| 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 | 38 | Very low | 62.4 | Low | 214 Ų | 214 | 86 Ų | 86 | 100% | 1.054 | 46% | 0.458 | S | S | * | . | 0 | 121.6 | 0 | -77.1 | 172.9 | -172.9 | 0 | 0 | 107.1 | T3 | M1-T3 PolarHBondContact O-N 2.81Š| |||
| 2 | E | 33.8 | Very low | 64.8 | Low | 169 Ų | 169 | 80.5 Ų | 80.5 | 79% | 0.79 | 43% | 0.43 | S | S | * | . | trans | -56.7 | 130.7 | 163.2 | -77.3 | 172.5 | 153 | 0 | 0 | 107.3 | D4 | E2-D4 VanDerWaalsContact C-N 3.34Å; E2-D4 PolarHBondContact O-N 3.46Å | ||
| 3 | T | 44.2 | Very low | 66.5 | Low | 37 Ų | 37 | 78.4 Ų | 78.4 | 23% | 0.227 | 42% | 0.418 | C | S | . | . | trans | -70.5 | 95.7 | 176.5 | 38.8 | 0 | 0 | 0 | 0 | 107.6 | M1 V5 G124 | M1-T3 PolarHBondContact O-N 2.81Å; T3-V5 PolarHBondContact O-N 3.46Å; T3-G124 WeakPolarHBondContact CG2-O 3.49Å; T3-G124 PolarHBondContact OG1-O 2.72Å | ||
| 4 | D | 49.2 | Very low | 68 | Low | 95 Ų | 95 | 80.1 Ų | 80.1 | 51% | 0.508 | 44% | 0.436 | S | S | . | . | trans | -65.9 | 105 | 165 | -169.4 | -14.3 | 0 | 0 | 0 | 107.1 | E2 T6 S7 | E2-D4 VanDerWaalsContact C-N 3.34Å; E2-D4 PolarHBondContact O-N 3.46Å; D4-T6 PolarHBondContact O-N 3.07Å; D4-T6 WeakPolarHBondContact OD1-CB 3.33Å; D4-T6 WeakPolarHBondContact OD1-CG2 3.49Å; D4-T6 PolarHBondContact OD1-N 2.93Å; D4-T6 PolarHBondContact OD1-OG1 3.38Å; D4-T6 PolarHBondContact OD2-OG1 2.92Å; D4-S7 WeakPolarHBondContact O-CB 3.4Å; D4-S7 PolarHBondContact O-N 2.86Å; D4-S7 PolarHBondContact O-OG 3.47Å | ||
| 5 | V | 58 | Low | 69 | Low | 30 Ų | 30 | 82.1 Ų | 82.1 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -53.5 | -24 | -177.8 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | T3 S7 T9 F57 | T3-V5 PolarHBondContact O-N 3.46Å; V5-S7 VanDerWaalsContact C-N 3.27Å; V5-S7 PolarHBondContact O-N 2.99Å; V5-T9 HydrophobicContact CG1-CG2 4.13Å; V5-T9 PolarHBondContact O-N 3.28Å; V5-T9 PolarHBondContact O-OG1 3.49Å; V5-F57 HydrophobicContact CG1-CB 4.49Å; V5-F57 HydrophobicContact CG1-CD1 3.79Å; V5-F57 HydrophobicContact CG1-CD2 3.82Å; V5-F57 HydrophobicContact CG1-CE1 3.83Å; V5-F57 HydrophobicContact CG1-CE2 3.85Å; V5-F57 HydrophobicContact CG1-CG 3.77Å; V5-F57 HydrophobicContact CG1-CZ 3.86Å; V5-F57 HydrophobicContact CG2-CE2 4.45Å |
| 6 | T | 54.2 | Low | 70.3 | Confident | 103 Ų | 103 | 78.4 Ų | 78.4 | 63% | 0.632 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -67.4 | -24.4 | 177.1 | 66.6 | 0 | 0 | 0 | 0 | 113.5 | D4 | D4-T6 PolarHBondContact O-N 3.07Å; D4-T6 WeakPolarHBondContact OD1-CB 3.33Å; D4-T6 WeakPolarHBondContact OD1-CG2 3.49Å; D4-T6 PolarHBondContact OD1-N 2.93Å; D4-T6 PolarHBondContact OD1-OG1 3.38Å; D4-T6 PolarHBondContact OD2-OG1 2.92Å |
| 7 | S | 63.4 | Low | 71.5 | Confident | 72 Ų | 72 | 81 Ų | 81 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -80.1 | -30.8 | -179.9 | 65.7 | 0 | 0 | 0 | 0 | 113.6 | D4 V5 | D4-S7 WeakPolarHBondContact O-CB 3.4Å; D4-S7 PolarHBondContact O-N 2.86Å; D4-S7 PolarHBondContact O-OG 3.47Å; V5-S7 VanDerWaalsContact C-N 3.27Å; V5-S7 PolarHBondContact O-N 2.99Å |
| 8 | D | 77.9 | Confident | 72.8 | Confident | 31 Ų | 31 | 78 Ų | 78 | 17% | 0.166 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -97.4 | -8.3 | -173.5 | -81 | -19.1 | 0 | 0 | 0 | 113.8 | Y47 R48 R128 | D8-Y47 HydrophobicContact CB-CD1 4.49Å; D8-R48 PolarHBondContact O-N 3.45Å; D8-R48 VanDerWaalsContact O-N 3.09Å; D8-R128 VanDerWaalsContact CG-NH2 3.28Å; D8-R128 IonicContact OD1-CZ 3.51Å; D8-R128 IonicContact OD1-NH1 3.68Å; D8-R128 PolarHBondContact OD1-NH1 3.46Å; D8-R128 IonicContact OD1-NH2 2.73Å; D8-R128 PolarHBondContact OD1-NH2 2.88Å; D8-R128 IonicContact OD2-CZ 2.94Å; D8-R128 IonicContact OD2-NH1 2.67Å; D8-R128 PolarHBondContact OD2-NH1 2.91Å; D8-R128 VanDerWaalsContact OD2-NH1 3.16Å; D8-R128 IonicContact OD2-NH2 2.7Å; D8-R128 PolarHBondContact OD2-NH2 2.98Å |
| 9 | T | 87.4 | Confident | 73.9 | Confident | 15 Ų | 15 | 78.2 Ų | 78.2 | 9% | 0.092 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 158.6 | -180 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | V5 T45 Q46 Y47 F57 | V5-T9 HydrophobicContact CG1-CG2 4.13Å; V5-T9 PolarHBondContact O-N 3.28Å; V5-T9 PolarHBondContact O-OG1 3.49Å; T9-T45 VanDerWaalsContact CB-OG1 3.28Å; T9-T45 WeakPolarHBondContact CB-OG1 2.94Å; T9-T45 PolarHBondContact OG1-OG1 3.36Å; T9-Q46 CarbonylContact C-O 3.51Å; T9-Q46 WeakPolarHBondContact CA-O 3.18Å; T9-Q46 WeakPolarHBondContact CB-O 3.4Å; T9-Y47 HydrophobicContact CG2-CD1 3.59Å; T9-Y47 HydrophobicContact CG2-CE1 3.64Å; T9-Y47 HydrophobicContact CG2-CG 4.09Å; T9-F57 HydrophobicContact CG2-CB 4.05Å |
| 10 | V | 89.3 | Confident | 75 | Confident | 33 Ų | 33 | 78.1 Ų | 78.1 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 168.2 | 178.3 | -69.9 | 0 | 0 | 0 | 0 | 110 | T45 Q46 R48 | V10-T45 WeakPolarHBondContact O-CB 3.47Å; V10-Q46 HydrophobicContact CG2-CB 4.3Å; V10-Q46 WeakPolarHBondContact CG2-O 3.42Å; V10-Q46 PolarHBondContact N-O 3.14Å; V10-Q46 PolarHBondContact O-N 3.06Å; V10-R48 HydrophobicContact CG1-CG 3.74Å; V10-R48 VanDerWaalsContact CG1-NH2 3.27Å; V10-R48 HydrophobicContact CG2-CG 4.43Å |
| 11 | E | 91.2 | Very high | 75.9 | Confident | 147 Ų | 147 | 84.4 Ų | 84.4 | 69% | 0.687 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -56.2 | 143.6 | 165.4 | -164.1 | -171.9 | 156.6 | 0 | 0 | 110.1 | L13 K17 | E11-L13 PolarHBondContact O-N 3.16Å; E11-K17 IonicContact OE1-NZ 3.4Å |
| 12 | V | 90.8 | Very high | 78.7 | Confident | 20 Ų | 20 | 76.4 Ų | 76.4 | 12% | 0.121 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 121.4 | 179.1 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | H16 K17 V44 Q46 F56 | V12-H16 HydrophobicContact CG1-CB 4.23Å; V12-K17 HydrophobicContact CG1-CG 3.89Å; V12-K17 WeakPolarHBondContact O-CE 3.4Å; V12-V44 HydrophobicContact CG2-CG1 3.95Å; V12-Q46 HydrophobicContact CG2-CB 4.4Å; V12-F56 HydrophobicContact CG1-CE1 3.91Å; V12-F56 HydrophobicContact CG2-CD1 4.07Å; V12-F56 HydrophobicContact CG2-CE1 4.25Å |
| 13 | L | 87.3 | Confident | 81.7 | Confident | 53 Ų | 53 | 68.4 Ų | 68.4 | 28% | 0.277 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 143.3 | -178.7 | -62.3 | 177.5 | 0 | 0 | 0 | 110.5 | E11 Q15 H16 K17 Q46 | E11-L13 PolarHBondContact O-N 3.16Å; L13-Q15 VanDerWaalsContact C-N 3.29Å; L13-Q15 PolarHBondContact O-N 2.99Å; L13-H16 HydrophobicContact CB-CB 4.39Å; L13-H16 CarbonylContact O-C 3.32Å; L13-H16 WeakPolarHBondContact O-CA 3.28Å; L13-H16 PolarHBondContact O-N 3.08Å; L13-K17 PolarHBondContact O-N 3.41Å; L13-Q46 VanDerWaalsContact N-OE1 3.08Å |
| 14 | P | 86.7 | Confident | 84.1 | Confident | 102 Ų | 102 | 69 Ų | 69 | 66% | 0.662 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -51.6 | -44.2 | -175.2 | -29.2 | 35.5 | 0 | 0 | 0 | 114.2 | H16 K17 | P14-H16 PolarHBondContact O-N 3.08Å; P14-K17 PolarHBondContact O-N 2.85Å |
| 15 | Q | 84.3 | Confident | 86.3 | Confident | 110 Ų | 110 | 67.3 Ų | 67.3 | 51% | 0.514 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -67.4 | -17.5 | 178.4 | 67.2 | -85.8 | 26.4 | 0 | 0 | 113.6 | L13 P72 | L13-Q15 VanDerWaalsContact C-N 3.29Å; L13-Q15 PolarHBondContact O-N 2.99Å; Q15-P72 WeakPolarHBondContact O-CG 3.41Å |
| 16 | H | 89.1 | Confident | 88.2 | Confident | 23 Ų | 23 | 68 Ų | 68 | 11% | 0.106 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -104.1 | -2.2 | -178.1 | -67.5 | 165.8 | 0 | 0 | 0 | 113.7 | V12 L13 P14 F18 Q46 P54 F56 K69 | V12-H16 HydrophobicContact CG1-CB 4.23Å; L13-H16 HydrophobicContact CB-CB 4.39Å; L13-H16 CarbonylContact O-C 3.32Å; L13-H16 WeakPolarHBondContact O-CA 3.28Å; L13-H16 PolarHBondContact O-N 3.08Å; P14-H16 PolarHBondContact O-N 3.08Å; H16-F18 VanDerWaalsContact O-CD1 3.23Å; H16-F18 WeakPolarHBondContact O-CD1 3.28Å; H16-Q46 PolarHBondContact ND1-NE2 3.3Å; H16-Q46 VanDerWaalsContact ND1-NE2 3.11Å; H16-Q46 PolarHBondContact ND1-OE1 3.44Å; H16-Q46 VanDerWaalsContact ND1-OE1 3.15Å; H16-P54 WeakPolarHBondContact NE2-CG 3.48Å; H16-F56 HydrophobicContact CB-CE1 4.24Å; H16-F56 HydrophobicContact CB-CZ 4.01Å; H16-K69 WeakPolarHBondContact O-CE 3.39Å |
| 17 | K | 91.3 | Very high | 90.2 | Very high | 123 Ų | 123 | 63.1 Ų | 63.1 | 54% | 0.535 | 33% | 0.326 | S | S | . | . | trans | -59.4 | 143.8 | 178.4 | -70.6 | -172.1 | 175.2 | -171.2 | 0 | 111.3 | E11 V12 L13 P14 | E11-K17 IonicContact OE1-NZ 3.4Å; V12-K17 HydrophobicContact CG1-CG 3.89Å; V12-K17 WeakPolarHBondContact O-CE 3.4Å; L13-K17 PolarHBondContact O-N 3.41Å; P14-K17 PolarHBondContact O-N 2.85Å | ||
| 18 | F | 94 | Very high | 91.6 | Very high | 27 Ų | 27 | 63 Ų | 63 | 12% | 0.118 | 32% | 0.32 | C | S | . | . | trans | -145.3 | 165.4 | 176.8 | 51.1 | -97.7 | 0 | 0 | 0 | 110.2 | H16 L20 L23 V44 F56 K69 I112 | H16-F18 VanDerWaalsContact O-CD1 3.23Å; H16-F18 WeakPolarHBondContact O-CD1 3.28Å; F18-L20 HydrophobicContact CD2-CD2 4.07Å; F18-L20 HydrophobicContact CE2-CD2 3.6Å; F18-L20 HydrophobicContact CZ-CD2 4.41Å; F18-L20 PolarHBondContact O-N 2.97Å; F18-L20 VanDerWaalsContact O-N 3.16Å; F18-L23 HydrophobicContact CD2-CD2 4.33Å; F18-L23 HydrophobicContact CE2-CD2 3.54Å; F18-L23 HydrophobicContact CZ-CD2 4.31Å; F18-V44 HydrophobicContact CZ-CG1 4.07Å; F18-F56 HydrophobicContact CD1-CZ 4.49Å; F18-F56 HydrophobicContact CE1-CD1 4.01Å; F18-F56 HydrophobicContact CE1-CD2 4.09Å; F18-F56 AromaticContact CE1-CE1 3.82Å; F18-F56 HydrophobicContact CE1-CE1 3.82Å; F18-F56 AromaticContact CE1-CE2 3.91Å; F18-F56 HydrophobicContact CE1-CE2 3.91Å; F18-F56 HydrophobicContact CE1-CG 4.15Å; F18-F56 AromaticContact CE1-CZ 3.77Å; F18-F56 HydrophobicContact CE1-CZ 3.77Å; F18-F56 HydrophobicContact CZ-CD1 4.36Å; F18-F56 HydrophobicContact CZ-CD2 4.47Å; F18-F56 HydrophobicContact CZ-CG 4.31Å; F18-K69 HydrophobicContact CD1-CD 3.88Å; F18-K69 HydrophobicContact CE1-CD 4.07Å; F18-I112 HydrophobicContact CB-CB 4Å; F18-I112 HydrophobicContact CD2-CB 4.36Å; F18-I112 HydrophobicContact CD2-CG2 4.2Å; F18-I112 HydrophobicContact CG-CB 4.32Å | ||
| 19 | D | 94.6 | Very high | 92.4 | Very high | 81 Ų | 81 | 68.7 Ų | 68.7 | 43% | 0.433 | 35% | 0.345 | S | S | . | . | trans | -71.4 | 107.3 | -179.1 | -177.8 | -1.6 | 0 | 0 | 0 | 111.5 | R21 S22 L23 | D19-R21 VanDerWaalsContact C-N 3.34Å; D19-R21 WeakPolarHBondContact OD1-CB 3.45Å; D19-R21 PolarHBondContact OD1-N 2.93Å; D19-S22 PolarHBondContact OD1-N 2.95Å; D19-S22 WeakPolarHBondContact OD2-CB 3.34Å; D19-S22 PolarHBondContact OD2-OG 3.47Å; D19-L23 PolarHBondContact O-N 2.95Å; D19-L23 VanDerWaalsContact O-N 3.08Å | ||
| 20 | L | 94.4 | Very high | 92.9 | Very high | 77 Ų | 77 | 72 Ų | 72 | 40% | 0.403 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.5 | -32 | 179.2 | -64.6 | -176.8 | 0 | 0 | 0 | 113 | F18 E24 V44 | F18-L20 HydrophobicContact CD2-CD2 4.07Å; F18-L20 HydrophobicContact CE2-CD2 3.6Å; F18-L20 HydrophobicContact CZ-CD2 4.41Å; F18-L20 PolarHBondContact O-N 2.97Å; F18-L20 VanDerWaalsContact O-N 3.16Å; L20-E24 VanDerWaalsContact O-CB 3.29Å; L20-E24 WeakPolarHBondContact O-CB 3.36Å; L20-E24 PolarHBondContact O-N 3.4Å; L20-V44 HydrophobicContact CD2-CB 4.07Å; L20-V44 HydrophobicContact CD2-CG1 4.47Å; L20-V44 HydrophobicContact CD2-CG2 3.55Å |
| 21 | R | 94.6 | Very high | 93.1 | Very high | 210 Ų | 210 | 70.8 Ų | 70.8 | 79% | 0.792 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -70.4 | -43.8 | -179.9 | -66.6 | -178.4 | -178.2 | 172.4 | 1.2 | 110.4 | D19 E24 A25 | D19-R21 VanDerWaalsContact C-N 3.34Å; D19-R21 WeakPolarHBondContact OD1-CB 3.45Å; D19-R21 PolarHBondContact OD1-N 2.93Å; R21-E24 PolarHBondContact O-N 3.21Å; R21-A25 WeakPolarHBondContact O-CB 3.42Å; R21-A25 PolarHBondContact O-N 3.49Å |
| 22 | S | 96.6 | Very high | 93.1 | Very high | 47 Ų | 47 | 69.6 Ų | 69.6 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 175.7 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | D19 Y26 V111 | D19-S22 PolarHBondContact OD1-N 2.95Å; D19-S22 WeakPolarHBondContact OD2-CB 3.34Å; D19-S22 PolarHBondContact OD2-OG 3.47Å; S22-Y26 WeakPolarHBondContact O-CB 3.43Å; S22-Y26 PolarHBondContact O-N 3.19Å; S22-Y26 VanDerWaalsContact O-N 3.08Å; S22-V111 VanDerWaalsContact CB-O 3.22Å; S22-V111 WeakPolarHBondContact CB-O 3.28Å |
| 23 | L | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.2 | -51.8 | 172.7 | 179.4 | 62.6 | 0 | 0 | 0 | 111.6 | F18 D19 A25 Y26 L27 L58 L67 I112 F116 | F18-L23 HydrophobicContact CD2-CD2 4.33Å; F18-L23 HydrophobicContact CE2-CD2 3.54Å; F18-L23 HydrophobicContact CZ-CD2 4.31Å; D19-L23 PolarHBondContact O-N 2.95Å; D19-L23 VanDerWaalsContact O-N 3.08Å; L23-A25 PolarHBondContact O-N 3.43Å; L23-Y26 PolarHBondContact O-N 3.43Å; L23-L27 HydrophobicContact CD1-CD1 3.9Å; L23-L27 HydrophobicContact CD1-CD2 4.34Å; L23-L27 HydrophobicContact CD1-CG 3.91Å; L23-L27 HydrophobicContact CD2-CD1 4.4Å; L23-L27 HydrophobicContact CG-CD1 3.89Å; L23-L27 HydrophobicContact CG-CG 4.23Å; L23-L27 WeakPolarHBondContact O-CG 3.12Å; L23-L27 PolarHBondContact O-N 3.01Å; L23-L58 HydrophobicContact CD2-CD1 4.41Å; L23-L58 HydrophobicContact CD2-CD2 4.4Å; L23-L67 HydrophobicContact CD1-CD1 3.7Å; L23-L67 HydrophobicContact CD2-CD1 3.73Å; L23-L67 HydrophobicContact CG-CD1 4.39Å; L23-I112 HydrophobicContact CB-CG2 3.78Å; L23-I112 HydrophobicContact CD1-CG2 4.05Å; L23-I112 HydrophobicContact CG-CG2 4.43Å; L23-F116 HydrophobicContact CD1-CE2 3.78Å; L23-F116 HydrophobicContact CD1-CZ 3.75Å |
| 24 | E | 95.6 | Very high | 93.1 | Very high | 51 Ų | 51 | 68.3 Ų | 68.3 | 24% | 0.238 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | -176.9 | 177.4 | 163.7 | -150.5 | 0 | 0 | 112.1 | L20 R21 Y26 L27 N28 F34 L42 K60 | L20-E24 VanDerWaalsContact O-CB 3.29Å; L20-E24 WeakPolarHBondContact O-CB 3.36Å; L20-E24 PolarHBondContact O-N 3.4Å; R21-E24 PolarHBondContact O-N 3.21Å; E24-Y26 VanDerWaalsContact C-N 3.33Å; E24-Y26 PolarHBondContact O-N 2.86Å; E24-L27 PolarHBondContact O-N 3.25Å; E24-N28 WeakPolarHBondContact O-CB 3.43Å; E24-N28 VanDerWaalsContact O-CG 3.25Å; E24-N28 PolarHBondContact O-N 3.5Å; E24-N28 PolarHBondContact O-ND2 3.19Å; E24-N28 VanDerWaalsContact O-ND2 3.14Å; E24-F34 HydrophobicContact CG-CE1 4.38Å; E24-L42 HydrophobicContact CB-CD2 3.92Å; E24-L42 HydrophobicContact CG-CD2 4.48Å; E24-K60 IonicContact OE1-NZ 2.9Å; E24-K60 PolarHBondContact OE1-NZ 2.94Å |
| 25 | A | 95.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 65.2 Ų | 65.2 | 49% | 0.488 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R21 L23 N28 Q29 | R21-A25 WeakPolarHBondContact O-CB 3.42Å; R21-A25 PolarHBondContact O-N 3.49Å; L23-A25 PolarHBondContact O-N 3.43Å; A25-N28 PolarHBondContact O-N 3.34Å; A25-Q29 PolarHBondContact O-N 3.14Å |
| 26 | Y | 96.8 | Very high | 92.8 | Very high | 44 Ų | 44 | 64.3 Ų | 64.3 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 177.8 | -172.9 | -94.9 | 0 | 0 | 0 | 112.2 | S22 L23 E24 Q29 H30 L104 C106 V111 F116 | S22-Y26 WeakPolarHBondContact O-CB 3.43Å; S22-Y26 PolarHBondContact O-N 3.19Å; S22-Y26 VanDerWaalsContact O-N 3.08Å; L23-Y26 PolarHBondContact O-N 3.43Å; E24-Y26 VanDerWaalsContact C-N 3.33Å; E24-Y26 PolarHBondContact O-N 2.86Å; Y26-Q29 PolarHBondContact O-N 3.47Å; Y26-H30 AromaticContact CD2-CD2 3.5Å; Y26-H30 AromaticContact CD2-NE2 3.95Å; Y26-H30 HydrophobicContact CE1-CB 4.3Å; Y26-H30 AromaticContact CE2-CD2 3.36Å; Y26-H30 WeakPolarHBondContact CE2-CD2 3.23Å; Y26-H30 AromaticContact CE2-NE2 3.61Å; Y26-H30 AromaticContact CG-CD2 3.93Å; Y26-H30 AromaticContact CZ-CD2 3.67Å; Y26-H30 WeakPolarHBondContact O-CB 3.32Å; Y26-H30 PolarHBondContact O-CD2 2.87Å; Y26-H30 VanDerWaalsContact O-CD2 3.31Å; Y26-H30 PolarHBondContact O-N 2.84Å; Y26-L104 HydrophobicContact CD1-CD2 4.2Å; Y26-L104 HydrophobicContact CE1-CD2 3.74Å; Y26-L104 HydrophobicContact CE1-CG 4.48Å; Y26-C106 HydrophobicContact CE1-CB 3.78Å; Y26-C106 VanDerWaalsContact CZ-SG 3.58Å; Y26-V111 HydrophobicContact CD1-CG1 4.3Å; Y26-V111 HydrophobicContact CD2-CG1 3.98Å; Y26-V111 HydrophobicContact CD2-CG2 3.78Å; Y26-V111 HydrophobicContact CE2-CG2 3.98Å; Y26-V111 HydrophobicContact CG-CG1 3.7Å; Y26-V111 HydrophobicContact CG-CG2 4.32Å; Y26-F116 AromaticContact CD1-CZ 3.85Å; Y26-F116 HydrophobicContact CD1-CZ 3.85Å; Y26-F116 HydrophobicContact CE1-CZ 4Å |
| 27 | L | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 178.6 | -65.4 | -178.6 | 0 | 0 | 0 | 112.1 | L23 E24 Q29 H30 L31 F34 L58 L104 F116 V118 | L23-L27 HydrophobicContact CD1-CD1 3.9Å; L23-L27 HydrophobicContact CD1-CD2 4.34Å; L23-L27 HydrophobicContact CD1-CG 3.91Å; L23-L27 HydrophobicContact CD2-CD1 4.4Å; L23-L27 HydrophobicContact CG-CD1 3.89Å; L23-L27 HydrophobicContact CG-CG 4.23Å; L23-L27 WeakPolarHBondContact O-CG 3.12Å; L23-L27 PolarHBondContact O-N 3.01Å; E24-L27 PolarHBondContact O-N 3.25Å; L27-Q29 PolarHBondContact O-N 2.84Å; L27-H30 PolarHBondContact O-N 2.9Å; L27-L31 HydrophobicContact CD2-CD2 4.42Å; L27-L31 WeakPolarHBondContact O-CA 3.33Å; L27-L31 VanDerWaalsContact O-CB 3.26Å; L27-L31 WeakPolarHBondContact O-CB 3.44Å; L27-L31 PolarHBondContact O-N 3.28Å; L27-F34 HydrophobicContact CB-CD1 3.55Å; L27-F34 HydrophobicContact CB-CD2 4.26Å; L27-F34 HydrophobicContact CB-CE1 3.49Å; L27-F34 VanDerWaalsContact CB-CE1 3.49Å; L27-F34 HydrophobicContact CB-CE2 4.22Å; L27-F34 HydrophobicContact CB-CG 3.95Å; L27-F34 HydrophobicContact CB-CZ 3.84Å; L27-F34 HydrophobicContact CD1-CD2 4.42Å; L27-F34 HydrophobicContact CD1-CE1 4.11Å; L27-F34 HydrophobicContact CD1-CE2 3.75Å; L27-F34 HydrophobicContact CD1-CZ 3.57Å; L27-F34 HydrophobicContact CG-CE1 4.45Å; L27-F34 HydrophobicContact CG-CZ 4.37Å; L27-L58 HydrophobicContact CD1-CD1 4.05Å; L27-L104 HydrophobicContact CD2-CD2 3.73Å; L27-F116 HydrophobicContact CD2-CE2 4.45Å; L27-V118 HydrophobicContact CD2-CG2 3.95Å |
| 28 | N | 94.3 | Very high | 92 | Very high | 70 Ų | 70 | 66.3 Ų | 66.3 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.9 | -34.6 | 175 | -74.1 | -35.4 | 0 | 0 | 0 | 112.3 | E24 A25 F34 G35 K60 | E24-N28 WeakPolarHBondContact O-CB 3.43Å; E24-N28 VanDerWaalsContact O-CG 3.25Å; E24-N28 PolarHBondContact O-N 3.5Å; E24-N28 PolarHBondContact O-ND2 3.19Å; E24-N28 VanDerWaalsContact O-ND2 3.14Å; A25-N28 PolarHBondContact O-N 3.34Å; N28-F34 VanDerWaalsContact OD1-CD1 3.28Å; N28-F34 WeakPolarHBondContact OD1-CD1 3.43Å; N28-G35 WeakPolarHBondContact OD1-CA 3.36Å; N28-K60 PolarHBondContact OD1-NZ 2.91Å |
| 29 | Q | 95.1 | Very high | 91.6 | Very high | 151 Ų | 151 | 75.9 Ų | 75.9 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -80.8 | -37.3 | -179.6 | -175.6 | 175.4 | 9.2 | 0 | 0 | 113 | A25 Y26 L27 | A25-Q29 PolarHBondContact O-N 3.14Å; Y26-Q29 PolarHBondContact O-N 3.47Å; L27-Q29 PolarHBondContact O-N 2.84Å |
| 30 | H | 96.1 | Very high | 91.3 | Very high | 83 Ų | 83 | 72.7 Ų | 72.7 | 38% | 0.384 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -112.1 | -16.3 | -166.3 | -68.4 | -74.4 | 0 | 0 | 0 | 115.2 | Y26 L27 P32 L104 | Y26-H30 AromaticContact CD2-CD2 3.5Å; Y26-H30 AromaticContact CD2-NE2 3.95Å; Y26-H30 HydrophobicContact CE1-CB 4.3Å; Y26-H30 AromaticContact CE2-CD2 3.36Å; Y26-H30 WeakPolarHBondContact CE2-CD2 3.23Å; Y26-H30 AromaticContact CE2-NE2 3.61Å; Y26-H30 AromaticContact CG-CD2 3.93Å; Y26-H30 AromaticContact CZ-CD2 3.67Å; Y26-H30 WeakPolarHBondContact O-CB 3.32Å; Y26-H30 PolarHBondContact O-CD2 2.87Å; Y26-H30 VanDerWaalsContact O-CD2 3.31Å; Y26-H30 PolarHBondContact O-N 2.84Å; L27-H30 PolarHBondContact O-N 2.9Å; H30-P32 WeakPolarHBondContact O-CD 3.49Å; H30-L104 HydrophobicContact CB-CD1 4.1Å; H30-L104 HydrophobicContact CB-CD2 4.07Å |
| 31 | L | 94.8 | Very high | 91.2 | Very high | 8 Ų | 8 | 74.4 Ų | 74.4 | 4% | 0.042 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -106.4 | 106.9 | 179.6 | -176.3 | 58.5 | 0 | 0 | 0 | 110.3 | L27 G33 F34 Y65 L103 L104 V118 | L27-L31 HydrophobicContact CD2-CD2 4.42Å; L27-L31 WeakPolarHBondContact O-CA 3.33Å; L27-L31 VanDerWaalsContact O-CB 3.26Å; L27-L31 WeakPolarHBondContact O-CB 3.44Å; L27-L31 PolarHBondContact O-N 3.28Å; L31-G33 PolarHBondContact O-N 2.73Å; L31-F34 HydrophobicContact CB-CB 3.95Å; L31-F34 HydrophobicContact CD2-CB 4.04Å; L31-F34 HydrophobicContact CD2-CD2 3.75Å; L31-F34 HydrophobicContact CD2-CG 4.17Å; L31-F34 HydrophobicContact CG-CB 3.98Å; L31-F34 VanDerWaalsContact O-CB 3.32Å; L31-F34 WeakPolarHBondContact O-CB 3.45Å; L31-F34 PolarHBondContact O-N 2.89Å; L31-Y65 HydrophobicContact CD2-CD1 4.25Å; L31-Y65 HydrophobicContact CD2-CE1 3.96Å; L31-L103 HydrophobicContact CD1-CB 3.7Å; L31-L103 HydrophobicContact CD1-CD1 4.2Å; L31-L103 HydrophobicContact CD1-CG 4.38Å; L31-L104 HydrophobicContact CB-CD2 4.47Å; L31-V118 HydrophobicContact CD2-CG1 4.38Å |
| 32 | P | 91.5 | Very high | 91.2 | Very high | 123 Ų | 123 | 65 Ų | 65 | 80% | 0.799 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 131.7 | -180 | -27 | 35.5 | 0 | 0 | 0 | 112.3 | H30 F34 | H30-P32 WeakPolarHBondContact O-CD 3.49Å; P32-F34 VanDerWaalsContact C-N 3.27Å; P32-F34 PolarHBondContact O-N 3.23Å |
| 33 | G | 87.5 | Confident | 91.1 | Very high | 45 Ų | 45 | 66.4 Ų | 66.4 | 46% | 0.464 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -9.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L31 G35 S36 Q63 | L31-G33 PolarHBondContact O-N 2.73Å; G33-G35 PolarHBondContact O-N 2.84Å; G33-S36 WeakPolarHBondContact O-CB 3.24Å; G33-S36 PolarHBondContact O-N 2.89Å; G33-S36 PolarHBondContact O-OG 3.34Å; G33-Q63 PolarHBondContact O-NE2 3.16Å |
| 34 | F | 89.6 | Confident | 91.1 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 0% | 0.004 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -39.3 | -179.3 | -174.3 | -96.5 | 0 | 0 | 0 | 113 | E24 L27 N28 L31 P32 S36 L42 K60 Y65 | E24-F34 HydrophobicContact CG-CE1 4.38Å; L27-F34 HydrophobicContact CB-CD1 3.55Å; L27-F34 HydrophobicContact CB-CD2 4.26Å; L27-F34 HydrophobicContact CB-CE1 3.49Å; L27-F34 VanDerWaalsContact CB-CE1 3.49Å; L27-F34 HydrophobicContact CB-CE2 4.22Å; L27-F34 HydrophobicContact CB-CG 3.95Å; L27-F34 HydrophobicContact CB-CZ 3.84Å; L27-F34 HydrophobicContact CD1-CD2 4.42Å; L27-F34 HydrophobicContact CD1-CE1 4.11Å; L27-F34 HydrophobicContact CD1-CE2 3.75Å; L27-F34 HydrophobicContact CD1-CZ 3.57Å; L27-F34 HydrophobicContact CG-CE1 4.45Å; L27-F34 HydrophobicContact CG-CZ 4.37Å; N28-F34 VanDerWaalsContact OD1-CD1 3.28Å; N28-F34 WeakPolarHBondContact OD1-CD1 3.43Å; L31-F34 HydrophobicContact CB-CB 3.95Å; L31-F34 HydrophobicContact CD2-CB 4.04Å; L31-F34 HydrophobicContact CD2-CD2 3.75Å; L31-F34 HydrophobicContact CD2-CG 4.17Å; L31-F34 HydrophobicContact CG-CB 3.98Å; L31-F34 VanDerWaalsContact O-CB 3.32Å; L31-F34 WeakPolarHBondContact O-CB 3.45Å; L31-F34 PolarHBondContact O-N 2.89Å; P32-F34 VanDerWaalsContact C-N 3.27Å; P32-F34 PolarHBondContact O-N 3.23Å; F34-S36 PolarHBondContact O-N 3.06Å; F34-L42 HydrophobicContact CE2-CD1 4.5Å; F34-L42 HydrophobicContact CZ-CD1 3.96Å; F34-L42 HydrophobicContact CZ-CD2 4.24Å; F34-K60 HydrophobicContact CD1-CD 4Å; F34-K60 HydrophobicContact CE1-CD 3.53Å; F34-K60 HydrophobicContact CE2-CB 4.36Å; F34-K60 HydrophobicContact CE2-CD 4.2Å; F34-K60 HydrophobicContact CZ-CB 4.38Å; F34-K60 HydrophobicContact CZ-CD 3.65Å; F34-Y65 HydrophobicContact CD2-CD2 4.11Å; F34-Y65 AromaticContact CD2-CE2 3.4Å; F34-Y65 HydrophobicContact CD2-CE2 3.4Å; F34-Y65 AromaticContact CD2-CZ 3.63Å; F34-Y65 AromaticContact CE2-CD2 3.89Å; F34-Y65 HydrophobicContact CE2-CD2 3.89Å; F34-Y65 AromaticContact CE2-CE2 3.53Å; F34-Y65 HydrophobicContact CE2-CE2 3.53Å |
