| 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 | 32.3 | Very low | 68.9 | Low | 222 Ų | 222 | 93 Ų | 93 | 100% | 1.094 | 48% | 0.48 | S | S | * | . | 0 | 87.3 | 0 | -165 | 172.7 | -169.5 | 0 | 0 | 105.5 | |||||
| 2 | F | 39 | Very low | 71.3 | Confident | 194 Ų | 194 | 85.8 Ų | 85.8 | 85% | 0.851 | 44% | 0.442 | S | S | * | . | trans | -130.3 | 92.4 | 177.1 | -69 | -73.3 | 0 | 0 | 0 | 105.3 | ||||
| 3 | T | 39.8 | Very low | 73.2 | Confident | 133 Ų | 133 | 80.4 Ų | 80.4 | 82% | 0.816 | 42% | 0.418 | S | S | * | . | trans | -134.1 | 23.9 | 177 | 53.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 4 | E | 50.9 | Low | 74.8 | Confident | 179 Ų | 179 | 75.6 Ų | 75.6 | 84% | 0.836 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -96.6 | 126.9 | 162.8 | -71.6 | -177.7 | 167.1 | 0 | 0 | 106.6 | I6 | E4-I6 PolarHBondContact O-N 2.77Š|
| 5 | D | 58 | Low | 76.2 | Confident | 161 Ų | 161 | 72.7 Ų | 72.7 | 86% | 0.861 | 39% | 0.386 | S | S | * | . | trans | -52.1 | 106.8 | -179.7 | -73.9 | -43 | 0 | 0 | 0 | 109.6 | S7 | D5-S7 PolarHBondContact O-N 3.02Š| ||
| 6 | I | 60 | Low | 77.4 | Confident | 65 Ų | 65 | 71.3 Ų | 71.3 | 33% | 0.333 | 38% | 0.377 | S | S | . | . | trans | -66.6 | 106.8 | 179.4 | -69.4 | 166.2 | 0 | 0 | 0 | 107.2 | E4 A8 S116 | E4-I6 PolarHBondContact O-N 2.77Å; I6-A8 PolarHBondContact O-N 2.89Å; I6-S116 WeakPolarHBondContact CG2-OG 3.46Å | ||
| 7 | S | 88 | Confident | 78.6 | Confident | 66 Ų | 66 | 67.5 Ų | 67.5 | 46% | 0.462 | 36% | 0.358 | S | S | . | . | trans | -73.2 | 123.8 | 170.5 | -65.6 | 0 | 0 | 0 | 0 | 108.4 | D5 F115 S116 | D5-S7 PolarHBondContact O-N 3.02Å; S7-F115 WeakPolarHBondContact O-CA 3.37Å; S7-S116 PolarHBondContact O-N 3.35Å | ||
| 8 | A | 95.4 | Very high | 79.6 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.017 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I6 A23 S116 W401 | I6-A8 PolarHBondContact O-N 2.89Å; A8-A23 HydrophobicContact CB-CB 3.9Å; A8-A23 WeakPolarHBondContact O-CB 3.35Å; A8-A23 PolarHBondContact O-N 3.31Å; A8-S116 CarbonylContact C-O 3.58Å; A8-S116 VanDerWaalsContact CA-O 3.26Å; A8-S116 WeakPolarHBondContact CA-O 3.43Å; A8-W401 HydrophobicContact CB-CH2 3.85Å; A8-W401 HydrophobicContact CB-CZ2 3.89Å |
| 9 | V | 97.5 | Very high | 80.6 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132.7 | 173.6 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | F11 V20 G21 F22 V109 F115 S116 L118 | V9-F11 HydrophobicContact CB-CD2 4.48Å; V9-F11 HydrophobicContact CB-CE2 3.69Å; V9-F11 HydrophobicContact CB-CZ 3.96Å; V9-F11 HydrophobicContact CG1-CD1 4.48Å; V9-F11 HydrophobicContact CG1-CD2 4.05Å; V9-F11 HydrophobicContact CG1-CE1 3.92Å; V9-F11 HydrophobicContact CG1-CE2 3.42Å; V9-F11 VanDerWaalsContact CG1-CE2 3.42Å; V9-F11 HydrophobicContact CG1-CZ 3.34Å; V9-V20 HydrophobicContact CG1-CG1 3.53Å; V9-G21 WeakPolarHBondContact CA-O 3.3Å; V9-F22 HydrophobicContact CG2-CD1 3.79Å; V9-F22 HydrophobicContact CG2-CE1 3.82Å; V9-V109 HydrophobicContact CG1-CG2 4.11Å; V9-V109 HydrophobicContact CG2-CG1 3.67Å; V9-F115 HydrophobicContact CG2-CB 3.65Å; V9-F115 HydrophobicContact CG2-CD1 3.95Å; V9-F115 HydrophobicContact CG2-CD2 4.42Å; V9-F115 HydrophobicContact CG2-CG 3.75Å; V9-S116 PolarHBondContact N-O 3.06Å; V9-L118 PolarHBondContact O-N 3.34Å |
| 10 | V | 98.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.7 | -179 | 179.9 | 0 | 0 | 0 | 0 | 109 | V20 G21 L118 W385 S392 | V10-V20 WeakPolarHBondContact O-CA 3.06Å; V10-G21 PolarHBondContact N-O 2.98Å; V10-G21 PolarHBondContact O-N 3.31Å; V10-L118 WeakPolarHBondContact CA-O 3.3Å; V10-L118 HydrophobicContact CG1-CD2 4.04Å; V10-L118 HydrophobicContact CG2-CB 4.42Å; V10-W385 HydrophobicContact CG1-CG 4.3Å; V10-W385 PolarHBondContact O-NE1 3.22Å; V10-W385 VanDerWaalsContact O-NE1 3.15Å; V10-S392 WeakPolarHBondContact CG2-OG 3.37Å |
| 11 | F | 98.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.1 | -179.1 | -58.8 | -93.5 | 0 | 0 | 0 | 110 | V9 F18 V20 L101 V104 Y105 A117 L118 F119 T120 | V9-F11 HydrophobicContact CB-CD2 4.48Å; V9-F11 HydrophobicContact CB-CE2 3.69Å; V9-F11 HydrophobicContact CB-CZ 3.96Å; V9-F11 HydrophobicContact CG1-CD1 4.48Å; V9-F11 HydrophobicContact CG1-CD2 4.05Å; V9-F11 HydrophobicContact CG1-CE1 3.92Å; V9-F11 HydrophobicContact CG1-CE2 3.42Å; V9-F11 VanDerWaalsContact CG1-CE2 3.42Å; V9-F11 HydrophobicContact CG1-CZ 3.34Å; F11-F18 HydrophobicContact CB-CE2 4.01Å; F11-F18 HydrophobicContact CB-CZ 4.09Å; F11-F18 HydrophobicContact CD1-CE1 4.37Å; F11-F18 HydrophobicContact CD1-CE2 4.42Å; F11-F18 AromaticContact CD1-CZ 3.69Å; F11-F18 HydrophobicContact CD1-CZ 3.69Å; F11-F18 HydrophobicContact CG-CZ 4.36Å; F11-V20 HydrophobicContact CD1-CB 4.24Å; F11-V20 HydrophobicContact CD1-CG1 3.6Å; F11-V20 HydrophobicContact CD1-CG2 3.62Å; F11-V20 HydrophobicContact CE1-CG1 3.57Å; F11-V20 HydrophobicContact CE1-CG2 4.22Å; F11-V20 HydrophobicContact CG-CG1 4.34Å; F11-V20 HydrophobicContact CG-CG2 4.48Å; F11-V20 HydrophobicContact CZ-CG1 4.29Å; F11-L101 HydrophobicContact CD1-CD2 4.32Å; F11-L101 HydrophobicContact CE1-CD2 4.41Å; F11-V104 HydrophobicContact CE1-CG1 4.16Å; F11-Y105 AromaticContact CZ-CE1 3.9Å; F11-Y105 HydrophobicContact CZ-CE1 3.9Å; F11-Y105 HydrophobicContact CZ-CE2 4.34Å; F11-Y105 AromaticContact CZ-CZ 3.59Å; F11-Y105 VanDerWaalsContact CZ-OH 3.3Å; F11-Y105 WeakPolarHBondContact CZ-OH 3.32Å; F11-A117 HydrophobicContact CD2-CB 4.24Å; F11-A117 HydrophobicContact CE2-CB 3.8Å; F11-L118 PolarHBondContact N-O 3.32Å; F11-F119 HydrophobicContact CB-CD1 3.54Å; F11-F119 HydrophobicContact CB-CD2 3.84Å; F11-F119 HydrophobicContact CB-CE1 3.3Å; F11-F119 HydrophobicContact CB-CE2 3.63Å; F11-F119 HydrophobicContact CB-CG 3.8Å; F11-F119 HydrophobicContact CB-CZ 3.36Å; F11-F119 HydrophobicContact CD1-CE1 4.27Å; F11-F119 HydrophobicContact CD1-CE2 4.08Å; F11-F119 AromaticContact CD1-CZ 3.65Å; F11-F119 HydrophobicContact CD1-CZ 3.65Å; F11-F119 AromaticContact CD2-CD2 3.67Å; F11-F119 HydrophobicContact CD2-CD2 3.67Å; F11-F119 HydrophobicContact CD2-CE1 4.45Å; F11-F119 AromaticContact CD2-CE2 3.2Å; F11-F119 HydrophobicContact CD2-CE2 3.2Å; F11-F119 HydrophobicContact CD2-CG 4.47Å; F11-F119 AromaticContact CD2-CZ 3.66Å; F11-F119 HydrophobicContact CD2-CZ 3.66Å; F11-F119 HydrophobicContact CE1-CZ 4.3Å; F11-F119 HydrophobicContact CE2-CD2 4.49Å; F11-F119 AromaticContact CE2-CE2 3.78Å; F11-F119 HydrophobicContact CE2-CE2 3.78Å; F11-F119 HydrophobicContact CE2-CZ 4.31Å; F11-F119 HydrophobicContact CG-CD1 4.36Å; F11-F119 AromaticContact CG-CD2 3.98Å; F11-F119 HydrophobicContact CG-CD2 3.98Å; F11-F119 AromaticContact CG-CE1 3.8Å; F11-F119 HydrophobicContact CG-CE1 3.8Å; F11-F119 AromaticContact CG-CE2 3.37Å; F11-F119 HydrophobicContact CG-CE2 3.37Å; F11-F119 HydrophobicContact CG-CG 4.44Å; F11-F119 AromaticContact CG-CZ 3.27Å; F11-F119 HydrophobicContact CG-CZ 3.27Å; F11-F119 HydrophobicContact CZ-CE2 4.42Å; F11-F119 CarbonylContact O-C 3.56Å; F11-F119 WeakPolarHBondContact O-CA 3.35Å; F11-T120 PolarHBondContact O-N 3.38Å |
| 12 | D | 97.9 | Very high | 85.2 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 103.1 | 177.2 | 179 | 34.4 | 0 | 0 | 0 | 111.7 | G14 F18 R19 T120 W385 | D12-G14 PolarHBondContact O-N 3.49Å; D12-F18 WeakPolarHBondContact O-CA 3.31Å; D12-F18 WeakPolarHBondContact O-CD2 3.3Å; D12-R19 HydrophobicContact CB-CB 4.28Å; D12-R19 PolarHBondContact N-O 3Å; D12-R19 PolarHBondContact O-N 3.43Å; D12-R19 WeakPolarHBondContact OD2-CD 3.37Å; D12-R19 IonicContact OD2-CZ 2.74Å; D12-R19 IonicContact OD2-NE 3.54Å; D12-R19 IonicContact OD2-NH1 2.87Å; D12-R19 PolarHBondContact OD2-NH1 3.07Å; D12-T120 VanDerWaalsContact CA-OG1 3.32Å; D12-T120 WeakPolarHBondContact CA-OG1 3.45Å; D12-T120 HydrophobicContact CB-CG2 3.78Å; D12-T120 WeakPolarHBondContact OD1-CB 3.36Å; D12-T120 WeakPolarHBondContact OD1-CG2 3.12Å; D12-T120 PolarHBondContact OD1-OG1 2.95Å; D12-W385 HydrophobicContact CB-CB 3.78Å; D12-W385 HydrophobicContact CB-CG 4.3Å |
| 13 | A | 96.1 | Very high | 87.9 | Confident | 16 Ų | 16 | 40 Ų | 40 | 13% | 0.132 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 78.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F18 L86 T120 | A13-F18 HydrophobicContact CB-CD2 4.11Å; A13-F18 HydrophobicContact CB-CE2 4.12Å; A13-L86 HydrophobicContact CB-CD2 4.48Å; A13-T120 PolarHBondContact N-OG1 2.99Å |
| 14 | G | 95.9 | Very high | 90.5 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 13% | 0.134 | 21% | 0.207 | C | C | . | . | trans | -80.4 | 153.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D12 H16 T17 T34 | D12-G14 PolarHBondContact O-N 3.49Å; G14-H16 PolarHBondContact O-N 3.48Å; G14-T17 CarbonylContact C-O 3.56Å; G14-T17 VanDerWaalsContact CA-O 3.25Å; G14-T17 WeakPolarHBondContact CA-O 3.34Å; G14-T17 PolarHBondContact N-O 2.92Å; G14-T17 VanDerWaalsContact N-O 3.13Å; G14-T34 WeakPolarHBondContact O-CB 3.49Å; G14-T34 WeakPolarHBondContact O-CG2 3.29Å; G14-T34 PolarHBondContact O-OG1 2.69Å | ||
| 15 | S | 96.1 | Very high | 92.5 | Very high | 32 Ų | 32 | 30.6 Ų | 30.6 | 22% | 0.224 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -66.6 | -18.8 | 178.7 | -54 | 0 | 0 | 0 | 0 | 114.8 | T172 | S15-T172 WeakPolarHBondContact CB-OG1 2.83Å; S15-T172 PolarHBondContact OG-OG1 2.95Å |
| 16 | H | 95.8 | Very high | 94.1 | Very high | 50 Ų | 50 | 30.3 Ų | 30.3 | 23% | 0.231 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -108.1 | -44.8 | 178.8 | -179.6 | 73.9 | 0 | 0 | 0 | 112.4 | G14 T34 A171 E257 | G14-H16 PolarHBondContact O-N 3.48Å; H16-T34 PolarHBondContact O-N 3.4Å; H16-A171 HydrophobicContact CB-CB 3.5Å; H16-A171 VanDerWaalsContact CB-CB 3.5Å; H16-E257 IonicContact CE1-OE1 3.35Å; H16-E257 PolarHBondContact CE1-OE1 2.88Å; H16-E257 VanDerWaalsContact CE1-OE1 3.25Å; H16-E257 IonicContact CE1-OE2 3.61Å; H16-E257 PolarHBondContact CE1-OE2 3.03Å; H16-E257 IonicContact ND1-OE1 3.7Å |
| 17 | T | 96.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 29 Ų | 29 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 148.7 | 174.5 | 66.6 | 0 | 0 | 0 | 0 | 113.3 | G14 R19 D31 L32 T34 | G14-T17 CarbonylContact C-O 3.56Å; G14-T17 VanDerWaalsContact CA-O 3.25Å; G14-T17 WeakPolarHBondContact CA-O 3.34Å; G14-T17 PolarHBondContact N-O 2.92Å; G14-T17 VanDerWaalsContact N-O 3.13Å; T17-R19 PolarHBondContact O-NE 3.38Å; T17-R19 VanDerWaalsContact OG1-CZ 3.29Å; T17-R19 PolarHBondContact OG1-NE 2.78Å; T17-R19 PolarHBondContact OG1-NH2 3.24Å; T17-D31 WeakPolarHBondContact CB-OD1 3.43Å; T17-D31 PolarHBondContact OG1-OD1 3.02Å; T17-L32 CarbonylContact C-O 3.52Å; T17-L32 WeakPolarHBondContact CA-O 3.42Å; T17-L32 WeakPolarHBondContact CB-O 3.28Å; T17-T34 WeakPolarHBondContact CA-OG1 3.27Å; T17-T34 PolarHBondContact N-OG1 3.42Å; T17-T34 PolarHBondContact O-OG1 2.69Å |
| 18 | F | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 114.6 | 175 | -175.8 | -135.4 | 0 | 0 | 0 | 108.7 | F11 D12 A13 V20 L32 T34 F97 I100 L101 V104 F119 | F11-F18 HydrophobicContact CB-CE2 4.01Å; F11-F18 HydrophobicContact CB-CZ 4.09Å; F11-F18 HydrophobicContact CD1-CE1 4.37Å; F11-F18 HydrophobicContact CD1-CE2 4.42Å; F11-F18 AromaticContact CD1-CZ 3.69Å; F11-F18 HydrophobicContact CD1-CZ 3.69Å; F11-F18 HydrophobicContact CG-CZ 4.36Å; D12-F18 WeakPolarHBondContact O-CA 3.31Å; D12-F18 WeakPolarHBondContact O-CD2 3.3Å; A13-F18 HydrophobicContact CB-CD2 4.11Å; A13-F18 HydrophobicContact CB-CE2 4.12Å; F18-V20 HydrophobicContact CD1-CG2 3.96Å; F18-V20 HydrophobicContact CE1-CG2 3.65Å; F18-V20 HydrophobicContact CE2-CG2 4.25Å; F18-V20 HydrophobicContact CG-CG2 4.4Å; F18-V20 HydrophobicContact CZ-CG2 3.83Å; F18-L32 PolarHBondContact N-O 2.64Å; F18-L32 PolarHBondContact O-N 2.99Å; F18-T34 PolarHBondContact N-OG1 3.21Å; F18-T34 VanDerWaalsContact N-OG1 3.13Å; F18-F97 HydrophobicContact CE2-CZ 4.39Å; F18-F97 HydrophobicContact CZ-CZ 4.35Å; F18-I100 HydrophobicContact CD1-CG2 3.54Å; F18-I100 HydrophobicContact CE1-CG2 3.89Å; F18-I100 HydrophobicContact CG-CG2 4.46Å; F18-L101 HydrophobicContact CE1-CD2 3.85Å; F18-L101 HydrophobicContact CZ-CD2 3.58Å; F18-V104 HydrophobicContact CD1-CG2 4.11Å; F18-V104 HydrophobicContact CE1-CG2 3.92Å; F18-F119 HydrophobicContact CE2-CE1 4.1Å; F18-F119 HydrophobicContact CZ-CE1 4.06Å; F18-F119 HydrophobicContact CZ-CZ 4.4Å |
| 19 | R | 97.5 | Very high | 96 | Very high | 30 Ų | 30 | 32 Ų | 32 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132.6 | -176.7 | -48.5 | 101.9 | -165.8 | -171 | 3.2 | 110.7 | D12 T17 P28 I30 D31 F382 W385 | D12-R19 HydrophobicContact CB-CB 4.28Å; D12-R19 PolarHBondContact N-O 3Å; D12-R19 PolarHBondContact O-N 3.43Å; D12-R19 WeakPolarHBondContact OD2-CD 3.37Å; D12-R19 IonicContact OD2-CZ 2.74Å; D12-R19 IonicContact OD2-NE 3.54Å; D12-R19 IonicContact OD2-NH1 2.87Å; D12-R19 PolarHBondContact OD2-NH1 3.07Å; T17-R19 PolarHBondContact O-NE 3.38Å; T17-R19 VanDerWaalsContact OG1-CZ 3.29Å; T17-R19 PolarHBondContact OG1-NE 2.78Å; T17-R19 PolarHBondContact OG1-NH2 3.24Å; R19-P28 HydrophobicContact CB-CB 3.82Å; R19-P28 HydrophobicContact CB-CG 4.06Å; R19-P28 HydrophobicContact CG-CG 4.43Å; R19-I30 WeakPolarHBondContact CA-O 3.49Å; R19-D31 HydrophobicContact CG-CB 4.46Å; R19-D31 WeakPolarHBondContact CG-OD1 3.22Å; R19-D31 IonicContact NE-OD1 3.61Å; R19-F382 HydrophobicContact CG-CD1 3.96Å; R19-F382 HydrophobicContact CG-CE1 3.87Å; R19-F382 HydrophobicContact CG-CZ 4.48Å; R19-W385 HydrophobicContact CB-CG 4.31Å |
| 20 | V | 98 | Very high | 95.9 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137.1 | -178 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | V9 V10 F11 F18 P28 K29 I30 V104 V109 | V9-V20 HydrophobicContact CG1-CG1 3.53Å; V10-V20 WeakPolarHBondContact O-CA 3.06Å; F11-V20 HydrophobicContact CD1-CB 4.24Å; F11-V20 HydrophobicContact CD1-CG1 3.6Å; F11-V20 HydrophobicContact CD1-CG2 3.62Å; F11-V20 HydrophobicContact CE1-CG1 3.57Å; F11-V20 HydrophobicContact CE1-CG2 4.22Å; F11-V20 HydrophobicContact CG-CG1 4.34Å; F11-V20 HydrophobicContact CG-CG2 4.48Å; F11-V20 HydrophobicContact CZ-CG1 4.29Å; F18-V20 HydrophobicContact CD1-CG2 3.96Å; F18-V20 HydrophobicContact CE1-CG2 3.65Å; F18-V20 HydrophobicContact CE2-CG2 4.25Å; F18-V20 HydrophobicContact CG-CG2 4.4Å; F18-V20 HydrophobicContact CZ-CG2 3.83Å; V20-P28 CarbonylContact O-C 3.59Å; V20-K29 WeakPolarHBondContact O-CA 3.21Å; V20-K29 WeakPolarHBondContact O-CB 3.29Å; V20-K29 PolarHBondContact O-N 3.02Å; V20-I30 HydrophobicContact CB-CG2 3.96Å; V20-I30 PolarHBondContact N-O 3.11Å; V20-I30 PolarHBondContact O-N 3.41Å; V20-V104 HydrophobicContact CB-CG1 3.97Å; V20-V104 HydrophobicContact CG1-CG1 3.72Å; V20-V104 HydrophobicContact CG2-CG1 3.89Å; V20-V104 HydrophobicContact CG2-CG2 4.25Å; V20-V109 HydrophobicContact CG1-CG2 4.16Å |
| 21 | G | 97.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.6 | 179.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | V9 V10 | V9-G21 WeakPolarHBondContact CA-O 3.3Å; V10-G21 PolarHBondContact N-O 2.98Å; V10-G21 PolarHBondContact O-N 3.31Å |
| 22 | F | 96.4 | Very high | 95.6 | Very high | 47 Ų | 47 | 35.6 Ų | 35.6 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 151.5 | -177.3 | -60.3 | -79.4 | 0 | 0 | 0 | 111.4 | V9 G24 D25 K29 V109 F115 | V9-F22 HydrophobicContact CG2-CD1 3.79Å; V9-F22 HydrophobicContact CG2-CE1 3.82Å; F22-G24 PolarHBondContact O-N 3.15Å; F22-D25 PolarHBondContact N-OD2 3.04Å; F22-D25 WeakPolarHBondContact O-CB 3.32Å; F22-D25 PolarHBondContact O-N 2.69Å; F22-K29 HydrophobicContact CD2-CD 4.25Å; F22-K29 HydrophobicContact CE2-CD 3.65Å; F22-V109 HydrophobicContact CE1-CG1 4.24Å; F22-V109 HydrophobicContact CZ-CG1 4.49Å; F22-F115 HydrophobicContact CD1-CD1 4.4Å; F22-F115 HydrophobicContact CD1-CE1 4.19Å; F22-F115 HydrophobicContact CE1-CD1 4.13Å; F22-F115 AromaticContact CE1-CE1 3.7Å; F22-F115 HydrophobicContact CE1-CE1 3.7Å; F22-F115 AromaticContact CE1-CZ 3.97Å; F22-F115 HydrophobicContact CE1-CZ 3.97Å |
| 23 | A | 95.5 | Very high | 95.5 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 132.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A8 S392 | A8-A23 HydrophobicContact CB-CB 3.9Å; A8-A23 WeakPolarHBondContact O-CB 3.35Å; A8-A23 PolarHBondContact O-N 3.31Å; A23-S392 WeakPolarHBondContact CB-OG 3.38Å |
| 24 | G | 93.1 | Very high | 95.6 | Very high | 46 Ų | 46 | 35.5 Ų | 35.5 | 47% | 0.474 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -8.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F22 S389 | F22-G24 PolarHBondContact O-N 3.15Å; G24-S389 PolarHBondContact N-O 3.13Å; G24-S389 PolarHBondContact N-OG 3.33Å |
| 25 | D | 94.1 | Very high | 95.6 | Very high | 70 Ų | 70 | 36.1 Ų | 36.1 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | trans | -73.7 | 145.4 | 171.8 | -72.1 | -17.2 | 0 | 0 | 0 | 110.8 | F22 A27 W385 S389 | F22-D25 PolarHBondContact N-OD2 3.04Å; F22-D25 WeakPolarHBondContact O-CB 3.32Å; F22-D25 PolarHBondContact O-N 2.69Å; D25-A27 VanDerWaalsContact C-N 3.31Å; D25-A27 PolarHBondContact O-N 3.23Å; D25-W385 HydrophobicContact CB-CH2 3.98Å; D25-W385 WeakPolarHBondContact O-CH2 3.46Å; D25-S389 PolarHBondContact N-OG 2.97Å; D25-S389 PolarHBondContact O-OG 3.48Å | ||
| 26 | D | 90.3 | Very high | 95.5 | Very high | 154 Ų | 154 | 34.6 Ų | 34.6 | 82% | 0.824 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -73.1 | -22.1 | 178.4 | -66.7 | -37.1 | 0 | 0 | 0 | 113.2 | ||
| 27 | A | 92.8 | Very high | 95.5 | Very high | 37 Ų | 37 | 32.2 Ų | 32.2 | 31% | 0.306 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -148 | 152.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D25 K29 L378 W385 | D25-A27 VanDerWaalsContact C-N 3.31Å; D25-A27 PolarHBondContact O-N 3.23Å; A27-K29 PolarHBondContact O-N 3.29Å; A27-L378 HydrophobicContact CB-CD2 3.71Å; A27-W385 VanDerWaalsContact CA-CZ3 3.44Å; A27-W385 WeakPolarHBondContact O-CH2 3.37Å |
| 28 | P | 96 | Very high | 95.5 | Very high | 19 Ų | 19 | 33 Ų | 33 | 12% | 0.123 | 19% | 0.188 | C | C | . | . | trans | -62.2 | 138.3 | 177.2 | 26.2 | -33.4 | 0 | 0 | 0 | 110.5 | R19 V20 I30 F382 W385 | R19-P28 HydrophobicContact CB-CB 3.82Å; R19-P28 HydrophobicContact CB-CG 4.06Å; R19-P28 HydrophobicContact CG-CG 4.43Å; V20-P28 CarbonylContact O-C 3.59Å; P28-I30 PolarHBondContact O-N 3.32Å; P28-F382 HydrophobicContact CG-CD2 3.62Å; P28-F382 HydrophobicContact CG-CE2 3.54Å; P28-F382 HydrophobicContact CG-CG 4.29Å; P28-F382 HydrophobicContact CG-CZ 4.21Å; P28-W385 VanDerWaalsContact CA-CZ2 3.47Å; P28-W385 HydrophobicContact CB-CD2 3.87Å; P28-W385 HydrophobicContact CB-CE3 4.34Å; P28-W385 HydrophobicContact CB-CG 4.3Å; P28-W385 HydrophobicContact CB-CZ2 4.09Å; P28-W385 HydrophobicContact CG-CD2 4.31Å; P28-W385 HydrophobicContact CG-CE3 4.42Å | ||
| 29 | K | 95.2 | Very high | 95.2 | Very high | 113 Ų | 113 | 33.1 Ų | 33.1 | 49% | 0.491 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -61.3 | -32.2 | 175 | -175.2 | 168.5 | -175.8 | -179.4 | 0 | 111.9 | V20 F22 A27 Y108 | V20-K29 WeakPolarHBondContact O-CA 3.21Å; V20-K29 WeakPolarHBondContact O-CB 3.29Å; V20-K29 PolarHBondContact O-N 3.02Å; F22-K29 HydrophobicContact CD2-CD 4.25Å; F22-K29 HydrophobicContact CE2-CD 3.65Å; A27-K29 PolarHBondContact O-N 3.29Å; K29-Y108 WeakPolarHBondContact CD-O 3.49Å; K29-Y108 WeakPolarHBondContact CE-O 3.01Å; K29-Y108 PolarHBondContact NZ-O 3.46Å |
| 30 | I | 95.8 | Very high | 94.7 | Very high | 31 Ų | 31 | 36.1 Ų | 36.1 | 16% | 0.159 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 141.2 | 175.7 | -164.7 | 67.4 | 0 | 0 | 0 | 111.9 | R19 V20 P28 L32 Y108 | R19-I30 WeakPolarHBondContact CA-O 3.49Å; V20-I30 HydrophobicContact CB-CG2 3.96Å; V20-I30 PolarHBondContact N-O 3.11Å; V20-I30 PolarHBondContact O-N 3.41Å; P28-I30 PolarHBondContact O-N 3.32Å; I30-L32 HydrophobicContact CD1-CD2 4.05Å; I30-L32 HydrophobicContact CD1-CG 4.49Å; I30-L32 HydrophobicContact CG1-CD1 4.1Å; I30-L32 HydrophobicContact CG1-CD2 3.57Å; I30-L32 HydrophobicContact CG1-CG 3.53Å; I30-L32 HydrophobicContact CG2-CD1 4.33Å; I30-L32 HydrophobicContact CG2-CG 4.4Å; I30-Y108 HydrophobicContact CB-CD1 4.01Å; I30-Y108 HydrophobicContact CB-CD2 4.4Å; I30-Y108 HydrophobicContact CB-CE1 4.18Å; I30-Y108 HydrophobicContact CB-CG 4.13Å; I30-Y108 HydrophobicContact CD1-CD1 4.2Å; I30-Y108 HydrophobicContact CD1-CE1 3.5Å; I30-Y108 HydrophobicContact CD1-CE2 4.36Å; I30-Y108 HydrophobicContact CG1-CD1 4.16Å; I30-Y108 HydrophobicContact CG1-CD2 4.3Å; I30-Y108 HydrophobicContact CG1-CE1 3.82Å; I30-Y108 HydrophobicContact CG1-CE2 3.96Å; I30-Y108 HydrophobicContact CG1-CG 4.38Å; I30-Y108 HydrophobicContact CG2-CD1 4.45Å; I30-Y108 HydrophobicContact CG2-CD2 4.13Å; I30-Y108 HydrophobicContact CG2-CG 4.06Å |
| 31 | D | 95.5 | Very high | 94 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 98.6 | 171.3 | -178.4 | 33.6 | 0 | 0 | 0 | 107.7 | T17 R19 R381 F382 | T17-D31 WeakPolarHBondContact CB-OD1 3.43Å; T17-D31 PolarHBondContact OG1-OD1 3.02Å; R19-D31 HydrophobicContact CG-CB 4.46Å; R19-D31 WeakPolarHBondContact CG-OD1 3.22Å; R19-D31 IonicContact NE-OD1 3.61Å; D31-R381 IonicContact OD1-NH2 3.29Å; D31-R381 IonicContact OD2-CZ 2.91Å; D31-R381 IonicContact OD2-NH1 2.7Å; D31-R381 PolarHBondContact OD2-NH1 3.27Å; D31-R381 IonicContact OD2-NH2 3.82Å; D31-R381 PolarHBondContact OD2-NH2 2.95Å; D31-F382 HydrophobicContact CB-CZ 4.21Å |
| 32 | L | 94.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 148.8 | -175.7 | -63.8 | 167.5 | 0 | 0 | 0 | 110.7 | T17 F18 I30 T34 Y103 V104 Y108 | T17-L32 CarbonylContact C-O 3.52Å; T17-L32 WeakPolarHBondContact CA-O 3.42Å; T17-L32 WeakPolarHBondContact CB-O 3.28Å; F18-L32 PolarHBondContact N-O 2.64Å; F18-L32 PolarHBondContact O-N 2.99Å; I30-L32 HydrophobicContact CD1-CD2 4.05Å; I30-L32 HydrophobicContact CD1-CG 4.49Å; I30-L32 HydrophobicContact CG1-CD1 4.1Å; I30-L32 HydrophobicContact CG1-CD2 3.57Å; I30-L32 HydrophobicContact CG1-CG 3.53Å; I30-L32 HydrophobicContact CG2-CD1 4.33Å; I30-L32 HydrophobicContact CG2-CG 4.4Å; L32-T34 PolarHBondContact O-N 3.14Å; L32-Y103 HydrophobicContact CD1-CD1 3.75Å; L32-Y103 HydrophobicContact CD1-CE1 3.58Å; L32-Y103 HydrophobicContact CD2-CE1 3.94Å; L32-Y103 HydrophobicContact CG-CE1 4.42Å; L32-V104 HydrophobicContact CD1-CG2 3.68Å; L32-Y108 HydrophobicContact CD1-CE2 4.34Å |
| 33 | P | 96.2 | Very high | 91.7 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 133.6 | 164.2 | -25.6 | 37.1 | 0 | 0 | 0 | 111.2 | F35 I73 | P33-F35 HydrophobicContact CB-CD1 4.05Å; P33-F35 HydrophobicContact CB-CD2 4.23Å; P33-F35 HydrophobicContact CB-CE1 3.74Å; P33-F35 HydrophobicContact CB-CE2 3.95Å; P33-F35 HydrophobicContact CB-CG 4.3Å; P33-F35 HydrophobicContact CB-CZ 3.7Å; P33-F35 HydrophobicContact CG-CZ 4.39Å; P33-F35 PolarHBondContact O-N 3.17Å; P33-I73 HydrophobicContact CB-CD1 3.87Å; P33-I73 HydrophobicContact CG-CD1 3.63Å |
| 34 | T | 96.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -74.5 | -12.6 | 176.7 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | G14 H16 T17 F18 L32 P85 L86 I100 | G14-T34 WeakPolarHBondContact O-CB 3.49Å; G14-T34 WeakPolarHBondContact O-CG2 3.29Å; G14-T34 PolarHBondContact O-OG1 2.69Å; H16-T34 PolarHBondContact O-N 3.4Å; T17-T34 WeakPolarHBondContact CA-OG1 3.27Å; T17-T34 PolarHBondContact N-OG1 3.42Å; T17-T34 PolarHBondContact O-OG1 2.69Å; F18-T34 PolarHBondContact N-OG1 3.21Å; F18-T34 VanDerWaalsContact N-OG1 3.13Å; L32-T34 PolarHBondContact O-N 3.14Å; T34-P85 HydrophobicContact CG2-CG 4.48Å; T34-P85 WeakPolarHBondContact O-CD 3.44Å; T34-L86 HydrophobicContact CG2-CD1 3.72Å; T34-L86 HydrophobicContact CG2-CD2 4.12Å; T34-L86 HydrophobicContact CG2-CG 4.33Å; T34-I100 WeakPolarHBondContact O-CD1 3.25Å |
| 35 | F | 95.7 | Very high | 89.1 | Confident | 26 Ų | 26 | 59 Ų | 59 | 11% | 0.114 | 31% | 0.311 | C | S | . | . | trans | -95.5 | 152.4 | 176.6 | 53.8 | -91.4 | 0 | 0 | 0 | 112 | P33 I73 I82 A83 C250 | P33-F35 HydrophobicContact CB-CD1 4.05Å; P33-F35 HydrophobicContact CB-CD2 4.23Å; P33-F35 HydrophobicContact CB-CE1 3.74Å; P33-F35 HydrophobicContact CB-CE2 3.95Å; P33-F35 HydrophobicContact CB-CG 4.3Å; P33-F35 HydrophobicContact CB-CZ 3.7Å; P33-F35 HydrophobicContact CG-CZ 4.39Å; P33-F35 PolarHBondContact O-N 3.17Å; F35-I73 HydrophobicContact CD2-CD1 4.23Å; F35-I73 HydrophobicContact CE2-CD1 3.65Å; F35-I73 HydrophobicContact CZ-CD1 4.37Å; F35-I82 HydrophobicContact CB-CG2 4.1Å; F35-I82 HydrophobicContact CD2-CG2 3.69Å; F35-I82 HydrophobicContact CE2-CG2 4.49Å; F35-I82 HydrophobicContact CG-CG2 4.19Å; F35-A83 CarbonylContact C-O 3.21Å; F35-A83 WeakPolarHBondContact CA-O 3.46Å; F35-A83 VanDerWaalsContact CB-O 3.24Å; F35-A83 WeakPolarHBondContact CB-O 3.36Å; F35-C250 WeakPolarHBondContact CE2-SG 3.44Å | ||
| 36 | V | 95.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 157.4 | -176.4 | -51.8 | 0 | 0 | 0 | 0 | 111 | V38 Y66 I68 I82 A83 M96 I100 | V36-V38 HydrophobicContact CG2-CG2 3.94Å; V36-Y66 HydrophobicContact CG2-CD1 4.38Å; V36-I68 HydrophobicContact CB-CG1 4.34Å; V36-I68 HydrophobicContact CG1-CD1 4.48Å; V36-I68 HydrophobicContact CG1-CG1 3.89Å; V36-I68 HydrophobicContact CG1-CG2 4.45Å; V36-I82 WeakPolarHBondContact O-CA 3.34Å; V36-A83 PolarHBondContact N-O 3.47Å; V36-A83 PolarHBondContact O-N 3.49Å; V36-M96 HydrophobicContact CG1-CG 4.37Å; V36-M96 HydrophobicContact CG2-CE 4.11Å; V36-M96 HydrophobicContact CG2-CG 3.68Å; V36-M96 HydrophobicContact CG2-SD 3.51Å; V36-M96 VanDerWaalsContact CG2-SD 3.51Å; V36-I100 HydrophobicContact CG1-CD1 3.76Å; V36-I100 HydrophobicContact CG1-CG1 3.74Å |
| 37 | G | 95.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 123 | 166 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y66 Y67 K81 | G37-Y66 CarbonylContact O-C 3.48Å; G37-Y66 WeakPolarHBondContact O-CA 3.33Å; G37-Y67 PolarHBondContact N-O 3.08Å; G37-Y67 WeakPolarHBondContact O-CD2 3.33Å; G37-Y67 PolarHBondContact O-N 3.39Å; G37-K81 CarbonylContact C-O 3.53Å; G37-K81 WeakPolarHBondContact CA-O 3.4Å |
| 38 | V | 95.6 | Very high | 83.8 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 106.9 | 175.5 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | V36 S65 Y66 M80 K81 A83 M96 | V36-V38 HydrophobicContact CG2-CG2 3.94Å; V38-S65 WeakPolarHBondContact CA-O 3.37Å; V38-Y66 HydrophobicContact CG1-CD1 4.32Å; V38-Y66 HydrophobicContact CG1-CE1 4.12Å; V38-Y66 HydrophobicContact CG2-CD1 4.03Å; V38-Y66 HydrophobicContact CG2-CE1 4.17Å; V38-M80 CarbonylContact O-C 3.54Å; V38-M80 WeakPolarHBondContact O-CA 3.44Å; V38-K81 PolarHBondContact N-O 3.14Å; V38-K81 PolarHBondContact O-N 3.46Å; V38-A83 HydrophobicContact CG2-CB 3.89Å; V38-M96 HydrophobicContact CG2-CE 4.05Å |
| 39 | G | 92.2 | Very high | 81.6 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 172.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S65 | G39-S65 PolarHBondContact N-O 2.7Å; G39-S65 PolarHBondContact O-N 3.07Å |
| 40 | P | 86.7 | Confident | 78.9 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 60% | 0.597 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 145.4 | 172.7 | 27.7 | -34 | 0 | 0 | 0 | 110.5 | ||
| 41 | R | 83.2 | Confident | 76.3 | Confident | 162 Ų | 162 | 69.4 Ų | 69.4 | 61% | 0.611 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 131 | 174.2 | -169.3 | 170.3 | -178 | 160.4 | 1.4 | 109.3 | V60 | R41-V60 HydrophobicContact CG-CG1 4.02Š|
| 42 | P | 74.1 | Confident | 74 | Confident | 36 Ų | 36 | 76.4 Ų | 76.4 | 23% | 0.234 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 142.7 | 175.9 | 29.9 | -36.4 | 0 | 0 | 0 | 109.5 | N44 P45 Q58 S65 | P42-N44 VanDerWaalsContact C-N 3.26Å; P42-N44 PolarHBondContact O-N 2.9Å; P42-P45 HydrophobicContact CG-CB 4.42Å; P42-Q58 VanDerWaalsContact CD-NE2 3.33Å; P42-S65 WeakPolarHBondContact CD-OG 3.47Å |
| 43 | E | 72 | Confident | 71.9 | Confident | 193 Ų | 193 | 78.5 Ų | 78.5 | 90% | 0.902 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -60.8 | -40.2 | 173.3 | -67 | -177.1 | 173.8 | 0 | 0 | 111 | ||
| 44 | N | 67.5 | Low | 69.8 | Low | 139 Ų | 139 | 85.4 Ų | 85.4 | 74% | 0.743 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -120.5 | 103.7 | 172.9 | -65.1 | -46.8 | 0 | 0 | 0 | 108.6 | P42 | P42-N44 VanDerWaalsContact C-N 3.26Å; P42-N44 PolarHBondContact O-N 2.9Å |
| 45 | P | 65.3 | Low | 67.9 | Low | 74 Ų | 74 | 88.6 Ų | 88.6 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 134.6 | 173.7 | -20.6 | 30.8 | 0 | 0 | 0 | 109.6 | P42 G47 V60 | P42-P45 HydrophobicContact CG-CB 4.42Å; P45-G47 PolarHBondContact O-N 3.32Å; P45-G47 VanDerWaalsContact O-N 3.13Å; P45-V60 HydrophobicContact CB-CG2 4.37Å |
| 46 | P | 57.5 | Low | 66.3 | Low | 67 Ų | 67 | 88.7 Ų | 88.7 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 123.8 | 174.9 | 22.6 | -30 | 0 | 0 | 0 | 108.8 | V55 | P46-V55 HydrophobicContact CB-CG1 4.48Å; P46-V55 HydrophobicContact CG-CG1 4.49Å |
| 47 | G | 54.7 | Low | 65 | Low | 47 Ų | 47 | 91 Ų | 91 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 140.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | P45 G49 | P45-G47 PolarHBondContact O-N 3.32Å; P45-G47 VanDerWaalsContact O-N 3.13Å; G47-G49 VanDerWaalsContact C-N 3.3Å; G47-G49 PolarHBondContact O-N 3.11Å |
| 48 | K | 53.3 | Low | 64 | Low | 197 Ų | 197 | 93.2 Ų | 93.2 | 86% | 0.857 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 93.3 | 172.3 | -71.5 | -171.4 | 175.5 | -170.1 | 0 | 108.2 | ||
| 49 | G | 50.2 | Low | 63.4 | Low | 77 Ų | 77 | 93.4 Ų | 93.4 | 79% | 0.794 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.3 | 8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | G47 | G47-G49 VanDerWaalsContact C-N 3.3Å; G47-G49 PolarHBondContact O-N 3.11Å |
| 50 | E | 39.5 | Very low | 63.2 | Low | 184 Ų | 184 | 95.4 Ų | 95.4 | 86% | 0.86 | 53% | 0.526 | S | S | * | . | trans | -109.6 | 32 | -172.2 | -70.5 | -166.4 | 164.6 | 0 | 0 | 117.2 | ||||
| 51 | S | 41.6 | Very low | 63.1 | Low | 69 Ų | 69 | 91.2 Ų | 91.2 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | trans | -142.7 | 131 | 166.9 | 67.1 | 0 | 0 | 0 | 0 | 113.8 | G53 V55 | S51-G53 PolarHBondContact O-N 3.31Å; S51-V55 WeakPolarHBondContact OG-CG2 3.23Å | ||
| 52 | N | 46.8 | Very low | 63.3 | Low | 191 Ų | 191 | 91 Ų | 91 | 100% | 1.021 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -67.9 | 25.4 | 175.8 | -76.8 | -17.6 | 0 | 0 | 0 | 114.2 | ||
| 53 | G | 49.8 | Very low | 63.7 | Low | 47 Ų | 47 | 94.5 Ų | 94.5 | 49% | 0.485 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -136.1 | 162.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S51 V55 | S51-G53 PolarHBondContact O-N 3.31Å; G53-V55 PolarHBondContact O-N 3.43Å |
| 54 | Y | 53.1 | Low | 64.6 | Low | 163 Ų | 163 | 85.5 Ų | 85.5 | 64% | 0.639 | 48% | 0.481 | S | S | * | . | trans | -59 | 106.3 | 172.6 | 176.8 | -99.1 | 0 | 0 | 0 | 109.6 | P56 | Y54-P56 HydrophobicContact CE1-CB 4.01Å; Y54-P56 WeakPolarHBondContact O-CD 3.1Å | ||
| 55 | V | 56 | Low | 65.7 | Low | 68 Ų | 68 | 78.9 Ų | 78.9 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | trans | -89.4 | 110.7 | 168.8 | -169.5 | 0 | 0 | 0 | 0 | 106.6 | P46 S51 G53 Y57 | P46-V55 HydrophobicContact CB-CG1 4.48Å; P46-V55 HydrophobicContact CG-CG1 4.49Å; S51-V55 WeakPolarHBondContact OG-CG2 3.23Å; G53-V55 PolarHBondContact O-N 3.43Å; V55-Y57 PolarHBondContact O-N 3.32Å | ||
| 56 | P | 61.6 | Low | 67.1 | Low | 27 Ų | 27 | 75.4 Ų | 75.4 | 18% | 0.175 | 42% | 0.423 | C | S | . | . | trans | -57.5 | 135.1 | 171.7 | 22.6 | -29.7 | 0 | 0 | 0 | 108.5 | Y54 Q58 P72 | Y54-P56 HydrophobicContact CE1-CB 4.01Å; Y54-P56 WeakPolarHBondContact O-CD 3.1Å; P56-Q58 PolarHBondContact O-N 2.95Å; P56-P72 HydrophobicContact CB-CB 4.12Å; P56-P72 HydrophobicContact CB-CG 3.95Å | ||
| 57 | Y | 68.3 | Low | 68.9 | Low | 49 Ų | 49 | 73.5 Ų | 73.5 | 19% | 0.192 | 41% | 0.407 | C | S | . | . | trans | -52.6 | 129.9 | 177.3 | -176.7 | -88.3 | 0 | 0 | 0 | 109.9 | V55 H59 I68 Y103 D106 | V55-Y57 PolarHBondContact O-N 3.32Å; Y57-H59 HydrophobicContact CE1-CB 3.94Å; Y57-I68 HydrophobicContact CD1-CB 4.45Å; Y57-I68 HydrophobicContact CE1-CD1 4.43Å; Y57-Y103 AromaticContact CD1-CD2 3.35Å; Y57-Y103 HydrophobicContact CD1-CD2 3.35Å; Y57-Y103 HydrophobicContact CD1-CE2 4.11Å; Y57-Y103 HydrophobicContact CD1-CG 4.13Å; Y57-Y103 AromaticContact CD2-CD2 3.85Å; Y57-Y103 HydrophobicContact CD2-CD2 3.85Å; Y57-Y103 HydrophobicContact CD2-CE2 4.37Å; Y57-Y103 AromaticContact CE1-CD2 3.67Å; Y57-Y103 HydrophobicContact CE1-CD2 3.67Å; Y57-Y103 HydrophobicContact CE1-CG 4.11Å; Y57-Y103 HydrophobicContact CE2-CD2 4.14Å; Y57-Y103 AromaticContact CG-CD2 3.44Å; Y57-Y103 HydrophobicContact CG-CD2 3.44Å; Y57-Y103 VanDerWaalsContact CG-CD2 3.44Å; Y57-Y103 AromaticContact CG-CE2 3.87Å; Y57-Y103 HydrophobicContact CG-CE2 3.87Å; Y57-Y103 PolarHBondContact OH-N 2.83Å; Y57-D106 HydrophobicContact CE2-CB 4.37Å; Y57-D106 WeakPolarHBondContact CE2-OD2 3.19Å; Y57-D106 PolarHBondContact OH-OD2 3.45Å; Y57-D106 VanDerWaalsContact OH-OD2 3.1Å | ||
| 58 | Q | 74.3 | Confident | 70.7 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 112.9 | -177.8 | -177.5 | 176 | -5.6 | 0 | 0 | 108.1 | P42 P56 S65 Y67 | P42-Q58 VanDerWaalsContact CD-NE2 3.33Å; P56-Q58 PolarHBondContact O-N 2.95Å; Q58-S65 PolarHBondContact NE2-OG 3.19Å; Q58-Y67 HydrophobicContact CG-CE1 4.38Å |
| 59 | H | 84.1 | Confident | 72.6 | Confident | 29 Ų | 29 | 61.9 Ų | 61.9 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 130.8 | 168.8 | -171.5 | 93.6 | 0 | 0 | 0 | 108.6 | Y57 S65 Y66 I68 | Y57-H59 HydrophobicContact CE1-CB 3.94Å; H59-S65 CarbonylContact O-C 3.38Å; H59-S65 WeakPolarHBondContact O-CA 3.48Å; H59-Y66 AromaticContact CD2-CD2 3.85Å; H59-Y66 PolarHBondContact N-O 2.79Å; H59-Y66 PolarHBondContact O-N 3.47Å; H59-I68 HydrophobicContact CB-CD1 4.13Å |
| 60 | V | 87 | Confident | 74.5 | Confident | 47 Ų | 47 | 61.3 Ų | 61.3 | 29% | 0.285 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 101.5 | 177.9 | 179.8 | 0 | 0 | 0 | 0 | 108 | R41 P45 | R41-V60 HydrophobicContact CG-CG1 4.02Å; P45-V60 HydrophobicContact CB-CG2 4.37Å |
| 61 | G | 86 | Confident | 76.9 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -173.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | G64 D95 | G61-G64 PolarHBondContact N-O 3Å; G61-D95 WeakPolarHBondContact CA-OD2 3.38Å |
| 62 | E | 85.6 | Confident | 79.2 | Confident | 157 Ų | 157 | 55.2 Ų | 55.2 | 73% | 0.734 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -41.5 | 177.9 | -66.7 | -174.6 | 167.6 | 0 | 0 | 111.9 | D95 | E62-D95 PolarHBondContact N-OD1 3.21Å; E62-D95 PolarHBondContact N-OD2 2.77Å |
| 63 | N | 83.2 | Confident | 81.4 | Confident | 110 Ų | 110 | 46.1 Ų | 46.1 | 59% | 0.588 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 2.4 | -173.4 | -67 | -47.7 | 0 | 0 | 0 | 114.6 | ||
| 64 | G | 90.5 | Very high | 83.4 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.1 | -147.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G61 | G61-G64 PolarHBondContact N-O 3Å |
| 65 | S | 92.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.1 | 178.3 | -72.3 | 0 | 0 | 0 | 0 | 111.5 | V38 G39 P42 Q58 H59 | V38-S65 WeakPolarHBondContact CA-O 3.37Å; G39-S65 PolarHBondContact N-O 2.7Å; G39-S65 PolarHBondContact O-N 3.07Å; P42-S65 WeakPolarHBondContact CD-OG 3.47Å; Q58-S65 PolarHBondContact NE2-OG 3.19Å; H59-S65 CarbonylContact O-C 3.38Å; H59-S65 WeakPolarHBondContact O-CA 3.48Å |
| 66 | Y | 94.5 | Very high | 87 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 116.5 | 178.6 | -51 | -35.1 | 0 | 0 | 0 | 109.7 | V36 G37 V38 H59 D95 M96 | V36-Y66 HydrophobicContact CG2-CD1 4.38Å; G37-Y66 CarbonylContact O-C 3.48Å; G37-Y66 WeakPolarHBondContact O-CA 3.33Å; V38-Y66 HydrophobicContact CG1-CD1 4.32Å; V38-Y66 HydrophobicContact CG1-CE1 4.12Å; V38-Y66 HydrophobicContact CG2-CD1 4.03Å; V38-Y66 HydrophobicContact CG2-CE1 4.17Å; H59-Y66 AromaticContact CD2-CD2 3.85Å; H59-Y66 PolarHBondContact N-O 2.79Å; H59-Y66 PolarHBondContact O-N 3.47Å; Y66-D95 VanDerWaalsContact CE2-OD2 3.24Å; Y66-D95 WeakPolarHBondContact CE2-OD2 3.35Å; Y66-D95 VanDerWaalsContact CZ-OD2 3.23Å; Y66-D95 PolarHBondContact OH-OD2 2.67Å; Y66-M96 HydrophobicContact CE2-CB 4.25Å |
| 67 | Y | 93.8 | Very high | 88.5 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 11% | 0.106 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 108.8 | 169.2 | -59.3 | -72.7 | 0 | 0 | 0 | 107.7 | G37 Q58 I73 M80 | G37-Y67 PolarHBondContact N-O 3.08Å; G37-Y67 WeakPolarHBondContact O-CD2 3.33Å; G37-Y67 PolarHBondContact O-N 3.39Å; Q58-Y67 HydrophobicContact CG-CE1 4.38Å; Y67-I73 WeakPolarHBondContact O-CG2 3.48Å; Y67-M80 HydrophobicContact CD2-CG 4.11Å; Y67-M80 HydrophobicContact CD2-SD 3.42Å; Y67-M80 WeakPolarHBondContact CD2-SD 3.14Å; Y67-M80 HydrophobicContact CE2-CG 4.33Å; Y67-M80 HydrophobicContact CE2-SD 3.89Å; Y67-M80 HydrophobicContact CG-SD 4.18Å |
| 68 | I | 93.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | trans | -115 | 140.8 | -167.6 | -52.4 | -178.2 | 0 | 0 | 0 | 109.7 | V36 Y57 H59 P72 G99 I100 Y103 | V36-I68 HydrophobicContact CB-CG1 4.34Å; V36-I68 HydrophobicContact CG1-CD1 4.48Å; V36-I68 HydrophobicContact CG1-CG1 3.89Å; V36-I68 HydrophobicContact CG1-CG2 4.45Å; Y57-I68 HydrophobicContact CD1-CB 4.45Å; Y57-I68 HydrophobicContact CE1-CD1 4.43Å; H59-I68 HydrophobicContact CB-CD1 4.13Å; I68-P72 WeakPolarHBondContact O-CG 3.31Å; I68-G99 WeakPolarHBondContact CD1-O 3.38Å; I68-I100 HydrophobicContact CD1-CG1 4.2Å; I68-I100 HydrophobicContact CG2-CG1 4.12Å; I68-Y103 HydrophobicContact CB-CD1 4.33Å; I68-Y103 HydrophobicContact CB-CD2 4.45Å; I68-Y103 HydrophobicContact CB-CG 4.08Å; I68-Y103 HydrophobicContact CG2-CD1 3.54Å; I68-Y103 HydrophobicContact CG2-CD2 4.49Å; I68-Y103 HydrophobicContact CG2-CE1 4.2Å; I68-Y103 HydrophobicContact CG2-CG 3.69Å | ||