| 35 | G | 81.2 | Confident | 91.1 | Very high | 36 Ų | 36 | 67 Ų | 67 | 37% | 0.371 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 13.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | N28 G33 D37 | N28-G35 WeakPolarHBondContact OD1-CA 3.36Å; G33-G35 PolarHBondContact O-N 2.84Å; G35-D37 VanDerWaalsContact C-N 3.31Å; G35-D37 PolarHBondContact O-N 3.21Å |
| 36 | S | 84.4 | Confident | 91 | Very high | 92 Ų | 92 | 64.7 Ų | 64.7 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -64.5 | -33.9 | -174.5 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | G33 F34 Q63 | G33-S36 WeakPolarHBondContact O-CB 3.24Å; G33-S36 PolarHBondContact O-N 2.89Å; G33-S36 PolarHBondContact O-OG 3.34Å; F34-S36 PolarHBondContact O-N 3.06Å; S36-Q63 PolarHBondContact OG-NE2 3.32Å; S36-Q63 VanDerWaalsContact OG-NE2 3.15Å |
| 37 | D | 84.1 | Confident | 90.6 | Very high | 75 Ų | 75 | 64.1 Ų | 64.1 | 40% | 0.401 | 37% | 0.368 | S | S | . | . | trans | -103 | 95.2 | 169.6 | -171.4 | -11.2 | 0 | 0 | 0 | 109.9 | G35 R39 A40 | G35-D37 VanDerWaalsContact C-N 3.31Å; G35-D37 PolarHBondContact O-N 3.21Å; D37-R39 PolarHBondContact O-N 3.49Å; D37-R39 PolarHBondContact OD1-N 3.36Å; D37-A40 HydrophobicContact CB-CB 3.91Å; D37-A40 PolarHBondContact O-N 2.88Å; D37-A40 PolarHBondContact OD1-N 3.49Å | ||
| 38 | S | 79 | Confident | 89.9 | Confident | 112 Ų | 112 | 71.7 Ų | 71.7 | 78% | 0.783 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -14.3 | -179.6 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 39 | R | 85.3 | Confident | 88.7 | Confident | 228 Ų | 228 | 71.9 Ų | 71.9 | 86% | 0.86 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -18.1 | 178.7 | -64 | -176.8 | -177.6 | 175.3 | 1.4 | 112.4 | D37 V41 | D37-R39 PolarHBondContact O-N 3.49Å; D37-R39 PolarHBondContact OD1-N 3.36Å; R39-V41 PolarHBondContact O-N 3.39Å |
| 40 | A | 89.2 | Confident | 87.2 | Confident | 15 Ų | 15 | 65.6 Ų | 65.6 | 12% | 0.124 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 126.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D37 K60 | D37-A40 HydrophobicContact CB-CB 3.91Å; D37-A40 PolarHBondContact O-N 2.88Å; D37-A40 PolarHBondContact OD1-N 3.49Å; A40-K60 HydrophobicContact CB-CG 3.96Å |
| 41 | V | 91.6 | Very high | 85.7 | Confident | 112 Ų | 112 | 65.1 Ų | 65.1 | 68% | 0.679 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 132.4 | 173.6 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | R39 T43 | R39-V41 PolarHBondContact O-N 3.39Å; V41-T43 PolarHBondContact O-N 3.08Å |
| 42 | L | 94.7 | Very high | 84.7 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 7% | 0.073 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 120 | 169.5 | 176.7 | 61.4 | 0 | 0 | 0 | 110 | E24 F34 V44 L58 Q59 K60 | E24-L42 HydrophobicContact CB-CD2 3.92Å; E24-L42 HydrophobicContact CG-CD2 4.48Å; F34-L42 HydrophobicContact CE2-CD1 4.5Å; F34-L42 HydrophobicContact CZ-CD1 3.96Å; F34-L42 HydrophobicContact CZ-CD2 4.24Å; L42-V44 HydrophobicContact CD1-CG2 4.45Å; L42-V44 HydrophobicContact CD2-CG2 4.42Å; L42-V44 HydrophobicContact CG-CG2 4.11Å; L42-L58 HydrophobicContact CD1-CB 4.13Å; L42-Q59 WeakPolarHBondContact CA-O 3.43Å; L42-K60 HydrophobicContact CD1-CB 4.31Å |
| 43 | T | 94.4 | Very high | 84.3 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 46% | 0.46 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 145.2 | 169.7 | 66.2 | 0 | 0 | 0 | 0 | 110.6 | V41 L58 Q59 | V41-T43 PolarHBondContact O-N 3.08Å; T43-L58 WeakPolarHBondContact O-CA 3.5Å; T43-Q59 PolarHBondContact N-O 2.61Å; T43-Q59 PolarHBondContact O-N 3.19Å; T43-Q59 WeakPolarHBondContact OG1-CB 3.5Å |
| 44 | V | 96.4 | Very high | 84.4 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 15% | 0.145 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 124.8 | -175.3 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | V12 F18 L20 L42 F56 F57 L58 | V12-V44 HydrophobicContact CG2-CG1 3.95Å; F18-V44 HydrophobicContact CZ-CG1 4.07Å; L20-V44 HydrophobicContact CD2-CB 4.07Å; L20-V44 HydrophobicContact CD2-CG1 4.47Å; L20-V44 HydrophobicContact CD2-CG2 3.55Å; L42-V44 HydrophobicContact CD1-CG2 4.45Å; L42-V44 HydrophobicContact CD2-CG2 4.42Å; L42-V44 HydrophobicContact CG-CG2 4.11Å; V44-F56 HydrophobicContact CG1-CB 4.15Å; V44-F56 HydrophobicContact CG1-CD1 4.28Å; V44-F57 WeakPolarHBondContact CA-O 3.4Å; V44-L58 HydrophobicContact CB-CD2 4.09Å; V44-L58 HydrophobicContact CG1-CD2 3.74Å; V44-L58 HydrophobicContact CG2-CD2 3.46Å; V44-L58 VanDerWaalsContact CG2-CD2 3.46Å |
| 45 | T | 95.3 | Very high | 84.6 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 159.5 | 169.4 | 59.7 | 0 | 0 | 0 | 0 | 109.6 | T9 V10 F56 F57 | T9-T45 VanDerWaalsContact CB-OG1 3.28Å; T9-T45 WeakPolarHBondContact CB-OG1 2.94Å; T9-T45 PolarHBondContact OG1-OG1 3.36Å; V10-T45 WeakPolarHBondContact O-CB 3.47Å; T45-F56 CarbonylContact O-C 3.48Å; T45-F56 VanDerWaalsContact O-CA 3.22Å; T45-F56 WeakPolarHBondContact O-CA 3.43Å; T45-F56 WeakPolarHBondContact O-CB 3.2Å; T45-F57 PolarHBondContact N-O 3.43Å; T45-F57 PolarHBondContact O-N 3.39Å |
| 46 | Q | 93.1 | Very high | 85.2 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 136.6 | -179.4 | -170.1 | -172.4 | -41.7 | 0 | 0 | 110.1 | T9 V10 V12 L13 H16 T55 F56 | T9-Q46 CarbonylContact C-O 3.51Å; T9-Q46 WeakPolarHBondContact CA-O 3.18Å; T9-Q46 WeakPolarHBondContact CB-O 3.4Å; V10-Q46 HydrophobicContact CG2-CB 4.3Å; V10-Q46 WeakPolarHBondContact CG2-O 3.42Å; V10-Q46 PolarHBondContact N-O 3.14Å; V10-Q46 PolarHBondContact O-N 3.06Å; V12-Q46 HydrophobicContact CG2-CB 4.4Å; L13-Q46 VanDerWaalsContact N-OE1 3.08Å; H16-Q46 PolarHBondContact ND1-NE2 3.3Å; H16-Q46 VanDerWaalsContact ND1-NE2 3.11Å; H16-Q46 PolarHBondContact ND1-OE1 3.44Å; H16-Q46 VanDerWaalsContact ND1-OE1 3.15Å; Q46-T55 WeakPolarHBondContact CG-O 3.35Å; Q46-F56 HydrophobicContact CB-CD1 3.82Å; Q46-F56 HydrophobicContact CB-CE1 3.94Å; Q46-F56 HydrophobicContact CG-CD1 3.84Å; Q46-F56 HydrophobicContact CG-CE1 3.64Å; Q46-F56 HydrophobicContact CG-CZ 4.36Å |
| 47 | Y | 89.6 | Confident | 85.8 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 13% | 0.125 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 145.1 | 171.1 | -72.7 | -78.4 | 0 | 0 | 0 | 111 | D8 T9 S49 T55 F57 V66 H121 | D8-Y47 HydrophobicContact CB-CD1 4.49Å; T9-Y47 HydrophobicContact CG2-CD1 3.59Å; T9-Y47 HydrophobicContact CG2-CE1 3.64Å; T9-Y47 HydrophobicContact CG2-CG 4.09Å; Y47-S49 VanDerWaalsContact C-N 3.31Å; Y47-T55 HydrophobicContact CD2-CG2 3.7Å; Y47-T55 HydrophobicContact CE2-CG2 4.26Å; Y47-T55 PolarHBondContact N-O 2.97Å; Y47-F57 HydrophobicContact CE2-CB 3.82Å; Y47-F57 WeakPolarHBondContact OH-CD2 3.5Å; Y47-V66 HydrophobicContact CE2-CG1 4.16Å; Y47-V66 HydrophobicContact CE2-CG2 4.2Å; Y47-H121 PolarHBondContact OH-CD2 3.25Å; Y47-H121 PolarHBondContact OH-NE2 3.11Å |
| 48 | R | 79.9 | Confident | 86.3 | Confident | 159 Ų | 159 | 51 Ų | 51 | 60% | 0.6 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -68.5 | -32.3 | 174.1 | -66.2 | 177.7 | -176.3 | -88.7 | 1.1 | 112.2 | D8 V10 | D8-R48 PolarHBondContact O-N 3.45Å; D8-R48 VanDerWaalsContact O-N 3.09Å; V10-R48 HydrophobicContact CG1-CG 3.74Å; V10-R48 VanDerWaalsContact CG1-NH2 3.27Å; V10-R48 HydrophobicContact CG2-CG 4.43Å |
| 49 | S | 70.7 | Confident | 87.1 | Confident | 73 Ų | 73 | 47.8 Ų | 47.8 | 51% | 0.51 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -85.3 | 178.5 | 174.8 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | Y47 | Y47-S49 VanDerWaalsContact C-N 3.31Š|
| 50 | G | 62.3 | Low | 87.4 | Confident | 19 Ų | 19 | 37.3 Ų | 37.3 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | trans | 73.6 | 35.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S52 N53 | G50-S52 PolarHBondContact O-N 3.45Å; G50-N53 CarbonylContact O-C 3.48Å; G50-N53 PolarHBondContact O-N 2.84Å | ||
| 51 | Q | 64.6 | Low | 87.4 | Confident | 74 Ų | 74 | 38.4 Ų | 38.4 | 35% | 0.346 | 22% | 0.218 | S | C | . | . | trans | -68.2 | -20.9 | -174.2 | -62.5 | -149.2 | -28.3 | 0 | 0 | 114.4 | S332 | Q51-S332 VanDerWaalsContact CD-O 3.26Å; Q51-S332 PolarHBondContact NE2-O 2.88Å; Q51-S332 PolarHBondContact OE1-O 3.29Å; Q51-S332 PolarHBondContact OE1-OG 3.45Å | ||
| 52 | S | 74.1 | Confident | 87.2 | Confident | 42 Ų | 42 | 38.7 Ų | 38.7 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -61.7 | -48.9 | 172.7 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | G50 P71 H80 E242 | G50-S52 PolarHBondContact O-N 3.45Å; S52-P71 WeakPolarHBondContact O-CG 3.42Å; S52-H80 PolarHBondContact O-CE1 2.85Å; S52-H80 PolarHBondContact O-ND1 3.36Å; S52-E242 WeakPolarHBondContact CB-OE2 3.03Å; S52-E242 PolarHBondContact OG-OE1 2.75Å; S52-E242 VanDerWaalsContact OG-OE1 3.07Å; S52-E242 PolarHBondContact OG-OE2 3.5Å |
| 53 | N | 83.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -128.9 | 108.4 | 176.8 | -70.8 | -36.3 | 0 | 0 | 0 | 109 | G50 T55 R68 P71 H80 I82 E85 | G50-N53 CarbonylContact O-C 3.48Å; G50-N53 PolarHBondContact O-N 2.84Å; N53-T55 PolarHBondContact O-N 3.07Å; N53-T55 PolarHBondContact O-OG1 3.29Å; N53-R68 HydrophobicContact CB-CG 4.05Å; N53-P71 WeakPolarHBondContact OD1-CD 3.46Å; N53-H80 VanDerWaalsContact OD1-CB 3.32Å; N53-H80 WeakPolarHBondContact OD1-CB 3.36Å; N53-H80 PolarHBondContact OD1-ND1 3.03Å; N53-I82 HydrophobicContact CB-CG2 4.37Å; N53-E85 PolarHBondContact ND2-OE1 2.69Å |
| 54 | P | 89.6 | Confident | 87.1 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | trans | -49.4 | 126 | -174.4 | -29.5 | 33.6 | 0 | 0 | 0 | 112.4 | H16 F56 K69 | H16-P54 WeakPolarHBondContact NE2-CG 3.48Å; P54-F56 HydrophobicContact CB-CE2 3.59Å; P54-F56 HydrophobicContact CB-CZ 3.55Å; P54-F56 WeakPolarHBondContact O-CE2 3.41Å; P54-K69 HydrophobicContact CB-CG 4.27Å; P54-K69 WeakPolarHBondContact CD-O 3.47Å; P54-K69 PolarHBondContact O-N 3.32Å | ||
| 55 | T | 93 | Very high | 87.1 | Confident | 16 Ų | 16 | 38 Ų | 38 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132 | -173.9 | -52.8 | 0 | 0 | 0 | 0 | 109.2 | Q46 Y47 N53 V66 L67 R68 | Q46-T55 WeakPolarHBondContact CG-O 3.35Å; Y47-T55 HydrophobicContact CD2-CG2 3.7Å; Y47-T55 HydrophobicContact CE2-CG2 4.26Å; Y47-T55 PolarHBondContact N-O 2.97Å; N53-T55 PolarHBondContact O-N 3.07Å; N53-T55 PolarHBondContact O-OG1 3.29Å; T55-V66 HydrophobicContact CG2-CG1 3.46Å; T55-V66 VanDerWaalsContact CG2-CG1 3.46Å; T55-L67 CarbonylContact C-O 3.57Å; T55-L67 WeakPolarHBondContact CA-O 3.35Å; T55-R68 PolarHBondContact OG1-NE 2.87Å |
| 56 | F | 95.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 140.4 | -172.3 | -52.4 | -90.6 | 0 | 0 | 0 | 110.7 | V12 H16 F18 V44 T45 Q46 P54 L58 V66 L67 K69 | V12-F56 HydrophobicContact CG1-CE1 3.91Å; V12-F56 HydrophobicContact CG2-CD1 4.07Å; V12-F56 HydrophobicContact CG2-CE1 4.25Å; H16-F56 HydrophobicContact CB-CE1 4.24Å; H16-F56 HydrophobicContact CB-CZ 4.01Å; F18-F56 HydrophobicContact CD1-CZ 4.49Å; F18-F56 HydrophobicContact CE1-CD1 4.01Å; F18-F56 HydrophobicContact CE1-CD2 4.09Å; F18-F56 AromaticContact CE1-CE1 3.82Å; F18-F56 HydrophobicContact CE1-CE1 3.82Å; F18-F56 AromaticContact CE1-CE2 3.91Å; F18-F56 HydrophobicContact CE1-CE2 3.91Å; F18-F56 HydrophobicContact CE1-CG 4.15Å; F18-F56 AromaticContact CE1-CZ 3.77Å; F18-F56 HydrophobicContact CE1-CZ 3.77Å; F18-F56 HydrophobicContact CZ-CD1 4.36Å; F18-F56 HydrophobicContact CZ-CD2 4.47Å; F18-F56 HydrophobicContact CZ-CG 4.31Å; V44-F56 HydrophobicContact CG1-CB 4.15Å; V44-F56 HydrophobicContact CG1-CD1 4.28Å; T45-F56 CarbonylContact O-C 3.48Å; T45-F56 VanDerWaalsContact O-CA 3.22Å; T45-F56 WeakPolarHBondContact O-CA 3.43Å; T45-F56 WeakPolarHBondContact O-CB 3.2Å; Q46-F56 HydrophobicContact CB-CD1 3.82Å; Q46-F56 HydrophobicContact CB-CE1 3.94Å; Q46-F56 HydrophobicContact CG-CD1 3.84Å; Q46-F56 HydrophobicContact CG-CE1 3.64Å; Q46-F56 HydrophobicContact CG-CZ 4.36Å; P54-F56 HydrophobicContact CB-CE2 3.59Å; P54-F56 HydrophobicContact CB-CZ 3.55Å; P54-F56 WeakPolarHBondContact O-CE2 3.41Å; F56-L58 HydrophobicContact CB-CD2 4.44Å; F56-V66 CarbonylContact O-C 3.59Å; F56-V66 VanDerWaalsContact O-CA 3.31Å; F56-V66 WeakPolarHBondContact O-CA 3.42Å; F56-L67 HydrophobicContact CB-CB 4.42Å; F56-L67 HydrophobicContact CD2-CD2 3.6Å; F56-L67 WeakPolarHBondContact CD2-O 3.35Å; F56-L67 HydrophobicContact CE2-CD2 4.19Å; F56-L67 HydrophobicContact CG-CD2 4.49Å; F56-L67 PolarHBondContact N-O 3.16Å; F56-L67 PolarHBondContact O-N 2.92Å; F56-K69 HydrophobicContact CE2-CD 3.58Å; F56-K69 HydrophobicContact CE2-CG 3.84Å; F56-K69 HydrophobicContact CZ-CD 4.01Å |
| 57 | F | 96.1 | Very high | 87.3 | Confident | 22 Ų | 22 | 36 Ų | 36 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 128.7 | 166.7 | 178.4 | -106.6 | 0 | 0 | 0 | 108.7 | V5 T9 V44 T45 Y47 Q59 A64 H121 | V5-F57 HydrophobicContact CG1-CB 4.49Å; V5-F57 HydrophobicContact CG1-CD1 3.79Å; V5-F57 HydrophobicContact CG1-CD2 3.82Å; V5-F57 HydrophobicContact CG1-CE1 3.83Å; V5-F57 HydrophobicContact CG1-CE2 3.85Å; V5-F57 HydrophobicContact CG1-CG 3.77Å; V5-F57 HydrophobicContact CG1-CZ 3.86Å; V5-F57 HydrophobicContact CG2-CE2 4.45Å; T9-F57 HydrophobicContact CG2-CB 4.05Å; V44-F57 WeakPolarHBondContact CA-O 3.4Å; T45-F57 PolarHBondContact N-O 3.43Å; T45-F57 PolarHBondContact O-N 3.39Å; Y47-F57 HydrophobicContact CE2-CB 3.82Å; Y47-F57 WeakPolarHBondContact OH-CD2 3.5Å; F57-Q59 HydrophobicContact CE1-CB 3.8Å; F57-Q59 HydrophobicContact CZ-CB 4.25Å; F57-A64 HydrophobicContact CE2-CB 3.83Å; F57-A64 HydrophobicContact CZ-CB 4.01Å; F57-H121 AromaticContact CD2-CD2 3.71Å; F57-H121 HydrophobicContact CE2-CB 4.39Å; F57-H121 AromaticContact CE2-CD2 3.67Å; F57-H121 AromaticContact CE2-CG 3.78Å; F57-H121 AromaticContact CE2-NE2 3.85Å |
| 58 | L | 95.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.9 | 176 | -52.4 | -176.3 | 0 | 0 | 0 | 108.7 | L23 L27 L42 T43 V44 F56 A64 Y65 L67 | L23-L58 HydrophobicContact CD2-CD1 4.41Å; L23-L58 HydrophobicContact CD2-CD2 4.4Å; L27-L58 HydrophobicContact CD1-CD1 4.05Å; L42-L58 HydrophobicContact CD1-CB 4.13Å; T43-L58 WeakPolarHBondContact O-CA 3.5Å; V44-L58 HydrophobicContact CB-CD2 4.09Å; V44-L58 HydrophobicContact CG1-CD2 3.74Å; V44-L58 HydrophobicContact CG2-CD2 3.46Å; V44-L58 VanDerWaalsContact CG2-CD2 3.46Å; F56-L58 HydrophobicContact CB-CD2 4.44Å; L58-A64 WeakPolarHBondContact O-CA 3.3Å; L58-Y65 HydrophobicContact CB-CD2 4.43Å; L58-Y65 PolarHBondContact N-O 2.53Å; L58-Y65 PolarHBondContact O-N 3.27Å; L58-L67 HydrophobicContact CD1-CB 3.79Å; L58-L67 HydrophobicContact CD1-CD1 4.06Å; L58-L67 HydrophobicContact CD2-CB 4.37Å; L58-L67 HydrophobicContact CG-CB 4.06Å |
| 59 | Q | 93.9 | Very high | 88.2 | Confident | 46 Ų | 46 | 27.8 Ų | 27.8 | 22% | 0.215 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.3 | 173.4 | -175.2 | 73.4 | 34.2 | 0 | 0 | 109.8 | L42 T43 F57 G61 Q63 | L42-Q59 WeakPolarHBondContact CA-O 3.43Å; T43-Q59 PolarHBondContact N-O 2.61Å; T43-Q59 PolarHBondContact O-N 3.19Å; T43-Q59 WeakPolarHBondContact OG1-CB 3.5Å; F57-Q59 HydrophobicContact CE1-CB 3.8Å; F57-Q59 HydrophobicContact CZ-CB 4.25Å; Q59-G61 PolarHBondContact NE2-O 2.93Å; Q59-Q63 PolarHBondContact NE2-O 3.44Å |
| 60 | K | 92.2 | Very high | 89.1 | Confident | 7 Ų | 7 | 27.4 Ų | 27.4 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 106.2 | 172.1 | -173.4 | 165.9 | 177.5 | 164.5 | 0 | 109.6 | E24 N28 F34 A40 L42 S62 Q63 | E24-K60 IonicContact OE1-NZ 2.9Å; E24-K60 PolarHBondContact OE1-NZ 2.94Å; N28-K60 PolarHBondContact OD1-NZ 2.91Å; F34-K60 HydrophobicContact CD1-CD 4Å; F34-K60 HydrophobicContact CE1-CD 3.53Å; F34-K60 HydrophobicContact CE2-CB 4.36Å; F34-K60 HydrophobicContact CE2-CD 4.2Å; F34-K60 HydrophobicContact CZ-CB 4.38Å; F34-K60 HydrophobicContact CZ-CD 3.65Å; A40-K60 HydrophobicContact CB-CG 3.96Å; L42-K60 HydrophobicContact CD1-CB 4.31Å; K60-S62 PolarHBondContact O-N 3Å; K60-Q63 PolarHBondContact N-O 3.48Å; K60-Q63 PolarHBondContact O-N 2.82Å |
| 61 | G | 89.9 | Confident | 90.2 | Very high | 38 Ų | 38 | 27.4 Ų | 27.4 | 39% | 0.392 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | -123.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110 | Q59 | Q59-G61 PolarHBondContact NE2-O 2.93Š|
| 62 | S | 87.9 | Confident | 90.8 | Very high | 118 Ų | 118 | 27 Ų | 27 | 83% | 0.825 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -7.6 | 172.9 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | K60 | K60-S62 PolarHBondContact O-N 3Š|
| 63 | Q | 91.4 | Very high | 90.8 | Very high | 59 Ų | 59 | 28.2 Ų | 28.2 | 28% | 0.276 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 134.2 | -175.9 | -61.6 | -176.5 | 71.3 | 0 | 0 | 111.4 | G33 S36 Q59 K60 Y65 | G33-Q63 PolarHBondContact O-NE2 3.16Å; S36-Q63 PolarHBondContact OG-NE2 3.32Å; S36-Q63 VanDerWaalsContact OG-NE2 3.15Å; Q59-Q63 PolarHBondContact NE2-O 3.44Å; K60-Q63 PolarHBondContact N-O 3.48Å; K60-Q63 PolarHBondContact O-N 2.82Å; Q63-Y65 HydrophobicContact CB-CE2 3.76Å; Q63-Y65 WeakPolarHBondContact CB-OH 3.44Å; Q63-Y65 VanDerWaalsContact CD-OH 3.25Å; Q63-Y65 PolarHBondContact OE1-OH 3.47Å |
| 64 | A | 94.1 | Very high | 90 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 23% | 0.231 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | F57 L58 H121 | F57-A64 HydrophobicContact CE2-CB 3.83Å; F57-A64 HydrophobicContact CZ-CB 4.01Å; L58-A64 WeakPolarHBondContact O-CA 3.3Å; A64-H121 HydrophobicContact CB-CB 3.71Å; A64-H121 WeakPolarHBondContact O-CB 3.18Å; A64-H121 PolarHBondContact O-N 2.84Å |
| 65 | Y | 96.7 | Very high | 89 | Confident | 13 Ų | 13 | 36.9 Ų | 36.9 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 162.9 | -179.9 | -44.9 | -88.4 | 0 | 0 | 0 | 111.1 | L31 F34 L58 Q63 L103 V118 M119 | L31-Y65 HydrophobicContact CD2-CD1 4.25Å; L31-Y65 HydrophobicContact CD2-CE1 3.96Å; F34-Y65 HydrophobicContact CD2-CD2 4.11Å; F34-Y65 AromaticContact CD2-CE2 3.4Å; F34-Y65 HydrophobicContact CD2-CE2 3.4Å; F34-Y65 AromaticContact CD2-CZ 3.63Å; F34-Y65 AromaticContact CE2-CD2 3.89Å; F34-Y65 HydrophobicContact CE2-CD2 3.89Å; F34-Y65 AromaticContact CE2-CE2 3.53Å; F34-Y65 HydrophobicContact CE2-CE2 3.53Å; L58-Y65 HydrophobicContact CB-CD2 4.43Å; L58-Y65 PolarHBondContact N-O 2.53Å; L58-Y65 PolarHBondContact O-N 3.27Å; Q63-Y65 HydrophobicContact CB-CE2 3.76Å; Q63-Y65 WeakPolarHBondContact CB-OH 3.44Å; Q63-Y65 VanDerWaalsContact CD-OH 3.25Å; Q63-Y65 PolarHBondContact OE1-OH 3.47Å; Y65-L103 HydrophobicContact CD1-CD1 3.54Å; Y65-L103 HydrophobicContact CE1-CD1 3.9Å; Y65-V118 HydrophobicContact CD1-CG1 4.39Å; Y65-V118 HydrophobicContact CG-CG1 4.34Å; Y65-M119 WeakPolarHBondContact CA-O 3Å |
| 66 | V | 96.4 | Very high | 87.6 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.1 | 169.7 | -178 | 0 | 0 | 0 | 0 | 109 | Y47 T55 F56 V118 M119 H121 | Y47-V66 HydrophobicContact CE2-CG1 4.16Å; Y47-V66 HydrophobicContact CE2-CG2 4.2Å; T55-V66 HydrophobicContact CG2-CG1 3.46Å; T55-V66 VanDerWaalsContact CG2-CG1 3.46Å; F56-V66 CarbonylContact O-C 3.59Å; F56-V66 VanDerWaalsContact O-CA 3.31Å; F56-V66 WeakPolarHBondContact O-CA 3.42Å; V66-V118 CarbonylContact O-C 3.43Å; V66-V118 WeakPolarHBondContact O-CA 3.28Å; V66-M119 HydrophobicContact CB-CE 3.71Å; V66-M119 HydrophobicContact CB-CG 3.87Å; V66-M119 HydrophobicContact CG1-CE 3.43Å; V66-M119 VanDerWaalsContact CG1-CE 3.43Å; V66-M119 HydrophobicContact CG1-CG 4.49Å; V66-M119 HydrophobicContact CG2-CE 4.42Å; V66-M119 PolarHBondContact N-O 2.67Å; V66-M119 PolarHBondContact O-N 2.98Å; V66-H121 HydrophobicContact CG2-CB 4.13Å |
| 67 | L | 96.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.8 | 173.3 | -178.3 | 153.7 | 0 | 0 | 0 | 109.3 | L23 T55 F56 L58 K69 F116 Y117 V118 | L23-L67 HydrophobicContact CD1-CD1 3.7Å; L23-L67 HydrophobicContact CD2-CD1 3.73Å; L23-L67 HydrophobicContact CG-CD1 4.39Å; T55-L67 CarbonylContact C-O 3.57Å; T55-L67 WeakPolarHBondContact CA-O 3.35Å; F56-L67 HydrophobicContact CB-CB 4.42Å; F56-L67 HydrophobicContact CD2-CD2 3.6Å; F56-L67 WeakPolarHBondContact CD2-O 3.35Å; F56-L67 HydrophobicContact CE2-CD2 4.19Å; F56-L67 HydrophobicContact CG-CD2 4.49Å; F56-L67 PolarHBondContact N-O 3.16Å; F56-L67 PolarHBondContact O-N 2.92Å; L58-L67 HydrophobicContact CD1-CB 3.79Å; L58-L67 HydrophobicContact CD1-CD1 4.06Å; L58-L67 HydrophobicContact CD2-CB 4.37Å; L58-L67 HydrophobicContact CG-CB 4.06Å; L67-K69 HydrophobicContact CD2-CB 3.93Å; L67-F116 HydrophobicContact CD1-CD2 3.68Å; L67-F116 HydrophobicContact CD1-CE2 4.09Å; L67-F116 HydrophobicContact CD1-CG 4.3Å; L67-F116 HydrophobicContact CD2-CB 4.18Å; L67-F116 HydrophobicContact CG-CB 4.33Å; L67-F116 HydrophobicContact CG-CD2 4.01Å; L67-F116 HydrophobicContact CG-CG 4.49Å; L67-Y117 WeakPolarHBondContact CA-O 3.35Å; L67-V118 HydrophobicContact CB-CG2 4.36Å; L67-V118 HydrophobicContact CD1-CG2 4.15Å; L67-V118 HydrophobicContact CG-CG2 4.29Å |
| 68 | R | 95.3 | Very high | 84.4 | Confident | 11 Ų | 11 | 56 Ų | 56 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.7 | 173.1 | -156.1 | 172 | -161.8 | -171.3 | 5.8 | 108.5 | N53 T55 E85 F116 Y117 D240 | N53-R68 HydrophobicContact CB-CG 4.05Å; T55-R68 PolarHBondContact OG1-NE 2.87Å; R68-E85 IonicContact CZ-OE2 2.98Å; R68-E85 IonicContact NE-OE2 3.72Å; R68-E85 IonicContact NH1-OE2 3.81Å; R68-E85 PolarHBondContact NH1-OE2 2.91Å; R68-F116 CarbonylContact O-C 3.54Å; R68-F116 VanDerWaalsContact O-CA 3.29Å; R68-F116 WeakPolarHBondContact O-CA 3.44Å; R68-F116 WeakPolarHBondContact O-CB 3.37Å; R68-Y117 HydrophobicContact CB-CD1 4.17Å; R68-Y117 HydrophobicContact CB-CE1 3.62Å; R68-Y117 HydrophobicContact CB-CE2 4.19Å; R68-Y117 WeakPolarHBondContact CD-OH 3.25Å; R68-Y117 HydrophobicContact CG-CE1 4.18Å; R68-Y117 PolarHBondContact N-O 3.42Å; R68-Y117 PolarHBondContact O-N 2.85Å; R68-D240 IonicContact CZ-OD1 2.68Å; R68-D240 VanDerWaalsContact CZ-OD1 3.31Å; R68-D240 IonicContact NH1-OD1 3.62Å; R68-D240 PolarHBondContact NH1-OD1 3.34Å; R68-D240 VanDerWaalsContact NH2-CG 3.31Å; R68-D240 IonicContact NH2-OD1 3.48Å; R68-D240 PolarHBondContact NH2-OD1 3.18Å; R68-D240 IonicContact NH2-OD2 3.18Å |
| 69 | K | 92.2 | Very high | 83 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 155.4 | -177.1 | 85.7 | -170.2 | -176 | 77.2 | 0 | 111.4 | H16 F18 P54 F56 L67 I112 T114 E115 F116 | H16-K69 WeakPolarHBondContact O-CE 3.39Å; F18-K69 HydrophobicContact CD1-CD 3.88Å; F18-K69 HydrophobicContact CE1-CD 4.07Å; P54-K69 HydrophobicContact CB-CG 4.27Å; P54-K69 WeakPolarHBondContact CD-O 3.47Å; P54-K69 PolarHBondContact O-N 3.32Å; F56-K69 HydrophobicContact CE2-CD 3.58Å; F56-K69 HydrophobicContact CE2-CG 3.84Å; F56-K69 HydrophobicContact CZ-CD 4.01Å; L67-K69 HydrophobicContact CD2-CB 3.93Å; K69-I112 HydrophobicContact CB-CD1 4.46Å; K69-I112 HydrophobicContact CD-CD1 4.34Å; K69-T114 HydrophobicContact CB-CG2 3.81Å; K69-T114 HydrophobicContact CD-CG2 3.84Å; K69-T114 HydrophobicContact CG-CG2 3.83Å; K69-E115 WeakPolarHBondContact CA-O 3.3Å; K69-F116 HydrophobicContact CB-CB 3.78Å |
| 70 | K | 89.6 | Confident | 82.2 | Confident | 64 Ų | 64 | 58.1 Ų | 58.1 | 28% | 0.278 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 138.3 | 175.1 | 173.7 | 179.7 | -174.9 | -177.7 | 0 | 109.8 | L75 H80 I82 T114 E115 | K70-L75 HydrophobicContact CD-CD1 4.14Å; K70-L75 VanDerWaalsContact CE-CD1 3.43Å; K70-L75 HydrophobicContact CG-CD1 3.62Å; K70-H80 HydrophobicContact CG-CB 4.19Å; K70-I82 HydrophobicContact CB-CD1 4.05Å; K70-I82 HydrophobicContact CB-CG1 4.46Å; K70-I82 HydrophobicContact CB-CG2 4.28Å; K70-T114 WeakPolarHBondContact CB-OG1 3.48Å; K70-T114 WeakPolarHBondContact O-CG2 3.4Å; K70-T114 PolarHBondContact O-OG1 3.24Å; K70-E115 PolarHBondContact N-O 2.84Å |