| 69 | G | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 94.1 | 170.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L71 P72 I73 | G69-L71 PolarHBondContact O-N 2.96Å; G69-P72 WeakPolarHBondContact O-CD 3.5Å; G69-I73 WeakPolarHBondContact O-CG1 3.18Å; G69-I73 WeakPolarHBondContact O-CG2 3.4Å |
| 70 | T | 90.1 | Very high | 90.9 | Very high | 65 Ų | 65 | 44.9 Ų | 44.9 | 40% | 0.399 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.4 | -43.8 | -167.9 | -49.4 | 0 | 0 | 0 | 0 | 112.8 | I73 H74 | T70-I73 WeakPolarHBondContact O-CG1 3.31Å; T70-H74 PolarHBondContact O-CE1 2.96Å; T70-H74 PolarHBondContact O-ND1 3.36Å |
| 71 | L | 90.5 | Very high | 91.3 | Very high | 121 Ų | 121 | 49 Ų | 49 | 63% | 0.634 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -71 | -49.3 | -176.6 | -61.9 | 174.8 | 0 | 0 | 0 | 113.2 | G69 I73 H74 | G69-L71 PolarHBondContact O-N 2.96Å; L71-I73 VanDerWaalsContact C-N 3.34Å; L71-I73 PolarHBondContact O-N 3.13Å; L71-H74 PolarHBondContact O-N 3.24Å |
| 72 | P | 90.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -35.6 | -174.6 | -28.4 | 39.5 | 0 | 0 | 0 | 114.8 | P56 I68 G69 H74 V75 | P56-P72 HydrophobicContact CB-CB 4.12Å; P56-P72 HydrophobicContact CB-CG 3.95Å; I68-P72 WeakPolarHBondContact O-CG 3.31Å; G69-P72 WeakPolarHBondContact O-CD 3.5Å; P72-H74 VanDerWaalsContact C-N 3.3Å; P72-H74 PolarHBondContact O-N 3.38Å; P72-V75 PolarHBondContact O-N 3.33Å |
| 73 | I | 92.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70 | -23.1 | -177.5 | 67.2 | -174.7 | 0 | 0 | 0 | 113.6 | P33 F35 Y67 G69 T70 L71 F247 | P33-I73 HydrophobicContact CB-CD1 3.87Å; P33-I73 HydrophobicContact CG-CD1 3.63Å; F35-I73 HydrophobicContact CD2-CD1 4.23Å; F35-I73 HydrophobicContact CE2-CD1 3.65Å; F35-I73 HydrophobicContact CZ-CD1 4.37Å; Y67-I73 WeakPolarHBondContact O-CG2 3.48Å; G69-I73 WeakPolarHBondContact O-CG1 3.18Å; G69-I73 WeakPolarHBondContact O-CG2 3.4Å; T70-I73 WeakPolarHBondContact O-CG1 3.31Å; L71-I73 VanDerWaalsContact C-N 3.34Å; L71-I73 PolarHBondContact O-N 3.13Å; I73-F247 VanDerWaalsContact O-CE2 3.29Å; I73-F247 WeakPolarHBondContact O-CE2 3.43Å |
| 74 | H | 92.6 | Very high | 93 | Very high | 68 Ų | 68 | 42.1 Ų | 42.1 | 32% | 0.315 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -9.5 | 179.7 | -70 | 77.4 | 0 | 0 | 0 | 112.9 | T70 L71 P72 P76 M251 E254 | T70-H74 PolarHBondContact O-CE1 2.96Å; T70-H74 PolarHBondContact O-ND1 3.36Å; L71-H74 PolarHBondContact O-N 3.24Å; P72-H74 VanDerWaalsContact C-N 3.3Å; P72-H74 PolarHBondContact O-N 3.38Å; H74-P76 WeakPolarHBondContact O-CD 3.4Å; H74-M251 HydrophobicContact CB-SD 4.38Å; H74-E254 IonicContact CD2-OE2 3.15Å; H74-E254 PolarHBondContact CD2-OE2 3.45Å; H74-E254 VanDerWaalsContact CD2-OE2 3.29Å; H74-E254 IonicContact CE1-OE1 3.9Å; H74-E254 PolarHBondContact CE1-OE1 2.9Å; H74-E254 IonicContact CE1-OE2 3.13Å; H74-E254 IonicContact NE2-OE1 2.66Å; H74-E254 PolarHBondContact NE2-OE1 3.32Å; H74-E254 IonicContact NE2-OE2 2.68Å; H74-E254 PolarHBondContact NE2-OE2 3.07Å |
| 75 | V | 91.8 | Very high | 93.3 | Very high | 57 Ų | 57 | 42 Ų | 42 | 35% | 0.345 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -80.1 | 118.2 | 179.8 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | P72 R77 M80 | P72-V75 PolarHBondContact O-N 3.33Å; V75-R77 HydrophobicContact CG1-CG 4.49Å; V75-R77 VanDerWaalsContact CG1-NH1 3.27Å; V75-R77 PolarHBondContact O-N 3.29Å; V75-M80 WeakPolarHBondContact O-CE 3.43Å |
| 76 | P | 93 | Very high | 93.5 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 20% | 0.195 | 23% | 0.23 | C | C | . | . | trans | -66 | 124 | 177.6 | 26 | -31.8 | 0 | 0 | 0 | 109.6 | H74 Y218 L240 P241 V243 F247 | H74-P76 WeakPolarHBondContact O-CD 3.4Å; P76-Y218 HydrophobicContact CB-CD2 4.21Å; P76-Y218 HydrophobicContact CG-CD2 4.43Å; P76-L240 HydrophobicContact CG-CD2 3.87Å; P76-P241 HydrophobicContact CB-CG 4.08Å; P76-P241 WeakPolarHBondContact O-CG 3.15Å; P76-V243 HydrophobicContact CB-CG1 3.53Å; P76-F247 HydrophobicContact CB-CE1 3.96Å; P76-F247 HydrophobicContact CB-CZ 3.84Å | ||
| 77 | R | 92.3 | Very high | 93.6 | Very high | 61 Ų | 61 | 48.9 Ų | 48.9 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | trans | -128.6 | 143.8 | 178.8 | -64.4 | -175.2 | -162.1 | -52.6 | -2.7 | 110.3 | V75 G79 M80 | V75-R77 HydrophobicContact CG1-CG 4.49Å; V75-R77 VanDerWaalsContact CG1-NH1 3.27Å; V75-R77 PolarHBondContact O-N 3.29Å; R77-G79 PolarHBondContact O-N 2.68Å; R77-M80 HydrophobicContact CB-CB 3.75Å; R77-M80 HydrophobicContact CB-SD 4.15Å; R77-M80 HydrophobicContact CG-SD 4.23Å; R77-M80 PolarHBondContact O-N 3.01Å | ||
| 78 | Q | 91.7 | Very high | 93.6 | Very high | 146 Ų | 146 | 50 Ų | 50 | 68% | 0.682 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 126.4 | 176.6 | -174.2 | 170.2 | -0.4 | 0 | 0 | 110 | M80 P241 | Q78-M80 PolarHBondContact O-N 3.31Å; Q78-P241 HydrophobicContact CB-CB 4.2Å |
| 79 | G | 90.7 | Very high | 93.6 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | -4.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R77 K81 | R77-G79 PolarHBondContact O-N 2.68Å; G79-K81 PolarHBondContact O-N 3.16Å |
| 80 | M | 94.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | trans | -69.6 | 127 | 177.9 | -176.6 | -179.8 | 84.9 | 0 | 0 | 111 | V38 Y67 V75 R77 Q78 I82 T244 F247 | V38-M80 CarbonylContact O-C 3.54Å; V38-M80 WeakPolarHBondContact O-CA 3.44Å; Y67-M80 HydrophobicContact CD2-CG 4.11Å; Y67-M80 HydrophobicContact CD2-SD 3.42Å; Y67-M80 WeakPolarHBondContact CD2-SD 3.14Å; Y67-M80 HydrophobicContact CE2-CG 4.33Å; Y67-M80 HydrophobicContact CE2-SD 3.89Å; Y67-M80 HydrophobicContact CG-SD 4.18Å; V75-M80 WeakPolarHBondContact O-CE 3.43Å; R77-M80 HydrophobicContact CB-CB 3.75Å; R77-M80 HydrophobicContact CB-SD 4.15Å; R77-M80 HydrophobicContact CG-SD 4.23Å; R77-M80 PolarHBondContact O-N 3.01Å; Q78-M80 PolarHBondContact O-N 3.31Å; M80-I82 HydrophobicContact CE-CD1 4.23Å; M80-T244 WeakPolarHBondContact O-CB 3.2Å; M80-T244 WeakPolarHBondContact O-CG2 3.34Å; M80-T244 PolarHBondContact O-OG1 3.37Å; M80-F247 HydrophobicContact CE-CD2 3.37Å; M80-F247 HydrophobicContact CE-CE2 3.57Å | ||
| 81 | K | 96.3 | Very high | 94.3 | Very high | 132 Ų | 132 | 49 Ų | 49 | 57% | 0.574 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 160 | 173.2 | -63.3 | 178.3 | -175.7 | 175 | 0 | 110.3 | G37 V38 G79 T244 S246 | G37-K81 CarbonylContact C-O 3.53Å; G37-K81 WeakPolarHBondContact CA-O 3.4Å; V38-K81 PolarHBondContact N-O 3.14Å; V38-K81 PolarHBondContact O-N 3.46Å; G79-K81 PolarHBondContact O-N 3.16Å; K81-T244 HydrophobicContact CG-CG2 4.02Å; K81-S246 WeakPolarHBondContact CA-OG 3.18Å |
| 82 | I | 96.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 15% | 0.149 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.4 | 169.3 | -59.8 | -63.6 | 0 | 0 | 0 | 107.5 | F35 V36 M80 S246 F247 C250 | F35-I82 HydrophobicContact CB-CG2 4.1Å; F35-I82 HydrophobicContact CD2-CG2 3.69Å; F35-I82 HydrophobicContact CE2-CG2 4.49Å; F35-I82 HydrophobicContact CG-CG2 4.19Å; V36-I82 WeakPolarHBondContact O-CA 3.34Å; M80-I82 HydrophobicContact CE-CD1 4.23Å; I82-S246 PolarHBondContact N-OG 3.13Å; I82-F247 HydrophobicContact CD1-CD2 4.27Å; I82-F247 HydrophobicContact CG1-CB 4.3Å; I82-F247 HydrophobicContact CG1-CD2 4.45Å; I82-C250 HydrophobicContact CB-CB 4.29Å; I82-C250 HydrophobicContact CG1-CB 3.85Å; I82-C250 HydrophobicContact CG2-CB 4.18Å |
| 83 | A | 96.5 | Very high | 94.9 | Very high | 34 Ų | 34 | 49 Ų | 49 | 28% | 0.281 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 158.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F35 V36 V38 M96 | F35-A83 CarbonylContact C-O 3.21Å; F35-A83 WeakPolarHBondContact CA-O 3.46Å; F35-A83 VanDerWaalsContact CB-O 3.24Å; F35-A83 WeakPolarHBondContact CB-O 3.36Å; V36-A83 PolarHBondContact N-O 3.47Å; V36-A83 PolarHBondContact O-N 3.49Å; V38-A83 HydrophobicContact CG2-CB 3.89Å; A83-M96 HydrophobicContact CB-CE 3.69Å; A83-M96 HydrophobicContact CB-SD 4.36Å |
| 84 | T | 96.8 | Very high | 95.1 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | trans | -124 | 142.9 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 108.8 | L86 M96 | T84-L86 WeakPolarHBondContact CG2-O 3.31Å; T84-L86 PolarHBondContact O-N 3.03Å; T84-L86 PolarHBondContact OG1-N 3.45Å; T84-M96 VanDerWaalsContact C-SD 3.55Å | ||
| 85 | P | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -78.4 | -9.2 | 174.1 | 29.3 | -27.6 | 0 | 0 | 0 | 112.6 | T34 E92 D93 M96 F97 I100 | T34-P85 HydrophobicContact CG2-CG 4.48Å; T34-P85 WeakPolarHBondContact O-CD 3.44Å; P85-E92 PolarHBondContact O-N 2.94Å; P85-D93 HydrophobicContact CB-CB 4.15Å; P85-D93 VanDerWaalsContact CB-O 3.31Å; P85-D93 WeakPolarHBondContact CB-O 3.42Å; P85-D93 PolarHBondContact O-N 3.06Å; P85-M96 HydrophobicContact CB-CB 4.11Å; P85-M96 HydrophobicContact CB-CG 4.07Å; P85-M96 HydrophobicContact CB-SD 3.96Å; P85-M96 VanDerWaalsContact CD-SD 3.58Å; P85-M96 HydrophobicContact CG-CG 4.28Å; P85-M96 HydrophobicContact CG-SD 4.16Å; P85-M96 VanDerWaalsContact N-SD 3.39Å; P85-F97 HydrophobicContact CB-CB 3.96Å; P85-F97 HydrophobicContact CB-CD2 4.46Å; P85-F97 HydrophobicContact CG-CB 4.32Å; P85-F97 HydrophobicContact CG-CD2 4.07Å; P85-I100 HydrophobicContact CG-CD1 3.69Å |
| 86 | L | 97.4 | Very high | 95.4 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.7 | -176.4 | -86.3 | 66.6 | 0 | 0 | 0 | 112.5 | A13 T34 T84 M90 I91 F97 | A13-L86 HydrophobicContact CB-CD2 4.48Å; T34-L86 HydrophobicContact CG2-CD1 3.72Å; T34-L86 HydrophobicContact CG2-CD2 4.12Å; T34-L86 HydrophobicContact CG2-CG 4.33Å; T84-L86 WeakPolarHBondContact CG2-O 3.31Å; T84-L86 PolarHBondContact O-N 3.03Å; T84-L86 PolarHBondContact OG1-N 3.45Å; L86-M90 CarbonylContact C-O 3.58Å; L86-M90 WeakPolarHBondContact CA-O 3.4Å; L86-I91 HydrophobicContact CD1-CG1 4.08Å; L86-F97 HydrophobicContact CD1-CD2 4.25Å; L86-F97 HydrophobicContact CD1-CE2 4.38Å |
| 87 | H | 95.9 | Very high | 95.6 | Very high | 131 Ų | 131 | 45.5 Ų | 45.5 | 61% | 0.606 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 133.4 | 166.3 | -172.8 | 68.1 | 0 | 0 | 0 | 109.6 | G89 M90 E92 | H87-G89 PolarHBondContact O-N 3.06Å; H87-G89 VanDerWaalsContact O-N 3.1Å; H87-M90 PolarHBondContact N-O 3.2Å; H87-M90 PolarHBondContact O-N 3.41Å; H87-E92 HydrophobicContact CB-CG 3.67Å |
| 88 | D | 94.5 | Very high | 95.8 | Very high | 51 Ų | 51 | 43.8 Ų | 43.8 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 35.7 | -177.4 | -166.1 | 22.1 | 0 | 0 | 0 | 114.1 | M90 W124 Q173 R191 | D88-M90 HydrophobicContact CB-CE 4.02Å; D88-M90 PolarHBondContact O-N 3Å; D88-W124 PolarHBondContact O-NE1 3.31Å; D88-Q173 PolarHBondContact OD1-NE2 2.97Å; D88-Q173 PolarHBondContact OD1-OE1 2.95Å; D88-R191 IonicContact OD1-NH1 3.87Å; D88-R191 PolarHBondContact OD1-NH1 3.26Å; D88-R191 IonicContact OD2-CZ 3.7Å; D88-R191 IonicContact OD2-NH1 3.01Å; D88-R191 PolarHBondContact OD2-NH1 2.87Å; D88-R191 IonicContact OD2-NH2 2.93Å |
| 89 | G | 93.9 | Very high | 95.9 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 12% | 0.124 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -0.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | H87 P122 | H87-G89 PolarHBondContact O-N 3.06Å; H87-G89 VanDerWaalsContact O-N 3.1Å; G89-P122 WeakPolarHBondContact O-CD 3.14Å; G89-P122 WeakPolarHBondContact O-CG 3.22Å |
| 90 | M | 97.1 | Very high | 96.2 | Very high | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 150.2 | 179.6 | -62.5 | 173.8 | -73.9 | 0 | 0 | 111 | L86 H87 D88 E92 P122 R126 | L86-M90 CarbonylContact C-O 3.58Å; L86-M90 WeakPolarHBondContact CA-O 3.4Å; H87-M90 PolarHBondContact N-O 3.2Å; H87-M90 PolarHBondContact O-N 3.41Å; D88-M90 HydrophobicContact CB-CE 4.02Å; D88-M90 PolarHBondContact O-N 3Å; M90-E92 PolarHBondContact O-N 2.9Å; M90-P122 HydrophobicContact CG-CG 3.94Å; M90-R126 HydrophobicContact SD-CG 4.04Å |
| 91 | I | 97.7 | Very high | 96.2 | Very high | 15 Ų | 15 | 35 Ų | 35 | 8% | 0.077 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 122.3 | 175.9 | -58 | 157 | 0 | 0 | 0 | 109.2 | L86 W94 F97 K129 L133 | L86-I91 HydrophobicContact CD1-CG1 4.08Å; I91-W94 HydrophobicContact CB-CH2 3.97Å; I91-W94 HydrophobicContact CB-CZ2 4.01Å; I91-W94 HydrophobicContact CB-CZ3 4.28Å; I91-W94 HydrophobicContact CD1-CH2 3.94Å; I91-W94 HydrophobicContact CD1-CZ3 3.97Å; I91-W94 HydrophobicContact CG2-CD2 3.75Å; I91-W94 HydrophobicContact CG2-CE3 3.75Å; I91-W94 HydrophobicContact CG2-CG 4.39Å; I91-W94 HydrophobicContact CG2-CH2 4.01Å; I91-W94 HydrophobicContact CG2-CZ2 4.02Å; I91-W94 HydrophobicContact CG2-CZ3 3.88Å; I91-F97 HydrophobicContact CD1-CD1 3.78Å; I91-F97 HydrophobicContact CD1-CD2 4.3Å; I91-F97 HydrophobicContact CD1-CE1 3.41Å; I91-F97 VanDerWaalsContact CD1-CE1 3.41Å; I91-F97 HydrophobicContact CD1-CE2 3.99Å; I91-F97 HydrophobicContact CD1-CG 4.2Å; I91-F97 HydrophobicContact CD1-CZ 3.52Å; I91-F97 HydrophobicContact CG1-CD1 4.33Å; I91-F97 HydrophobicContact CG1-CD2 4.14Å; I91-F97 HydrophobicContact CG1-CE1 4.28Å; I91-F97 HydrophobicContact CG1-CE2 4.1Å; I91-F97 HydrophobicContact CG1-CG 4.25Å; I91-F97 HydrophobicContact CG1-CZ 4.15Å; I91-F97 HydrophobicContact CG2-CB 3.76Å; I91-F97 HydrophobicContact CG2-CD1 4.09Å; I91-F97 HydrophobicContact CG2-CD2 4.32Å; I91-F97 HydrophobicContact CG2-CG 3.79Å; I91-K129 WeakPolarHBondContact O-CD 3.25Å; I91-K129 WeakPolarHBondContact O-CE 3.36Å; I91-K129 PolarHBondContact O-NZ 2.89Å; I91-K129 VanDerWaalsContact O-NZ 3.16Å; I91-L133 HydrophobicContact CD1-CD1 4.35Å |
| 92 | E | 96.7 | Very high | 96.2 | Very high | 81 Ų | 81 | 31.2 Ų | 31.2 | 38% | 0.379 | 16% | 0.163 | S | C | . | . | trans | -112.2 | -45.7 | 178.2 | -71.2 | -63.1 | 163.3 | 0 | 0 | 112.5 | P85 H87 M90 K129 | P85-E92 PolarHBondContact O-N 2.94Å; H87-E92 HydrophobicContact CB-CG 3.67Å; M90-E92 PolarHBondContact O-N 2.9Å; E92-K129 VanDerWaalsContact CD-NZ 3.33Å; E92-K129 IonicContact OE1-NZ 3.58Å; E92-K129 WeakPolarHBondContact OE2-CE 3.23Å; E92-K129 IonicContact OE2-NZ 2.69Å; E92-K129 PolarHBondContact OE2-NZ 3.44Å | ||
| 93 | D | 96.8 | Very high | 96 | Very high | 45 Ų | 45 | 30.8 Ų | 30.8 | 24% | 0.241 | 16% | 0.16 | C | C | . | . | trans | -95.9 | 95.5 | 177.2 | -168.1 | -31.3 | 0 | 0 | 0 | 110.1 | P85 D95 M96 F97 | P85-D93 HydrophobicContact CB-CB 4.15Å; P85-D93 VanDerWaalsContact CB-O 3.31Å; P85-D93 WeakPolarHBondContact CB-O 3.42Å; P85-D93 PolarHBondContact O-N 3.06Å; D93-D95 PolarHBondContact OD1-N 3.12Å; D93-M96 HydrophobicContact CB-CB 4.02Å; D93-M96 VanDerWaalsContact CG-CB 3.49Å; D93-M96 WeakPolarHBondContact OD1-CB 3.29Å; D93-M96 PolarHBondContact OD1-N 2.89Å; D93-F97 WeakPolarHBondContact O-CB 3.23Å; D93-F97 PolarHBondContact O-N 2.88Å | ||
| 94 | W | 96.6 | Very high | 96 | Very high | 46 Ų | 46 | 29.2 Ų | 29.2 | 17% | 0.174 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -73.1 | -32.5 | -175.5 | -70.2 | 99.8 | 0 | 0 | 0 | 114 | I91 F97 E98 K129 Q132 L133 L136 | I91-W94 HydrophobicContact CB-CH2 3.97Å; I91-W94 HydrophobicContact CB-CZ2 4.01Å; I91-W94 HydrophobicContact CB-CZ3 4.28Å; I91-W94 HydrophobicContact CD1-CH2 3.94Å; I91-W94 HydrophobicContact CD1-CZ3 3.97Å; I91-W94 HydrophobicContact CG2-CD2 3.75Å; I91-W94 HydrophobicContact CG2-CE3 3.75Å; I91-W94 HydrophobicContact CG2-CG 4.39Å; I91-W94 HydrophobicContact CG2-CH2 4.01Å; I91-W94 HydrophobicContact CG2-CZ2 4.02Å; I91-W94 HydrophobicContact CG2-CZ3 3.88Å; W94-F97 HydrophobicContact CE3-CD1 4.43Å; W94-F97 HydrophobicContact CZ3-CD1 4.41Å; W94-F97 PolarHBondContact O-N 3.04Å; W94-E98 VanDerWaalsContact O-CB 3.24Å; W94-E98 WeakPolarHBondContact O-CB 3.36Å; W94-E98 PolarHBondContact O-N 2.93Å; W94-K129 VanDerWaalsContact CH2-O 3.3Å; W94-K129 WeakPolarHBondContact CH2-O 3.29Å; W94-K129 HydrophobicContact CZ2-CB 4.21Å; W94-K129 HydrophobicContact CZ2-CD 4.07Å; W94-K129 WeakPolarHBondContact CZ2-O 3.49Å; W94-Q132 HydrophobicContact CD2-CB 4.24Å; W94-Q132 VanDerWaalsContact CE2-OE1 3.26Å; W94-Q132 HydrophobicContact CH2-CB 3.81Å; W94-Q132 HydrophobicContact CZ2-CB 3.43Å; W94-Q132 VanDerWaalsContact CZ2-CB 3.43Å; W94-Q132 HydrophobicContact CZ2-CG 4.45Å; W94-Q132 HydrophobicContact CZ3-CB 4.33Å; W94-L133 HydrophobicContact CH2-CB 3.8Å; W94-L133 HydrophobicContact CZ3-CB 4.02Å; W94-L133 HydrophobicContact CZ3-CD1 4.1Å; W94-L136 HydrophobicContact CE3-CD2 4.07Å; W94-L136 HydrophobicContact CZ3-CD2 4.31Å |
| 95 | D | 95.7 | Very high | 95.9 | Very high | 27 Ų | 27 | 26.3 Ų | 26.3 | 14% | 0.144 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.6 | -44.1 | 176.2 | 175.3 | 67.4 | 0 | 0 | 0 | 110.2 | G61 E62 Y66 D93 G99 | G61-D95 WeakPolarHBondContact CA-OD2 3.38Å; E62-D95 PolarHBondContact N-OD1 3.21Å; E62-D95 PolarHBondContact N-OD2 2.77Å; Y66-D95 VanDerWaalsContact CE2-OD2 3.24Å; Y66-D95 WeakPolarHBondContact CE2-OD2 3.35Å; Y66-D95 VanDerWaalsContact CZ-OD2 3.23Å; Y66-D95 PolarHBondContact OH-OD2 2.67Å; D93-D95 PolarHBondContact OD1-N 3.12Å; D95-G99 PolarHBondContact O-N 3.01Å; D95-G99 VanDerWaalsContact O-N 3.12Å |
| 96 | M | 96 | Very high | 95.7 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.03 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 173 | -176.1 | -174.9 | -55.3 | 0 | 0 | 112.3 | V36 V38 Y66 A83 T84 P85 D93 G99 I100 | V36-M96 HydrophobicContact CG1-CG 4.37Å; V36-M96 HydrophobicContact CG2-CE 4.11Å; V36-M96 HydrophobicContact CG2-CG 3.68Å; V36-M96 HydrophobicContact CG2-SD 3.51Å; V36-M96 VanDerWaalsContact CG2-SD 3.51Å; V38-M96 HydrophobicContact CG2-CE 4.05Å; Y66-M96 HydrophobicContact CE2-CB 4.25Å; A83-M96 HydrophobicContact CB-CE 3.69Å; A83-M96 HydrophobicContact CB-SD 4.36Å; T84-M96 VanDerWaalsContact C-SD 3.55Å; P85-M96 HydrophobicContact CB-CB 4.11Å; P85-M96 HydrophobicContact CB-CG 4.07Å; P85-M96 HydrophobicContact CB-SD 3.96Å; P85-M96 VanDerWaalsContact CD-SD 3.58Å; P85-M96 HydrophobicContact CG-CG 4.28Å; P85-M96 HydrophobicContact CG-SD 4.16Å; P85-M96 VanDerWaalsContact N-SD 3.39Å; D93-M96 HydrophobicContact CB-CB 4.02Å; D93-M96 VanDerWaalsContact CG-CB 3.49Å; D93-M96 WeakPolarHBondContact OD1-CB 3.29Å; D93-M96 PolarHBondContact OD1-N 2.89Å; M96-G99 PolarHBondContact O-N 2.82Å; M96-I100 PolarHBondContact O-N 3.36Å; M96-I100 VanDerWaalsContact O-N 3.14Å |
| 97 | F | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 179.8 | -171 | -108.9 | 0 | 0 | 0 | 112.2 | F18 P85 L86 I91 D93 W94 G99 I100 L101 F119 L133 L136 | F18-F97 HydrophobicContact CE2-CZ 4.39Å; F18-F97 HydrophobicContact CZ-CZ 4.35Å; P85-F97 HydrophobicContact CB-CB 3.96Å; P85-F97 HydrophobicContact CB-CD2 4.46Å; P85-F97 HydrophobicContact CG-CB 4.32Å; P85-F97 HydrophobicContact CG-CD2 4.07Å; L86-F97 HydrophobicContact CD1-CD2 4.25Å; L86-F97 HydrophobicContact CD1-CE2 4.38Å; I91-F97 HydrophobicContact CD1-CD1 3.78Å; I91-F97 HydrophobicContact CD1-CD2 4.3Å; I91-F97 HydrophobicContact CD1-CE1 3.41Å; I91-F97 VanDerWaalsContact CD1-CE1 3.41Å; I91-F97 HydrophobicContact CD1-CE2 3.99Å; I91-F97 HydrophobicContact CD1-CG 4.2Å; I91-F97 HydrophobicContact CD1-CZ 3.52Å; I91-F97 HydrophobicContact CG1-CD1 4.33Å; I91-F97 HydrophobicContact CG1-CD2 4.14Å; I91-F97 HydrophobicContact CG1-CE1 4.28Å; I91-F97 HydrophobicContact CG1-CE2 4.1Å; I91-F97 HydrophobicContact CG1-CG 4.25Å; I91-F97 HydrophobicContact CG1-CZ 4.15Å; I91-F97 HydrophobicContact CG2-CB 3.76Å; I91-F97 HydrophobicContact CG2-CD1 4.09Å; I91-F97 HydrophobicContact CG2-CD2 4.32Å; I91-F97 HydrophobicContact CG2-CG 3.79Å; D93-F97 WeakPolarHBondContact O-CB 3.23Å; D93-F97 PolarHBondContact O-N 2.88Å; W94-F97 HydrophobicContact CE3-CD1 4.43Å; W94-F97 HydrophobicContact CZ3-CD1 4.41Å; W94-F97 PolarHBondContact O-N 3.04Å; F97-G99 VanDerWaalsContact C-N 3.31Å; F97-G99 PolarHBondContact O-N 3.09Å; F97-I100 WeakPolarHBondContact O-CB 3.49Å; F97-I100 PolarHBondContact O-N 2.97Å; F97-I100 VanDerWaalsContact O-N 3.09Å; F97-L101 HydrophobicContact CD1-CD1 4Å; F97-L101 HydrophobicContact CD1-CG 4.17Å; F97-L101 HydrophobicContact CE1-CD1 3.71Å; F97-L101 HydrophobicContact CE1-CD2 4.11Å; F97-L101 HydrophobicContact CE1-CG 3.9Å; F97-L101 HydrophobicContact CZ-CD2 4.18Å; F97-L101 HydrophobicContact CZ-CG 4.37Å; F97-L101 PolarHBondContact O-N 3.11Å; F97-F119 HydrophobicContact CE1-CE1 4.22Å; F97-F119 AromaticContact CZ-CE1 3.88Å; F97-F119 HydrophobicContact CZ-CE1 3.88Å; F97-L133 HydrophobicContact CE1-CD1 4.07Å; F97-L136 HydrophobicContact CD1-CD2 4.22Å |
| 98 | E | 95.8 | Very high | 95.3 | Very high | 25 Ų | 25 | 29.5 Ų | 29.5 | 12% | 0.117 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 172.5 | 179.5 | -166.3 | 134.8 | 0 | 0 | 111.6 | W94 I100 L101 Q102 L136 K140 F141 | W94-E98 VanDerWaalsContact O-CB 3.24Å; W94-E98 WeakPolarHBondContact O-CB 3.36Å; W94-E98 PolarHBondContact O-N 2.93Å; E98-I100 PolarHBondContact O-N 2.83Å; E98-L101 PolarHBondContact O-N 2.86Å; E98-L101 VanDerWaalsContact O-N 3.09Å; E98-Q102 WeakPolarHBondContact O-CB 3.29Å; E98-Q102 PolarHBondContact O-N 2.97Å; E98-L136 HydrophobicContact CB-CD1 4.22Å; E98-L136 HydrophobicContact CB-CD2 4.45Å; E98-L136 HydrophobicContact CG-CD1 4.04Å; E98-K140 HydrophobicContact CG-CD 4.08Å; E98-K140 WeakPolarHBondContact OE1-CE 3.3Å; E98-K140 IonicContact OE1-NZ 3.18Å; E98-K140 PolarHBondContact OE1-NZ 3.11Å; E98-K140 WeakPolarHBondContact OE2-CD 3.22Å; E98-K140 VanDerWaalsContact OE2-CE 3.27Å; E98-K140 WeakPolarHBondContact OE2-CE 3.44Å; E98-K140 IonicContact OE2-NZ 2.67Å; E98-K140 PolarHBondContact OE2-NZ 3.31Å; E98-F141 HydrophobicContact CG-CE2 4.15Å; E98-F141 HydrophobicContact CG-CZ 4.1Å |
| 99 | G | 94.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.8 | -40 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I68 D95 M96 F97 Y103 | I68-G99 WeakPolarHBondContact CD1-O 3.38Å; D95-G99 PolarHBondContact O-N 3.01Å; D95-G99 VanDerWaalsContact O-N 3.12Å; M96-G99 PolarHBondContact O-N 2.82Å; F97-G99 VanDerWaalsContact C-N 3.31Å; F97-G99 PolarHBondContact O-N 3.09Å; G99-Y103 WeakPolarHBondContact O-CB 3.3Å; G99-Y103 PolarHBondContact O-N 2.64Å |
| 100 | I | 95.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 175.4 | -62 | 176.3 | 0 | 0 | 0 | 110.9 | F18 T34 V36 I68 P85 M96 F97 E98 Y103 V104 | F18-I100 HydrophobicContact CD1-CG2 3.54Å; F18-I100 HydrophobicContact CE1-CG2 3.89Å; F18-I100 HydrophobicContact CG-CG2 4.46Å; T34-I100 WeakPolarHBondContact O-CD1 3.25Å; V36-I100 HydrophobicContact CG1-CD1 3.76Å; V36-I100 HydrophobicContact CG1-CG1 3.74Å; I68-I100 HydrophobicContact CD1-CG1 4.2Å; I68-I100 HydrophobicContact CG2-CG1 4.12Å; P85-I100 HydrophobicContact CG-CD1 3.69Å; M96-I100 PolarHBondContact O-N 3.36Å; M96-I100 VanDerWaalsContact O-N 3.14Å; F97-I100 WeakPolarHBondContact O-CB 3.49Å; F97-I100 PolarHBondContact O-N 2.97Å; F97-I100 VanDerWaalsContact O-N 3.09Å; E98-I100 PolarHBondContact O-N 2.83Å; I100-Y103 WeakPolarHBondContact O-CB 3.24Å; I100-Y103 PolarHBondContact O-N 2.91Å; I100-V104 WeakPolarHBondContact O-CG2 3.49Å; I100-V104 PolarHBondContact O-N 3.47Å |
| 101 | L | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 176.6 | -68.4 | -176.1 | 0 | 0 | 0 | 112 | F11 F18 F97 E98 Y103 V104 Y105 F119 L136 L137 F141 | F11-L101 HydrophobicContact CD1-CD2 4.32Å; F11-L101 HydrophobicContact CE1-CD2 4.41Å; F18-L101 HydrophobicContact CE1-CD2 3.85Å; F18-L101 HydrophobicContact CZ-CD2 3.58Å; F97-L101 HydrophobicContact CD1-CD1 4Å; F97-L101 HydrophobicContact CD1-CG 4.17Å; F97-L101 HydrophobicContact CE1-CD1 3.71Å; F97-L101 HydrophobicContact CE1-CD2 4.11Å; F97-L101 HydrophobicContact CE1-CG 3.9Å; F97-L101 HydrophobicContact CZ-CD2 4.18Å; F97-L101 HydrophobicContact CZ-CG 4.37Å; F97-L101 PolarHBondContact O-N 3.11Å; E98-L101 PolarHBondContact O-N 2.86Å; E98-L101 VanDerWaalsContact O-N 3.09Å; L101-Y103 VanDerWaalsContact C-N 3.3Å; L101-Y103 PolarHBondContact O-N 3.08Å; L101-V104 PolarHBondContact O-N 3.15Å; L101-V104 VanDerWaalsContact O-N 3.1Å; L101-Y105 HydrophobicContact CB-CD2 4.48Å; L101-Y105 HydrophobicContact CB-CE2 4.47Å; L101-Y105 WeakPolarHBondContact O-CD2 3.4Å; L101-Y105 PolarHBondContact O-N 3.32Å; L101-F119 HydrophobicContact CD1-CZ 4.37Å; L101-F119 HydrophobicContact CD2-CE1 4.16Å; L101-F119 HydrophobicContact CD2-CZ 3.63Å; L101-L136 HydrophobicContact CD1-CD2 3.72Å; L101-L136 HydrophobicContact CD1-CG 4.38Å; L101-L137 HydrophobicContact CD1-CD2 4.36Å; L101-F141 HydrophobicContact CB-CE1 4.27Å; L101-F141 HydrophobicContact CB-CE2 3.77Å; L101-F141 HydrophobicContact CB-CZ 3.51Å; L101-F141 HydrophobicContact CD1-CD2 4.31Å; L101-F141 HydrophobicContact CD1-CE2 3.76Å; L101-F141 HydrophobicContact CD1-CZ 4.38Å; L101-F141 HydrophobicContact CG-CE2 4.44Å |
| 102 | Q | 94.4 | Very high | 94.8 | Very high | 54 Ų | 54 | 32.2 Ų | 32.2 | 25% | 0.252 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60 | -42.7 | 177.4 | -170.1 | 65.6 | 62.3 | 0 | 0 | 111 | E98 V104 Y105 D106 F141 | E98-Q102 WeakPolarHBondContact O-CB 3.29Å; E98-Q102 PolarHBondContact O-N 2.97Å; Q102-V104 VanDerWaalsContact C-N 3.32Å; Q102-V104 PolarHBondContact O-N 2.93Å; Q102-Y105 PolarHBondContact O-N 2.93Å; Q102-D106 PolarHBondContact NE2-OD1 2.89Å; Q102-D106 VanDerWaalsContact O-CB 3.27Å; Q102-D106 WeakPolarHBondContact O-CB 3.18Å; Q102-D106 PolarHBondContact O-N 3.06Å; Q102-F141 HydrophobicContact CB-CE1 4.39Å; Q102-F141 HydrophobicContact CB-CZ 4.38Å |
| 103 | Y | 94.2 | Very high | 94.6 | Very high | 20 Ų | 20 | 31.1 Ų | 31.1 | 8% | 0.078 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.8 | -45.1 | 173.7 | 174.8 | -107.6 | 0 | 0 | 0 | 112 | L32 Y57 I68 G99 I100 L101 N107 Y108 | L32-Y103 HydrophobicContact CD1-CD1 3.75Å; L32-Y103 HydrophobicContact CD1-CE1 3.58Å; L32-Y103 HydrophobicContact CD2-CE1 3.94Å; L32-Y103 HydrophobicContact CG-CE1 4.42Å; Y57-Y103 AromaticContact CD1-CD2 3.35Å; Y57-Y103 HydrophobicContact CD1-CD2 3.35Å; Y57-Y103 HydrophobicContact CD1-CE2 4.11Å; Y57-Y103 HydrophobicContact CD1-CG 4.13Å; Y57-Y103 AromaticContact CD2-CD2 3.85Å; Y57-Y103 HydrophobicContact CD2-CD2 3.85Å; Y57-Y103 HydrophobicContact CD2-CE2 4.37Å; Y57-Y103 AromaticContact CE1-CD2 3.67Å; Y57-Y103 HydrophobicContact CE1-CD2 3.67Å; Y57-Y103 HydrophobicContact CE1-CG 4.11Å; Y57-Y103 HydrophobicContact CE2-CD2 4.14Å; Y57-Y103 AromaticContact CG-CD2 3.44Å; Y57-Y103 HydrophobicContact CG-CD2 3.44Å; Y57-Y103 VanDerWaalsContact CG-CD2 3.44Å; Y57-Y103 AromaticContact CG-CE2 3.87Å; Y57-Y103 HydrophobicContact CG-CE2 3.87Å; Y57-Y103 PolarHBondContact OH-N 2.83Å; I68-Y103 HydrophobicContact CB-CD1 4.33Å; I68-Y103 HydrophobicContact CB-CD2 4.45Å; I68-Y103 HydrophobicContact CB-CG 4.08Å; I68-Y103 HydrophobicContact CG2-CD1 3.54Å; I68-Y103 HydrophobicContact CG2-CD2 4.49Å; I68-Y103 HydrophobicContact CG2-CE1 4.2Å; I68-Y103 HydrophobicContact CG2-CG 3.69Å; G99-Y103 WeakPolarHBondContact O-CB 3.3Å; G99-Y103 PolarHBondContact O-N 2.64Å; I100-Y103 WeakPolarHBondContact O-CB 3.24Å; I100-Y103 PolarHBondContact O-N 2.91Å; L101-Y103 VanDerWaalsContact C-N 3.3Å; L101-Y103 PolarHBondContact O-N 3.08Å; Y103-N107 WeakPolarHBondContact CD2-ND2 3.49Å; Y103-N107 WeakPolarHBondContact CE2-ND2 3.42Å; Y103-N107 WeakPolarHBondContact O-CB 3.25Å; Y103-N107 PolarHBondContact O-N 2.99Å; Y103-N107 VanDerWaalsContact O-N 3.12Å; Y103-N107 PolarHBondContact O-ND2 2.67Å; Y103-Y108 HydrophobicContact CD1-CE2 4.43Å; Y103-Y108 AromaticContact CE1-CE2 3.74Å; Y103-Y108 HydrophobicContact CE1-CE2 3.74Å; Y103-Y108 PolarHBondContact OH-OH 3.45Å |
| 104 | V | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -47.1 | 179.1 | 165.7 | 0 | 0 | 0 | 0 | 111.7 | F11 F18 V20 L32 I100 L101 Q102 Y108 V109 | F11-V104 HydrophobicContact CE1-CG1 4.16Å; F18-V104 HydrophobicContact CD1-CG2 4.11Å; F18-V104 HydrophobicContact CE1-CG2 3.92Å; V20-V104 HydrophobicContact CB-CG1 3.97Å; V20-V104 HydrophobicContact CG1-CG1 3.72Å; V20-V104 HydrophobicContact CG2-CG1 3.89Å; V20-V104 HydrophobicContact CG2-CG2 4.25Å; L32-V104 HydrophobicContact CD1-CG2 3.68Å; I100-V104 WeakPolarHBondContact O-CG2 3.49Å; I100-V104 PolarHBondContact O-N 3.47Å; L101-V104 PolarHBondContact O-N 3.15Å; L101-V104 VanDerWaalsContact O-N 3.1Å; Q102-V104 VanDerWaalsContact C-N 3.32Å; Q102-V104 PolarHBondContact O-N 2.93Å; V104-Y108 PolarHBondContact O-N 2.99Å; V104-V109 HydrophobicContact CG1-CG2 3.93Å; V104-V109 PolarHBondContact O-N 2.87Å |
| 105 | Y | 94.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -62.5 | -48.2 | 178 | -76.7 | -64 | 0 | 0 | 0 | 111.6 | F11 L101 Q102 N107 V109 G110 F141 | F11-Y105 AromaticContact CZ-CE1 3.9Å; F11-Y105 HydrophobicContact CZ-CE1 3.9Å; F11-Y105 HydrophobicContact CZ-CE2 4.34Å; F11-Y105 AromaticContact CZ-CZ 3.59Å; F11-Y105 VanDerWaalsContact CZ-OH 3.3Å; F11-Y105 WeakPolarHBondContact CZ-OH 3.32Å; L101-Y105 HydrophobicContact CB-CD2 4.48Å; L101-Y105 HydrophobicContact CB-CE2 4.47Å; L101-Y105 WeakPolarHBondContact O-CD2 3.4Å; L101-Y105 PolarHBondContact O-N 3.32Å; Q102-Y105 PolarHBondContact O-N 2.93Å; Y105-N107 VanDerWaalsContact C-N 3.3Å; Y105-N107 PolarHBondContact O-N 3.14Å; Y105-V109 HydrophobicContact CD1-CB 3.86Å; Y105-V109 HydrophobicContact CD1-CG1 3.87Å; Y105-V109 HydrophobicContact CD1-CG2 4.41Å; Y105-V109 HydrophobicContact CE1-CB 4.43Å; Y105-V109 HydrophobicContact CE1-CG1 4.07Å; Y105-G110 WeakPolarHBondContact O-CA 3.2Å; Y105-G110 PolarHBondContact O-N 3.1Å; Y105-F141 AromaticContact CD2-CD1 3.41Å; Y105-F141 HydrophobicContact CD2-CD1 3.41Å; Y105-F141 VanDerWaalsContact CD2-CD1 3.41Å; Y105-F141 AromaticContact CD2-CE1 3.46Å; Y105-F141 HydrophobicContact CD2-CE1 3.46Å; Y105-F141 VanDerWaalsContact CD2-CE1 3.46Å; Y105-F141 HydrophobicContact CD2-CG 4.22Å; Y105-F141 HydrophobicContact CD2-CZ 4.29Å; Y105-F141 HydrophobicContact CE2-CB 4.28Å; Y105-F141 AromaticContact CE2-CD1 3.45Å; Y105-F141 HydrophobicContact CE2-CD1 3.45Å; Y105-F141 VanDerWaalsContact CE2-CD1 3.45Å; Y105-F141 HydrophobicContact CE2-CD2 4.41Å; Y105-F141 AromaticContact CE2-CE1 3.83Å; Y105-F141 HydrophobicContact CE2-CE1 3.83Å; Y105-F141 AromaticContact CE2-CG 3.79Å; Y105-F141 HydrophobicContact CE2-CG 3.79Å; Y105-F141 HydrophobicContact CE2-CZ 4.45Å; Y105-F141 HydrophobicContact CG-CD1 4.39Å |
| 106 | D | 92.9 | Very high | 94.3 | Very high | 70 Ų | 70 | 33 Ų | 33 | 37% | 0.374 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -60.9 | -35.6 | -178.3 | -72.3 | -12.6 | 0 | 0 | 0 | 113 | Y57 Q102 | Y57-D106 HydrophobicContact CE2-CB 4.37Å; Y57-D106 WeakPolarHBondContact CE2-OD2 3.19Å; Y57-D106 PolarHBondContact OH-OD2 3.45Å; Y57-D106 VanDerWaalsContact OH-OD2 3.1Å; Q102-D106 PolarHBondContact NE2-OD1 2.89Å; Q102-D106 VanDerWaalsContact O-CB 3.27Å; Q102-D106 WeakPolarHBondContact O-CB 3.18Å; Q102-D106 PolarHBondContact O-N 3.06Å |
| 107 | N | 91.8 | Very high | 94.4 | Very high | 83 Ų | 83 | 32.8 Ų | 32.8 | 44% | 0.444 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -108.4 | -24.2 | -168.3 | -65.5 | -89.1 | 0 | 0 | 0 | 114.8 | Y103 Y105 | Y103-N107 WeakPolarHBondContact CD2-ND2 3.49Å; Y103-N107 WeakPolarHBondContact CE2-ND2 3.42Å; Y103-N107 WeakPolarHBondContact O-CB 3.25Å; Y103-N107 PolarHBondContact O-N 2.99Å; Y103-N107 VanDerWaalsContact O-N 3.12Å; Y103-N107 PolarHBondContact O-ND2 2.67Å; Y105-N107 VanDerWaalsContact C-N 3.3Å; Y105-N107 PolarHBondContact O-N 3.14Å |
| 108 | Y | 93.7 | Very high | 94.4 | Very high | 60 Ų | 60 | 32.7 Ų | 32.7 | 24% | 0.235 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -129.4 | -28.7 | -169.2 | -58.4 | -77.4 | 0 | 0 | 0 | 114.7 | K29 I30 L32 Y103 V104 | K29-Y108 WeakPolarHBondContact CD-O 3.49Å; K29-Y108 WeakPolarHBondContact CE-O 3.01Å; K29-Y108 PolarHBondContact NZ-O 3.46Å; I30-Y108 HydrophobicContact CB-CD1 4.01Å; I30-Y108 HydrophobicContact CB-CD2 4.4Å; I30-Y108 HydrophobicContact CB-CE1 4.18Å; I30-Y108 HydrophobicContact CB-CG 4.13Å; I30-Y108 HydrophobicContact CD1-CD1 4.2Å; I30-Y108 HydrophobicContact CD1-CE1 3.5Å; I30-Y108 HydrophobicContact CD1-CE2 4.36Å; I30-Y108 HydrophobicContact CG1-CD1 4.16Å; I30-Y108 HydrophobicContact CG1-CD2 4.3Å; I30-Y108 HydrophobicContact CG1-CE1 3.82Å; I30-Y108 HydrophobicContact CG1-CE2 3.96Å; I30-Y108 HydrophobicContact CG1-CG 4.38Å; I30-Y108 HydrophobicContact CG2-CD1 4.45Å; I30-Y108 HydrophobicContact CG2-CD2 4.13Å; I30-Y108 HydrophobicContact CG2-CG 4.06Å; L32-Y108 HydrophobicContact CD1-CE2 4.34Å; Y103-Y108 HydrophobicContact CD1-CE2 4.43Å; Y103-Y108 AromaticContact CE1-CE2 3.74Å; Y103-Y108 HydrophobicContact CE1-CE2 3.74Å; Y103-Y108 PolarHBondContact OH-OH 3.45Å; V104-Y108 PolarHBondContact O-N 2.99Å |
| 109 | V | 93.2 | Very high | 94.5 | Very high | 19 Ų | 19 | 31.6 Ų | 31.6 | 12% | 0.115 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -105.3 | -52.5 | -175.6 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | V9 V20 F22 V104 Y105 F115 | V9-V109 HydrophobicContact CG1-CG2 4.11Å; V9-V109 HydrophobicContact CG2-CG1 3.67Å; V20-V109 HydrophobicContact CG1-CG2 4.16Å; F22-V109 HydrophobicContact CE1-CG1 4.24Å; F22-V109 HydrophobicContact CZ-CG1 4.49Å; V104-V109 HydrophobicContact CG1-CG2 3.93Å; V104-V109 PolarHBondContact O-N 2.87Å; Y105-V109 HydrophobicContact CD1-CB 3.86Å; Y105-V109 HydrophobicContact CD1-CG1 3.87Å; Y105-V109 HydrophobicContact CD1-CG2 4.41Å; Y105-V109 HydrophobicContact CE1-CB 4.43Å; Y105-V109 HydrophobicContact CE1-CG1 4.07Å; V109-F115 HydrophobicContact CG1-CD2 3.76Å; V109-F115 HydrophobicContact CG1-CE2 3.98Å; V109-F115 HydrophobicContact CG1-CG 4.35Å |
| 110 | G | 92.3 | Very high | 94.7 | Very high | 39 Ų | 39 | 32 Ų | 32 | 40% | 0.402 | 17% | 0.174 | S | C | . | . | trans | 106.2 | -149.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y105 S112 | Y105-G110 WeakPolarHBondContact O-CA 3.2Å; Y105-G110 PolarHBondContact O-N 3.1Å; G110-S112 PolarHBondContact O-N 3.38Å | ||
| 111 | N | 93 | Very high | 94.8 | Very high | 78 Ų | 78 | 32.1 Ų | 32.1 | 42% | 0.417 | 18% | 0.175 | S | C | . | . | trans | -65.7 | 114.4 | -175.1 | -177.7 | 10.3 | 0 | 0 | 0 | 111.8 | S113 E114 F115 | N111-S113 PolarHBondContact ND2-OG 3.36Å; N111-S113 VanDerWaalsContact ND2-OG 3.1Å; N111-S113 PolarHBondContact O-N 2.9Å; N111-S113 PolarHBondContact OD1-N 2.9Å; N111-S113 PolarHBondContact OD1-OG 3.39Å; N111-S113 VanDerWaalsContact OD1-OG 3.08Å; N111-E114 HydrophobicContact CB-CG 4.23Å; N111-E114 PolarHBondContact ND2-OE1 3.24Å; N111-E114 PolarHBondContact O-N 2.98Å; N111-F115 WeakPolarHBondContact O-CD2 3.43Å | ||
| 112 | S | 93.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 33 Ų | 33 | 12% | 0.119 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -61.9 | -25.2 | -176.8 | 52 | 0 | 0 | 0 | 0 | 114.1 | G110 E114 F115 F141 | G110-S112 PolarHBondContact O-N 3.38Å; S112-E114 PolarHBondContact O-N 3.01Å; S112-F115 PolarHBondContact O-N 3.15Å; S112-F141 VanDerWaalsContact CB-O 3.3Å; S112-F141 WeakPolarHBondContact CB-O 3.39Å; S112-F141 PolarHBondContact OG-O 2.65Å |
| 113 | S | 93.6 | Very high | 94.9 | Very high | 57 Ų | 57 | 31 Ų | 31 | 40% | 0.399 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -74.4 | -9.9 | 179.7 | 71 | 0 | 0 | 0 | 0 | 114.1 | N111 G142 P144 | N111-S113 PolarHBondContact ND2-OG 3.36Å; N111-S113 VanDerWaalsContact ND2-OG 3.1Å; N111-S113 PolarHBondContact O-N 2.9Å; N111-S113 PolarHBondContact OD1-N 2.9Å; N111-S113 PolarHBondContact OD1-OG 3.39Å; N111-S113 VanDerWaalsContact OD1-OG 3.08Å; S113-G142 WeakPolarHBondContact CA-O 3.28Å; S113-P144 WeakPolarHBondContact O-CD 3.42Å |
| 114 | E | 92.8 | Very high | 94.9 | Very high | 125 Ų | 125 | 31.9 Ų | 31.9 | 58% | 0.584 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -89.6 | -13.7 | 179.1 | -69.6 | 170.1 | -157.1 | 0 | 0 | 112.6 | N111 S112 | N111-E114 HydrophobicContact CB-CG 4.23Å; N111-E114 PolarHBondContact ND2-OE1 3.24Å; N111-E114 PolarHBondContact O-N 2.98Å; S112-E114 PolarHBondContact O-N 3.01Å |
| 115 | F | 94.1 | Very high | 95 | Very high | 29 Ų | 29 | 33.4 Ų | 33.4 | 13% | 0.127 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -124.6 | 131.8 | -170.4 | -59.9 | -79.3 | 0 | 0 | 0 | 112.6 | S7 V9 F22 V109 N111 S112 P144 | S7-F115 WeakPolarHBondContact O-CA 3.37Å; V9-F115 HydrophobicContact CG2-CB 3.65Å; V9-F115 HydrophobicContact CG2-CD1 3.95Å; V9-F115 HydrophobicContact CG2-CD2 4.42Å; V9-F115 HydrophobicContact CG2-CG 3.75Å; F22-F115 HydrophobicContact CD1-CD1 4.4Å; F22-F115 HydrophobicContact CD1-CE1 4.19Å; F22-F115 HydrophobicContact CE1-CD1 4.13Å; F22-F115 AromaticContact CE1-CE1 3.7Å; F22-F115 HydrophobicContact CE1-CE1 3.7Å; F22-F115 AromaticContact CE1-CZ 3.97Å; F22-F115 HydrophobicContact CE1-CZ 3.97Å; V109-F115 HydrophobicContact CG1-CD2 3.76Å; V109-F115 HydrophobicContact CG1-CE2 3.98Å; V109-F115 HydrophobicContact CG1-CG 4.35Å; N111-F115 WeakPolarHBondContact O-CD2 3.43Å; S112-F115 PolarHBondContact O-N 3.15Å; F115-P144 VanDerWaalsContact O-CD 3.31Å; F115-P144 WeakPolarHBondContact O-CD 3.47Å |
| 116 | S | 95.7 | Very high | 95.1 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 145.2 | 167.1 | -61 | 0 | 0 | 0 | 0 | 110.3 | I6 S7 A8 V9 A145 | I6-S116 WeakPolarHBondContact CG2-OG 3.46Å; S7-S116 PolarHBondContact O-N 3.35Å; A8-S116 CarbonylContact C-O 3.58Å; A8-S116 VanDerWaalsContact CA-O 3.26Å; A8-S116 WeakPolarHBondContact CA-O 3.43Å; V9-S116 PolarHBondContact N-O 3.06Å; S116-A145 CarbonylContact C-O 3.39Å; S116-A145 VanDerWaalsContact CA-O 3.3Å; S116-A145 WeakPolarHBondContact CA-O 3.48Å; S116-A145 WeakPolarHBondContact OG-CB 3.5Å |