| 71 | P | 85.3 | Confident | 81.9 | Confident | 19 Ų | 19 | 62.3 Ų | 62.3 | 12% | 0.123 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 151 | -179.3 | -20.3 | 29 | 0 | 0 | 0 | 112.1 | S52 N53 L75 H80 | S52-P71 WeakPolarHBondContact O-CG 3.42Å; N53-P71 WeakPolarHBondContact OD1-CD 3.46Å; P71-L75 HydrophobicContact CB-CD1 4.49Å; P71-L75 HydrophobicContact CB-CD2 4.14Å; P71-H80 HydrophobicContact CG-CB 4.48Å |
| 72 | P | 77.2 | Confident | 81.9 | Confident | 65 Ų | 65 | 60.6 Ų | 60.6 | 42% | 0.422 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -69.6 | 158.8 | 174.1 | 33.3 | -37.4 | 0 | 0 | 0 | 111.5 | Q15 | Q15-P72 WeakPolarHBondContact O-CG 3.41Š|
| 73 | G | 73.9 | Confident | 82 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 71% | 0.711 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 95.5 | -176.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L75 | G73-L75 PolarHBondContact O-N 2.93Š|
| 74 | S | 66.8 | Low | 82.1 | Confident | 133 Ų | 133 | 56.9 Ų | 56.9 | 93% | 0.93 | 33% | 0.326 | S | S | * | . | trans | -78.5 | 100.9 | 179.9 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 75 | L | 68.9 | Low | 82.1 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 27% | 0.267 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 152 | -178 | -53.4 | -179.7 | 0 | 0 | 0 | 112.1 | K70 P71 G73 H80 | K70-L75 HydrophobicContact CD-CD1 4.14Å; K70-L75 VanDerWaalsContact CE-CD1 3.43Å; K70-L75 HydrophobicContact CG-CD1 3.62Å; P71-L75 HydrophobicContact CB-CD1 4.49Å; P71-L75 HydrophobicContact CB-CD2 4.14Å; G73-L75 PolarHBondContact O-N 2.93Å; L75-H80 HydrophobicContact CD1-CB 3.95Å |
| 76 | L | 63.2 | Low | 82 | Confident | 141 Ų | 141 | 56.2 Ų | 56.2 | 74% | 0.738 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 143.6 | 174.2 | -70.8 | 172.5 | 0 | 0 | 0 | 111.1 | K78 A79 | L76-K78 PolarHBondContact O-N 2.96Å; L76-A79 HydrophobicContact CB-CB 4.26Å; L76-A79 WeakPolarHBondContact O-CB 3.19Å; L76-A79 PolarHBondContact O-N 3.28Å; L76-A79 VanDerWaalsContact O-N 3.1Å |
| 77 | P | 57.9 | Low | 81.9 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 79% | 0.786 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 131 | 175.8 | -25 | 33.4 | 0 | 0 | 0 | 111.7 | A79 | P77-A79 VanDerWaalsContact C-N 3.28Å; P77-A79 PolarHBondContact O-N 2.87Å |
| 78 | K | 66.8 | Low | 81.9 | Confident | 178 Ų | 178 | 61.1 Ų | 61.1 | 77% | 0.774 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 2.3 | -178.6 | -52.1 | 176.8 | 179.1 | 177 | 0 | 116.6 | L76 | L76-K78 PolarHBondContact O-N 2.96Š|
| 79 | A | 66.4 | Low | 81.9 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | trans | -79 | 156.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L76 P77 K81 | L76-A79 HydrophobicContact CB-CB 4.26Å; L76-A79 WeakPolarHBondContact O-CB 3.19Å; L76-A79 PolarHBondContact O-N 3.28Å; L76-A79 VanDerWaalsContact O-N 3.1Å; P77-A79 VanDerWaalsContact C-N 3.28Å; P77-A79 PolarHBondContact O-N 2.87Å; A79-K81 PolarHBondContact O-N 3.43Å | ||
| 80 | H | 78 | Confident | 82.1 | Confident | 54 Ų | 54 | 66.4 Ų | 66.4 | 25% | 0.25 | 36% | 0.362 | C | S | . | . | trans | 56.2 | 48.4 | 170.1 | -52 | -72.9 | 0 | 0 | 0 | 114.8 | S52 N53 K70 P71 L75 I82 | S52-H80 PolarHBondContact O-CE1 2.85Å; S52-H80 PolarHBondContact O-ND1 3.36Å; N53-H80 VanDerWaalsContact OD1-CB 3.32Å; N53-H80 WeakPolarHBondContact OD1-CB 3.36Å; N53-H80 PolarHBondContact OD1-ND1 3.03Å; K70-H80 HydrophobicContact CG-CB 4.19Å; P71-H80 HydrophobicContact CG-CB 4.48Å; L75-H80 HydrophobicContact CD1-CB 3.95Å; H80-I82 VanDerWaalsContact C-N 3.3Å; H80-I82 PolarHBondContact O-N 2.96Å | ||
| 81 | K | 85.1 | Confident | 82.5 | Confident | 95 Ų | 95 | 63.9 Ų | 63.9 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | trans | -82.2 | 70.5 | 178.1 | -66.6 | -170.4 | 179.4 | -172.4 | 0 | 111.7 | A79 D83 R84 E85 | A79-K81 PolarHBondContact O-N 3.43Å; K81-D83 PolarHBondContact O-N 2.85Å; K81-D83 VanDerWaalsContact O-N 3.17Å; K81-R84 HydrophobicContact CB-CB 3.95Å; K81-R84 VanDerWaalsContact O-CB 3.24Å; K81-R84 WeakPolarHBondContact O-CB 3.32Å; K81-R84 PolarHBondContact O-N 3.33Å; K81-E85 PolarHBondContact O-N 3.32Å | ||
| 82 | I | 90.1 | Very high | 83 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.1 | -23.9 | -179.5 | 68.7 | 168.9 | 0 | 0 | 0 | 112.9 | N53 K70 H80 R84 E85 F86 Y105 E115 Y117 | N53-I82 HydrophobicContact CB-CG2 4.37Å; K70-I82 HydrophobicContact CB-CD1 4.05Å; K70-I82 HydrophobicContact CB-CG1 4.46Å; K70-I82 HydrophobicContact CB-CG2 4.28Å; H80-I82 VanDerWaalsContact C-N 3.3Å; H80-I82 PolarHBondContact O-N 2.96Å; I82-R84 VanDerWaalsContact C-N 3.27Å; I82-R84 PolarHBondContact O-N 3.37Å; I82-E85 PolarHBondContact O-N 3.1Å; I82-F86 PolarHBondContact O-N 2.76Å; I82-Y105 HydrophobicContact CD1-CE2 4.48Å; I82-Y105 HydrophobicContact CG1-CE2 4.34Å; I82-E115 HydrophobicContact CD1-CB 3.69Å; I82-E115 WeakPolarHBondContact CD1-O 3.15Å; I82-E115 HydrophobicContact CG1-CB 4.33Å; I82-Y117 HydrophobicContact CB-CD1 4.19Å; I82-Y117 HydrophobicContact CB-CE1 4.31Å |
| 83 | D | 91.1 | Very high | 84 | Confident | 41 Ų | 41 | 64.2 Ų | 64.2 | 22% | 0.219 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 174.6 | 78.8 | -63.5 | 0 | 0 | 0 | 111.4 | K81 K87 Y105 | K81-D83 PolarHBondContact O-N 2.85Å; K81-D83 VanDerWaalsContact O-N 3.17Å; D83-K87 WeakPolarHBondContact O-CB 3.27Å; D83-K87 WeakPolarHBondContact O-CD 3.37Å; D83-K87 WeakPolarHBondContact O-CG 3.5Å; D83-K87 PolarHBondContact O-N 3.07Å; D83-K87 IonicContact OD2-NZ 3.96Å; D83-K87 PolarHBondContact OD2-NZ 2.81Å; D83-Y105 HydrophobicContact CB-CE1 4.22Å; D83-Y105 HydrophobicContact CB-CE2 4.06Å; D83-Y105 WeakPolarHBondContact CB-OH 3.43Å |
| 84 | R | 92.1 | Very high | 85 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 22% | 0.219 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.8 | -43.8 | 177.5 | -170.8 | 179.9 | 179.7 | -138.9 | 4.8 | 110.5 | K81 I82 K87 I88 Y167 S244 T245 | K81-R84 HydrophobicContact CB-CB 3.95Å; K81-R84 VanDerWaalsContact O-CB 3.24Å; K81-R84 WeakPolarHBondContact O-CB 3.32Å; K81-R84 PolarHBondContact O-N 3.33Å; I82-R84 VanDerWaalsContact C-N 3.27Å; I82-R84 PolarHBondContact O-N 3.37Å; R84-K87 PolarHBondContact O-N 3.39Å; R84-I88 WeakPolarHBondContact O-CG2 3.23Å; R84-I88 PolarHBondContact O-N 3.49Å; R84-Y167 HydrophobicContact CG-CD2 3.93Å; R84-Y167 HydrophobicContact CG-CE2 3.22Å; R84-Y167 PolarHBondContact NH2-O 3.11Å; R84-S244 PolarHBondContact NH1-O 3.39Å; R84-S244 PolarHBondContact NH2-O 3.44Å; R84-T245 PolarHBondContact NH2-OG1 3.42Å |
| 85 | E | 93.7 | Very high | 86.4 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 2% | 0.023 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 174.5 | -68.6 | 171.6 | -127.6 | 0 | 0 | 112.2 | N53 R68 K81 I82 I88 Q89 Y117 E242 | N53-E85 PolarHBondContact ND2-OE1 2.69Å; R68-E85 IonicContact CZ-OE2 2.98Å; R68-E85 IonicContact NE-OE2 3.72Å; R68-E85 IonicContact NH1-OE2 3.81Å; R68-E85 PolarHBondContact NH1-OE2 2.91Å; K81-E85 PolarHBondContact O-N 3.32Å; I82-E85 PolarHBondContact O-N 3.1Å; E85-I88 WeakPolarHBondContact O-CG2 3.32Å; E85-Q89 WeakPolarHBondContact O-CB 3.31Å; E85-Q89 WeakPolarHBondContact O-CG 3.23Å; E85-Q89 PolarHBondContact O-N 2.99Å; E85-Q89 VanDerWaalsContact O-N 3.15Å; E85-Q89 PolarHBondContact O-NE2 3.25Å; E85-Y117 HydrophobicContact CB-CE1 4.19Å; E85-E242 HydrophobicContact CG-CB 4.38Å |
| 86 | F | 95.4 | Very high | 87.7 | Confident | 22 Ų | 22 | 62.6 Ų | 62.6 | 10% | 0.096 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 176.4 | -179.7 | -97.3 | 0 | 0 | 0 | 111.8 | I82 Q89 K90 P102 L104 Y105 Y117 | I82-F86 PolarHBondContact O-N 2.76Å; F86-Q89 PolarHBondContact O-N 3.46Å; F86-K90 HydrophobicContact CE1-CD 4.07Å; F86-K90 HydrophobicContact CZ-CD 4.45Å; F86-K90 VanDerWaalsContact O-CB 3.31Å; F86-K90 WeakPolarHBondContact O-CB 3.45Å; F86-K90 PolarHBondContact O-N 2.93Å; F86-P102 HydrophobicContact CD2-CB 3.81Å; F86-P102 HydrophobicContact CE2-CB 3.52Å; F86-P102 HydrophobicContact CZ-CB 4.18Å; F86-L104 WeakPolarHBondContact CE2-O 3.37Å; F86-Y105 HydrophobicContact CD1-CG 4.14Å; F86-Y105 HydrophobicContact CG-CG 4.3Å; F86-Y117 HydrophobicContact CB-CD1 4.24Å; F86-Y117 HydrophobicContact CB-CG 4.15Å; F86-Y117 AromaticContact CD2-CD2 3.93Å; F86-Y117 HydrophobicContact CD2-CD2 3.93Å; F86-Y117 AromaticContact CD2-CG 3.91Å; F86-Y117 HydrophobicContact CD2-CG 3.91Å; F86-Y117 HydrophobicContact CG-CG 4.47Å |
| 87 | K | 95 | Very high | 89.4 | Confident | 112 Ų | 112 | 56 Ų | 56 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 179.2 | -76.7 | 165.5 | -175.3 | 161.4 | 0 | 112.3 | D83 R84 K90 A91 L164 | D83-K87 WeakPolarHBondContact O-CB 3.27Å; D83-K87 WeakPolarHBondContact O-CD 3.37Å; D83-K87 WeakPolarHBondContact O-CG 3.5Å; D83-K87 PolarHBondContact O-N 3.07Å; D83-K87 IonicContact OD2-NZ 3.96Å; D83-K87 PolarHBondContact OD2-NZ 2.81Å; R84-K87 PolarHBondContact O-N 3.39Å; K87-K90 PolarHBondContact O-N 3.13Å; K87-A91 PolarHBondContact O-N 3.26Å; K87-L164 HydrophobicContact CB-CD2 4.48Å |
| 88 | I | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 180 | -178.9 | 56.3 | 0 | 0 | 0 | 111.6 | R84 E85 K90 A91 L92 L164 Y167 L216 W241 | R84-I88 WeakPolarHBondContact O-CG2 3.23Å; R84-I88 PolarHBondContact O-N 3.49Å; E85-I88 WeakPolarHBondContact O-CG2 3.32Å; I88-K90 PolarHBondContact O-N 2.9Å; I88-A91 PolarHBondContact O-N 2.88Å; I88-L92 HydrophobicContact CD1-CD1 3.92Å; I88-L92 HydrophobicContact CD1-CD2 4.42Å; I88-L92 HydrophobicContact CD1-CG 3.86Å; I88-L92 HydrophobicContact CG1-CD1 3.79Å; I88-L92 HydrophobicContact CG1-CG 4.21Å; I88-L92 WeakPolarHBondContact O-CB 3.22Å; I88-L92 WeakPolarHBondContact O-CG 3.34Å; I88-L92 PolarHBondContact O-N 3.22Å; I88-L164 HydrophobicContact CD1-CD1 3.37Å; I88-Y167 HydrophobicContact CB-CE2 4.12Å; I88-Y167 WeakPolarHBondContact CB-OH 3.36Å; I88-Y167 WeakPolarHBondContact CG2-OH 3.49Å; I88-L216 HydrophobicContact CD1-CD1 3.81Å; I88-L216 HydrophobicContact CD1-CD2 3.56Å; I88-L216 HydrophobicContact CD1-CG 4.34Å; I88-L216 HydrophobicContact CG1-CD1 4.38Å; I88-L216 HydrophobicContact CG1-CD2 4.43Å; I88-W241 HydrophobicContact CG1-CD2 4.4Å; I88-W241 HydrophobicContact CG1-CE3 3.76Å; I88-W241 HydrophobicContact CG1-CZ3 4.17Å; I88-W241 HydrophobicContact CG2-CB 3.78Å; I88-W241 HydrophobicContact CG2-CD2 4.37Å; I88-W241 HydrophobicContact CG2-CE3 4.29Å; I88-W241 HydrophobicContact CG2-CG 4.16Å |
| 89 | Q | 96.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60 | -37.9 | 176.5 | -74.7 | 172.2 | 96.3 | 0 | 0 | 111.2 | E85 F86 L92 F93 V99 P102 Y117 W241 | E85-Q89 WeakPolarHBondContact O-CB 3.31Å; E85-Q89 WeakPolarHBondContact O-CG 3.23Å; E85-Q89 PolarHBondContact O-N 2.99Å; E85-Q89 VanDerWaalsContact O-N 3.15Å; E85-Q89 PolarHBondContact O-NE2 3.25Å; F86-Q89 PolarHBondContact O-N 3.46Å; Q89-L92 PolarHBondContact O-N 3.37Å; Q89-F93 VanDerWaalsContact O-CB 3.26Å; Q89-F93 WeakPolarHBondContact O-CB 3.34Å; Q89-F93 PolarHBondContact O-N 3.4Å; Q89-V99 WeakPolarHBondContact O-CG2 3.43Å; Q89-P102 HydrophobicContact CB-CG 4.31Å; Q89-Y117 PolarHBondContact NE2-OH 3.19Å; Q89-W241 HydrophobicContact CG-CG 4.07Å |
| 90 | K | 96.4 | Very high | 94.2 | Very high | 127 Ų | 127 | 41.4 Ų | 41.4 | 55% | 0.552 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -66.2 | -41.8 | 177.7 | -171.8 | 173.8 | -179.7 | 175.6 | 0 | 112.2 | F86 K87 I88 S94 P102 | F86-K90 HydrophobicContact CE1-CD 4.07Å; F86-K90 HydrophobicContact CZ-CD 4.45Å; F86-K90 VanDerWaalsContact O-CB 3.31Å; F86-K90 WeakPolarHBondContact O-CB 3.45Å; F86-K90 PolarHBondContact O-N 2.93Å; K87-K90 PolarHBondContact O-N 3.13Å; I88-K90 PolarHBondContact O-N 2.9Å; K90-S94 WeakPolarHBondContact O-CB 3.41Å; K90-S94 PolarHBondContact O-N 3.47Å; K90-S94 VanDerWaalsContact O-N 3.16Å; K90-P102 VanDerWaalsContact CA-CG 3.42Å; K90-P102 HydrophobicContact CB-CB 4.49Å; K90-P102 HydrophobicContact CB-CG 3.78Å; K90-P102 HydrophobicContact CG-CG 4.28Å |
| 91 | A | 96.4 | Very high | 95.1 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K87 I88 S94 L162 L164 | K87-A91 PolarHBondContact O-N 3.26Å; I88-A91 PolarHBondContact O-N 2.88Å; A91-S94 PolarHBondContact O-N 2.96Å; A91-S94 PolarHBondContact O-OG 3.14Å; A91-L162 HydrophobicContact CB-CB 4.41Å; A91-L162 HydrophobicContact CB-CD2 4.4Å; A91-L164 HydrophobicContact CB-CD1 4.41Å; A91-L164 HydrophobicContact CB-CD2 4.15Å; A91-L164 HydrophobicContact CB-CG 4.34Å |
| 92 | L | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 179.4 | -70.6 | 175 | 0 | 0 | 0 | 112.7 | I88 Q89 S94 I95 G96 F97 V99 L154 L157 L216 W241 | I88-L92 HydrophobicContact CD1-CD1 3.92Å; I88-L92 HydrophobicContact CD1-CD2 4.42Å; I88-L92 HydrophobicContact CD1-CG 3.86Å; I88-L92 HydrophobicContact CG1-CD1 3.79Å; I88-L92 HydrophobicContact CG1-CG 4.21Å; I88-L92 WeakPolarHBondContact O-CB 3.22Å; I88-L92 WeakPolarHBondContact O-CG 3.34Å; I88-L92 PolarHBondContact O-N 3.22Å; Q89-L92 PolarHBondContact O-N 3.37Å; L92-S94 VanDerWaalsContact C-N 3.26Å; L92-S94 PolarHBondContact O-N 3.16Å; L92-I95 WeakPolarHBondContact O-CG1 3.37Å; L92-I95 PolarHBondContact O-N 3.28Å; L92-G96 PolarHBondContact O-N 3.48Å; L92-F97 HydrophobicContact CB-CB 4.1Å; L92-F97 HydrophobicContact CB-CD1 4.14Å; L92-F97 HydrophobicContact CB-CG 4.47Å; L92-F97 HydrophobicContact CD1-CD1 4.12Å; L92-F97 HydrophobicContact CD1-CE1 4.5Å; L92-F97 HydrophobicContact CD2-CB 4.12Å; L92-F97 HydrophobicContact CD2-CD1 4.05Å; L92-F97 HydrophobicContact CD2-CG 4.04Å; L92-F97 HydrophobicContact CG-CD1 4.34Å; L92-F97 WeakPolarHBondContact O-CB 3.44Å; L92-F97 PolarHBondContact O-N 3.1Å; L92-V99 HydrophobicContact CB-CG1 4.1Å; L92-V99 HydrophobicContact CB-CG2 4.07Å; L92-V99 HydrophobicContact CD1-CG1 3.95Å; L92-L154 HydrophobicContact CD2-CD1 4.27Å; L92-L157 HydrophobicContact CD2-CD1 3.46Å; L92-L157 VanDerWaalsContact CD2-CD1 3.46Å; L92-L216 HydrophobicContact CD1-CD2 4.4Å; L92-L216 HydrophobicContact CD2-CD2 3.81Å; L92-L216 HydrophobicContact CG-CD2 4.44Å; L92-W241 HydrophobicContact CD1-CD2 4.13Å; L92-W241 HydrophobicContact CD1-CE3 3.95Å; L92-W241 HydrophobicContact CD1-CH2 3.18Å; L92-W241 HydrophobicContact CD1-CZ2 3.33Å; L92-W241 HydrophobicContact CD1-CZ3 3.5Å |
| 93 | F | 97.1 | Very high | 96 | Very high | 91 Ų | 91 | 40.8 Ų | 40.8 | 40% | 0.399 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.6 | -39.2 | 176.6 | -175.3 | -95.5 | 0 | 0 | 0 | 111.6 | Q89 I95 G96 V99 K101 P102 | Q89-F93 VanDerWaalsContact O-CB 3.26Å; Q89-F93 WeakPolarHBondContact O-CB 3.34Å; Q89-F93 PolarHBondContact O-N 3.4Å; F93-I95 PolarHBondContact O-N 3.18Å; F93-G96 PolarHBondContact O-N 3.47Å; F93-V99 HydrophobicContact CB-CG2 3.79Å; F93-V99 HydrophobicContact CD2-CG2 4.45Å; F93-K101 HydrophobicContact CD1-CG 4.13Å; F93-K101 HydrophobicContact CD2-CB 3.91Å; F93-K101 HydrophobicContact CD2-CG 4.09Å; F93-K101 HydrophobicContact CE1-CD 4.24Å; F93-K101 HydrophobicContact CE1-CG 3.74Å; F93-K101 HydrophobicContact CE2-CB 3.56Å; F93-K101 HydrophobicContact CE2-CD 4.28Å; F93-K101 HydrophobicContact CE2-CG 3.68Å; F93-K101 HydrophobicContact CG-CG 4.31Å; F93-K101 HydrophobicContact CZ-CB 3.93Å; F93-K101 HydrophobicContact CZ-CD 3.81Å; F93-K101 HydrophobicContact CZ-CG 3.5Å; F93-K101 VanDerWaalsContact CZ-CG 3.5Å; F93-P102 HydrophobicContact CB-CG 4.45Å |
| 94 | S | 95.9 | Very high | 96.3 | Very high | 93 Ų | 93 | 40 Ų | 40 | 65% | 0.65 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -64.7 | -20.7 | -178.4 | 75.5 | 0 | 0 | 0 | 0 | 114.6 | K90 A91 L92 | K90-S94 WeakPolarHBondContact O-CB 3.41Å; K90-S94 PolarHBondContact O-N 3.47Å; K90-S94 VanDerWaalsContact O-N 3.16Å; A91-S94 PolarHBondContact O-N 2.96Å; A91-S94 PolarHBondContact O-OG 3.14Å; L92-S94 VanDerWaalsContact C-N 3.26Å; L92-S94 PolarHBondContact O-N 3.16Å |
| 95 | I | 95.8 | Very high | 96.5 | Very high | 70 Ų | 70 | 40 Ų | 40 | 36% | 0.359 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 9.1 | 176.9 | 64.1 | 160.5 | 0 | 0 | 0 | 112.6 | L92 F93 F97 L157 L162 | L92-I95 WeakPolarHBondContact O-CG1 3.37Å; L92-I95 PolarHBondContact O-N 3.28Å; F93-I95 PolarHBondContact O-N 3.18Å; I95-F97 VanDerWaalsContact C-N 3.32Å; I95-F97 HydrophobicContact CD1-CB 4.37Å; I95-F97 HydrophobicContact CG1-CB 4.22Å; I95-F97 PolarHBondContact O-N 3.23Å; I95-L157 HydrophobicContact CD1-CD1 3.85Å; I95-L157 HydrophobicContact CD1-CD2 3.51Å; I95-L157 HydrophobicContact CD1-CG 4.27Å; I95-L162 HydrophobicContact CD1-CD2 3.82Å; I95-L162 HydrophobicContact CG1-CD2 4.48Å |
| 96 | G | 96.3 | Very high | 96.7 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 57% | 0.567 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 9.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L92 F93 W153 | L92-G96 PolarHBondContact O-N 3.48Å; F93-G96 PolarHBondContact O-N 3.47Å; G96-W153 VanDerWaalsContact O-CH2 3.27Å; G96-W153 WeakPolarHBondContact O-CH2 3.39Å |
| 97 | F | 97.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | trans | -68.5 | 137.2 | 174.3 | -174.1 | -85.5 | 0 | 0 | 0 | 110 | L92 I95 V99 T150 W153 L154 L157 V238 W241 | L92-F97 HydrophobicContact CB-CB 4.1Å; L92-F97 HydrophobicContact CB-CD1 4.14Å; L92-F97 HydrophobicContact CB-CG 4.47Å; L92-F97 HydrophobicContact CD1-CD1 4.12Å; L92-F97 HydrophobicContact CD1-CE1 4.5Å; L92-F97 HydrophobicContact CD2-CB 4.12Å; L92-F97 HydrophobicContact CD2-CD1 4.05Å; L92-F97 HydrophobicContact CD2-CG 4.04Å; L92-F97 HydrophobicContact CG-CD1 4.34Å; L92-F97 WeakPolarHBondContact O-CB 3.44Å; L92-F97 PolarHBondContact O-N 3.1Å; I95-F97 VanDerWaalsContact C-N 3.32Å; I95-F97 HydrophobicContact CD1-CB 4.37Å; I95-F97 HydrophobicContact CG1-CB 4.22Å; I95-F97 PolarHBondContact O-N 3.23Å; F97-V99 HydrophobicContact CD1-CG1 4.01Å; F97-V99 HydrophobicContact CE1-CG1 4.34Å; F97-V99 PolarHBondContact O-N 3.48Å; F97-T150 HydrophobicContact CE2-CG2 4.32Å; F97-T150 HydrophobicContact CZ-CG2 3.88Å; F97-W153 HydrophobicContact CB-CZ2 4.31Å; F97-W153 AromaticContact CD2-CD2 3.66Å; F97-W153 HydrophobicContact CD2-CD2 3.66Å; F97-W153 AromaticContact CD2-CE2 3.85Å; F97-W153 AromaticContact CD2-CE3 3.89Å; F97-W153 HydrophobicContact CD2-CE3 3.89Å; F97-W153 HydrophobicContact CD2-CG 4.06Å; F97-W153 HydrophobicContact CD2-CH2 4.5Å; F97-W153 HydrophobicContact CD2-CZ2 4.26Å; F97-W153 HydrophobicContact CD2-CZ3 4.32Å; F97-W153 HydrophobicContact CE2-CB 4.33Å; F97-W153 HydrophobicContact CE2-CD2 4.01Å; F97-W153 HydrophobicContact CE2-CE3 4.11Å; F97-W153 HydrophobicContact CE2-CG 4.13Å; F97-L154 HydrophobicContact CE1-CD1 4.3Å; F97-L154 HydrophobicContact CE2-CB 3.79Å; F97-L154 HydrophobicContact CE2-CD1 4.18Å; F97-L154 HydrophobicContact CZ-CB 3.82Å; F97-L154 HydrophobicContact CZ-CD1 3.94Å; F97-L154 HydrophobicContact CZ-CG 4.36Å; F97-L157 HydrophobicContact CD2-CD1 4.35Å; F97-V238 HydrophobicContact CE1-CB 4.4Å; F97-V238 HydrophobicContact CE1-CG2 4.05Å; F97-V238 HydrophobicContact CZ-CG2 4.28Å; F97-W241 HydrophobicContact CE1-CH2 4.1Å; F97-W241 AromaticContact CE1-CZ2 3.94Å; F97-W241 HydrophobicContact CE1-CZ2 3.94Å | ||
| 98 | P | 97.9 | Very high | 96.7 | Very high | 19 Ų | 19 | 46.4 Ų | 46.4 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -70 | 100.1 | -171.9 | 27.7 | -36.2 | 0 | 0 | 0 | 111.6 | T150 W153 V235 A237 V238 | P98-T150 HydrophobicContact CG-CG2 4.2Å; P98-W153 HydrophobicContact CG-CZ3 4.25Å; P98-V235 HydrophobicContact CB-CG1 4.24Å; P98-V235 HydrophobicContact CG-CG1 4.09Å; P98-A237 CarbonylContact O-C 3.44Å; P98-A237 WeakPolarHBondContact O-CA 3.31Å; P98-V238 PolarHBondContact O-N 3.08Å |
| 99 | V | 98.1 | Very high | 96.6 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | trans | -136.2 | 159.4 | 169.5 | -69.2 | 0 | 0 | 0 | 0 | 109.2 | Q89 L92 F93 F97 K101 W241 | Q89-V99 WeakPolarHBondContact O-CG2 3.43Å; L92-V99 HydrophobicContact CB-CG1 4.1Å; L92-V99 HydrophobicContact CB-CG2 4.07Å; L92-V99 HydrophobicContact CD1-CG1 3.95Å; F93-V99 HydrophobicContact CB-CG2 3.79Å; F93-V99 HydrophobicContact CD2-CG2 4.45Å; F97-V99 HydrophobicContact CD1-CG1 4.01Å; F97-V99 HydrophobicContact CE1-CG1 4.34Å; F97-V99 PolarHBondContact O-N 3.48Å; V99-K101 PolarHBondContact O-N 3.22Å; V99-W241 HydrophobicContact CG1-CZ2 3.75Å | ||
| 100 | A | 96 | Very high | 96.5 | Very high | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 129.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | P102 M119 V122 | A100-P102 VanDerWaalsContact O-CD 3.24Å; A100-P102 WeakPolarHBondContact O-CD 3.2Å; A100-P102 VanDerWaalsContact O-N 3.13Å; A100-M119 HydrophobicContact CB-CB 4.28Å; A100-M119 HydrophobicContact CB-CE 4.5Å; A100-M119 HydrophobicContact CB-CG 4.1Å; A100-M119 HydrophobicContact CB-SD 3.65Å; A100-V122 HydrophobicContact CB-CG2 3.77Å |
| 101 | K | 96.9 | Very high | 96.4 | Very high | 73 Ų | 73 | 47.8 Ų | 47.8 | 32% | 0.317 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 118.3 | -176.9 | -178.5 | -169.6 | -175.6 | -178.4 | 0 | 109.7 | F93 V99 L103 M119 E120 | F93-K101 HydrophobicContact CD1-CG 4.13Å; F93-K101 HydrophobicContact CD2-CB 3.91Å; F93-K101 HydrophobicContact CD2-CG 4.09Å; F93-K101 HydrophobicContact CE1-CD 4.24Å; F93-K101 HydrophobicContact CE1-CG 3.74Å; F93-K101 HydrophobicContact CE2-CB 3.56Å; F93-K101 HydrophobicContact CE2-CD 4.28Å; F93-K101 HydrophobicContact CE2-CG 3.68Å; F93-K101 HydrophobicContact CG-CG 4.31Å; F93-K101 HydrophobicContact CZ-CB 3.93Å; F93-K101 HydrophobicContact CZ-CD 3.81Å; F93-K101 HydrophobicContact CZ-CG 3.5Å; F93-K101 VanDerWaalsContact CZ-CG 3.5Å; V99-K101 PolarHBondContact O-N 3.22Å; K101-L103 HydrophobicContact CD-CD2 3.94Å; K101-L103 HydrophobicContact CG-CD2 4.3Å; K101-L103 PolarHBondContact O-N 3.11Å; K101-M119 CarbonylContact O-C 3.51Å; K101-M119 WeakPolarHBondContact O-CA 3.3Å; K101-M119 VanDerWaalsContact O-CB 3.27Å; K101-M119 WeakPolarHBondContact O-CB 3.27Å; K101-E120 HydrophobicContact CB-CB 4.16Å; K101-E120 HydrophobicContact CB-CG 3.97Å; K101-E120 WeakPolarHBondContact CB-OE2 3.22Å; K101-E120 HydrophobicContact CD-CG 4.02Å; K101-E120 WeakPolarHBondContact CD-OE1 3.46Å; K101-E120 WeakPolarHBondContact CD-OE2 3.31Å; K101-E120 IonicContact NZ-OE1 2.81Å; K101-E120 PolarHBondContact NZ-OE1 3.33Å; K101-E120 PolarHBondContact O-N 2.88Å |
| 102 | P | 96.7 | Very high | 96.4 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 10% | 0.104 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 127.3 | 175.7 | 27 | -27.4 | 0 | 0 | 0 | 109.3 | F86 Q89 K90 F93 A100 | F86-P102 HydrophobicContact CD2-CB 3.81Å; F86-P102 HydrophobicContact CE2-CB 3.52Å; F86-P102 HydrophobicContact CZ-CB 4.18Å; Q89-P102 HydrophobicContact CB-CG 4.31Å; K90-P102 VanDerWaalsContact CA-CG 3.42Å; K90-P102 HydrophobicContact CB-CB 4.49Å; K90-P102 HydrophobicContact CB-CG 3.78Å; K90-P102 HydrophobicContact CG-CG 4.28Å; F93-P102 HydrophobicContact CB-CG 4.45Å; A100-P102 VanDerWaalsContact O-CD 3.24Å; A100-P102 WeakPolarHBondContact O-CD 3.2Å; A100-P102 VanDerWaalsContact O-N 3.13Å |
| 103 | L | 97.3 | Very high | 96.1 | Very high | 47 Ų | 47 | 51 Ų | 51 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -49.4 | -173.6 | -66.4 | 173.9 | 0 | 0 | 0 | 112.1 | L31 Y65 K101 V118 E120 | L31-L103 HydrophobicContact CD1-CB 3.7Å; L31-L103 HydrophobicContact CD1-CD1 4.2Å; L31-L103 HydrophobicContact CD1-CG 4.38Å; Y65-L103 HydrophobicContact CD1-CD1 3.54Å; Y65-L103 HydrophobicContact CE1-CD1 3.9Å; K101-L103 HydrophobicContact CD-CD2 3.94Å; K101-L103 HydrophobicContact CG-CD2 4.3Å; K101-L103 PolarHBondContact O-N 3.11Å; L103-V118 WeakPolarHBondContact CB-O 3.44Å; L103-V118 HydrophobicContact CD1-CG1 4.36Å; L103-V118 PolarHBondContact N-O 3.21Å; L103-E120 HydrophobicContact CD1-CG 3.83Å; L103-E120 HydrophobicContact CD2-CG 3.93Å; L103-E120 HydrophobicContact CG-CG 4.06Å |