| 117 | A | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 118.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F11 F119 L137 A145 F146 F147 | F11-A117 HydrophobicContact CD2-CB 4.24Å; F11-A117 HydrophobicContact CE2-CB 3.8Å; A117-F119 HydrophobicContact CB-CD2 4.36Å; A117-F119 HydrophobicContact CB-CE2 4.29Å; A117-L137 HydrophobicContact CB-CD1 4.26Å; A117-A145 PolarHBondContact N-O 3.02Å; A117-F146 HydrophobicContact CB-CD2 4.42Å; A117-F146 WeakPolarHBondContact O-CA 3.37Å; A117-F146 VanDerWaalsContact O-CD2 3.3Å; A117-F146 WeakPolarHBondContact O-CD2 3.43Å; A117-F147 PolarHBondContact O-N 2.92Å |
| 118 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.9 | 164.9 | -173.4 | 150.6 | 0 | 0 | 0 | 108.9 | V9 V10 F11 F147 A149 L154 L391 F397 W401 | V9-L118 PolarHBondContact O-N 3.34Å; V10-L118 WeakPolarHBondContact CA-O 3.3Å; V10-L118 HydrophobicContact CG1-CD2 4.04Å; V10-L118 HydrophobicContact CG2-CB 4.42Å; F11-L118 PolarHBondContact N-O 3.32Å; L118-F147 WeakPolarHBondContact CA-O 3.32Å; L118-F147 HydrophobicContact CD1-CD1 4.44Å; L118-A149 HydrophobicContact CD2-CB 4.37Å; L118-L154 HydrophobicContact CD2-CD1 4.05Å; L118-L391 HydrophobicContact CD1-CD2 4.39Å; L118-F397 HydrophobicContact CD1-CE1 4.03Å; L118-F397 HydrophobicContact CD1-CZ 4.13Å; L118-W401 HydrophobicContact CB-CH2 3.83Å; L118-W401 HydrophobicContact CB-CZ3 3.99Å; L118-W401 HydrophobicContact CD1-CH2 4.44Å |
| 119 | F | 98 | Very high | 95.6 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 145.1 | 172.6 | -91.2 | -99.3 | 0 | 0 | 0 | 111.8 | F11 F18 F97 L101 A117 L133 L137 F146 F147 L148 A149 | F11-F119 HydrophobicContact CB-CD1 3.54Å; F11-F119 HydrophobicContact CB-CD2 3.84Å; F11-F119 HydrophobicContact CB-CE1 3.3Å; F11-F119 HydrophobicContact CB-CE2 3.63Å; F11-F119 HydrophobicContact CB-CG 3.8Å; F11-F119 HydrophobicContact CB-CZ 3.36Å; F11-F119 HydrophobicContact CD1-CE1 4.27Å; F11-F119 HydrophobicContact CD1-CE2 4.08Å; F11-F119 AromaticContact CD1-CZ 3.65Å; F11-F119 HydrophobicContact CD1-CZ 3.65Å; F11-F119 AromaticContact CD2-CD2 3.67Å; F11-F119 HydrophobicContact CD2-CD2 3.67Å; F11-F119 HydrophobicContact CD2-CE1 4.45Å; F11-F119 AromaticContact CD2-CE2 3.2Å; F11-F119 HydrophobicContact CD2-CE2 3.2Å; F11-F119 HydrophobicContact CD2-CG 4.47Å; F11-F119 AromaticContact CD2-CZ 3.66Å; F11-F119 HydrophobicContact CD2-CZ 3.66Å; F11-F119 HydrophobicContact CE1-CZ 4.3Å; F11-F119 HydrophobicContact CE2-CD2 4.49Å; F11-F119 AromaticContact CE2-CE2 3.78Å; F11-F119 HydrophobicContact CE2-CE2 3.78Å; F11-F119 HydrophobicContact CE2-CZ 4.31Å; F11-F119 HydrophobicContact CG-CD1 4.36Å; F11-F119 AromaticContact CG-CD2 3.98Å; F11-F119 HydrophobicContact CG-CD2 3.98Å; F11-F119 AromaticContact CG-CE1 3.8Å; F11-F119 HydrophobicContact CG-CE1 3.8Å; F11-F119 AromaticContact CG-CE2 3.37Å; F11-F119 HydrophobicContact CG-CE2 3.37Å; F11-F119 HydrophobicContact CG-CG 4.44Å; F11-F119 AromaticContact CG-CZ 3.27Å; F11-F119 HydrophobicContact CG-CZ 3.27Å; F11-F119 HydrophobicContact CZ-CE2 4.42Å; F11-F119 CarbonylContact O-C 3.56Å; F11-F119 WeakPolarHBondContact O-CA 3.35Å; F18-F119 HydrophobicContact CE2-CE1 4.1Å; F18-F119 HydrophobicContact CZ-CE1 4.06Å; F18-F119 HydrophobicContact CZ-CZ 4.4Å; F97-F119 HydrophobicContact CE1-CE1 4.22Å; F97-F119 AromaticContact CZ-CE1 3.88Å; F97-F119 HydrophobicContact CZ-CE1 3.88Å; L101-F119 HydrophobicContact CD1-CZ 4.37Å; L101-F119 HydrophobicContact CD2-CE1 4.16Å; L101-F119 HydrophobicContact CD2-CZ 3.63Å; A117-F119 HydrophobicContact CB-CD2 4.36Å; A117-F119 HydrophobicContact CB-CE2 4.29Å; F119-L133 HydrophobicContact CB-CD2 3.87Å; F119-L133 HydrophobicContact CD1-CD1 4.39Å; F119-L133 HydrophobicContact CD1-CD2 4.03Å; F119-L133 HydrophobicContact CE1-CD1 4.38Å; F119-L133 HydrophobicContact CG-CD2 3.88Å; F119-L137 HydrophobicContact CD2-CD1 3.62Å; F119-L137 HydrophobicContact CE2-CD1 3.61Å; F119-L137 HydrophobicContact CE2-CD2 3.72Å; F119-L137 HydrophobicContact CE2-CG 4.28Å; F119-L137 HydrophobicContact CZ-CD2 4.3Å; F119-F146 HydrophobicContact CB-CE2 4.12Å; F119-F146 HydrophobicContact CD2-CE2 4.09Å; F119-F146 HydrophobicContact CG-CE2 4.47Å; F119-F147 PolarHBondContact N-O 3.17Å; F119-L148 HydrophobicContact CB-CD1 3.56Å; F119-A149 PolarHBondContact O-N 3.01Å |
| 120 | T | 97.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.049 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 150.4 | 166 | 76.7 | 0 | 0 | 0 | 0 | 111 | F11 D12 A13 A149 S151 L154 A384 | F11-T120 PolarHBondContact O-N 3.38Å; D12-T120 VanDerWaalsContact CA-OG1 3.32Å; D12-T120 WeakPolarHBondContact CA-OG1 3.45Å; D12-T120 HydrophobicContact CB-CG2 3.78Å; D12-T120 WeakPolarHBondContact OD1-CB 3.36Å; D12-T120 WeakPolarHBondContact OD1-CG2 3.12Å; D12-T120 PolarHBondContact OD1-OG1 2.95Å; A13-T120 PolarHBondContact N-OG1 2.99Å; T120-A149 CarbonylContact C-O 3.58Å; T120-A149 VanDerWaalsContact CA-O 3.25Å; T120-A149 WeakPolarHBondContact CA-O 3.49Å; T120-S151 WeakPolarHBondContact CB-OG 3.3Å; T120-L154 HydrophobicContact CG2-CD1 3.57Å; T120-A384 HydrophobicContact CG2-CB 4.3Å |
| 121 | E | 97.4 | Very high | 96 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 152.5 | 171.5 | 67.9 | 177 | 159.2 | 0 | 0 | 112.3 | N125 R130 L148 A149 K150 S151 | E121-N125 HydrophobicContact CB-CB 4.18Å; E121-N125 HydrophobicContact CG-CB 4.43Å; E121-N125 VanDerWaalsContact OE2-CB 3.29Å; E121-N125 WeakPolarHBondContact OE2-CB 3.39Å; E121-N125 PolarHBondContact OE2-ND2 2.8Å; E121-R130 IonicContact OE1-CZ 2.64Å; E121-R130 IonicContact OE1-NE 2.97Å; E121-R130 PolarHBondContact OE1-NE 3.32Å; E121-R130 IonicContact OE1-NH2 2.68Å; E121-R130 PolarHBondContact OE1-NH2 3.14Å; E121-R130 WeakPolarHBondContact OE2-CD 3.4Å; E121-R130 VanDerWaalsContact OE2-CG 3.31Å; E121-R130 WeakPolarHBondContact OE2-CG 3.33Å; E121-R130 IonicContact OE2-CZ 3.85Å; E121-R130 IonicContact OE2-NE 3.33Å; E121-R130 PolarHBondContact OE2-NE 2.95Å; E121-L148 HydrophobicContact CB-CD1 4Å; E121-L148 HydrophobicContact CB-CD2 4.49Å; E121-L148 HydrophobicContact CB-CG 4.16Å; E121-L148 VanDerWaalsContact CD-CD2 3.45Å; E121-L148 VanDerWaalsContact CD-CG 3.41Å; E121-L148 HydrophobicContact CG-CD1 4.27Å; E121-L148 HydrophobicContact CG-CD2 4.37Å; E121-L148 HydrophobicContact CG-CG 3.92Å; E121-L148 WeakPolarHBondContact OE1-CG 3.35Å; E121-L148 WeakPolarHBondContact OE2-CD2 3.26Å; E121-A149 PolarHBondContact N-O 3.26Å; E121-K150 HydrophobicContact CG-CG 4.13Å; E121-K150 CarbonylContact O-C 3.54Å; E121-K150 VanDerWaalsContact O-CA 3.3Å; E121-K150 WeakPolarHBondContact O-CA 3.2Å; E121-S151 PolarHBondContact O-N 3.47Å; E121-S151 PolarHBondContact O-OG 2.97Å |
| 122 | P | 96.8 | Very high | 96.2 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | trans | -66.6 | 153.5 | 170 | 28.5 | -34.7 | 0 | 0 | 0 | 111.5 | G89 M90 W124 N125 | G89-P122 WeakPolarHBondContact O-CD 3.14Å; G89-P122 WeakPolarHBondContact O-CG 3.22Å; M90-P122 HydrophobicContact CG-CG 3.94Å; P122-W124 HydrophobicContact CB-CD2 3.94Å; P122-W124 HydrophobicContact CB-CE3 4.4Å; P122-W124 HydrophobicContact CB-CG 4.42Å; P122-W124 HydrophobicContact CB-CH2 4.11Å; P122-W124 HydrophobicContact CB-CZ2 3.59Å; P122-W124 HydrophobicContact CB-CZ3 4.49Å; P122-W124 PolarHBondContact O-N 3.17Å; P122-W124 VanDerWaalsContact O-N 3.11Å; P122-N125 HydrophobicContact CG-CB 4.04Å; P122-N125 WeakPolarHBondContact O-CB 3.35Å; P122-N125 PolarHBondContact O-N 2.93Å | ||
| 123 | A | 96 | Very high | 96.4 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 10% | 0.099 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V177 C184 I189 | A123-V177 HydrophobicContact CB-CG2 4.38Å; A123-C184 VanDerWaalsContact CB-SG 3.53Å; A123-I189 HydrophobicContact CB-CD1 3.65Å; A123-I189 HydrophobicContact CB-CG1 4.14Å |
| 124 | W | 96 | Very high | 96.6 | Very high | 40 Ų | 40 | 34.6 Ų | 34.6 | 15% | 0.152 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 15.3 | 177.9 | 55.6 | 85.5 | 0 | 0 | 0 | 113.2 | D88 P122 Y175 I189 R191 | D88-W124 PolarHBondContact O-NE1 3.31Å; P122-W124 HydrophobicContact CB-CD2 3.94Å; P122-W124 HydrophobicContact CB-CE3 4.4Å; P122-W124 HydrophobicContact CB-CG 4.42Å; P122-W124 HydrophobicContact CB-CH2 4.11Å; P122-W124 HydrophobicContact CB-CZ2 3.59Å; P122-W124 HydrophobicContact CB-CZ3 4.49Å; P122-W124 PolarHBondContact O-N 3.17Å; P122-W124 VanDerWaalsContact O-N 3.11Å; W124-Y175 AromaticContact CH2-CD1 3.5Å; W124-Y175 HydrophobicContact CH2-CD1 3.5Å; W124-Y175 HydrophobicContact CH2-CD2 4.07Å; W124-Y175 AromaticContact CH2-CE1 3.81Å; W124-Y175 HydrophobicContact CH2-CE1 3.81Å; W124-Y175 HydrophobicContact CH2-CE2 4.36Å; W124-Y175 AromaticContact CH2-CG 3.63Å; W124-Y175 HydrophobicContact CH2-CG 3.63Å; W124-Y175 HydrophobicContact CZ3-CD1 4.05Å; W124-Y175 AromaticContact CZ3-CD2 3.75Å; W124-Y175 HydrophobicContact CZ3-CD2 3.75Å; W124-Y175 HydrophobicContact CZ3-CE1 4.42Å; W124-Y175 HydrophobicContact CZ3-CE2 4.17Å; W124-Y175 AromaticContact CZ3-CG 3.69Å; W124-Y175 HydrophobicContact CZ3-CG 3.69Å; W124-I189 HydrophobicContact CB-CD1 4.41Å; W124-I189 HydrophobicContact CE3-CD1 4.29Å; W124-I189 HydrophobicContact CE3-CG2 3.84Å; W124-I189 HydrophobicContact CZ3-CG2 4.22Å; W124-R191 HydrophobicContact CZ3-CG 4.36Å |
| 125 | N | 96.6 | Very high | 96.8 | Very high | 32 Ų | 32 | 31.6 Ų | 31.6 | 17% | 0.171 | 15% | 0.145 | C | C | . | . | trans | -58.9 | 142.3 | 178.2 | -163.1 | 14.6 | 0 | 0 | 0 | 111.3 | E121 P122 K129 R130 | E121-N125 HydrophobicContact CB-CB 4.18Å; E121-N125 HydrophobicContact CG-CB 4.43Å; E121-N125 VanDerWaalsContact OE2-CB 3.29Å; E121-N125 WeakPolarHBondContact OE2-CB 3.39Å; E121-N125 PolarHBondContact OE2-ND2 2.8Å; P122-N125 HydrophobicContact CG-CB 4.04Å; P122-N125 WeakPolarHBondContact O-CB 3.35Å; P122-N125 PolarHBondContact O-N 2.93Å; N125-K129 WeakPolarHBondContact OD1-CB 3.46Å; N125-R130 HydrophobicContact CB-CG 4.47Å; N125-R130 WeakPolarHBondContact ND2-CG 3.35Å | ||
| 126 | R | 96.2 | Very high | 96.9 | Very high | 128 Ų | 128 | 31.1 Ų | 31.1 | 48% | 0.483 | 14% | 0.143 | S | C | . | . | trans | -88.7 | 147.4 | -175.3 | -63 | 166.6 | 45.1 | 164.9 | -3.6 | 111.6 | M90 D128 K129 R130 | M90-R126 HydrophobicContact SD-CG 4.04Å; R126-D128 VanDerWaalsContact C-N 3.3Å; R126-D128 WeakPolarHBondContact CB-OD1 3.45Å; R126-D128 IonicContact CZ-OD1 3.45Å; R126-D128 IonicContact CZ-OD2 3.25Å; R126-D128 IonicContact NE-OD1 3.57Å; R126-D128 PolarHBondContact NE-OD1 2.89Å; R126-D128 IonicContact NE-OD2 3.43Å; R126-D128 IonicContact NH2-OD1 2.78Å; R126-D128 PolarHBondContact NH2-OD1 2.96Å; R126-D128 IonicContact NH2-OD2 3.75Å; R126-D128 PolarHBondContact NH2-OD2 2.9Å; R126-D128 PolarHBondContact O-N 2.91Å; R126-K129 HydrophobicContact CB-CG 4.18Å; R126-K129 PolarHBondContact O-N 3.39Å; R126-R130 WeakPolarHBondContact O-CG 3.3Å; R126-R130 PolarHBondContact O-N 3.48Å; R126-R130 VanDerWaalsContact O-N 3.12Å | ||
| 127 | K | 96 | Very high | 96.9 | Very high | 128 Ų | 128 | 30.9 Ų | 30.9 | 56% | 0.557 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -50.1 | -46.7 | 179 | 171.6 | 172 | 174.7 | -172.9 | 0 | 113.3 | K129 R130 E131 V416 | K127-K129 VanDerWaalsContact C-N 3.31Å; K127-K129 PolarHBondContact O-N 2.97Å; K127-R130 PolarHBondContact O-N 3.1Å; K127-E131 WeakPolarHBondContact CE-OE1 3.45Å; K127-E131 IonicContact NZ-OE1 3.19Å; K127-E131 WeakPolarHBondContact O-CG 3.3Å; K127-E131 PolarHBondContact O-N 3.36Å; K127-V416 HydrophobicContact CD-CG2 4.09Å; K127-V416 HydrophobicContact CG-CG2 3.77Å |
| 128 | D | 96.4 | Very high | 96.9 | Very high | 56 Ų | 56 | 31 Ų | 31 | 30% | 0.299 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -61.3 | -39.1 | -179.2 | 54.1 | -48.1 | 0 | 0 | 0 | 112.3 | R126 E131 Q132 | R126-D128 VanDerWaalsContact C-N 3.3Å; R126-D128 WeakPolarHBondContact CB-OD1 3.45Å; R126-D128 IonicContact CZ-OD1 3.45Å; R126-D128 IonicContact CZ-OD2 3.25Å; R126-D128 IonicContact NE-OD1 3.57Å; R126-D128 PolarHBondContact NE-OD1 2.89Å; R126-D128 IonicContact NE-OD2 3.43Å; R126-D128 IonicContact NH2-OD1 2.78Å; R126-D128 PolarHBondContact NH2-OD1 2.96Å; R126-D128 IonicContact NH2-OD2 3.75Å; R126-D128 PolarHBondContact NH2-OD2 2.9Å; R126-D128 PolarHBondContact O-N 2.91Å; D128-E131 PolarHBondContact O-N 3.3Å; D128-Q132 WeakPolarHBondContact O-CB 3.35Å; D128-Q132 VanDerWaalsContact O-CG 3.31Å; D128-Q132 WeakPolarHBondContact O-CG 3.22Å; D128-Q132 PolarHBondContact O-N 2.88Å |
| 129 | K | 97.1 | Very high | 96.9 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 7% | 0.074 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.9 | -38.2 | 178.3 | -55.7 | -57.2 | -168.5 | 164 | 0 | 112.3 | I91 E92 W94 N125 R126 K127 Q132 L133 | I91-K129 WeakPolarHBondContact O-CD 3.25Å; I91-K129 WeakPolarHBondContact O-CE 3.36Å; I91-K129 PolarHBondContact O-NZ 2.89Å; I91-K129 VanDerWaalsContact O-NZ 3.16Å; E92-K129 VanDerWaalsContact CD-NZ 3.33Å; E92-K129 IonicContact OE1-NZ 3.58Å; E92-K129 WeakPolarHBondContact OE2-CE 3.23Å; E92-K129 IonicContact OE2-NZ 2.69Å; E92-K129 PolarHBondContact OE2-NZ 3.44Å; W94-K129 VanDerWaalsContact CH2-O 3.3Å; W94-K129 WeakPolarHBondContact CH2-O 3.29Å; W94-K129 HydrophobicContact CZ2-CB 4.21Å; W94-K129 HydrophobicContact CZ2-CD 4.07Å; W94-K129 WeakPolarHBondContact CZ2-O 3.49Å; N125-K129 WeakPolarHBondContact OD1-CB 3.46Å; R126-K129 HydrophobicContact CB-CG 4.18Å; R126-K129 PolarHBondContact O-N 3.39Å; K127-K129 VanDerWaalsContact C-N 3.31Å; K127-K129 PolarHBondContact O-N 2.97Å; K129-Q132 PolarHBondContact O-N 3.31Å; K129-L133 PolarHBondContact O-N 3.2Å |
| 130 | R | 97.6 | Very high | 96.7 | Very high | 22 Ų | 22 | 43 Ų | 43 | 8% | 0.083 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 175.2 | -59.5 | 176.2 | 91.3 | -152.9 | -4.1 | 111.3 | E121 N125 R126 K127 L133 A134 L148 V415 C419 | E121-R130 IonicContact OE1-CZ 2.64Å; E121-R130 IonicContact OE1-NE 2.97Å; E121-R130 PolarHBondContact OE1-NE 3.32Å; E121-R130 IonicContact OE1-NH2 2.68Å; E121-R130 PolarHBondContact OE1-NH2 3.14Å; E121-R130 WeakPolarHBondContact OE2-CD 3.4Å; E121-R130 VanDerWaalsContact OE2-CG 3.31Å; E121-R130 WeakPolarHBondContact OE2-CG 3.33Å; E121-R130 IonicContact OE2-CZ 3.85Å; E121-R130 IonicContact OE2-NE 3.33Å; E121-R130 PolarHBondContact OE2-NE 2.95Å; N125-R130 HydrophobicContact CB-CG 4.47Å; N125-R130 WeakPolarHBondContact ND2-CG 3.35Å; R126-R130 WeakPolarHBondContact O-CG 3.3Å; R126-R130 PolarHBondContact O-N 3.48Å; R126-R130 VanDerWaalsContact O-N 3.12Å; K127-R130 PolarHBondContact O-N 3.1Å; R130-L133 PolarHBondContact O-N 2.85Å; R130-A134 PolarHBondContact O-N 2.96Å; R130-L148 HydrophobicContact CB-CD2 3.86Å; R130-L148 HydrophobicContact CG-CD2 3.73Å; R130-V415 HydrophobicContact CB-CG1 3.95Å; R130-V415 HydrophobicContact CB-CG2 4.48Å; R130-C419 PolarHBondContact NH1-O 3.38Å; R130-C419 VanDerWaalsContact NH1-O 3.14Å; R130-C419 PolarHBondContact NH2-O 3.18Å |
| 131 | E | 97.2 | Very high | 96.7 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 11% | 0.107 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -43.4 | 177 | -74.2 | -176.4 | -174.5 | 0 | 0 | 112.1 | K127 D128 L133 A134 E135 R412 V415 | K127-E131 WeakPolarHBondContact CE-OE1 3.45Å; K127-E131 IonicContact NZ-OE1 3.19Å; K127-E131 WeakPolarHBondContact O-CG 3.3Å; K127-E131 PolarHBondContact O-N 3.36Å; D128-E131 PolarHBondContact O-N 3.3Å; E131-L133 PolarHBondContact O-N 3.18Å; E131-A134 PolarHBondContact O-N 2.74Å; E131-E135 WeakPolarHBondContact O-CB 3.41Å; E131-E135 PolarHBondContact O-N 2.87Å; E131-R412 HydrophobicContact CB-CB 4.09Å; E131-R412 HydrophobicContact CB-CG 3.83Å; E131-R412 HydrophobicContact CG-CB 4.29Å; E131-R412 HydrophobicContact CG-CG 3.92Å; E131-R412 IonicContact OE2-CZ 3.92Å; E131-R412 IonicContact OE2-NE 3.03Å; E131-R412 PolarHBondContact OE2-NE 2.7Å; E131-V415 HydrophobicContact CG-CG1 4.15Å |
| 132 | Q | 97.1 | Very high | 96.6 | Very high | 72 Ų | 72 | 43.6 Ų | 43.6 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.6 | -37.7 | 176.8 | -76.4 | 175 | -27.3 | 0 | 0 | 112.8 | W94 D128 K129 E135 L136 | W94-Q132 HydrophobicContact CD2-CB 4.24Å; W94-Q132 VanDerWaalsContact CE2-OE1 3.26Å; W94-Q132 HydrophobicContact CH2-CB 3.81Å; W94-Q132 HydrophobicContact CZ2-CB 3.43Å; W94-Q132 VanDerWaalsContact CZ2-CB 3.43Å; W94-Q132 HydrophobicContact CZ2-CG 4.45Å; W94-Q132 HydrophobicContact CZ3-CB 4.33Å; D128-Q132 WeakPolarHBondContact O-CB 3.35Å; D128-Q132 VanDerWaalsContact O-CG 3.31Å; D128-Q132 WeakPolarHBondContact O-CG 3.22Å; D128-Q132 PolarHBondContact O-N 2.88Å; K129-Q132 PolarHBondContact O-N 3.31Å; Q132-E135 PolarHBondContact O-N 2.88Å; Q132-L136 WeakPolarHBondContact O-CB 3.39Å; Q132-L136 PolarHBondContact O-N 3.12Å |
| 133 | L | 97.5 | Very high | 96.5 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | 174.9 | -175.2 | 57.6 | 0 | 0 | 0 | 111.9 | I91 W94 F97 F119 K129 R130 E131 L136 L137 F146 L148 | I91-L133 HydrophobicContact CD1-CD1 4.35Å; W94-L133 HydrophobicContact CH2-CB 3.8Å; W94-L133 HydrophobicContact CZ3-CB 4.02Å; W94-L133 HydrophobicContact CZ3-CD1 4.1Å; F97-L133 HydrophobicContact CE1-CD1 4.07Å; F119-L133 HydrophobicContact CB-CD2 3.87Å; F119-L133 HydrophobicContact CD1-CD1 4.39Å; F119-L133 HydrophobicContact CD1-CD2 4.03Å; F119-L133 HydrophobicContact CE1-CD1 4.38Å; F119-L133 HydrophobicContact CG-CD2 3.88Å; K129-L133 PolarHBondContact O-N 3.2Å; R130-L133 PolarHBondContact O-N 2.85Å; E131-L133 PolarHBondContact O-N 3.18Å; L133-L136 PolarHBondContact O-N 3.32Å; L133-L137 HydrophobicContact CD1-CD1 4.07Å; L133-L137 HydrophobicContact CD1-CG 4.29Å; L133-L137 HydrophobicContact CG-CD1 4.03Å; L133-L137 WeakPolarHBondContact O-CG 3.19Å; L133-L137 PolarHBondContact O-N 2.86Å; L133-F146 HydrophobicContact CD2-CE2 4.39Å; L133-F146 HydrophobicContact CD2-CZ 4.12Å; L133-F146 HydrophobicContact CG-CE2 4.41Å; L133-F146 HydrophobicContact CG-CZ 4.13Å; L133-L148 HydrophobicContact CD2-CD1 3.71Å |
| 134 | A | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R130 E131 L137 F138 F146 Y407 V415 | R130-A134 PolarHBondContact O-N 2.96Å; E131-A134 PolarHBondContact O-N 2.74Å; A134-L137 PolarHBondContact O-N 2.95Å; A134-F138 VanDerWaalsContact O-CD2 3.31Å; A134-F138 WeakPolarHBondContact O-CD2 3.46Å; A134-F138 PolarHBondContact O-N 3.37Å; A134-F146 HydrophobicContact CB-CD1 4.05Å; A134-F146 HydrophobicContact CB-CE1 3.81Å; A134-Y407 HydrophobicContact CB-CE2 4.1Å; A134-V415 HydrophobicContact CB-CB 4.46Å |
| 135 | E | 96.6 | Very high | 96.5 | Very high | 63 Ų | 63 | 43.2 Ų | 43.2 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.6 | -49.8 | 174.3 | -170.9 | 176.4 | 140.9 | 0 | 0 | 111.4 | E131 Q132 L137 E139 Y407 R412 | E131-E135 WeakPolarHBondContact O-CB 3.41Å; E131-E135 PolarHBondContact O-N 2.87Å; Q132-E135 PolarHBondContact O-N 2.88Å; E135-L137 VanDerWaalsContact C-N 3.35Å; E135-L137 PolarHBondContact O-N 2.8Å; E135-E139 HydrophobicContact CG-CG 4.32Å; E135-E139 VanDerWaalsContact O-CB 3.23Å; E135-E139 WeakPolarHBondContact O-CB 3.23Å; E135-E139 WeakPolarHBondContact O-CG 3.48Å; E135-E139 PolarHBondContact O-N 3Å; E135-Y407 WeakPolarHBondContact CA-OH 3.44Å; E135-R412 IonicContact OE2-CZ 3.91Å; E135-R412 IonicContact OE2-NH1 2.88Å; E135-R412 PolarHBondContact OE2-NH1 3.43Å |
| 136 | L | 97 | Very high | 96.4 | Very high | 19 Ų | 19 | 41.7 Ų | 41.7 | 10% | 0.099 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -57.1 | -45.9 | 177.6 | -176.8 | 60.9 | 0 | 0 | 0 | 112.5 | W94 F97 E98 L101 Q132 L133 K140 F141 | W94-L136 HydrophobicContact CE3-CD2 4.07Å; W94-L136 HydrophobicContact CZ3-CD2 4.31Å; F97-L136 HydrophobicContact CD1-CD2 4.22Å; E98-L136 HydrophobicContact CB-CD1 4.22Å; E98-L136 HydrophobicContact CB-CD2 4.45Å; E98-L136 HydrophobicContact CG-CD1 4.04Å; L101-L136 HydrophobicContact CD1-CD2 3.72Å; L101-L136 HydrophobicContact CD1-CG 4.38Å; Q132-L136 WeakPolarHBondContact O-CB 3.39Å; Q132-L136 PolarHBondContact O-N 3.12Å; L133-L136 PolarHBondContact O-N 3.32Å; L136-K140 HydrophobicContact CD1-CB 4.03Å; L136-K140 HydrophobicContact CD1-CD 3.86Å; L136-K140 WeakPolarHBondContact O-CB 3.49Å; L136-K140 PolarHBondContact O-N 2.98Å; L136-K140 VanDerWaalsContact O-N 3.15Å; L136-F141 HydrophobicContact CD1-CD2 4.3Å; L136-F141 HydrophobicContact CD1-CE2 3.96Å; L136-F141 HydrophobicContact CD2-CE2 4.45Å; L136-F141 HydrophobicContact CG-CD2 4.11Å; L136-F141 HydrophobicContact CG-CE2 3.97Å; L136-F141 PolarHBondContact O-N 2.81Å; L136-F141 VanDerWaalsContact O-N 3.17Å |
| 137 | L | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -73.5 | -43 | -175.5 | -67.2 | 170.5 | 0 | 0 | 0 | 113.1 | L101 A117 F119 L133 A134 E135 F141 G142 S143 F146 | L101-L137 HydrophobicContact CD1-CD2 4.36Å; A117-L137 HydrophobicContact CB-CD1 4.26Å; F119-L137 HydrophobicContact CD2-CD1 3.62Å; F119-L137 HydrophobicContact CE2-CD1 3.61Å; F119-L137 HydrophobicContact CE2-CD2 3.72Å; F119-L137 HydrophobicContact CE2-CG 4.28Å; F119-L137 HydrophobicContact CZ-CD2 4.3Å; L133-L137 HydrophobicContact CD1-CD1 4.07Å; L133-L137 HydrophobicContact CD1-CG 4.29Å; L133-L137 HydrophobicContact CG-CD1 4.03Å; L133-L137 WeakPolarHBondContact O-CG 3.19Å; L133-L137 PolarHBondContact O-N 2.86Å; A134-L137 PolarHBondContact O-N 2.95Å; E135-L137 VanDerWaalsContact C-N 3.35Å; E135-L137 PolarHBondContact O-N 2.8Å; L137-F141 HydrophobicContact CD2-CD2 4.44Å; L137-F141 CarbonylContact O-C 3.59Å; L137-G142 PolarHBondContact O-N 2.94Å; L137-S143 PolarHBondContact O-N 2.77Å; L137-F146 HydrophobicContact CD1-CD2 3.29Å; L137-F146 HydrophobicContact CD1-CE2 3.27Å; L137-F146 HydrophobicContact CD1-CG 4.14Å; L137-F146 HydrophobicContact CD1-CZ 4.09Å |
| 138 | F | 96.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -77.5 | -44.9 | -179.3 | -77.1 | -61.5 | 0 | 0 | 0 | 113 | A134 G142 S143 F146 I402 K404 Y407 | A134-F138 VanDerWaalsContact O-CD2 3.31Å; A134-F138 WeakPolarHBondContact O-CD2 3.46Å; A134-F138 PolarHBondContact O-N 3.37Å; F138-G142 WeakPolarHBondContact O-CA 3.24Å; F138-G142 PolarHBondContact O-N 2.94Å; F138-S143 WeakPolarHBondContact CD1-O 3.33Å; F138-S143 WeakPolarHBondContact CE1-O 3.47Å; F138-F146 HydrophobicContact CE1-CB 4.3Å; F138-F146 HydrophobicContact CE2-CB 3.68Å; F138-F146 HydrophobicContact CE2-CD1 4.18Å; F138-F146 HydrophobicContact CE2-CG 4.35Å; F138-F146 HydrophobicContact CZ-CB 3.52Å; F138-I402 HydrophobicContact CE2-CG2 4.02Å; F138-I402 HydrophobicContact CZ-CB 4.3Å; F138-I402 HydrophobicContact CZ-CG2 3.93Å; F138-I402 WeakPolarHBondContact CZ-O 3.42Å; F138-K404 HydrophobicContact CD1-CB 3.96Å; F138-K404 HydrophobicContact CD1-CG 4.15Å; F138-K404 HydrophobicContact CE1-CB 3.98Å; F138-Y407 HydrophobicContact CB-CD1 3.79Å; F138-Y407 HydrophobicContact CB-CE1 3.84Å; F138-Y407 HydrophobicContact CB-CG 4.19Å; F138-Y407 AromaticContact CD2-CD1 3.88Å; F138-Y407 HydrophobicContact CD2-CD1 3.88Å; F138-Y407 AromaticContact CD2-CD2 3.29Å; F138-Y407 HydrophobicContact CD2-CD2 3.29Å; F138-Y407 HydrophobicContact CD2-CE1 4.32Å; F138-Y407 AromaticContact CD2-CE2 3.76Å; F138-Y407 HydrophobicContact CD2-CE2 3.76Å; F138-Y407 AromaticContact CD2-CG 3.35Å; F138-Y407 HydrophobicContact CD2-CG 3.35Å; F138-Y407 AromaticContact CE2-CD2 3.66Å; F138-Y407 HydrophobicContact CE2-CD2 3.66Å; F138-Y407 HydrophobicContact CE2-CE2 4.47Å; F138-Y407 AromaticContact CE2-CG 3.76Å; F138-Y407 HydrophobicContact CE2-CG 3.76Å; F138-Y407 AromaticContact CG-CD1 3.89Å; F138-Y407 HydrophobicContact CG-CD1 3.89Å; F138-Y407 HydrophobicContact CG-CD2 4.16Å; F138-Y407 HydrophobicContact CG-CE1 4.35Å; F138-Y407 AromaticContact CG-CG 3.8Å; F138-Y407 HydrophobicContact CG-CG 3.8Å |
| 139 | E | 96.6 | Very high | 96.6 | Very high | 131 Ų | 131 | 27.9 Ų | 27.9 | 61% | 0.612 | 14% | 0.14 | S | C | * | . | I | π-helix | trans | -84.7 | -39.5 | -171.6 | -57.3 | -168.4 | -174.7 | 0 | 0 | 111.9 | E135 Y407 | E135-E139 HydrophobicContact CG-CG 4.32Å; E135-E139 VanDerWaalsContact O-CB 3.23Å; E135-E139 WeakPolarHBondContact O-CB 3.23Å; E135-E139 WeakPolarHBondContact O-CG 3.48Å; E135-E139 PolarHBondContact O-N 3Å; E139-Y407 HydrophobicContact CG-CE1 4.12Å; E139-Y407 PolarHBondContact OE1-OH 3.34Å; E139-Y407 VanDerWaalsContact OE1-OH 3.07Å |
| 140 | K | 95.4 | Very high | 96.6 | Very high | 120 Ų | 120 | 27.8 Ų | 27.8 | 52% | 0.522 | 14% | 0.14 | S | C | . | . | I | π-helix | trans | -94.6 | -49.7 | -176.8 | -161.4 | 166.3 | -162.9 | 157.1 | 0 | 113.5 | E98 L136 | E98-K140 HydrophobicContact CG-CD 4.08Å; E98-K140 WeakPolarHBondContact OE1-CE 3.3Å; E98-K140 IonicContact OE1-NZ 3.18Å; E98-K140 PolarHBondContact OE1-NZ 3.11Å; E98-K140 WeakPolarHBondContact OE2-CD 3.22Å; E98-K140 VanDerWaalsContact OE2-CE 3.27Å; E98-K140 WeakPolarHBondContact OE2-CE 3.44Å; E98-K140 IonicContact OE2-NZ 2.67Å; E98-K140 PolarHBondContact OE2-NZ 3.31Å; L136-K140 HydrophobicContact CD1-CB 4.03Å; L136-K140 HydrophobicContact CD1-CD 3.86Å; L136-K140 WeakPolarHBondContact O-CB 3.49Å; L136-K140 PolarHBondContact O-N 2.98Å; L136-K140 VanDerWaalsContact O-N 3.15Å |
| 141 | F | 96 | Very high | 96.6 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -88 | -9.2 | -179.6 | -71 | -75.5 | 0 | 0 | 0 | 113.4 | E98 L101 Q102 Y105 S112 L136 L137 S143 | E98-F141 HydrophobicContact CG-CE2 4.15Å; E98-F141 HydrophobicContact CG-CZ 4.1Å; L101-F141 HydrophobicContact CB-CE1 4.27Å; L101-F141 HydrophobicContact CB-CE2 3.77Å; L101-F141 HydrophobicContact CB-CZ 3.51Å; L101-F141 HydrophobicContact CD1-CD2 4.31Å; L101-F141 HydrophobicContact CD1-CE2 3.76Å; L101-F141 HydrophobicContact CD1-CZ 4.38Å; L101-F141 HydrophobicContact CG-CE2 4.44Å; Q102-F141 HydrophobicContact CB-CE1 4.39Å; Q102-F141 HydrophobicContact CB-CZ 4.38Å; Y105-F141 AromaticContact CD2-CD1 3.41Å; Y105-F141 HydrophobicContact CD2-CD1 3.41Å; Y105-F141 VanDerWaalsContact CD2-CD1 3.41Å; Y105-F141 AromaticContact CD2-CE1 3.46Å; Y105-F141 HydrophobicContact CD2-CE1 3.46Å; Y105-F141 VanDerWaalsContact CD2-CE1 3.46Å; Y105-F141 HydrophobicContact CD2-CG 4.22Å; Y105-F141 HydrophobicContact CD2-CZ 4.29Å; Y105-F141 HydrophobicContact CE2-CB 4.28Å; Y105-F141 AromaticContact CE2-CD1 3.45Å; Y105-F141 HydrophobicContact CE2-CD1 3.45Å; Y105-F141 VanDerWaalsContact CE2-CD1 3.45Å; Y105-F141 HydrophobicContact CE2-CD2 4.41Å; Y105-F141 AromaticContact CE2-CE1 3.83Å; Y105-F141 HydrophobicContact CE2-CE1 3.83Å; Y105-F141 AromaticContact CE2-CG 3.79Å; Y105-F141 HydrophobicContact CE2-CG 3.79Å; Y105-F141 HydrophobicContact CE2-CZ 4.45Å; Y105-F141 HydrophobicContact CG-CD1 4.39Å; S112-F141 VanDerWaalsContact CB-O 3.3Å; S112-F141 WeakPolarHBondContact CB-O 3.39Å; S112-F141 PolarHBondContact OG-O 2.65Å; L136-F141 HydrophobicContact CD1-CD2 4.3Å; L136-F141 HydrophobicContact CD1-CE2 3.96Å; L136-F141 HydrophobicContact CD2-CE2 4.45Å; L136-F141 HydrophobicContact CG-CD2 4.11Å; L136-F141 HydrophobicContact CG-CE2 3.97Å; L136-F141 PolarHBondContact O-N 2.81Å; L136-F141 VanDerWaalsContact O-N 3.17Å; L137-F141 HydrophobicContact CD2-CD2 4.44Å; L137-F141 CarbonylContact O-C 3.59Å; F141-S143 PolarHBondContact O-N 3.34Å |
| 142 | G | 95.8 | Very high | 96.6 | Very high | 20 Ų | 20 | 26.4 Ų | 26.4 | 21% | 0.206 | 14% | 0.136 | C | C | . | . | trans | 64.3 | 25.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S113 L137 F138 | S113-G142 WeakPolarHBondContact CA-O 3.28Å; L137-G142 PolarHBondContact O-N 2.94Å; F138-G142 WeakPolarHBondContact O-CA 3.24Å; F138-G142 PolarHBondContact O-N 2.94Å | ||
| 143 | S | 95.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -57.4 | 134.5 | -179.6 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | L137 F138 F141 A145 | L137-S143 PolarHBondContact O-N 2.77Å; F138-S143 WeakPolarHBondContact CD1-O 3.33Å; F138-S143 WeakPolarHBondContact CE1-O 3.47Å; F141-S143 PolarHBondContact O-N 3.34Å; S143-A145 VanDerWaalsContact C-N 3.34Å | ||
| 144 | P | 95.3 | Very high | 96.5 | Very high | 52 Ų | 52 | 23.5 Ų | 23.5 | 34% | 0.338 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -71.1 | -30.8 | -178.3 | 27.5 | -34.1 | 0 | 0 | 0 | 112.5 | S113 F115 K404 | S113-P144 WeakPolarHBondContact O-CD 3.42Å; F115-P144 VanDerWaalsContact O-CD 3.31Å; F115-P144 WeakPolarHBondContact O-CD 3.47Å; P144-K404 PolarHBondContact O-N 3.13Å |
| 145 | A | 95.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 7% | 0.074 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 155.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | S116 A117 S143 W401 I402 | S116-A145 CarbonylContact C-O 3.39Å; S116-A145 VanDerWaalsContact CA-O 3.3Å; S116-A145 WeakPolarHBondContact CA-O 3.48Å; S116-A145 WeakPolarHBondContact OG-CB 3.5Å; A117-A145 PolarHBondContact N-O 3.02Å; S143-A145 VanDerWaalsContact C-N 3.34Å; A145-W401 HydrophobicContact CB-CB 3.92Å; A145-W401 HydrophobicContact CB-CG 4.38Å; A145-I402 CarbonylContact C-O 3.5Å; A145-I402 WeakPolarHBondContact CA-O 3.46Å; A145-I402 WeakPolarHBondContact CB-O 3.44Å |
| 146 | F | 95.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 144.6 | -175.3 | 169.7 | -117.8 | 0 | 0 | 0 | 111.4 | A117 F119 L133 A134 L137 F138 L148 I402 V415 | A117-F146 HydrophobicContact CB-CD2 4.42Å; A117-F146 WeakPolarHBondContact O-CA 3.37Å; A117-F146 VanDerWaalsContact O-CD2 3.3Å; A117-F146 WeakPolarHBondContact O-CD2 3.43Å; F119-F146 HydrophobicContact CB-CE2 4.12Å; F119-F146 HydrophobicContact CD2-CE2 4.09Å; F119-F146 HydrophobicContact CG-CE2 4.47Å; L133-F146 HydrophobicContact CD2-CE2 4.39Å; L133-F146 HydrophobicContact CD2-CZ 4.12Å; L133-F146 HydrophobicContact CG-CE2 4.41Å; L133-F146 HydrophobicContact CG-CZ 4.13Å; A134-F146 HydrophobicContact CB-CD1 4.05Å; A134-F146 HydrophobicContact CB-CE1 3.81Å; L137-F146 HydrophobicContact CD1-CD2 3.29Å; L137-F146 HydrophobicContact CD1-CE2 3.27Å; L137-F146 HydrophobicContact CD1-CG 4.14Å; L137-F146 HydrophobicContact CD1-CZ 4.09Å; F138-F146 HydrophobicContact CE1-CB 4.3Å; F138-F146 HydrophobicContact CE2-CB 3.68Å; F138-F146 HydrophobicContact CE2-CD1 4.18Å; F138-F146 HydrophobicContact CE2-CG 4.35Å; F138-F146 HydrophobicContact CZ-CB 3.52Å; F146-L148 HydrophobicContact CE1-CB 4.18Å; F146-L148 HydrophobicContact CE2-CB 4.48Å; F146-L148 HydrophobicContact CZ-CB 3.75Å; F146-L148 HydrophobicContact CZ-CD1 4.08Å; F146-L148 HydrophobicContact CZ-CD2 4.43Å; F146-L148 HydrophobicContact CZ-CG 4.31Å; F146-I402 HydrophobicContact CD1-CD1 4.27Å; F146-I402 PolarHBondContact N-O 3.27Å; F146-I402 WeakPolarHBondContact O-CB 3.35Å; F146-I402 PolarHBondContact O-N 2.87Å; F146-V415 HydrophobicContact CE1-CG2 3.79Å |
| 147 | F | 97 | Very high | 96.3 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 6% | 0.057 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 141.6 | 167 | -168.6 | -92.9 | 0 | 0 | 0 | 110.6 | A117 L118 F119 A149 F397 M400 W401 | A117-F147 PolarHBondContact O-N 2.92Å; L118-F147 WeakPolarHBondContact CA-O 3.32Å; L118-F147 HydrophobicContact CD1-CD1 4.44Å; F119-F147 PolarHBondContact N-O 3.17Å; F147-A149 HydrophobicContact CD1-CB 4.02Å; F147-A149 HydrophobicContact CE1-CB 3.86Å; F147-F397 HydrophobicContact CB-CE1 4.45Å; F147-F397 HydrophobicContact CB-CZ 4.18Å; F147-F397 HydrophobicContact CD1-CE1 4.48Å; F147-F397 HydrophobicContact CD1-CE2 4.3Å; F147-F397 AromaticContact CD1-CZ 3.53Å; F147-F397 HydrophobicContact CD1-CZ 3.53Å; F147-F397 HydrophobicContact CD2-CZ 4.06Å; F147-F397 HydrophobicContact CE1-CE2 4.11Å; F147-F397 AromaticContact CE1-CZ 3.8Å; F147-F397 HydrophobicContact CE1-CZ 3.8Å; F147-F397 HydrophobicContact CE2-CE2 4.45Å; F147-F397 HydrophobicContact CE2-CZ 4.32Å; F147-F397 HydrophobicContact CG-CE1 4.37Å; F147-F397 AromaticContact CG-CZ 3.65Å; F147-F397 HydrophobicContact CG-CZ 3.65Å; F147-F397 HydrophobicContact CZ-CE2 4.19Å; F147-F397 HydrophobicContact CZ-CZ 4.19Å; F147-M400 HydrophobicContact CD2-CB 4.25Å; F147-M400 WeakPolarHBondContact CD2-O 3.45Å; F147-M400 HydrophobicContact CE2-CB 3.99Å; F147-M400 HydrophobicContact CE2-CE 4.2Å; F147-M400 HydrophobicContact CZ-CE 4.47Å; F147-W401 HydrophobicContact CB-CD2 4.36Å; F147-W401 HydrophobicContact CB-CE3 3.49Å; F147-W401 VanDerWaalsContact CB-CE3 3.49Å; F147-W401 HydrophobicContact CB-CZ3 3.66Å |
| 148 | L | 97.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.8 | 176.5 | -164.9 | 58.1 | 0 | 0 | 0 | 109.4 | F119 E121 R130 L133 F146 V415 C419 | F119-L148 HydrophobicContact CB-CD1 3.56Å; E121-L148 HydrophobicContact CB-CD1 4Å; E121-L148 HydrophobicContact CB-CD2 4.49Å; E121-L148 HydrophobicContact CB-CG 4.16Å; E121-L148 VanDerWaalsContact CD-CD2 3.45Å; E121-L148 VanDerWaalsContact CD-CG 3.41Å; E121-L148 HydrophobicContact CG-CD1 4.27Å; E121-L148 HydrophobicContact CG-CD2 4.37Å; E121-L148 HydrophobicContact CG-CG 3.92Å; E121-L148 WeakPolarHBondContact OE1-CG 3.35Å; E121-L148 WeakPolarHBondContact OE2-CD2 3.26Å; R130-L148 HydrophobicContact CB-CD2 3.86Å; R130-L148 HydrophobicContact CG-CD2 3.73Å; L133-L148 HydrophobicContact CD2-CD1 3.71Å; F146-L148 HydrophobicContact CE1-CB 4.18Å; F146-L148 HydrophobicContact CE2-CB 4.48Å; F146-L148 HydrophobicContact CZ-CB 3.75Å; F146-L148 HydrophobicContact CZ-CD1 4.08Å; F146-L148 HydrophobicContact CZ-CD2 4.43Å; F146-L148 HydrophobicContact CZ-CG 4.31Å; L148-V415 HydrophobicContact CB-CG2 4.17Å; L148-V415 HydrophobicContact CD2-CG2 4.17Å; L148-C419 HydrophobicContact CB-CB 4.1Å; L148-C419 PolarHBondContact N-SG 3.1Å; L148-C419 VanDerWaalsContact N-SG 3.36Å; L148-C419 VanDerWaalsContact O-CB 3.29Å; L148-C419 WeakPolarHBondContact O-CB 3.2Å |
| 149 | A | 96.9 | Very high | 96 | Very high | 7 Ų | 7 | 27 Ų | 27 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L118 F119 T120 E121 F147 S151 L154 | L118-A149 HydrophobicContact CD2-CB 4.37Å; F119-A149 PolarHBondContact O-N 3.01Å; T120-A149 CarbonylContact C-O 3.58Å; T120-A149 VanDerWaalsContact CA-O 3.25Å; T120-A149 WeakPolarHBondContact CA-O 3.49Å; E121-A149 PolarHBondContact N-O 3.26Å; F147-A149 HydrophobicContact CD1-CB 4.02Å; F147-A149 HydrophobicContact CE1-CB 3.86Å; A149-S151 PolarHBondContact O-N 3.2Å; A149-L154 HydrophobicContact CB-CD1 3.82Å; A149-L154 HydrophobicContact CB-CD2 3.75Å; A149-L154 HydrophobicContact CB-CG 3.84Å |
| 150 | K | 97.2 | Very high | 95.9 | Very high | 16 Ų | 16 | 24 Ų | 24 | 7% | 0.07 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 129.9 | 177.5 | -65.9 | 172.6 | -172.6 | 171.7 | 0 | 110.3 | E121 A152 V153 L154 C184 P420 | E121-K150 HydrophobicContact CG-CG 4.13Å; E121-K150 CarbonylContact O-C 3.54Å; E121-K150 VanDerWaalsContact O-CA 3.3Å; E121-K150 WeakPolarHBondContact O-CA 3.2Å; K150-A152 PolarHBondContact O-N 2.84Å; K150-A152 VanDerWaalsContact O-N 3.12Å; K150-V153 HydrophobicContact CB-CB 4.47Å; K150-V153 HydrophobicContact CB-CG2 4.07Å; K150-V153 WeakPolarHBondContact O-CB 3.24Å; K150-V153 PolarHBondContact O-N 3.44Å; K150-L154 PolarHBondContact O-N 2.98Å; K150-C184 HydrophobicContact CB-CB 4.43Å; K150-C184 HydrophobicContact CD-CB 3.32Å; K150-C184 HydrophobicContact CG-CB 4.5Å; K150-P420 VanDerWaalsContact CE-O 3.23Å; K150-P420 WeakPolarHBondContact CE-O 3.35Å; K150-P420 VanDerWaalsContact CE-OXT 3.3Å; K150-P420 WeakPolarHBondContact CE-OXT 3.07Å; K150-P420 PolarHBondContact NZ-O 3.35Å; K150-P420 PolarHBondContact NZ-OXT 2.88Å |
| 151 | S | 97.2 | Very high | 95.8 | Very high | 13 Ų | 13 | 23.3 Ų | 23.3 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -53.8 | -38.1 | -176.8 | -55.3 | 0 | 0 | 0 | 0 | 112.9 | T120 E121 A149 L154 A155 | T120-S151 WeakPolarHBondContact CB-OG 3.3Å; E121-S151 PolarHBondContact O-N 3.47Å; E121-S151 PolarHBondContact O-OG 2.97Å; A149-S151 PolarHBondContact O-N 3.2Å; S151-L154 PolarHBondContact O-N 2.91Å; S151-A155 WeakPolarHBondContact O-CB 2.85Å; S151-A155 PolarHBondContact O-N 2.86Å |
| 152 | A | 97.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K150 L154 A155 A156 V166 V177 V179 | K150-A152 PolarHBondContact O-N 2.84Å; K150-A152 VanDerWaalsContact O-N 3.12Å; A152-L154 VanDerWaalsContact C-N 3.33Å; A152-A155 PolarHBondContact O-N 3.28Å; A152-A156 PolarHBondContact O-N 3.22Å; A152-V166 HydrophobicContact CB-CB 4.07Å; A152-V166 HydrophobicContact CB-CG1 4.18Å; A152-V166 HydrophobicContact CB-CG2 4.36Å; A152-V177 HydrophobicContact CB-CG1 3.35Å; A152-V179 HydrophobicContact CB-CG2 4.11Å |
| 153 | V | 97.2 | Very high | 95.7 | Very high | 17 Ų | 17 | 26.5 Ų | 26.5 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 109.7 | K150 A156 Y157 V179 G182 C184 | K150-V153 HydrophobicContact CB-CB 4.47Å; K150-V153 HydrophobicContact CB-CG2 4.07Å; K150-V153 WeakPolarHBondContact O-CB 3.24Å; K150-V153 PolarHBondContact O-N 3.44Å; V153-A156 PolarHBondContact O-N 3.33Å; V153-Y157 HydrophobicContact CG1-CD2 3.69Å; V153-Y157 HydrophobicContact CG1-CE2 3.43Å; V153-Y157 VanDerWaalsContact CG1-CE2 3.43Å; V153-Y157 VanDerWaalsContact O-CD2 3.23Å; V153-Y157 WeakPolarHBondContact O-CD2 3.3Å; V153-Y157 PolarHBondContact O-N 2.82Å; V153-V179 HydrophobicContact CG2-CG1 4.17Å; V153-V179 HydrophobicContact CG2-CG2 4.27Å; V153-G182 VanDerWaalsContact CG1-O 3.25Å; V153-G182 WeakPolarHBondContact CG1-O 3.31Å; V153-C184 HydrophobicContact CG2-CB 3.81Å |
| 154 | L | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.4 | -60.8 | 179.9 | 0 | 0 | 0 | 111.8 | L118 T120 A149 K150 S151 A152 A156 Y157 A158 A384 G387 L391 | L118-L154 HydrophobicContact CD2-CD1 4.05Å; T120-L154 HydrophobicContact CG2-CD1 3.57Å; A149-L154 HydrophobicContact CB-CD1 3.82Å; A149-L154 HydrophobicContact CB-CD2 3.75Å; A149-L154 HydrophobicContact CB-CG 3.84Å; K150-L154 PolarHBondContact O-N 2.98Å; S151-L154 PolarHBondContact O-N 2.91Å; A152-L154 VanDerWaalsContact C-N 3.33Å; L154-A156 VanDerWaalsContact C-N 3.29Å; L154-A156 PolarHBondContact O-N 3.4Å; L154-Y157 WeakPolarHBondContact O-CB 3.24Å; L154-Y157 PolarHBondContact O-N 2.48Å; L154-Y157 VanDerWaalsContact O-N 3.11Å; L154-A158 PolarHBondContact O-N 2.66Å; L154-A384 VanDerWaalsContact CB-O 3.27Å; L154-A384 WeakPolarHBondContact CB-O 3.29Å; L154-A384 WeakPolarHBondContact CD1-O 3.3Å; L154-G387 VanDerWaalsContact O-CA 3.25Å; L154-G387 WeakPolarHBondContact O-CA 2.79Å; L154-L391 HydrophobicContact CD2-CB 4.36Å; L154-L391 HydrophobicContact CD2-CD2 3.63Å |