| 104 | L | 97.3 | Very high | 95.9 | Very high | 25 Ų | 25 | 47.2 Ų | 47.2 | 13% | 0.131 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 141.2 | -171.8 | -176.5 | 67.5 | 0 | 0 | 0 | 110.6 | Y26 L27 H30 L31 F86 Y117 V118 | Y26-L104 HydrophobicContact CD1-CD2 4.2Å; Y26-L104 HydrophobicContact CE1-CD2 3.74Å; Y26-L104 HydrophobicContact CE1-CG 4.48Å; L27-L104 HydrophobicContact CD2-CD2 3.73Å; H30-L104 HydrophobicContact CB-CD1 4.1Å; H30-L104 HydrophobicContact CB-CD2 4.07Å; L31-L104 HydrophobicContact CB-CD2 4.47Å; F86-L104 WeakPolarHBondContact CE2-O 3.37Å; L104-Y117 CarbonylContact O-C 3.59Å; L104-Y117 WeakPolarHBondContact O-CA 3.47Å; L104-Y117 VanDerWaalsContact O-CB 3.27Å; L104-Y117 WeakPolarHBondContact O-CB 3.39Å; L104-V118 HydrophobicContact CB-CB 4.43Å; L104-V118 PolarHBondContact N-O 2.86Å; L104-V118 VanDerWaalsContact N-O 3.14Å; L104-V118 PolarHBondContact O-N 3Å |
| 105 | Y | 97.6 | Very high | 95.8 | Very high | 58 Ų | 58 | 44.9 Ų | 44.9 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.3 | 168.4 | 168.5 | -114.6 | 0 | 0 | 0 | 109.5 | I82 D83 F86 R107 E115 F116 | I82-Y105 HydrophobicContact CD1-CE2 4.48Å; I82-Y105 HydrophobicContact CG1-CE2 4.34Å; D83-Y105 HydrophobicContact CB-CE1 4.22Å; D83-Y105 HydrophobicContact CB-CE2 4.06Å; D83-Y105 WeakPolarHBondContact CB-OH 3.43Å; F86-Y105 HydrophobicContact CD1-CG 4.14Å; F86-Y105 HydrophobicContact CG-CG 4.3Å; Y105-R107 HydrophobicContact CE1-CB 4Å; Y105-E115 PolarHBondContact OH-OE2 3.35Å; Y105-F116 WeakPolarHBondContact CD2-O 3.45Å |
| 106 | C | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 112.4 | 177.4 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | Y26 D108 E115 F116 | Y26-C106 HydrophobicContact CE1-CB 3.78Å; Y26-C106 VanDerWaalsContact CZ-SG 3.58Å; C106-D108 PolarHBondContact SG-O 3.24Å; C106-D108 VanDerWaalsContact SG-O 3.4Å; C106-E115 WeakPolarHBondContact O-CA 2.94Å; C106-F116 HydrophobicContact CB-CD1 3.73Å; C106-F116 HydrophobicContact CB-CD2 4.29Å; C106-F116 HydrophobicContact CB-CE1 3.34Å; C106-F116 HydrophobicContact CB-CE2 3.93Å; C106-F116 HydrophobicContact CB-CG 4.21Å; C106-F116 HydrophobicContact CB-CZ 3.45Å; C106-F116 VanDerWaalsContact CB-CZ 3.45Å; C106-F116 PolarHBondContact N-O 3.49Å; C106-F116 PolarHBondContact O-N 3.23Å; C106-F116 VanDerWaalsContact O-N 3.08Å; C106-F116 VanDerWaalsContact SG-CE1 3.54Å |
| 107 | R | 95.6 | Very high | 95.9 | Very high | 191 Ų | 191 | 39 Ų | 39 | 72% | 0.721 | 22% | 0.217 | S | C | * | . | trans | -84.1 | -19 | 172.5 | -170 | 175.9 | 178.8 | -166.6 | -1.9 | 112.7 | Y105 A109 | Y105-R107 HydrophobicContact CE1-CB 4Å; R107-A109 PolarHBondContact O-N 3.16Å; R107-A109 VanDerWaalsContact O-N 3.12Å | ||
| 108 | D | 94.8 | Very high | 95.9 | Very high | 83 Ų | 83 | 38.8 Ų | 38.8 | 44% | 0.444 | 22% | 0.217 | S | C | . | . | trans | -75.4 | 103.2 | -178.4 | -174.4 | -1.4 | 0 | 0 | 0 | 110.4 | C106 S110 V111 | C106-D108 PolarHBondContact SG-O 3.24Å; C106-D108 VanDerWaalsContact SG-O 3.4Å; D108-S110 PolarHBondContact O-N 3.26Å; D108-S110 VanDerWaalsContact OD1-CB 3.25Å; D108-S110 WeakPolarHBondContact OD1-CB 3.33Å; D108-S110 PolarHBondContact OD1-N 3.48Å; D108-S110 PolarHBondContact OD1-OG 2.75Å; D108-S110 PolarHBondContact OD2-OG 3.17Å; D108-V111 HydrophobicContact CB-CG2 4.11Å; D108-V111 PolarHBondContact O-N 3.48Å | ||
| 109 | A | 92.9 | Very high | 95.8 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R107 V111 G113 T114 | R107-A109 PolarHBondContact O-N 3.16Å; R107-A109 VanDerWaalsContact O-N 3.12Å; A109-V111 PolarHBondContact O-N 3.24Å; A109-G113 CarbonylContact O-C 3.53Å; A109-G113 WeakPolarHBondContact O-CA 3.28Å; A109-G113 PolarHBondContact O-N 3.41Å; A109-T114 PolarHBondContact O-N 3.16Å |
| 110 | S | 94.5 | Very high | 95.7 | Very high | 96 Ų | 96 | 42 Ų | 42 | 67% | 0.671 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -21 | 177.9 | 73.8 | 0 | 0 | 0 | 0 | 113.1 | D108 | D108-S110 PolarHBondContact O-N 3.26Å; D108-S110 VanDerWaalsContact OD1-CB 3.25Å; D108-S110 WeakPolarHBondContact OD1-CB 3.33Å; D108-S110 PolarHBondContact OD1-N 3.48Å; D108-S110 PolarHBondContact OD1-OG 2.75Å; D108-S110 PolarHBondContact OD2-OG 3.17Å |
| 111 | V | 95.8 | Very high | 95.7 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -48.6 | -177.1 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | S22 Y26 D108 A109 F116 | S22-V111 VanDerWaalsContact CB-O 3.22Å; S22-V111 WeakPolarHBondContact CB-O 3.28Å; Y26-V111 HydrophobicContact CD1-CG1 4.3Å; Y26-V111 HydrophobicContact CD2-CG1 3.98Å; Y26-V111 HydrophobicContact CD2-CG2 3.78Å; Y26-V111 HydrophobicContact CE2-CG2 3.98Å; Y26-V111 HydrophobicContact CG-CG1 3.7Å; Y26-V111 HydrophobicContact CG-CG2 4.32Å; D108-V111 HydrophobicContact CB-CG2 4.11Å; D108-V111 PolarHBondContact O-N 3.48Å; A109-V111 PolarHBondContact O-N 3.24Å; V111-F116 HydrophobicContact CB-CE1 4.22Å; V111-F116 HydrophobicContact CG1-CE1 4.14Å; V111-F116 HydrophobicContact CG1-CZ 4.33Å |
| 112 | I | 94.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.8 | 17.9 | -179.1 | 66.5 | 168.4 | 0 | 0 | 0 | 113.9 | F18 L23 K69 T114 F116 | F18-I112 HydrophobicContact CB-CB 4Å; F18-I112 HydrophobicContact CD2-CB 4.36Å; F18-I112 HydrophobicContact CD2-CG2 4.2Å; F18-I112 HydrophobicContact CG-CB 4.32Å; L23-I112 HydrophobicContact CB-CG2 3.78Å; L23-I112 HydrophobicContact CD1-CG2 4.05Å; L23-I112 HydrophobicContact CG-CG2 4.43Å; K69-I112 HydrophobicContact CB-CD1 4.46Å; K69-I112 HydrophobicContact CD-CD1 4.34Å; I112-T114 VanDerWaalsContact C-N 3.3Å; I112-T114 HydrophobicContact CD1-CG2 4.42Å; I112-T114 HydrophobicContact CG1-CG2 4.28Å; I112-T114 PolarHBondContact O-N 2.97Å; I112-F116 HydrophobicContact CD1-CB 3.86Å; I112-F116 HydrophobicContact CD1-CD1 3.25Å; I112-F116 HydrophobicContact CD1-CD2 4.4Å; I112-F116 HydrophobicContact CD1-CE1 3.8Å; I112-F116 HydrophobicContact CD1-CG 3.59Å; I112-F116 HydrophobicContact CG1-CD1 3.45Å; I112-F116 VanDerWaalsContact CG1-CD1 3.45Å; I112-F116 HydrophobicContact CG1-CE1 3.73Å; I112-F116 HydrophobicContact CG1-CG 4.3Å; I112-F116 HydrophobicContact CG2-CE1 4.34Å |
| 113 | G | 91.8 | Very high | 95.4 | Very high | 66 Ų | 66 | 47.5 Ų | 47.5 | 68% | 0.68 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 82.7 | -3.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A109 | A109-G113 CarbonylContact O-C 3.53Å; A109-G113 WeakPolarHBondContact O-CA 3.28Å; A109-G113 PolarHBondContact O-N 3.41Å |
| 114 | T | 92.8 | Very high | 95.3 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 8% | 0.08 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -159.6 | 163.6 | -178.6 | -169.8 | 0 | 0 | 0 | 0 | 110.9 | K69 K70 A109 I112 | K69-T114 HydrophobicContact CB-CG2 3.81Å; K69-T114 HydrophobicContact CD-CG2 3.84Å; K69-T114 HydrophobicContact CG-CG2 3.83Å; K70-T114 WeakPolarHBondContact CB-OG1 3.48Å; K70-T114 WeakPolarHBondContact O-CG2 3.4Å; K70-T114 PolarHBondContact O-OG1 3.24Å; A109-T114 PolarHBondContact O-N 3.16Å; I112-T114 VanDerWaalsContact C-N 3.3Å; I112-T114 HydrophobicContact CD1-CG2 4.42Å; I112-T114 HydrophobicContact CG1-CG2 4.28Å; I112-T114 PolarHBondContact O-N 2.97Å |
| 115 | E | 94.4 | Very high | 95.1 | Very high | 43 Ų | 43 | 45.5 Ų | 45.5 | 20% | 0.201 | 25% | 0.246 | C | C | . | . | trans | -66.1 | 147.7 | 169.5 | -59.7 | -179.3 | -150.4 | 0 | 0 | 110.3 | K69 K70 I82 Y105 C106 | K69-E115 WeakPolarHBondContact CA-O 3.3Å; K70-E115 PolarHBondContact N-O 2.84Å; I82-E115 HydrophobicContact CD1-CB 3.69Å; I82-E115 WeakPolarHBondContact CD1-O 3.15Å; I82-E115 HydrophobicContact CG1-CB 4.33Å; Y105-E115 PolarHBondContact OH-OE2 3.35Å; C106-E115 WeakPolarHBondContact O-CA 2.94Å | ||
| 116 | F | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 162.8 | 175 | 67.1 | -83.3 | 0 | 0 | 0 | 112.3 | L23 Y26 L27 L67 R68 K69 Y105 C106 V111 I112 V118 | L23-F116 HydrophobicContact CD1-CE2 3.78Å; L23-F116 HydrophobicContact CD1-CZ 3.75Å; Y26-F116 AromaticContact CD1-CZ 3.85Å; Y26-F116 HydrophobicContact CD1-CZ 3.85Å; Y26-F116 HydrophobicContact CE1-CZ 4Å; L27-F116 HydrophobicContact CD2-CE2 4.45Å; L67-F116 HydrophobicContact CD1-CD2 3.68Å; L67-F116 HydrophobicContact CD1-CE2 4.09Å; L67-F116 HydrophobicContact CD1-CG 4.3Å; L67-F116 HydrophobicContact CD2-CB 4.18Å; L67-F116 HydrophobicContact CG-CB 4.33Å; L67-F116 HydrophobicContact CG-CD2 4.01Å; L67-F116 HydrophobicContact CG-CG 4.49Å; R68-F116 CarbonylContact O-C 3.54Å; R68-F116 VanDerWaalsContact O-CA 3.29Å; R68-F116 WeakPolarHBondContact O-CA 3.44Å; R68-F116 WeakPolarHBondContact O-CB 3.37Å; K69-F116 HydrophobicContact CB-CB 3.78Å; Y105-F116 WeakPolarHBondContact CD2-O 3.45Å; C106-F116 HydrophobicContact CB-CD1 3.73Å; C106-F116 HydrophobicContact CB-CD2 4.29Å; C106-F116 HydrophobicContact CB-CE1 3.34Å; C106-F116 HydrophobicContact CB-CE2 3.93Å; C106-F116 HydrophobicContact CB-CG 4.21Å; C106-F116 HydrophobicContact CB-CZ 3.45Å; C106-F116 VanDerWaalsContact CB-CZ 3.45Å; C106-F116 PolarHBondContact N-O 3.49Å; C106-F116 PolarHBondContact O-N 3.23Å; C106-F116 VanDerWaalsContact O-N 3.08Å; C106-F116 VanDerWaalsContact SG-CE1 3.54Å; V111-F116 HydrophobicContact CB-CE1 4.22Å; V111-F116 HydrophobicContact CG1-CE1 4.14Å; V111-F116 HydrophobicContact CG1-CZ 4.33Å; I112-F116 HydrophobicContact CD1-CB 3.86Å; I112-F116 HydrophobicContact CD1-CD1 3.25Å; I112-F116 HydrophobicContact CD1-CD2 4.4Å; I112-F116 HydrophobicContact CD1-CE1 3.8Å; I112-F116 HydrophobicContact CD1-CG 3.59Å; I112-F116 HydrophobicContact CG1-CD1 3.45Å; I112-F116 VanDerWaalsContact CG1-CD1 3.45Å; I112-F116 HydrophobicContact CG1-CE1 3.73Å; I112-F116 HydrophobicContact CG1-CG 4.3Å; I112-F116 HydrophobicContact CG2-CE1 4.34Å; F116-V118 HydrophobicContact CD2-CG2 4.07Å; F116-V118 HydrophobicContact CE2-CG2 4.06Å |
| 117 | Y | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 157.5 | 164 | 73.8 | -95.1 | 0 | 0 | 0 | 110.9 | L67 R68 I82 E85 F86 Q89 L104 M119 | L67-Y117 WeakPolarHBondContact CA-O 3.35Å; R68-Y117 HydrophobicContact CB-CD1 4.17Å; R68-Y117 HydrophobicContact CB-CE1 3.62Å; R68-Y117 HydrophobicContact CB-CE2 4.19Å; R68-Y117 WeakPolarHBondContact CD-OH 3.25Å; R68-Y117 HydrophobicContact CG-CE1 4.18Å; R68-Y117 PolarHBondContact N-O 3.42Å; R68-Y117 PolarHBondContact O-N 2.85Å; I82-Y117 HydrophobicContact CB-CD1 4.19Å; I82-Y117 HydrophobicContact CB-CE1 4.31Å; E85-Y117 HydrophobicContact CB-CE1 4.19Å; F86-Y117 HydrophobicContact CB-CD1 4.24Å; F86-Y117 HydrophobicContact CB-CG 4.15Å; F86-Y117 AromaticContact CD2-CD2 3.93Å; F86-Y117 HydrophobicContact CD2-CD2 3.93Å; F86-Y117 AromaticContact CD2-CG 3.91Å; F86-Y117 HydrophobicContact CD2-CG 3.91Å; F86-Y117 HydrophobicContact CG-CG 4.47Å; Q89-Y117 PolarHBondContact NE2-OH 3.19Å; L104-Y117 CarbonylContact O-C 3.59Å; L104-Y117 WeakPolarHBondContact O-CA 3.47Å; L104-Y117 VanDerWaalsContact O-CB 3.27Å; L104-Y117 WeakPolarHBondContact O-CB 3.39Å; Y117-M119 HydrophobicContact CE2-CB 4.47Å; Y117-M119 HydrophobicContact CE2-CG 4.3Å; Y117-M119 HydrophobicContact CE2-SD 3.79Å |
| 118 | V | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140 | 177.3 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | L27 L31 Y65 V66 L67 L103 L104 F116 | L27-V118 HydrophobicContact CD2-CG2 3.95Å; L31-V118 HydrophobicContact CD2-CG1 4.38Å; Y65-V118 HydrophobicContact CD1-CG1 4.39Å; Y65-V118 HydrophobicContact CG-CG1 4.34Å; V66-V118 CarbonylContact O-C 3.43Å; V66-V118 WeakPolarHBondContact O-CA 3.28Å; L67-V118 HydrophobicContact CB-CG2 4.36Å; L67-V118 HydrophobicContact CD1-CG2 4.15Å; L67-V118 HydrophobicContact CG-CG2 4.29Å; L103-V118 WeakPolarHBondContact CB-O 3.44Å; L103-V118 HydrophobicContact CD1-CG1 4.36Å; L103-V118 PolarHBondContact N-O 3.21Å; L104-V118 HydrophobicContact CB-CB 4.43Å; L104-V118 PolarHBondContact N-O 2.86Å; L104-V118 VanDerWaalsContact N-O 3.14Å; L104-V118 PolarHBondContact O-N 3Å; F116-V118 HydrophobicContact CD2-CG2 4.07Å; F116-V118 HydrophobicContact CE2-CG2 4.06Å |
| 119 | M | 97.3 | Very high | 93.3 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 9% | 0.089 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 163 | 175.6 | 61.7 | -171.1 | -179.1 | 0 | 0 | 110.7 | Y65 V66 A100 K101 Y117 | Y65-M119 WeakPolarHBondContact CA-O 3Å; V66-M119 HydrophobicContact CB-CE 3.71Å; V66-M119 HydrophobicContact CB-CG 3.87Å; V66-M119 HydrophobicContact CG1-CE 3.43Å; V66-M119 VanDerWaalsContact CG1-CE 3.43Å; V66-M119 HydrophobicContact CG1-CG 4.49Å; V66-M119 HydrophobicContact CG2-CE 4.42Å; V66-M119 PolarHBondContact N-O 2.67Å; V66-M119 PolarHBondContact O-N 2.98Å; A100-M119 HydrophobicContact CB-CB 4.28Å; A100-M119 HydrophobicContact CB-CE 4.5Å; A100-M119 HydrophobicContact CB-CG 4.1Å; A100-M119 HydrophobicContact CB-SD 3.65Å; K101-M119 CarbonylContact O-C 3.51Å; K101-M119 WeakPolarHBondContact O-CA 3.3Å; K101-M119 VanDerWaalsContact O-CB 3.27Å; K101-M119 WeakPolarHBondContact O-CB 3.27Å; Y117-M119 HydrophobicContact CE2-CB 4.47Å; Y117-M119 HydrophobicContact CE2-CG 4.3Å; Y117-M119 HydrophobicContact CE2-SD 3.79Å |
| 120 | E | 95.6 | Very high | 92.9 | Very high | 77 Ų | 77 | 39.1 Ų | 39.1 | 36% | 0.36 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 141.6 | 172.6 | -73.8 | -179.6 | 174.3 | 0 | 0 | 110.6 | K101 L103 V122 | K101-E120 HydrophobicContact CB-CB 4.16Å; K101-E120 HydrophobicContact CB-CG 3.97Å; K101-E120 WeakPolarHBondContact CB-OE2 3.22Å; K101-E120 HydrophobicContact CD-CG 4.02Å; K101-E120 WeakPolarHBondContact CD-OE1 3.46Å; K101-E120 WeakPolarHBondContact CD-OE2 3.31Å; K101-E120 IonicContact NZ-OE1 2.81Å; K101-E120 PolarHBondContact NZ-OE1 3.33Å; K101-E120 PolarHBondContact O-N 2.88Å; L103-E120 HydrophobicContact CD1-CG 3.83Å; L103-E120 HydrophobicContact CD2-CG 3.93Å; L103-E120 HydrophobicContact CG-CG 4.06Å; E120-V122 PolarHBondContact O-N 3.2Å |
| 121 | H | 95.4 | Very high | 92.3 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 18% | 0.181 | 20% | 0.196 | C | C | . | . | trans | -77.3 | 113.7 | 168.5 | 176.9 | -100.2 | 0 | 0 | 0 | 109.7 | Y47 F57 A64 V66 Q123 | Y47-H121 PolarHBondContact OH-CD2 3.25Å; Y47-H121 PolarHBondContact OH-NE2 3.11Å; F57-H121 AromaticContact CD2-CD2 3.71Å; F57-H121 HydrophobicContact CE2-CB 4.39Å; F57-H121 AromaticContact CE2-CD2 3.67Å; F57-H121 AromaticContact CE2-CG 3.78Å; F57-H121 AromaticContact CE2-NE2 3.85Å; A64-H121 HydrophobicContact CB-CB 3.71Å; A64-H121 WeakPolarHBondContact O-CB 3.18Å; A64-H121 PolarHBondContact O-N 2.84Å; V66-H121 HydrophobicContact CG2-CB 4.13Å; H121-Q123 PolarHBondContact O-N 3.49Å | ||
| 122 | V | 95.2 | Very high | 91.9 | Very high | 38 Ų | 38 | 35.9 Ų | 35.9 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | trans | -87.9 | 105.8 | 179.2 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | A100 E120 G124 V227 I236 A237 | A100-V122 HydrophobicContact CB-CG2 3.77Å; E120-V122 PolarHBondContact O-N 3.2Å; V122-G124 PolarHBondContact O-N 3.18Å; V122-V227 HydrophobicContact CG1-CB 4.43Å; V122-V227 HydrophobicContact CG1-CG1 4.01Å; V122-I236 HydrophobicContact CG1-CD1 3.5Å; V122-I236 HydrophobicContact CG1-CG1 3.75Å; V122-A237 HydrophobicContact CB-CB 4.26Å; V122-A237 HydrophobicContact CG1-CB 4.03Å; V122-A237 HydrophobicContact CG2-CB 4.06Å | ||
| 123 | Q | 93.5 | Very high | 91.5 | Very high | 129 Ų | 129 | 39 Ų | 39 | 60% | 0.603 | 21% | 0.212 | S | C | * | . | trans | -79.5 | 116.8 | 178 | -170.8 | 174.2 | 8.8 | 0 | 0 | 110.9 | H121 | H121-Q123 PolarHBondContact O-N 3.49Š| ||
| 124 | G | 93.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | trans | -168.8 | -173.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T3 V122 F228 | T3-G124 WeakPolarHBondContact CG2-O 3.49Å; T3-G124 PolarHBondContact OG1-O 2.72Å; V122-G124 PolarHBondContact O-N 3.18Å; G124-F228 CarbonylContact C-O 3.57Å; G124-F228 WeakPolarHBondContact CA-O 3.27Å | ||
| 125 | R | 93.4 | Very high | 90.9 | Very high | 24 Ų | 24 | 40.4 Ų | 40.4 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -91.1 | 132.4 | 178.3 | -57.7 | 178.7 | -69.8 | 167.6 | -0.2 | 109.3 | F127 E139 F228 H229 P230 E232 | R125-F127 HydrophobicContact CB-CE2 4.19Å; R125-F127 HydrophobicContact CB-CZ 4.09Å; R125-E139 IonicContact CZ-OE1 2.89Å; R125-E139 IonicContact NH1-OE1 3.23Å; R125-E139 PolarHBondContact NH1-OE1 3.01Å; R125-E139 IonicContact NH2-OE1 2.84Å; R125-F228 HydrophobicContact CB-CB 4.31Å; R125-F228 PolarHBondContact N-O 2.78Å; R125-F228 PolarHBondContact O-N 3.37Å; R125-H229 PolarHBondContact NE-O 3.49Å; R125-H229 PolarHBondContact NH2-O 3.41Å; R125-P230 WeakPolarHBondContact CD-O 3.42Å; R125-P230 PolarHBondContact NE-O 2.82Å; R125-E232 VanDerWaalsContact NH2-C 3.34Å; R125-E232 PolarHBondContact NH2-O 3.43Å |
| 126 | I | 91.9 | Very high | 90.4 | Very high | 45 Ų | 45 | 41.7 Ų | 41.7 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | trans | -118.5 | 124.4 | 170.9 | -60.7 | 175.9 | 0 | 0 | 0 | 107.4 | R128 D224 V227 L239 | I126-R128 HydrophobicContact CG2-CG 4.43Å; I126-D224 WeakPolarHBondContact CG2-O 3.24Å; I126-V227 HydrophobicContact CD1-CG2 4.15Å; I126-V227 HydrophobicContact CG1-CG2 4.11Å; I126-L239 HydrophobicContact CD1-CD1 4.36Å | ||
| 127 | F | 89.7 | Confident | 89.8 | Confident | 27 Ų | 27 | 43.8 Ų | 43.8 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | trans | -101.5 | 108.1 | 179.3 | -59.8 | -72.3 | 0 | 0 | 0 | 109.5 | R125 I132 V135 I143 L223 D224 F228 | R125-F127 HydrophobicContact CB-CE2 4.19Å; R125-F127 HydrophobicContact CB-CZ 4.09Å; F127-I132 HydrophobicContact CB-CG1 4.46Å; F127-I132 HydrophobicContact CD1-CG2 3.63Å; F127-I132 HydrophobicContact CD2-CG2 4.4Å; F127-I132 HydrophobicContact CE1-CG2 3.67Å; F127-I132 HydrophobicContact CE2-CG2 4.45Å; F127-I132 HydrophobicContact CG-CG2 4.01Å; F127-I132 HydrophobicContact CZ-CG2 4.09Å; F127-V135 HydrophobicContact CE1-CG1 4.46Å; F127-I143 HydrophobicContact CD2-CG2 4.48Å; F127-I143 HydrophobicContact CE2-CD1 3.73Å; F127-I143 HydrophobicContact CE2-CG1 4.41Å; F127-I143 HydrophobicContact CZ-CD1 3.87Å; F127-L223 HydrophobicContact CB-CD2 3.67Å; F127-L223 HydrophobicContact CB-CG 3.9Å; F127-L223 CarbonylContact O-C 3.56Å; F127-L223 WeakPolarHBondContact O-CG 3.38Å; F127-D224 PolarHBondContact O-N 3.41Å; F127-F228 AromaticContact CD2-CD2 3.55Å; F127-F228 HydrophobicContact CD2-CD2 3.55Å; F127-F228 AromaticContact CD2-CE2 3.7Å; F127-F228 HydrophobicContact CD2-CE2 3.7Å; F127-F228 HydrophobicContact CD2-CG 4.32Å; F127-F228 HydrophobicContact CE2-CB 4.34Å; F127-F228 AromaticContact CE2-CD2 3.73Å; F127-F228 HydrophobicContact CE2-CD2 3.73Å; F127-F228 HydrophobicContact CE2-CE2 4.23Å; F127-F228 HydrophobicContact CE2-CG 4.05Å | ||
| 128 | R | 84.8 | Confident | 89.2 | Confident | 105 Ų | 105 | 45.9 Ų | 45.9 | 40% | 0.396 | 27% | 0.27 | S | S | . | . | trans | -86.3 | -22 | 175.7 | -62.7 | 178.1 | 178.9 | 111.4 | 4.8 | 112.6 | D8 I126 D224 | D8-R128 VanDerWaalsContact CG-NH2 3.28Å; D8-R128 IonicContact OD1-CZ 3.51Å; D8-R128 IonicContact OD1-NH1 3.68Å; D8-R128 PolarHBondContact OD1-NH1 3.46Å; D8-R128 IonicContact OD1-NH2 2.73Å; D8-R128 PolarHBondContact OD1-NH2 2.88Å; D8-R128 IonicContact OD2-CZ 2.94Å; D8-R128 IonicContact OD2-NH1 2.67Å; D8-R128 PolarHBondContact OD2-NH1 2.91Å; D8-R128 VanDerWaalsContact OD2-NH1 3.16Å; D8-R128 IonicContact OD2-NH2 2.7Å; D8-R128 PolarHBondContact OD2-NH2 2.98Å; I126-R128 HydrophobicContact CG2-CG 4.43Å; R128-D224 HydrophobicContact CG-CB 4.18Å | ||
| 129 | D | 81.9 | Confident | 88.8 | Confident | 25 Ų | 25 | 48.4 Ų | 48.4 | 13% | 0.134 | 28% | 0.282 | C | S | . | . | trans | -92.5 | 119.8 | 172.3 | -172.5 | -3.8 | 0 | 0 | 0 | 110 | S131 I132 P133 N270 | D129-S131 PolarHBondContact O-N 3.5Å; D129-S131 WeakPolarHBondContact OD1-CA 3.06Å; D129-S131 VanDerWaalsContact OD1-CB 3.26Å; D129-S131 WeakPolarHBondContact OD1-CB 3.4Å; D129-S131 PolarHBondContact OD1-N 3.18Å; D129-S131 PolarHBondContact OD1-OG 2.98Å; D129-S131 PolarHBondContact OD2-OG 3.49Å; D129-I132 PolarHBondContact O-N 3.48Å; D129-P133 HydrophobicContact CB-CG 4.31Å; D129-P133 VanDerWaalsContact OD2-CD 3.27Å; D129-P133 WeakPolarHBondContact OD2-CD 3.21Å; D129-P133 WeakPolarHBondContact OD2-CG 3.4Å; D129-N270 VanDerWaalsContact CA-ND2 3.28Å; D129-N270 WeakPolarHBondContact CA-ND2 3.43Å; D129-N270 WeakPolarHBondContact CB-ND2 3.5Å; D129-N270 PolarHBondContact OD1-ND2 2.97Å; D129-N270 VanDerWaalsContact OD2-CG 3.26Å; D129-N270 PolarHBondContact OD2-ND2 3.37Å; D129-N270 PolarHBondContact OD2-OD1 2.61Å | ||
| 130 | F | 83.4 | Confident | 88.5 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 18% | 0.18 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -20.9 | 173 | -65.2 | -84.8 | 0 | 0 | 0 | 112.4 | I132 Y144 L223 F259 | F130-I132 PolarHBondContact O-N 2.96Å; F130-Y144 PolarHBondContact O-OH 2.93Å; F130-L223 HydrophobicContact CD1-CB 4.03Å; F130-L223 HydrophobicContact CD1-CD2 4.27Å; F130-L223 HydrophobicContact CE1-CB 3.79Å; F130-F259 HydrophobicContact CB-CB 4.45Å; F130-F259 HydrophobicContact CB-CD2 4.38Å; F130-F259 HydrophobicContact CB-CG 4.4Å; F130-F259 HydrophobicContact CD1-CB 4.11Å; F130-F259 HydrophobicContact CD1-CD1 4.05Å; F130-F259 HydrophobicContact CD1-CG 4.08Å; F130-F259 HydrophobicContact CD2-CB 4.38Å; F130-F259 HydrophobicContact CE1-CB 4.47Å; F130-F259 HydrophobicContact CE1-CD1 4.43Å; F130-F259 HydrophobicContact CG-CB 4.06Å; F130-F259 HydrophobicContact CG-CG 4.28Å |
| 131 | S | 82.6 | Confident | 88.3 | Confident | 44 Ų | 44 | 45.5 Ų | 45.5 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -17.2 | 169.9 | 96.2 | 0 | 0 | 0 | 0 | 112.5 | D129 R140 | D129-S131 PolarHBondContact O-N 3.5Å; D129-S131 WeakPolarHBondContact OD1-CA 3.06Å; D129-S131 VanDerWaalsContact OD1-CB 3.26Å; D129-S131 WeakPolarHBondContact OD1-CB 3.4Å; D129-S131 PolarHBondContact OD1-N 3.18Å; D129-S131 PolarHBondContact OD1-OG 2.98Å; D129-S131 PolarHBondContact OD2-OG 3.49Å; S131-R140 WeakPolarHBondContact O-CD 3.42Å; S131-R140 PolarHBondContact O-NE 2.87Å; S131-R140 PolarHBondContact O-NH1 3.19Å |
| 132 | I | 87.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | 47.3 | 64.9 | -179.2 | -45.2 | -176.3 | 0 | 0 | 0 | 111.4 | F127 D129 F130 V135 R140 I143 Y144 L223 | F127-I132 HydrophobicContact CB-CG1 4.46Å; F127-I132 HydrophobicContact CD1-CG2 3.63Å; F127-I132 HydrophobicContact CD2-CG2 4.4Å; F127-I132 HydrophobicContact CE1-CG2 3.67Å; F127-I132 HydrophobicContact CE2-CG2 4.45Å; F127-I132 HydrophobicContact CG-CG2 4.01Å; F127-I132 HydrophobicContact CZ-CG2 4.09Å; D129-I132 PolarHBondContact O-N 3.48Å; F130-I132 PolarHBondContact O-N 2.96Å; I132-V135 HydrophobicContact CB-CG2 4.26Å; I132-V135 HydrophobicContact CG2-CG1 4.19Å; I132-V135 HydrophobicContact CG2-CG2 3.52Å; I132-V135 WeakPolarHBondContact O-CG2 3.25Å; I132-R140 HydrophobicContact CB-CG 4.07Å; I132-R140 HydrophobicContact CD1-CG 4.08Å; I132-R140 HydrophobicContact CG1-CG 4.38Å; I132-R140 PolarHBondContact O-NE 3.07Å; I132-R140 PolarHBondContact O-NH2 2.71Å; I132-I143 HydrophobicContact CD1-CB 4.21Å; I132-I143 HydrophobicContact CD1-CD1 4.42Å; I132-I143 HydrophobicContact CD1-CG2 3.59Å; I132-I143 HydrophobicContact CG2-CD1 4.01Å; I132-Y144 HydrophobicContact CD1-CD2 3.98Å; I132-Y144 HydrophobicContact CD1-CE2 3.63Å; I132-Y144 HydrophobicContact CG1-CE2 4.29Å; I132-L223 HydrophobicContact CD1-CD2 3.94Å; I132-L223 HydrophobicContact CG1-CD2 3.87Å | ||