| 155 | A | 96.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | S151 A152 A158 H159 V166 L347 T349 | S151-A155 WeakPolarHBondContact O-CB 2.85Å; S151-A155 PolarHBondContact O-N 2.86Å; A152-A155 PolarHBondContact O-N 3.28Å; A155-A158 WeakPolarHBondContact O-CB 3.27Å; A155-A158 PolarHBondContact O-N 2.79Å; A155-H159 PolarHBondContact O-ND1 2.81Å; A155-V166 HydrophobicContact CB-CG1 4.03Å; A155-L347 VanDerWaalsContact C-CD2 3.41Å; A155-L347 HydrophobicContact CB-CD2 4.11Å; A155-L347 WeakPolarHBondContact O-CD2 3.2Å; A155-T349 HydrophobicContact CB-CG2 4.16Å |
| 156 | A | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A152 V153 L154 A158 H159 G160 R161 V166 V179 | A152-A156 PolarHBondContact O-N 3.22Å; V153-A156 PolarHBondContact O-N 3.33Å; L154-A156 VanDerWaalsContact C-N 3.29Å; L154-A156 PolarHBondContact O-N 3.4Å; A156-A158 VanDerWaalsContact C-N 3.33Å; A156-A158 PolarHBondContact O-N 2.99Å; A156-H159 CarbonylContact O-C 3.48Å; A156-H159 PolarHBondContact O-N 3.41Å; A156-G160 PolarHBondContact O-N 3.12Å; A156-R161 CarbonylContact C-O 3.55Å; A156-R161 WeakPolarHBondContact CB-O 3.37Å; A156-R161 PolarHBondContact O-N 3.42Å; A156-V166 HydrophobicContact CB-CG2 4.18Å; A156-V179 HydrophobicContact CB-CB 4.4Å; A156-V179 HydrophobicContact CB-CG1 4.27Å; A156-V179 HydrophobicContact CB-CG2 4.45Å |
| 157 | Y | 93.7 | Very high | 96 | Very high | 79 Ų | 79 | 23.6 Ų | 23.6 | 31% | 0.31 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61.2 | -38 | 175.4 | -82.2 | -56.4 | 0 | 0 | 0 | 113.2 | V153 L154 H159 G160 T162 L391 | V153-Y157 HydrophobicContact CG1-CD2 3.69Å; V153-Y157 HydrophobicContact CG1-CE2 3.43Å; V153-Y157 VanDerWaalsContact CG1-CE2 3.43Å; V153-Y157 VanDerWaalsContact O-CD2 3.23Å; V153-Y157 WeakPolarHBondContact O-CD2 3.3Å; V153-Y157 PolarHBondContact O-N 2.82Å; L154-Y157 WeakPolarHBondContact O-CB 3.24Å; L154-Y157 PolarHBondContact O-N 2.48Å; L154-Y157 VanDerWaalsContact O-N 3.11Å; Y157-H159 PolarHBondContact O-N 3.45Å; Y157-H159 VanDerWaalsContact O-N 3.08Å; Y157-G160 PolarHBondContact O-N 2.6Å; Y157-T162 HydrophobicContact CE1-CG2 4.38Å; Y157-L391 HydrophobicContact CE2-CD1 4.5Å |
| 158 | A | 94.4 | Very high | 96 | Very high | 27 Ų | 27 | 24.4 Ų | 24.4 | 22% | 0.223 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.1 | -23.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L154 A155 A156 G383 T386 | L154-A158 PolarHBondContact O-N 2.66Å; A155-A158 WeakPolarHBondContact O-CB 3.27Å; A155-A158 PolarHBondContact O-N 2.79Å; A156-A158 VanDerWaalsContact C-N 3.33Å; A156-A158 PolarHBondContact O-N 2.99Å; A158-G383 WeakPolarHBondContact CB-O 3.49Å; A158-T386 HydrophobicContact CB-CG2 4.14Å |
| 159 | H | 92.9 | Very high | 96.1 | Very high | 50 Ų | 50 | 24.3 Ų | 24.3 | 23% | 0.231 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 12 | 177.6 | -66.2 | 76.6 | 0 | 0 | 0 | 113.3 | A155 A156 Y157 R161 L347 S374 | A155-H159 PolarHBondContact O-ND1 2.81Å; A156-H159 CarbonylContact O-C 3.48Å; A156-H159 PolarHBondContact O-N 3.41Å; Y157-H159 PolarHBondContact O-N 3.45Å; Y157-H159 VanDerWaalsContact O-N 3.08Å; H159-R161 HydrophobicContact CB-CG 4.4Å; H159-R161 PolarHBondContact O-N 2.85Å; H159-L347 HydrophobicContact CB-CD1 4.06Å; H159-L347 HydrophobicContact CB-CD2 4.46Å; H159-L347 WeakPolarHBondContact CD2-CD1 3.49Å; H159-L347 VanDerWaalsContact CE1-CD1 3.44Å; H159-L347 WeakPolarHBondContact CE1-CD1 3.18Å; H159-L347 VanDerWaalsContact ND1-CD1 3.33Å; H159-L347 WeakPolarHBondContact ND1-CD1 3.41Å; H159-L347 WeakPolarHBondContact NE2-CD1 3.26Å; H159-S374 PolarHBondContact NE2-N 3.25Å; H159-S374 VanDerWaalsContact NE2-N 3.15Å |
| 160 | G | 93 | Very high | 96.1 | Very high | 69 Ų | 69 | 24.9 Ų | 24.9 | 71% | 0.711 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 29.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A156 Y157 | A156-G160 PolarHBondContact O-N 3.12Å; Y157-G160 PolarHBondContact O-N 2.6Å |
| 161 | R | 93.8 | Very high | 96 | Very high | 105 Ų | 105 | 24.9 Ų | 24.9 | 40% | 0.396 | 15% | 0.151 | S | C | . | . | trans | -114.8 | 133.5 | 179.8 | -61.4 | -61.7 | -178.7 | 179.3 | -4.9 | 110.6 | A156 H159 A164 | A156-R161 CarbonylContact C-O 3.55Å; A156-R161 WeakPolarHBondContact CB-O 3.37Å; A156-R161 PolarHBondContact O-N 3.42Å; H159-R161 HydrophobicContact CB-CG 4.4Å; H159-R161 PolarHBondContact O-N 2.85Å; R161-A164 HydrophobicContact CB-CB 4.43Å | ||
| 162 | T | 93.8 | Very high | 96 | Very high | 72 Ų | 72 | 26.9 Ų | 26.9 | 44% | 0.442 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -91.9 | -23 | 167.7 | 54.7 | 0 | 0 | 0 | 0 | 112 | Y157 V179 L180 D181 G182 | Y157-T162 HydrophobicContact CE1-CG2 4.38Å; T162-V179 WeakPolarHBondContact O-CG1 3.46Å; T162-L180 CarbonylContact O-C 3.57Å; T162-D181 PolarHBondContact O-N 2.95Å; T162-D181 VanDerWaalsContact O-N 3.08Å; T162-G182 PolarHBondContact O-N 3.26Å |
| 163 | S | 95.5 | Very high | 95.9 | Very high | 23 Ų | 23 | 27.8 Ų | 27.8 | 16% | 0.161 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -131.2 | 121.5 | 179.9 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | V179 D181 | S163-V179 CarbonylContact C-O 3.5Å; S163-V179 WeakPolarHBondContact CA-O 3.47Å; S163-D181 PolarHBondContact OG-N 2.94Å; S163-D181 PolarHBondContact OG-OD1 3.22Å |
| 164 | A | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 154.9 | -180 | 0 | 0 | 0 | 0 | 0 | 110.6 | R161 V166 V179 A345 L347 | R161-A164 HydrophobicContact CB-CB 4.43Å; A164-V166 HydrophobicContact CB-CG2 4.47Å; A164-V179 PolarHBondContact N-O 3.47Å; A164-V179 PolarHBondContact O-N 2.81Å; A164-V179 VanDerWaalsContact O-O 3.14Å; A164-A345 CarbonylContact C-O 3.46Å; A164-A345 WeakPolarHBondContact CA-O 3.22Å; A164-A345 HydrophobicContact CB-CB 3.99Å; A164-A345 WeakPolarHBondContact CB-O 3.45Å; A164-L347 HydrophobicContact CB-CB 4.41Å |
| 165 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 114.5 | 160.2 | 177.4 | 62 | 0 | 0 | 0 | 108.3 | A176 I327 S330 I331 L342 A345 L346 L347 | L165-A176 HydrophobicContact CD1-CB 4.14Å; L165-I327 HydrophobicContact CD2-CG2 3.9Å; L165-S330 VanDerWaalsContact CD1-OG 3.24Å; L165-S330 WeakPolarHBondContact CD1-OG 3.48Å; L165-I331 HydrophobicContact CD2-CD1 3.94Å; L165-I331 HydrophobicContact CD2-CG1 3.53Å; L165-L342 HydrophobicContact CB-CB 4.2Å; L165-L342 HydrophobicContact CB-CD2 4.17Å; L165-A345 PolarHBondContact N-O 3.28Å; L165-L346 HydrophobicContact CB-CD1 3.95Å; L165-L346 HydrophobicContact CD2-CD1 3.46Å; L165-L346 VanDerWaalsContact CD2-CD1 3.46Å; L165-L346 HydrophobicContact CG-CD1 3.67Å; L165-L346 CarbonylContact O-C 3.54Å; L165-L346 WeakPolarHBondContact O-CA 3.34Å; L165-L347 PolarHBondContact O-N 2.6Å |
| 166 | V | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124.3 | -179 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | A152 A155 A156 A164 A176 V177 V179 L347 T349 | A152-V166 HydrophobicContact CB-CB 4.07Å; A152-V166 HydrophobicContact CB-CG1 4.18Å; A152-V166 HydrophobicContact CB-CG2 4.36Å; A155-V166 HydrophobicContact CB-CG1 4.03Å; A156-V166 HydrophobicContact CB-CG2 4.18Å; A164-V166 HydrophobicContact CB-CG2 4.47Å; V166-A176 CarbonylContact O-C 3.56Å; V166-A176 VanDerWaalsContact O-CA 3.24Å; V166-A176 WeakPolarHBondContact O-CA 3.45Å; V166-V177 PolarHBondContact N-O 2.91Å; V166-V177 PolarHBondContact O-N 2.82Å; V166-V179 HydrophobicContact CG2-CG2 3.86Å; V166-L347 CarbonylContact C-O 3.6Å; V166-L347 HydrophobicContact CG1-CD2 4.42Å; V166-L347 HydrophobicContact CG2-CB 4.4Å; V166-L347 HydrophobicContact CG2-CD2 4.18Å; V166-T349 HydrophobicContact CG1-CG2 4.37Å |
| 167 | V | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115.8 | 173.9 | -175 | 0 | 0 | 0 | 0 | 108.6 | T174 Y175 A176 I323 I327 L346 L347 V348 T349 | V167-T174 HydrophobicContact CG1-CG2 4.2Å; V167-Y175 CarbonylContact C-O 3.59Å; V167-Y175 VanDerWaalsContact CA-O 3.28Å; V167-Y175 WeakPolarHBondContact CA-O 3.26Å; V167-A176 HydrophobicContact CG2-CB 4.06Å; V167-I323 HydrophobicContact CG1-CG2 4.49Å; V167-I327 HydrophobicContact CG2-CD1 3.94Å; V167-I327 HydrophobicContact CG2-CG1 3.63Å; V167-L346 HydrophobicContact CG2-CD1 3.49Å; V167-L346 VanDerWaalsContact CG2-CD1 3.49Å; V167-L346 HydrophobicContact CG2-CG 4.19Å; V167-L347 PolarHBondContact N-O 3.46Å; V167-V348 HydrophobicContact CB-CG2 4.3Å; V167-V348 CarbonylContact O-C 3.54Å; V167-V348 WeakPolarHBondContact O-CA 3.49Å; V167-T349 PolarHBondContact O-N 3.46Å |
| 168 | D | 97.5 | Very high | 96.4 | Very high | 30 Ų | 30 | 23.8 Ų | 23.8 | 16% | 0.16 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 114 | 176.2 | 178.5 | -7 | 0 | 0 | 0 | 108.5 | T174 Y175 T349 G350 | D168-T174 CarbonylContact O-C 3.56Å; D168-T174 VanDerWaalsContact O-CA 3.25Å; D168-T174 WeakPolarHBondContact O-CA 3.39Å; D168-Y175 HydrophobicContact CB-CD1 3.99Å; D168-Y175 HydrophobicContact CB-CE1 3.37Å; D168-Y175 HydrophobicContact CB-CE2 4.05Å; D168-Y175 WeakPolarHBondContact CB-OH 3.32Å; D168-Y175 PolarHBondContact N-O 3.47Å; D168-Y175 PolarHBondContact O-N 3.05Å; D168-Y175 WeakPolarHBondContact OD2-CE1 3.48Å; D168-Y175 PolarHBondContact OD2-OH 3.2Å; D168-T349 WeakPolarHBondContact CA-O 3.31Å; D168-T349 HydrophobicContact CB-CG2 3.75Å; D168-G350 WeakPolarHBondContact OD1-CA 3.41Å |
| 169 | S | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 93 | 173.5 | -164.4 | 0 | 0 | 0 | 0 | 108.8 | T174 T349 G350 G351 N352 | S169-T174 WeakPolarHBondContact CB-OG1 3.45Å; S169-T174 PolarHBondContact OG-OG1 3.09Å; S169-T349 PolarHBondContact N-O 3.33Å; S169-G350 CarbonylContact O-C 3.58Å; S169-G350 VanDerWaalsContact O-C 3.25Å; S169-G350 WeakPolarHBondContact O-CA 3.3Å; S169-G351 PolarHBondContact O-N 3.35Å; S169-N352 VanDerWaalsContact O-CB 3.24Å; S169-N352 WeakPolarHBondContact O-CB 3.29Å; S169-N352 PolarHBondContact O-N 2.77Å; S169-N352 PolarHBondContact OG-ND2 2.93Å |
| 170 | G | 96.6 | Very high | 96.6 | Very high | 18 Ų | 18 | 21.1 Ų | 21.1 | 19% | 0.186 | 13% | 0.133 | C | C | . | . | trans | -91.4 | -151.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q173 G196 N352 | G170-Q173 PolarHBondContact N-O 3.18Å; G170-G196 PolarHBondContact O-N 2.98Å; G170-N352 WeakPolarHBondContact O-CB 3.44Å | ||
| 171 | A | 96.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 23.6 Ų | 23.6 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -83.9 | -51.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H16 A195 G196 D197 | H16-A171 HydrophobicContact CB-CB 3.5Å; H16-A171 VanDerWaalsContact CB-CB 3.5Å; A171-A195 WeakPolarHBondContact O-CB 3.31Å; A171-G196 CarbonylContact O-C 3.55Å; A171-G196 PolarHBondContact O-N 3.17Å; A171-G196 VanDerWaalsContact O-N 3.13Å; A171-D197 WeakPolarHBondContact O-CB 3.29Å; A171-D197 PolarHBondContact O-N 3.15Å |
| 172 | T | 96.2 | Very high | 96.6 | Very high | 54 Ų | 54 | 19.1 Ų | 19.1 | 33% | 0.331 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -89.6 | -26.5 | -172.8 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | S15 | S15-T172 WeakPolarHBondContact CB-OG1 2.83Å; S15-T172 PolarHBondContact OG-OG1 2.95Å |
| 173 | Q | 96.5 | Very high | 96.7 | Very high | 21 Ų | 21 | 22.4 Ų | 22.4 | 10% | 0.098 | 12% | 0.122 | C | C | . | . | trans | -155.1 | 157 | -177 | 62.6 | -170.3 | -43.6 | 0 | 0 | 112.5 | D88 G170 S192 A195 | D88-Q173 PolarHBondContact OD1-NE2 2.97Å; D88-Q173 PolarHBondContact OD1-OE1 2.95Å; G170-Q173 PolarHBondContact N-O 3.18Å; Q173-S192 CarbonylContact C-O 3.58Å; Q173-S192 VanDerWaalsContact CA-O 3.31Å; Q173-S192 WeakPolarHBondContact CA-O 3.15Å; Q173-S192 WeakPolarHBondContact CB-O 3.44Å; Q173-A195 VanDerWaalsContact CA-CB 3.5Å | ||
| 174 | T | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.6 | 163.9 | -60 | 0 | 0 | 0 | 0 | 108.3 | V167 D168 S169 R191 S192 L194 I323 | V167-T174 HydrophobicContact CG1-CG2 4.2Å; D168-T174 CarbonylContact O-C 3.56Å; D168-T174 VanDerWaalsContact O-CA 3.25Å; D168-T174 WeakPolarHBondContact O-CA 3.39Å; S169-T174 WeakPolarHBondContact CB-OG1 3.45Å; S169-T174 PolarHBondContact OG-OG1 3.09Å; T174-R191 CarbonylContact O-C 3.46Å; T174-R191 WeakPolarHBondContact O-CA 3.44Å; T174-S192 PolarHBondContact N-O 3.06Å; T174-S192 PolarHBondContact O-N 3.44Å; T174-L194 WeakPolarHBondContact CB-O 3.29Å; T174-L194 PolarHBondContact OG1-O 2.81Å; T174-I323 HydrophobicContact CG2-CD1 4.41Å; T174-I323 HydrophobicContact CG2-CG1 4.15Å; T174-I323 HydrophobicContact CG2-CG2 4.44Å |
| 175 | Y | 98 | Very high | 96.6 | Very high | 14 Ų | 14 | 24 Ų | 24 | 6% | 0.055 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 154.6 | 176.1 | 67.7 | -86.8 | 0 | 0 | 0 | 112 | W124 V167 D168 V177 A190 | W124-Y175 AromaticContact CH2-CD1 3.5Å; W124-Y175 HydrophobicContact CH2-CD1 3.5Å; W124-Y175 HydrophobicContact CH2-CD2 4.07Å; W124-Y175 AromaticContact CH2-CE1 3.81Å; W124-Y175 HydrophobicContact CH2-CE1 3.81Å; W124-Y175 HydrophobicContact CH2-CE2 4.36Å; W124-Y175 AromaticContact CH2-CG 3.63Å; W124-Y175 HydrophobicContact CH2-CG 3.63Å; W124-Y175 HydrophobicContact CZ3-CD1 4.05Å; W124-Y175 AromaticContact CZ3-CD2 3.75Å; W124-Y175 HydrophobicContact CZ3-CD2 3.75Å; W124-Y175 HydrophobicContact CZ3-CE1 4.42Å; W124-Y175 HydrophobicContact CZ3-CE2 4.17Å; W124-Y175 AromaticContact CZ3-CG 3.69Å; W124-Y175 HydrophobicContact CZ3-CG 3.69Å; V167-Y175 CarbonylContact C-O 3.59Å; V167-Y175 VanDerWaalsContact CA-O 3.28Å; V167-Y175 WeakPolarHBondContact CA-O 3.26Å; D168-Y175 HydrophobicContact CB-CD1 3.99Å; D168-Y175 HydrophobicContact CB-CE1 3.37Å; D168-Y175 HydrophobicContact CB-CE2 4.05Å; D168-Y175 WeakPolarHBondContact CB-OH 3.32Å; D168-Y175 PolarHBondContact N-O 3.47Å; D168-Y175 PolarHBondContact O-N 3.05Å; D168-Y175 WeakPolarHBondContact OD2-CE1 3.48Å; D168-Y175 PolarHBondContact OD2-OH 3.2Å; Y175-V177 HydrophobicContact CD2-CG1 4.12Å; Y175-V177 HydrophobicContact CE2-CG1 3.97Å; Y175-A190 CarbonylContact C-O 3.46Å; Y175-A190 WeakPolarHBondContact CA-O 3.25Å; Y175-A190 WeakPolarHBondContact CB-O 3.42Å |
| 176 | A | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 136.9 | 169 | 0 | 0 | 0 | 0 | 0 | 110 | L165 V166 V167 I189 A190 V326 S330 | L165-A176 HydrophobicContact CD1-CB 4.14Å; V166-A176 CarbonylContact O-C 3.56Å; V166-A176 VanDerWaalsContact O-CA 3.24Å; V166-A176 WeakPolarHBondContact O-CA 3.45Å; V167-A176 HydrophobicContact CG2-CB 4.06Å; A176-I189 WeakPolarHBondContact O-CA 3.49Å; A176-A190 PolarHBondContact N-O 3.1Å; A176-A190 PolarHBondContact O-N 2.96Å; A176-V326 HydrophobicContact CB-CG1 3.67Å; A176-S330 PolarHBondContact O-OG 3.3Å |
| 177 | V | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 136.6 | 178.1 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | A123 A152 V166 Y175 C184 I189 | A123-V177 HydrophobicContact CB-CG2 4.38Å; A152-V177 HydrophobicContact CB-CG1 3.35Å; V166-V177 PolarHBondContact N-O 2.91Å; V166-V177 PolarHBondContact O-N 2.82Å; Y175-V177 HydrophobicContact CD2-CG1 4.12Å; Y175-V177 HydrophobicContact CE2-CG1 3.97Å; V177-C184 WeakPolarHBondContact CG2-SG 3.35Å; V177-I189 HydrophobicContact CB-CG1 4.1Å; V177-I189 HydrophobicContact CG2-CG1 3.55Å |
| 178 | A | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I185 T188 L342 | A178-I185 HydrophobicContact CB-CB 4.35Å; A178-I185 HydrophobicContact CB-CG1 4.39Å; A178-I185 PolarHBondContact O-N 2.65Å; A178-T188 HydrophobicContact CB-CG2 3.94Å; A178-T188 VanDerWaalsContact CB-OG1 3.32Å; A178-T188 WeakPolarHBondContact CB-OG1 3.48Å; A178-T188 PolarHBondContact N-OG1 3.35Å; A178-L342 HydrophobicContact CB-CD1 3.92Å; A178-L342 HydrophobicContact CB-CD2 3.84Å |
| 179 | V | 97.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 126.5 | 163.4 | -177.2 | 0 | 0 | 0 | 0 | 106.6 | A152 V153 A156 T162 S163 A164 V166 Y183 | A152-V179 HydrophobicContact CB-CG2 4.11Å; V153-V179 HydrophobicContact CG2-CG1 4.17Å; V153-V179 HydrophobicContact CG2-CG2 4.27Å; A156-V179 HydrophobicContact CB-CB 4.4Å; A156-V179 HydrophobicContact CB-CG1 4.27Å; A156-V179 HydrophobicContact CB-CG2 4.45Å; T162-V179 WeakPolarHBondContact O-CG1 3.46Å; S163-V179 CarbonylContact C-O 3.5Å; S163-V179 WeakPolarHBondContact CA-O 3.47Å; A164-V179 PolarHBondContact N-O 3.47Å; A164-V179 PolarHBondContact O-N 2.81Å; A164-V179 VanDerWaalsContact O-O 3.14Å; V166-V179 HydrophobicContact CG2-CG2 3.86Å; V179-Y183 CarbonylContact C-O 3.52Å; V179-Y183 VanDerWaalsContact CA-O 3.3Å; V179-Y183 WeakPolarHBondContact CA-O 3.39Å |
| 180 | L | 95.8 | Very high | 96.4 | Very high | 19 Ų | 19 | 32 Ų | 32 | 10% | 0.099 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 124 | 178.3 | -61.2 | 178.4 | 0 | 0 | 0 | 108.8 | T162 G182 Y183 I185 N338 L342 | T162-L180 CarbonylContact O-C 3.57Å; L180-G182 PolarHBondContact O-N 2.65Å; L180-G182 VanDerWaalsContact O-N 3.09Å; L180-Y183 PolarHBondContact N-O 3.44Å; L180-Y183 PolarHBondContact O-N 2.91Å; L180-I185 HydrophobicContact CB-CD1 4.28Å; L180-I185 HydrophobicContact CB-CG1 4.25Å; L180-I185 HydrophobicContact CD1-CD1 4.18Å; L180-I185 HydrophobicContact CD1-CG1 3.78Å; L180-I185 HydrophobicContact CG-CD1 4.43Å; L180-I185 HydrophobicContact CG-CG1 3.92Å; L180-N338 HydrophobicContact CD1-CB 3.76Å; L180-N338 HydrophobicContact CD2-CB 4.18Å; L180-L342 HydrophobicContact CD2-CD2 3.98Å |
| 181 | D | 93.7 | Very high | 96.5 | Very high | 121 Ų | 121 | 35.8 Ų | 35.8 | 65% | 0.647 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 35.4 | 178.7 | -58.5 | -34.2 | 0 | 0 | 0 | 114 | T162 S163 Y183 | T162-D181 PolarHBondContact O-N 2.95Å; T162-D181 VanDerWaalsContact O-N 3.08Å; S163-D181 PolarHBondContact OG-N 2.94Å; S163-D181 PolarHBondContact OG-OD1 3.22Å; D181-Y183 VanDerWaalsContact O-CD2 3.29Å; D181-Y183 WeakPolarHBondContact O-CD2 3.06Å; D181-Y183 WeakPolarHBondContact O-CE2 3.42Å |
| 182 | G | 92.9 | Very high | 96.5 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 12% | 0.124 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | -0.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V153 T162 L180 | V153-G182 VanDerWaalsContact CG1-O 3.25Å; V153-G182 WeakPolarHBondContact CG1-O 3.31Å; T162-G182 PolarHBondContact O-N 3.26Å; L180-G182 PolarHBondContact O-N 2.65Å; L180-G182 VanDerWaalsContact O-N 3.09Å |
| 183 | Y | 94.6 | Very high | 96.6 | Very high | 141 Ų | 141 | 35.1 Ų | 35.1 | 55% | 0.553 | 19% | 0.186 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 134 | 179.9 | -61.3 | -87.6 | 0 | 0 | 0 | 111.5 | V179 L180 D181 P420 | V179-Y183 CarbonylContact C-O 3.52Å; V179-Y183 VanDerWaalsContact CA-O 3.3Å; V179-Y183 WeakPolarHBondContact CA-O 3.39Å; L180-Y183 PolarHBondContact N-O 3.44Å; L180-Y183 PolarHBondContact O-N 2.91Å; D181-Y183 VanDerWaalsContact O-CD2 3.29Å; D181-Y183 WeakPolarHBondContact O-CD2 3.06Å; D181-Y183 WeakPolarHBondContact O-CE2 3.42Å; Y183-P420 HydrophobicContact CD1-CB 4.17Å; Y183-P420 HydrophobicContact CD1-CG 4.11Å; Y183-P420 HydrophobicContact CE1-CB 4.18Å; Y183-P420 HydrophobicContact CE1-CG 3.87Å |
| 184 | C | 95.6 | Very high | 96.6 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 134.1 | 170.5 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | A123 K150 V153 V177 P186 | A123-C184 VanDerWaalsContact CB-SG 3.53Å; K150-C184 HydrophobicContact CB-CB 4.43Å; K150-C184 HydrophobicContact CD-CB 3.32Å; K150-C184 HydrophobicContact CG-CB 4.5Å; V153-C184 HydrophobicContact CG2-CB 3.81Å; V177-C184 WeakPolarHBondContact CG2-SG 3.35Å; C184-P186 VanDerWaalsContact O-CD 3.28Å; C184-P186 WeakPolarHBondContact O-CD 3.47Å |
| 185 | I | 96.3 | Very high | 96.6 | Very high | 47 Ų | 47 | 34.1 Ų | 34.1 | 24% | 0.241 | 18% | 0.182 | C | C | . | . | trans | -101.3 | 98.5 | 179 | -49 | -55.4 | 0 | 0 | 0 | 109.9 | A178 L180 S187 T188 | A178-I185 HydrophobicContact CB-CB 4.35Å; A178-I185 HydrophobicContact CB-CG1 4.39Å; A178-I185 PolarHBondContact O-N 2.65Å; L180-I185 HydrophobicContact CB-CD1 4.28Å; L180-I185 HydrophobicContact CB-CG1 4.25Å; L180-I185 HydrophobicContact CD1-CD1 4.18Å; L180-I185 HydrophobicContact CD1-CG1 3.78Å; L180-I185 HydrophobicContact CG-CD1 4.43Å; L180-I185 HydrophobicContact CG-CG1 3.92Å; I185-S187 VanDerWaalsContact C-N 3.28Å; I185-S187 WeakPolarHBondContact CG2-OG 3.49Å; I185-S187 PolarHBondContact O-N 3.34Å; I185-T188 HydrophobicContact CB-CG2 4.08Å; I185-T188 HydrophobicContact CG2-CG2 3.79Å; I185-T188 PolarHBondContact O-N 2.95Å; I185-T188 VanDerWaalsContact O-N 3.07Å; I185-T188 PolarHBondContact O-OG1 3.2Å | ||
| 186 | P | 94.6 | Very high | 96.5 | Very high | 72 Ų | 72 | 33.8 Ų | 33.8 | 47% | 0.468 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -66 | -27.4 | -169.3 | -22.8 | 36.3 | 0 | 0 | 0 | 114.1 | C184 T188 I189 | C184-P186 VanDerWaalsContact O-CD 3.28Å; C184-P186 WeakPolarHBondContact O-CD 3.47Å; P186-T188 PolarHBondContact O-N 3.28Å; P186-T188 VanDerWaalsContact O-N 3.14Å; P186-I189 HydrophobicContact CB-CD1 3.98Å; P186-I189 WeakPolarHBondContact O-CB 3.27Å; P186-I189 VanDerWaalsContact O-CD1 3.32Å; P186-I189 WeakPolarHBondContact O-CD1 3.25Å; P186-I189 VanDerWaalsContact O-CG1 3.22Å; P186-I189 WeakPolarHBondContact O-CG1 3.45Å; P186-I189 PolarHBondContact O-N 3.41Å; P186-I189 VanDerWaalsContact O-N 3.17Å |
| 187 | S | 95.9 | Very high | 96.4 | Very high | 84 Ų | 84 | 36 Ų | 36 | 59% | 0.587 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -63.8 | -16.1 | 176.6 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | I185 | I185-S187 VanDerWaalsContact C-N 3.28Å; I185-S187 WeakPolarHBondContact CG2-OG 3.49Å; I185-S187 PolarHBondContact O-N 3.34Å |
| 188 | T | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -94.3 | 0.1 | 179.2 | 68.8 | 0 | 0 | 0 | 0 | 113.7 | A178 I185 P186 A190 S330 C334 | A178-T188 HydrophobicContact CB-CG2 3.94Å; A178-T188 VanDerWaalsContact CB-OG1 3.32Å; A178-T188 WeakPolarHBondContact CB-OG1 3.48Å; A178-T188 PolarHBondContact N-OG1 3.35Å; I185-T188 HydrophobicContact CB-CG2 4.08Å; I185-T188 HydrophobicContact CG2-CG2 3.79Å; I185-T188 PolarHBondContact O-N 2.95Å; I185-T188 VanDerWaalsContact O-N 3.07Å; I185-T188 PolarHBondContact O-OG1 3.2Å; P186-T188 PolarHBondContact O-N 3.28Å; P186-T188 VanDerWaalsContact O-N 3.14Å; T188-A190 PolarHBondContact O-N 3.43Å; T188-A190 VanDerWaalsContact O-N 3.15Å; T188-S330 WeakPolarHBondContact O-CA 3.43Å; T188-S330 VanDerWaalsContact O-CB 3.25Å; T188-S330 WeakPolarHBondContact O-CB 3.42Å; T188-S330 PolarHBondContact O-OG 3.27Å; T188-C334 HydrophobicContact CG2-CB 3.81Å |
| 189 | I | 97.7 | Very high | 96.4 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 18% | 0.179 | 20% | 0.197 | C | C | . | . | trans | -65.3 | 116.8 | -177.9 | -65.6 | 164.8 | 0 | 0 | 0 | 109.5 | A123 W124 A176 V177 P186 R191 | A123-I189 HydrophobicContact CB-CD1 3.65Å; A123-I189 HydrophobicContact CB-CG1 4.14Å; W124-I189 HydrophobicContact CB-CD1 4.41Å; W124-I189 HydrophobicContact CE3-CD1 4.29Å; W124-I189 HydrophobicContact CE3-CG2 3.84Å; W124-I189 HydrophobicContact CZ3-CG2 4.22Å; A176-I189 WeakPolarHBondContact O-CA 3.49Å; V177-I189 HydrophobicContact CB-CG1 4.1Å; V177-I189 HydrophobicContact CG2-CG1 3.55Å; P186-I189 HydrophobicContact CB-CD1 3.98Å; P186-I189 WeakPolarHBondContact O-CB 3.27Å; P186-I189 VanDerWaalsContact O-CD1 3.32Å; P186-I189 WeakPolarHBondContact O-CD1 3.25Å; P186-I189 VanDerWaalsContact O-CG1 3.22Å; P186-I189 WeakPolarHBondContact O-CG1 3.45Å; P186-I189 PolarHBondContact O-N 3.41Å; P186-I189 VanDerWaalsContact O-N 3.17Å; I189-R191 HydrophobicContact CG2-CG 3.66Å | ||
| 190 | A | 97.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 5% | 0.05 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 137.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y175 A176 T188 V326 T329 | Y175-A190 CarbonylContact C-O 3.46Å; Y175-A190 WeakPolarHBondContact CA-O 3.25Å; Y175-A190 WeakPolarHBondContact CB-O 3.42Å; A176-A190 PolarHBondContact N-O 3.1Å; A176-A190 PolarHBondContact O-N 2.96Å; T188-A190 PolarHBondContact O-N 3.43Å; T188-A190 VanDerWaalsContact O-N 3.15Å; A190-V326 HydrophobicContact CB-CG1 3.88Å; A190-V326 VanDerWaalsContact CB-O 3.29Å; A190-V326 WeakPolarHBondContact CB-O 3.31Å; A190-V326 WeakPolarHBondContact O-CG1 3.38Å; A190-T329 HydrophobicContact CB-CG2 4.04Å |
| 191 | R | 97.5 | Very high | 96.4 | Very high | 97 Ų | 97 | 38.8 Ų | 38.8 | 37% | 0.366 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 152.9 | -173.9 | -54 | -170 | -68.5 | 161 | -4.2 | 111.4 | D88 W124 T174 I189 | D88-R191 IonicContact OD1-NH1 3.87Å; D88-R191 PolarHBondContact OD1-NH1 3.26Å; D88-R191 IonicContact OD2-CZ 3.7Å; D88-R191 IonicContact OD2-NH1 3.01Å; D88-R191 PolarHBondContact OD2-NH1 2.87Å; D88-R191 IonicContact OD2-NH2 2.93Å; W124-R191 HydrophobicContact CZ3-CG 4.36Å; T174-R191 CarbonylContact O-C 3.46Å; T174-R191 WeakPolarHBondContact O-CA 3.44Å; I189-R191 HydrophobicContact CG2-CG 3.66Å |
| 192 | S | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 140.6 | 175.7 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | Q173 T174 L194 L321 | Q173-S192 CarbonylContact C-O 3.58Å; Q173-S192 VanDerWaalsContact CA-O 3.31Å; Q173-S192 WeakPolarHBondContact CA-O 3.15Å; Q173-S192 WeakPolarHBondContact CB-O 3.44Å; T174-S192 PolarHBondContact N-O 3.06Å; T174-S192 PolarHBondContact O-N 3.44Å; S192-L194 PolarHBondContact O-N 3.38Å; S192-L194 WeakPolarHBondContact OG-CB 3.44Å; S192-L194 VanDerWaalsContact OG-CG 3.29Å; S192-L194 WeakPolarHBondContact OG-CG 3.35Å; S192-L194 PolarHBondContact OG-N 3Å; S192-L321 WeakPolarHBondContact CB-O 3.34Å; S192-L321 PolarHBondContact OG-O 2.58Å |
| 193 | P | 97 | Very high | 96.6 | Very high | 54 Ų | 54 | 32.8 Ų | 32.8 | 35% | 0.351 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -71.7 | -4.3 | 172.4 | 32.6 | -37.3 | 0 | 0 | 0 | 113.1 | A195 F198 L316 A320 | P193-A195 PolarHBondContact O-N 2.88Å; P193-F198 WeakPolarHBondContact O-CB 3.47Å; P193-L316 HydrophobicContact CB-CD2 4.27Å; P193-L316 HydrophobicContact CG-CD1 4.34Å; P193-L316 HydrophobicContact CG-CD2 3.95Å; P193-A320 HydrophobicContact CG-CB 3.87Å |
| 194 | L | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -73.8 | 93.9 | 178.8 | -57.7 | -179.8 | 0 | 0 | 0 | 109.9 | T174 S192 F198 A304 L305 T308 I311 L316 A320 L321 | T174-L194 WeakPolarHBondContact CB-O 3.29Å; T174-L194 PolarHBondContact OG1-O 2.81Å; S192-L194 PolarHBondContact O-N 3.38Å; S192-L194 WeakPolarHBondContact OG-CB 3.44Å; S192-L194 VanDerWaalsContact OG-CG 3.29Å; S192-L194 WeakPolarHBondContact OG-CG 3.35Å; S192-L194 PolarHBondContact OG-N 3Å; L194-F198 HydrophobicContact CD2-CD1 3.78Å; L194-F198 HydrophobicContact CD2-CD2 3.83Å; L194-F198 HydrophobicContact CD2-CE1 3.69Å; L194-F198 HydrophobicContact CD2-CE2 3.71Å; L194-F198 HydrophobicContact CD2-CG 3.87Å; L194-F198 HydrophobicContact CD2-CZ 3.67Å; L194-A304 WeakPolarHBondContact CD1-O 3.47Å; L194-L305 HydrophobicContact CB-CD2 4Å; L194-T308 HydrophobicContact CD1-CG2 4.29Å; L194-I311 HydrophobicContact CD1-CD1 4.33Å; L194-I311 HydrophobicContact CD2-CD1 3.92Å; L194-I311 HydrophobicContact CD2-CG1 4.5Å; L194-L316 HydrophobicContact CD2-CD1 3.93Å; L194-A320 HydrophobicContact CD1-CB 4.01Å; L194-A320 HydrophobicContact CD2-CB 4.15Å; L194-A320 HydrophobicContact CG-CB 3.84Å; L194-L321 VanDerWaalsContact CD1-O 3.3Å; L194-L321 WeakPolarHBondContact CD1-O 3.41Å | ||
| 195 | A | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -152.3 | -162.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A171 Q173 P193 D197 F198 I199 | A171-A195 WeakPolarHBondContact O-CB 3.31Å; Q173-A195 VanDerWaalsContact CA-CB 3.5Å; P193-A195 PolarHBondContact O-N 2.88Å; A195-D197 PolarHBondContact O-N 3.4Å; A195-F198 WeakPolarHBondContact O-CB 3.45Å; A195-F198 PolarHBondContact O-N 3.02Å; A195-I199 PolarHBondContact O-N 2.95Å; A195-I199 VanDerWaalsContact O-N 3.11Å |
| 196 | G | 96.9 | Very high | 96.5 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.6 | -48.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G170 A171 F198 I199 T200 K260 | G170-G196 PolarHBondContact O-N 2.98Å; A171-G196 CarbonylContact O-C 3.55Å; A171-G196 PolarHBondContact O-N 3.17Å; A171-G196 VanDerWaalsContact O-N 3.13Å; G196-F198 VanDerWaalsContact C-N 3.34Å; G196-F198 PolarHBondContact O-N 2.86Å; G196-I199 PolarHBondContact O-N 3.38Å; G196-T200 PolarHBondContact O-N 2.86Å; G196-T200 PolarHBondContact O-OG1 2.93Å; G196-T200 VanDerWaalsContact O-OG1 3.13Å; G196-K260 PolarHBondContact O-NZ 2.92Å |
| 197 | D | 96.2 | Very high | 96.6 | Very high | 46 Ų | 46 | 27 Ų | 27 | 25% | 0.246 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.1 | -34.9 | -176.6 | -75.1 | 2.6 | 0 | 0 | 0 | 112 | A171 A195 T200 T201 K253 | A171-D197 WeakPolarHBondContact O-CB 3.29Å; A171-D197 PolarHBondContact O-N 3.15Å; A195-D197 PolarHBondContact O-N 3.4Å; D197-T200 PolarHBondContact O-N 3.3Å; D197-T201 PolarHBondContact O-N 3.25Å; D197-T201 PolarHBondContact O-OG1 2.87Å; D197-K253 WeakPolarHBondContact OD1-CE 3.21Å; D197-K253 IonicContact OD1-NZ 3.7Å; D197-K253 PolarHBondContact OD1-NZ 3.35Å; D197-K253 IonicContact OD2-NZ 3.83Å; D197-K253 PolarHBondContact OD2-NZ 2.76Å; D197-K253 VanDerWaalsContact OD2-NZ 3.15Å |
| 198 | F | 97.3 | Very high | 96.5 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 6% | 0.057 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 172.2 | 173 | -93.4 | 0 | 0 | 0 | 111 | P193 L194 A195 G196 T200 T201 G202 A304 I311 M315 L316 | P193-F198 WeakPolarHBondContact O-CB 3.47Å; L194-F198 HydrophobicContact CD2-CD1 3.78Å; L194-F198 HydrophobicContact CD2-CD2 3.83Å; L194-F198 HydrophobicContact CD2-CE1 3.69Å; L194-F198 HydrophobicContact CD2-CE2 3.71Å; L194-F198 HydrophobicContact CD2-CG 3.87Å; L194-F198 HydrophobicContact CD2-CZ 3.67Å; A195-F198 WeakPolarHBondContact O-CB 3.45Å; A195-F198 PolarHBondContact O-N 3.02Å; G196-F198 VanDerWaalsContact C-N 3.34Å; G196-F198 PolarHBondContact O-N 2.86Å; F198-T200 PolarHBondContact O-N 3.05Å; F198-T201 WeakPolarHBondContact O-CB 3.39Å; F198-T201 PolarHBondContact O-N 3.01Å; F198-G202 PolarHBondContact O-N 3.34Å; F198-A304 HydrophobicContact CE1-CB 3.67Å; F198-A304 HydrophobicContact CZ-CB 4.01Å; F198-I311 HydrophobicContact CE2-CG2 4.14Å; F198-I311 HydrophobicContact CZ-CB 4.44Å; F198-I311 HydrophobicContact CZ-CG1 3.91Å; F198-I311 HydrophobicContact CZ-CG2 4.1Å; F198-M315 HydrophobicContact CD2-CE 3.92Å; F198-M315 HydrophobicContact CE1-CE 4.19Å; F198-M315 HydrophobicContact CE2-CB 3.98Å; F198-M315 HydrophobicContact CE2-CE 3.49Å; F198-M315 VanDerWaalsContact CE2-CE 3.49Å; F198-M315 HydrophobicContact CE2-SD 4.11Å; F198-M315 HydrophobicContact CG-CE 4.44Å; F198-M315 HydrophobicContact CZ-CE 3.61Å; F198-M315 HydrophobicContact CZ-SD 4.04Å; F198-M315 WeakPolarHBondContact O-CE 3.21Å; F198-L316 HydrophobicContact CD2-CD2 3.97Å; F198-L316 HydrophobicContact CD2-CG 4.22Å; F198-L316 HydrophobicContact CE2-CD1 4.11Å; F198-L316 HydrophobicContact CE2-CD2 4.22Å; F198-L316 HydrophobicContact CE2-CG 3.94Å |
| 199 | I | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 175.4 | -64.3 | -58.5 | 0 | 0 | 0 | 111.6 | A195 G196 T201 G202 C203 K260 L264 I301 L305 | A195-I199 PolarHBondContact O-N 2.95Å; A195-I199 VanDerWaalsContact O-N 3.11Å; G196-I199 PolarHBondContact O-N 3.38Å; I199-T201 VanDerWaalsContact C-N 3.26Å; I199-T201 PolarHBondContact O-N 2.67Å; I199-G202 PolarHBondContact O-N 2.74Å; I199-G202 VanDerWaalsContact O-N 3.1Å; I199-C203 PolarHBondContact O-N 3.4Å; I199-C203 PolarHBondContact O-SG 2.88Å; I199-K260 HydrophobicContact CG2-CD 3.86Å; I199-K260 HydrophobicContact CG2-CG 4.33Å; I199-L264 HydrophobicContact CG2-CD1 3.31Å; I199-I301 HydrophobicContact CD1-CG2 4.4Å; I199-I301 WeakPolarHBondContact CD1-O 3.43Å; I199-I301 HydrophobicContact CG2-CG2 3.98Å; I199-L305 HydrophobicContact CD1-CD1 4.15Å; I199-L305 HydrophobicContact CD1-CD2 3.97Å; I199-L305 HydrophobicContact CD1-CG 3.87Å; I199-L305 HydrophobicContact CG1-CD1 4.23Å; I199-L305 HydrophobicContact CG1-CD2 4.04Å; I199-L305 HydrophobicContact CG1-CG 4.28Å |
| 200 | T | 97 | Very high | 96.2 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.5 | -40.6 | 175.8 | -61.7 | 0 | 0 | 0 | 0 | 111.1 | G196 D197 F198 C203 L204 K253 I256 K260 | G196-T200 PolarHBondContact O-N 2.86Å; G196-T200 PolarHBondContact O-OG1 2.93Å; G196-T200 VanDerWaalsContact O-OG1 3.13Å; D197-T200 PolarHBondContact O-N 3.3Å; F198-T200 PolarHBondContact O-N 3.05Å; T200-C203 WeakPolarHBondContact O-CB 3.47Å; T200-C203 PolarHBondContact O-N 3.05Å; T200-L204 PolarHBondContact O-N 3.42Å; T200-K253 HydrophobicContact CG2-CB 4.49Å; T200-K253 HydrophobicContact CG2-CG 4.12Å; T200-I256 HydrophobicContact CG2-CB 4.24Å; T200-I256 HydrophobicContact CG2-CG2 3.8Å; T200-K260 PolarHBondContact OG1-NZ 3.08Å |
| 201 | T | 95.6 | Very high | 96 | Very high | 59 Ų | 59 | 39.5 Ų | 39.5 | 36% | 0.362 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.5 | -40.5 | 175.1 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | D197 F198 I199 C203 L204 Q205 M315 | D197-T201 PolarHBondContact O-N 3.25Å; D197-T201 PolarHBondContact O-OG1 2.87Å; F198-T201 WeakPolarHBondContact O-CB 3.39Å; F198-T201 PolarHBondContact O-N 3.01Å; I199-T201 VanDerWaalsContact C-N 3.26Å; I199-T201 PolarHBondContact O-N 2.67Å; T201-C203 VanDerWaalsContact C-N 3.35Å; T201-C203 PolarHBondContact O-N 3.09Å; T201-L204 WeakPolarHBondContact O-CB 3.33Å; T201-L204 PolarHBondContact O-N 2.73Å; T201-Q205 WeakPolarHBondContact O-CG 3.43Å; T201-Q205 PolarHBondContact O-N 2.87Å; T201-M315 HydrophobicContact CG2-CE 4.28Å |
| 202 | G | 95.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F198 I199 Q205 Y206 | F198-G202 PolarHBondContact O-N 3.34Å; I199-G202 PolarHBondContact O-N 2.74Å; I199-G202 VanDerWaalsContact O-N 3.1Å; G202-Q205 PolarHBondContact O-N 3.3Å; G202-Y206 PolarHBondContact O-N 2.89Å |
| 203 | C | 96.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 172.6 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | I199 T200 T201 Q205 Y206 L207 I256 M259 K260 | I199-C203 PolarHBondContact O-N 3.4Å; I199-C203 PolarHBondContact O-SG 2.88Å; T200-C203 WeakPolarHBondContact O-CB 3.47Å; T200-C203 PolarHBondContact O-N 3.05Å; T201-C203 VanDerWaalsContact C-N 3.35Å; T201-C203 PolarHBondContact O-N 3.09Å; C203-Q205 VanDerWaalsContact C-N 3.34Å; C203-Q205 PolarHBondContact O-N 3.14Å; C203-Y206 PolarHBondContact O-N 3.32Å; C203-L207 WeakPolarHBondContact O-CB 3.47Å; C203-L207 VanDerWaalsContact O-CG 3.23Å; C203-L207 WeakPolarHBondContact O-CG 3.33Å; C203-L207 PolarHBondContact O-N 2.76Å; C203-I256 HydrophobicContact CB-CG2 3.56Å; C203-M259 HydrophobicContact CB-CE 3.79Å; C203-M259 VanDerWaalsContact SG-CE 3.52Å; C203-K260 VanDerWaalsContact SG-CG 3.56Å |
| 204 | L | 95.3 | Very high | 95.4 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.8 | -49.1 | 176.7 | -79.5 | 167.7 | 0 | 0 | 0 | 111.8 | T200 T201 Y206 L207 Q208 V252 I256 | T200-L204 PolarHBondContact O-N 3.42Å; T201-L204 WeakPolarHBondContact O-CB 3.33Å; T201-L204 PolarHBondContact O-N 2.73Å; L204-Y206 VanDerWaalsContact C-N 3.33Å; L204-Y206 PolarHBondContact O-N 2.84Å; L204-L207 PolarHBondContact O-N 2.7Å; L204-Q208 WeakPolarHBondContact O-CB 3.36Å; L204-Q208 VanDerWaalsContact O-CG 3.25Å; L204-Q208 WeakPolarHBondContact O-CG 3Å; L204-Q208 PolarHBondContact O-N 3.11Å; L204-V252 HydrophobicContact CD2-CG1 3.78Å; L204-I256 HydrophobicContact CD1-CD1 4.28Å; L204-I256 HydrophobicContact CD2-CD1 3.16Å; L204-I256 HydrophobicContact CG-CD1 3.46Å; L204-I256 VanDerWaalsContact CG-CD1 3.46Å |
| 205 | Q | 93.9 | Very high | 95.3 | Very high | 56 Ų | 56 | 41.9 Ų | 41.9 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 179.9 | -72.6 | -174.8 | -14.3 | 0 | 0 | 112.2 | T201 G202 C203 G209 M315 | T201-Q205 WeakPolarHBondContact O-CG 3.43Å; T201-Q205 PolarHBondContact O-N 2.87Å; G202-Q205 PolarHBondContact O-N 3.3Å; C203-Q205 VanDerWaalsContact C-N 3.34Å; C203-Q205 PolarHBondContact O-N 3.14Å; Q205-G209 PolarHBondContact O-N 2.98Å; Q205-M315 PolarHBondContact OE1-SD 2.71Å |
| 206 | Y | 94.8 | Very high | 95.2 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -51.1 | 175 | 169.9 | -103.8 | 0 | 0 | 0 | 111.6 | G202 C203 L204 Q208 G209 A210 F294 E297 I301 | G202-Y206 PolarHBondContact O-N 2.89Å; C203-Y206 PolarHBondContact O-N 3.32Å; L204-Y206 VanDerWaalsContact C-N 3.33Å; L204-Y206 PolarHBondContact O-N 2.84Å; Y206-Q208 VanDerWaalsContact C-N 3.34Å; Y206-Q208 PolarHBondContact O-N 2.48Å; Y206-G209 PolarHBondContact O-N 3.5Å; Y206-A210 WeakPolarHBondContact O-CB 3.44Å; Y206-A210 PolarHBondContact O-N 2.89Å; Y206-F294 HydrophobicContact CD1-CE1 4.11Å; Y206-F294 AromaticContact CE1-CD1 3.93Å; Y206-F294 HydrophobicContact CE1-CD1 3.93Å; Y206-F294 AromaticContact CE1-CE1 3.64Å; Y206-F294 HydrophobicContact CE1-CE1 3.64Å; Y206-E297 HydrophobicContact CD2-CB 4.21Å; Y206-E297 HydrophobicContact CD2-CG 4.27Å; Y206-E297 HydrophobicContact CE1-CB 4.47Å; Y206-E297 HydrophobicContact CE2-CB 3.78Å; Y206-E297 HydrophobicContact CE2-CG 3.5Å; Y206-I301 HydrophobicContact CD1-CD1 4.34Å; Y206-I301 HydrophobicContact CG-CD1 4.18Å |
| 207 | L | 95.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | -177.9 | -66.2 | 167.6 | 0 | 0 | 0 | 111.5 | C203 L204 A210 N211 I212 V214 I256 M259 F286 F294 | C203-L207 WeakPolarHBondContact O-CB 3.47Å; C203-L207 VanDerWaalsContact O-CG 3.23Å; C203-L207 WeakPolarHBondContact O-CG 3.33Å; C203-L207 PolarHBondContact O-N 2.76Å; L204-L207 PolarHBondContact O-N 2.7Å; L207-A210 CarbonylContact O-C 3.56Å; L207-A210 PolarHBondContact O-N 3.07Å; L207-N211 PolarHBondContact O-N 2.77Å; L207-I212 HydrophobicContact CB-CB 4.34Å; L207-I212 HydrophobicContact CD2-CB 4.06Å; L207-I212 HydrophobicContact CD2-CD1 4.09Å; L207-I212 HydrophobicContact CD2-CG2 3.91Å; L207-I212 PolarHBondContact O-N 3.05Å; L207-V214 HydrophobicContact CB-CG2 4.43Å; L207-V214 HydrophobicContact CD1-CG2 3.52Å; L207-I256 HydrophobicContact CD1-CG1 4.4Å; L207-M259 HydrophobicContact CD1-SD 4.02Å; L207-M259 HydrophobicContact CD2-SD 4.47Å; L207-F286 HydrophobicContact CD1-CE1 4.4Å; L207-F286 HydrophobicContact CD1-CZ 3.91Å; L207-F286 HydrophobicContact CD2-CE2 4.32Å; L207-F286 HydrophobicContact CD2-CZ 3.95Å; L207-F294 HydrophobicContact CD2-CE1 4.2Å; L207-F294 HydrophobicContact CD2-CZ 4.08Å |
| 208 | Q | 93.9 | Very high | 95.1 | Very high | 133 Ų | 133 | 47.5 Ų | 47.5 | 62% | 0.621 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | 173.6 | -73.5 | 172.7 | -13.4 | 0 | 0 | 112 | L204 Y206 A210 N211 | L204-Q208 WeakPolarHBondContact O-CB 3.36Å; L204-Q208 VanDerWaalsContact O-CG 3.25Å; L204-Q208 WeakPolarHBondContact O-CG 3Å; L204-Q208 PolarHBondContact O-N 3.11Å; Y206-Q208 VanDerWaalsContact C-N 3.34Å; Y206-Q208 PolarHBondContact O-N 2.48Å; Q208-A210 PolarHBondContact O-N 2.79Å; Q208-N211 PolarHBondContact O-N 2.75Å |
| 209 | G | 94.3 | Very high | 95.1 | Very high | 66 Ų | 66 | 48.1 Ų | 48.1 | 68% | 0.68 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.7 | -28.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q205 Y206 N211 | Q205-G209 PolarHBondContact O-N 2.98Å; Y206-G209 PolarHBondContact O-N 3.5Å; G209-N211 VanDerWaalsContact C-N 3.31Å |
| 210 | A | 94.3 | Very high | 95 | Very high | 42 Ų | 42 | 49 Ų | 49 | 35% | 0.347 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 2.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y206 L207 Q208 I212 | Y206-A210 WeakPolarHBondContact O-CB 3.44Å; Y206-A210 PolarHBondContact O-N 2.89Å; L207-A210 CarbonylContact O-C 3.56Å; L207-A210 PolarHBondContact O-N 3.07Å; Q208-A210 PolarHBondContact O-N 2.79Å; A210-I212 VanDerWaalsContact C-N 3.27Å; A210-I212 HydrophobicContact CB-CD1 3.75Å; A210-I212 HydrophobicContact CB-CG1 3.93Å; A210-I212 PolarHBondContact O-N 2.95Å |
| 211 | N | 94.6 | Very high | 94.9 | Very high | 147 Ų | 147 | 54.1 Ų | 54.1 | 79% | 0.786 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 39.2 | -172.8 | -58.2 | -57.4 | 0 | 0 | 0 | 113.4 | L207 Q208 G209 | L207-N211 PolarHBondContact O-N 2.77Å; Q208-N211 PolarHBondContact O-N 2.75Å; G209-N211 VanDerWaalsContact C-N 3.31Å |
| 212 | I | 92.7 | Very high | 94.8 | Very high | 36 Ų | 36 | 55.6 Ų | 55.6 | 19% | 0.185 | 29% | 0.291 | C | S | . | . | trans | -103.4 | 110 | 176.5 | -59.9 | 171.6 | 0 | 0 | 0 | 108.7 | L207 A210 V214 F286 V292 | L207-I212 HydrophobicContact CB-CB 4.34Å; L207-I212 HydrophobicContact CD2-CB 4.06Å; L207-I212 HydrophobicContact CD2-CD1 4.09Å; L207-I212 HydrophobicContact CD2-CG2 3.91Å; L207-I212 PolarHBondContact O-N 3.05Å; A210-I212 VanDerWaalsContact C-N 3.27Å; A210-I212 HydrophobicContact CB-CD1 3.75Å; A210-I212 HydrophobicContact CB-CG1 3.93Å; A210-I212 PolarHBondContact O-N 2.95Å; I212-V214 PolarHBondContact O-N 3.41Å; I212-F286 HydrophobicContact CG2-CE2 4.12Å; I212-V292 HydrophobicContact CD1-CG1 3.69Å; I212-V292 HydrophobicContact CD1-CG2 3.97Å; I212-V292 HydrophobicContact CG2-CG2 3.89Å | ||
| 213 | D | 91.4 | Very high | 94.6 | Very high | 132 Ų | 132 | 59.7 Ų | 59.7 | 71% | 0.706 | 31% | 0.307 | S | S | * | . | trans | -78.9 | 118.5 | 178.4 | -72.5 | -24.4 | 0 | 0 | 0 | 111.6 | V215 | D213-V215 PolarHBondContact O-N 3.42Š| ||
| 214 | V | 94.6 | Very high | 94.1 | Very high | 23 Ų | 23 | 64.8 Ų | 64.8 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | trans | -79.4 | 105.1 | 172.3 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | L207 I212 P216 V252 A255 I256 F286 | L207-V214 HydrophobicContact CB-CG2 4.43Å; L207-V214 HydrophobicContact CD1-CG2 3.52Å; I212-V214 PolarHBondContact O-N 3.41Å; V214-P216 VanDerWaalsContact O-CD 3.29Å; V214-P216 WeakPolarHBondContact O-CD 3.37Å; V214-V252 HydrophobicContact CB-CG1 4.29Å; V214-V252 HydrophobicContact CG1-CG1 4.05Å; V214-A255 HydrophobicContact CG1-CB 3.98Å; V214-I256 HydrophobicContact CG1-CD1 4.47Å; V214-I256 HydrophobicContact CG1-CG1 4.25Å; V214-I256 HydrophobicContact CG2-CD1 4.37Å; V214-I256 HydrophobicContact CG2-CG1 4.35Å; V214-F286 HydrophobicContact CG1-CD1 4.27Å; V214-F286 HydrophobicContact CG1-CE1 4.16Å; V214-F286 HydrophobicContact CG2-CE1 3.99Å; V214-F286 HydrophobicContact CG2-CZ 4.38Å | ||
| 215 | V | 95.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 66.9 Ų | 66.9 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | trans | -96.4 | 107.8 | 177.4 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | D213 M219 I220 W234 N288 | D213-V215 PolarHBondContact O-N 3.42Å; V215-M219 HydrophobicContact CG1-CB 4.07Å; V215-I220 HydrophobicContact CG1-CD1 4.17Å; V215-I220 HydrophobicContact CG1-CG1 3.81Å; V215-W234 HydrophobicContact CB-CH2 4.42Å; V215-W234 HydrophobicContact CG1-CH2 3.7Å; V215-W234 HydrophobicContact CG1-CZ2 4.28Å; V215-W234 HydrophobicContact CG1-CZ3 3.86Å; V215-W234 HydrophobicContact CG2-CH2 3.94Å; V215-W234 HydrophobicContact CG2-CZ2 3.8Å; V215-N288 HydrophobicContact CB-CB 4.04Å; V215-N288 HydrophobicContact CG1-CB 4.32Å; V215-N288 WeakPolarHBondContact CG2-ND2 3.36Å | ||
| 216 | P | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -70.4 | 154.9 | -179.6 | 29 | -36.2 | 0 | 0 | 0 | 112.4 | V214 Y218 M219 M251 V252 | V214-P216 VanDerWaalsContact O-CD 3.29Å; V214-P216 WeakPolarHBondContact O-CD 3.37Å; P216-Y218 VanDerWaalsContact C-N 3.27Å; P216-Y218 HydrophobicContact CB-CD1 3.87Å; P216-Y218 HydrophobicContact CB-CE1 3.93Å; P216-Y218 HydrophobicContact CG-CD1 3.72Å; P216-Y218 HydrophobicContact CG-CE1 3.32Å; P216-Y218 PolarHBondContact O-N 2.92Å; P216-Y218 VanDerWaalsContact O-N 3.12Å; P216-M219 HydrophobicContact CG-CG 4.12Å; P216-M219 HydrophobicContact CG-SD 3.69Å; P216-M219 PolarHBondContact O-N 2.79Å; P216-M251 HydrophobicContact CB-CB 3.7Å; P216-M251 HydrophobicContact CG-CB 4.31Å; P216-V252 HydrophobicContact CB-CG2 4.38Å; P216-V252 HydrophobicContact CG-CG2 4Å | ||
| 217 | K | 95.4 | Very high | 89.3 | Confident | 150 Ų | 150 | 74.6 Ų | 74.6 | 65% | 0.652 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -49.6 | -41.9 | -175 | -71.4 | 173.5 | -176.7 | 171.6 | 0 | 113.7 | M219 I220 P287 | K217-M219 PolarHBondContact O-N 3.08Å; K217-M219 VanDerWaalsContact O-N 3.11Å; K217-I220 PolarHBondContact O-N 3.04Å; K217-I220 VanDerWaalsContact O-N 3.16Å; K217-P287 HydrophobicContact CG-CB 3.68Å; K217-P287 HydrophobicContact CG-CG 3.88Å |
| 218 | Y | 95.2 | Very high | 87.6 | Confident | 22 Ų | 22 | 79 Ų | 79 | 9% | 0.086 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -63.5 | -21.5 | -175.4 | 83.2 | -90.1 | 0 | 0 | 0 | 113.7 | P76 P216 L240 V243 F247 H248 M251 | P76-Y218 HydrophobicContact CB-CD2 4.21Å; P76-Y218 HydrophobicContact CG-CD2 4.43Å; P216-Y218 VanDerWaalsContact C-N 3.27Å; P216-Y218 HydrophobicContact CB-CD1 3.87Å; P216-Y218 HydrophobicContact CB-CE1 3.93Å; P216-Y218 HydrophobicContact CG-CD1 3.72Å; P216-Y218 HydrophobicContact CG-CE1 3.32Å; P216-Y218 PolarHBondContact O-N 2.92Å; P216-Y218 VanDerWaalsContact O-N 3.12Å; Y218-L240 HydrophobicContact CD2-CD1 4.06Å; Y218-L240 HydrophobicContact CD2-CD2 4.48Å; Y218-L240 HydrophobicContact CE2-CD1 4.18Å; Y218-V243 HydrophobicContact CE2-CG1 4.37Å; Y218-V243 HydrophobicContact CE2-CG2 4.18Å; Y218-F247 AromaticContact CD1-CE1 3.88Å; Y218-F247 HydrophobicContact CD1-CE1 3.88Å; Y218-F247 HydrophobicContact CD1-CZ 4.5Å; Y218-F247 AromaticContact CD2-CE1 3.93Å; Y218-F247 HydrophobicContact CD2-CE1 3.93Å; Y218-F247 HydrophobicContact CE1-CD1 4.39Å; Y218-F247 AromaticContact CE1-CE1 3.86Å; Y218-F247 HydrophobicContact CE1-CE1 3.86Å; Y218-F247 AromaticContact CE2-CE1 3.93Å; Y218-F247 HydrophobicContact CE2-CE1 3.93Å; Y218-F247 AromaticContact CG-CE1 3.91Å; Y218-F247 HydrophobicContact CG-CE1 3.91Å; Y218-F247 HydrophobicContact CG-CZ 4.37Å; Y218-F247 AromaticContact CZ-CE1 3.89Å; Y218-H248 AromaticContact CE1-ND1 3.91Å; Y218-H248 AromaticContact CZ-ND1 3.76Å; Y218-H248 PolarHBondContact OH-ND1 3.22Å; Y218-M251 HydrophobicContact CD1-CB 3.63Å; Y218-M251 HydrophobicContact CD1-CG 3.58Å; Y218-M251 HydrophobicContact CD1-SD 4.48Å; Y218-M251 HydrophobicContact CE1-CB 3.75Å; Y218-M251 HydrophobicContact CE1-CG 3.86Å |
| 219 | M | 96.7 | Very high | 85.9 | Confident | 26 Ų | 26 | 75.4 Ų | 75.4 | 13% | 0.128 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -83.9 | -14.7 | -179.3 | -68.1 | 176.3 | 64.3 | 0 | 0 | 113.7 | V215 P216 K217 K236 K237 | V215-M219 HydrophobicContact CG1-CB 4.07Å; P216-M219 HydrophobicContact CG-CG 4.12Å; P216-M219 HydrophobicContact CG-SD 3.69Å; P216-M219 PolarHBondContact O-N 2.79Å; K217-M219 PolarHBondContact O-N 3.08Å; K217-M219 VanDerWaalsContact O-N 3.11Å; M219-K236 HydrophobicContact CE-CD 4.24Å; M219-K236 VanDerWaalsContact CE-CE 3.44Å; M219-K236 CarbonylContact O-C 3.55Å; M219-K236 WeakPolarHBondContact O-CA 3.49Å; M219-K236 WeakPolarHBondContact O-CG 3.5Å; M219-K237 PolarHBondContact O-N 3.29Å |
| 220 | I | 96 | Very high | 84.6 | Confident | 19 Ų | 19 | 82.6 Ų | 82.6 | 10% | 0.097 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.5 | -168.5 | -60 | 159.8 | 0 | 0 | 0 | 109.6 | V215 K217 W234 K237 P287 N288 | V215-I220 HydrophobicContact CG1-CD1 4.17Å; V215-I220 HydrophobicContact CG1-CG1 3.81Å; K217-I220 PolarHBondContact O-N 3.04Å; K217-I220 VanDerWaalsContact O-N 3.16Å; I220-W234 HydrophobicContact CG1-CE3 4.22Å; I220-W234 HydrophobicContact CG1-CZ3 4.39Å; I220-K237 WeakPolarHBondContact O-CE 3.44Å; I220-P287 HydrophobicContact CD1-CB 3.6Å; I220-P287 WeakPolarHBondContact CD1-O 3.26Å; I220-N288 VanDerWaalsContact CD1-CA 3.49Å; I220-N288 HydrophobicContact CD1-CB 3.8Å; I220-N288 VanDerWaalsContact CD1-N 3.27Å; I220-N288 HydrophobicContact CG1-CB 4.22Å |
| 221 | K | 95.3 | Very high | 83.7 | Confident | 113 Ų | 113 | 87.9 Ų | 87.9 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -50.3 | 175.3 | -171.8 | 176.9 | -179.5 | 168.3 | 0 | 110.5 | K235 K237 | K221-K235 HydrophobicContact CB-CB 4.5Å; K221-K235 VanDerWaalsContact CB-O 3.31Å; K221-K235 WeakPolarHBondContact CB-O 3.32Å; K221-K235 HydrophobicContact CD-CD 4.5Å; K221-K235 PolarHBondContact N-O 3.14Å; K221-K237 HydrophobicContact CB-CG 3.74Å; K221-K237 HydrophobicContact CG-CG 4.32Å |
| 222 | Y | 93.7 | Very high | 83.1 | Confident | 90 Ų | 90 | 83.3 Ų | 83.3 | 35% | 0.353 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 163.2 | 172.1 | 64.6 | -98.6 | 0 | 0 | 0 | 109.5 | E224 W234 K235 | Y222-E224 HydrophobicContact CD2-CG 3.92Å; Y222-E224 HydrophobicContact CE2-CG 3.98Å; Y222-E224 WeakPolarHBondContact CE2-OE1 3.08Å; Y222-W234 WeakPolarHBondContact O-CA 3.21Å; Y222-K235 HydrophobicContact CD1-CB 4.04Å; Y222-K235 HydrophobicContact CD1-CD 4.46Å; Y222-K235 HydrophobicContact CE1-CB 3.62Å; Y222-K235 HydrophobicContact CE1-CD 3.5Å; Y222-K235 VanDerWaalsContact CE1-CD 3.5Å; Y222-K235 HydrophobicContact CE1-CG 4.15Å; Y222-K235 HydrophobicContact CE2-CB 4.13Å; Y222-K235 HydrophobicContact CG-CB 4.47Å; Y222-K235 PolarHBondContact O-N 2.8Å |
| 223 | K | 91.4 | Very high | 82.8 | Confident | 94 Ų | 94 | 85.5 Ų | 85.5 | 41% | 0.409 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.4 | 166.3 | 63.2 | 176.2 | -179.2 | 177.4 | 0 | 108.8 | W234 E285 | K223-W234 HydrophobicContact CB-CB 4.14Å; K223-E285 IonicContact NZ-OE1 3.5Å; K223-E285 PolarHBondContact NZ-OE1 3.37Å |
| 224 | E | 85 | Confident | 82.9 | Confident | 107 Ų | 107 | 82.8 Ų | 82.8 | 50% | 0.5 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.3 | 177.7 | -76 | 170.8 | -164.6 | 0 | 0 | 109 | Y222 V233 | Y222-E224 HydrophobicContact CD2-CG 3.92Å; Y222-E224 HydrophobicContact CE2-CG 3.98Å; Y222-E224 WeakPolarHBondContact CE2-OE1 3.08Å; E224-V233 PolarHBondContact N-O 3.03Å; E224-V233 PolarHBondContact O-N 3.19Å |
| 225 | C | 69.8 | Low | 82.9 | Confident | 94 Ų | 94 | 86.4 Ų | 86.4 | 64% | 0.635 | 44% | 0.443 | S | S | * | . | trans | -96.1 | 104.1 | 163.8 | -69.7 | 0 | 0 | 0 | 0 | 107.2 | E227 | C225-E227 PolarHBondContact O-N 3.1Š| ||
| 226 | S | 60.3 | Low | 82.8 | Confident | 55 Ų | 55 | 91.1 Ų | 91.1 | 39% | 0.385 | 46% | 0.463 | S | S | . | . | trans | -68.3 | 122.7 | 171.9 | 51.7 | 0 | 0 | 0 | 0 | 109.6 | G228 S229 | S226-G228 PolarHBondContact O-N 2.81Å; S226-G228 VanDerWaalsContact O-N 3.1Å; S226-S229 PolarHBondContact O-N 3.44Å; S226-S229 WeakPolarHBondContact OG-CB 3.3Å; S226-S229 PolarHBondContact OG-OG 3Å | ||
| 227 | E | 54.6 | Low | 82.8 | Confident | 204 Ų | 204 | 94.7 Ų | 94.7 | 95% | 0.953 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 117.8 | 171.6 | -71.8 | -175.6 | 161.9 | 0 | 0 | 109.9 | C225 | C225-E227 PolarHBondContact O-N 3.1Š|
| 228 | G | 58.7 | Low | 82.7 | Confident | 93 Ų | 93 | 93.5 Ų | 93.5 | 96% | 0.959 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -7.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | S226 | S226-G228 PolarHBondContact O-N 2.81Å; S226-G228 VanDerWaalsContact O-N 3.1Å |
| 229 | S | 58.4 | Low | 82.5 | Confident | 58 Ų | 58 | 98.5 Ų | 98.5 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | trans | -106.3 | 131.8 | 173.2 | 124.2 | 0 | 0 | 0 | 0 | 110.7 | S226 Q231 | S226-S229 PolarHBondContact O-N 3.44Å; S226-S229 WeakPolarHBondContact OG-CB 3.3Å; S226-S229 PolarHBondContact OG-OG 3Å; S229-Q231 PolarHBondContact O-N 3.2Å; S229-Q231 PolarHBondContact OG-N 3.09Å; S229-Q231 PolarHBondContact OG-O 3.29Å | ||
| 230 | K | 66.7 | Low | 82.4 | Confident | 217 Ų | 217 | 99.6 Ų | 99.6 | 94% | 0.943 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -74.6 | -1.7 | 174.5 | -68.4 | -170.6 | 178.2 | -175.5 | 0 | 113.1 | ||
| 231 | Q | 75.5 | Confident | 82.2 | Confident | 153 Ų | 153 | 101 Ų | 101 | 72% | 0.715 | 53% | 0.528 | S | S | * | . | trans | -97.1 | 118.7 | -175.9 | -72 | -174 | -10.8 | 0 | 0 | 110.3 | S229 | S229-Q231 PolarHBondContact O-N 3.2Å; S229-Q231 PolarHBondContact OG-N 3.09Å; S229-Q231 PolarHBondContact OG-O 3.29Å | ||
| 232 | V | 83 | Confident | 82.1 | Confident | 51 Ų | 51 | 104 Ų | 104 | 31% | 0.309 | 54% | 0.541 | S | S | . | . | trans | -79.1 | 126.7 | 176.4 | 173.7 | 0 | 0 | 0 | 0 | 108.8 | N288 G289 | V232-N288 WeakPolarHBondContact CG1-O 3.45Å; V232-G289 WeakPolarHBondContact CG2-O 3.35Å | ||
| 233 | V | 86.8 | Confident | 82.2 | Confident | 81 Ų | 81 | 101.3 Ų | 101.3 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.3 | 172.8 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | E224 | E224-V233 PolarHBondContact N-O 3.03Å; E224-V233 PolarHBondContact O-N 3.19Å |
| 234 | W | 92.8 | Very high | 82.4 | Confident | 76 Ų | 76 | 98.2 Ų | 98.2 | 29% | 0.288 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 152.8 | 174.5 | 71.9 | -86.8 | 0 | 0 | 0 | 110.7 | V215 I220 Y222 K223 K236 N288 | V215-W234 HydrophobicContact CB-CH2 4.42Å; V215-W234 HydrophobicContact CG1-CH2 3.7Å; V215-W234 HydrophobicContact CG1-CZ2 4.28Å; V215-W234 HydrophobicContact CG1-CZ3 3.86Å; V215-W234 HydrophobicContact CG2-CH2 3.94Å; V215-W234 HydrophobicContact CG2-CZ2 3.8Å; I220-W234 HydrophobicContact CG1-CE3 4.22Å; I220-W234 HydrophobicContact CG1-CZ3 4.39Å; Y222-W234 WeakPolarHBondContact O-CA 3.21Å; K223-W234 HydrophobicContact CB-CB 4.14Å; W234-K236 HydrophobicContact CH2-CB 4.3Å; W234-K236 HydrophobicContact CZ3-CB 3.77Å; W234-K236 HydrophobicContact CZ3-CG 4.34Å; W234-N288 HydrophobicContact CB-CB 4.41Å; W234-N288 WeakPolarHBondContact CB-O 3.35Å; W234-N288 HydrophobicContact CD2-CB 3.82Å; W234-N288 HydrophobicContact CE3-CB 4.33Å; W234-N288 HydrophobicContact CG-CB 3.82Å |
| 235 | K | 94.2 | Very high | 83 | Confident | 98 Ų | 98 | 99 Ų | 99 | 43% | 0.426 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.6 | -179.8 | -168.1 | 170.6 | -172.5 | 166.1 | 0 | 110.8 | K221 Y222 | K221-K235 HydrophobicContact CB-CB 4.5Å; K221-K235 VanDerWaalsContact CB-O 3.31Å; K221-K235 WeakPolarHBondContact CB-O 3.32Å; K221-K235 HydrophobicContact CD-CD 4.5Å; K221-K235 PolarHBondContact N-O 3.14Å; Y222-K235 HydrophobicContact CD1-CB 4.04Å; Y222-K235 HydrophobicContact CD1-CD 4.46Å; Y222-K235 HydrophobicContact CE1-CB 3.62Å; Y222-K235 HydrophobicContact CE1-CD 3.5Å; Y222-K235 VanDerWaalsContact CE1-CD 3.5Å; Y222-K235 HydrophobicContact CE1-CG 4.15Å; Y222-K235 HydrophobicContact CE2-CB 4.13Å; Y222-K235 HydrophobicContact CG-CB 4.47Å; Y222-K235 PolarHBondContact O-N 2.8Å |
| 236 | K | 94.4 | Very high | 84.3 | Confident | 112 Ų | 112 | 96.3 Ų | 96.3 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 141.3 | 173.7 | -169.1 | 173.5 | 174.6 | 172.7 | 0 | 111 | M219 W234 | M219-K236 HydrophobicContact CE-CD 4.24Å; M219-K236 VanDerWaalsContact CE-CE 3.44Å; M219-K236 CarbonylContact O-C 3.55Å; M219-K236 WeakPolarHBondContact O-CA 3.49Å; M219-K236 WeakPolarHBondContact O-CG 3.5Å; W234-K236 HydrophobicContact CH2-CB 4.3Å; W234-K236 HydrophobicContact CZ3-CB 3.77Å; W234-K236 HydrophobicContact CZ3-CG 4.34Å |
| 237 | K | 95.4 | Very high | 86.1 | Confident | 76 Ų | 76 | 93.8 Ų | 93.8 | 33% | 0.33 | 49% | 0.491 | S | S | . | . | trans | -64.3 | 134.6 | 168.3 | -72.4 | -176.9 | 177.9 | 163.6 | 0 | 109.8 | M219 I220 K221 L240 | M219-K237 PolarHBondContact O-N 3.29Å; I220-K237 WeakPolarHBondContact O-CE 3.44Å; K221-K237 HydrophobicContact CB-CG 3.74Å; K221-K237 HydrophobicContact CG-CG 4.32Å; K237-L240 HydrophobicContact CB-CD1 3.85Å; K237-L240 HydrophobicContact CB-CD2 4.24Å; K237-L240 HydrophobicContact CB-CG 3.73Å; K237-L240 HydrophobicContact CD-CD2 3.97Å; K237-L240 HydrophobicContact CD-CG 4.4Å | ||
| 238 | T | 93.2 | Very high | 88.1 | Confident | 124 Ų | 124 | 86.5 Ų | 86.5 | 76% | 0.761 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -101.3 | -16.5 | -177.5 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 239 | D | 92 | Very high | 89.9 | Confident | 127 Ų | 127 | 86.1 Ų | 86.1 | 68% | 0.679 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -105.3 | 32.3 | -172.4 | 58.6 | -32.9 | 0 | 0 | 0 | 112.4 | ||
| 240 | L | 92.6 | Very high | 91.8 | Very high | 50 Ų | 50 | 84 Ų | 84 | 26% | 0.262 | 42% | 0.418 | S | S | . | . | trans | -88.3 | 140.7 | 178.7 | -69.9 | 173.9 | 0 | 0 | 0 | 111.8 | P76 Y218 K237 | P76-L240 HydrophobicContact CG-CD2 3.87Å; Y218-L240 HydrophobicContact CD2-CD1 4.06Å; Y218-L240 HydrophobicContact CD2-CD2 4.48Å; Y218-L240 HydrophobicContact CE2-CD1 4.18Å; K237-L240 HydrophobicContact CB-CD1 3.85Å; K237-L240 HydrophobicContact CB-CD2 4.24Å; K237-L240 HydrophobicContact CB-CG 3.73Å; K237-L240 HydrophobicContact CD-CD2 3.97Å; K237-L240 HydrophobicContact CD-CG 4.4Å | ||
| 241 | P | 93.6 | Very high | 93.2 | Very high | 47 Ų | 47 | 74 Ų | 74 | 31% | 0.305 | 38% | 0.375 | S | S | . | . | trans | -65.9 | 158.6 | 168.6 | 28.8 | -32.7 | 0 | 0 | 0 | 110.6 | P76 Q78 V243 | P76-P241 HydrophobicContact CB-CG 4.08Å; P76-P241 WeakPolarHBondContact O-CG 3.15Å; Q78-P241 HydrophobicContact CB-CB 4.2Å; P241-V243 PolarHBondContact O-N 3Å | ||
| 242 | K | 92.9 | Very high | 94.3 | Very high | 177 Ų | 177 | 67.4 Ų | 67.4 | 77% | 0.77 | 35% | 0.345 | S | S | * | . | trans | -69.3 | 100.1 | 174 | -172.8 | 178.7 | -179.7 | 179.8 | 0 | 110.1 | ||||
| 243 | V | 94.9 | Very high | 94.9 | Very high | 34 Ų | 34 | 67.5 Ų | 67.5 | 21% | 0.206 | 34% | 0.341 | C | S | . | . | trans | -79 | 156.8 | 178 | -60.6 | 0 | 0 | 0 | 0 | 112 | P76 Y218 P241 F247 | P76-V243 HydrophobicContact CB-CG1 3.53Å; Y218-V243 HydrophobicContact CE2-CG1 4.37Å; Y218-V243 HydrophobicContact CE2-CG2 4.18Å; P241-V243 PolarHBondContact O-N 3Å; V243-F247 HydrophobicContact CB-CB 4.4Å; V243-F247 HydrophobicContact CB-CD1 3.58Å; V243-F247 HydrophobicContact CB-CE1 4.22Å; V243-F247 HydrophobicContact CB-CG 4.22Å; V243-F247 HydrophobicContact CG1-CD1 3.66Å; V243-F247 HydrophobicContact CG1-CE1 3.78Å; V243-F247 HydrophobicContact CG1-CG 4.42Å; V243-F247 HydrophobicContact CG2-CD1 3.97Å | ||
| 244 | T | 96.8 | Very high | 95.4 | Very high | 28 Ų | 28 | 65.7 Ų | 65.7 | 17% | 0.172 | 33% | 0.327 | C | S | . | . | trans | -79.6 | 162.1 | 174.5 | 66.3 | 0 | 0 | 0 | 0 | 111.6 | M80 K81 S246 F247 H248 | M80-T244 WeakPolarHBondContact O-CB 3.2Å; M80-T244 WeakPolarHBondContact O-CG2 3.34Å; M80-T244 PolarHBondContact O-OG1 3.37Å; K81-T244 HydrophobicContact CG-CG2 4.02Å; T244-S246 VanDerWaalsContact C-N 3.33Å; T244-S246 PolarHBondContact O-N 2.88Å; T244-S246 PolarHBondContact OG1-OG 3.38Å; T244-F247 PolarHBondContact O-N 3.22Å; T244-F247 PolarHBondContact OG1-N 3.37Å; T244-H248 PolarHBondContact O-N 3.1Å; T244-H248 VanDerWaalsContact O-N 3.08Å | ||
| 245 | Q | 96.9 | Very high | 95.5 | Very high | 125 Ų | 125 | 62.4 Ų | 62.4 | 58% | 0.584 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.9 | -38.8 | 175.5 | -168.6 | 63.5 | 40.8 | 0 | 0 | 112.2 | F247 H248 N249 | Q245-F247 VanDerWaalsContact C-N 3.3Å; Q245-F247 PolarHBondContact O-N 3.39Å; Q245-H248 PolarHBondContact O-N 2.85Å; Q245-N249 PolarHBondContact NE2-OD1 3.29Å; Q245-N249 WeakPolarHBondContact O-CB 3.41Å; Q245-N249 PolarHBondContact O-N 3.21Å; Q245-N249 PolarHBondContact O-OD1 2.87Å |
| 246 | S | 97.1 | Very high | 95.7 | Very high | 37 Ų | 37 | 57.8 Ų | 57.8 | 26% | 0.259 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 176.7 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | K81 I82 T244 C250 | K81-S246 WeakPolarHBondContact CA-OG 3.18Å; I82-S246 PolarHBondContact N-OG 3.13Å; T244-S246 VanDerWaalsContact C-N 3.33Å; T244-S246 PolarHBondContact O-N 2.88Å; T244-S246 PolarHBondContact OG1-OG 3.38Å; S246-C250 WeakPolarHBondContact O-CB 3.24Å; S246-C250 PolarHBondContact O-N 2.66Å |
| 247 | F | 97.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.8 | -50.4 | 174.4 | 175.8 | -88 | 0 | 0 | 0 | 111 | I73 P76 M80 I82 Y218 V243 T244 Q245 N249 C250 M251 | I73-F247 VanDerWaalsContact O-CE2 3.29Å; I73-F247 WeakPolarHBondContact O-CE2 3.43Å; P76-F247 HydrophobicContact CB-CE1 3.96Å; P76-F247 HydrophobicContact CB-CZ 3.84Å; M80-F247 HydrophobicContact CE-CD2 3.37Å; M80-F247 HydrophobicContact CE-CE2 3.57Å; I82-F247 HydrophobicContact CD1-CD2 4.27Å; I82-F247 HydrophobicContact CG1-CB 4.3Å; I82-F247 HydrophobicContact CG1-CD2 4.45Å; Y218-F247 AromaticContact CD1-CE1 3.88Å; Y218-F247 HydrophobicContact CD1-CE1 3.88Å; Y218-F247 HydrophobicContact CD1-CZ 4.5Å; Y218-F247 AromaticContact CD2-CE1 3.93Å; Y218-F247 HydrophobicContact CD2-CE1 3.93Å; Y218-F247 HydrophobicContact CE1-CD1 4.39Å; Y218-F247 AromaticContact CE1-CE1 3.86Å; Y218-F247 HydrophobicContact CE1-CE1 3.86Å; Y218-F247 AromaticContact CE2-CE1 3.93Å; Y218-F247 HydrophobicContact CE2-CE1 3.93Å; Y218-F247 AromaticContact CG-CE1 3.91Å; Y218-F247 HydrophobicContact CG-CE1 3.91Å; Y218-F247 HydrophobicContact CG-CZ 4.37Å; Y218-F247 AromaticContact CZ-CE1 3.89Å; V243-F247 HydrophobicContact CB-CB 4.4Å; V243-F247 HydrophobicContact CB-CD1 3.58Å; V243-F247 HydrophobicContact CB-CE1 4.22Å; V243-F247 HydrophobicContact CB-CG 4.22Å; V243-F247 HydrophobicContact CG1-CD1 3.66Å; V243-F247 HydrophobicContact CG1-CE1 3.78Å; V243-F247 HydrophobicContact CG1-CG 4.42Å; V243-F247 HydrophobicContact CG2-CD1 3.97Å; T244-F247 PolarHBondContact O-N 3.22Å; T244-F247 PolarHBondContact OG1-N 3.37Å; Q245-F247 VanDerWaalsContact C-N 3.3Å; Q245-F247 PolarHBondContact O-N 3.39Å; F247-N249 VanDerWaalsContact C-N 3.33Å; F247-N249 PolarHBondContact O-N 2.95Å; F247-C250 WeakPolarHBondContact O-CB 3.35Å; F247-C250 PolarHBondContact O-N 3.45Å; F247-M251 HydrophobicContact CD1-CG 4.15Å; F247-M251 HydrophobicContact CE1-CG 3.71Å; F247-M251 HydrophobicContact CE1-SD 4.49Å; F247-M251 HydrophobicContact CE2-CG 4.28Å; F247-M251 HydrophobicContact CE2-SD 4.28Å; F247-M251 HydrophobicContact CZ-CG 3.79Å; F247-M251 HydrophobicContact CZ-SD 3.97Å; F247-M251 WeakPolarHBondContact O-CG 3.46Å; F247-M251 PolarHBondContact O-N 2.92Å; F247-M251 VanDerWaalsContact O-N 3.09Å |
| 248 | H | 97.3 | Very high | 95.8 | Very high | 51 Ų | 51 | 54.5 Ų | 54.5 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 178.8 | -178.8 | 68.8 | 0 | 0 | 0 | 111.7 | Y218 T244 Q245 C250 M251 V252 | Y218-H248 AromaticContact CE1-ND1 3.91Å; Y218-H248 AromaticContact CZ-ND1 3.76Å; Y218-H248 PolarHBondContact OH-ND1 3.22Å; T244-H248 PolarHBondContact O-N 3.1Å; T244-H248 VanDerWaalsContact O-N 3.08Å; Q245-H248 PolarHBondContact O-N 2.85Å; H248-C250 VanDerWaalsContact C-N 3.32Å; H248-C250 PolarHBondContact O-N 2.86Å; H248-M251 PolarHBondContact O-N 2.96Å; H248-V252 WeakPolarHBondContact O-CB 3.03Å; H248-V252 WeakPolarHBondContact O-CG2 3.43Å; H248-V252 PolarHBondContact O-N 3.13Å |
| 249 | N | 96.9 | Very high | 96 | Very high | 85 Ų | 85 | 48.7 Ų | 48.7 | 46% | 0.455 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 177.9 | -71.3 | -0.3 | 0 | 0 | 0 | 112.3 | Q245 F247 V252 K253 | Q245-N249 PolarHBondContact NE2-OD1 3.29Å; Q245-N249 WeakPolarHBondContact O-CB 3.41Å; Q245-N249 PolarHBondContact O-N 3.21Å; Q245-N249 PolarHBondContact O-OD1 2.87Å; F247-N249 VanDerWaalsContact C-N 3.33Å; F247-N249 PolarHBondContact O-N 2.95Å; N249-V252 PolarHBondContact O-N 2.81Å; N249-K253 VanDerWaalsContact O-CB 3.27Å; N249-K253 WeakPolarHBondContact O-CB 3.36Å; N249-K253 PolarHBondContact O-N 3.15Å |
| 250 | C | 96.9 | Very high | 96.2 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 9% | 0.088 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -47.9 | 176.3 | -171.7 | 0 | 0 | 0 | 0 | 111.6 | F35 I82 S246 F247 H248 V252 K253 E254 | F35-C250 WeakPolarHBondContact CE2-SG 3.44Å; I82-C250 HydrophobicContact CB-CB 4.29Å; I82-C250 HydrophobicContact CG1-CB 3.85Å; I82-C250 HydrophobicContact CG2-CB 4.18Å; S246-C250 WeakPolarHBondContact O-CB 3.24Å; S246-C250 PolarHBondContact O-N 2.66Å; F247-C250 WeakPolarHBondContact O-CB 3.35Å; F247-C250 PolarHBondContact O-N 3.45Å; H248-C250 VanDerWaalsContact C-N 3.32Å; H248-C250 PolarHBondContact O-N 2.86Å; C250-V252 VanDerWaalsContact C-N 3.31Å; C250-V252 PolarHBondContact O-N 3.24Å; C250-K253 WeakPolarHBondContact O-CB 3.48Å; C250-K253 PolarHBondContact O-N 3.35Å; C250-E254 PolarHBondContact O-N 3.13Å |
| 251 | M | 97.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 45 Ų | 45 | 4% | 0.044 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.1 | -32.1 | -179.7 | -57.6 | -69.3 | 97 | 0 | 0 | 112.3 | H74 P216 Y218 F247 H248 A255 | H74-M251 HydrophobicContact CB-SD 4.38Å; P216-M251 HydrophobicContact CB-CB 3.7Å; P216-M251 HydrophobicContact CG-CB 4.31Å; Y218-M251 HydrophobicContact CD1-CB 3.63Å; Y218-M251 HydrophobicContact CD1-CG 3.58Å; Y218-M251 HydrophobicContact CD1-SD 4.48Å; Y218-M251 HydrophobicContact CE1-CB 3.75Å; Y218-M251 HydrophobicContact CE1-CG 3.86Å; F247-M251 HydrophobicContact CD1-CG 4.15Å; F247-M251 HydrophobicContact CE1-CG 3.71Å; F247-M251 HydrophobicContact CE1-SD 4.49Å; F247-M251 HydrophobicContact CE2-CG 4.28Å; F247-M251 HydrophobicContact CE2-SD 4.28Å; F247-M251 HydrophobicContact CZ-CG 3.79Å; F247-M251 HydrophobicContact CZ-SD 3.97Å; F247-M251 WeakPolarHBondContact O-CG 3.46Å; F247-M251 PolarHBondContact O-N 2.92Å; F247-M251 VanDerWaalsContact O-N 3.09Å; H248-M251 PolarHBondContact O-N 2.96Å; M251-A255 PolarHBondContact O-N 3.36Å |
| 252 | V | 97.5 | Very high | 96.3 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 9% | 0.085 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 171.8 | 167.6 | 0 | 0 | 0 | 0 | 110.6 | L204 V214 P216 H248 N249 C250 E254 A255 I256 | L204-V252 HydrophobicContact CD2-CG1 3.78Å; V214-V252 HydrophobicContact CB-CG1 4.29Å; V214-V252 HydrophobicContact CG1-CG1 4.05Å; P216-V252 HydrophobicContact CB-CG2 4.38Å; P216-V252 HydrophobicContact CG-CG2 4Å; H248-V252 WeakPolarHBondContact O-CB 3.03Å; H248-V252 WeakPolarHBondContact O-CG2 3.43Å; H248-V252 PolarHBondContact O-N 3.13Å; N249-V252 PolarHBondContact O-N 2.81Å; C250-V252 VanDerWaalsContact C-N 3.31Å; C250-V252 PolarHBondContact O-N 3.24Å; V252-E254 VanDerWaalsContact C-N 3.34Å; V252-E254 PolarHBondContact O-N 2.78Å; V252-A255 PolarHBondContact O-N 2.94Å; V252-I256 HydrophobicContact CG1-CD1 3.71Å; V252-I256 WeakPolarHBondContact O-CD1 3.41Å; V252-I256 WeakPolarHBondContact O-CG1 3.34Å; V252-I256 PolarHBondContact O-N 2.86Å; V252-I256 VanDerWaalsContact O-N 3.09Å |
| 253 | K | 97 | Very high | 96.5 | Very high | 52 Ų | 52 | 38.4 Ų | 38.4 | 23% | 0.226 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.8 | -47.4 | 176.1 | 168.1 | 169.8 | -178.2 | 175.6 | 0 | 111.2 | D197 T200 N249 C250 A255 I256 E257 | D197-K253 WeakPolarHBondContact OD1-CE 3.21Å; D197-K253 IonicContact OD1-NZ 3.7Å; D197-K253 PolarHBondContact OD1-NZ 3.35Å; D197-K253 IonicContact OD2-NZ 3.83Å; D197-K253 PolarHBondContact OD2-NZ 2.76Å; D197-K253 VanDerWaalsContact OD2-NZ 3.15Å; T200-K253 HydrophobicContact CG2-CB 4.49Å; T200-K253 HydrophobicContact CG2-CG 4.12Å; N249-K253 VanDerWaalsContact O-CB 3.27Å; N249-K253 WeakPolarHBondContact O-CB 3.36Å; N249-K253 PolarHBondContact O-N 3.15Å; C250-K253 WeakPolarHBondContact O-CB 3.48Å; C250-K253 PolarHBondContact O-N 3.35Å; K253-A255 PolarHBondContact O-N 2.98Å; K253-I256 CarbonylContact O-C 3.55Å; K253-I256 PolarHBondContact O-N 3.46Å; K253-I256 VanDerWaalsContact O-N 3.1Å; K253-E257 WeakPolarHBondContact CE-OE1 3.25Å; K253-E257 HydrophobicContact CG-CG 4.31Å; K253-E257 IonicContact NZ-OE1 2.78Å; K253-E257 WeakPolarHBondContact O-CG 3.49Å; K253-E257 PolarHBondContact O-N 2.97Å |
| 254 | E | 95.9 | Very high | 96.6 | Very high | 44 Ų | 44 | 37.2 Ų | 37.2 | 21% | 0.206 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 177.5 | -73.2 | 172.8 | -175.9 | 0 | 0 | 113 | H74 C250 V252 I256 E257 D258 | H74-E254 IonicContact CD2-OE2 3.15Å; H74-E254 PolarHBondContact CD2-OE2 3.45Å; H74-E254 VanDerWaalsContact CD2-OE2 3.29Å; H74-E254 IonicContact CE1-OE1 3.9Å; H74-E254 PolarHBondContact CE1-OE1 2.9Å; H74-E254 IonicContact CE1-OE2 3.13Å; H74-E254 IonicContact NE2-OE1 2.66Å; H74-E254 PolarHBondContact NE2-OE1 3.32Å; H74-E254 IonicContact NE2-OE2 2.68Å; H74-E254 PolarHBondContact NE2-OE2 3.07Å; C250-E254 PolarHBondContact O-N 3.13Å; V252-E254 VanDerWaalsContact C-N 3.34Å; V252-E254 PolarHBondContact O-N 2.78Å; E254-I256 PolarHBondContact O-N 3.45Å; E254-E257 PolarHBondContact O-N 3.19Å; E254-D258 PolarHBondContact O-N 3.46Å; E254-D258 VanDerWaalsContact O-N 3.09Å |
| 255 | A | 96.6 | Very high | 96.6 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -33.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V214 M251 V252 K253 M259 Y284 P287 | V214-A255 HydrophobicContact CG1-CB 3.98Å; M251-A255 PolarHBondContact O-N 3.36Å; V252-A255 PolarHBondContact O-N 2.94Å; K253-A255 PolarHBondContact O-N 2.98Å; A255-M259 PolarHBondContact O-N 2.87Å; A255-M259 VanDerWaalsContact O-N 3.17Å; A255-Y284 PolarHBondContact O-OH 3.26Å; A255-P287 HydrophobicContact CB-CG 4.26Å |
| 256 | I | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -78.7 | -34.7 | 177.2 | -69 | 157.7 | 0 | 0 | 0 | 111.5 | T200 C203 L204 L207 V214 V252 K253 E254 D258 M259 K260 | T200-I256 HydrophobicContact CG2-CB 4.24Å; T200-I256 HydrophobicContact CG2-CG2 3.8Å; C203-I256 HydrophobicContact CB-CG2 3.56Å; L204-I256 HydrophobicContact CD1-CD1 4.28Å; L204-I256 HydrophobicContact CD2-CD1 3.16Å; L204-I256 HydrophobicContact CG-CD1 3.46Å; L204-I256 VanDerWaalsContact CG-CD1 3.46Å; L207-I256 HydrophobicContact CD1-CG1 4.4Å; V214-I256 HydrophobicContact CG1-CD1 4.47Å; V214-I256 HydrophobicContact CG1-CG1 4.25Å; V214-I256 HydrophobicContact CG2-CD1 4.37Å; V214-I256 HydrophobicContact CG2-CG1 4.35Å; V252-I256 HydrophobicContact CG1-CD1 3.71Å; V252-I256 WeakPolarHBondContact O-CD1 3.41Å; V252-I256 WeakPolarHBondContact O-CG1 3.34Å; V252-I256 PolarHBondContact O-N 2.86Å; V252-I256 VanDerWaalsContact O-N 3.09Å; K253-I256 CarbonylContact O-C 3.55Å; K253-I256 PolarHBondContact O-N 3.46Å; K253-I256 VanDerWaalsContact O-N 3.1Å; E254-I256 PolarHBondContact O-N 3.45Å; I256-D258 VanDerWaalsContact C-N 3.29Å; I256-D258 PolarHBondContact O-N 3.11Å; I256-M259 HydrophobicContact CG2-CE 4.31Å; I256-M259 WeakPolarHBondContact O-CB 3.14Å; I256-M259 PolarHBondContact O-N 3.24Å; I256-K260 HydrophobicContact CG2-CD 3.92Å; I256-K260 HydrophobicContact CG2-CG 4.09Å; I256-K260 WeakPolarHBondContact O-CB 3.43Å; I256-K260 WeakPolarHBondContact O-CG 3.45Å; I256-K260 PolarHBondContact O-N 3.46Å |
| 257 | E | 96.4 | Very high | 96.6 | Very high | 44 Ų | 44 | 31 Ų | 31 | 21% | 0.206 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 174.4 | -75.1 | 171 | 161.8 | 0 | 0 | 111.4 | H16 K253 E254 K260 A261 | H16-E257 IonicContact CE1-OE1 3.35Å; H16-E257 PolarHBondContact CE1-OE1 2.88Å; H16-E257 VanDerWaalsContact CE1-OE1 3.25Å; H16-E257 IonicContact CE1-OE2 3.61Å; H16-E257 PolarHBondContact CE1-OE2 3.03Å; H16-E257 IonicContact ND1-OE1 3.7Å; K253-E257 WeakPolarHBondContact CE-OE1 3.25Å; K253-E257 HydrophobicContact CG-CG 4.31Å; K253-E257 IonicContact NZ-OE1 2.78Å; K253-E257 WeakPolarHBondContact O-CG 3.49Å; K253-E257 PolarHBondContact O-N 2.97Å; E254-E257 PolarHBondContact O-N 3.19Å; E257-K260 PolarHBondContact O-N 3.06Å; E257-A261 PolarHBondContact O-N 3.33Å |
| 258 | D | 96.3 | Very high | 96.5 | Very high | 76 Ų | 76 | 34.8 Ų | 34.8 | 41% | 0.406 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62 | -50.3 | 171.6 | -173.5 | 70.5 | 0 | 0 | 0 | 111.6 | E254 I256 K260 A261 C262 Y284 | E254-D258 PolarHBondContact O-N 3.46Å; E254-D258 VanDerWaalsContact O-N 3.09Å; I256-D258 VanDerWaalsContact C-N 3.29Å; I256-D258 PolarHBondContact O-N 3.11Å; D258-K260 VanDerWaalsContact C-N 3.28Å; D258-K260 PolarHBondContact O-N 3.35Å; D258-A261 PolarHBondContact O-N 3.22Å; D258-C262 PolarHBondContact O-N 3.01Å; D258-C262 VanDerWaalsContact O-N 3.14Å; D258-C262 PolarHBondContact O-SG 2.72Å; D258-Y284 WeakPolarHBondContact OD2-CE2 3.36Å; D258-Y284 PolarHBondContact OD2-OH 2.94Å |
| 259 | M | 96.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55 | -44.1 | 173.7 | -175.6 | -149.1 | 73.8 | 0 | 0 | 112 | C203 L207 A255 I256 C262 A263 Y284 F286 F294 | C203-M259 HydrophobicContact CB-CE 3.79Å; C203-M259 VanDerWaalsContact SG-CE 3.52Å; L207-M259 HydrophobicContact CD1-SD 4.02Å; L207-M259 HydrophobicContact CD2-SD 4.47Å; A255-M259 PolarHBondContact O-N 2.87Å; A255-M259 VanDerWaalsContact O-N 3.17Å; I256-M259 HydrophobicContact CG2-CE 4.31Å; I256-M259 WeakPolarHBondContact O-CB 3.14Å; I256-M259 PolarHBondContact O-N 3.24Å; M259-C262 PolarHBondContact O-N 3.21Å; M259-A263 HydrophobicContact CG-CB 4.49Å; M259-A263 VanDerWaalsContact O-CB 3.26Å; M259-A263 WeakPolarHBondContact O-CB 3.4Å; M259-A263 PolarHBondContact O-N 3.28Å; M259-Y284 VanDerWaalsContact CA-CE2 3.46Å; M259-Y284 VanDerWaalsContact CA-CZ 3.49Å; M259-Y284 HydrophobicContact CB-CD1 3.88Å; M259-Y284 HydrophobicContact CB-CD2 4.38Å; M259-Y284 HydrophobicContact CB-CE1 3.53Å; M259-Y284 HydrophobicContact CB-CE2 4.1Å; M259-Y284 HydrophobicContact CB-CG 4.28Å; M259-Y284 HydrophobicContact CG-CD1 3.56Å; M259-Y284 HydrophobicContact CG-CD2 4.4Å; M259-Y284 HydrophobicContact CG-CE1 3.76Å; M259-Y284 HydrophobicContact CG-CG 3.9Å; M259-Y284 PolarHBondContact N-OH 3.42Å; M259-F286 HydrophobicContact CB-CE1 4.5Å; M259-F286 HydrophobicContact CG-CZ 4.22Å; M259-F286 HydrophobicContact SD-CE1 4.29Å; M259-F286 HydrophobicContact SD-CZ 3.75Å; M259-F294 HydrophobicContact CG-CE2 4.16Å; M259-F294 HydrophobicContact CG-CZ 4.01Å; M259-F294 HydrophobicContact SD-CE1 3.93Å; M259-F294 HydrophobicContact SD-CE2 4.13Å; M259-F294 HydrophobicContact SD-CZ 3.38Å; M259-F294 WeakPolarHBondContact SD-CZ 3.48Å |
| 260 | K | 96 | Very high | 96.3 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -45 | -179.6 | -77.3 | 171.9 | 47.2 | -177.8 | 0 | 111.8 | G196 I199 T200 C203 I256 E257 D258 C262 L264 | G196-K260 PolarHBondContact O-NZ 2.92Å; I199-K260 HydrophobicContact CG2-CD 3.86Å; I199-K260 HydrophobicContact CG2-CG 4.33Å; T200-K260 PolarHBondContact OG1-NZ 3.08Å; C203-K260 VanDerWaalsContact SG-CG 3.56Å; I256-K260 HydrophobicContact CG2-CD 3.92Å; I256-K260 HydrophobicContact CG2-CG 4.09Å; I256-K260 WeakPolarHBondContact O-CB 3.43Å; I256-K260 WeakPolarHBondContact O-CG 3.45Å; I256-K260 PolarHBondContact O-N 3.46Å; E257-K260 PolarHBondContact O-N 3.06Å; D258-K260 VanDerWaalsContact C-N 3.28Å; D258-K260 PolarHBondContact O-N 3.35Å; K260-C262 PolarHBondContact O-N 3.08Å; K260-L264 HydrophobicContact CB-CD1 4.11Å; K260-L264 HydrophobicContact CB-CG 4.3Å; K260-L264 HydrophobicContact CD-CD1 4.43Å; K260-L264 HydrophobicContact CG-CD1 3.66Å; K260-L264 HydrophobicContact CG-CG 4.15Å; K260-L264 WeakPolarHBondContact O-CB 3.43Å; K260-L264 PolarHBondContact O-N 2.94Å; K260-L264 VanDerWaalsContact O-N 3.13Å |
| 261 | A | 94.3 | Very high | 96.2 | Very high | 85 Ų | 85 | 33.2 Ų | 33.2 | 70% | 0.702 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -63.3 | -31.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E257 D258 | E257-A261 PolarHBondContact O-N 3.33Å; D258-A261 PolarHBondContact O-N 3.22Å |
| 262 | C | 95.1 | Very high | 96.1 | Very high | 82 Ų | 82 | 38.7 Ų | 38.7 | 55% | 0.554 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -88.4 | -37.3 | 179.8 | -67.7 | 0 | 0 | 0 | 0 | 114.6 | D258 M259 K260 Y284 | D258-C262 PolarHBondContact O-N 3.01Å; D258-C262 VanDerWaalsContact O-N 3.14Å; D258-C262 PolarHBondContact O-SG 2.72Å; M259-C262 PolarHBondContact O-N 3.21Å; K260-C262 PolarHBondContact O-N 3.08Å; C262-Y284 HydrophobicContact CB-CD2 3.81Å; C262-Y284 HydrophobicContact CB-CE2 4.23Å |