| 133 | P | 84.7 | Confident | 88.2 | Confident | 79 Ų | 79 | 43.3 Ų | 43.3 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 151.1 | -177.7 | 30 | -34.2 | 0 | 0 | 0 | 110.6 | D129 | D129-P133 HydrophobicContact CB-CG 4.31Å; D129-P133 VanDerWaalsContact OD2-CD 3.27Å; D129-P133 WeakPolarHBondContact OD2-CD 3.21Å; D129-P133 WeakPolarHBondContact OD2-CG 3.4Å |
| 134 | G | 84.1 | Confident | 88.3 | Confident | 85 Ų | 85 | 37.2 Ų | 37.2 | 88% | 0.876 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 9.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 135 | V | 87.9 | Confident | 88.4 | Confident | 24 Ų | 24 | 38.3 Ų | 38.3 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -118.4 | 156.7 | 168.4 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | F127 I132 E139 R140 I143 | F127-V135 HydrophobicContact CE1-CG1 4.46Å; I132-V135 HydrophobicContact CB-CG2 4.26Å; I132-V135 HydrophobicContact CG2-CG1 4.19Å; I132-V135 HydrophobicContact CG2-CG2 3.52Å; I132-V135 WeakPolarHBondContact O-CG2 3.25Å; V135-E139 HydrophobicContact CB-CB 4.08Å; V135-E139 HydrophobicContact CB-CG 4.13Å; V135-E139 WeakPolarHBondContact CB-OE2 3.4Å; V135-E139 HydrophobicContact CG2-CB 4.38Å; V135-R140 HydrophobicContact CG2-CB 4.01Å; V135-R140 HydrophobicContact CG2-CG 4.48Å; V135-R140 PolarHBondContact O-NH2 3.36Å; V135-I143 HydrophobicContact CG2-CD1 4.44Å |
| 136 | S | 85.1 | Confident | 88.7 | Confident | 70 Ų | 70 | 37.7 Ų | 37.7 | 49% | 0.49 | 24% | 0.236 | S | C | . | . | trans | -66.5 | 160.7 | 175.9 | 74.5 | 0 | 0 | 0 | 0 | 112 | A138 E139 R140 | S136-A138 VanDerWaalsContact C-N 3.33Å; S136-A138 PolarHBondContact O-N 3.04Å; S136-E139 PolarHBondContact O-N 2.95Å; S136-E139 VanDerWaalsContact OG-CB 3.32Å; S136-E139 WeakPolarHBondContact OG-CB 3.3Å; S136-E139 PolarHBondContact OG-N 3.11Å; S136-E139 VanDerWaalsContact OG-N 3.12Å; S136-R140 WeakPolarHBondContact O-CB 3.46Å; S136-R140 PolarHBondContact O-N 2.98Å | ||
| 137 | S | 84 | Confident | 88.9 | Confident | 43 Ų | 43 | 35.6 Ų | 35.6 | 30% | 0.301 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.6 | -44.3 | 176 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | E139 R140 A141 N278 G280 | S137-E139 PolarHBondContact O-N 2.9Å; S137-R140 WeakPolarHBondContact O-CB 3.38Å; S137-R140 PolarHBondContact O-N 3.07Å; S137-A141 PolarHBondContact O-N 3.21Å; S137-N278 PolarHBondContact OG-O 3.29Å; S137-G280 WeakPolarHBondContact O-CA 3.43Å; S137-G280 WeakPolarHBondContact OG-CA 2.86Å; S137-G280 PolarHBondContact OG-N 3.08Å |
| 138 | A | 83.6 | Confident | 89.3 | Confident | 46 Ų | 46 | 34.3 Ų | 34.3 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S136 R140 A141 A142 | S136-A138 VanDerWaalsContact C-N 3.33Å; S136-A138 PolarHBondContact O-N 3.04Å; A138-R140 VanDerWaalsContact C-N 3.34Å; A138-A141 PolarHBondContact O-N 2.9Å; A138-A142 WeakPolarHBondContact O-CB 2.87Å; A138-A142 PolarHBondContact O-N 3.39Å |
| 139 | E | 89.1 | Confident | 90 | Very high | 53 Ų | 53 | 33 Ų | 33 | 25% | 0.248 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.2 | -40.1 | 176 | -165.9 | -177.6 | 168.4 | 0 | 0 | 111.2 | R125 V135 S136 S137 A141 A142 I143 C233 | R125-E139 IonicContact CZ-OE1 2.89Å; R125-E139 IonicContact NH1-OE1 3.23Å; R125-E139 PolarHBondContact NH1-OE1 3.01Å; R125-E139 IonicContact NH2-OE1 2.84Å; V135-E139 HydrophobicContact CB-CB 4.08Å; V135-E139 HydrophobicContact CB-CG 4.13Å; V135-E139 WeakPolarHBondContact CB-OE2 3.4Å; V135-E139 HydrophobicContact CG2-CB 4.38Å; S136-E139 PolarHBondContact O-N 2.95Å; S136-E139 VanDerWaalsContact OG-CB 3.32Å; S136-E139 WeakPolarHBondContact OG-CB 3.3Å; S136-E139 PolarHBondContact OG-N 3.11Å; S136-E139 VanDerWaalsContact OG-N 3.12Å; S137-E139 PolarHBondContact O-N 2.9Å; E139-A141 PolarHBondContact O-N 2.65Å; E139-A142 PolarHBondContact O-N 3.14Å; E139-I143 HydrophobicContact CG-CD1 4.27Å; E139-I143 VanDerWaalsContact O-CG1 3.29Å; E139-I143 WeakPolarHBondContact O-CG1 3.36Å; E139-I143 PolarHBondContact O-N 3.31Å; E139-C233 WeakPolarHBondContact CG-SG 3.38Å |
| 140 | R | 91.8 | Very high | 90.8 | Very high | 33 Ų | 33 | 32.2 Ų | 32.2 | 13% | 0.125 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.4 | -160.8 | 172.2 | -50.8 | -174.3 | 1.9 | 111.9 | S131 I132 V135 S136 S137 A138 I143 Y144 T279 G280 I281 | S131-R140 WeakPolarHBondContact O-CD 3.42Å; S131-R140 PolarHBondContact O-NE 2.87Å; S131-R140 PolarHBondContact O-NH1 3.19Å; I132-R140 HydrophobicContact CB-CG 4.07Å; I132-R140 HydrophobicContact CD1-CG 4.08Å; I132-R140 HydrophobicContact CG1-CG 4.38Å; I132-R140 PolarHBondContact O-NE 3.07Å; I132-R140 PolarHBondContact O-NH2 2.71Å; V135-R140 HydrophobicContact CG2-CB 4.01Å; V135-R140 HydrophobicContact CG2-CG 4.48Å; V135-R140 PolarHBondContact O-NH2 3.36Å; S136-R140 WeakPolarHBondContact O-CB 3.46Å; S136-R140 PolarHBondContact O-N 2.98Å; S137-R140 WeakPolarHBondContact O-CB 3.38Å; S137-R140 PolarHBondContact O-N 3.07Å; A138-R140 VanDerWaalsContact C-N 3.34Å; R140-I143 PolarHBondContact O-N 3.32Å; R140-Y144 HydrophobicContact CG-CD2 4.28Å; R140-Y144 HydrophobicContact CG-CE2 4.35Å; R140-Y144 WeakPolarHBondContact O-CD2 3.4Å; R140-Y144 PolarHBondContact O-N 3.04Å; R140-Y144 VanDerWaalsContact O-N 3.09Å; R140-T279 WeakPolarHBondContact CD-O 3.18Å; R140-T279 PolarHBondContact NE-O 3.39Å; R140-G280 CarbonylContact C-O 3.54Å; R140-I281 HydrophobicContact CG-CG1 4.09Å |
| 141 | A | 91.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.6 | -49 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S137 A138 E139 I143 Y144 V145 G280 L371 F372 | S137-A141 PolarHBondContact O-N 3.21Å; A138-A141 PolarHBondContact O-N 2.9Å; E139-A141 PolarHBondContact O-N 2.65Å; A141-I143 VanDerWaalsContact C-N 3.32Å; A141-I143 PolarHBondContact O-N 3.25Å; A141-Y144 PolarHBondContact O-N 3.3Å; A141-V145 VanDerWaalsContact O-CG2 3.3Å; A141-V145 WeakPolarHBondContact O-CG2 3.46Å; A141-V145 PolarHBondContact O-N 2.98Å; A141-G280 WeakPolarHBondContact CA-O 3.46Å; A141-G280 PolarHBondContact N-O 3.26Å; A141-L371 HydrophobicContact CB-CD1 3.55Å; A141-L371 HydrophobicContact CB-CG 3.93Å; A141-F372 HydrophobicContact CB-CE1 4.34Å |
| 142 | A | 93.5 | Very high | 92.2 | Very high | 31 Ų | 31 | 28.2 Ų | 28.2 | 26% | 0.256 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.9 | -38 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | A138 E139 V145 S146 C233 | A138-A142 WeakPolarHBondContact O-CB 2.87Å; A138-A142 PolarHBondContact O-N 3.39Å; E139-A142 PolarHBondContact O-N 3.14Å; A142-V145 PolarHBondContact O-N 3.45Å; A142-S146 PolarHBondContact O-N 2.9Å; A142-C233 HydrophobicContact CB-CB 3.68Å |
| 143 | I | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.2 | -49.9 | 174.7 | -72.6 | 162 | 0 | 0 | 0 | 110.8 | F127 I132 V135 E139 R140 A141 V145 S146 V147 L223 F228 C233 | F127-I143 HydrophobicContact CD2-CG2 4.48Å; F127-I143 HydrophobicContact CE2-CD1 3.73Å; F127-I143 HydrophobicContact CE2-CG1 4.41Å; F127-I143 HydrophobicContact CZ-CD1 3.87Å; I132-I143 HydrophobicContact CD1-CB 4.21Å; I132-I143 HydrophobicContact CD1-CD1 4.42Å; I132-I143 HydrophobicContact CD1-CG2 3.59Å; I132-I143 HydrophobicContact CG2-CD1 4.01Å; V135-I143 HydrophobicContact CG2-CD1 4.44Å; E139-I143 HydrophobicContact CG-CD1 4.27Å; E139-I143 VanDerWaalsContact O-CG1 3.29Å; E139-I143 WeakPolarHBondContact O-CG1 3.36Å; E139-I143 PolarHBondContact O-N 3.31Å; R140-I143 PolarHBondContact O-N 3.32Å; A141-I143 VanDerWaalsContact C-N 3.32Å; A141-I143 PolarHBondContact O-N 3.25Å; I143-V145 PolarHBondContact O-N 2.8Å; I143-S146 WeakPolarHBondContact O-CB 3.41Å; I143-S146 PolarHBondContact O-N 3.34Å; I143-V147 WeakPolarHBondContact O-CG2 3.45Å; I143-V147 PolarHBondContact O-N 2.83Å; I143-L223 HydrophobicContact CG2-CD1 4.34Å; I143-F228 HydrophobicContact CB-CE1 4.49Å; I143-F228 HydrophobicContact CG2-CD1 4.35Å; I143-F228 HydrophobicContact CG2-CE1 3.65Å; I143-F228 HydrophobicContact CG2-CE2 4.29Å; I143-F228 HydrophobicContact CG2-CZ 3.6Å; I143-C233 HydrophobicContact CG1-CB 4.19Å |
| 144 | Y | 95.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.6 | -36 | 179.6 | -90.1 | -81.1 | 0 | 0 | 0 | 113.2 | F130 I132 R140 A141 V147 A148 F259 I281 P282 L287 | F130-Y144 PolarHBondContact O-OH 2.93Å; I132-Y144 HydrophobicContact CD1-CD2 3.98Å; I132-Y144 HydrophobicContact CD1-CE2 3.63Å; I132-Y144 HydrophobicContact CG1-CE2 4.29Å; R140-Y144 HydrophobicContact CG-CD2 4.28Å; R140-Y144 HydrophobicContact CG-CE2 4.35Å; R140-Y144 WeakPolarHBondContact O-CD2 3.4Å; R140-Y144 PolarHBondContact O-N 3.04Å; R140-Y144 VanDerWaalsContact O-N 3.09Å; A141-Y144 PolarHBondContact O-N 3.3Å; Y144-V147 PolarHBondContact O-N 2.89Å; Y144-A148 PolarHBondContact O-N 3.35Å; Y144-F259 AromaticContact CE1-CE1 3.89Å; Y144-F259 HydrophobicContact CE1-CE1 3.89Å; Y144-F259 AromaticContact CE1-CZ 3.61Å; Y144-F259 HydrophobicContact CE1-CZ 3.61Å; Y144-F259 AromaticContact CZ-CZ 3.94Å; Y144-I281 HydrophobicContact CD2-CG2 4.45Å; Y144-I281 HydrophobicContact CE2-CB 4.38Å; Y144-I281 HydrophobicContact CE2-CG1 4.08Å; Y144-I281 HydrophobicContact CE2-CG2 3.92Å; Y144-P282 VanDerWaalsContact CB-CD 3.5Å; Y144-P282 HydrophobicContact CD1-CG 4.09Å; Y144-P282 HydrophobicContact CG-CG 3.9Å; Y144-L287 HydrophobicContact CD1-CD1 4.15Å |
| 145 | V | 96.1 | Very high | 94 | Very high | 27 Ų | 27 | 25.2 Ų | 25.2 | 16% | 0.164 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.4 | -50.9 | 170 | 171.8 | 0 | 0 | 0 | 0 | 109.8 | A141 A142 I143 V147 A148 E149 I290 L371 | A141-V145 VanDerWaalsContact O-CG2 3.3Å; A141-V145 WeakPolarHBondContact O-CG2 3.46Å; A141-V145 PolarHBondContact O-N 2.98Å; A142-V145 PolarHBondContact O-N 3.45Å; I143-V145 PolarHBondContact O-N 2.8Å; V145-V147 VanDerWaalsContact C-N 3.27Å; V145-V147 PolarHBondContact O-N 3.43Å; V145-A148 PolarHBondContact O-N 3.48Å; V145-A148 VanDerWaalsContact O-N 3.14Å; V145-E149 HydrophobicContact CG1-CG 4.08Å; V145-E149 WeakPolarHBondContact O-CB 3.3Å; V145-E149 WeakPolarHBondContact O-CG 3.3Å; V145-E149 PolarHBondContact O-N 3.08Å; V145-I290 HydrophobicContact CG1-CG2 4.35Å; V145-I290 HydrophobicContact CG2-CD1 3.89Å; V145-L371 HydrophobicContact CG2-CD2 3.55Å |
| 146 | S | 97.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 27 Ų | 27 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.6 | -35.9 | -179.6 | -167.3 | 0 | 0 | 0 | 0 | 112.7 | A142 I143 T150 C233 R234 V235 | A142-S146 PolarHBondContact O-N 2.9Å; I143-S146 WeakPolarHBondContact O-CB 3.41Å; I143-S146 PolarHBondContact O-N 3.34Å; S146-T150 VanDerWaalsContact O-CB 3.25Å; S146-T150 WeakPolarHBondContact O-CB 3.34Å; S146-T150 PolarHBondContact O-N 3.33Å; S146-T150 PolarHBondContact O-OG1 3.23Å; S146-C233 VanDerWaalsContact CB-O 3.31Å; S146-C233 WeakPolarHBondContact CB-O 3.46Å; S146-C233 PolarHBondContact OG-O 2.97Å; S146-R234 WeakPolarHBondContact OG-CA 3.19Å; S146-V235 PolarHBondContact OG-N 3.22Å |
| 147 | V | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.2 | -51.1 | 173.5 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | I143 Y144 V145 T150 L151 F221 L223 I226 F228 L256 | I143-V147 WeakPolarHBondContact O-CG2 3.45Å; I143-V147 PolarHBondContact O-N 2.83Å; Y144-V147 PolarHBondContact O-N 2.89Å; V145-V147 VanDerWaalsContact C-N 3.27Å; V145-V147 PolarHBondContact O-N 3.43Å; V147-T150 PolarHBondContact O-N 3.49Å; V147-L151 PolarHBondContact O-N 3.48Å; V147-F221 HydrophobicContact CG1-CE1 3.72Å; V147-F221 HydrophobicContact CG1-CZ 4.44Å; V147-L223 HydrophobicContact CG2-CD1 3.86Å; V147-I226 HydrophobicContact CB-CD1 4.44Å; V147-I226 HydrophobicContact CG1-CD1 3.91Å; V147-I226 HydrophobicContact CG2-CD1 3.94Å; V147-F228 HydrophobicContact CG2-CE1 4.01Å; V147-F228 HydrophobicContact CG2-CZ 3.52Å; V147-L256 HydrophobicContact CG1-CD1 3.85Å; V147-L256 HydrophobicContact CG1-CD2 3.79Å; V147-L256 HydrophobicContact CG1-CG 4.49Å |
| 148 | A | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.9 | -41.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y144 V145 L151 A152 L287 I290 | Y144-A148 PolarHBondContact O-N 3.35Å; V145-A148 PolarHBondContact O-N 3.48Å; V145-A148 VanDerWaalsContact O-N 3.14Å; A148-L151 PolarHBondContact O-N 2.91Å; A148-A152 WeakPolarHBondContact O-CB 3.42Å; A148-A152 PolarHBondContact O-N 2.79Å; A148-L287 HydrophobicContact CB-CD1 3.82Å; A148-L287 HydrophobicContact CB-CG 4.44Å; A148-I290 HydrophobicContact CB-CB 4.22Å; A148-I290 HydrophobicContact CB-CG2 3.79Å |
| 149 | E | 98.1 | Very high | 95.4 | Very high | 77 Ų | 77 | 25.8 Ų | 25.8 | 36% | 0.36 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -66.3 | -38.8 | 176.9 | -72.2 | -176 | 146.3 | 0 | 0 | 112.4 | V145 A152 W153 I290 R294 | V145-E149 HydrophobicContact CG1-CG 4.08Å; V145-E149 WeakPolarHBondContact O-CB 3.3Å; V145-E149 WeakPolarHBondContact O-CG 3.3Å; V145-E149 PolarHBondContact O-N 3.08Å; E149-A152 PolarHBondContact O-N 3.39Å; E149-W153 WeakPolarHBondContact O-CB 3.33Å; E149-W153 PolarHBondContact O-N 2.81Å; E149-I290 HydrophobicContact CG-CG2 4.11Å; E149-R294 HydrophobicContact CB-CG 4.42Å; E149-R294 HydrophobicContact CG-CG 4.36Å |
| 150 | T | 98.7 | Very high | 95.3 | Very high | 10 Ų | 10 | 33 Ų | 33 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | 175.7 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | F97 P98 S146 V147 W153 L154 F221 V235 V238 | F97-T150 HydrophobicContact CE2-CG2 4.32Å; F97-T150 HydrophobicContact CZ-CG2 3.88Å; P98-T150 HydrophobicContact CG-CG2 4.2Å; S146-T150 VanDerWaalsContact O-CB 3.25Å; S146-T150 WeakPolarHBondContact O-CB 3.34Å; S146-T150 PolarHBondContact O-N 3.33Å; S146-T150 PolarHBondContact O-OG1 3.23Å; V147-T150 PolarHBondContact O-N 3.49Å; T150-W153 PolarHBondContact O-N 3.11Å; T150-L154 PolarHBondContact O-N 3.05Å; T150-F221 HydrophobicContact CG2-CZ 4.43Å; T150-V235 HydrophobicContact CG2-CB 4.38Å; T150-V235 HydrophobicContact CG2-CG1 4.13Å; T150-V235 HydrophobicContact CG2-CG2 4.49Å; T150-V235 WeakPolarHBondContact OG1-CG2 3.34Å; T150-V238 HydrophobicContact CG2-CG2 3.85Å |
| 151 | L | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 175.3 | -174.5 | 56 | 0 | 0 | 0 | 111.9 | V147 A148 W153 L154 H155 F221 D252 L253 L256 Y291 | V147-L151 PolarHBondContact O-N 3.48Å; A148-L151 PolarHBondContact O-N 2.91Å; L151-W153 VanDerWaalsContact C-N 3.33Å; L151-W153 PolarHBondContact O-N 3.4Å; L151-L154 HydrophobicContact CD1-CD2 4.45Å; L151-L154 WeakPolarHBondContact O-CB 3.43Å; L151-L154 PolarHBondContact O-N 2.79Å; L151-H155 WeakPolarHBondContact CD1-CE1 3.5Å; L151-H155 WeakPolarHBondContact CD1-NE2 3.34Å; L151-H155 PolarHBondContact O-N 2.9Å; L151-H155 VanDerWaalsContact O-N 3.07Å; L151-F221 HydrophobicContact CB-CD1 4.23Å; L151-F221 HydrophobicContact CB-CE1 3.67Å; L151-F221 HydrophobicContact CB-CE2 4.43Å; L151-F221 HydrophobicContact CB-CZ 3.79Å; L151-F221 HydrophobicContact CD1-CB 4.28Å; L151-F221 HydrophobicContact CD1-CD1 3.87Å; L151-F221 HydrophobicContact CD1-CD2 3.89Å; L151-F221 HydrophobicContact CD1-CE1 4.1Å; L151-F221 HydrophobicContact CD1-CE2 4.13Å; L151-F221 HydrophobicContact CD1-CG 3.74Å; L151-F221 HydrophobicContact CD1-CZ 4.23Å; L151-F221 HydrophobicContact CD2-CD1 3.94Å; L151-F221 HydrophobicContact CD2-CE1 4.16Å; L151-F221 HydrophobicContact CG-CD1 4.23Å; L151-F221 HydrophobicContact CG-CE1 4.19Å; L151-D252 HydrophobicContact CD1-CB 3.89Å; L151-D252 HydrophobicContact CD2-CB 4.42Å; L151-L253 HydrophobicContact CD2-CB 4.35Å; L151-L253 HydrophobicContact CD2-CD1 4.16Å; L151-L256 HydrophobicContact CD2-CD2 3.96Å; L151-Y291 HydrophobicContact CB-CD2 4.39Å; L151-Y291 HydrophobicContact CD2-CD2 4.45Å; L151-Y291 HydrophobicContact CD2-CE2 4.42Å; L151-Y291 HydrophobicContact CG-CD2 4.25Å; L151-Y291 HydrophobicContact CG-CE2 4.01Å |
| 152 | A | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A148 E149 H155 S156 Y291 R294 R295 | A148-A152 WeakPolarHBondContact O-CB 3.42Å; A148-A152 PolarHBondContact O-N 2.79Å; E149-A152 PolarHBondContact O-N 3.39Å; A152-H155 PolarHBondContact O-N 2.98Å; A152-S156 WeakPolarHBondContact O-CB 3.42Å; A152-S156 PolarHBondContact O-N 2.83Å; A152-S156 PolarHBondContact O-OG 3.13Å; A152-Y291 HydrophobicContact CB-CD2 3.71Å; A152-Y291 HydrophobicContact CB-CE2 4.04Å; A152-Y291 HydrophobicContact CB-CG 4.44Å; A152-R294 HydrophobicContact CB-CB 3.59Å; A152-R294 HydrophobicContact CB-CG 3.57Å; A152-R295 HydrophobicContact CB-CG 3.89Å; A152-R295 WeakPolarHBondContact O-CD 3.42Å |
| 153 | W | 98 | Very high | 94.7 | Very high | 97 Ų | 97 | 42.3 Ų | 42.3 | 37% | 0.367 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.9 | -47.5 | 175 | -179 | 15 | 0 | 0 | 0 | 111.2 | G96 F97 P98 E149 T150 L151 H155 S156 L157 | G96-W153 VanDerWaalsContact O-CH2 3.27Å; G96-W153 WeakPolarHBondContact O-CH2 3.39Å; F97-W153 HydrophobicContact CB-CZ2 4.31Å; F97-W153 AromaticContact CD2-CD2 3.66Å; F97-W153 HydrophobicContact CD2-CD2 3.66Å; F97-W153 AromaticContact CD2-CE2 3.85Å; F97-W153 AromaticContact CD2-CE3 3.89Å; F97-W153 HydrophobicContact CD2-CE3 3.89Å; F97-W153 HydrophobicContact CD2-CG 4.06Å; F97-W153 HydrophobicContact CD2-CH2 4.5Å; F97-W153 HydrophobicContact CD2-CZ2 4.26Å; F97-W153 HydrophobicContact CD2-CZ3 4.32Å; F97-W153 HydrophobicContact CE2-CB 4.33Å; F97-W153 HydrophobicContact CE2-CD2 4.01Å; F97-W153 HydrophobicContact CE2-CE3 4.11Å; F97-W153 HydrophobicContact CE2-CG 4.13Å; P98-W153 HydrophobicContact CG-CZ3 4.25Å; E149-W153 WeakPolarHBondContact O-CB 3.33Å; E149-W153 PolarHBondContact O-N 2.81Å; T150-W153 PolarHBondContact O-N 3.11Å; L151-W153 VanDerWaalsContact C-N 3.33Å; L151-W153 PolarHBondContact O-N 3.4Å; W153-H155 VanDerWaalsContact C-N 3.3Å; W153-H155 PolarHBondContact O-N 2.96Å; W153-S156 PolarHBondContact O-N 3.02Å; W153-L157 WeakPolarHBondContact O-CG 3.43Å; W153-L157 PolarHBondContact O-N 3.4Å |
| 154 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.2 | -48 | 178 | -179.8 | 61.2 | 0 | 0 | 0 | 111.7 | L92 F97 T150 L151 S156 L157 L216 H218 W241 | L92-L154 HydrophobicContact CD2-CD1 4.27Å; F97-L154 HydrophobicContact CE1-CD1 4.3Å; F97-L154 HydrophobicContact CE2-CB 3.79Å; F97-L154 HydrophobicContact CE2-CD1 4.18Å; F97-L154 HydrophobicContact CZ-CB 3.82Å; F97-L154 HydrophobicContact CZ-CD1 3.94Å; F97-L154 HydrophobicContact CZ-CG 4.36Å; T150-L154 PolarHBondContact O-N 3.05Å; L151-L154 HydrophobicContact CD1-CD2 4.45Å; L151-L154 WeakPolarHBondContact O-CB 3.43Å; L151-L154 PolarHBondContact O-N 2.79Å; L154-S156 VanDerWaalsContact C-N 3.29Å; L154-S156 PolarHBondContact O-N 3.27Å; L154-L157 HydrophobicContact CD1-CD1 4.07Å; L154-L157 WeakPolarHBondContact O-CB 3.3Å; L154-L157 WeakPolarHBondContact O-CG 3.35Å; L154-L157 PolarHBondContact O-N 2.69Å; L154-L216 HydrophobicContact CD1-CD2 3.52Å; L154-L216 HydrophobicContact CD1-CG 3.98Å; L154-H218 HydrophobicContact CD2-CB 3.94Å; L154-W241 HydrophobicContact CD1-CH2 3.61Å; L154-W241 HydrophobicContact CD1-CZ3 4.04Å; L154-W241 HydrophobicContact CD2-CH2 3.91Å; L154-W241 HydrophobicContact CD2-CZ3 4.26Å; L154-W241 HydrophobicContact CG-CH2 4.43Å |
| 155 | H | 97.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 2% | 0.023 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -76.5 | -13.7 | -178.4 | -60.5 | 164 | 0 | 0 | 0 | 114 | L151 A152 W153 C215 L216 P249 D252 Y291 | L151-H155 WeakPolarHBondContact CD1-CE1 3.5Å; L151-H155 WeakPolarHBondContact CD1-NE2 3.34Å; L151-H155 PolarHBondContact O-N 2.9Å; L151-H155 VanDerWaalsContact O-N 3.07Å; A152-H155 PolarHBondContact O-N 2.98Å; W153-H155 VanDerWaalsContact C-N 3.3Å; W153-H155 PolarHBondContact O-N 2.96Å; H155-C215 HydrophobicContact CB-CB 4.5Å; H155-L216 PolarHBondContact CD2-O 3.03Å; H155-L216 VanDerWaalsContact CD2-O 3.29Å; H155-P249 HydrophobicContact CB-CB 4.03Å; H155-P249 PolarHBondContact CE1-O 2.99Å; H155-P249 WeakPolarHBondContact ND1-CB 3.47Å; H155-D252 IonicContact NE2-OD2 2.8Å; H155-D252 PolarHBondContact NE2-OD2 3.38Å; H155-Y291 AromaticContact ND1-CE2 3.45Å; H155-Y291 WeakPolarHBondContact ND1-CE2 3.38Å; H155-Y291 AromaticContact ND1-CZ 3.55Å; H155-Y291 PolarHBondContact ND1-OH 3.46Å |
| 156 | S | 95.9 | Very high | 92.8 | Very high | 62 Ų | 62 | 58.9 Ų | 58.9 | 43% | 0.434 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -3.5 | 174.1 | -73.6 | 0 | 0 | 0 | 0 | 113.7 | A152 W153 L154 R295 | A152-S156 WeakPolarHBondContact O-CB 3.42Å; A152-S156 PolarHBondContact O-N 2.83Å; A152-S156 PolarHBondContact O-OG 3.13Å; W153-S156 PolarHBondContact O-N 3.02Å; L154-S156 VanDerWaalsContact C-N 3.29Å; L154-S156 PolarHBondContact O-N 3.27Å; S156-R295 VanDerWaalsContact OG-CD 3.27Å; S156-R295 WeakPolarHBondContact OG-CD 3.47Å; S156-R295 PolarHBondContact OG-NE 3.31Å |
| 157 | L | 95.2 | Very high | 92.2 | Very high | 23 Ų | 23 | 59.1 Ų | 59.1 | 12% | 0.12 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -66.2 | 136.5 | 179.2 | -63.4 | -179.4 | 0 | 0 | 0 | 111.6 | L92 I95 F97 W153 L154 I159 L162 L216 | L92-L157 HydrophobicContact CD2-CD1 3.46Å; L92-L157 VanDerWaalsContact CD2-CD1 3.46Å; I95-L157 HydrophobicContact CD1-CD1 3.85Å; I95-L157 HydrophobicContact CD1-CD2 3.51Å; I95-L157 HydrophobicContact CD1-CG 4.27Å; F97-L157 HydrophobicContact CD2-CD1 4.35Å; W153-L157 WeakPolarHBondContact O-CG 3.43Å; W153-L157 PolarHBondContact O-N 3.4Å; L154-L157 HydrophobicContact CD1-CD1 4.07Å; L154-L157 WeakPolarHBondContact O-CB 3.3Å; L154-L157 WeakPolarHBondContact O-CG 3.35Å; L154-L157 PolarHBondContact O-N 2.69Å; L157-I159 PolarHBondContact O-N 2.82Å; L157-L162 HydrophobicContact CD1-CD1 4.48Å; L157-L216 HydrophobicContact CD1-CD2 4.37Å |
| 158 | D | 90.8 | Very high | 91.5 | Very high | 77 Ų | 77 | 60 Ų | 60 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | trans | -71.6 | 100.5 | 169 | 177.4 | 22.6 | 0 | 0 | 0 | 109.7 | R160 S161 | D158-R160 PolarHBondContact O-N 3.14Å; D158-R160 WeakPolarHBondContact OD1-CB 3.45Å; D158-R160 PolarHBondContact OD1-N 2.89Å; D158-R160 IonicContact OD1-NE 3.24Å; D158-R160 PolarHBondContact OD1-NE 3.44Å; D158-R160 IonicContact OD1-NH2 3.85Å; D158-S161 WeakPolarHBondContact O-CB 3.42Å; D158-S161 PolarHBondContact O-N 3.46Å; D158-S161 PolarHBondContact O-OG 3.12Å | ||
| 159 | I | 88.4 | Confident | 90.8 | Very high | 32 Ų | 32 | 65 Ų | 65 | 16% | 0.164 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.6 | -178.3 | 61.3 | 172.4 | 0 | 0 | 0 | 113.2 | L157 L162 E214 L216 F246 | L157-I159 PolarHBondContact O-N 2.82Å; I159-L162 PolarHBondContact O-N 3.38Å; I159-E214 HydrophobicContact CD1-CG 4.07Å; I159-L216 HydrophobicContact CG2-CB 4.2Å; I159-F246 HydrophobicContact CB-CD1 4.49Å; I159-F246 HydrophobicContact CB-CE1 3.97Å; I159-F246 HydrophobicContact CB-CZ 4.08Å; I159-F246 HydrophobicContact CG2-CD1 4.17Å; I159-F246 HydrophobicContact CG2-CE1 3.95Å |
| 160 | R | 86.1 | Confident | 89.7 | Confident | 205 Ų | 205 | 62.5 Ų | 62.5 | 77% | 0.774 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -35.6 | 177.1 | -64.8 | 175.4 | -69.9 | -173.2 | -3.5 | 111.7 | D158 L162 K163 | D158-R160 PolarHBondContact O-N 3.14Å; D158-R160 WeakPolarHBondContact OD1-CB 3.45Å; D158-R160 PolarHBondContact OD1-N 2.89Å; D158-R160 IonicContact OD1-NE 3.24Å; D158-R160 PolarHBondContact OD1-NE 3.44Å; D158-R160 IonicContact OD1-NH2 3.85Å; R160-L162 PolarHBondContact O-N 3.37Å; R160-K163 PolarHBondContact O-N 3.29Å |
| 161 | S | 87.5 | Confident | 88.9 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 47% | 0.469 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -25.7 | 177.9 | 75.9 | 0 | 0 | 0 | 0 | 113 | D158 K163 | D158-S161 WeakPolarHBondContact O-CB 3.42Å; D158-S161 PolarHBondContact O-N 3.46Å; D158-S161 PolarHBondContact O-OG 3.12Å; S161-K163 PolarHBondContact O-N 3.24Å |