| 263 | A | 95.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -112.9 | -29.5 | -164.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | M259 V282 F294 R298 | M259-A263 HydrophobicContact CG-CB 4.49Å; M259-A263 VanDerWaalsContact O-CB 3.26Å; M259-A263 WeakPolarHBondContact O-CB 3.4Å; M259-A263 PolarHBondContact O-N 3.28Å; A263-V282 HydrophobicContact CB-CG1 4.25Å; A263-F294 HydrophobicContact CB-CD2 3.97Å; A263-F294 HydrophobicContact CB-CE2 4.43Å; A263-F294 HydrophobicContact CB-CG 4.33Å; A263-R298 WeakPolarHBondContact O-CB 3.38Å; A263-R298 VanDerWaalsContact O-CD 3.27Å; A263-R298 WeakPolarHBondContact O-CD 3.38Å |
| 264 | L | 97.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | trans | -77.7 | 148.5 | -177.2 | -67.7 | -167.1 | 0 | 0 | 0 | 112.4 | I199 K260 R298 I301 T302 L355 | I199-L264 HydrophobicContact CG2-CD1 3.31Å; K260-L264 HydrophobicContact CB-CD1 4.11Å; K260-L264 HydrophobicContact CB-CG 4.3Å; K260-L264 HydrophobicContact CD-CD1 4.43Å; K260-L264 HydrophobicContact CG-CD1 3.66Å; K260-L264 HydrophobicContact CG-CG 4.15Å; K260-L264 WeakPolarHBondContact O-CB 3.43Å; K260-L264 PolarHBondContact O-N 2.94Å; K260-L264 VanDerWaalsContact O-N 3.13Å; L264-R298 HydrophobicContact CD2-CB 4.1Å; L264-I301 HydrophobicContact CD1-CG2 3.97Å; L264-I301 HydrophobicContact CD2-CB 4.29Å; L264-I301 HydrophobicContact CD2-CD1 4.2Å; L264-I301 HydrophobicContact CD2-CG2 4.34Å; L264-T302 HydrophobicContact CB-CG2 3.86Å; L264-T302 HydrophobicContact CD1-CG2 3.83Å; L264-T302 HydrophobicContact CG-CG2 4.33Å; L264-L355 HydrophobicContact CB-CD2 4.04Å | ||
| 265 | Q | 97.1 | Very high | 95.6 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 23% | 0.229 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -146.3 | 137.3 | 178.4 | -171.9 | 178.9 | -10.5 | 0 | 0 | 109 | R298 F299 T302 | Q265-R298 HydrophobicContact CB-CG 4.4Å; Q265-R298 PolarHBondContact N-O 2.88Å; Q265-F299 HydrophobicContact CB-CD1 4.11Å; Q265-F299 HydrophobicContact CB-CE1 3.71Å; Q265-F299 HydrophobicContact CB-CZ 4.12Å; Q265-F299 HydrophobicContact CG-CD1 4.23Å; Q265-F299 HydrophobicContact CG-CE1 3.52Å; Q265-F299 HydrophobicContact CG-CZ 4.1Å; Q265-F299 WeakPolarHBondContact O-CA 3.44Å; Q265-F299 WeakPolarHBondContact O-CD1 3.45Å; Q265-F299 VanDerWaalsContact OE1-CZ 3.24Å; Q265-T302 PolarHBondContact O-OG1 2.95Å |
| 266 | V | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -84.6 | 138.5 | 168.8 | 179 | 0 | 0 | 0 | 0 | 107.9 | T302 F306 L355 S356 F358 R361 | V266-T302 HydrophobicContact CG2-CG2 4.36Å; V266-F306 HydrophobicContact CG1-CD2 4Å; V266-F306 HydrophobicContact CG1-CE2 3.47Å; V266-F306 VanDerWaalsContact CG1-CE2 3.47Å; V266-F306 HydrophobicContact CG1-CZ 4.16Å; V266-F306 HydrophobicContact CG2-CE2 4.19Å; V266-L355 HydrophobicContact CG2-CB 4.08Å; V266-L355 HydrophobicContact CG2-CD1 4.39Å; V266-S356 PolarHBondContact N-O 3.26Å; V266-F358 HydrophobicContact CG2-CB 4.25Å; V266-F358 HydrophobicContact CG2-CD2 4.39Å; V266-R361 HydrophobicContact CG1-CB 3.49Å; V266-R361 VanDerWaalsContact CG1-CB 3.49Å; V266-R361 HydrophobicContact CG1-CG 3.77Å | ||
| 267 | S | 96.5 | Very high | 95.4 | Very high | 11 Ų | 11 | 50.9 Ų | 50.9 | 8% | 0.077 | 28% | 0.284 | C | S | . | . | trans | -72.3 | 130.5 | 172.5 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | T269 R361 | S267-T269 CarbonylContact C-O 3.58Å; S267-T269 WeakPolarHBondContact CB-O 3.46Å; S267-T269 PolarHBondContact O-N 2.93Å; S267-T269 VanDerWaalsContact O-N 3.1Å; S267-T269 VanDerWaalsContact O-O 3.08Å; S267-T269 PolarHBondContact OG-O 3.43Å; S267-R361 VanDerWaalsContact O-CB 3.27Å; S267-R361 WeakPolarHBondContact O-CB 3.27Å; S267-R361 WeakPolarHBondContact O-CD 3.47Å; S267-R361 WeakPolarHBondContact O-CG 3.46Å | ||
| 268 | D | 94.6 | Very high | 95.4 | Very high | 80 Ų | 80 | 56.7 Ų | 56.7 | 43% | 0.428 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -61.2 | -19.8 | -178.9 | -58.8 | -15.6 | 0 | 0 | 0 | 113 | G357 E360 R361 Y364 | D268-G357 WeakPolarHBondContact OD1-CA 3.44Å; D268-E360 HydrophobicContact CB-CB 3.99Å; D268-R361 WeakPolarHBondContact O-CA 3.35Å; D268-Y364 VanDerWaalsContact O-CB 3.28Å; D268-Y364 WeakPolarHBondContact O-CB 3.37Å |
| 269 | T | 94.9 | Very high | 95.3 | Very high | 51 Ų | 51 | 58 Ų | 58 | 31% | 0.313 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -123.7 | -177.6 | 174.5 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | S267 L271 R361 Y364 | S267-T269 CarbonylContact C-O 3.58Å; S267-T269 WeakPolarHBondContact CB-O 3.46Å; S267-T269 PolarHBondContact O-N 2.93Å; S267-T269 VanDerWaalsContact O-N 3.1Å; S267-T269 VanDerWaalsContact O-O 3.08Å; S267-T269 PolarHBondContact OG-O 3.43Å; T269-L271 PolarHBondContact O-N 3.26Å; T269-R361 PolarHBondContact O-NH1 3.41Å; T269-Y364 HydrophobicContact CG2-CD2 3.81Å; T269-Y364 HydrophobicContact CG2-CE2 3.77Å; T269-Y364 HydrophobicContact CG2-CG 4.35Å |
| 270 | A | 95 | Very high | 95.3 | Very high | 44 Ų | 44 | 62.8 Ų | 62.8 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -53.6 | 137.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | E272 Y364 | A270-E272 PolarHBondContact O-N 3Å; A270-Y364 HydrophobicContact CB-CE1 4.29Å |
| 271 | L | 96 | Very high | 95.3 | Very high | 21 Ų | 21 | 68.7 Ų | 68.7 | 11% | 0.11 | 36% | 0.362 | C | S | . | . | trans | -69.1 | 115.9 | -172.6 | -179.4 | 65 | 0 | 0 | 0 | 111.8 | T269 V276 F299 E300 E303 F310 | T269-L271 PolarHBondContact O-N 3.26Å; L271-V276 HydrophobicContact CD1-CB 4.29Å; L271-V276 HydrophobicContact CD1-CG1 3.54Å; L271-V276 HydrophobicContact CD1-CG2 3.78Å; L271-F299 HydrophobicContact CD1-CB 3.73Å; L271-F299 HydrophobicContact CD1-CG 4.49Å; L271-F299 HydrophobicContact CD2-CB 4.47Å; L271-E300 HydrophobicContact CD2-CB 4.48Å; L271-E300 HydrophobicContact CD2-CG 3.94Å; L271-E303 HydrophobicContact CB-CB 4.48Å; L271-E303 HydrophobicContact CB-CG 3.78Å; L271-E303 WeakPolarHBondContact CB-OE2 3.45Å; L271-E303 HydrophobicContact CD2-CB 3.85Å; L271-E303 HydrophobicContact CD2-CG 3.86Å; L271-E303 HydrophobicContact CG-CG 4.47Å; L271-F310 HydrophobicContact CD2-CD1 4.44Å; L271-F310 HydrophobicContact CD2-CE1 3.68Å; L271-F310 HydrophobicContact CD2-CZ 3.89Å | ||
| 272 | E | 95.4 | Very high | 95.4 | Very high | 124 Ų | 124 | 66.9 Ų | 66.9 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | trans | -99.8 | 101.8 | 167.2 | -67.6 | 179 | -161.9 | 0 | 0 | 109.2 | A270 E274 L275 V276 | A270-E272 PolarHBondContact O-N 3Å; E272-E274 VanDerWaalsContact C-N 3.27Å; E272-E274 PolarHBondContact O-N 3.15Å; E272-L275 HydrophobicContact CB-CB 3.89Å; E272-L275 WeakPolarHBondContact O-CB 3.49Å; E272-L275 PolarHBondContact O-N 3.15Å; E272-V276 PolarHBondContact O-N 2.96Å; E272-V276 VanDerWaalsContact O-N 3.16Å | ||
| 273 | T | 91.8 | Very high | 95.4 | Very high | 46 Ų | 46 | 68.2 Ų | 68.2 | 28% | 0.282 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -53.9 | -42.1 | -175 | -51.9 | 0 | 0 | 0 | 0 | 112.6 | L275 V276 E277 K296 | T273-L275 VanDerWaalsContact C-N 3.25Å; T273-L275 PolarHBondContact O-N 3.19Å; T273-V276 VanDerWaalsContact O-CG2 3.28Å; T273-V276 WeakPolarHBondContact O-CG2 3.45Å; T273-V276 PolarHBondContact O-N 3.02Å; T273-E277 WeakPolarHBondContact O-CB 3.38Å; T273-E277 VanDerWaalsContact O-CG 3.3Å; T273-E277 WeakPolarHBondContact O-CG 3.31Å; T273-E277 PolarHBondContact O-N 2.68Å; T273-K296 HydrophobicContact CG2-CD 3.89Å |
| 274 | E | 94 | Very high | 95.4 | Very high | 152 Ų | 152 | 68.8 Ų | 68.8 | 71% | 0.71 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.9 | -27.1 | 178.7 | -61.2 | -176.5 | -178.7 | 0 | 0 | 113.4 | E272 K278 | E272-E274 VanDerWaalsContact C-N 3.27Å; E272-E274 PolarHBondContact O-N 3.15Å; E274-K278 WeakPolarHBondContact O-CE 3.24Å |
| 275 | L | 94.1 | Very high | 95.2 | Very high | 64 Ų | 64 | 72.3 Ų | 72.3 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -77.4 | -49.8 | 177.2 | 179.7 | 62.8 | 0 | 0 | 0 | 110.4 | E272 T273 E277 K278 Y279 | E272-L275 HydrophobicContact CB-CB 3.89Å; E272-L275 WeakPolarHBondContact O-CB 3.49Å; E272-L275 PolarHBondContact O-N 3.15Å; T273-L275 VanDerWaalsContact C-N 3.25Å; T273-L275 PolarHBondContact O-N 3.19Å; L275-E277 PolarHBondContact O-N 3.13Å; L275-K278 WeakPolarHBondContact O-CB 3.48Å; L275-K278 PolarHBondContact O-N 2.83Å; L275-K278 VanDerWaalsContact O-N 3.08Å; L275-Y279 HydrophobicContact CG-CE1 4.5Å |
| 276 | V | 94.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.6 | -22.9 | -178 | -63.1 | 0 | 0 | 0 | 0 | 113 | L271 E272 T273 K278 Y279 K296 F299 | L271-V276 HydrophobicContact CD1-CB 4.29Å; L271-V276 HydrophobicContact CD1-CG1 3.54Å; L271-V276 HydrophobicContact CD1-CG2 3.78Å; E272-V276 PolarHBondContact O-N 2.96Å; E272-V276 VanDerWaalsContact O-N 3.16Å; T273-V276 VanDerWaalsContact O-CG2 3.28Å; T273-V276 WeakPolarHBondContact O-CG2 3.45Å; T273-V276 PolarHBondContact O-N 3.02Å; V276-K278 PolarHBondContact O-N 3.1Å; V276-Y279 HydrophobicContact CG1-CD2 4.43Å; V276-Y279 HydrophobicContact CG1-CE2 4.4Å; V276-Y279 WeakPolarHBondContact O-CB 3.39Å; V276-Y279 PolarHBondContact O-N 2.71Å; V276-Y279 VanDerWaalsContact O-N 3.13Å; V276-K296 HydrophobicContact CG2-CB 3.79Å; V276-F299 HydrophobicContact CB-CD2 3.8Å; V276-F299 HydrophobicContact CB-CE2 4.12Å; V276-F299 HydrophobicContact CB-CG 4.26Å; V276-F299 HydrophobicContact CG1-CB 4.4Å; V276-F299 HydrophobicContact CG1-CD1 4.26Å; V276-F299 HydrophobicContact CG1-CD2 3.95Å; V276-F299 HydrophobicContact CG1-CE2 4.24Å; V276-F299 HydrophobicContact CG1-CG 3.96Å; V276-F299 HydrophobicContact CG2-CD2 4.41Å |
| 277 | E | 94.9 | Very high | 95 | Very high | 109 Ų | 109 | 71 Ų | 71 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26 | 170.5 | -85.3 | 179.1 | 175.4 | 0 | 0 | 113.4 | T273 L275 Y279 K296 | T273-E277 WeakPolarHBondContact O-CB 3.38Å; T273-E277 VanDerWaalsContact O-CG 3.3Å; T273-E277 WeakPolarHBondContact O-CG 3.31Å; T273-E277 PolarHBondContact O-N 2.68Å; L275-E277 PolarHBondContact O-N 3.13Å; E277-Y279 VanDerWaalsContact C-N 3.34Å; E277-K296 HydrophobicContact CG-CB 4.17Å; E277-K296 HydrophobicContact CG-CD 3.5Å; E277-K296 VanDerWaalsContact CG-CD 3.5Å; E277-K296 HydrophobicContact CG-CG 4.38Å; E277-K296 VanDerWaalsContact OE1-CD 3.29Å; E277-K296 WeakPolarHBondContact OE1-CD 3.25Å; E277-K296 WeakPolarHBondContact OE1-CE 3.37Å; E277-K296 IonicContact OE1-NZ 2.71Å; E277-K296 PolarHBondContact OE1-NZ 2.78Å |
| 278 | K | 95.6 | Very high | 94.8 | Very high | 166 Ų | 166 | 70.5 Ų | 70.5 | 72% | 0.722 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -11.7 | 178.6 | -60.2 | 170.5 | -171.8 | 166.7 | 0 | 112.6 | E274 L275 V276 | E274-K278 WeakPolarHBondContact O-CE 3.24Å; L275-K278 WeakPolarHBondContact O-CB 3.48Å; L275-K278 PolarHBondContact O-N 2.83Å; L275-K278 VanDerWaalsContact O-N 3.08Å; V276-K278 PolarHBondContact O-N 3.1Å |
| 279 | Y | 95 | Very high | 94.6 | Very high | 103 Ų | 103 | 66.7 Ų | 66.7 | 40% | 0.404 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -74.4 | 148.1 | -179.7 | -71.9 | -1.4 | 0 | 0 | 0 | 111.4 | L275 V276 E277 R281 F299 | L275-Y279 HydrophobicContact CG-CE1 4.5Å; V276-Y279 HydrophobicContact CG1-CD2 4.43Å; V276-Y279 HydrophobicContact CG1-CE2 4.4Å; V276-Y279 WeakPolarHBondContact O-CB 3.39Å; V276-Y279 PolarHBondContact O-N 2.71Å; V276-Y279 VanDerWaalsContact O-N 3.13Å; E277-Y279 VanDerWaalsContact C-N 3.34Å; Y279-R281 PolarHBondContact O-N 2.92Å; Y279-F299 AromaticContact CD2-CE2 3.94Å; Y279-F299 HydrophobicContact CD2-CE2 3.94Å; Y279-F299 AromaticContact CD2-CZ 3.64Å; Y279-F299 HydrophobicContact CD2-CZ 3.64Å; Y279-F299 HydrophobicContact CE2-CZ 4.14Å |
| 280 | P | 96.1 | Very high | 94.4 | Very high | 103 Ų | 103 | 67.6 Ų | 67.6 | 67% | 0.669 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 139.7 | 176.8 | 26.3 | -34.3 | 0 | 0 | 0 | 110.2 | R298 | P280-R298 PolarHBondContact O-NH1 2.82Å; P280-R298 PolarHBondContact O-NH2 3.39Å; P280-R298 VanDerWaalsContact O-NH2 3.07Å |
| 281 | R | 96.6 | Very high | 94.2 | Very high | 138 Ų | 138 | 67.2 Ų | 67.2 | 52% | 0.521 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 149.7 | 174 | -56.2 | -179.2 | 76.4 | 89.1 | -0.2 | 110 | Y279 D293 F294 | Y279-R281 PolarHBondContact O-N 2.92Å; R281-D293 HydrophobicContact CB-CB 4.11Å; R281-D293 PolarHBondContact NE-O 3.43Å; R281-D293 PolarHBondContact NH2-O 2.85Å; R281-F294 CarbonylContact C-O 3.57Å; R281-F294 VanDerWaalsContact CA-O 3.24Å; R281-F294 WeakPolarHBondContact CA-O 3.4Å |
| 282 | V | 96 | Very high | 94.1 | Very high | 47 Ų | 47 | 66.9 Ų | 66.9 | 29% | 0.285 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.7 | 175.3 | 166.5 | 0 | 0 | 0 | 0 | 108.5 | A263 D293 F294 R298 | A263-V282 HydrophobicContact CB-CG1 4.25Å; V282-D293 WeakPolarHBondContact O-CA 3.27Å; V282-F294 PolarHBondContact N-O 2.87Å; V282-F294 PolarHBondContact O-N 3.42Å; V282-R298 VanDerWaalsContact CG2-NH1 3.27Å |
| 283 | H | 95.2 | Very high | 94.1 | Very high | 111 Ų | 111 | 64.8 Ų | 64.8 | 51% | 0.514 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 135 | 177.7 | -170.3 | 76.5 | 0 | 0 | 0 | 110.7 | G291 D293 | H283-G291 VanDerWaalsContact CE1-CA 3.43Å; H283-G291 WeakPolarHBondContact CE1-CA 3.43Å; H283-D293 WeakPolarHBondContact CB-OD1 3.33Å; H283-D293 IonicContact CE1-OD1 2.68Å; H283-D293 IonicContact CG-OD1 3.42Å; H283-D293 IonicContact ND1-OD1 3.96Å; H283-D293 PolarHBondContact ND1-OD1 3.21Å |
| 284 | Y | 95.3 | Very high | 94.3 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 135.5 | 168.6 | 174.6 | -94.1 | 0 | 0 | 0 | 110.3 | A255 D258 M259 C262 F286 G291 V292 | A255-Y284 PolarHBondContact O-OH 3.26Å; D258-Y284 WeakPolarHBondContact OD2-CE2 3.36Å; D258-Y284 PolarHBondContact OD2-OH 2.94Å; M259-Y284 VanDerWaalsContact CA-CE2 3.46Å; M259-Y284 VanDerWaalsContact CA-CZ 3.49Å; M259-Y284 HydrophobicContact CB-CD1 3.88Å; M259-Y284 HydrophobicContact CB-CD2 4.38Å; M259-Y284 HydrophobicContact CB-CE1 3.53Å; M259-Y284 HydrophobicContact CB-CE2 4.1Å; M259-Y284 HydrophobicContact CB-CG 4.28Å; M259-Y284 HydrophobicContact CG-CD1 3.56Å; M259-Y284 HydrophobicContact CG-CD2 4.4Å; M259-Y284 HydrophobicContact CG-CE1 3.76Å; M259-Y284 HydrophobicContact CG-CG 3.9Å; M259-Y284 PolarHBondContact N-OH 3.42Å; C262-Y284 HydrophobicContact CB-CD2 3.81Å; C262-Y284 HydrophobicContact CB-CE2 4.23Å; Y284-F286 HydrophobicContact CD1-CD1 4.42Å; Y284-F286 HydrophobicContact CD1-CD2 4.14Å; Y284-F286 HydrophobicContact CD1-CE1 4.39Å; Y284-F286 HydrophobicContact CD1-CE2 4.11Å; Y284-F286 HydrophobicContact CD1-CG 4.29Å; Y284-F286 HydrophobicContact CD1-CZ 4.25Å; Y284-F286 HydrophobicContact CE1-CB 4.48Å; Y284-F286 AromaticContact CE1-CD1 3.73Å; Y284-F286 HydrophobicContact CE1-CD1 3.73Å; Y284-F286 HydrophobicContact CE1-CD2 4.21Å; Y284-F286 AromaticContact CE1-CE1 3.89Å; Y284-F286 HydrophobicContact CE1-CE1 3.89Å; Y284-F286 HydrophobicContact CE1-CE2 4.35Å; Y284-F286 AromaticContact CE1-CG 3.9Å; Y284-F286 HydrophobicContact CE1-CG 3.9Å; Y284-F286 HydrophobicContact CE1-CZ 4.2Å; Y284-G291 CarbonylContact O-C 3.59Å; Y284-G291 WeakPolarHBondContact O-CA 3.31Å; Y284-V292 PolarHBondContact N-O 3.1Å; Y284-V292 PolarHBondContact O-N 3.45Å |
| 285 | E | 93.7 | Very high | 94.4 | Very high | 83 Ų | 83 | 55.6 Ų | 55.6 | 39% | 0.388 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 115.8 | 177.7 | -168.1 | -171.7 | 111.5 | 0 | 0 | 110.2 | K223 G289 | K223-E285 IonicContact NZ-OE1 3.5Å; K223-E285 PolarHBondContact NZ-OE1 3.37Å; E285-G289 WeakPolarHBondContact CG-O 3.47Å |
| 286 | F | 94.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | trans | -66 | 162.4 | 174.3 | -78.7 | -80.3 | 0 | 0 | 0 | 111.6 | L207 I212 V214 M259 Y284 N288 G289 I290 V292 | L207-F286 HydrophobicContact CD1-CE1 4.4Å; L207-F286 HydrophobicContact CD1-CZ 3.91Å; L207-F286 HydrophobicContact CD2-CE2 4.32Å; L207-F286 HydrophobicContact CD2-CZ 3.95Å; I212-F286 HydrophobicContact CG2-CE2 4.12Å; V214-F286 HydrophobicContact CG1-CD1 4.27Å; V214-F286 HydrophobicContact CG1-CE1 4.16Å; V214-F286 HydrophobicContact CG2-CE1 3.99Å; V214-F286 HydrophobicContact CG2-CZ 4.38Å; M259-F286 HydrophobicContact CB-CE1 4.5Å; M259-F286 HydrophobicContact CG-CZ 4.22Å; M259-F286 HydrophobicContact SD-CE1 4.29Å; M259-F286 HydrophobicContact SD-CZ 3.75Å; Y284-F286 HydrophobicContact CD1-CD1 4.42Å; Y284-F286 HydrophobicContact CD1-CD2 4.14Å; Y284-F286 HydrophobicContact CD1-CE1 4.39Å; Y284-F286 HydrophobicContact CD1-CE2 4.11Å; Y284-F286 HydrophobicContact CD1-CG 4.29Å; Y284-F286 HydrophobicContact CD1-CZ 4.25Å; Y284-F286 HydrophobicContact CE1-CB 4.48Å; Y284-F286 AromaticContact CE1-CD1 3.73Å; Y284-F286 HydrophobicContact CE1-CD1 3.73Å; Y284-F286 HydrophobicContact CE1-CD2 4.21Å; Y284-F286 AromaticContact CE1-CE1 3.89Å; Y284-F286 HydrophobicContact CE1-CE1 3.89Å; Y284-F286 HydrophobicContact CE1-CE2 4.35Å; Y284-F286 AromaticContact CE1-CG 3.9Å; Y284-F286 HydrophobicContact CE1-CG 3.9Å; Y284-F286 HydrophobicContact CE1-CZ 4.2Å; F286-N288 WeakPolarHBondContact CB-OD1 3.45Å; F286-N288 PolarHBondContact O-N 2.94Å; F286-G289 WeakPolarHBondContact O-CA 3.48Å; F286-G289 PolarHBondContact O-N 2.96Å; F286-I290 PolarHBondContact N-O 2.77Å; F286-V292 HydrophobicContact CD2-CG2 3.92Å; F286-V292 HydrophobicContact CE2-CB 4.14Å; F286-V292 HydrophobicContact CE2-CG2 3.67Å | ||
| 287 | P | 94.4 | Very high | 94.5 | Very high | 20 Ų | 20 | 56.8 Ų | 56.8 | 13% | 0.13 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -31 | -177.6 | -31.6 | 37.6 | 0 | 0 | 0 | 115.5 | K217 I220 A255 G289 | K217-P287 HydrophobicContact CG-CB 3.68Å; K217-P287 HydrophobicContact CG-CG 3.88Å; I220-P287 HydrophobicContact CD1-CB 3.6Å; I220-P287 WeakPolarHBondContact CD1-O 3.26Å; A255-P287 HydrophobicContact CB-CG 4.26Å; P287-G289 PolarHBondContact O-N 2.91Å |
| 288 | N | 92.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -0.9 | 177.3 | 64.2 | -10.5 | 0 | 0 | 0 | 114 | V215 I220 V232 W234 F286 I290 | V215-N288 HydrophobicContact CB-CB 4.04Å; V215-N288 HydrophobicContact CG1-CB 4.32Å; V215-N288 WeakPolarHBondContact CG2-ND2 3.36Å; I220-N288 VanDerWaalsContact CD1-CA 3.49Å; I220-N288 HydrophobicContact CD1-CB 3.8Å; I220-N288 VanDerWaalsContact CD1-N 3.27Å; I220-N288 HydrophobicContact CG1-CB 4.22Å; V232-N288 WeakPolarHBondContact CG1-O 3.45Å; W234-N288 HydrophobicContact CB-CB 4.41Å; W234-N288 WeakPolarHBondContact CB-O 3.35Å; W234-N288 HydrophobicContact CD2-CB 3.82Å; W234-N288 HydrophobicContact CE3-CB 4.33Å; W234-N288 HydrophobicContact CG-CB 3.82Å; F286-N288 WeakPolarHBondContact CB-OD1 3.45Å; F286-N288 PolarHBondContact O-N 2.94Å; N288-I290 VanDerWaalsContact ND2-CD1 3.28Å; N288-I290 WeakPolarHBondContact ND2-CD1 3.37Å; N288-I290 PolarHBondContact OD1-N 2.81Å; N288-I290 VanDerWaalsContact OD1-N 3.12Å |
| 289 | G | 91.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 89.8 | -5.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V232 E285 F286 P287 G291 | V232-G289 WeakPolarHBondContact CG2-O 3.35Å; E285-G289 WeakPolarHBondContact CG-O 3.47Å; F286-G289 WeakPolarHBondContact O-CA 3.48Å; F286-G289 PolarHBondContact O-N 2.96Å; P287-G289 PolarHBondContact O-N 2.91Å; G289-G291 PolarHBondContact O-N 3.01Å |
| 290 | I | 89.7 | Confident | 94.6 | Very high | 70 Ų | 70 | 41.9 Ų | 41.9 | 36% | 0.359 | 22% | 0.218 | S | C | . | . | trans | -71.5 | 117 | -179.8 | -62.4 | -177.6 | 0 | 0 | 0 | 108.8 | F286 N288 | F286-I290 PolarHBondContact N-O 2.77Å; N288-I290 VanDerWaalsContact ND2-CD1 3.28Å; N288-I290 WeakPolarHBondContact ND2-CD1 3.37Å; N288-I290 PolarHBondContact OD1-N 2.81Å; N288-I290 VanDerWaalsContact OD1-N 3.12Å | ||
| 291 | G | 91.4 | Very high | 94.6 | Very high | 35 Ų | 35 | 37.8 Ų | 37.8 | 36% | 0.361 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H283 Y284 G289 | H283-G291 VanDerWaalsContact CE1-CA 3.43Å; H283-G291 WeakPolarHBondContact CE1-CA 3.43Å; Y284-G291 CarbonylContact O-C 3.59Å; Y284-G291 WeakPolarHBondContact O-CA 3.31Å; G289-G291 PolarHBondContact O-N 3.01Å |
| 292 | V | 93.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 128.6 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | I212 Y284 F286 F294 | I212-V292 HydrophobicContact CD1-CG1 3.69Å; I212-V292 HydrophobicContact CD1-CG2 3.97Å; I212-V292 HydrophobicContact CG2-CG2 3.89Å; Y284-V292 PolarHBondContact N-O 3.1Å; Y284-V292 PolarHBondContact O-N 3.45Å; F286-V292 HydrophobicContact CD2-CG2 3.92Å; F286-V292 HydrophobicContact CE2-CB 4.14Å; F286-V292 HydrophobicContact CE2-CG2 3.67Å; V292-F294 HydrophobicContact CB-CE2 3.8Å; V292-F294 HydrophobicContact CB-CZ 4.14Å; V292-F294 HydrophobicContact CG1-CD2 4.12Å; V292-F294 HydrophobicContact CG1-CE1 4.2Å; V292-F294 HydrophobicContact CG1-CE2 3.59Å; V292-F294 HydrophobicContact CG1-CZ 3.63Å |
| 293 | D | 95.1 | Very high | 94.7 | Very high | 80 Ų | 80 | 29.2 Ų | 29.2 | 43% | 0.428 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.6 | 174.8 | -63.5 | -39.7 | 0 | 0 | 0 | 109.8 | R281 V282 H283 | R281-D293 HydrophobicContact CB-CB 4.11Å; R281-D293 PolarHBondContact NE-O 3.43Å; R281-D293 PolarHBondContact NH2-O 2.85Å; V282-D293 WeakPolarHBondContact O-CA 3.27Å; H283-D293 WeakPolarHBondContact CB-OD1 3.33Å; H283-D293 IonicContact CE1-OD1 2.68Å; H283-D293 IonicContact CG-OD1 3.42Å; H283-D293 IonicContact ND1-OD1 3.96Å; H283-D293 PolarHBondContact ND1-OD1 3.21Å |
| 294 | F | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 121.8 | 177.6 | -65 | -92.3 | 0 | 0 | 0 | 110.7 | Y206 L207 M259 A263 R281 V282 V292 R298 | Y206-F294 HydrophobicContact CD1-CE1 4.11Å; Y206-F294 AromaticContact CE1-CD1 3.93Å; Y206-F294 HydrophobicContact CE1-CD1 3.93Å; Y206-F294 AromaticContact CE1-CE1 3.64Å; Y206-F294 HydrophobicContact CE1-CE1 3.64Å; L207-F294 HydrophobicContact CD2-CE1 4.2Å; L207-F294 HydrophobicContact CD2-CZ 4.08Å; M259-F294 HydrophobicContact CG-CE2 4.16Å; M259-F294 HydrophobicContact CG-CZ 4.01Å; M259-F294 HydrophobicContact SD-CE1 3.93Å; M259-F294 HydrophobicContact SD-CE2 4.13Å; M259-F294 HydrophobicContact SD-CZ 3.38Å; M259-F294 WeakPolarHBondContact SD-CZ 3.48Å; A263-F294 HydrophobicContact CB-CD2 3.97Å; A263-F294 HydrophobicContact CB-CE2 4.43Å; A263-F294 HydrophobicContact CB-CG 4.33Å; R281-F294 CarbonylContact C-O 3.57Å; R281-F294 VanDerWaalsContact CA-O 3.24Å; R281-F294 WeakPolarHBondContact CA-O 3.4Å; V282-F294 PolarHBondContact N-O 2.87Å; V282-F294 PolarHBondContact O-N 3.42Å; V292-F294 HydrophobicContact CB-CE2 3.8Å; V292-F294 HydrophobicContact CB-CZ 4.14Å; V292-F294 HydrophobicContact CG1-CD2 4.12Å; V292-F294 HydrophobicContact CG1-CE1 4.2Å; V292-F294 HydrophobicContact CG1-CE2 3.59Å; V292-F294 HydrophobicContact CG1-CZ 3.63Å; F294-R298 HydrophobicContact CB-CB 4.24Å; F294-R298 PolarHBondContact O-NH1 3.43Å |
| 295 | G | 96.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 5% | 0.052 | 13% | 0.127 | C | C | . | . | trans | -97.5 | -123 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E297 R298 | G295-E297 VanDerWaalsContact C-OE2 3.24Å; G295-E297 VanDerWaalsContact CA-OE2 3.25Å; G295-E297 WeakPolarHBondContact CA-OE2 3.28Å; G295-E297 PolarHBondContact N-OE2 3.4Å; G295-E297 PolarHBondContact O-N 3.39Å; G295-R298 VanDerWaalsContact O-CG 3.27Å; G295-R298 WeakPolarHBondContact O-CG 3.02Å; G295-R298 PolarHBondContact O-N 3.12Å | ||
| 296 | K | 95.7 | Very high | 95 | Very high | 57 Ų | 57 | 19.8 Ų | 19.8 | 25% | 0.248 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25.5 | 179.1 | 69.3 | -176.3 | -168.6 | 171.6 | 0 | 113.7 | T273 V276 E277 R298 F299 E300 | T273-K296 HydrophobicContact CG2-CD 3.89Å; V276-K296 HydrophobicContact CG2-CB 3.79Å; E277-K296 HydrophobicContact CG-CB 4.17Å; E277-K296 HydrophobicContact CG-CD 3.5Å; E277-K296 VanDerWaalsContact CG-CD 3.5Å; E277-K296 HydrophobicContact CG-CG 4.38Å; E277-K296 VanDerWaalsContact OE1-CD 3.29Å; E277-K296 WeakPolarHBondContact OE1-CD 3.25Å; E277-K296 WeakPolarHBondContact OE1-CE 3.37Å; E277-K296 IonicContact OE1-NZ 2.71Å; E277-K296 PolarHBondContact OE1-NZ 2.78Å; K296-R298 PolarHBondContact O-N 3.29Å; K296-R298 VanDerWaalsContact O-N 3.15Å; K296-F299 WeakPolarHBondContact O-CB 3.46Å; K296-F299 PolarHBondContact O-N 2.75Å; K296-E300 WeakPolarHBondContact CD-OE1 3.5Å; K296-E300 VanDerWaalsContact CE-OE1 3.27Å; K296-E300 WeakPolarHBondContact CE-OE1 3.11Å; K296-E300 IonicContact NZ-OE1 2.76Å; K296-E300 PolarHBondContact O-N 2.82Å |
| 297 | E | 94.4 | Very high | 95 | Very high | 34 Ų | 34 | 22.6 Ų | 22.6 | 16% | 0.159 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.3 | -26.7 | -172.9 | -50.9 | 88.7 | 173.8 | 0 | 0 | 111.3 | Y206 G295 F299 E300 I301 | Y206-E297 HydrophobicContact CD2-CB 4.21Å; Y206-E297 HydrophobicContact CD2-CG 4.27Å; Y206-E297 HydrophobicContact CE1-CB 4.47Å; Y206-E297 HydrophobicContact CE2-CB 3.78Å; Y206-E297 HydrophobicContact CE2-CG 3.5Å; G295-E297 VanDerWaalsContact C-OE2 3.24Å; G295-E297 VanDerWaalsContact CA-OE2 3.25Å; G295-E297 WeakPolarHBondContact CA-OE2 3.28Å; G295-E297 PolarHBondContact N-OE2 3.4Å; G295-E297 PolarHBondContact O-N 3.39Å; E297-F299 PolarHBondContact O-N 3.35Å; E297-E300 PolarHBondContact O-N 2.98Å; E297-I301 WeakPolarHBondContact O-CB 3.34Å; E297-I301 WeakPolarHBondContact O-CD1 3.38Å; E297-I301 WeakPolarHBondContact O-CG1 3.35Å; E297-I301 PolarHBondContact O-N 3.21Å |
| 298 | R | 95.6 | Very high | 95 | Very high | 9 Ų | 9 | 24.6 Ų | 24.6 | 3% | 0.034 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.2 | -24.4 | 175 | 84.7 | -170.5 | 180 | -142 | 5.8 | 113.8 | A263 L264 Q265 P280 V282 F294 G295 K296 | A263-R298 WeakPolarHBondContact O-CB 3.38Å; A263-R298 VanDerWaalsContact O-CD 3.27Å; A263-R298 WeakPolarHBondContact O-CD 3.38Å; L264-R298 HydrophobicContact CD2-CB 4.1Å; Q265-R298 HydrophobicContact CB-CG 4.4Å; Q265-R298 PolarHBondContact N-O 2.88Å; P280-R298 PolarHBondContact O-NH1 2.82Å; P280-R298 PolarHBondContact O-NH2 3.39Å; P280-R298 VanDerWaalsContact O-NH2 3.07Å; V282-R298 VanDerWaalsContact CG2-NH1 3.27Å; F294-R298 HydrophobicContact CB-CB 4.24Å; F294-R298 PolarHBondContact O-NH1 3.43Å; G295-R298 VanDerWaalsContact O-CG 3.27Å; G295-R298 WeakPolarHBondContact O-CG 3.02Å; G295-R298 PolarHBondContact O-N 3.12Å; K296-R298 PolarHBondContact O-N 3.29Å; K296-R298 VanDerWaalsContact O-N 3.15Å |
| 299 | F | 97.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -91.7 | -43.5 | 174.3 | -60.5 | -85.5 | 0 | 0 | 0 | 111.2 | Q265 L271 V276 Y279 K296 E297 I301 T302 E303 | Q265-F299 HydrophobicContact CB-CD1 4.11Å; Q265-F299 HydrophobicContact CB-CE1 3.71Å; Q265-F299 HydrophobicContact CB-CZ 4.12Å; Q265-F299 HydrophobicContact CG-CD1 4.23Å; Q265-F299 HydrophobicContact CG-CE1 3.52Å; Q265-F299 HydrophobicContact CG-CZ 4.1Å; Q265-F299 WeakPolarHBondContact O-CA 3.44Å; Q265-F299 WeakPolarHBondContact O-CD1 3.45Å; Q265-F299 VanDerWaalsContact OE1-CZ 3.24Å; L271-F299 HydrophobicContact CD1-CB 3.73Å; L271-F299 HydrophobicContact CD1-CG 4.49Å; L271-F299 HydrophobicContact CD2-CB 4.47Å; V276-F299 HydrophobicContact CB-CD2 3.8Å; V276-F299 HydrophobicContact CB-CE2 4.12Å; V276-F299 HydrophobicContact CB-CG 4.26Å; V276-F299 HydrophobicContact CG1-CB 4.4Å; V276-F299 HydrophobicContact CG1-CD1 4.26Å; V276-F299 HydrophobicContact CG1-CD2 3.95Å; V276-F299 HydrophobicContact CG1-CE2 4.24Å; V276-F299 HydrophobicContact CG1-CG 3.96Å; V276-F299 HydrophobicContact CG2-CD2 4.41Å; Y279-F299 AromaticContact CD2-CE2 3.94Å; Y279-F299 HydrophobicContact CD2-CE2 3.94Å; Y279-F299 AromaticContact CD2-CZ 3.64Å; Y279-F299 HydrophobicContact CD2-CZ 3.64Å; Y279-F299 HydrophobicContact CE2-CZ 4.14Å; K296-F299 WeakPolarHBondContact O-CB 3.46Å; K296-F299 PolarHBondContact O-N 2.75Å; E297-F299 PolarHBondContact O-N 3.35Å; F299-I301 VanDerWaalsContact C-N 3.28Å; F299-I301 PolarHBondContact O-N 3.27Å; F299-T302 PolarHBondContact O-N 2.61Å; F299-T302 PolarHBondContact O-OG1 2.92Å; F299-E303 WeakPolarHBondContact O-CB 3.2Å; F299-E303 PolarHBondContact O-N 3.25Å |
| 300 | E | 95.5 | Very high | 95.2 | Very high | 55 Ų | 55 | 31.6 Ų | 31.6 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.3 | -37.1 | 179.5 | -67.2 | 175.1 | 169.9 | 0 | 0 | 112.4 | L271 K296 E297 F310 | L271-E300 HydrophobicContact CD2-CB 4.48Å; L271-E300 HydrophobicContact CD2-CG 3.94Å; K296-E300 WeakPolarHBondContact CD-OE1 3.5Å; K296-E300 VanDerWaalsContact CE-OE1 3.27Å; K296-E300 WeakPolarHBondContact CE-OE1 3.11Å; K296-E300 IonicContact NZ-OE1 2.76Å; K296-E300 PolarHBondContact O-N 2.82Å; E297-E300 PolarHBondContact O-N 2.98Å; E300-F310 HydrophobicContact CB-CD1 4.48Å; E300-F310 HydrophobicContact CG-CE1 4.41Å |
| 301 | I | 95.9 | Very high | 95.4 | Very high | 17 Ų | 17 | 30 Ų | 30 | 9% | 0.087 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 177.7 | -70.7 | 165.8 | 0 | 0 | 0 | 111.5 | I199 Y206 L264 E297 F299 | I199-I301 HydrophobicContact CD1-CG2 4.4Å; I199-I301 WeakPolarHBondContact CD1-O 3.43Å; I199-I301 HydrophobicContact CG2-CG2 3.98Å; Y206-I301 HydrophobicContact CD1-CD1 4.34Å; Y206-I301 HydrophobicContact CG-CD1 4.18Å; L264-I301 HydrophobicContact CD1-CG2 3.97Å; L264-I301 HydrophobicContact CD2-CB 4.29Å; L264-I301 HydrophobicContact CD2-CD1 4.2Å; L264-I301 HydrophobicContact CD2-CG2 4.34Å; E297-I301 WeakPolarHBondContact O-CB 3.34Å; E297-I301 WeakPolarHBondContact O-CD1 3.38Å; E297-I301 WeakPolarHBondContact O-CG1 3.35Å; E297-I301 PolarHBondContact O-N 3.21Å; F299-I301 VanDerWaalsContact C-N 3.28Å; F299-I301 PolarHBondContact O-N 3.27Å |
| 302 | T | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -82 | -24.7 | -178.1 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | L264 Q265 V266 F299 A304 L305 L355 | L264-T302 HydrophobicContact CB-CG2 3.86Å; L264-T302 HydrophobicContact CD1-CG2 3.83Å; L264-T302 HydrophobicContact CG-CG2 4.33Å; Q265-T302 PolarHBondContact O-OG1 2.95Å; V266-T302 HydrophobicContact CG2-CG2 4.36Å; F299-T302 PolarHBondContact O-N 2.61Å; F299-T302 PolarHBondContact O-OG1 2.92Å; T302-A304 PolarHBondContact O-N 2.73Å; T302-L305 VanDerWaalsContact O-CB 3.31Å; T302-L305 WeakPolarHBondContact O-CB 3.27Å; T302-L305 WeakPolarHBondContact O-CG 3.4Å; T302-L305 PolarHBondContact O-N 3.04Å; T302-L355 HydrophobicContact CG2-CD1 4.23Å |
| 303 | E | 97.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -32.5 | 179.3 | -171.4 | 60.7 | -166.3 | 0 | 0 | 112.5 | L271 F299 L305 F306 D307 F310 R361 | L271-E303 HydrophobicContact CB-CB 4.48Å; L271-E303 HydrophobicContact CB-CG 3.78Å; L271-E303 WeakPolarHBondContact CB-OE2 3.45Å; L271-E303 HydrophobicContact CD2-CB 3.85Å; L271-E303 HydrophobicContact CD2-CG 3.86Å; L271-E303 HydrophobicContact CG-CG 4.47Å; F299-E303 WeakPolarHBondContact O-CB 3.2Å; F299-E303 PolarHBondContact O-N 3.25Å; E303-L305 PolarHBondContact O-N 2.83Å; E303-F306 PolarHBondContact O-N 3.32Å; E303-D307 HydrophobicContact CG-CB 4.4Å; E303-D307 PolarHBondContact O-N 3.02Å; E303-F310 HydrophobicContact CB-CB 4.34Å; E303-F310 HydrophobicContact CB-CD1 4.07Å; E303-F310 HydrophobicContact CB-CD2 4.2Å; E303-F310 HydrophobicContact CB-CE1 4.46Å; E303-F310 HydrophobicContact CB-CG 3.94Å; E303-F310 HydrophobicContact CG-CB 4.4Å; E303-F310 HydrophobicContact CG-CD1 4.04Å; E303-F310 HydrophobicContact CG-CD2 3.42Å; E303-F310 VanDerWaalsContact CG-CD2 3.42Å; E303-F310 HydrophobicContact CG-CE1 4.15Å; E303-F310 HydrophobicContact CG-CE2 3.54Å; E303-F310 HydrophobicContact CG-CG 3.68Å; E303-F310 HydrophobicContact CG-CZ 3.92Å; E303-R361 VanDerWaalsContact CD-NH1 3.3Å; E303-R361 IonicContact OE1-CZ 2.66Å; E303-R361 IonicContact OE1-NH1 3.78Å; E303-R361 PolarHBondContact OE1-NH1 2.82Å; E303-R361 VanDerWaalsContact OE1-NH1 3.13Å; E303-R361 IonicContact OE1-NH2 3.19Å; E303-R361 PolarHBondContact OE1-NH2 3.1Å; E303-R361 IonicContact OE2-CZ 2.6Å; E303-R361 IonicContact OE2-NH1 2.75Å; E303-R361 PolarHBondContact OE2-NH1 3.31Å; E303-R361 IonicContact OE2-NH2 2.79Å |
| 304 | A | 95.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -15.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | L194 F198 T302 D307 F310 I311 | L194-A304 WeakPolarHBondContact CD1-O 3.47Å; F198-A304 HydrophobicContact CE1-CB 3.67Å; F198-A304 HydrophobicContact CZ-CB 4.01Å; T302-A304 PolarHBondContact O-N 2.73Å; A304-D307 WeakPolarHBondContact CA-O 3.44Å; A304-F310 HydrophobicContact CB-CB 4.05Å; A304-I311 HydrophobicContact CB-CG1 4.09Å |
| 305 | L | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -32.2 | 170.7 | -62.4 | 173.8 | 0 | 0 | 0 | 112.8 | L194 I199 T302 E303 S322 I323 L355 F358 | L194-L305 HydrophobicContact CB-CD2 4Å; I199-L305 HydrophobicContact CD1-CD1 4.15Å; I199-L305 HydrophobicContact CD1-CD2 3.97Å; I199-L305 HydrophobicContact CD1-CG 3.87Å; I199-L305 HydrophobicContact CG1-CD1 4.23Å; I199-L305 HydrophobicContact CG1-CD2 4.04Å; I199-L305 HydrophobicContact CG1-CG 4.28Å; T302-L305 VanDerWaalsContact O-CB 3.31Å; T302-L305 WeakPolarHBondContact O-CB 3.27Å; T302-L305 WeakPolarHBondContact O-CG 3.4Å; T302-L305 PolarHBondContact O-N 3.04Å; E303-L305 PolarHBondContact O-N 2.83Å; L305-S322 CarbonylContact O-C 3.41Å; L305-S322 WeakPolarHBondContact O-CA 3.33Å; L305-I323 HydrophobicContact CB-CD1 3.85Å; L305-I323 HydrophobicContact CB-CG1 4.3Å; L305-I323 HydrophobicContact CD1-CD1 4.42Å; L305-I323 HydrophobicContact CD2-CD1 4.49Å; L305-I323 HydrophobicContact CG-CD1 4.46Å; L305-I323 WeakPolarHBondContact O-CG1 3.48Å; L305-I323 PolarHBondContact O-N 3.26Å; L305-L355 HydrophobicContact CD1-CD1 4.11Å; L305-F358 HydrophobicContact CD1-CE2 4.27Å |
| 306 | F | 97.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -34.5 | -170.7 | -65 | -86 | 0 | 0 | 0 | 112.3 | V266 E303 S322 I323 F358 R361 L362 | V266-F306 HydrophobicContact CG1-CD2 4Å; V266-F306 HydrophobicContact CG1-CE2 3.47Å; V266-F306 VanDerWaalsContact CG1-CE2 3.47Å; V266-F306 HydrophobicContact CG1-CZ 4.16Å; V266-F306 HydrophobicContact CG2-CE2 4.19Å; E303-F306 PolarHBondContact O-N 3.32Å; F306-S322 WeakPolarHBondContact O-CB 3.16Å; F306-S322 PolarHBondContact O-OG 3.45Å; F306-I323 HydrophobicContact CD1-CB 4.49Å; F306-I323 HydrophobicContact CE1-CB 4.35Å; F306-I323 HydrophobicContact CZ-CD1 4.31Å; F306-F358 HydrophobicContact CE2-CD2 4.46Å; F306-F358 HydrophobicContact CZ-CD2 4.25Å; F306-F358 HydrophobicContact CZ-CE2 4.31Å; F306-R361 HydrophobicContact CD1-CG 3.6Å; F306-R361 HydrophobicContact CD2-CG 3.85Å; F306-R361 HydrophobicContact CE1-CB 4.19Å; F306-R361 HydrophobicContact CE1-CG 3.57Å; F306-R361 HydrophobicContact CE2-CB 4.35Å; F306-R361 HydrophobicContact CE2-CG 3.86Å; F306-R361 HydrophobicContact CG-CG 3.73Å; F306-R361 HydrophobicContact CZ-CB 4.03Å; F306-R361 HydrophobicContact CZ-CG 3.71Å; F306-L362 HydrophobicContact CE1-CB 4.46Å; F306-L362 HydrophobicContact CE1-CD1 3.95Å |
| 307 | D | 95.6 | Very high | 94.1 | Very high | 60 Ų | 60 | 45.2 Ų | 45.2 | 32% | 0.321 | 27% | 0.274 | S | S | . | . | trans | -123 | 111 | 171 | -176.9 | 1.9 | 0 | 0 | 0 | 111.1 | E303 A304 S309 F310 | E303-D307 HydrophobicContact CG-CB 4.4Å; E303-D307 PolarHBondContact O-N 3.02Å; A304-D307 WeakPolarHBondContact CA-O 3.44Å; D307-S309 PolarHBondContact O-N 2.97Å; D307-S309 VanDerWaalsContact O-N 3.09Å; D307-S309 VanDerWaalsContact OD1-CB 3.26Å; D307-S309 WeakPolarHBondContact OD1-CB 3.32Å; D307-S309 PolarHBondContact OD1-N 2.95Å; D307-S309 PolarHBondContact OD1-OG 3.32Å; D307-S309 VanDerWaalsContact OD1-OG 3.11Å; D307-S309 PolarHBondContact OD2-OG 2.86Å; D307-F310 HydrophobicContact CB-CD2 3.96Å; D307-F310 HydrophobicContact CB-CE2 4.37Å; D307-F310 PolarHBondContact O-N 3.15Å; D307-F310 VanDerWaalsContact O-N 3.15Å | ||
| 308 | T | 95.3 | Very high | 93.9 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -63.7 | -14.4 | 179.7 | 58 | 0 | 0 | 0 | 0 | 113.8 | L194 F310 I311 A320 | L194-T308 HydrophobicContact CD1-CG2 4.29Å; T308-F310 PolarHBondContact O-N 3.39Å; T308-I311 HydrophobicContact CG2-CD1 4Å; T308-I311 WeakPolarHBondContact O-CB 3.4Å; T308-I311 VanDerWaalsContact O-CG1 3.29Å; T308-I311 WeakPolarHBondContact O-CG1 3.44Å; T308-I311 PolarHBondContact O-N 2.75Å; T308-I311 VanDerWaalsContact O-N 3.14Å; T308-A320 WeakPolarHBondContact CG2-O 3.45Å |
| 309 | S | 93.7 | Very high | 93.8 | Very high | 86 Ų | 86 | 52.8 Ų | 52.8 | 60% | 0.601 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -64.2 | -22.6 | 174.8 | 81.6 | 0 | 0 | 0 | 0 | 112.8 | D307 I311 | D307-S309 PolarHBondContact O-N 2.97Å; D307-S309 VanDerWaalsContact O-N 3.09Å; D307-S309 VanDerWaalsContact OD1-CB 3.26Å; D307-S309 WeakPolarHBondContact OD1-CB 3.32Å; D307-S309 PolarHBondContact OD1-N 2.95Å; D307-S309 PolarHBondContact OD1-OG 3.32Å; D307-S309 VanDerWaalsContact OD1-OG 3.11Å; D307-S309 PolarHBondContact OD2-OG 2.86Å; S309-I311 VanDerWaalsContact C-N 3.31Å |
| 310 | F | 94 | Very high | 93.7 | Very high | 63 Ų | 63 | 53.6 Ų | 53.6 | 28% | 0.276 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -83.1 | -3.3 | 176.2 | -74.6 | -98.9 | 0 | 0 | 0 | 113.7 | L271 E300 E303 A304 D307 T308 K312 | L271-F310 HydrophobicContact CD2-CD1 4.44Å; L271-F310 HydrophobicContact CD2-CE1 3.68Å; L271-F310 HydrophobicContact CD2-CZ 3.89Å; E300-F310 HydrophobicContact CB-CD1 4.48Å; E300-F310 HydrophobicContact CG-CE1 4.41Å; E303-F310 HydrophobicContact CB-CB 4.34Å; E303-F310 HydrophobicContact CB-CD1 4.07Å; E303-F310 HydrophobicContact CB-CD2 4.2Å; E303-F310 HydrophobicContact CB-CE1 4.46Å; E303-F310 HydrophobicContact CB-CG 3.94Å; E303-F310 HydrophobicContact CG-CB 4.4Å; E303-F310 HydrophobicContact CG-CD1 4.04Å; E303-F310 HydrophobicContact CG-CD2 3.42Å; E303-F310 VanDerWaalsContact CG-CD2 3.42Å; E303-F310 HydrophobicContact CG-CE1 4.15Å; E303-F310 HydrophobicContact CG-CE2 3.54Å; E303-F310 HydrophobicContact CG-CG 3.68Å; E303-F310 HydrophobicContact CG-CZ 3.92Å; A304-F310 HydrophobicContact CB-CB 4.05Å; D307-F310 HydrophobicContact CB-CD2 3.96Å; D307-F310 HydrophobicContact CB-CE2 4.37Å; D307-F310 PolarHBondContact O-N 3.15Å; D307-F310 VanDerWaalsContact O-N 3.15Å; T308-F310 PolarHBondContact O-N 3.39Å; F310-K312 PolarHBondContact O-N 2.68Å |