| 162 | L | 87.8 | Confident | 88.4 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -12.9 | -178.1 | -61 | 179.7 | 0 | 0 | 0 | 113.8 | A91 I95 L157 I159 R160 L164 L216 | A91-L162 HydrophobicContact CB-CB 4.41Å; A91-L162 HydrophobicContact CB-CD2 4.4Å; I95-L162 HydrophobicContact CD1-CD2 3.82Å; I95-L162 HydrophobicContact CG1-CD2 4.48Å; L157-L162 HydrophobicContact CD1-CD1 4.48Å; I159-L162 PolarHBondContact O-N 3.38Å; R160-L162 PolarHBondContact O-N 3.37Å; L162-L164 HydrophobicContact CB-CD1 3.78Å; L162-L164 HydrophobicContact CB-CG 3.91Å; L162-L164 HydrophobicContact CD1-CD1 4.02Å; L162-L164 PolarHBondContact O-N 3.42Å; L162-L216 HydrophobicContact CD1-CD2 4Å |
| 163 | K | 87.8 | Confident | 88 | Confident | 181 Ų | 181 | 68.8 Ų | 68.8 | 79% | 0.787 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 37.5 | -179.4 | -58.6 | 179.3 | -178.6 | 177.4 | 0 | 113.4 | R160 S161 D165 | R160-K163 PolarHBondContact O-N 3.29Å; S161-K163 PolarHBondContact O-N 3.24Å; K163-D165 PolarHBondContact O-N 3.07Å |
| 164 | L | 86.6 | Confident | 87.8 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | trans | -96.3 | 66.8 | 179.6 | -65.1 | 170.2 | 0 | 0 | 0 | 110.4 | K87 I88 A91 L162 K166 Y167 F246 | K87-L164 HydrophobicContact CB-CD2 4.48Å; I88-L164 HydrophobicContact CD1-CD1 3.37Å; A91-L164 HydrophobicContact CB-CD1 4.41Å; A91-L164 HydrophobicContact CB-CD2 4.15Å; A91-L164 HydrophobicContact CB-CG 4.34Å; L162-L164 HydrophobicContact CB-CD1 3.78Å; L162-L164 HydrophobicContact CB-CG 3.91Å; L162-L164 HydrophobicContact CD1-CD1 4.02Å; L162-L164 PolarHBondContact O-N 3.42Å; L164-K166 PolarHBondContact O-N 3.12Å; L164-Y167 HydrophobicContact CB-CD2 4.33Å; L164-Y167 HydrophobicContact CB-CG 4.18Å; L164-Y167 HydrophobicContact CD1-CG 4.5Å; L164-Y167 HydrophobicContact CD2-CD2 4.4Å; L164-Y167 VanDerWaalsContact O-CB 3.26Å; L164-Y167 WeakPolarHBondContact O-CB 2.93Å; L164-Y167 PolarHBondContact O-N 3.27Å; L164-F246 HydrophobicContact CB-CZ 3.89Å; L164-F246 HydrophobicContact CD1-CE1 4.41Å; L164-F246 HydrophobicContact CD1-CZ 4.43Å | ||
| 165 | D | 79.4 | Confident | 87.6 | Confident | 148 Ų | 148 | 69.7 Ų | 69.7 | 79% | 0.791 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 132.8 | -178.5 | -65.5 | -38 | 0 | 0 | 0 | 111.6 | K163 Y167 | K163-D165 PolarHBondContact O-N 3.07Å; D165-Y167 PolarHBondContact O-N 3.41Å |
| 166 | K | 81.6 | Confident | 87.4 | Confident | 210 Ų | 210 | 72.8 Ų | 72.8 | 91% | 0.913 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 27 | 179 | -53.8 | 176.2 | -179 | 175 | 0 | 113.8 | L164 | L164-K166 PolarHBondContact O-N 3.12Š|
| 167 | Y | 86.6 | Confident | 87.4 | Confident | 18 Ų | 18 | 71.5 Ų | 71.5 | 7% | 0.071 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -70.1 | -35.3 | 176.8 | -163.5 | -103.8 | 0 | 0 | 0 | 112.7 | R84 I88 L164 D165 L216 S244 F246 | R84-Y167 HydrophobicContact CG-CD2 3.93Å; R84-Y167 HydrophobicContact CG-CE2 3.22Å; R84-Y167 PolarHBondContact NH2-O 3.11Å; I88-Y167 HydrophobicContact CB-CE2 4.12Å; I88-Y167 WeakPolarHBondContact CB-OH 3.36Å; I88-Y167 WeakPolarHBondContact CG2-OH 3.49Å; L164-Y167 HydrophobicContact CB-CD2 4.33Å; L164-Y167 HydrophobicContact CB-CG 4.18Å; L164-Y167 HydrophobicContact CD1-CG 4.5Å; L164-Y167 HydrophobicContact CD2-CD2 4.4Å; L164-Y167 VanDerWaalsContact O-CB 3.26Å; L164-Y167 WeakPolarHBondContact O-CB 2.93Å; L164-Y167 PolarHBondContact O-N 3.27Å; D165-Y167 PolarHBondContact O-N 3.41Å; Y167-L216 HydrophobicContact CD1-CD1 4.36Å; Y167-L216 HydrophobicContact CE1-CD1 3.91Å; Y167-S244 PolarHBondContact OH-OG 2.96Å; Y167-F246 HydrophobicContact CD1-CD1 4.02Å; Y167-F246 AromaticContact CD1-CE1 3.94Å; Y167-F246 HydrophobicContact CD1-CE1 3.94Å; Y167-F246 HydrophobicContact CD1-CG 4.46Å; Y167-F246 HydrophobicContact CD1-CZ 4.32Å; Y167-F246 HydrophobicContact CG-CE1 4.45Å; Y167-F246 HydrophobicContact CG-CZ 4.4Å |
| 168 | G | 83.7 | Confident | 87.4 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -119.1 | -174.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 169 | T | 81.5 | Confident | 87.7 | Confident | 104 Ų | 104 | 68.5 Ų | 68.5 | 64% | 0.638 | 35% | 0.349 | S | S | * | . | trans | -116.8 | 18.2 | -177.3 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | R176 | T169-R176 PolarHBondContact OG1-NE 3.43Å; T169-R176 PolarHBondContact OG1-NH2 3.49Å | ||
| 170 | G | 75.6 | Confident | 87.9 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 25% | 0.247 | 36% | 0.359 | C | S | . | . | trans | 73.7 | -159.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R176 E214 | G170-R176 PolarHBondContact O-NH1 3Å; G170-R176 PolarHBondContact O-NH2 3.36Å; G170-E214 WeakPolarHBondContact CA-OE1 3.35Å; G170-E214 PolarHBondContact N-OE1 3.4Å | ||
| 171 | V | 81.3 | Confident | 88.4 | Confident | 108 Ų | 108 | 61.5 Ų | 61.5 | 66% | 0.655 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -50.9 | 150.7 | -179.9 | -60.7 | 0 | 0 | 0 | 0 | 114.3 | R176 | V171-R176 PolarHBondContact O-NH1 3.44Š|
| 172 | G | 87.9 | Confident | 88.8 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 24% | 0.237 | 31% | 0.311 | C | S | . | . | trans | 87.4 | 29.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | R176 D211 | G172-R176 WeakPolarHBondContact O-CG 3.39Å; G172-R176 PolarHBondContact O-N 2.75Å; G172-R176 PolarHBondContact O-NH1 3.49Å; G172-D211 WeakPolarHBondContact CA-OD2 3.41Å; G172-D211 PolarHBondContact N-O 3.22Å; G172-D211 VanDerWaalsContact N-O 3.13Å | ||
| 173 | Y | 91.3 | Very high | 89.1 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 4% | 0.043 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61 | -49.6 | -178 | 175.5 | -97.7 | 0 | 0 | 0 | 112.3 | K175 R176 Q177 D211 T245 G247 H248 T251 | Y173-K175 PolarHBondContact O-N 3.25Å; Y173-R176 PolarHBondContact O-N 2.9Å; Y173-Q177 HydrophobicContact CD1-CG 4.04Å; Y173-Q177 HydrophobicContact CD2-CG 4.41Å; Y173-Q177 HydrophobicContact CE1-CG 3.6Å; Y173-Q177 HydrophobicContact CE2-CG 3.99Å; Y173-Q177 HydrophobicContact CG-CG 4.42Å; Y173-Q177 WeakPolarHBondContact O-CG 3.48Å; Y173-Q177 PolarHBondContact O-N 2.76Å; Y173-D211 PolarHBondContact N-OD1 2.94Å; Y173-D211 PolarHBondContact N-OD2 3.27Å; Y173-T245 HydrophobicContact CE2-CG2 3.73Å; Y173-G247 VanDerWaalsContact CG-CA 3.48Å; Y173-H248 HydrophobicContact CD1-CB 3.72Å; Y173-H248 VanDerWaalsContact CD1-N 3.27Å; Y173-H248 HydrophobicContact CE1-CB 4.29Å; Y173-T251 HydrophobicContact CD1-CG2 4.49Å; Y173-T251 HydrophobicContact CE1-CG2 3.69Å |
| 174 | C | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.1 | -47.9 | -178.4 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | R176 Q177 V178 L207 D211 F306 | C174-R176 VanDerWaalsContact C-N 3.29Å; C174-R176 PolarHBondContact O-N 3.11Å; C174-Q177 PolarHBondContact O-N 3.07Å; C174-Q177 VanDerWaalsContact O-N 3.15Å; C174-V178 WeakPolarHBondContact O-CG2 3.32Å; C174-V178 PolarHBondContact O-N 2.98Å; C174-L207 HydrophobicContact CB-CD2 4.37Å; C174-D211 WeakPolarHBondContact CB-OD2 3.41Å; C174-D211 VanDerWaalsContact N-CG 3.34Å; C174-D211 PolarHBondContact N-OD1 3.37Å; C174-D211 PolarHBondContact N-OD2 3.46Å; C174-D211 PolarHBondContact SG-OD1 3.01Å; C174-F306 HydrophobicContact CB-CE1 3.75Å; C174-F306 HydrophobicContact CB-CZ 3.87Å |
| 175 | K | 94.2 | Very high | 89.7 | Confident | 116 Ų | 116 | 61 Ų | 61 | 50% | 0.504 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 177.8 | -175.3 | 174.6 | -179 | 176.1 | 0 | 112.2 | Y173 S179 M204 L207 D211 | Y173-K175 PolarHBondContact O-N 3.25Å; K175-S179 WeakPolarHBondContact O-CB 3.4Å; K175-S179 PolarHBondContact O-N 3.27Å; K175-S179 PolarHBondContact O-OG 3.13Å; K175-M204 HydrophobicContact CG-CE 4.44Å; K175-L207 HydrophobicContact CB-CD1 3.9Å; K175-L207 HydrophobicContact CB-CD2 4.14Å; K175-L207 HydrophobicContact CD-CD1 4.11Å; K175-L207 HydrophobicContact CG-CD1 3.9Å; K175-D211 PolarHBondContact N-OD2 3.06Å |
| 176 | R | 93.4 | Very high | 90.4 | Very high | 70 Ų | 70 | 59.6 Ų | 59.6 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 176.1 | -74.9 | -169.3 | -53.7 | -91.1 | 0.7 | 112.3 | T169 G170 V171 G172 Y173 C174 S179 T180 | T169-R176 PolarHBondContact OG1-NE 3.43Å; T169-R176 PolarHBondContact OG1-NH2 3.49Å; G170-R176 PolarHBondContact O-NH1 3Å; G170-R176 PolarHBondContact O-NH2 3.36Å; V171-R176 PolarHBondContact O-NH1 3.44Å; G172-R176 WeakPolarHBondContact O-CG 3.39Å; G172-R176 PolarHBondContact O-N 2.75Å; G172-R176 PolarHBondContact O-NH1 3.49Å; Y173-R176 PolarHBondContact O-N 2.9Å; C174-R176 VanDerWaalsContact C-N 3.29Å; C174-R176 PolarHBondContact O-N 3.11Å; R176-S179 PolarHBondContact O-N 2.78Å; R176-T180 WeakPolarHBondContact O-CB 3.48Å; R176-T180 PolarHBondContact O-N 3.35Å; R176-T180 PolarHBondContact O-OG1 3.5Å |
| 177 | Q | 93.9 | Very high | 90.9 | Very high | 35 Ų | 35 | 53.4 Ų | 53.4 | 16% | 0.164 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.3 | -53.7 | 176.1 | -73.6 | -60.1 | -55 | 0 | 0 | 110 | Y173 C174 S179 T180 W181 L310 | Y173-Q177 HydrophobicContact CD1-CG 4.04Å; Y173-Q177 HydrophobicContact CD2-CG 4.41Å; Y173-Q177 HydrophobicContact CE1-CG 3.6Å; Y173-Q177 HydrophobicContact CE2-CG 3.99Å; Y173-Q177 HydrophobicContact CG-CG 4.42Å; Y173-Q177 WeakPolarHBondContact O-CG 3.48Å; Y173-Q177 PolarHBondContact O-N 2.76Å; C174-Q177 PolarHBondContact O-N 3.07Å; C174-Q177 VanDerWaalsContact O-N 3.15Å; Q177-S179 PolarHBondContact O-N 3.25Å; Q177-T180 PolarHBondContact O-N 2.68Å; Q177-W181 PolarHBondContact O-N 2.97Å; Q177-L310 HydrophobicContact CB-CD1 4.18Å; Q177-L310 HydrophobicContact CB-CD2 4.14Å |
| 178 | V | 96.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.6 | -52.4 | 179.1 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | C174 T180 W181 T182 L203 M204 L207 F306 L310 | C174-V178 WeakPolarHBondContact O-CG2 3.32Å; C174-V178 PolarHBondContact O-N 2.98Å; V178-T180 VanDerWaalsContact C-N 3.28Å; V178-T180 PolarHBondContact O-N 3.3Å; V178-W181 PolarHBondContact O-N 3.34Å; V178-T182 WeakPolarHBondContact O-CB 3.46Å; V178-T182 PolarHBondContact O-N 3.47Å; V178-T182 PolarHBondContact O-OG1 2.67Å; V178-L203 HydrophobicContact CB-CB 4.47Å; V178-L203 HydrophobicContact CG1-CB 3.69Å; V178-L203 HydrophobicContact CG2-CB 3.82Å; V178-M204 HydrophobicContact CB-CG 4.49Å; V178-M204 HydrophobicContact CB-SD 3.74Å; V178-M204 HydrophobicContact CG1-CG 3.53Å; V178-M204 HydrophobicContact CG1-SD 3.41Å; V178-M204 WeakPolarHBondContact CG1-SD 3.4Å; V178-L207 HydrophobicContact CG2-CD2 4.28Å; V178-F306 HydrophobicContact CG2-CE2 4.23Å; V178-F306 HydrophobicContact CG2-CZ 3.96Å; V178-L310 HydrophobicContact CG2-CD1 3.88Å |
| 179 | S | 96.3 | Very high | 91.4 | Very high | 38 Ų | 38 | 53.9 Ų | 53.9 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.3 | -37.2 | -179.1 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | K175 R176 Q177 K183 | K175-S179 WeakPolarHBondContact O-CB 3.4Å; K175-S179 PolarHBondContact O-N 3.27Å; K175-S179 PolarHBondContact O-OG 3.13Å; R176-S179 PolarHBondContact O-N 2.78Å; Q177-S179 PolarHBondContact O-N 3.25Å; S179-K183 WeakPolarHBondContact O-CG 3.24Å; S179-K183 PolarHBondContact O-N 3.01Å |
| 180 | T | 93.9 | Very high | 91.7 | Very high | 61 Ų | 61 | 52.1 Ų | 52.1 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.2 | -48.9 | -179.5 | -60 | 0 | 0 | 0 | 0 | 110.6 | R176 Q177 V178 T182 K183 Q184 | R176-T180 WeakPolarHBondContact O-CB 3.48Å; R176-T180 PolarHBondContact O-N 3.35Å; R176-T180 PolarHBondContact O-OG1 3.5Å; Q177-T180 PolarHBondContact O-N 2.68Å; V178-T180 VanDerWaalsContact C-N 3.28Å; V178-T180 PolarHBondContact O-N 3.3Å; T180-T182 PolarHBondContact O-N 3.09Å; T180-K183 PolarHBondContact O-N 2.96Å; T180-Q184 HydrophobicContact CG2-CG 4.46Å; T180-Q184 WeakPolarHBondContact O-CB 3.41Å; T180-Q184 WeakPolarHBondContact O-CG 3.04Å; T180-Q184 PolarHBondContact O-N 2.72Å |
| 181 | W | 94.9 | Very high | 92.4 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 11% | 0.106 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68 | -34.5 | -179.4 | -69.4 | 114.9 | 0 | 0 | 0 | 112.3 | Q177 V178 Q184 Y185 F313 K314 I318 | Q177-W181 PolarHBondContact O-N 2.97Å; V178-W181 PolarHBondContact O-N 3.34Å; W181-Q184 PolarHBondContact O-N 2.91Å; W181-Y185 VanDerWaalsContact O-CB 3.28Å; W181-Y185 WeakPolarHBondContact O-CB 3.28Å; W181-Y185 PolarHBondContact O-N 3.09Å; W181-F313 HydrophobicContact CB-CD1 3.84Å; W181-F313 HydrophobicContact CB-CE1 3.49Å; W181-F313 VanDerWaalsContact CB-CE1 3.49Å; W181-F313 HydrophobicContact CB-CZ 4.36Å; W181-K314 HydrophobicContact CD2-CB 4.27Å; W181-K314 HydrophobicContact CD2-CG 4.07Å; W181-K314 HydrophobicContact CG-CB 4.38Å; W181-K314 HydrophobicContact CH2-CG 4.16Å; W181-K314 HydrophobicContact CZ2-CD 3.82Å; W181-K314 HydrophobicContact CZ2-CG 3.59Å; W181-I318 HydrophobicContact CH2-CD1 3.85Å; W181-I318 HydrophobicContact CH2-CG1 3.43Å; W181-I318 VanDerWaalsContact CH2-CG1 3.43Å; W181-I318 HydrophobicContact CZ2-CD1 4.46Å; W181-I318 HydrophobicContact CZ2-CG1 4.43Å; W181-I318 HydrophobicContact CZ3-CD1 4.33Å; W181-I318 HydrophobicContact CZ3-CG1 3.47Å; W181-I318 VanDerWaalsContact CZ3-CG1 3.47Å |
| 182 | T | 96.6 | Very high | 92.9 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.6 | -50.6 | 170.5 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | V178 T180 Q184 Y185 Q186 S200 | V178-T182 WeakPolarHBondContact O-CB 3.46Å; V178-T182 PolarHBondContact O-N 3.47Å; V178-T182 PolarHBondContact O-OG1 2.67Å; T180-T182 PolarHBondContact O-N 3.09Å; T182-Q184 PolarHBondContact O-N 2.96Å; T182-Y185 PolarHBondContact O-N 3.38Å; T182-Q186 WeakPolarHBondContact O-CB 3.5Å; T182-Q186 VanDerWaalsContact O-CG 3.26Å; T182-Q186 WeakPolarHBondContact O-CG 3.39Å; T182-Q186 PolarHBondContact O-N 3.4Å; T182-S200 VanDerWaalsContact CG2-OG 3.3Å; T182-S200 WeakPolarHBondContact CG2-OG 3.39Å; T182-S200 PolarHBondContact OG1-OG 3.23Å |
| 183 | K | 95.3 | Very high | 93.3 | Very high | 146 Ų | 146 | 54.2 Ų | 54.2 | 64% | 0.635 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 179.2 | -73.3 | 175.9 | -178.1 | -178.9 | 0 | 112.1 | S179 T180 Q186 A187 | S179-K183 WeakPolarHBondContact O-CG 3.24Å; S179-K183 PolarHBondContact O-N 3.01Å; T180-K183 PolarHBondContact O-N 2.96Å; K183-Q186 PolarHBondContact O-N 2.98Å; K183-A187 WeakPolarHBondContact O-CB 3.41Å; K183-A187 PolarHBondContact O-N 3.06Å |
| 184 | Q | 91.5 | Very high | 93.6 | Very high | 94 Ų | 94 | 57.4 Ų | 57.4 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 178.8 | -75.4 | -175.2 | -3.9 | 0 | 0 | 112.1 | T180 W181 T182 A187 S188 | T180-Q184 HydrophobicContact CG2-CG 4.46Å; T180-Q184 WeakPolarHBondContact O-CB 3.41Å; T180-Q184 WeakPolarHBondContact O-CG 3.04Å; T180-Q184 PolarHBondContact O-N 2.72Å; W181-Q184 PolarHBondContact O-N 2.91Å; T182-Q184 PolarHBondContact O-N 2.96Å; Q184-A187 PolarHBondContact O-N 2.7Å; Q184-S188 WeakPolarHBondContact O-CB 3.37Å; Q184-S188 PolarHBondContact O-N 3.41Å; Q184-S188 PolarHBondContact O-OG 2.72Å |
| 185 | Y | 94.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.2 | -51.7 | 174.4 | 173.7 | -104.5 | 0 | 0 | 0 | 110.8 | W181 T182 A187 S188 A189 I193 M196 Q320 V343 | W181-Y185 VanDerWaalsContact O-CB 3.28Å; W181-Y185 WeakPolarHBondContact O-CB 3.28Å; W181-Y185 PolarHBondContact O-N 3.09Å; T182-Y185 PolarHBondContact O-N 3.38Å; Y185-A187 VanDerWaalsContact C-N 3.28Å; Y185-A187 PolarHBondContact O-N 3.18Å; Y185-S188 CarbonylContact O-C 3.51Å; Y185-S188 PolarHBondContact O-N 3.48Å; Y185-S188 PolarHBondContact O-OG 2.82Å; Y185-A189 HydrophobicContact CE1-CB 4.32Å; Y185-A189 HydrophobicContact CE2-CB 4.43Å; Y185-A189 WeakPolarHBondContact O-CB 3.42Å; Y185-A189 PolarHBondContact O-N 2.79Å; Y185-I193 WeakPolarHBondContact OH-CB 3.49Å; Y185-M196 HydrophobicContact CD1-CB 4.23Å; Y185-M196 HydrophobicContact CD1-CE 4.05Å; Y185-M196 HydrophobicContact CD2-CE 3.39Å; Y185-M196 HydrophobicContact CD2-CG 4.33Å; Y185-M196 HydrophobicContact CE1-CB 3.61Å; Y185-M196 HydrophobicContact CE1-CE 4.44Å; Y185-M196 HydrophobicContact CE1-CG 4.17Å; Y185-M196 HydrophobicContact CE2-CB 4.15Å; Y185-M196 HydrophobicContact CE2-CE 3.84Å; Y185-M196 HydrophobicContact CE2-CG 3.77Å; Y185-M196 HydrophobicContact CG-CE 3.51Å; Y185-Q320 HydrophobicContact CD2-CB 3.94Å; Y185-Q320 HydrophobicContact CD2-CG 3.74Å; Y185-Q320 HydrophobicContact CE2-CB 4.2Å; Y185-Q320 HydrophobicContact CE2-CG 3.81Å; Y185-V343 HydrophobicContact CE2-CG1 4.21Å |
| 186 | Q | 94.1 | Very high | 93.9 | Very high | 119 Ų | 119 | 52.3 Ų | 52.3 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -56.9 | -39.6 | 179.2 | -73.4 | 172.2 | -18.1 | 0 | 0 | 113 | T182 K183 S188 | T182-Q186 WeakPolarHBondContact O-CB 3.5Å; T182-Q186 VanDerWaalsContact O-CG 3.26Å; T182-Q186 WeakPolarHBondContact O-CG 3.39Å; T182-Q186 PolarHBondContact O-N 3.4Å; K183-Q186 PolarHBondContact O-N 2.98Å; Q186-S188 VanDerWaalsContact C-N 3.28Å; Q186-S188 PolarHBondContact O-N 3.17Å |
| 187 | A | 91.4 | Very high | 94 | Very high | 80 Ų | 80 | 52.6 Ų | 52.6 | 66% | 0.661 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -70.9 | -21.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K183 Q184 Y185 | K183-A187 WeakPolarHBondContact O-CB 3.41Å; K183-A187 PolarHBondContact O-N 3.06Å; Q184-A187 PolarHBondContact O-N 2.7Å; Y185-A187 VanDerWaalsContact C-N 3.28Å; Y185-A187 PolarHBondContact O-N 3.18Å |
| 188 | S | 90.8 | Very high | 94.2 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -109.4 | -11.3 | -176.8 | 58.6 | 0 | 0 | 0 | 0 | 114 | Q184 Y185 Q186 Q320 | Q184-S188 WeakPolarHBondContact O-CB 3.37Å; Q184-S188 PolarHBondContact O-N 3.41Å; Q184-S188 PolarHBondContact O-OG 2.72Å; Y185-S188 CarbonylContact O-C 3.51Å; Y185-S188 PolarHBondContact O-N 3.48Å; Y185-S188 PolarHBondContact O-OG 2.82Å; Q186-S188 VanDerWaalsContact C-N 3.28Å; Q186-S188 PolarHBondContact O-N 3.17Å; S188-Q320 PolarHBondContact O-NE2 3.47Å; S188-Q320 WeakPolarHBondContact OG-CG 3.42Å |
| 189 | A | 90.8 | Very high | 94.3 | Very high | 34 Ų | 34 | 55.5 Ų | 55.5 | 28% | 0.281 | 31% | 0.307 | S | S | . | . | trans | -61.2 | 137.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y185 | Y185-A189 HydrophobicContact CE1-CB 4.32Å; Y185-A189 HydrophobicContact CE2-CB 4.43Å; Y185-A189 WeakPolarHBondContact O-CB 3.42Å; Y185-A189 PolarHBondContact O-N 2.79Å | ||
| 190 | H | 87.1 | Confident | 94.3 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -119.1 | -16.5 | 178.2 | 65.3 | -71.1 | 0 | 0 | 0 | 111.7 | Q320 Y323 L327 | H190-Q320 PolarHBondContact ND1-NE2 3.33Å; H190-Y323 AromaticContact CD2-CE1 3.78Å; H190-Y323 AromaticContact CE1-CD1 3.47Å; H190-Y323 VanDerWaalsContact CE1-CD1 3.47Å; H190-Y323 WeakPolarHBondContact CE1-CD1 3.42Å; H190-Y323 AromaticContact CE1-CE1 3.36Å; H190-Y323 WeakPolarHBondContact CE1-CE1 3.48Å; H190-Y323 AromaticContact CG-CE1 4Å; H190-Y323 AromaticContact ND1-CD1 3.7Å; H190-Y323 AromaticContact ND1-CE1 3.75Å; H190-Y323 AromaticContact NE2-CD1 3.98Å; H190-Y323 AromaticContact NE2-CE1 3.37Å; H190-Y323 WeakPolarHBondContact NE2-CE1 3.23Å; H190-L327 HydrophobicContact CB-CD1 4.03Å |
| 191 | Q | 91.1 | Very high | 94.5 | Very high | 103 Ų | 103 | 56.1 Ų | 56.1 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -143.5 | 162.7 | 174.9 | 69.4 | -176.9 | 10.5 | 0 | 0 | 109.2 | I193 | Q191-I193 HydrophobicContact CG-CG1 4.22Š|
| 192 | S | 92.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 57.4 Ų | 57.4 | 66% | 0.657 | 32% | 0.315 | S | S | * | . | trans | -76.8 | 131.4 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 193 | I | 95.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | trans | -126 | 94.8 | 171.5 | -56.8 | 176 | 0 | 0 | 0 | 106.4 | Y185 Q191 A195 M196 V343 Q344 | Y185-I193 WeakPolarHBondContact OH-CB 3.49Å; Q191-I193 HydrophobicContact CG-CG1 4.22Å; I193-A195 HydrophobicContact CG2-CB 4.37Å; I193-A195 PolarHBondContact O-N 3.33Å; I193-M196 HydrophobicContact CB-CB 4.41Å; I193-M196 HydrophobicContact CB-CG 4.33Å; I193-M196 HydrophobicContact CG2-CB 4.48Å; I193-M196 HydrophobicContact CG2-CG 4.16Å; I193-M196 WeakPolarHBondContact O-CB 3.41Å; I193-M196 PolarHBondContact O-N 3.46Å; I193-V343 HydrophobicContact CD1-CB 3.92Å; I193-V343 HydrophobicContact CD1-CG1 3.5Å; I193-Q344 HydrophobicContact CD1-CB 4.48Å; I193-Q344 HydrophobicContact CG2-CB 3.98Å; I193-Q344 HydrophobicContact CG2-CG 4.15Å | ||
| 194 | P | 97 | Very high | 94.8 | Very high | 77 Ų | 77 | 53 Ų | 53 | 50% | 0.5 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55.1 | -30.4 | -173.8 | -29.4 | 35.7 | 0 | 0 | 0 | 114.2 | M196 D197 Q198 | P194-M196 VanDerWaalsContact C-N 3.35Å; P194-M196 PolarHBondContact O-N 3.24Å; P194-D197 PolarHBondContact O-N 3.01Å; P194-Q198 WeakPolarHBondContact O-CB 3.38Å; P194-Q198 VanDerWaalsContact O-CG 3.28Å; P194-Q198 WeakPolarHBondContact O-CG 3.42Å; P194-Q198 PolarHBondContact O-N 2.92Å; P194-Q198 PolarHBondContact O-NE2 3.5Å |
| 195 | A | 97 | Very high | 95 | Very high | 10 Ų | 10 | 57 Ų | 57 | 8% | 0.083 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I193 L199 A347 E348 L351 | I193-A195 HydrophobicContact CG2-CB 4.37Å; I193-A195 PolarHBondContact O-N 3.33Å; A195-L199 WeakPolarHBondContact O-CB 3.29Å; A195-L199 PolarHBondContact O-N 3.19Å; A195-A347 HydrophobicContact CB-CB 3.87Å; A195-E348 HydrophobicContact CB-CG 3.74Å; A195-L351 HydrophobicContact CB-CD2 4.46Å |
| 196 | M | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 177.2 | -80.6 | -63.2 | -77.6 | 0 | 0 | 111.8 | Y185 I193 P194 L199 S200 F313 A316 V343 A347 | Y185-M196 HydrophobicContact CD1-CB 4.23Å; Y185-M196 HydrophobicContact CD1-CE 4.05Å; Y185-M196 HydrophobicContact CD2-CE 3.39Å; Y185-M196 HydrophobicContact CD2-CG 4.33Å; Y185-M196 HydrophobicContact CE1-CB 3.61Å; Y185-M196 HydrophobicContact CE1-CE 4.44Å; Y185-M196 HydrophobicContact CE1-CG 4.17Å; Y185-M196 HydrophobicContact CE2-CB 4.15Å; Y185-M196 HydrophobicContact CE2-CE 3.84Å; Y185-M196 HydrophobicContact CE2-CG 3.77Å; Y185-M196 HydrophobicContact CG-CE 3.51Å; I193-M196 HydrophobicContact CB-CB 4.41Å; I193-M196 HydrophobicContact CB-CG 4.33Å; I193-M196 HydrophobicContact CG2-CB 4.48Å; I193-M196 HydrophobicContact CG2-CG 4.16Å; I193-M196 WeakPolarHBondContact O-CB 3.41Å; I193-M196 PolarHBondContact O-N 3.46Å; P194-M196 VanDerWaalsContact C-N 3.35Å; P194-M196 PolarHBondContact O-N 3.24Å; M196-L199 PolarHBondContact O-N 3.44Å; M196-S200 VanDerWaalsContact O-CB 3.3Å; M196-S200 WeakPolarHBondContact O-CB 3.5Å; M196-S200 PolarHBondContact O-N 3.41Å; M196-F313 HydrophobicContact CE-CD2 3.58Å; M196-F313 HydrophobicContact CE-CE2 3.37Å; M196-F313 HydrophobicContact CE-CZ 4.31Å; M196-F313 HydrophobicContact SD-CD2 3.78Å; M196-F313 HydrophobicContact SD-CE2 4Å; M196-A316 HydrophobicContact CE-CB 4.07Å; M196-A316 HydrophobicContact SD-CB 3.56Å; M196-A316 VanDerWaalsContact SD-CB 3.56Å; M196-V343 HydrophobicContact CG-CG1 4.37Å; M196-A347 HydrophobicContact CB-CB 4.5Å; M196-A347 HydrophobicContact CG-CB 3.59Å; M196-A347 HydrophobicContact SD-CB 3.5Å; M196-A347 WeakPolarHBondContact SD-CB 3.47Å |
| 197 | D | 96.6 | Very high | 95.1 | Very high | 75 Ų | 75 | 56 Ų | 56 | 40% | 0.401 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 179.6 | -63.3 | -33.5 | 0 | 0 | 0 | 111.3 | P194 S200 T201 | P194-D197 PolarHBondContact O-N 3.01Å; D197-S200 PolarHBondContact O-N 2.93Å; D197-T201 WeakPolarHBondContact O-CB 3.34Å; D197-T201 PolarHBondContact O-N 3.32Å; D197-T201 PolarHBondContact O-OG1 3.39Å |