| 311 | I | 94.3 | Very high | 93.7 | Very high | 38 Ų | 38 | 54.1 Ų | 54.1 | 20% | 0.195 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 117.1 | 177 | -59.4 | 172.8 | 0 | 0 | 0 | 109.2 | L194 F198 A304 T308 S309 M315 L316 | L194-I311 HydrophobicContact CD1-CD1 4.33Å; L194-I311 HydrophobicContact CD2-CD1 3.92Å; L194-I311 HydrophobicContact CD2-CG1 4.5Å; F198-I311 HydrophobicContact CE2-CG2 4.14Å; F198-I311 HydrophobicContact CZ-CB 4.44Å; F198-I311 HydrophobicContact CZ-CG1 3.91Å; F198-I311 HydrophobicContact CZ-CG2 4.1Å; A304-I311 HydrophobicContact CB-CG1 4.09Å; T308-I311 HydrophobicContact CG2-CD1 4Å; T308-I311 WeakPolarHBondContact O-CB 3.4Å; T308-I311 VanDerWaalsContact O-CG1 3.29Å; T308-I311 WeakPolarHBondContact O-CG1 3.44Å; T308-I311 PolarHBondContact O-N 2.75Å; T308-I311 VanDerWaalsContact O-N 3.14Å; S309-I311 VanDerWaalsContact C-N 3.31Å; I311-M315 HydrophobicContact CG2-CB 4.09Å; I311-L316 HydrophobicContact CD1-CD1 4.03Å; I311-L316 HydrophobicContact CG2-CD1 4.3Å; I311-L316 HydrophobicContact CG2-CG 4.49Å |
| 312 | K | 91.4 | Very high | 93.8 | Very high | 93 Ų | 93 | 53.9 Ų | 53.9 | 40% | 0.404 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 147 | 178.8 | -65.2 | -177.5 | -179.6 | 176.7 | 0 | 111.5 | F310 G314 M315 | F310-K312 PolarHBondContact O-N 2.68Å; K312-G314 PolarHBondContact O-N 3.25Å; K312-M315 HydrophobicContact CB-CG 4.06Å; K312-M315 HydrophobicContact CB-SD 3.87Å; K312-M315 HydrophobicContact CG-SD 4.43Å; K312-M315 WeakPolarHBondContact O-CB 3.34Å; K312-M315 WeakPolarHBondContact O-CG 3.32Å; K312-M315 PolarHBondContact O-N 3.43Å |
| 313 | P | 88.9 | Confident | 93.8 | Very high | 130 Ų | 130 | 53.9 Ų | 53.9 | 84% | 0.844 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 135.2 | 175.9 | -27 | 34.9 | 0 | 0 | 0 | 112.6 | M315 | P313-M315 VanDerWaalsContact C-N 3.33Å; P313-M315 PolarHBondContact O-N 3.42Å |
| 314 | G | 89 | Confident | 93.7 | Very high | 76 Ų | 76 | 54.2 Ų | 54.2 | 78% | 0.784 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -2.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | K312 | K312-G314 PolarHBondContact O-N 3.25Š|
| 315 | M | 90.7 | Very high | 93.7 | Very high | 28 Ų | 28 | 56.2 Ų | 56.2 | 14% | 0.138 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -71.2 | -28.9 | 174.6 | -72.6 | -169.6 | 74.2 | 0 | 0 | 113.6 | F198 T201 Q205 I311 K312 P313 | F198-M315 HydrophobicContact CD2-CE 3.92Å; F198-M315 HydrophobicContact CE1-CE 4.19Å; F198-M315 HydrophobicContact CE2-CB 3.98Å; F198-M315 HydrophobicContact CE2-CE 3.49Å; F198-M315 VanDerWaalsContact CE2-CE 3.49Å; F198-M315 HydrophobicContact CE2-SD 4.11Å; F198-M315 HydrophobicContact CG-CE 4.44Å; F198-M315 HydrophobicContact CZ-CE 3.61Å; F198-M315 HydrophobicContact CZ-SD 4.04Å; F198-M315 WeakPolarHBondContact O-CE 3.21Å; T201-M315 HydrophobicContact CG2-CE 4.28Å; Q205-M315 PolarHBondContact OE1-SD 2.71Å; I311-M315 HydrophobicContact CG2-CB 4.09Å; K312-M315 HydrophobicContact CB-CG 4.06Å; K312-M315 HydrophobicContact CB-SD 3.87Å; K312-M315 HydrophobicContact CG-SD 4.43Å; K312-M315 WeakPolarHBondContact O-CB 3.34Å; K312-M315 WeakPolarHBondContact O-CG 3.32Å; K312-M315 PolarHBondContact O-N 3.43Å; P313-M315 VanDerWaalsContact C-N 3.33Å; P313-M315 PolarHBondContact O-N 3.42Å |
| 316 | L | 91.3 | Very high | 93.7 | Very high | 53 Ų | 53 | 56.2 Ų | 56.2 | 28% | 0.277 | 36% | 0.357 | S | S | . | . | trans | -133 | 146.8 | -179.9 | -65.9 | 176.8 | 0 | 0 | 0 | 110.6 | P193 L194 F198 I311 A320 | P193-L316 HydrophobicContact CB-CD2 4.27Å; P193-L316 HydrophobicContact CG-CD1 4.34Å; P193-L316 HydrophobicContact CG-CD2 3.95Å; L194-L316 HydrophobicContact CD2-CD1 3.93Å; F198-L316 HydrophobicContact CD2-CD2 3.97Å; F198-L316 HydrophobicContact CD2-CG 4.22Å; F198-L316 HydrophobicContact CE2-CD1 4.11Å; F198-L316 HydrophobicContact CE2-CD2 4.22Å; F198-L316 HydrophobicContact CE2-CG 3.94Å; I311-L316 HydrophobicContact CD1-CD1 4.03Å; I311-L316 HydrophobicContact CG2-CD1 4.3Å; I311-L316 HydrophobicContact CG2-CG 4.49Å; L316-A320 HydrophobicContact CD1-CB 3.67Å | ||
| 317 | S | 89.2 | Confident | 93.7 | Very high | 131 Ų | 131 | 56 Ų | 56 | 92% | 0.916 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -86.1 | -15 | 174.5 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 318 | S | 90.5 | Very high | 93.7 | Very high | 69 Ų | 69 | 55.7 Ų | 55.7 | 48% | 0.483 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -142.9 | 153.6 | -178.3 | 57.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 319 | P | 91.8 | Very high | 93.8 | Very high | 133 Ų | 133 | 55.1 Ų | 55.1 | 86% | 0.864 | 36% | 0.355 | S | S | * | . | trans | -54.5 | 143.7 | 171.4 | -23.8 | 34 | 0 | 0 | 0 | 111.5 | ||||
| 320 | A | 95.4 | Very high | 93.9 | Very high | 18 Ų | 18 | 51 Ų | 51 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | trans | -120.4 | 158 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P193 L194 T308 L316 | P193-A320 HydrophobicContact CG-CB 3.87Å; L194-A320 HydrophobicContact CD1-CB 4.01Å; L194-A320 HydrophobicContact CD2-CB 4.15Å; L194-A320 HydrophobicContact CG-CB 3.84Å; T308-A320 WeakPolarHBondContact CG2-O 3.45Å; L316-A320 HydrophobicContact CD1-CB 3.67Å | ||
| 321 | L | 96.9 | Very high | 94 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 34% | 0.34 | 31% | 0.314 | S | S | . | . | trans | -90 | 134.2 | 172.8 | -63.1 | 177.8 | 0 | 0 | 0 | 109.3 | S192 L194 V326 | S192-L321 WeakPolarHBondContact CB-O 3.34Å; S192-L321 PolarHBondContact OG-O 2.58Å; L194-L321 VanDerWaalsContact CD1-O 3.3Å; L194-L321 WeakPolarHBondContact CD1-O 3.41Å; L321-V326 HydrophobicContact CB-CG2 3.63Å; L321-V326 HydrophobicContact CD1-CG2 4.29Å | ||
| 322 | S | 97.2 | Very high | 94 | Very high | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | trans | -60.8 | 160.4 | 165.5 | 67 | 0 | 0 | 0 | 0 | 111 | L305 F306 S324 S325 V326 | L305-S322 CarbonylContact O-C 3.41Å; L305-S322 WeakPolarHBondContact O-CA 3.33Å; F306-S322 WeakPolarHBondContact O-CB 3.16Å; F306-S322 PolarHBondContact O-OG 3.45Å; S322-S324 VanDerWaalsContact C-N 3.28Å; S322-S324 PolarHBondContact O-N 2.87Å; S322-S325 CarbonylContact O-C 3.25Å; S322-S325 WeakPolarHBondContact O-CA 3.34Å; S322-S325 WeakPolarHBondContact O-CB 2.88Å; S322-S325 PolarHBondContact O-N 3.13Å; S322-S325 WeakPolarHBondContact OG-CB 2.93Å; S322-S325 PolarHBondContact OG-N 3.48Å; S322-S325 PolarHBondContact OG-OG 3.45Å; S322-V326 WeakPolarHBondContact O-CG2 3.18Å; S322-V326 PolarHBondContact O-N 3.03Å | ||
| 323 | I | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.9 | -42.6 | -178.5 | -63.3 | -178.1 | 0 | 0 | 0 | 111.3 | V167 T174 L305 F306 S325 V326 I327 F358 L362 | V167-I323 HydrophobicContact CG1-CG2 4.49Å; T174-I323 HydrophobicContact CG2-CD1 4.41Å; T174-I323 HydrophobicContact CG2-CG1 4.15Å; T174-I323 HydrophobicContact CG2-CG2 4.44Å; L305-I323 HydrophobicContact CB-CD1 3.85Å; L305-I323 HydrophobicContact CB-CG1 4.3Å; L305-I323 HydrophobicContact CD1-CD1 4.42Å; L305-I323 HydrophobicContact CD2-CD1 4.49Å; L305-I323 HydrophobicContact CG-CD1 4.46Å; L305-I323 WeakPolarHBondContact O-CG1 3.48Å; L305-I323 PolarHBondContact O-N 3.26Å; F306-I323 HydrophobicContact CD1-CB 4.49Å; F306-I323 HydrophobicContact CE1-CB 4.35Å; F306-I323 HydrophobicContact CZ-CD1 4.31Å; I323-S325 VanDerWaalsContact C-N 3.32Å; I323-S325 PolarHBondContact O-N 3.42Å; I323-V326 WeakPolarHBondContact O-CB 3.39Å; I323-V326 PolarHBondContact O-N 3.48Å; I323-I327 HydrophobicContact CG2-CD1 4.21Å; I323-I327 WeakPolarHBondContact O-CG1 3.09Å; I323-I327 PolarHBondContact O-N 3.38Å; I323-F358 HydrophobicContact CD1-CE2 3.6Å; I323-F358 HydrophobicContact CD1-CZ 3.59Å; I323-L362 HydrophobicContact CG2-CD1 3.66Å |
| 324 | S | 95 | Very high | 94.5 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.1 | -31 | 176.3 | -64.3 | 0 | 0 | 0 | 0 | 113.3 | S322 S328 E365 N366 | S322-S324 VanDerWaalsContact C-N 3.28Å; S322-S324 PolarHBondContact O-N 2.87Å; S324-S328 WeakPolarHBondContact O-CB 3.5Å; S324-S328 PolarHBondContact O-N 2.91Å; S324-S328 PolarHBondContact O-OG 3.3Å; S324-E365 WeakPolarHBondContact CB-OE2 3.44Å; S324-E365 VanDerWaalsContact OG-CB 3.3Å; S324-E365 WeakPolarHBondContact OG-CB 3.39Å; S324-E365 PolarHBondContact OG-OE2 3.06Å; S324-N366 PolarHBondContact OG-ND2 2.9Å |
| 325 | S | 96.2 | Very high | 94.7 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.6 | -37.7 | 171.7 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | S322 I323 T329 | S322-S325 CarbonylContact O-C 3.25Å; S322-S325 WeakPolarHBondContact O-CA 3.34Å; S322-S325 WeakPolarHBondContact O-CB 2.88Å; S322-S325 PolarHBondContact O-N 3.13Å; S322-S325 WeakPolarHBondContact OG-CB 2.93Å; S322-S325 PolarHBondContact OG-N 3.48Å; S322-S325 PolarHBondContact OG-OG 3.45Å; I323-S325 VanDerWaalsContact C-N 3.32Å; I323-S325 PolarHBondContact O-N 3.42Å; S325-T329 WeakPolarHBondContact O-CB 3.37Å; S325-T329 PolarHBondContact O-N 3.1Å; S325-T329 PolarHBondContact O-OG1 3.02Å |
| 326 | V | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 173.2 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | A176 A190 L321 S322 I323 T329 S330 | A176-V326 HydrophobicContact CB-CG1 3.67Å; A190-V326 HydrophobicContact CB-CG1 3.88Å; A190-V326 VanDerWaalsContact CB-O 3.29Å; A190-V326 WeakPolarHBondContact CB-O 3.31Å; A190-V326 WeakPolarHBondContact O-CG1 3.38Å; L321-V326 HydrophobicContact CB-CG2 3.63Å; L321-V326 HydrophobicContact CD1-CG2 4.29Å; S322-V326 WeakPolarHBondContact O-CG2 3.18Å; S322-V326 PolarHBondContact O-N 3.03Å; I323-V326 WeakPolarHBondContact O-CB 3.39Å; I323-V326 PolarHBondContact O-N 3.48Å; V326-T329 PolarHBondContact O-N 3.26Å; V326-S330 WeakPolarHBondContact O-CB 3.37Å; V326-S330 PolarHBondContact O-N 2.69Å |
| 327 | I | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.4 | -53.9 | 176.8 | -71 | 165.2 | 0 | 0 | 0 | 111 | L165 V167 I323 T329 S330 I331 L346 L362 | L165-I327 HydrophobicContact CD2-CG2 3.9Å; V167-I327 HydrophobicContact CG2-CD1 3.94Å; V167-I327 HydrophobicContact CG2-CG1 3.63Å; I323-I327 HydrophobicContact CG2-CD1 4.21Å; I323-I327 WeakPolarHBondContact O-CG1 3.09Å; I323-I327 PolarHBondContact O-N 3.38Å; I327-T329 VanDerWaalsContact C-N 3.27Å; I327-T329 PolarHBondContact O-N 3.35Å; I327-S330 PolarHBondContact O-N 2.92Å; I327-S330 VanDerWaalsContact O-N 3.14Å; I327-I331 HydrophobicContact CG2-CD1 3.98Å; I327-I331 WeakPolarHBondContact O-CG1 3.48Å; I327-I331 PolarHBondContact O-N 3.47Å; I327-L346 HydrophobicContact CD1-CD1 4.26Å; I327-L346 HydrophobicContact CD1-CD2 3.83Å; I327-L346 HydrophobicContact CG1-CD1 4.21Å; I327-L346 HydrophobicContact CG2-CD1 4.05Å; I327-L362 HydrophobicContact CD1-CD1 3.57Å; I327-L362 HydrophobicContact CD1-CD2 4.26Å; I327-L362 HydrophobicContact CD1-CG 4.19Å |
| 328 | S | 95.4 | Very high | 94.9 | Very high | 54 Ų | 54 | 51.8 Ų | 51.8 | 38% | 0.378 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | -178.6 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | S324 N332 | S324-S328 WeakPolarHBondContact O-CB 3.5Å; S324-S328 PolarHBondContact O-N 2.91Å; S324-S328 PolarHBondContact O-OG 3.3Å; S328-N332 WeakPolarHBondContact O-CB 3.33Å; S328-N332 PolarHBondContact O-N 3.46Å; S328-N332 PolarHBondContact O-ND2 3.02Å |
| 329 | T | 96.9 | Very high | 95 | Very high | 51 Ų | 51 | 51.4 Ų | 51.4 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 176 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | A190 S325 V326 I327 I331 N332 L333 | A190-T329 HydrophobicContact CB-CG2 4.04Å; S325-T329 WeakPolarHBondContact O-CB 3.37Å; S325-T329 PolarHBondContact O-N 3.1Å; S325-T329 PolarHBondContact O-OG1 3.02Å; V326-T329 PolarHBondContact O-N 3.26Å; I327-T329 VanDerWaalsContact C-N 3.27Å; I327-T329 PolarHBondContact O-N 3.35Å; T329-I331 PolarHBondContact O-N 3.09Å; T329-N332 PolarHBondContact O-N 2.97Å; T329-L333 HydrophobicContact CG2-CD1 3.93Å; T329-L333 HydrophobicContact CG2-CG 4.39Å; T329-L333 VanDerWaalsContact O-CG 3.27Å; T329-L333 WeakPolarHBondContact O-CG 3.34Å; T329-L333 PolarHBondContact O-N 3.28Å |
| 330 | S | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.7 | -44 | 179.2 | -172.5 | 0 | 0 | 0 | 0 | 112.6 | L165 A176 T188 V326 I327 N332 L333 C334 | L165-S330 VanDerWaalsContact CD1-OG 3.24Å; L165-S330 WeakPolarHBondContact CD1-OG 3.48Å; A176-S330 PolarHBondContact O-OG 3.3Å; T188-S330 WeakPolarHBondContact O-CA 3.43Å; T188-S330 VanDerWaalsContact O-CB 3.25Å; T188-S330 WeakPolarHBondContact O-CB 3.42Å; T188-S330 PolarHBondContact O-OG 3.27Å; V326-S330 WeakPolarHBondContact O-CB 3.37Å; V326-S330 PolarHBondContact O-N 2.69Å; I327-S330 PolarHBondContact O-N 2.92Å; I327-S330 VanDerWaalsContact O-N 3.14Å; S330-N332 VanDerWaalsContact C-N 3.35Å; S330-N332 PolarHBondContact O-N 3.42Å; S330-L333 PolarHBondContact O-N 3.34Å; S330-C334 PolarHBondContact O-N 3.09Å |
| 331 | I | 95.6 | Very high | 94.6 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -43.4 | 175.7 | -63.3 | 176 | 0 | 0 | 0 | 111 | L165 I327 T329 L333 C334 R339 Y343 V369 | L165-I331 HydrophobicContact CD2-CD1 3.94Å; L165-I331 HydrophobicContact CD2-CG1 3.53Å; I327-I331 HydrophobicContact CG2-CD1 3.98Å; I327-I331 WeakPolarHBondContact O-CG1 3.48Å; I327-I331 PolarHBondContact O-N 3.47Å; T329-I331 PolarHBondContact O-N 3.09Å; I331-L333 VanDerWaalsContact C-N 3.3Å; I331-L333 PolarHBondContact O-N 3.14Å; I331-C334 WeakPolarHBondContact O-CB 3.48Å; I331-C334 PolarHBondContact O-N 2.56Å; I331-C334 VanDerWaalsContact O-N 3.11Å; I331-R339 HydrophobicContact CG2-CB 4.38Å; I331-R339 HydrophobicContact CG2-CG 4.09Å; I331-R339 PolarHBondContact O-NE 3.24Å; I331-Y343 HydrophobicContact CD1-CD1 4.21Å; I331-Y343 HydrophobicContact CD1-CE1 3.84Å; I331-Y343 HydrophobicContact CG2-CE1 4.19Å; I331-Y343 HydrophobicContact CG2-CE2 4.11Å; I331-V369 HydrophobicContact CD1-CG1 4.11Å |
| 332 | N | 95.3 | Very high | 94.3 | Very high | 95 Ų | 95 | 48.3 Ų | 48.3 | 51% | 0.508 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.6 | -28.4 | -179 | -74.5 | -30.7 | 0 | 0 | 0 | 113 | S328 T329 S330 C334 R339 | S328-N332 WeakPolarHBondContact O-CB 3.33Å; S328-N332 PolarHBondContact O-N 3.46Å; S328-N332 PolarHBondContact O-ND2 3.02Å; T329-N332 PolarHBondContact O-N 2.97Å; S330-N332 VanDerWaalsContact C-N 3.35Å; S330-N332 PolarHBondContact O-N 3.42Å; N332-C334 VanDerWaalsContact C-N 3.26Å; N332-R339 PolarHBondContact O-NH2 3.41Å |
| 333 | L | 96.4 | Very high | 94.1 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -74.6 | -15.6 | 172.9 | -70.3 | 169.9 | 0 | 0 | 0 | 113 | T329 S330 I331 | T329-L333 HydrophobicContact CG2-CD1 3.93Å; T329-L333 HydrophobicContact CG2-CG 4.39Å; T329-L333 VanDerWaalsContact O-CG 3.27Å; T329-L333 WeakPolarHBondContact O-CG 3.34Å; T329-L333 PolarHBondContact O-N 3.28Å; S330-L333 PolarHBondContact O-N 3.34Å; I331-L333 VanDerWaalsContact C-N 3.3Å; I331-L333 PolarHBondContact O-N 3.14Å |
| 334 | C | 94.2 | Very high | 93.8 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.034 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -84 | 144.6 | 175.9 | -165.5 | 0 | 0 | 0 | 0 | 111.4 | T188 S330 I331 N332 R339 L342 | T188-C334 HydrophobicContact CG2-CB 3.81Å; S330-C334 PolarHBondContact O-N 3.09Å; I331-C334 WeakPolarHBondContact O-CB 3.48Å; I331-C334 PolarHBondContact O-N 2.56Å; I331-C334 VanDerWaalsContact O-N 3.11Å; N332-C334 VanDerWaalsContact C-N 3.26Å; C334-R339 PolarHBondContact O-NE 3.03Å; C334-R339 PolarHBondContact O-NH2 3.3Å; C334-L342 HydrophobicContact CB-CD1 3.66Å |
| 335 | D | 92.8 | Very high | 93.8 | Very high | 112 Ų | 112 | 53.1 Ų | 53.1 | 60% | 0.599 | 30% | 0.3 | S | S | * | . | trans | -58.4 | 141.7 | 176.6 | -65.3 | -41.8 | 0 | 0 | 0 | 111.5 | E337 N338 R339 | D335-E337 HydrophobicContact CB-CG 4.32Å; D335-E337 PolarHBondContact O-N 3.41Å; D335-E337 VanDerWaalsContact O-N 3.08Å; D335-N338 PolarHBondContact O-N 3.07Å; D335-R339 PolarHBondContact O-N 2.89Å | ||
| 336 | N | 91.1 | Very high | 93.8 | Very high | 122 Ų | 122 | 51 Ų | 51 | 65% | 0.652 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -53.6 | -36.7 | -171.2 | -73.8 | -30.9 | 0 | 0 | 0 | 113.7 | N338 R339 | N336-N338 VanDerWaalsContact C-N 3.27Å; N336-N338 PolarHBondContact O-N 2.76Å; N336-R339 PolarHBondContact O-N 3.4Å; N336-R339 PolarHBondContact OD1-NE 2.93Å; N336-R339 PolarHBondContact OD1-NH1 2.72Å; N336-R339 PolarHBondContact OD1-NH2 3.17Å |
| 337 | E | 93.3 | Very high | 93.8 | Very high | 158 Ų | 158 | 51 Ų | 51 | 74% | 0.738 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.9 | -30.1 | -179.9 | 60.7 | -175.3 | -167.9 | 0 | 0 | 113.4 | D335 | D335-E337 HydrophobicContact CB-CG 4.32Å; D335-E337 PolarHBondContact O-N 3.41Å; D335-E337 VanDerWaalsContact O-N 3.08Å |
| 338 | N | 91.5 | Very high | 93.8 | Very high | 43 Ų | 43 | 51 Ų | 51 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -93.1 | -15.7 | -176 | -67.9 | -46.4 | 0 | 0 | 0 | 113.1 | L180 D335 N336 S340 S341 L342 | L180-N338 HydrophobicContact CD1-CB 3.76Å; L180-N338 HydrophobicContact CD2-CB 4.18Å; D335-N338 PolarHBondContact O-N 3.07Å; N336-N338 VanDerWaalsContact C-N 3.27Å; N336-N338 PolarHBondContact O-N 2.76Å; N338-S340 VanDerWaalsContact C-N 3.26Å; N338-S340 PolarHBondContact O-N 3.41Å; N338-S341 WeakPolarHBondContact O-CB 3.25Å; N338-S341 PolarHBondContact O-N 3.14Å; N338-S341 VanDerWaalsContact O-N 3.13Å; N338-L342 PolarHBondContact O-N 3.45Å |
| 339 | R | 92.7 | Very high | 93.9 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.2 | -35.6 | -177.1 | -67.8 | -176.6 | -177.1 | 173.5 | -0.9 | 113 | I331 N332 C334 D335 N336 S341 L342 Y343 | I331-R339 HydrophobicContact CG2-CB 4.38Å; I331-R339 HydrophobicContact CG2-CG 4.09Å; I331-R339 PolarHBondContact O-NE 3.24Å; N332-R339 PolarHBondContact O-NH2 3.41Å; C334-R339 PolarHBondContact O-NE 3.03Å; C334-R339 PolarHBondContact O-NH2 3.3Å; D335-R339 PolarHBondContact O-N 2.89Å; N336-R339 PolarHBondContact O-N 3.4Å; N336-R339 PolarHBondContact OD1-NE 2.93Å; N336-R339 PolarHBondContact OD1-NH1 2.72Å; N336-R339 PolarHBondContact OD1-NH2 3.17Å; R339-S341 VanDerWaalsContact C-N 3.3Å; R339-S341 PolarHBondContact O-N 3.28Å; R339-L342 WeakPolarHBondContact O-CB 3.27Å; R339-L342 PolarHBondContact O-N 3.46Å; R339-L342 VanDerWaalsContact O-N 3.1Å; R339-Y343 HydrophobicContact CB-CD2 4.25Å; R339-Y343 HydrophobicContact CB-CE2 3.92Å; R339-Y343 WeakPolarHBondContact O-CD2 3.21Å; R339-Y343 PolarHBondContact O-N 3.24Å |
| 340 | S | 89.9 | Confident | 93.8 | Very high | 93 Ų | 93 | 46.5 Ų | 46.5 | 65% | 0.65 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -58 | -43.1 | 178 | -167.8 | 0 | 0 | 0 | 0 | 111.8 | N338 L342 Y343 G344 | N338-S340 VanDerWaalsContact C-N 3.26Å; N338-S340 PolarHBondContact O-N 3.41Å; S340-L342 VanDerWaalsContact C-N 3.33Å; S340-L342 PolarHBondContact O-N 3.13Å; S340-Y343 PolarHBondContact O-N 3.44Å; S340-G344 PolarHBondContact O-N 3.1Å |
| 341 | S | 88.9 | Confident | 93.7 | Very high | 58 Ų | 58 | 48.2 Ų | 48.2 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 175.7 | -58.2 | 0 | 0 | 0 | 0 | 112 | N338 R339 G344 A345 | N338-S341 WeakPolarHBondContact O-CB 3.25Å; N338-S341 PolarHBondContact O-N 3.14Å; N338-S341 VanDerWaalsContact O-N 3.13Å; R339-S341 VanDerWaalsContact C-N 3.3Å; R339-S341 PolarHBondContact O-N 3.28Å; S341-G344 PolarHBondContact O-N 3.38Å; S341-A345 PolarHBondContact O-N 3.2Å |
| 342 | L | 90.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68 | -42.7 | 177.3 | -57.9 | -172.3 | 0 | 0 | 0 | 112.4 | L165 A178 L180 C334 N338 R339 S340 G344 A345 | L165-L342 HydrophobicContact CB-CB 4.2Å; L165-L342 HydrophobicContact CB-CD2 4.17Å; A178-L342 HydrophobicContact CB-CD1 3.92Å; A178-L342 HydrophobicContact CB-CD2 3.84Å; L180-L342 HydrophobicContact CD2-CD2 3.98Å; C334-L342 HydrophobicContact CB-CD1 3.66Å; N338-L342 PolarHBondContact O-N 3.45Å; R339-L342 WeakPolarHBondContact O-CB 3.27Å; R339-L342 PolarHBondContact O-N 3.46Å; R339-L342 VanDerWaalsContact O-N 3.1Å; S340-L342 VanDerWaalsContact C-N 3.33Å; S340-L342 PolarHBondContact O-N 3.13Å; L342-G344 PolarHBondContact O-N 2.77Å; L342-A345 CarbonylContact O-C 3.51Å; L342-A345 PolarHBondContact O-N 3.19Å |
| 343 | Y | 91.2 | Very high | 93.8 | Very high | 82 Ų | 82 | 43.9 Ų | 43.9 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.9 | -32.8 | 172.2 | -70.7 | -63.5 | 0 | 0 | 0 | 111.5 | I331 R339 S340 A345 K368 V369 K370 | I331-Y343 HydrophobicContact CD1-CD1 4.21Å; I331-Y343 HydrophobicContact CD1-CE1 3.84Å; I331-Y343 HydrophobicContact CG2-CE1 4.19Å; I331-Y343 HydrophobicContact CG2-CE2 4.11Å; R339-Y343 HydrophobicContact CB-CD2 4.25Å; R339-Y343 HydrophobicContact CB-CE2 3.92Å; R339-Y343 WeakPolarHBondContact O-CD2 3.21Å; R339-Y343 PolarHBondContact O-N 3.24Å; S340-Y343 PolarHBondContact O-N 3.44Å; Y343-A345 VanDerWaalsContact C-N 3.3Å; Y343-A345 PolarHBondContact O-N 3.31Å; Y343-K368 HydrophobicContact CD1-CB 4.31Å; Y343-K368 HydrophobicContact CE1-CB 4.45Å; Y343-V369 HydrophobicContact CD1-CG1 3.75Å; Y343-V369 HydrophobicContact CE1-CG1 4.32Å; Y343-V369 CarbonylContact O-C 3.56Å; Y343-V369 VanDerWaalsContact O-CA 3.26Å; Y343-V369 WeakPolarHBondContact O-CA 3.49Å; Y343-K370 PolarHBondContact O-N 2.92Å |
| 344 | G | 92.2 | Very high | 93.8 | Very high | 40 Ų | 40 | 42.6 Ų | 42.6 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -14.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S340 S341 L342 K370 | S340-G344 PolarHBondContact O-N 3.1Å; S341-G344 PolarHBondContact O-N 3.38Å; L342-G344 PolarHBondContact O-N 2.77Å; G344-K370 WeakPolarHBondContact O-CB 3.45Å |
| 345 | A | 95 | Very high | 93.8 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | trans | -157 | 86.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A164 L165 S341 L342 Y343 L372 | A164-A345 CarbonylContact C-O 3.46Å; A164-A345 WeakPolarHBondContact CA-O 3.22Å; A164-A345 HydrophobicContact CB-CB 3.99Å; A164-A345 WeakPolarHBondContact CB-O 3.45Å; L165-A345 PolarHBondContact N-O 3.28Å; S341-A345 PolarHBondContact O-N 3.2Å; L342-A345 CarbonylContact O-C 3.51Å; L342-A345 PolarHBondContact O-N 3.19Å; Y343-A345 VanDerWaalsContact C-N 3.3Å; Y343-A345 PolarHBondContact O-N 3.31Å; A345-L372 HydrophobicContact CB-CD1 3.76Å | ||
| 346 | L | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 104.6 | 165.7 | -178.1 | 75 | 0 | 0 | 0 | 108.8 | L165 V167 I327 L362 V369 K370 L371 L372 | L165-L346 HydrophobicContact CB-CD1 3.95Å; L165-L346 HydrophobicContact CD2-CD1 3.46Å; L165-L346 VanDerWaalsContact CD2-CD1 3.46Å; L165-L346 HydrophobicContact CG-CD1 3.67Å; L165-L346 CarbonylContact O-C 3.54Å; L165-L346 WeakPolarHBondContact O-CA 3.34Å; V167-L346 HydrophobicContact CG2-CD1 3.49Å; V167-L346 VanDerWaalsContact CG2-CD1 3.49Å; V167-L346 HydrophobicContact CG2-CG 4.19Å; I327-L346 HydrophobicContact CD1-CD1 4.26Å; I327-L346 HydrophobicContact CD1-CD2 3.83Å; I327-L346 HydrophobicContact CG1-CD1 4.21Å; I327-L346 HydrophobicContact CG2-CD1 4.05Å; L346-L362 HydrophobicContact CD2-CD2 4.14Å; L346-L362 HydrophobicContact CD2-CG 4.43Å; L346-V369 HydrophobicContact CB-CB 3.96Å; L346-V369 HydrophobicContact CB-CG2 3.67Å; L346-V369 HydrophobicContact CD2-CB 4.44Å; L346-V369 HydrophobicContact CD2-CG2 3.44Å; L346-V369 VanDerWaalsContact CD2-CG2 3.44Å; L346-V369 HydrophobicContact CG-CG2 4.13Å; L346-K370 PolarHBondContact N-O 3.4Å; L346-L371 HydrophobicContact CD2-CD1 3.77Å; L346-L371 HydrophobicContact CG-CD1 4.23Å; L346-L371 CarbonylContact O-C 3.57Å; L346-L371 WeakPolarHBondContact O-CA 3.46Å; L346-L372 PolarHBondContact O-N 3.08Å |
| 347 | L | 96.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 130.3 | -179.8 | 179.4 | 67.9 | 0 | 0 | 0 | 111.6 | A155 H159 A164 L165 V166 V167 L372 | A155-L347 VanDerWaalsContact C-CD2 3.41Å; A155-L347 HydrophobicContact CB-CD2 4.11Å; A155-L347 WeakPolarHBondContact O-CD2 3.2Å; H159-L347 HydrophobicContact CB-CD1 4.06Å; H159-L347 HydrophobicContact CB-CD2 4.46Å; H159-L347 WeakPolarHBondContact CD2-CD1 3.49Å; H159-L347 VanDerWaalsContact CE1-CD1 3.44Å; H159-L347 WeakPolarHBondContact CE1-CD1 3.18Å; H159-L347 VanDerWaalsContact ND1-CD1 3.33Å; H159-L347 WeakPolarHBondContact ND1-CD1 3.41Å; H159-L347 WeakPolarHBondContact NE2-CD1 3.26Å; A164-L347 HydrophobicContact CB-CB 4.41Å; L165-L347 PolarHBondContact O-N 2.6Å; V166-L347 CarbonylContact C-O 3.6Å; V166-L347 HydrophobicContact CG1-CD2 4.42Å; V166-L347 HydrophobicContact CG2-CB 4.4Å; V166-L347 HydrophobicContact CG2-CD2 4.18Å; V167-L347 PolarHBondContact N-O 3.46Å; L347-L372 CarbonylContact C-O 3.55Å; L347-L372 WeakPolarHBondContact CA-O 3.36Å; L347-L372 HydrophobicContact CD1-CB 4.09Å |
| 348 | V | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.4 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | V167 F358 L362 L371 L372 H373 | V167-V348 HydrophobicContact CB-CG2 4.3Å; V167-V348 CarbonylContact O-C 3.54Å; V167-V348 WeakPolarHBondContact O-CA 3.49Å; V348-F358 HydrophobicContact CG1-CE1 4Å; V348-L362 HydrophobicContact CG2-CD2 3.42Å; V348-L362 VanDerWaalsContact CG2-CD2 3.42Å; V348-L371 HydrophobicContact CG2-CD1 3.47Å; V348-L371 VanDerWaalsContact CG2-CD1 3.47Å; V348-L372 PolarHBondContact N-O 3.4Å; V348-H373 HydrophobicContact CB-CB 4.4Å |
| 349 | T | 96.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 177.4 | 174.3 | -168 | 0 | 0 | 0 | 0 | 111 | A155 V166 V167 D168 S169 R380 | A155-T349 HydrophobicContact CB-CG2 4.16Å; V166-T349 HydrophobicContact CG1-CG2 4.37Å; V167-T349 PolarHBondContact O-N 3.46Å; D168-T349 WeakPolarHBondContact CA-O 3.31Å; D168-T349 HydrophobicContact CB-CG2 3.75Å; S169-T349 PolarHBondContact N-O 3.33Å; T349-R380 WeakPolarHBondContact CA-O 3.42Å; T349-R380 PolarHBondContact OG1-O 3.15Å |
| 350 | G | 96.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 101.9 | 154.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D168 S169 N352 S353 R380 | D168-G350 WeakPolarHBondContact OD1-CA 3.41Å; S169-G350 CarbonylContact O-C 3.58Å; S169-G350 VanDerWaalsContact O-C 3.25Å; S169-G350 WeakPolarHBondContact O-CA 3.3Å; G350-N352 VanDerWaalsContact C-N 3.32Å; G350-N352 PolarHBondContact O-N 3.39Å; G350-S353 WeakPolarHBondContact O-CB 3.39Å; G350-S353 PolarHBondContact O-N 3.31Å; G350-S353 PolarHBondContact O-OG 3.31Å; G350-R380 PolarHBondContact N-O 3.47Å; G350-R380 VanDerWaalsContact N-O 3.08Å |
| 351 | G | 95.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 24.2 Ų | 24.2 | 37% | 0.371 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -65.9 | -30.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S169 S353 L354 | S169-G351 PolarHBondContact O-N 3.35Å; G351-S353 VanDerWaalsContact C-N 3.28Å; G351-S353 PolarHBondContact O-N 3.42Å; G351-L354 WeakPolarHBondContact O-CB 3.42Å; G351-L354 WeakPolarHBondContact O-CG 3.39Å; G351-L354 PolarHBondContact O-N 3.37Å |
| 352 | N | 95.2 | Very high | 95.2 | Very high | 9 Ų | 9 | 21.5 Ų | 21.5 | 5% | 0.048 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -75.9 | -19.7 | 179.3 | -169.6 | 63.4 | 0 | 0 | 0 | 112.1 | S169 G170 G350 L354 L355 | S169-N352 VanDerWaalsContact O-CB 3.24Å; S169-N352 WeakPolarHBondContact O-CB 3.29Å; S169-N352 PolarHBondContact O-N 2.77Å; S169-N352 PolarHBondContact OG-ND2 2.93Å; G170-N352 WeakPolarHBondContact O-CB 3.44Å; G350-N352 VanDerWaalsContact C-N 3.32Å; G350-N352 PolarHBondContact O-N 3.39Å; N352-L354 PolarHBondContact O-N 3.24Å; N352-L354 VanDerWaalsContact O-N 3.14Å; N352-L355 WeakPolarHBondContact O-CG 3.42Å; N352-L355 PolarHBondContact O-N 3.09Å; N352-L355 WeakPolarHBondContact OD1-CD1 3.39Å |
| 353 | S | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -70.7 | -1.7 | 171.6 | 95 | 0 | 0 | 0 | 0 | 113.4 | G350 G351 R380 | G350-S353 WeakPolarHBondContact O-CB 3.39Å; G350-S353 PolarHBondContact O-N 3.31Å; G350-S353 PolarHBondContact O-OG 3.31Å; G351-S353 VanDerWaalsContact C-N 3.28Å; G351-S353 PolarHBondContact O-N 3.42Å; S353-R380 WeakPolarHBondContact OG-CD 3.4Å |
| 354 | L | 95.8 | Very high | 95.6 | Very high | 61 Ų | 61 | 27.2 Ų | 27.2 | 32% | 0.319 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -85.1 | -7.5 | 175.5 | -56.3 | -173.2 | 0 | 0 | 0 | 113.5 | G351 N352 S356 T377 R380 R381 | G351-L354 WeakPolarHBondContact O-CB 3.42Å; G351-L354 WeakPolarHBondContact O-CG 3.39Å; G351-L354 PolarHBondContact O-N 3.37Å; N352-L354 PolarHBondContact O-N 3.24Å; N352-L354 VanDerWaalsContact O-N 3.14Å; L354-S356 PolarHBondContact O-N 3.38Å; L354-T377 HydrophobicContact CD2-CG2 4.45Å; L354-R380 HydrophobicContact CD2-CB 4.3Å; L354-R380 HydrophobicContact CD2-CG 4.41Å; L354-R381 HydrophobicContact CD1-CB 4.25Å |
| 355 | L | 95.6 | Very high | 95.6 | Very high | 18 Ų | 18 | 28.4 Ų | 28.4 | 9% | 0.094 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -56.8 | 134.5 | 172.6 | -70.4 | 170.6 | 0 | 0 | 0 | 110 | L264 V266 T302 L305 N352 G357 F358 | L264-L355 HydrophobicContact CB-CD2 4.04Å; V266-L355 HydrophobicContact CG2-CB 4.08Å; V266-L355 HydrophobicContact CG2-CD1 4.39Å; T302-L355 HydrophobicContact CG2-CD1 4.23Å; L305-L355 HydrophobicContact CD1-CD1 4.11Å; N352-L355 WeakPolarHBondContact O-CG 3.42Å; N352-L355 PolarHBondContact O-N 3.09Å; N352-L355 WeakPolarHBondContact OD1-CD1 3.39Å; L355-G357 PolarHBondContact O-N 3.18Å; L355-F358 HydrophobicContact CB-CB 4.27Å; L355-F358 WeakPolarHBondContact O-CB 3.5Å; L355-F358 PolarHBondContact O-N 3.37Å; L355-F358 VanDerWaalsContact O-N 3.14Å |
| 356 | S | 95.2 | Very high | 95.2 | Very high | 74 Ų | 74 | 28.9 Ų | 28.9 | 52% | 0.517 | 16% | 0.158 | S | C | . | . | B | Isolated β-bridge | trans | -59 | 132.6 | 177.4 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | V266 L354 F358 | V266-S356 PolarHBondContact N-O 3.26Å; L354-S356 PolarHBondContact O-N 3.38Å; S356-F358 VanDerWaalsContact C-N 3.31Å; S356-F358 PolarHBondContact O-N 3.49Å |
| 357 | G | 95.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -4.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D268 L355 T359 E360 R361 | D268-G357 WeakPolarHBondContact OD1-CA 3.44Å; L355-G357 PolarHBondContact O-N 3.18Å; G357-T359 PolarHBondContact O-N 2.62Å; G357-E360 VanDerWaalsContact C-OE2 3.29Å; G357-E360 VanDerWaalsContact CA-OE2 3.26Å; G357-E360 WeakPolarHBondContact CA-OE2 3.33Å; G357-E360 PolarHBondContact O-N 2.83Å; G357-R361 WeakPolarHBondContact O-CB 3.41Å; G357-R361 PolarHBondContact O-N 3.02Å |
| 358 | F | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | -175.7 | -175.1 | -79.4 | 0 | 0 | 0 | 112.2 | V266 L305 F306 I323 V348 L355 S356 L362 | V266-F358 HydrophobicContact CG2-CB 4.25Å; V266-F358 HydrophobicContact CG2-CD2 4.39Å; L305-F358 HydrophobicContact CD1-CE2 4.27Å; F306-F358 HydrophobicContact CE2-CD2 4.46Å; F306-F358 HydrophobicContact CZ-CD2 4.25Å; F306-F358 HydrophobicContact CZ-CE2 4.31Å; I323-F358 HydrophobicContact CD1-CE2 3.6Å; I323-F358 HydrophobicContact CD1-CZ 3.59Å; V348-F358 HydrophobicContact CG1-CE1 4Å; L355-F358 HydrophobicContact CB-CB 4.27Å; L355-F358 WeakPolarHBondContact O-CB 3.5Å; L355-F358 PolarHBondContact O-N 3.37Å; L355-F358 VanDerWaalsContact O-N 3.14Å; S356-F358 VanDerWaalsContact C-N 3.31Å; S356-F358 PolarHBondContact O-N 3.49Å; F358-L362 HydrophobicContact CE1-CD2 4.42Å; F358-L362 WeakPolarHBondContact O-CB 3.46Å; F358-L362 PolarHBondContact O-N 3.38Å; F358-L362 VanDerWaalsContact O-N 3.1Å |
| 359 | T | 95.2 | Very high | 93.5 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.5 | -36.9 | -178.8 | 36 | 0 | 0 | 0 | 0 | 112.2 | G357 L362 N363 L371 | G357-T359 PolarHBondContact O-N 2.62Å; T359-L362 PolarHBondContact O-N 3.09Å; T359-N363 WeakPolarHBondContact O-CB 3.44Å; T359-N363 PolarHBondContact O-N 3.42Å; T359-L371 HydrophobicContact CG2-CD2 4.27Å; T359-L371 VanDerWaalsContact O-CD2 3.25Å; T359-L371 WeakPolarHBondContact O-CD2 3.34Å |
| 360 | E | 95.6 | Very high | 93.3 | Very high | 95 Ų | 95 | 49 Ų | 49 | 44% | 0.444 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.4 | -50.2 | 177.9 | -68.9 | 72.3 | -167.8 | 0 | 0 | 110.3 | D268 G357 L362 N363 Y364 | D268-E360 HydrophobicContact CB-CB 3.99Å; G357-E360 VanDerWaalsContact C-OE2 3.29Å; G357-E360 VanDerWaalsContact CA-OE2 3.26Å; G357-E360 WeakPolarHBondContact CA-OE2 3.33Å; G357-E360 PolarHBondContact O-N 2.83Å; E360-L362 VanDerWaalsContact C-N 3.33Å; E360-L362 PolarHBondContact O-N 3.37Å; E360-N363 PolarHBondContact O-N 3.21Å; E360-Y364 PolarHBondContact O-N 3.45Å |
| 361 | R | 96.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.011 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.4 | -43 | 174.3 | -179 | 49.9 | 177.2 | -79.8 | -3.9 | 112.7 | V266 S267 D268 T269 E303 F306 G357 N363 Y364 E365 | V266-R361 HydrophobicContact CG1-CB 3.49Å; V266-R361 VanDerWaalsContact CG1-CB 3.49Å; V266-R361 HydrophobicContact CG1-CG 3.77Å; S267-R361 VanDerWaalsContact O-CB 3.27Å; S267-R361 WeakPolarHBondContact O-CB 3.27Å; S267-R361 WeakPolarHBondContact O-CD 3.47Å; S267-R361 WeakPolarHBondContact O-CG 3.46Å; D268-R361 WeakPolarHBondContact O-CA 3.35Å; T269-R361 PolarHBondContact O-NH1 3.41Å; E303-R361 VanDerWaalsContact CD-NH1 3.3Å; E303-R361 IonicContact OE1-CZ 2.66Å; E303-R361 IonicContact OE1-NH1 3.78Å; E303-R361 PolarHBondContact OE1-NH1 2.82Å; E303-R361 VanDerWaalsContact OE1-NH1 3.13Å; E303-R361 IonicContact OE1-NH2 3.19Å; E303-R361 PolarHBondContact OE1-NH2 3.1Å; E303-R361 IonicContact OE2-CZ 2.6Å; E303-R361 IonicContact OE2-NH1 2.75Å; E303-R361 PolarHBondContact OE2-NH1 3.31Å; E303-R361 IonicContact OE2-NH2 2.79Å; F306-R361 HydrophobicContact CD1-CG 3.6Å; F306-R361 HydrophobicContact CD2-CG 3.85Å; F306-R361 HydrophobicContact CE1-CB 4.19Å; F306-R361 HydrophobicContact CE1-CG 3.57Å; F306-R361 HydrophobicContact CE2-CB 4.35Å; F306-R361 HydrophobicContact CE2-CG 3.86Å; F306-R361 HydrophobicContact CG-CG 3.73Å; F306-R361 HydrophobicContact CZ-CB 4.03Å; F306-R361 HydrophobicContact CZ-CG 3.71Å; G357-R361 WeakPolarHBondContact O-CB 3.41Å; G357-R361 PolarHBondContact O-N 3.02Å; R361-N363 VanDerWaalsContact C-N 3.31Å; R361-N363 PolarHBondContact O-N 3.44Å; R361-Y364 WeakPolarHBondContact O-CB 3.25Å; R361-Y364 PolarHBondContact O-N 3.2Å; R361-E365 IonicContact CZ-OE1 3.49Å; R361-E365 IonicContact NE-OE1 3.37Å; R361-E365 PolarHBondContact NE-OE1 3.18Å; R361-E365 IonicContact NH2-OE1 3.7Å; R361-E365 PolarHBondContact NH2-OE1 2.99Å; R361-E365 PolarHBondContact O-N 3.09Å |
| 362 | L | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | -180 | -163.7 | 67.9 | 0 | 0 | 0 | 111.7 | F306 I323 I327 L346 V348 F358 T359 E360 E365 N366 L371 | F306-L362 HydrophobicContact CE1-CB 4.46Å; F306-L362 HydrophobicContact CE1-CD1 3.95Å; I323-L362 HydrophobicContact CG2-CD1 3.66Å; I327-L362 HydrophobicContact CD1-CD1 3.57Å; I327-L362 HydrophobicContact CD1-CD2 4.26Å; I327-L362 HydrophobicContact CD1-CG 4.19Å; L346-L362 HydrophobicContact CD2-CD2 4.14Å; L346-L362 HydrophobicContact CD2-CG 4.43Å; V348-L362 HydrophobicContact CG2-CD2 3.42Å; V348-L362 VanDerWaalsContact CG2-CD2 3.42Å; F358-L362 HydrophobicContact CE1-CD2 4.42Å; F358-L362 WeakPolarHBondContact O-CB 3.46Å; F358-L362 PolarHBondContact O-N 3.38Å; F358-L362 VanDerWaalsContact O-N 3.1Å; T359-L362 PolarHBondContact O-N 3.09Å; E360-L362 VanDerWaalsContact C-N 3.33Å; E360-L362 PolarHBondContact O-N 3.37Å; L362-E365 PolarHBondContact O-N 3.48Å; L362-N366 WeakPolarHBondContact O-CB 3.23Å; L362-N366 PolarHBondContact O-N 3.33Å; L362-N366 PolarHBondContact O-ND2 2.92Å; L362-L371 HydrophobicContact CD2-CD1 3.72Å; L362-L371 HydrophobicContact CG-CD1 4.36Å |
| 363 | N | 94.2 | Very high | 93.3 | Very high | 83 Ų | 83 | 52.6 Ų | 52.6 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.1 | -37.3 | 174.4 | -168.3 | 61.8 | 0 | 0 | 0 | 111.9 | T359 E360 R361 V367 L371 | T359-N363 WeakPolarHBondContact O-CB 3.44Å; T359-N363 PolarHBondContact O-N 3.42Å; E360-N363 PolarHBondContact O-N 3.21Å; R361-N363 VanDerWaalsContact C-N 3.31Å; R361-N363 PolarHBondContact O-N 3.44Å; N363-V367 PolarHBondContact O-N 3.34Å; N363-L371 HydrophobicContact CB-CD2 4.08Å |
| 364 | Y | 94.6 | Very high | 93.1 | Very high | 120 Ų | 120 | 52.9 Ų | 52.9 | 47% | 0.471 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 174.3 | 172.3 | -94.2 | 0 | 0 | 0 | 112.6 | D268 T269 A270 E360 R361 V367 | D268-Y364 VanDerWaalsContact O-CB 3.28Å; D268-Y364 WeakPolarHBondContact O-CB 3.37Å; T269-Y364 HydrophobicContact CG2-CD2 3.81Å; T269-Y364 HydrophobicContact CG2-CE2 3.77Å; T269-Y364 HydrophobicContact CG2-CG 4.35Å; A270-Y364 HydrophobicContact CB-CE1 4.29Å; E360-Y364 PolarHBondContact O-N 3.45Å; R361-Y364 WeakPolarHBondContact O-CB 3.25Å; R361-Y364 PolarHBondContact O-N 3.2Å; Y364-V367 VanDerWaalsContact O-CG1 3.32Å; Y364-V367 WeakPolarHBondContact O-CG1 3.16Å |
| 365 | E | 92.5 | Very high | 92.7 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -77.1 | -25.5 | -178.8 | -69.1 | -164.8 | 174 | 0 | 0 | 113.5 | S324 R361 L362 | S324-E365 WeakPolarHBondContact CB-OE2 3.44Å; S324-E365 VanDerWaalsContact OG-CB 3.3Å; S324-E365 WeakPolarHBondContact OG-CB 3.39Å; S324-E365 PolarHBondContact OG-OE2 3.06Å; R361-E365 IonicContact CZ-OE1 3.49Å; R361-E365 IonicContact NE-OE1 3.37Å; R361-E365 PolarHBondContact NE-OE1 3.18Å; R361-E365 IonicContact NH2-OE1 3.7Å; R361-E365 PolarHBondContact NH2-OE1 2.99Å; R361-E365 PolarHBondContact O-N 3.09Å; L362-E365 PolarHBondContact O-N 3.48Å |
| 366 | N | 88 | Confident | 92.5 | Very high | 14 Ų | 14 | 56.9 Ų | 56.9 | 8% | 0.075 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 41.6 | -172.9 | -59.2 | -89.1 | 0 | 0 | 0 | 112.5 | S324 L362 K368 V369 | S324-N366 PolarHBondContact OG-ND2 2.9Å; L362-N366 WeakPolarHBondContact O-CB 3.23Å; L362-N366 PolarHBondContact O-N 3.33Å; L362-N366 PolarHBondContact O-ND2 2.92Å; N366-K368 PolarHBondContact O-N 3.42Å; N366-V369 HydrophobicContact CB-CG1 4.36Å; N366-V369 HydrophobicContact CB-CG2 3.59Å; N366-V369 WeakPolarHBondContact O-CG2 3.49Å; N366-V369 PolarHBondContact O-N 2.93Å |
| 367 | V | 78.9 | Confident | 92.3 | Very high | 116 Ų | 116 | 57.5 Ų | 57.5 | 70% | 0.703 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -19 | -174.7 | -60.5 | 0 | 0 | 0 | 0 | 117 | N363 Y364 | N363-V367 PolarHBondContact O-N 3.34Å; Y364-V367 VanDerWaalsContact O-CG1 3.32Å; Y364-V367 WeakPolarHBondContact O-CG1 3.16Å |
| 368 | K | 85.1 | Confident | 91.9 | Very high | 175 Ų | 175 | 60.9 Ų | 60.9 | 76% | 0.761 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -12.1 | 177.7 | -62.6 | -177.1 | -173.4 | 177.1 | 0 | 113.6 | Y343 N366 | Y343-K368 HydrophobicContact CD1-CB 4.31Å; Y343-K368 HydrophobicContact CE1-CB 4.45Å; N366-K368 PolarHBondContact O-N 3.42Å |
| 369 | V | 88.3 | Confident | 91.6 | Very high | 11 Ų | 11 | 65.1 Ų | 65.1 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -101.7 | 144.2 | 178.3 | -49.1 | 0 | 0 | 0 | 0 | 110 | I331 Y343 L346 N366 L371 | I331-V369 HydrophobicContact CD1-CG1 4.11Å; Y343-V369 HydrophobicContact CD1-CG1 3.75Å; Y343-V369 HydrophobicContact CE1-CG1 4.32Å; Y343-V369 CarbonylContact O-C 3.56Å; Y343-V369 VanDerWaalsContact O-CA 3.26Å; Y343-V369 WeakPolarHBondContact O-CA 3.49Å; L346-V369 HydrophobicContact CB-CB 3.96Å; L346-V369 HydrophobicContact CB-CG2 3.67Å; L346-V369 HydrophobicContact CD2-CB 4.44Å; L346-V369 HydrophobicContact CD2-CG2 3.44Å; L346-V369 VanDerWaalsContact CD2-CG2 3.44Å; L346-V369 HydrophobicContact CG-CG2 4.13Å; N366-V369 HydrophobicContact CB-CG1 4.36Å; N366-V369 HydrophobicContact CB-CG2 3.59Å; N366-V369 WeakPolarHBondContact O-CG2 3.49Å; N366-V369 PolarHBondContact O-N 2.93Å; V369-L371 PolarHBondContact O-N 3.45Å |
| 370 | K | 94.2 | Very high | 91.5 | Very high | 126 Ų | 126 | 65.9 Ų | 65.9 | 55% | 0.548 | 33% | 0.334 | S | S | . | . | trans | -85.8 | 104.6 | 168.3 | -177.5 | 178.1 | -178.3 | 176.6 | 0 | 108.9 | Y343 G344 L346 L372 | Y343-K370 PolarHBondContact O-N 2.92Å; G344-K370 WeakPolarHBondContact O-CB 3.45Å; L346-K370 PolarHBondContact N-O 3.4Å; K370-L372 HydrophobicContact CD-CD2 4.46Å; K370-L372 HydrophobicContact CG-CD2 4.29Å | ||
| 371 | L | 94.9 | Very high | 91.4 | Very high | 29 Ų | 29 | 64.9 Ų | 64.9 | 15% | 0.152 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 132.1 | 176 | -171.3 | 70.7 | 0 | 0 | 0 | 111.2 | L346 V348 T359 L362 N363 V369 | L346-L371 HydrophobicContact CD2-CD1 3.77Å; L346-L371 HydrophobicContact CG-CD1 4.23Å; L346-L371 CarbonylContact O-C 3.57Å; L346-L371 WeakPolarHBondContact O-CA 3.46Å; V348-L371 HydrophobicContact CG2-CD1 3.47Å; V348-L371 VanDerWaalsContact CG2-CD1 3.47Å; T359-L371 HydrophobicContact CG2-CD2 4.27Å; T359-L371 VanDerWaalsContact O-CD2 3.25Å; T359-L371 WeakPolarHBondContact O-CD2 3.34Å; L362-L371 HydrophobicContact CD2-CD1 3.72Å; L362-L371 HydrophobicContact CG-CD1 4.36Å; N363-L371 HydrophobicContact CB-CD2 4.08Å; V369-L371 PolarHBondContact O-N 3.45Å |
| 372 | L | 95.3 | Very high | 91.2 | Very high | 31 Ų | 31 | 65 Ų | 65 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.4 | 174.5 | -56.7 | 177.9 | 0 | 0 | 0 | 108.6 | A345 L346 L347 V348 K370 | A345-L372 HydrophobicContact CB-CD1 3.76Å; L346-L372 PolarHBondContact O-N 3.08Å; L347-L372 CarbonylContact C-O 3.55Å; L347-L372 WeakPolarHBondContact CA-O 3.36Å; L347-L372 HydrophobicContact CD1-CB 4.09Å; V348-L372 PolarHBondContact N-O 3.4Å; K370-L372 HydrophobicContact CD-CD2 4.46Å; K370-L372 HydrophobicContact CG-CD2 4.29Å |
| 373 | H | 94.5 | Very high | 91.1 | Very high | 67 Ų | 67 | 65 Ų | 65 | 31% | 0.31 | 33% | 0.328 | S | S | . | . | trans | -158.4 | 156.8 | 170.3 | 62.7 | 83.9 | 0 | 0 | 0 | 109 | V348 | V348-H373 HydrophobicContact CB-CB 4.4Š| ||
| 374 | S | 93.1 | Very high | 91.2 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 4% | 0.035 | 31% | 0.31 | C | S | . | . | trans | -68 | 139.5 | 170.6 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | H159 S376 E379 | H159-S374 PolarHBondContact NE2-N 3.25Å; H159-S374 VanDerWaalsContact NE2-N 3.15Å; S374-S376 VanDerWaalsContact C-N 3.27Å; S374-S376 PolarHBondContact OG-N 3.3Å; S374-S376 VanDerWaalsContact OG-N 3.09Å; S374-E379 WeakPolarHBondContact CB-OE2 3.32Å; S374-E379 VanDerWaalsContact OG-CB 3.27Å; S374-E379 WeakPolarHBondContact OG-CB 3.42Å; S374-E379 PolarHBondContact OG-OE2 2.75Å | ||
| 375 | P | 87.8 | Confident | 91.4 | Very high | 119 Ų | 119 | 55.8 Ų | 55.8 | 77% | 0.773 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -71.3 | -24 | 171 | 30 | -35.1 | 0 | 0 | 0 | 112.4 | ||
| 376 | S | 91.2 | Very high | 91.5 | Very high | 44 Ų | 44 | 53.7 Ų | 53.7 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -77.5 | 126.4 | 176.1 | 173.9 | 0 | 0 | 0 | 0 | 109.8 | S374 L378 E379 R380 | S374-S376 VanDerWaalsContact C-N 3.27Å; S374-S376 PolarHBondContact OG-N 3.3Å; S374-S376 VanDerWaalsContact OG-N 3.09Å; S376-L378 PolarHBondContact O-N 3.36Å; S376-L378 PolarHBondContact OG-N 3.3Å; S376-E379 PolarHBondContact O-N 3Å; S376-R380 WeakPolarHBondContact O-CB 3.44Å; S376-R380 PolarHBondContact O-N 3.13Å |
| 377 | T | 90.6 | Very high | 91.9 | Very high | 88 Ų | 88 | 53 Ų | 53 | 54% | 0.54 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.3 | -32.8 | 175.9 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | L354 R381 | L354-T377 HydrophobicContact CD2-CG2 4.45Å; T377-R381 VanDerWaalsContact O-CB 3.25Å; T377-R381 WeakPolarHBondContact O-CB 3.38Å; T377-R381 PolarHBondContact O-N 3.31Å; T377-R381 VanDerWaalsContact O-N 3.09Å |
| 378 | L | 87.9 | Confident | 92.7 | Very high | 76 Ų | 76 | 47.5 Ų | 47.5 | 40% | 0.398 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.6 | -53.5 | 179.4 | -163.4 | 70.7 | 0 | 0 | 0 | 111.3 | A27 S376 R380 R381 F382 | A27-L378 HydrophobicContact CB-CD2 3.71Å; S376-L378 PolarHBondContact O-N 3.36Å; S376-L378 PolarHBondContact OG-N 3.3Å; L378-R380 PolarHBondContact O-N 3.42Å; L378-R381 PolarHBondContact O-N 3.24Å; L378-F382 HydrophobicContact CD1-CD2 3.74Å; L378-F382 HydrophobicContact CD1-CE2 3.22Å; L378-F382 HydrophobicContact CD1-CZ 4.08Å; L378-F382 HydrophobicContact CG-CD2 3.76Å; L378-F382 HydrophobicContact CG-CE2 3.8Å; L378-F382 WeakPolarHBondContact O-CB 3.27Å; L378-F382 WeakPolarHBondContact O-CD2 3.27Å; L378-F382 WeakPolarHBondContact O-CG 3.45Å; L378-F382 PolarHBondContact O-N 2.94Å |
| 379 | E | 89.1 | Confident | 93.2 | Very high | 90 Ų | 90 | 39.3 Ų | 39.3 | 42% | 0.421 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 179.4 | -69 | 171.5 | -164.6 | 0 | 0 | 111.9 | S374 S376 R381 F382 G383 | S374-E379 WeakPolarHBondContact CB-OE2 3.32Å; S374-E379 VanDerWaalsContact OG-CB 3.27Å; S374-E379 WeakPolarHBondContact OG-CB 3.42Å; S374-E379 PolarHBondContact OG-OE2 2.75Å; S376-E379 PolarHBondContact O-N 3Å; E379-R381 VanDerWaalsContact C-N 3.3Å; E379-R381 PolarHBondContact O-N 3.22Å; E379-F382 CarbonylContact O-C 3.53Å; E379-F382 PolarHBondContact O-N 3.25Å; E379-G383 VanDerWaalsContact O-CA 3.31Å; E379-G383 WeakPolarHBondContact O-CA 3.42Å; E379-G383 PolarHBondContact O-N 3.34Å |
| 380 | R | 93.3 | Very high | 93.5 | Very high | 26 Ų | 26 | 42 Ų | 42 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -36.7 | 176.9 | -169.5 | 169.3 | 63.8 | -165.5 | 1.8 | 111.6 | T349 G350 S353 L354 S376 L378 | T349-R380 WeakPolarHBondContact CA-O 3.42Å; T349-R380 PolarHBondContact OG1-O 3.15Å; G350-R380 PolarHBondContact N-O 3.47Å; G350-R380 VanDerWaalsContact N-O 3.08Å; S353-R380 WeakPolarHBondContact OG-CD 3.4Å; L354-R380 HydrophobicContact CD2-CB 4.3Å; L354-R380 HydrophobicContact CD2-CG 4.41Å; S376-R380 WeakPolarHBondContact O-CB 3.44Å; S376-R380 PolarHBondContact O-N 3.13Å; L378-R380 PolarHBondContact O-N 3.42Å |
| 381 | R | 93.2 | Very high | 93.5 | Very high | 74 Ų | 74 | 37 Ų | 37 | 28% | 0.279 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.8 | -35.5 | 174.8 | -173.2 | -178.3 | 171.2 | -172.5 | -6.2 | 112.4 | D31 L354 T377 L378 E379 | D31-R381 IonicContact OD1-NH2 3.29Å; D31-R381 IonicContact OD2-CZ 2.91Å; D31-R381 IonicContact OD2-NH1 2.7Å; D31-R381 PolarHBondContact OD2-NH1 3.27Å; D31-R381 IonicContact OD2-NH2 3.82Å; D31-R381 PolarHBondContact OD2-NH2 2.95Å; L354-R381 HydrophobicContact CD1-CB 4.25Å; T377-R381 VanDerWaalsContact O-CB 3.25Å; T377-R381 WeakPolarHBondContact O-CB 3.38Å; T377-R381 PolarHBondContact O-N 3.31Å; T377-R381 VanDerWaalsContact O-N 3.09Å; L378-R381 PolarHBondContact O-N 3.24Å; E379-R381 VanDerWaalsContact C-N 3.3Å; E379-R381 PolarHBondContact O-N 3.22Å |
| 382 | F | 92.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 24.3 | -171.2 | -57.1 | -30.2 | 0 | 0 | 0 | 113.8 | R19 P28 D31 L378 E379 A384 W385 T386 | R19-F382 HydrophobicContact CG-CD1 3.96Å; R19-F382 HydrophobicContact CG-CE1 3.87Å; R19-F382 HydrophobicContact CG-CZ 4.48Å; P28-F382 HydrophobicContact CG-CD2 3.62Å; P28-F382 HydrophobicContact CG-CE2 3.54Å; P28-F382 HydrophobicContact CG-CG 4.29Å; P28-F382 HydrophobicContact CG-CZ 4.21Å; D31-F382 HydrophobicContact CB-CZ 4.21Å; L378-F382 HydrophobicContact CD1-CD2 3.74Å; L378-F382 HydrophobicContact CD1-CE2 3.22Å; L378-F382 HydrophobicContact CD1-CZ 4.08Å; L378-F382 HydrophobicContact CG-CD2 3.76Å; L378-F382 HydrophobicContact CG-CE2 3.8Å; L378-F382 WeakPolarHBondContact O-CB 3.27Å; L378-F382 WeakPolarHBondContact O-CD2 3.27Å; L378-F382 WeakPolarHBondContact O-CG 3.45Å; L378-F382 PolarHBondContact O-N 2.94Å; E379-F382 CarbonylContact O-C 3.53Å; E379-F382 PolarHBondContact O-N 3.25Å; F382-A384 VanDerWaalsContact C-N 3.26Å; F382-A384 PolarHBondContact O-N 3.4Å; F382-A384 VanDerWaalsContact O-N 3.1Å; F382-W385 HydrophobicContact CB-CB 4.32Å; F382-W385 WeakPolarHBondContact O-CA 3.28Å; F382-W385 WeakPolarHBondContact O-CB 3.39Å; F382-W385 PolarHBondContact O-N 2.95Å; F382-T386 PolarHBondContact O-N 2.7Å; F382-T386 PolarHBondContact O-OG1 3.04Å |
| 383 | G | 93.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.4 | -39.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A158 E379 G387 | A158-G383 WeakPolarHBondContact CB-O 3.49Å; E379-G383 VanDerWaalsContact O-CA 3.31Å; E379-G383 WeakPolarHBondContact O-CA 3.42Å; E379-G383 PolarHBondContact O-N 3.34Å; G383-G387 PolarHBondContact O-N 3.08Å |
| 384 | A | 96.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 7% | 0.066 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | T120 L154 F382 G387 G388 | T120-A384 HydrophobicContact CG2-CB 4.3Å; L154-A384 VanDerWaalsContact CB-O 3.27Å; L154-A384 WeakPolarHBondContact CB-O 3.29Å; L154-A384 WeakPolarHBondContact CD1-O 3.3Å; F382-A384 VanDerWaalsContact C-N 3.26Å; F382-A384 PolarHBondContact O-N 3.4Å; F382-A384 VanDerWaalsContact O-N 3.1Å; A384-G387 PolarHBondContact O-N 3.16Å; A384-G388 PolarHBondContact O-N 3.31Å |
| 385 | W | 97.6 | Very high | 93 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.5 | -46.5 | 176.6 | -176.1 | 89.5 | 0 | 0 | 0 | 111.6 | V10 D12 R19 D25 A27 P28 F382 G387 G388 S389 | V10-W385 HydrophobicContact CG1-CG 4.3Å; V10-W385 PolarHBondContact O-NE1 3.22Å; V10-W385 VanDerWaalsContact O-NE1 3.15Å; D12-W385 HydrophobicContact CB-CB 3.78Å; D12-W385 HydrophobicContact CB-CG 4.3Å; R19-W385 HydrophobicContact CB-CG 4.31Å; D25-W385 HydrophobicContact CB-CH2 3.98Å; D25-W385 WeakPolarHBondContact O-CH2 3.46Å; A27-W385 VanDerWaalsContact CA-CZ3 3.44Å; A27-W385 WeakPolarHBondContact O-CH2 3.37Å; P28-W385 VanDerWaalsContact CA-CZ2 3.47Å; P28-W385 HydrophobicContact CB-CD2 3.87Å; P28-W385 HydrophobicContact CB-CE3 4.34Å; P28-W385 HydrophobicContact CB-CG 4.3Å; P28-W385 HydrophobicContact CB-CZ2 4.09Å; P28-W385 HydrophobicContact CG-CD2 4.31Å; P28-W385 HydrophobicContact CG-CE3 4.42Å; F382-W385 HydrophobicContact CB-CB 4.32Å; F382-W385 WeakPolarHBondContact O-CA 3.28Å; F382-W385 WeakPolarHBondContact O-CB 3.39Å; F382-W385 PolarHBondContact O-N 2.95Å; W385-G387 VanDerWaalsContact C-N 3.31Å; W385-G387 PolarHBondContact O-N 3.33Å; W385-G388 CarbonylContact O-C 3.58Å; W385-G388 WeakPolarHBondContact O-CA 3.36Å; W385-G388 PolarHBondContact O-N 2.98Å; W385-S389 PolarHBondContact O-N 3.36Å |
| 386 | T | 95.7 | Very high | 93 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 177.3 | -59 | 0 | 0 | 0 | 0 | 111 | A158 F382 G388 S389 I390 | A158-T386 HydrophobicContact CB-CG2 4.14Å; F382-T386 PolarHBondContact O-N 2.7Å; F382-T386 PolarHBondContact O-OG1 3.04Å; T386-G388 VanDerWaalsContact C-N 3.32Å; T386-G388 PolarHBondContact O-N 3.25Å; T386-S389 PolarHBondContact O-N 3.46Å; T386-I390 HydrophobicContact CG2-CD1 4.07Å; T386-I390 WeakPolarHBondContact O-CG1 3.41Å; T386-I390 PolarHBondContact O-N 2.6Å |
| 387 | G | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L154 G383 A384 W385 L391 | L154-G387 VanDerWaalsContact O-CA 3.25Å; L154-G387 WeakPolarHBondContact O-CA 2.79Å; G383-G387 PolarHBondContact O-N 3.08Å; A384-G387 PolarHBondContact O-N 3.16Å; W385-G387 VanDerWaalsContact C-N 3.31Å; W385-G387 PolarHBondContact O-N 3.33Å; G387-L391 WeakPolarHBondContact O-CB 3.39Å; G387-L391 PolarHBondContact O-N 2.95Å |
| 388 | G | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A384 W385 T386 L391 S392 | A384-G388 PolarHBondContact O-N 3.31Å; W385-G388 CarbonylContact O-C 3.58Å; W385-G388 WeakPolarHBondContact O-CA 3.36Å; W385-G388 PolarHBondContact O-N 2.98Å; T386-G388 VanDerWaalsContact C-N 3.32Å; T386-G388 PolarHBondContact O-N 3.25Å; G388-L391 PolarHBondContact O-N 2.79Å; G388-S392 VanDerWaalsContact O-CB 3.31Å; G388-S392 WeakPolarHBondContact O-CB 3.22Å; G388-S392 PolarHBondContact O-N 2.91Å; G388-S392 PolarHBondContact O-OG 3.29Å |
| 389 | S | 95.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 176 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | G24 D25 W385 T386 S392 S393 | G24-S389 PolarHBondContact N-O 3.13Å; G24-S389 PolarHBondContact N-OG 3.33Å; D25-S389 PolarHBondContact N-OG 2.97Å; D25-S389 PolarHBondContact O-OG 3.48Å; W385-S389 PolarHBondContact O-N 3.36Å; T386-S389 PolarHBondContact O-N 3.46Å; S389-S392 PolarHBondContact O-OG 3.25Å; S389-S393 WeakPolarHBondContact O-CB 3.33Å; S389-S393 PolarHBondContact O-N 2.85Å; S389-S393 PolarHBondContact O-OG 3.42Å |
| 390 | I | 94.3 | Very high | 92.9 | Very high | 69 Ų | 69 | 43.6 Ų | 43.6 | 35% | 0.354 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.1 | -53.6 | 175.6 | -66.1 | 164.2 | 0 | 0 | 0 | 110 | T386 S392 S393 L394 | T386-I390 HydrophobicContact CG2-CD1 4.07Å; T386-I390 WeakPolarHBondContact O-CG1 3.41Å; T386-I390 PolarHBondContact O-N 2.6Å; I390-S392 PolarHBondContact O-N 3.4Å; I390-S393 PolarHBondContact O-N 2.81Å; I390-S393 PolarHBondContact O-OG 3.17Å; I390-L394 WeakPolarHBondContact O-CG 3.29Å |
| 391 | L | 94.2 | Very high | 92.9 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | -174.8 | -176.2 | 64 | 0 | 0 | 0 | 112.4 | L118 L154 Y157 G387 G388 S393 L394 F397 | L118-L391 HydrophobicContact CD1-CD2 4.39Å; L154-L391 HydrophobicContact CD2-CB 4.36Å; L154-L391 HydrophobicContact CD2-CD2 3.63Å; Y157-L391 HydrophobicContact CE2-CD1 4.5Å; G387-L391 WeakPolarHBondContact O-CB 3.39Å; G387-L391 PolarHBondContact O-N 2.95Å; G388-L391 PolarHBondContact O-N 2.79Å; L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 3.27Å; L391-L394 PolarHBondContact O-N 3.18Å; L391-F397 HydrophobicContact CD1-CD2 3.59Å; L391-F397 HydrophobicContact CD1-CE2 3.91Å; L391-F397 HydrophobicContact CD1-CG 4.18Å; L391-F397 HydrophobicContact CD2-CD2 4.16Å; L391-F397 HydrophobicContact CD2-CE2 3.6Å; L391-F397 HydrophobicContact CD2-CZ 3.85Å; L391-F397 HydrophobicContact CG-CD1 4.37Å; L391-F397 HydrophobicContact CG-CD2 3.64Å; L391-F397 HydrophobicContact CG-CE1 4.32Å; L391-F397 HydrophobicContact CG-CE2 3.6Å; L391-F397 HydrophobicContact CG-CG 4.04Å; L391-F397 HydrophobicContact CG-CZ 3.94Å; L391-F397 VanDerWaalsContact O-CB 3.23Å; L391-F397 WeakPolarHBondContact O-CB 3.27Å; L391-F397 WeakPolarHBondContact O-CG 3.25Å |
| 392 | S | 93.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.1 | -19.3 | -178.1 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | V10 A23 G388 S389 I390 | V10-S392 WeakPolarHBondContact CG2-OG 3.37Å; A23-S392 WeakPolarHBondContact CB-OG 3.38Å; G388-S392 VanDerWaalsContact O-CB 3.31Å; G388-S392 WeakPolarHBondContact O-CB 3.22Å; G388-S392 PolarHBondContact O-N 2.91Å; G388-S392 PolarHBondContact O-OG 3.29Å; S389-S392 PolarHBondContact O-OG 3.25Å; I390-S392 PolarHBondContact O-N 3.4Å |
| 393 | S | 92.4 | Very high | 93.2 | Very high | 60 Ų | 60 | 40.9 Ų | 40.9 | 42% | 0.42 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -85.1 | -10.3 | 175.2 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | S389 I390 L391 P395 | S389-S393 WeakPolarHBondContact O-CB 3.33Å; S389-S393 PolarHBondContact O-N 2.85Å; S389-S393 PolarHBondContact O-OG 3.42Å; I390-S393 PolarHBondContact O-N 2.81Å; I390-S393 PolarHBondContact O-OG 3.17Å; L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 3.27Å; S393-P395 WeakPolarHBondContact O-CD 3.26Å |
| 394 | L | 91.8 | Very high | 93.2 | Very high | 81 Ų | 81 | 44.7 Ų | 44.7 | 42% | 0.424 | 25% | 0.248 | S | C | . | . | trans | -76 | 127.2 | -180 | -63.3 | 177.5 | 0 | 0 | 0 | 111.9 | I390 L391 A396 F397 | I390-L394 WeakPolarHBondContact O-CG 3.29Å; L391-L394 PolarHBondContact O-N 3.18Å; L394-A396 PolarHBondContact O-N 3.5Å; L394-A396 VanDerWaalsContact O-N 3.14Å; L394-F397 HydrophobicContact CB-CB 4.21Å; L394-F397 WeakPolarHBondContact O-CB 3.32Å; L394-F397 PolarHBondContact O-N 3.14Å | ||
| 395 | P | 89.3 | Confident | 93.2 | Very high | 112 Ų | 112 | 50.2 Ų | 50.2 | 73% | 0.727 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -57.6 | -32.2 | 175.6 | -27.3 | 35.2 | 0 | 0 | 0 | 113.8 | S393 F397 Q398 | S393-P395 WeakPolarHBondContact O-CD 3.26Å; P395-F397 PolarHBondContact O-N 3.37Å; P395-Q398 WeakPolarHBondContact O-CB 3.24Å; P395-Q398 WeakPolarHBondContact O-CG 3.41Å; P395-Q398 PolarHBondContact O-N 2.87Å |
| 396 | A | 88 | Confident | 93.1 | Very high | 87 Ų | 87 | 53.1 Ų | 53.1 | 72% | 0.719 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -66.7 | -25.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L394 Q398 | L394-A396 PolarHBondContact O-N 3.5Å; L394-A396 VanDerWaalsContact O-N 3.14Å; A396-Q398 VanDerWaalsContact C-N 3.26Å; A396-Q398 PolarHBondContact O-N 3.17Å |
| 397 | F | 89.9 | Confident | 93.1 | Very high | 14 Ų | 14 | 52.9 Ų | 52.9 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -75.6 | -15.8 | -180 | -170.6 | -109.2 | 0 | 0 | 0 | 112.7 | L118 F147 L391 L394 P395 K399 M400 W401 | L118-F397 HydrophobicContact CD1-CE1 4.03Å; L118-F397 HydrophobicContact CD1-CZ 4.13Å; F147-F397 HydrophobicContact CB-CE1 4.45Å; F147-F397 HydrophobicContact CB-CZ 4.18Å; F147-F397 HydrophobicContact CD1-CE1 4.48Å; F147-F397 HydrophobicContact CD1-CE2 4.3Å; F147-F397 AromaticContact CD1-CZ 3.53Å; F147-F397 HydrophobicContact CD1-CZ 3.53Å; F147-F397 HydrophobicContact CD2-CZ 4.06Å; F147-F397 HydrophobicContact CE1-CE2 4.11Å; F147-F397 AromaticContact CE1-CZ 3.8Å; F147-F397 HydrophobicContact CE1-CZ 3.8Å; F147-F397 HydrophobicContact CE2-CE2 4.45Å; F147-F397 HydrophobicContact CE2-CZ 4.32Å; F147-F397 HydrophobicContact CG-CE1 4.37Å; F147-F397 AromaticContact CG-CZ 3.65Å; F147-F397 HydrophobicContact CG-CZ 3.65Å; F147-F397 HydrophobicContact CZ-CE2 4.19Å; F147-F397 HydrophobicContact CZ-CZ 4.19Å; L391-F397 HydrophobicContact CD1-CD2 3.59Å; L391-F397 HydrophobicContact CD1-CE2 3.91Å; L391-F397 HydrophobicContact CD1-CG 4.18Å; L391-F397 HydrophobicContact CD2-CD2 4.16Å; L391-F397 HydrophobicContact CD2-CE2 3.6Å; L391-F397 HydrophobicContact CD2-CZ 3.85Å; L391-F397 HydrophobicContact CG-CD1 4.37Å; L391-F397 HydrophobicContact CG-CD2 3.64Å; L391-F397 HydrophobicContact CG-CE1 4.32Å; L391-F397 HydrophobicContact CG-CE2 3.6Å; L391-F397 HydrophobicContact CG-CG 4.04Å; L391-F397 HydrophobicContact CG-CZ 3.94Å; L391-F397 VanDerWaalsContact O-CB 3.23Å; L391-F397 WeakPolarHBondContact O-CB 3.27Å; L391-F397 WeakPolarHBondContact O-CG 3.25Å; L394-F397 HydrophobicContact CB-CB 4.21Å; L394-F397 WeakPolarHBondContact O-CB 3.32Å; L394-F397 PolarHBondContact O-N 3.14Å; P395-F397 PolarHBondContact O-N 3.37Å; F397-K399 PolarHBondContact O-N 2.75Å; F397-M400 HydrophobicContact CD2-CB 3.83Å; F397-M400 HydrophobicContact CD2-CG 3.81Å; F397-M400 HydrophobicContact CE2-CB 3.67Å; F397-M400 HydrophobicContact CE2-CG 3.98Å; F397-M400 HydrophobicContact CG-CB 4.44Å; F397-M400 HydrophobicContact CZ-CB 4.18Å; F397-M400 WeakPolarHBondContact O-CB 3.49Å; F397-M400 PolarHBondContact O-N 2.87Å; F397-W401 AromaticContact CD1-CE2 3.76Å; F397-W401 AromaticContact CD1-CZ2 3.83Å; F397-W401 HydrophobicContact CD1-CZ2 3.83Å; F397-W401 AromaticContact CD1-NE1 3.86Å; F397-W401 HydrophobicContact CE1-CD2 4.1Å; F397-W401 AromaticContact CE1-CE2 3.68Å; F397-W401 HydrophobicContact CE1-CE3 4.43Å; F397-W401 HydrophobicContact CE1-CH2 4.02Å; F397-W401 AromaticContact CE1-CZ2 3.64Å; F397-W401 HydrophobicContact CE1-CZ2 3.64Å; F397-W401 HydrophobicContact CE1-CZ3 4.38Å |
| 398 | Q | 85.4 | Confident | 93.1 | Very high | 60 Ų | 60 | 59.1 Ų | 59.1 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -57.6 | -23.3 | -177.9 | -65.6 | -61.8 | -13.2 | 0 | 0 | 114.2 | P395 A396 W401 | P395-Q398 WeakPolarHBondContact O-CB 3.24Å; P395-Q398 WeakPolarHBondContact O-CG 3.41Å; P395-Q398 PolarHBondContact O-N 2.87Å; A396-Q398 VanDerWaalsContact C-N 3.26Å; A396-Q398 PolarHBondContact O-N 3.17Å; Q398-W401 VanDerWaalsContact OE1-NE1 3.15Å |
| 399 | K | 88.2 | Confident | 93 | Very high | 187 Ų | 187 | 65.5 Ų | 65.5 | 81% | 0.813 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -82.8 | -13.2 | 177.7 | -63.7 | 177.8 | 177.4 | 174.8 | 0 | 113.9 | F397 | F397-K399 PolarHBondContact O-N 2.75Š|
| 400 | M | 92.2 | Very high | 93 | Very high | 85 Ų | 85 | 69 Ų | 69 | 42% | 0.419 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -25 | -176.2 | -64.4 | -59.5 | -64.4 | 0 | 0 | 112.6 | F147 F397 | F147-M400 HydrophobicContact CD2-CB 4.25Å; F147-M400 WeakPolarHBondContact CD2-O 3.45Å; F147-M400 HydrophobicContact CE2-CB 3.99Å; F147-M400 HydrophobicContact CE2-CE 4.2Å; F147-M400 HydrophobicContact CZ-CE 4.47Å; F397-M400 HydrophobicContact CD2-CB 3.83Å; F397-M400 HydrophobicContact CD2-CG 3.81Å; F397-M400 HydrophobicContact CE2-CB 3.67Å; F397-M400 HydrophobicContact CE2-CG 3.98Å; F397-M400 HydrophobicContact CG-CB 4.44Å; F397-M400 HydrophobicContact CZ-CB 4.18Å; F397-M400 WeakPolarHBondContact O-CB 3.49Å; F397-M400 PolarHBondContact O-N 2.87Å |
| 401 | W | 94.7 | Very high | 92.9 | Very high | 12 Ų | 12 | 67.1 Ų | 67.1 | 5% | 0.045 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -56.1 | 143.7 | 178.3 | -59.1 | 111.2 | 0 | 0 | 0 | 111.7 | A8 L118 A145 F147 F397 Q398 K418 | A8-W401 HydrophobicContact CB-CH2 3.85Å; A8-W401 HydrophobicContact CB-CZ2 3.89Å; L118-W401 HydrophobicContact CB-CH2 3.83Å; L118-W401 HydrophobicContact CB-CZ3 3.99Å; L118-W401 HydrophobicContact CD1-CH2 4.44Å; A145-W401 HydrophobicContact CB-CB 3.92Å; A145-W401 HydrophobicContact CB-CG 4.38Å; F147-W401 HydrophobicContact CB-CD2 4.36Å; F147-W401 HydrophobicContact CB-CE3 3.49Å; F147-W401 VanDerWaalsContact CB-CE3 3.49Å; F147-W401 HydrophobicContact CB-CZ3 3.66Å; F397-W401 AromaticContact CD1-CE2 3.76Å; F397-W401 AromaticContact CD1-CZ2 3.83Å; F397-W401 HydrophobicContact CD1-CZ2 3.83Å; F397-W401 AromaticContact CD1-NE1 3.86Å; F397-W401 HydrophobicContact CE1-CD2 4.1Å; F397-W401 AromaticContact CE1-CE2 3.68Å; F397-W401 HydrophobicContact CE1-CE3 4.43Å; F397-W401 HydrophobicContact CE1-CH2 4.02Å; F397-W401 AromaticContact CE1-CZ2 3.64Å; F397-W401 HydrophobicContact CE1-CZ2 3.64Å; F397-W401 HydrophobicContact CE1-CZ3 4.38Å; Q398-W401 VanDerWaalsContact OE1-NE1 3.15Å; W401-K418 PolarHBondContact O-NZ 3.32Å |
| 402 | I | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 118.3 | 164.1 | -60 | 158 | 0 | 0 | 0 | 105.6 | F138 A145 F146 E406 I414 V415 K418 | F138-I402 HydrophobicContact CE2-CG2 4.02Å; F138-I402 HydrophobicContact CZ-CB 4.3Å; F138-I402 HydrophobicContact CZ-CG2 3.93Å; F138-I402 WeakPolarHBondContact CZ-O 3.42Å; A145-I402 CarbonylContact C-O 3.5Å; A145-I402 WeakPolarHBondContact CA-O 3.46Å; A145-I402 WeakPolarHBondContact CB-O 3.44Å; F146-I402 HydrophobicContact CD1-CD1 4.27Å; F146-I402 PolarHBondContact N-O 3.27Å; F146-I402 WeakPolarHBondContact O-CB 3.35Å; F146-I402 PolarHBondContact O-N 2.87Å; I402-E406 HydrophobicContact CG2-CB 4.48Å; I402-I414 HydrophobicContact CD1-CG2 4.38Å; I402-I414 HydrophobicContact CG2-CD1 4.06Å; I402-I414 HydrophobicContact CG2-CG1 4.35Å; I402-I414 HydrophobicContact CG2-CG2 3.72Å; I402-V415 HydrophobicContact CD1-CB 4.25Å; I402-V415 HydrophobicContact CD1-CG2 4.3Å; I402-K418 HydrophobicContact CD1-CB 4.2Å; I402-K418 HydrophobicContact CG1-CB 3.86Å; I402-K418 HydrophobicContact CG1-CD 3.8Å; I402-K418 HydrophobicContact CG1-CG 4.41Å |
| 403 | S | 95.4 | Very high | 92.7 | Very high | 39 Ų | 39 | 72.8 Ų | 72.8 | 27% | 0.273 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 158.4 | 173.7 | 77.8 | 0 | 0 | 0 | 0 | 111 | Q405 E406 Y407 | S403-Q405 PolarHBondContact O-N 3.47Å; S403-E406 PolarHBondContact N-OE2 3.04Å; S403-E406 PolarHBondContact O-N 3.16Å; S403-E406 VanDerWaalsContact O-N 3.13Å; S403-E406 WeakPolarHBondContact OG-CG 3.36Å; S403-E406 PolarHBondContact OG-N 2.83Å; S403-E406 VanDerWaalsContact OG-N 3.15Å; S403-Y407 PolarHBondContact O-N 3.12Å |
| 404 | K | 94.2 | Very high | 92.8 | Very high | 81 Ų | 81 | 70.5 Ų | 70.5 | 35% | 0.352 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.2 | -39.6 | 173.2 | -176.6 | 170.8 | 179.6 | 169.8 | 0 | 112.5 | F138 P144 Y407 E408 | F138-K404 HydrophobicContact CD1-CB 3.96Å; F138-K404 HydrophobicContact CD1-CG 4.15Å; F138-K404 HydrophobicContact CE1-CB 3.98Å; P144-K404 PolarHBondContact O-N 3.13Å; K404-Y407 WeakPolarHBondContact O-CB 3.28Å; K404-Y407 PolarHBondContact O-N 3.07Å; K404-E408 WeakPolarHBondContact CE-OE1 3.49Å; K404-E408 HydrophobicContact CG-CG 4.49Å; K404-E408 WeakPolarHBondContact O-CG 3.38Å; K404-E408 PolarHBondContact O-N 3.12Å |
| 405 | Q | 94.8 | Very high | 92.8 | Very high | 123 Ų | 123 | 66.6 Ų | 66.6 | 58% | 0.575 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.9 | -46.6 | 175.9 | -178.4 | -177.9 | -2.5 | 0 | 0 | 111.7 | S403 Y407 E408 E409 | S403-Q405 PolarHBondContact O-N 3.47Å; Q405-Y407 VanDerWaalsContact C-N 3.27Å; Q405-Y407 PolarHBondContact O-N 2.86Å; Q405-E408 PolarHBondContact O-N 2.98Å; Q405-E409 WeakPolarHBondContact CG-OE1 3.31Å; Q405-E409 PolarHBondContact NE2-OE1 2.93Å; Q405-E409 WeakPolarHBondContact O-CG 3.17Å; Q405-E409 PolarHBondContact O-N 2.79Å |
| 406 | E | 95.3 | Very high | 92.9 | Very high | 61 Ų | 61 | 63.9 Ų | 63.9 | 29% | 0.285 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 178.6 | -70.1 | 178.1 | 139.6 | 0 | 0 | 112 | I402 S403 S410 I414 K418 | I402-E406 HydrophobicContact CG2-CB 4.48Å; S403-E406 PolarHBondContact N-OE2 3.04Å; S403-E406 PolarHBondContact O-N 3.16Å; S403-E406 VanDerWaalsContact O-N 3.13Å; S403-E406 WeakPolarHBondContact OG-CG 3.36Å; S403-E406 PolarHBondContact OG-N 2.83Å; S403-E406 VanDerWaalsContact OG-N 3.15Å; E406-S410 WeakPolarHBondContact O-CB 3.37Å; E406-S410 PolarHBondContact O-N 2.82Å; E406-I414 HydrophobicContact CB-CD1 3.64Å; E406-I414 WeakPolarHBondContact O-CD1 3.37Å; E406-K418 IonicContact OE1-NZ 3.78Å; E406-K418 PolarHBondContact OE1-NZ 2.67Å; E406-K418 IonicContact OE2-NZ 2.71Å; E406-K418 PolarHBondContact OE2-NZ 3.11Å |
| 407 | Y | 96.8 | Very high | 93 | Very high | 15 Ų | 15 | 68.2 Ų | 68.2 | 6% | 0.059 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 173.3 | 175.2 | -91.4 | 0 | 0 | 0 | 112 | A134 E135 F138 E139 S403 K404 Q405 E409 G411 R412 I414 | A134-Y407 HydrophobicContact CB-CE2 4.1Å; E135-Y407 WeakPolarHBondContact CA-OH 3.44Å; F138-Y407 HydrophobicContact CB-CD1 3.79Å; F138-Y407 HydrophobicContact CB-CE1 3.84Å; F138-Y407 HydrophobicContact CB-CG 4.19Å; F138-Y407 AromaticContact CD2-CD1 3.88Å; F138-Y407 HydrophobicContact CD2-CD1 3.88Å; F138-Y407 AromaticContact CD2-CD2 3.29Å; F138-Y407 HydrophobicContact CD2-CD2 3.29Å; F138-Y407 HydrophobicContact CD2-CE1 4.32Å; F138-Y407 AromaticContact CD2-CE2 3.76Å; F138-Y407 HydrophobicContact CD2-CE2 3.76Å; F138-Y407 AromaticContact CD2-CG 3.35Å; F138-Y407 HydrophobicContact CD2-CG 3.35Å; F138-Y407 AromaticContact CE2-CD2 3.66Å; F138-Y407 HydrophobicContact CE2-CD2 3.66Å; F138-Y407 HydrophobicContact CE2-CE2 4.47Å; F138-Y407 AromaticContact CE2-CG 3.76Å; F138-Y407 HydrophobicContact CE2-CG 3.76Å; F138-Y407 AromaticContact CG-CD1 3.89Å; F138-Y407 HydrophobicContact CG-CD1 3.89Å; F138-Y407 HydrophobicContact CG-CD2 4.16Å; F138-Y407 HydrophobicContact CG-CE1 4.35Å; F138-Y407 AromaticContact CG-CG 3.8Å; F138-Y407 HydrophobicContact CG-CG 3.8Å; E139-Y407 HydrophobicContact CG-CE1 4.12Å; E139-Y407 PolarHBondContact OE1-OH 3.34Å; E139-Y407 VanDerWaalsContact OE1-OH 3.07Å; S403-Y407 PolarHBondContact O-N 3.12Å; K404-Y407 WeakPolarHBondContact O-CB 3.28Å; K404-Y407 PolarHBondContact O-N 3.07Å; Q405-Y407 VanDerWaalsContact C-N 3.27Å; Q405-Y407 PolarHBondContact O-N 2.86Å; Y407-E409 VanDerWaalsContact C-N 3.31Å; Y407-E409 PolarHBondContact O-N 3.25Å; Y407-G411 WeakPolarHBondContact O-CA 3.43Å; Y407-G411 PolarHBondContact O-N 2.92Å; Y407-R412 HydrophobicContact CE2-CB 3.88Å; Y407-I414 HydrophobicContact CD2-CG2 4.27Å |
| 408 | E | 95.7 | Very high | 93.2 | Very high | 131 Ų | 131 | 70.4 Ų | 70.4 | 61% | 0.612 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.3 | -36.6 | 177.5 | -72.9 | 170.5 | 179.3 | 0 | 0 | 112.1 | K404 Q405 | K404-E408 WeakPolarHBondContact CE-OE1 3.49Å; K404-E408 HydrophobicContact CG-CG 4.49Å; K404-E408 WeakPolarHBondContact O-CG 3.38Å; K404-E408 PolarHBondContact O-N 3.12Å; Q405-E408 PolarHBondContact O-N 2.98Å |
| 409 | E | 95.6 | Very high | 93.5 | Very high | 135 Ų | 135 | 67.5 Ų | 67.5 | 63% | 0.631 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -75.6 | -38.9 | 179.8 | -71.8 | 174.1 | -171.2 | 0 | 0 | 113.4 | Q405 Y407 | Q405-E409 WeakPolarHBondContact CG-OE1 3.31Å; Q405-E409 PolarHBondContact NE2-OE1 2.93Å; Q405-E409 WeakPolarHBondContact O-CG 3.17Å; Q405-E409 PolarHBondContact O-N 2.79Å; Y407-E409 VanDerWaalsContact C-N 3.31Å; Y407-E409 PolarHBondContact O-N 3.25Å |
| 410 | S | 94 | Very high | 93.3 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 53% | 0.531 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -103.6 | -12.6 | -173.9 | -65.4 | 0 | 0 | 0 | 0 | 114.5 | E406 | E406-S410 WeakPolarHBondContact O-CB 3.37Å; E406-S410 PolarHBondContact O-N 2.82Å |
| 411 | G | 93.4 | Very high | 93.4 | Very high | 30 Ų | 30 | 61.7 Ų | 61.7 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | trans | 67.1 | -178.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y407 G413 I414 | Y407-G411 WeakPolarHBondContact O-CA 3.43Å; Y407-G411 PolarHBondContact O-N 2.92Å; G411-G413 PolarHBondContact O-N 2.78Å; G411-I414 VanDerWaalsContact O-CG2 3.3Å; G411-I414 WeakPolarHBondContact O-CG2 3.43Å; G411-I414 PolarHBondContact O-N 3.19Å; G411-I414 VanDerWaalsContact O-N 3.11Å | ||
| 412 | R | 91.6 | Very high | 93.3 | Very high | 114 Ų | 114 | 64.3 Ų | 64.3 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -25.3 | -176 | 67.9 | -170.6 | -167.5 | -157.7 | -9.8 | 115.9 | E131 E135 Y407 I414 V415 | E131-R412 HydrophobicContact CB-CB 4.09Å; E131-R412 HydrophobicContact CB-CG 3.83Å; E131-R412 HydrophobicContact CG-CB 4.29Å; E131-R412 HydrophobicContact CG-CG 3.92Å; E131-R412 IonicContact OE2-CZ 3.92Å; E131-R412 IonicContact OE2-NE 3.03Å; E131-R412 PolarHBondContact OE2-NE 2.7Å; E135-R412 IonicContact OE2-CZ 3.91Å; E135-R412 IonicContact OE2-NH1 2.88Å; E135-R412 PolarHBondContact OE2-NH1 3.43Å; Y407-R412 HydrophobicContact CE2-CB 3.88Å; R412-I414 PolarHBondContact O-N 2.76Å; R412-V415 VanDerWaalsContact O-CG1 3.31Å; R412-V415 WeakPolarHBondContact O-CG1 3.17Å; R412-V415 PolarHBondContact O-N 2.81Å |
| 413 | G | 91.5 | Very high | 93.2 | Very high | 26 Ų | 26 | 67.9 Ų | 67.9 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -12.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | G411 V415 V416 | G411-G413 PolarHBondContact O-N 2.78Å; G413-V415 PolarHBondContact O-N 3.36Å; G413-V416 PolarHBondContact O-N 2.66Å |
| 414 | I | 93.7 | Very high | 93 | Very high | 11 Ų | 11 | 69.6 Ų | 69.6 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.3 | -32.3 | 175.6 | -167.1 | 163.6 | 0 | 0 | 0 | 112.8 | I402 E406 Y407 G411 R412 V416 K417 K418 | I402-I414 HydrophobicContact CD1-CG2 4.38Å; I402-I414 HydrophobicContact CG2-CD1 4.06Å; I402-I414 HydrophobicContact CG2-CG1 4.35Å; I402-I414 HydrophobicContact CG2-CG2 3.72Å; E406-I414 HydrophobicContact CB-CD1 3.64Å; E406-I414 WeakPolarHBondContact O-CD1 3.37Å; Y407-I414 HydrophobicContact CD2-CG2 4.27Å; G411-I414 VanDerWaalsContact O-CG2 3.3Å; G411-I414 WeakPolarHBondContact O-CG2 3.43Å; G411-I414 PolarHBondContact O-N 3.19Å; G411-I414 VanDerWaalsContact O-N 3.11Å; R412-I414 PolarHBondContact O-N 2.76Å; I414-V416 VanDerWaalsContact C-N 3.25Å; I414-V416 PolarHBondContact O-N 3.43Å; I414-K417 PolarHBondContact O-N 3.34Å; I414-K418 HydrophobicContact CD1-CD 4.45Å; I414-K418 HydrophobicContact CG1-CD 4.38Å; I414-K418 HydrophobicContact CG1-CG 4.37Å; I414-K418 PolarHBondContact O-N 2.98Å |
| 415 | V | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.8 | -39 | -179.7 | 71.6 | 0 | 0 | 0 | 0 | 111.6 | R130 E131 A134 F146 L148 I402 R412 G413 K417 C419 | R130-V415 HydrophobicContact CB-CG1 3.95Å; R130-V415 HydrophobicContact CB-CG2 4.48Å; E131-V415 HydrophobicContact CG-CG1 4.15Å; A134-V415 HydrophobicContact CB-CB 4.46Å; F146-V415 HydrophobicContact CE1-CG2 3.79Å; L148-V415 HydrophobicContact CB-CG2 4.17Å; L148-V415 HydrophobicContact CD2-CG2 4.17Å; I402-V415 HydrophobicContact CD1-CB 4.25Å; I402-V415 HydrophobicContact CD1-CG2 4.3Å; R412-V415 VanDerWaalsContact O-CG1 3.31Å; R412-V415 WeakPolarHBondContact O-CG1 3.17Å; R412-V415 PolarHBondContact O-N 2.81Å; G413-V415 PolarHBondContact O-N 3.36Å; V415-K417 PolarHBondContact O-N 3.26Å; V415-C419 HydrophobicContact CG2-CB 4.27Å; V415-C419 WeakPolarHBondContact O-CB 3.47Å; V415-C419 PolarHBondContact O-N 2.85Å |
| 416 | V | 91.4 | Very high | 92.8 | Very high | 54 Ų | 54 | 65.3 Ų | 65.3 | 33% | 0.327 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.7 | -28.9 | -179.7 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | K127 G413 I414 | K127-V416 HydrophobicContact CD-CG2 4.09Å; K127-V416 HydrophobicContact CG-CG2 3.77Å; G413-V416 PolarHBondContact O-N 2.66Å; I414-V416 VanDerWaalsContact C-N 3.25Å; I414-V416 PolarHBondContact O-N 3.43Å |
| 417 | K | 90.1 | Very high | 92.6 | Very high | 179 Ų | 179 | 65.6 Ų | 65.6 | 78% | 0.778 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -85.1 | -40.8 | -178.4 | -64.9 | -179.8 | -179.2 | 175.1 | 0 | 112.4 | I414 V415 | I414-K417 PolarHBondContact O-N 3.34Å; V415-K417 PolarHBondContact O-N 3.26Å |
| 418 | K | 92.6 | Very high | 92.3 | Very high | 59 Ų | 59 | 69.5 Ų | 69.5 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -92.7 | -21.5 | -174.5 | -83.4 | -162.2 | 166.8 | -164.9 | 0 | 114.5 | W401 I402 E406 I414 P420 | W401-K418 PolarHBondContact O-NZ 3.32Å; I402-K418 HydrophobicContact CD1-CB 4.2Å; I402-K418 HydrophobicContact CG1-CB 3.86Å; I402-K418 HydrophobicContact CG1-CD 3.8Å; I402-K418 HydrophobicContact CG1-CG 4.41Å; E406-K418 IonicContact OE1-NZ 3.78Å; E406-K418 PolarHBondContact OE1-NZ 2.67Å; E406-K418 IonicContact OE2-NZ 2.71Å; E406-K418 PolarHBondContact OE2-NZ 3.11Å; I414-K418 HydrophobicContact CD1-CD 4.45Å; I414-K418 HydrophobicContact CG1-CD 4.38Å; I414-K418 HydrophobicContact CG1-CG 4.37Å; I414-K418 PolarHBondContact O-N 2.98Å; K418-P420 VanDerWaalsContact O-CD 3.29Å; K418-P420 WeakPolarHBondContact O-CD 3.48Å |
| 419 | C | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -111 | 93.9 | 178.1 | -58.4 | 0 | 0 | 0 | 0 | 109.2 | R130 L148 V415 | R130-C419 PolarHBondContact NH1-O 3.38Å; R130-C419 VanDerWaalsContact NH1-O 3.14Å; R130-C419 PolarHBondContact NH2-O 3.18Å; L148-C419 HydrophobicContact CB-CB 4.1Å; L148-C419 PolarHBondContact N-SG 3.1Å; L148-C419 VanDerWaalsContact N-SG 3.36Å; L148-C419 VanDerWaalsContact O-CB 3.29Å; L148-C419 WeakPolarHBondContact O-CB 3.2Å; V415-C419 HydrophobicContact CG2-CB 4.27Å; V415-C419 WeakPolarHBondContact O-CB 3.47Å; V415-C419 PolarHBondContact O-N 2.85Å | ||
| 420 | P | 84.1 | Confident | 91.7 | Very high | 88 Ų | 88 | 57.9 Ų | 57.9 | 57% | 0.571 | 32% | 0.321 | S | S | * | . | trans | -73.4 | 0 | -175.4 | 28.3 | -34.8 | 0 | 0 | 0 | 115.3 | K150 Y183 K418 | K150-P420 VanDerWaalsContact CE-O 3.23Å; K150-P420 WeakPolarHBondContact CE-O 3.35Å; K150-P420 VanDerWaalsContact CE-OXT 3.3Å; K150-P420 WeakPolarHBondContact CE-OXT 3.07Å; K150-P420 PolarHBondContact NZ-O 3.35Å; K150-P420 PolarHBondContact NZ-OXT 2.88Å; Y183-P420 HydrophobicContact CD1-CB 4.17Å; Y183-P420 HydrophobicContact CD1-CG 4.11Å; Y183-P420 HydrophobicContact CE1-CB 4.18Å; Y183-P420 HydrophobicContact CE1-CG 3.87Å; K418-P420 VanDerWaalsContact O-CD 3.29Å; K418-P420 WeakPolarHBondContact O-CD 3.48Å |
Retrieved 420 of 420 residues in 126.2 ms
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