| 198 | Q | 98 | Very high | 95 | Very high | 96 Ų | 96 | 52.7 Ų | 52.7 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 175.2 | -73.8 | 176.6 | 54.3 | 0 | 0 | 111.9 | P194 T201 W202 L351 | P194-Q198 WeakPolarHBondContact O-CB 3.38Å; P194-Q198 VanDerWaalsContact O-CG 3.28Å; P194-Q198 WeakPolarHBondContact O-CG 3.42Å; P194-Q198 PolarHBondContact O-N 2.92Å; P194-Q198 PolarHBondContact O-NE2 3.5Å; Q198-T201 PolarHBondContact O-N 3.18Å; Q198-W202 WeakPolarHBondContact O-CB 3.27Å; Q198-W202 PolarHBondContact O-N 3.25Å; Q198-L351 HydrophobicContact CB-CD1 4.16Å; Q198-L351 HydrophobicContact CB-CD2 3.86Å |
| 199 | L | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 178.9 | -175.4 | 55.4 | 0 | 0 | 0 | 111.4 | A195 M196 T201 W202 L203 A309 F313 L351 | A195-L199 WeakPolarHBondContact O-CB 3.29Å; A195-L199 PolarHBondContact O-N 3.19Å; M196-L199 PolarHBondContact O-N 3.44Å; L199-T201 PolarHBondContact O-N 2.91Å; L199-W202 PolarHBondContact O-N 3.42Å; L199-L203 HydrophobicContact CD1-CD1 4.33Å; L199-L203 HydrophobicContact CD1-CG 4.32Å; L199-L203 HydrophobicContact CG-CD1 4.11Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 VanDerWaalsContact O-CG 3.3Å; L199-L203 WeakPolarHBondContact O-CG 3.22Å; L199-L203 PolarHBondContact O-N 3.19Å; L199-A309 HydrophobicContact CD1-CB 3.98Å; L199-F313 HydrophobicContact CB-CD2 4.41Å; L199-F313 HydrophobicContact CD2-CB 3.74Å; L199-F313 HydrophobicContact CD2-CD2 3.99Å; L199-F313 HydrophobicContact CD2-CG 4.32Å; L199-F313 HydrophobicContact CG-CB 4.12Å; L199-F313 HydrophobicContact CG-CD2 4.05Å; L199-F313 HydrophobicContact CG-CG 4.38Å; L199-L351 HydrophobicContact CD1-CB 4.44Å |
| 200 | S | 97.7 | Very high | 93.9 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.4 | -49.1 | 174.5 | 176.8 | 0 | 0 | 0 | 0 | 111.9 | T182 M196 D197 L203 M204 | T182-S200 VanDerWaalsContact CG2-OG 3.3Å; T182-S200 WeakPolarHBondContact CG2-OG 3.39Å; T182-S200 PolarHBondContact OG1-OG 3.23Å; M196-S200 VanDerWaalsContact O-CB 3.3Å; M196-S200 WeakPolarHBondContact O-CB 3.5Å; M196-S200 PolarHBondContact O-N 3.41Å; D197-S200 PolarHBondContact O-N 2.93Å; S200-L203 PolarHBondContact O-N 3.35Å; S200-M204 PolarHBondContact O-N 2.64Å; S200-M204 VanDerWaalsContact O-N 3.08Å |
| 201 | T | 97.9 | Very high | 93.5 | Very high | 99 Ų | 99 | 59.5 Ų | 59.5 | 61% | 0.607 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.7 | -44 | 177.1 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | D197 Q198 L199 M204 K205 | D197-T201 WeakPolarHBondContact O-CB 3.34Å; D197-T201 PolarHBondContact O-N 3.32Å; D197-T201 PolarHBondContact O-OG1 3.39Å; Q198-T201 PolarHBondContact O-N 3.18Å; L199-T201 PolarHBondContact O-N 2.91Å; T201-M204 PolarHBondContact O-N 3.33Å; T201-K205 PolarHBondContact O-N 3.01Å |
| 202 | W | 97.9 | Very high | 92.8 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -46 | 178.6 | -175.9 | 95.5 | 0 | 0 | 0 | 111.4 | Q198 L199 M204 K205 N206 F306 A309 S354 | Q198-W202 WeakPolarHBondContact O-CB 3.27Å; Q198-W202 PolarHBondContact O-N 3.25Å; L199-W202 PolarHBondContact O-N 3.42Å; W202-M204 PolarHBondContact O-N 2.96Å; W202-K205 PolarHBondContact O-N 3.35Å; W202-K205 VanDerWaalsContact O-N 3.13Å; W202-N206 HydrophobicContact CD2-CB 4.29Å; W202-N206 VanDerWaalsContact CE2-ND2 3.33Å; W202-N206 HydrophobicContact CE3-CB 4.32Å; W202-N206 HydrophobicContact CH2-CB 3.92Å; W202-N206 HydrophobicContact CZ2-CB 3.89Å; W202-N206 HydrophobicContact CZ3-CB 4.14Å; W202-N206 PolarHBondContact NE1-ND2 3.01Å; W202-N206 WeakPolarHBondContact O-CB 3.46Å; W202-N206 PolarHBondContact O-N 2.69Å; W202-N206 PolarHBondContact O-ND2 3.49Å; W202-F306 HydrophobicContact CH2-CB 4.41Å; W202-F306 HydrophobicContact CZ3-CB 4.41Å; W202-F306 HydrophobicContact CZ3-CD2 4.25Å; W202-A309 HydrophobicContact CE3-CB 4.46Å; W202-A309 HydrophobicContact CZ3-CB 3.98Å; W202-S354 WeakPolarHBondContact CZ2-O 3.49Å |
| 203 | L | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.5 | -45.8 | 178.8 | -76.6 | 168 | 0 | 0 | 0 | 111.6 | V178 L199 S200 K205 N206 L207 F306 A309 L310 F313 | V178-L203 HydrophobicContact CB-CB 4.47Å; V178-L203 HydrophobicContact CG1-CB 3.69Å; V178-L203 HydrophobicContact CG2-CB 3.82Å; L199-L203 HydrophobicContact CD1-CD1 4.33Å; L199-L203 HydrophobicContact CD1-CG 4.32Å; L199-L203 HydrophobicContact CG-CD1 4.11Å; L199-L203 WeakPolarHBondContact O-CB 3.43Å; L199-L203 VanDerWaalsContact O-CG 3.3Å; L199-L203 WeakPolarHBondContact O-CG 3.22Å; L199-L203 PolarHBondContact O-N 3.19Å; S200-L203 PolarHBondContact O-N 3.35Å; L203-K205 PolarHBondContact O-N 3.37Å; L203-N206 PolarHBondContact O-N 2.88Å; L203-L207 PolarHBondContact O-N 2.87Å; L203-F306 HydrophobicContact CB-CE2 4.25Å; L203-F306 HydrophobicContact CD2-CD2 3.67Å; L203-F306 HydrophobicContact CD2-CE2 3.6Å; L203-F306 HydrophobicContact CD2-CG 4.41Å; L203-F306 HydrophobicContact CD2-CZ 4.28Å; L203-F306 WeakPolarHBondContact O-CE2 3.18Å; L203-A309 HydrophobicContact CD2-CB 3.95Å; L203-L310 HydrophobicContact CD1-CD1 4.34Å; L203-L310 HydrophobicContact CD2-CB 4Å; L203-F313 HydrophobicContact CD1-CB 3.63Å; L203-F313 HydrophobicContact CD1-CD1 3.61Å; L203-F313 HydrophobicContact CD1-CD2 4.36Å; L203-F313 HydrophobicContact CD1-CE1 4.33Å; L203-F313 HydrophobicContact CD1-CG 3.62Å |
| 204 | M | 96.9 | Very high | 91.8 | Very high | 73 Ų | 73 | 60.4 Ų | 60.4 | 36% | 0.36 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.6 | -31.3 | 177.7 | -76 | -58.5 | -63.5 | 0 | 0 | 113.2 | K175 V178 S200 T201 W202 | K175-M204 HydrophobicContact CG-CE 4.44Å; V178-M204 HydrophobicContact CB-CG 4.49Å; V178-M204 HydrophobicContact CB-SD 3.74Å; V178-M204 HydrophobicContact CG1-CG 3.53Å; V178-M204 HydrophobicContact CG1-SD 3.41Å; V178-M204 WeakPolarHBondContact CG1-SD 3.4Å; S200-M204 PolarHBondContact O-N 2.64Å; S200-M204 VanDerWaalsContact O-N 3.08Å; T201-M204 PolarHBondContact O-N 3.33Å; W202-M204 PolarHBondContact O-N 2.96Å |
| 205 | K | 96.3 | Very high | 91.6 | Very high | 178 Ų | 178 | 57 Ų | 57 | 77% | 0.774 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -81.9 | -24 | 179.4 | -173.5 | 176.2 | 177.5 | -177.6 | 0 | 113.4 | T201 W202 L203 | T201-K205 PolarHBondContact O-N 3.01Å; W202-K205 PolarHBondContact O-N 3.35Å; W202-K205 VanDerWaalsContact O-N 3.13Å; L203-K205 PolarHBondContact O-N 3.37Å |
| 206 | N | 95.3 | Very high | 91.5 | Very high | 61 Ų | 61 | 56.5 Ų | 56.5 | 33% | 0.326 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -116.9 | 35.7 | -172.7 | -63.9 | -92.1 | 0 | 0 | 0 | 112.2 | W202 L203 F306 | W202-N206 HydrophobicContact CD2-CB 4.29Å; W202-N206 VanDerWaalsContact CE2-ND2 3.33Å; W202-N206 HydrophobicContact CE3-CB 4.32Å; W202-N206 HydrophobicContact CH2-CB 3.92Å; W202-N206 HydrophobicContact CZ2-CB 3.89Å; W202-N206 HydrophobicContact CZ3-CB 4.14Å; W202-N206 PolarHBondContact NE1-ND2 3.01Å; W202-N206 WeakPolarHBondContact O-CB 3.46Å; W202-N206 PolarHBondContact O-N 2.69Å; W202-N206 PolarHBondContact O-ND2 3.49Å; L203-N206 PolarHBondContact O-N 2.88Å; N206-F306 WeakPolarHBondContact O-CD2 3.27Å |
| 207 | L | 94 | Very high | 91.4 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 24% | 0.236 | 30% | 0.297 | C | S | . | . | trans | -56.3 | 143.1 | 173.2 | -66.9 | 169.8 | 0 | 0 | 0 | 110 | C174 K175 V178 L203 F306 | C174-L207 HydrophobicContact CB-CD2 4.37Å; K175-L207 HydrophobicContact CB-CD1 3.9Å; K175-L207 HydrophobicContact CB-CD2 4.14Å; K175-L207 HydrophobicContact CD-CD1 4.11Å; K175-L207 HydrophobicContact CG-CD1 3.9Å; V178-L207 HydrophobicContact CG2-CD2 4.28Å; L203-L207 PolarHBondContact O-N 2.87Å; L207-F306 HydrophobicContact CD2-CE2 3.94Å; L207-F306 HydrophobicContact CD2-CZ 3.85Å | ||
| 208 | P | 90.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 52.9 Ų | 52.9 | 7% | 0.071 | 28% | 0.278 | C | S | . | . | trans | -56.5 | 143.5 | 175.1 | -23.9 | 33.5 | 0 | 0 | 0 | 111.8 | S210 N303 F306 F307 | P208-S210 PolarHBondContact O-N 2.83Å; P208-N303 HydrophobicContact CB-CB 4.35Å; P208-N303 HydrophobicContact CG-CB 4.33Å; P208-F306 HydrophobicContact CG-CD1 3.63Å; P208-F306 HydrophobicContact CG-CE1 3.84Å; P208-F306 HydrophobicContact CG-CG 4.19Å; P208-F307 HydrophobicContact CG-CE2 4.13Å; P208-F307 HydrophobicContact CG-CZ 3.78Å | ||
| 209 | D | 81.2 | Confident | 91.2 | Very high | 162 Ų | 162 | 48.4 Ų | 48.4 | 87% | 0.866 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -63 | -31.3 | -179.4 | -64.1 | -39.9 | 0 | 0 | 0 | 111.9 | ||
| 210 | S | 77.2 | Confident | 90.9 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | trans | -118.5 | 110 | 171 | -178.3 | 0 | 0 | 0 | 0 | 110 | P208 S212 | P208-S210 PolarHBondContact O-N 2.83Å; S210-S212 PolarHBondContact OG-OG 3.3Å | ||
| 211 | D | 79.8 | Confident | 90.8 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | trans | -112.8 | 41.4 | 171.6 | -170.8 | 18.7 | 0 | 0 | 0 | 109.6 | G172 Y173 C174 K175 | G172-D211 WeakPolarHBondContact CA-OD2 3.41Å; G172-D211 PolarHBondContact N-O 3.22Å; G172-D211 VanDerWaalsContact N-O 3.13Å; Y173-D211 PolarHBondContact N-OD1 2.94Å; Y173-D211 PolarHBondContact N-OD2 3.27Å; C174-D211 WeakPolarHBondContact CB-OD2 3.41Å; C174-D211 VanDerWaalsContact N-CG 3.34Å; C174-D211 PolarHBondContact N-OD1 3.37Å; C174-D211 PolarHBondContact N-OD2 3.46Å; C174-D211 PolarHBondContact SG-OD1 3.01Å; K175-D211 PolarHBondContact N-OD2 3.06Å | ||
| 212 | S | 75.7 | Confident | 90.5 | Very high | 75 Ų | 75 | 46.5 Ų | 46.5 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | trans | -106.5 | -17.8 | -172.8 | 66.7 | 0 | 0 | 0 | 0 | 113.6 | S210 E214 | S210-S212 PolarHBondContact OG-OG 3.3Å; S212-E214 PolarHBondContact O-N 3.41Å | ||
| 213 | E | 82.1 | Confident | 90.1 | Very high | 74 Ų | 74 | 44 Ų | 44 | 35% | 0.346 | 23% | 0.23 | S | C | . | . | trans | -66.9 | 122.4 | 174.6 | -167.3 | 176.4 | -177.5 | 0 | 0 | 109.7 | P249 R295 | E213-P249 HydrophobicContact CG-CG 4.03Å; E213-P249 WeakPolarHBondContact OE1-CG 3.47Å; E213-P249 WeakPolarHBondContact OE2-CG 3.47Å; E213-R295 IonicContact OE1-CZ 2.72Å; E213-R295 IonicContact OE1-NH1 3.93Å; E213-R295 IonicContact OE1-NH2 3.8Å; E213-R295 PolarHBondContact OE1-NH2 3.22Å | ||
| 214 | E | 84.9 | Confident | 89.7 | Confident | 68 Ų | 68 | 46.1 Ų | 46.1 | 32% | 0.318 | 24% | 0.242 | S | C | . | . | trans | -125.1 | 108.5 | 178.9 | -173.2 | 170.9 | -146.7 | 0 | 0 | 108.7 | I159 G170 S212 F246 | I159-E214 HydrophobicContact CD1-CG 4.07Å; G170-E214 WeakPolarHBondContact CA-OE1 3.35Å; G170-E214 PolarHBondContact N-OE1 3.4Å; S212-E214 PolarHBondContact O-N 3.41Å; E214-F246 HydrophobicContact CG-CB 3.61Å; E214-F246 HydrophobicContact CG-CG 4.46Å; E214-F246 VanDerWaalsContact OE1-CB 3.22Å; E214-F246 WeakPolarHBondContact OE1-CB 3.4Å | ||
| 215 | C | 91.9 | Very high | 89.6 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.034 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 170.2 | 172.4 | 72.8 | 0 | 0 | 0 | 0 | 109.4 | H155 V217 F246 G247 P249 | H155-C215 HydrophobicContact CB-CB 4.5Å; C215-V217 PolarHBondContact O-N 2.99Å; C215-F246 CarbonylContact O-C 3.57Å; C215-F246 VanDerWaalsContact O-CA 3.26Å; C215-F246 WeakPolarHBondContact O-CA 3.49Å; C215-G247 PolarHBondContact N-O 3.35Å; C215-G247 PolarHBondContact O-N 3.19Å; C215-G247 PolarHBondContact SG-O 3.33Å; C215-P249 WeakPolarHBondContact SG-CB 3.26Å; C215-P249 VanDerWaalsContact SG-CD 3.53Å |
| 216 | L | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 114.9 | 168.9 | 175.4 | 65.7 | 0 | 0 | 0 | 109.4 | I88 L92 L154 H155 L157 I159 L162 Y167 W241 F246 | I88-L216 HydrophobicContact CD1-CD1 3.81Å; I88-L216 HydrophobicContact CD1-CD2 3.56Å; I88-L216 HydrophobicContact CD1-CG 4.34Å; I88-L216 HydrophobicContact CG1-CD1 4.38Å; I88-L216 HydrophobicContact CG1-CD2 4.43Å; L92-L216 HydrophobicContact CD1-CD2 4.4Å; L92-L216 HydrophobicContact CD2-CD2 3.81Å; L92-L216 HydrophobicContact CG-CD2 4.44Å; L154-L216 HydrophobicContact CD1-CD2 3.52Å; L154-L216 HydrophobicContact CD1-CG 3.98Å; H155-L216 PolarHBondContact CD2-O 3.03Å; H155-L216 VanDerWaalsContact CD2-O 3.29Å; L157-L216 HydrophobicContact CD1-CD2 4.37Å; I159-L216 HydrophobicContact CG2-CB 4.2Å; L162-L216 HydrophobicContact CD1-CD2 4Å; Y167-L216 HydrophobicContact CD1-CD1 4.36Å; Y167-L216 HydrophobicContact CE1-CD1 3.91Å; L216-W241 HydrophobicContact CD2-CZ3 4.28Å; L216-F246 HydrophobicContact CB-CD1 4.42Å; L216-F246 HydrophobicContact CB-CE1 4.48Å; L216-F246 HydrophobicContact CD1-CD1 4.27Å; L216-F246 HydrophobicContact CD1-CE1 4.25Å |
| 217 | V | 95.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 138.9 | 171.7 | -61.8 | 0 | 0 | 0 | 0 | 109.8 | C215 S244 T245 D252 | C215-V217 PolarHBondContact O-N 2.99Å; V217-S244 CarbonylContact O-C 3.54Å; V217-S244 WeakPolarHBondContact O-CA 3.28Å; V217-S244 VanDerWaalsContact O-CB 3.24Å; V217-S244 WeakPolarHBondContact O-CB 3.47Å; V217-T245 HydrophobicContact CG2-CG2 3.6Å; V217-T245 VanDerWaalsContact CG2-O 3.24Å; V217-T245 WeakPolarHBondContact CG2-O 3.3Å; V217-T245 PolarHBondContact N-O 3.19Å; V217-T245 PolarHBondContact O-N 3.46Å; V217-D252 WeakPolarHBondContact CA-OD2 3.46Å; V217-D252 WeakPolarHBondContact CB-OD2 3.37Å |
| 218 | H | 96.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -70.1 | -41.2 | 172.8 | -173.8 | -93.8 | 0 | 0 | 0 | 111.6 | L154 D220 F221 L239 D240 W241 L243 S244 D252 | L154-H218 HydrophobicContact CD2-CB 3.94Å; H218-D220 VanDerWaalsContact C-N 3.27Å; H218-D220 PolarHBondContact CE1-O 3.01Å; H218-D220 PolarHBondContact ND1-N 3.43Å; H218-D220 PolarHBondContact ND1-O 3.29Å; H218-D220 PolarHBondContact O-N 2.96Å; H218-F221 HydrophobicContact CB-CB 4.02Å; H218-F221 HydrophobicContact CB-CD2 4.07Å; H218-F221 PolarHBondContact ND1-N 2.91Å; H218-L239 PolarHBondContact CE1-O 2.79Å; H218-L239 VanDerWaalsContact CE1-O 3.23Å; H218-L239 PolarHBondContact NE2-O 3.1Å; H218-D240 PolarHBondContact CE1-O 2.84Å; H218-D240 PolarHBondContact NE2-O 3Å; H218-W241 AromaticContact CD2-CD2 3.72Å; H218-W241 AromaticContact CD2-CE2 3.8Å; H218-W241 AromaticContact CD2-CE3 3.72Å; H218-W241 AromaticContact CD2-CH2 3.86Å; H218-W241 AromaticContact CD2-CZ2 3.89Å; H218-W241 AromaticContact CD2-CZ3 3.79Å; H218-L243 CarbonylContact O-C 3.35Å; H218-S244 WeakPolarHBondContact O-CA 3.07Å; H218-S244 WeakPolarHBondContact O-CB 3.3Å; H218-S244 PolarHBondContact O-N 3.38Å; H218-D252 WeakPolarHBondContact CA-OD2 3.35Å; H218-D252 WeakPolarHBondContact CB-OD2 3.21Å; H218-D252 PolarHBondContact N-OD2 2.92Å | ||
| 219 | G | 92.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 84.2 | -19 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D252 K314 | G219-D252 WeakPolarHBondContact CA-OD1 3.33Å; G219-D252 PolarHBondContact N-OD1 2.88Å; G219-D252 PolarHBondContact N-OD2 2.91Å; G219-K314 PolarHBondContact O-NZ 3.26Å |
| 220 | D | 92.5 | Very high | 90.8 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -139.1 | 47.9 | 169.8 | -169.4 | 29.1 | 0 | 0 | 0 | 111.1 | H218 K222 N225 L243 H255 | H218-D220 VanDerWaalsContact C-N 3.27Å; H218-D220 PolarHBondContact CE1-O 3.01Å; H218-D220 PolarHBondContact ND1-N 3.43Å; H218-D220 PolarHBondContact ND1-O 3.29Å; H218-D220 PolarHBondContact O-N 2.96Å; D220-K222 PolarHBondContact O-N 3.38Å; D220-K222 IonicContact OD1-NZ 2.69Å; D220-K222 PolarHBondContact OD1-NZ 3.35Å; D220-K222 IonicContact OD2-NZ 3.47Å; D220-K222 PolarHBondContact OD2-NZ 3.17Å; D220-N225 PolarHBondContact O-ND2 2.72Å; D220-N225 PolarHBondContact OD2-ND2 3.34Å; D220-L243 HydrophobicContact CB-CD1 4.17Å; D220-H255 IonicContact OD1-CD2 3.74Å; D220-H255 IonicContact OD1-CE1 2.77Å; D220-H255 IonicContact OD1-NE2 3.74Å; D220-H255 PolarHBondContact OD1-NE2 2.84Å |
| 221 | F | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -77.7 | 108.4 | -175.9 | -164.4 | -89.2 | 0 | 0 | 0 | 111.1 | V147 T150 L151 H218 I226 V238 D252 H255 L256 | V147-F221 HydrophobicContact CG1-CE1 3.72Å; V147-F221 HydrophobicContact CG1-CZ 4.44Å; T150-F221 HydrophobicContact CG2-CZ 4.43Å; L151-F221 HydrophobicContact CB-CD1 4.23Å; L151-F221 HydrophobicContact CB-CE1 3.67Å; L151-F221 HydrophobicContact CB-CE2 4.43Å; L151-F221 HydrophobicContact CB-CZ 3.79Å; L151-F221 HydrophobicContact CD1-CB 4.28Å; L151-F221 HydrophobicContact CD1-CD1 3.87Å; L151-F221 HydrophobicContact CD1-CD2 3.89Å; L151-F221 HydrophobicContact CD1-CE1 4.1Å; L151-F221 HydrophobicContact CD1-CE2 4.13Å; L151-F221 HydrophobicContact CD1-CG 3.74Å; L151-F221 HydrophobicContact CD1-CZ 4.23Å; L151-F221 HydrophobicContact CD2-CD1 3.94Å; L151-F221 HydrophobicContact CD2-CE1 4.16Å; L151-F221 HydrophobicContact CG-CD1 4.23Å; L151-F221 HydrophobicContact CG-CE1 4.19Å; H218-F221 HydrophobicContact CB-CB 4.02Å; H218-F221 HydrophobicContact CB-CD2 4.07Å; H218-F221 PolarHBondContact ND1-N 2.91Å; F221-I226 HydrophobicContact CE1-CD1 3.87Å; F221-I226 HydrophobicContact CE2-CD1 4.37Å; F221-I226 HydrophobicContact CZ-CD1 3.73Å; F221-V238 HydrophobicContact CD2-CG1 4.25Å; F221-V238 HydrophobicContact CE2-CG1 4.09Å; F221-V238 HydrophobicContact CE2-CG2 4.15Å; F221-D252 HydrophobicContact CB-CB 4.22Å; F221-H255 PolarHBondContact O-CD2 3.41Å; F221-L256 HydrophobicContact CD1-CD1 4.43Å; F221-L256 HydrophobicContact CD1-CD2 4.33Å; F221-L256 HydrophobicContact CE1-CD2 4.3Å | ||
| 222 | K | 90.9 | Very high | 92.1 | Very high | 50 Ų | 50 | 35.1 Ų | 35.1 | 22% | 0.217 | 18% | 0.177 | C | C | . | . | trans | -156.1 | 164 | -177.4 | 50.7 | 170.2 | -159.8 | -114 | 0 | 111.1 | D220 D224 N225 | D220-K222 PolarHBondContact O-N 3.38Å; D220-K222 IonicContact OD1-NZ 2.69Å; D220-K222 PolarHBondContact OD1-NZ 3.35Å; D220-K222 IonicContact OD2-NZ 3.47Å; D220-K222 PolarHBondContact OD2-NZ 3.17Å; K222-D224 VanDerWaalsContact C-N 3.31Å; K222-D224 WeakPolarHBondContact CD-OD1 3Å; K222-D224 WeakPolarHBondContact CE-OD1 3.46Å; K222-D224 WeakPolarHBondContact CE-OD2 3.46Å; K222-D224 WeakPolarHBondContact CG-OD1 3.19Å; K222-D224 PolarHBondContact O-N 3.44Å; K222-N225 HydrophobicContact CG-CB 4.45Å; K222-N225 PolarHBondContact O-N 2.93Å | ||
| 223 | L | 90.4 | Very high | 93 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -60.2 | -35.1 | -167.5 | -168.2 | 68.6 | 0 | 0 | 0 | 114.2 | F127 F130 I132 I143 V147 N225 I226 F228 | F127-L223 HydrophobicContact CB-CD2 3.67Å; F127-L223 HydrophobicContact CB-CG 3.9Å; F127-L223 CarbonylContact O-C 3.56Å; F127-L223 WeakPolarHBondContact O-CG 3.38Å; F130-L223 HydrophobicContact CD1-CB 4.03Å; F130-L223 HydrophobicContact CD1-CD2 4.27Å; F130-L223 HydrophobicContact CE1-CB 3.79Å; I132-L223 HydrophobicContact CD1-CD2 3.94Å; I132-L223 HydrophobicContact CG1-CD2 3.87Å; I143-L223 HydrophobicContact CG2-CD1 4.34Å; V147-L223 HydrophobicContact CG2-CD1 3.86Å; L223-N225 VanDerWaalsContact C-N 3.27Å; L223-N225 PolarHBondContact O-N 2.84Å; L223-I226 PolarHBondContact O-N 2.92Å; L223-F228 HydrophobicContact CD1-CE2 3.79Å; L223-F228 HydrophobicContact CD1-CZ 3.74Å |
| 224 | D | 88.6 | Confident | 93.7 | Very high | 46 Ų | 46 | 35.2 Ų | 35.2 | 25% | 0.246 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -75.2 | -12.9 | 178.5 | 60.2 | -36.2 | 0 | 0 | 0 | 113.9 | I126 F127 R128 K222 I226 | I126-D224 WeakPolarHBondContact CG2-O 3.24Å; F127-D224 PolarHBondContact O-N 3.41Å; R128-D224 HydrophobicContact CG-CB 4.18Å; K222-D224 VanDerWaalsContact C-N 3.31Å; K222-D224 WeakPolarHBondContact CD-OD1 3Å; K222-D224 WeakPolarHBondContact CE-OD1 3.46Å; K222-D224 WeakPolarHBondContact CE-OD2 3.46Å; K222-D224 WeakPolarHBondContact CG-OD1 3.19Å; K222-D224 PolarHBondContact O-N 3.44Å; D224-I226 VanDerWaalsContact C-N 3.34Å |
| 225 | N | 93.9 | Very high | 94.4 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 10% | 0.096 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -94.8 | 12.8 | 171.2 | -73.8 | -21 | 0 | 0 | 0 | 112.4 | D220 K222 L223 L239 | D220-N225 PolarHBondContact O-ND2 2.72Å; D220-N225 PolarHBondContact OD2-ND2 3.34Å; K222-N225 HydrophobicContact CG-CB 4.45Å; K222-N225 PolarHBondContact O-N 2.93Å; L223-N225 VanDerWaalsContact C-N 3.27Å; L223-N225 PolarHBondContact O-N 2.84Å; N225-L239 WeakPolarHBondContact O-CB 3.37Å; N225-L239 PolarHBondContact O-N 2.74Å |
| 226 | I | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.6 | -177.7 | -61.9 | 173.9 | 0 | 0 | 0 | 110 | V147 F221 L223 D224 F228 V235 | V147-I226 HydrophobicContact CB-CD1 4.44Å; V147-I226 HydrophobicContact CG1-CD1 3.91Å; V147-I226 HydrophobicContact CG2-CD1 3.94Å; F221-I226 HydrophobicContact CE1-CD1 3.87Å; F221-I226 HydrophobicContact CE2-CD1 4.37Å; F221-I226 HydrophobicContact CZ-CD1 3.73Å; L223-I226 PolarHBondContact O-N 2.92Å; D224-I226 VanDerWaalsContact C-N 3.34Å; I226-F228 HydrophobicContact CB-CE2 3.96Å; I226-F228 HydrophobicContact CB-CZ 4.27Å; I226-F228 HydrophobicContact CG2-CD2 4.03Å; I226-F228 HydrophobicContact CG2-CE1 4.11Å; I226-F228 HydrophobicContact CG2-CE2 3.52Å; I226-F228 HydrophobicContact CG2-CZ 3.58Å; I226-V235 HydrophobicContact CG2-CB 4.17Å; I226-V235 HydrophobicContact CG2-CG1 3.68Å; I226-V235 HydrophobicContact CG2-CG2 3.56Å |
| 227 | V | 96.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.7 | 170.5 | -168.8 | 0 | 0 | 0 | 0 | 108.8 | V122 I126 I236 A237 L239 | V122-V227 HydrophobicContact CG1-CB 4.43Å; V122-V227 HydrophobicContact CG1-CG1 4.01Å; I126-V227 HydrophobicContact CD1-CG2 4.15Å; I126-V227 HydrophobicContact CG1-CG2 4.11Å; V227-I236 HydrophobicContact CB-CG1 4.15Å; V227-I236 HydrophobicContact CG1-CD1 4.03Å; V227-I236 HydrophobicContact CG1-CG1 3.88Å; V227-I236 VanDerWaalsContact O-CG1 3.3Å; V227-I236 WeakPolarHBondContact O-CG1 3.49Å; V227-I236 PolarHBondContact O-N 2.93Å; V227-A237 HydrophobicContact CB-CB 4.1Å; V227-A237 HydrophobicContact CG2-CB 4.14Å; V227-A237 PolarHBondContact N-O 3.09Å; V227-A237 PolarHBondContact O-N 2.98Å; V227-L239 HydrophobicContact CG2-CD1 3.62Å; V227-L239 HydrophobicContact CG2-CD2 3.97Å; V227-L239 HydrophobicContact CG2-CG 3.84Å |
| 228 | F | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 153.8 | 173.7 | -63.3 | -91.9 | 0 | 0 | 0 | 111 | G124 R125 F127 I143 V147 L223 I226 R234 V235 | G124-F228 CarbonylContact C-O 3.57Å; G124-F228 WeakPolarHBondContact CA-O 3.27Å; R125-F228 HydrophobicContact CB-CB 4.31Å; R125-F228 PolarHBondContact N-O 2.78Å; R125-F228 PolarHBondContact O-N 3.37Å; F127-F228 AromaticContact CD2-CD2 3.55Å; F127-F228 HydrophobicContact CD2-CD2 3.55Å; F127-F228 AromaticContact CD2-CE2 3.7Å; F127-F228 HydrophobicContact CD2-CE2 3.7Å; F127-F228 HydrophobicContact CD2-CG 4.32Å; F127-F228 HydrophobicContact CE2-CB 4.34Å; F127-F228 AromaticContact CE2-CD2 3.73Å; F127-F228 HydrophobicContact CE2-CD2 3.73Å; F127-F228 HydrophobicContact CE2-CE2 4.23Å; F127-F228 HydrophobicContact CE2-CG 4.05Å; I143-F228 HydrophobicContact CB-CE1 4.49Å; I143-F228 HydrophobicContact CG2-CD1 4.35Å; I143-F228 HydrophobicContact CG2-CE1 3.65Å; I143-F228 HydrophobicContact CG2-CE2 4.29Å; I143-F228 HydrophobicContact CG2-CZ 3.6Å; V147-F228 HydrophobicContact CG2-CE1 4.01Å; V147-F228 HydrophobicContact CG2-CZ 3.52Å; L223-F228 HydrophobicContact CD1-CE2 3.79Å; L223-F228 HydrophobicContact CD1-CZ 3.74Å; I226-F228 HydrophobicContact CB-CE2 3.96Å; I226-F228 HydrophobicContact CB-CZ 4.27Å; I226-F228 HydrophobicContact CG2-CD2 4.03Å; I226-F228 HydrophobicContact CG2-CE1 4.11Å; I226-F228 HydrophobicContact CG2-CE2 3.52Å; I226-F228 HydrophobicContact CG2-CZ 3.58Å; F228-R234 WeakPolarHBondContact CA-O 3.43Å; F228-V235 HydrophobicContact CD1-CG2 4.21Å; F228-V235 HydrophobicContact CE1-CG2 3.79Å; F228-V235 HydrophobicContact CZ-CG2 4.38Å |
| 229 | H | 97.2 | Very high | 94.8 | Very high | 39 Ų | 39 | 36 Ų | 36 | 18% | 0.181 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 143.5 | 172.5 | -171.4 | -109.3 | 0 | 0 | 0 | 111.4 | R125 K231 E232 R234 I236 | R125-H229 PolarHBondContact NE-O 3.49Å; R125-H229 PolarHBondContact NH2-O 3.41Å; H229-K231 PolarHBondContact ND1-N 3.44Å; H229-K231 PolarHBondContact O-N 3.01Å; H229-K231 VanDerWaalsContact O-N 3.09Å; H229-E232 HydrophobicContact CB-CB 3.94Å; H229-E232 IonicContact CE1-OE1 2.9Å; H229-E232 PolarHBondContact CE1-OE1 3.37Å; H229-E232 WeakPolarHBondContact ND1-CB 3.45Å; H229-E232 WeakPolarHBondContact ND1-CG 3.28Å; H229-E232 PolarHBondContact ND1-N 3.45Å; H229-E232 VanDerWaalsContact ND1-N 3.17Å; H229-E232 IonicContact ND1-OE1 3.31Å; H229-E232 PolarHBondContact ND1-OE1 3.29Å; H229-E232 IonicContact NE2-OE1 3.89Å; H229-R234 HydrophobicContact CB-CG 3.77Å; H229-R234 PolarHBondContact CD2-NH2 2.95Å; H229-R234 PolarHBondContact N-O 3.16Å; H229-R234 PolarHBondContact NE2-NH2 3.09Å; H229-I236 HydrophobicContact CB-CG2 3.86Å |
| 230 | P | 93.8 | Very high | 94.7 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 35% | 0.351 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -53.7 | -31.7 | -179.5 | -30.2 | 36.1 | 0 | 0 | 0 | 114.9 | R125 | R125-P230 WeakPolarHBondContact CD-O 3.42Å; R125-P230 PolarHBondContact NE-O 2.82Å |
| 231 | K | 91.1 | Very high | 94.8 | Very high | 183 Ų | 183 | 36.1 Ų | 36.1 | 80% | 0.796 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -125 | -14.8 | -173.9 | -61.8 | -177.2 | -180 | -179.9 | 0 | 115.1 | H229 | H229-K231 PolarHBondContact ND1-N 3.44Å; H229-K231 PolarHBondContact O-N 3.01Å; H229-K231 VanDerWaalsContact O-N 3.09Å |
| 232 | E | 93.9 | Very high | 94.5 | Very high | 96 Ų | 96 | 38.4 Ų | 38.4 | 45% | 0.449 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -117 | 153 | -173.4 | -64.6 | 163 | -141.3 | 0 | 0 | 110.6 | R125 H229 R234 | R125-E232 VanDerWaalsContact NH2-C 3.34Å; R125-E232 PolarHBondContact NH2-O 3.43Å; H229-E232 HydrophobicContact CB-CB 3.94Å; H229-E232 IonicContact CE1-OE1 2.9Å; H229-E232 PolarHBondContact CE1-OE1 3.37Å; H229-E232 WeakPolarHBondContact ND1-CB 3.45Å; H229-E232 WeakPolarHBondContact ND1-CG 3.28Å; H229-E232 PolarHBondContact ND1-N 3.45Å; H229-E232 VanDerWaalsContact ND1-N 3.17Å; H229-E232 IonicContact ND1-OE1 3.31Å; H229-E232 PolarHBondContact ND1-OE1 3.29Å; H229-E232 IonicContact NE2-OE1 3.89Å; E232-R234 HydrophobicContact CB-CG 4.13Å; E232-R234 PolarHBondContact O-N 3.47Å; E232-R234 VanDerWaalsContact OE2-CD 3.26Å; E232-R234 WeakPolarHBondContact OE2-CD 3.26Å; E232-R234 IonicContact OE2-CZ 3.72Å; E232-R234 IonicContact OE2-NE 3.67Å; E232-R234 PolarHBondContact OE2-NE 3.3Å; E232-R234 IonicContact OE2-NH2 3.92Å |
| 233 | C | 95.1 | Very high | 94.5 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 26% | 0.264 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -83 | 51 | 177.7 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | E139 A142 I143 S146 | E139-C233 WeakPolarHBondContact CG-SG 3.38Å; A142-C233 HydrophobicContact CB-CB 3.68Å; I143-C233 HydrophobicContact CG1-CB 4.19Å; S146-C233 VanDerWaalsContact CB-O 3.31Å; S146-C233 WeakPolarHBondContact CB-O 3.46Å; S146-C233 PolarHBondContact OG-O 2.97Å |
| 234 | R | 96.7 | Very high | 94.7 | Very high | 112 Ų | 112 | 39 Ų | 39 | 42% | 0.423 | 19% | 0.191 | S | C | . | . | trans | -126.2 | 141.2 | 177.9 | 68.7 | 179.2 | 174.7 | 93.6 | -0 | 111.6 | S146 F228 H229 E232 I236 | S146-R234 WeakPolarHBondContact OG-CA 3.19Å; F228-R234 WeakPolarHBondContact CA-O 3.43Å; H229-R234 HydrophobicContact CB-CG 3.77Å; H229-R234 PolarHBondContact CD2-NH2 2.95Å; H229-R234 PolarHBondContact N-O 3.16Å; H229-R234 PolarHBondContact NE2-NH2 3.09Å; E232-R234 HydrophobicContact CB-CG 4.13Å; E232-R234 PolarHBondContact O-N 3.47Å; E232-R234 VanDerWaalsContact OE2-CD 3.26Å; E232-R234 WeakPolarHBondContact OE2-CD 3.26Å; E232-R234 IonicContact OE2-CZ 3.72Å; E232-R234 IonicContact OE2-NE 3.67Å; E232-R234 PolarHBondContact OE2-NE 3.3Å; E232-R234 IonicContact OE2-NH2 3.92Å; R234-I236 HydrophobicContact CG-CG2 4.21Å | ||
| 235 | V | 98.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 131 | 170.3 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | P98 S146 T150 I226 F228 V238 | P98-V235 HydrophobicContact CB-CG1 4.24Å; P98-V235 HydrophobicContact CG-CG1 4.09Å; S146-V235 PolarHBondContact OG-N 3.22Å; T150-V235 HydrophobicContact CG2-CB 4.38Å; T150-V235 HydrophobicContact CG2-CG1 4.13Å; T150-V235 HydrophobicContact CG2-CG2 4.49Å; T150-V235 WeakPolarHBondContact OG1-CG2 3.34Å; I226-V235 HydrophobicContact CG2-CB 4.17Å; I226-V235 HydrophobicContact CG2-CG1 3.68Å; I226-V235 HydrophobicContact CG2-CG2 3.56Å; F228-V235 HydrophobicContact CD1-CG2 4.21Å; F228-V235 HydrophobicContact CE1-CG2 3.79Å; F228-V235 HydrophobicContact CZ-CG2 4.38Å; V235-V238 HydrophobicContact CG1-CG2 4.11Å |
| 236 | I | 98.3 | Very high | 94.8 | Very high | 32 Ų | 32 | 38 Ų | 38 | 16% | 0.164 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | -19.2 | 176.6 | 63.2 | 168.9 | 0 | 0 | 0 | 113.1 | V122 V227 H229 R234 | V122-I236 HydrophobicContact CG1-CD1 3.5Å; V122-I236 HydrophobicContact CG1-CG1 3.75Å; V227-I236 HydrophobicContact CB-CG1 4.15Å; V227-I236 HydrophobicContact CG1-CD1 4.03Å; V227-I236 HydrophobicContact CG1-CG1 3.88Å; V227-I236 VanDerWaalsContact O-CG1 3.3Å; V227-I236 WeakPolarHBondContact O-CG1 3.49Å; V227-I236 PolarHBondContact O-N 2.93Å; H229-I236 HydrophobicContact CB-CG2 3.86Å; R234-I236 HydrophobicContact CG-CG2 4.21Å |
| 237 | A | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 136.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P98 V122 V227 L239 | P98-A237 CarbonylContact O-C 3.44Å; P98-A237 WeakPolarHBondContact O-CA 3.31Å; V122-A237 HydrophobicContact CB-CB 4.26Å; V122-A237 HydrophobicContact CG1-CB 4.03Å; V122-A237 HydrophobicContact CG2-CB 4.06Å; V227-A237 HydrophobicContact CB-CB 4.1Å; V227-A237 HydrophobicContact CG2-CB 4.14Å; V227-A237 PolarHBondContact N-O 3.09Å; V227-A237 PolarHBondContact O-N 2.98Å; A237-L239 HydrophobicContact CB-CD2 4.12Å |
| 238 | V | 98 | Very high | 94.5 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 127.3 | 162.4 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | F97 P98 T150 F221 V235 W241 | F97-V238 HydrophobicContact CE1-CB 4.4Å; F97-V238 HydrophobicContact CE1-CG2 4.05Å; F97-V238 HydrophobicContact CZ-CG2 4.28Å; P98-V238 PolarHBondContact O-N 3.08Å; T150-V238 HydrophobicContact CG2-CG2 3.85Å; F221-V238 HydrophobicContact CD2-CG1 4.25Å; F221-V238 HydrophobicContact CE2-CG1 4.09Å; F221-V238 HydrophobicContact CE2-CG2 4.15Å; V235-V238 HydrophobicContact CG1-CG2 4.11Å; V238-W241 HydrophobicContact CB-CZ2 3.9Å; V238-W241 HydrophobicContact CG1-CZ2 3.77Å; V238-W241 PolarHBondContact O-NE1 2.66Å |
| 239 | L | 94.1 | Very high | 94.3 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | trans | -106.4 | 165.2 | -174.4 | -52.1 | -178 | 0 | 0 | 0 | 111.5 | I126 H218 N225 V227 A237 | I126-L239 HydrophobicContact CD1-CD1 4.36Å; H218-L239 PolarHBondContact CE1-O 2.79Å; H218-L239 VanDerWaalsContact CE1-O 3.23Å; H218-L239 PolarHBondContact NE2-O 3.1Å; N225-L239 WeakPolarHBondContact O-CB 3.37Å; N225-L239 PolarHBondContact O-N 2.74Å; V227-L239 HydrophobicContact CG2-CD1 3.62Å; V227-L239 HydrophobicContact CG2-CD2 3.97Å; V227-L239 HydrophobicContact CG2-CG 3.84Å; A237-L239 HydrophobicContact CB-CD2 4.12Å | ||
| 240 | D | 90.9 | Very high | 94.2 | Very high | 27 Ų | 27 | 37.2 Ų | 37.2 | 14% | 0.144 | 18% | 0.182 | C | C | . | . | trans | 63 | 62.7 | 171.1 | -151.3 | 0.7 | 0 | 0 | 0 | 117.2 | R68 H218 E242 | R68-D240 IonicContact CZ-OD1 2.68Å; R68-D240 VanDerWaalsContact CZ-OD1 3.31Å; R68-D240 IonicContact NH1-OD1 3.62Å; R68-D240 PolarHBondContact NH1-OD1 3.34Å; R68-D240 VanDerWaalsContact NH2-CG 3.31Å; R68-D240 IonicContact NH2-OD1 3.48Å; R68-D240 PolarHBondContact NH2-OD1 3.18Å; R68-D240 IonicContact NH2-OD2 3.18Å; H218-D240 PolarHBondContact CE1-O 2.84Å; H218-D240 PolarHBondContact NE2-O 3Å; D240-E242 PolarHBondContact O-N 2.95Å; D240-E242 VanDerWaalsContact O-N 3.09Å; D240-E242 WeakPolarHBondContact OD1-CG 3.45Å | ||
| 241 | W | 93.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -77.2 | 14.6 | -179.1 | -68.2 | 83.4 | 0 | 0 | 0 | 115 | I88 Q89 L92 F97 V99 L154 L216 H218 V238 L243 S244 | I88-W241 HydrophobicContact CG1-CD2 4.4Å; I88-W241 HydrophobicContact CG1-CE3 3.76Å; I88-W241 HydrophobicContact CG1-CZ3 4.17Å; I88-W241 HydrophobicContact CG2-CB 3.78Å; I88-W241 HydrophobicContact CG2-CD2 4.37Å; I88-W241 HydrophobicContact CG2-CE3 4.29Å; I88-W241 HydrophobicContact CG2-CG 4.16Å; Q89-W241 HydrophobicContact CG-CG 4.07Å; L92-W241 HydrophobicContact CD1-CD2 4.13Å; L92-W241 HydrophobicContact CD1-CE3 3.95Å; L92-W241 HydrophobicContact CD1-CH2 3.18Å; L92-W241 HydrophobicContact CD1-CZ2 3.33Å; L92-W241 HydrophobicContact CD1-CZ3 3.5Å; F97-W241 HydrophobicContact CE1-CH2 4.1Å; F97-W241 AromaticContact CE1-CZ2 3.94Å; F97-W241 HydrophobicContact CE1-CZ2 3.94Å; V99-W241 HydrophobicContact CG1-CZ2 3.75Å; L154-W241 HydrophobicContact CD1-CH2 3.61Å; L154-W241 HydrophobicContact CD1-CZ3 4.04Å; L154-W241 HydrophobicContact CD2-CH2 3.91Å; L154-W241 HydrophobicContact CD2-CZ3 4.26Å; L154-W241 HydrophobicContact CG-CH2 4.43Å; L216-W241 HydrophobicContact CD2-CZ3 4.28Å; H218-W241 AromaticContact CD2-CD2 3.72Å; H218-W241 AromaticContact CD2-CE2 3.8Å; H218-W241 AromaticContact CD2-CE3 3.72Å; H218-W241 AromaticContact CD2-CH2 3.86Å; H218-W241 AromaticContact CD2-CZ2 3.89Å; H218-W241 AromaticContact CD2-CZ3 3.79Å; V238-W241 HydrophobicContact CB-CZ2 3.9Å; V238-W241 HydrophobicContact CG1-CZ2 3.77Å; V238-W241 PolarHBondContact O-NE1 2.66Å; W241-L243 VanDerWaalsContact C-N 3.32Å; W241-L243 PolarHBondContact O-N 3.03Å; W241-S244 WeakPolarHBondContact O-CB 3.46Å; W241-S244 PolarHBondContact O-N 2.92Å; W241-S244 VanDerWaalsContact O-N 3.17Å; W241-S244 PolarHBondContact O-OG 3.15Å |
| 242 | E | 90.1 | Very high | 94.5 | Very high | 47 Ų | 47 | 26.5 Ų | 26.5 | 22% | 0.22 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -64.2 | -34.3 | -170.8 | 72.7 | 174.6 | -169 | 0 | 0 | 113.6 | S52 E85 D240 | S52-E242 WeakPolarHBondContact CB-OE2 3.03Å; S52-E242 PolarHBondContact OG-OE1 2.75Å; S52-E242 VanDerWaalsContact OG-OE1 3.07Å; S52-E242 PolarHBondContact OG-OE2 3.5Å; E85-E242 HydrophobicContact CG-CB 4.38Å; D240-E242 PolarHBondContact O-N 2.95Å; D240-E242 VanDerWaalsContact O-N 3.09Å; D240-E242 WeakPolarHBondContact OD1-CG 3.45Å |
| 243 | L | 90.6 | Very high | 94.7 | Very high | 65 Ų | 65 | 22 Ų | 22 | 34% | 0.34 | 11% | 0.11 | S | C | . | . | G | 310 helix | trans | -91.3 | -2.9 | -179.9 | -60.3 | -168.4 | 0 | 0 | 0 | 113.5 | H218 D220 W241 | H218-L243 CarbonylContact O-C 3.35Å; D220-L243 HydrophobicContact CB-CD1 4.17Å; W241-L243 VanDerWaalsContact C-N 3.32Å; W241-L243 PolarHBondContact O-N 3.03Å |
| 244 | S | 94.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -66.1 | 146.6 | -172.2 | 65.4 | 0 | 0 | 0 | 0 | 111.9 | R84 Y167 V217 H218 W241 | R84-S244 PolarHBondContact NH1-O 3.39Å; R84-S244 PolarHBondContact NH2-O 3.44Å; Y167-S244 PolarHBondContact OH-OG 2.96Å; V217-S244 CarbonylContact O-C 3.54Å; V217-S244 WeakPolarHBondContact O-CA 3.28Å; V217-S244 VanDerWaalsContact O-CB 3.24Å; V217-S244 WeakPolarHBondContact O-CB 3.47Å; H218-S244 WeakPolarHBondContact O-CA 3.07Å; H218-S244 WeakPolarHBondContact O-CB 3.3Å; H218-S244 PolarHBondContact O-N 3.38Å; W241-S244 WeakPolarHBondContact O-CB 3.46Å; W241-S244 PolarHBondContact O-N 2.92Å; W241-S244 VanDerWaalsContact O-N 3.17Å; W241-S244 PolarHBondContact O-OG 3.15Å | ||
| 245 | T | 93.6 | Very high | 94.6 | Very high | 22 Ų | 22 | 15.7 Ų | 15.7 | 14% | 0.135 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 174.1 | -176.2 | -174 | 0 | 0 | 0 | 0 | 110 | R84 Y173 V217 | R84-T245 PolarHBondContact NH2-OG1 3.42Å; Y173-T245 HydrophobicContact CE2-CG2 3.73Å; V217-T245 HydrophobicContact CG2-CG2 3.6Å; V217-T245 VanDerWaalsContact CG2-O 3.24Å; V217-T245 WeakPolarHBondContact CG2-O 3.3Å; V217-T245 PolarHBondContact N-O 3.19Å; V217-T245 PolarHBondContact O-N 3.46Å |
| 246 | F | 92.9 | Very high | 94.5 | Very high | 20 Ų | 20 | 15.3 Ų | 15.3 | 9% | 0.088 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 133 | 159.4 | -53.6 | -33.8 | 0 | 0 | 0 | 110.3 | I159 L164 Y167 E214 C215 L216 | I159-F246 HydrophobicContact CB-CD1 4.49Å; I159-F246 HydrophobicContact CB-CE1 3.97Å; I159-F246 HydrophobicContact CB-CZ 4.08Å; I159-F246 HydrophobicContact CG2-CD1 4.17Å; I159-F246 HydrophobicContact CG2-CE1 3.95Å; L164-F246 HydrophobicContact CB-CZ 3.89Å; L164-F246 HydrophobicContact CD1-CE1 4.41Å; L164-F246 HydrophobicContact CD1-CZ 4.43Å; Y167-F246 HydrophobicContact CD1-CD1 4.02Å; Y167-F246 AromaticContact CD1-CE1 3.94Å; Y167-F246 HydrophobicContact CD1-CE1 3.94Å; Y167-F246 HydrophobicContact CD1-CG 4.46Å; Y167-F246 HydrophobicContact CD1-CZ 4.32Å; Y167-F246 HydrophobicContact CG-CE1 4.45Å; Y167-F246 HydrophobicContact CG-CZ 4.4Å; E214-F246 HydrophobicContact CG-CB 3.61Å; E214-F246 HydrophobicContact CG-CG 4.46Å; E214-F246 VanDerWaalsContact OE1-CB 3.22Å; E214-F246 WeakPolarHBondContact OE1-CB 3.4Å; C215-F246 CarbonylContact O-C 3.57Å; C215-F246 VanDerWaalsContact O-CA 3.26Å; C215-F246 WeakPolarHBondContact O-CA 3.49Å; L216-F246 HydrophobicContact CB-CD1 4.42Å; L216-F246 HydrophobicContact CB-CE1 4.48Å; L216-F246 HydrophobicContact CD1-CD1 4.27Å; L216-F246 HydrophobicContact CD1-CE1 4.25Å |
| 247 | G | 92.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | -169.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y173 C215 | Y173-G247 VanDerWaalsContact CG-CA 3.48Å; C215-G247 PolarHBondContact N-O 3.35Å; C215-G247 PolarHBondContact O-N 3.19Å; C215-G247 PolarHBondContact SG-O 3.33Å |
| 248 | H | 93.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 14.1 Ų | 14.1 | 6% | 0.056 | 7% | 0.073 | C | C | . | . | trans | -84.3 | 124 | -175.6 | -164.8 | -67.6 | 0 | 0 | 0 | 110.9 | Y173 L250 T251 F307 | Y173-H248 HydrophobicContact CD1-CB 3.72Å; Y173-H248 VanDerWaalsContact CD1-N 3.27Å; Y173-H248 HydrophobicContact CE1-CB 4.29Å; H248-L250 VanDerWaalsContact C-N 3.27Å; H248-L250 PolarHBondContact ND1-N 2.67Å; H248-L250 PolarHBondContact O-N 2.92Å; H248-T251 PolarHBondContact O-N 2.85Å; H248-T251 VanDerWaalsContact O-N 3.09Å; H248-T251 PolarHBondContact O-OG1 3.03Å; H248-F307 HydrophobicContact CB-CE1 4.24Å; H248-F307 AromaticContact CD2-CZ 3.99Å; H248-F307 AromaticContact CE1-CE1 3.84Å; H248-F307 AromaticContact CE1-CZ 3.31Å; H248-F307 WeakPolarHBondContact CE1-CZ 3.27Å; H248-F307 AromaticContact CG-CE1 3.7Å; H248-F307 AromaticContact CG-CZ 3.83Å; H248-F307 AromaticContact ND1-CE1 3.38Å; H248-F307 WeakPolarHBondContact ND1-CE1 3.46Å; H248-F307 AromaticContact ND1-CZ 3.38Å; H248-F307 WeakPolarHBondContact ND1-CZ 3.32Å; H248-F307 AromaticContact NE2-CZ 3.67Å | ||
| 249 | P | 94.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -34.5 | -171.2 | 14.3 | -23.9 | 0 | 0 | 0 | 114.1 | H155 E213 C215 T251 D252 L253 Y291 | H155-P249 HydrophobicContact CB-CB 4.03Å; H155-P249 PolarHBondContact CE1-O 2.99Å; H155-P249 WeakPolarHBondContact ND1-CB 3.47Å; E213-P249 HydrophobicContact CG-CG 4.03Å; E213-P249 WeakPolarHBondContact OE1-CG 3.47Å; E213-P249 WeakPolarHBondContact OE2-CG 3.47Å; C215-P249 WeakPolarHBondContact SG-CB 3.26Å; C215-P249 VanDerWaalsContact SG-CD 3.53Å; P249-T251 PolarHBondContact O-N 3.35Å; P249-T251 VanDerWaalsContact O-N 3.08Å; P249-D252 PolarHBondContact O-N 2.87Å; P249-D252 VanDerWaalsContact O-N 3.1Å; P249-L253 PolarHBondContact O-N 3.18Å; P249-Y291 WeakPolarHBondContact CB-OH 3.44Å |
| 250 | L | 94.5 | Very high | 93 | Very high | 12 Ų | 12 | 15.2 Ų | 15.2 | 6% | 0.063 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.1 | -16.1 | -179.5 | -60.7 | -173.2 | 0 | 0 | 0 | 113.8 | H248 L253 A254 L301 F307 | H248-L250 VanDerWaalsContact C-N 3.27Å; H248-L250 PolarHBondContact ND1-N 2.67Å; H248-L250 PolarHBondContact O-N 2.92Å; L250-L253 HydrophobicContact CD2-CD2 4Å; L250-A254 WeakPolarHBondContact O-CB 3.39Å; L250-A254 PolarHBondContact O-N 2.94Å; L250-L301 HydrophobicContact CD1-CB 4.31Å; L250-L301 HydrophobicContact CD1-CD2 4.48Å; L250-L301 HydrophobicContact CD2-CD1 3.72Å; L250-L301 HydrophobicContact CD2-CD2 4.11Å; L250-L301 HydrophobicContact CD2-CG 4.43Å; L250-F307 HydrophobicContact CB-CB 4.35Å; L250-F307 HydrophobicContact CB-CD1 3.74Å; L250-F307 HydrophobicContact CB-CD2 3.69Å; L250-F307 HydrophobicContact CB-CE1 3.88Å; L250-F307 HydrophobicContact CB-CE2 3.85Å; L250-F307 HydrophobicContact CB-CG 3.64Å; L250-F307 HydrophobicContact CB-CZ 3.94Å; L250-F307 HydrophobicContact CD1-CD2 3.79Å; L250-F307 HydrophobicContact CD1-CE2 3.54Å; L250-F307 HydrophobicContact CD1-CZ 4.15Å; L250-F307 HydrophobicContact CG-CD2 4.4Å; L250-F307 HydrophobicContact CG-CE2 4.27Å |
| 251 | T | 94.8 | Very high | 93 | Very high | 12 Ų | 12 | 16.1 Ų | 16.1 | 7% | 0.074 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.6 | -38 | 172.6 | 54.6 | 0 | 0 | 0 | 0 | 113 | Y173 H248 P249 H255 F307 L310 | Y173-T251 HydrophobicContact CD1-CG2 4.49Å; Y173-T251 HydrophobicContact CE1-CG2 3.69Å; H248-T251 PolarHBondContact O-N 2.85Å; H248-T251 VanDerWaalsContact O-N 3.09Å; H248-T251 PolarHBondContact O-OG1 3.03Å; P249-T251 PolarHBondContact O-N 3.35Å; P249-T251 VanDerWaalsContact O-N 3.08Å; T251-H255 VanDerWaalsContact O-CB 3.3Å; T251-H255 WeakPolarHBondContact O-CB 3.49Å; T251-H255 PolarHBondContact O-N 2.76Å; T251-F307 HydrophobicContact CG2-CD1 3.89Å; T251-F307 HydrophobicContact CG2-CE1 4.28Å; T251-L310 HydrophobicContact CG2-CD2 3.95Å |
| 252 | D | 96.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -75.5 | -37.7 | 177.4 | -79 | -6.3 | 0 | 0 | 0 | 111.5 | L151 H155 V217 H218 G219 F221 P249 A254 H255 L256 | L151-D252 HydrophobicContact CD1-CB 3.89Å; L151-D252 HydrophobicContact CD2-CB 4.42Å; H155-D252 IonicContact NE2-OD2 2.8Å; H155-D252 PolarHBondContact NE2-OD2 3.38Å; V217-D252 WeakPolarHBondContact CA-OD2 3.46Å; V217-D252 WeakPolarHBondContact CB-OD2 3.37Å; H218-D252 WeakPolarHBondContact CA-OD2 3.35Å; H218-D252 WeakPolarHBondContact CB-OD2 3.21Å; H218-D252 PolarHBondContact N-OD2 2.92Å; G219-D252 WeakPolarHBondContact CA-OD1 3.33Å; G219-D252 PolarHBondContact N-OD1 2.88Å; G219-D252 PolarHBondContact N-OD2 2.91Å; F221-D252 HydrophobicContact CB-CB 4.22Å; P249-D252 PolarHBondContact O-N 2.87Å; P249-D252 VanDerWaalsContact O-N 3.1Å; D252-A254 VanDerWaalsContact C-N 3.34Å; D252-A254 PolarHBondContact O-N 2.87Å; D252-H255 PolarHBondContact O-N 3.22Å; D252-L256 WeakPolarHBondContact O-CB 3.22Å; D252-L256 PolarHBondContact O-N 2.82Å |
| 253 | L | 96.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 175.7 | -173.6 | 64.7 | 0 | 0 | 0 | 111.4 | L151 P249 L250 L256 S257 I288 Y291 L301 W304 | L151-L253 HydrophobicContact CD2-CB 4.35Å; L151-L253 HydrophobicContact CD2-CD1 4.16Å; P249-L253 PolarHBondContact O-N 3.18Å; L250-L253 HydrophobicContact CD2-CD2 4Å; L253-L256 PolarHBondContact O-N 3.23Å; L253-S257 WeakPolarHBondContact O-CB 3.43Å; L253-S257 PolarHBondContact O-N 2.83Å; L253-S257 PolarHBondContact O-OG 3.23Å; L253-I288 HydrophobicContact CD2-CG1 4.26Å; L253-Y291 HydrophobicContact CD1-CD1 4.18Å; L253-Y291 HydrophobicContact CD1-CD2 4.07Å; L253-Y291 HydrophobicContact CD1-CG 3.82Å; L253-Y291 HydrophobicContact CD2-CD1 3.52Å; L253-Y291 HydrophobicContact CD2-CE1 3.74Å; L253-Y291 HydrophobicContact CD2-CG 4.05Å; L253-Y291 HydrophobicContact CG-CD1 4.42Å; L253-L301 HydrophobicContact CD2-CD1 3.74Å; L253-W304 HydrophobicContact CB-CH2 4.33Å; L253-W304 HydrophobicContact CB-CZ3 4.31Å; L253-W304 HydrophobicContact CD2-CH2 4.19Å; L253-W304 HydrophobicContact CD2-CZ3 4.03Å; L253-W304 HydrophobicContact CG-CH2 3.88Å; L253-W304 HydrophobicContact CG-CZ3 4.09Å |
| 254 | A | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.1 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L250 D252 S257 L258 W304 F307 M308 S311 | L250-A254 WeakPolarHBondContact O-CB 3.39Å; L250-A254 PolarHBondContact O-N 2.94Å; D252-A254 VanDerWaalsContact C-N 3.34Å; D252-A254 PolarHBondContact O-N 2.87Å; A254-S257 CarbonylContact O-C 3.47Å; A254-S257 PolarHBondContact O-N 2.82Å; A254-S257 VanDerWaalsContact O-N 3.08Å; A254-L258 PolarHBondContact O-N 3.42Å; A254-W304 VanDerWaalsContact CA-CH2 3.48Å; A254-W304 HydrophobicContact CB-CH2 3.89Å; A254-W304 HydrophobicContact CB-CZ3 3.97Å; A254-F307 HydrophobicContact CB-CB 3.7Å; A254-F307 WeakPolarHBondContact CB-O 3.31Å; A254-M308 HydrophobicContact CB-SD 3.85Å; A254-S311 WeakPolarHBondContact CB-OG 3.5Å |
| 255 | H | 95.1 | Very high | 91.4 | Very high | 20 Ų | 20 | 32 Ų | 32 | 9% | 0.093 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 174.5 | -169.5 | 74.1 | 0 | 0 | 0 | 111.9 | D220 F221 T251 D252 S257 L258 | D220-H255 IonicContact OD1-CD2 3.74Å; D220-H255 IonicContact OD1-CE1 2.77Å; D220-H255 IonicContact OD1-NE2 3.74Å; D220-H255 PolarHBondContact OD1-NE2 2.84Å; F221-H255 PolarHBondContact O-CD2 3.41Å; T251-H255 VanDerWaalsContact O-CB 3.3Å; T251-H255 WeakPolarHBondContact O-CB 3.49Å; T251-H255 PolarHBondContact O-N 2.76Å; D252-H255 PolarHBondContact O-N 3.22Å; H255-S257 PolarHBondContact O-N 3.25Å; H255-L258 WeakPolarHBondContact O-CB 3.2Å; H255-L258 VanDerWaalsContact O-CG 3.29Å; H255-L258 WeakPolarHBondContact O-CG 3.41Å; H255-L258 PolarHBondContact O-N 3.03Å |
| 256 | L | 94.7 | Very high | 90.7 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -32.1 | 173.2 | 178.6 | 62.4 | 0 | 0 | 0 | 112 | V147 L151 F221 D252 L253 L258 F259 L287 | V147-L256 HydrophobicContact CG1-CD1 3.85Å; V147-L256 HydrophobicContact CG1-CD2 3.79Å; V147-L256 HydrophobicContact CG1-CG 4.49Å; L151-L256 HydrophobicContact CD2-CD2 3.96Å; F221-L256 HydrophobicContact CD1-CD1 4.43Å; F221-L256 HydrophobicContact CD1-CD2 4.33Å; F221-L256 HydrophobicContact CE1-CD2 4.3Å; D252-L256 WeakPolarHBondContact O-CB 3.22Å; D252-L256 PolarHBondContact O-N 2.82Å; L253-L256 PolarHBondContact O-N 3.23Å; L256-L258 VanDerWaalsContact C-N 3.34Å; L256-F259 WeakPolarHBondContact O-CD1 3.39Å; L256-F259 WeakPolarHBondContact O-CE1 3.3Å; L256-L287 HydrophobicContact CD2-CD2 4.13Å; L256-L287 HydrophobicContact CG-CD2 4.26Å |
| 257 | S | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -84.1 | -2.5 | -177.9 | -57.2 | 0 | 0 | 0 | 0 | 114.1 | L253 A254 H255 F259 Y260 | L253-S257 WeakPolarHBondContact O-CB 3.43Å; L253-S257 PolarHBondContact O-N 2.83Å; L253-S257 PolarHBondContact O-OG 3.23Å; A254-S257 CarbonylContact O-C 3.47Å; A254-S257 PolarHBondContact O-N 2.82Å; A254-S257 VanDerWaalsContact O-N 3.08Å; H255-S257 PolarHBondContact O-N 3.25Å; S257-F259 PolarHBondContact O-N 3Å; S257-Y260 WeakPolarHBondContact O-CD2 3.38Å; S257-Y260 PolarHBondContact O-N 3.27Å |
| 258 | L | 90.9 | Very high | 88 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -59.4 | -31.7 | -177.2 | -71.8 | 178.6 | 0 | 0 | 0 | 113.2 | A254 H255 L256 Y260 Y261 W262 M308 F312 L315 | A254-L258 PolarHBondContact O-N 3.42Å; H255-L258 WeakPolarHBondContact O-CB 3.2Å; H255-L258 VanDerWaalsContact O-CG 3.29Å; H255-L258 WeakPolarHBondContact O-CG 3.41Å; H255-L258 PolarHBondContact O-N 3.03Å; L256-L258 VanDerWaalsContact C-N 3.34Å; L258-Y260 PolarHBondContact O-N 2.96Å; L258-Y261 CarbonylContact O-C 3.58Å; L258-Y261 PolarHBondContact O-N 3.26Å; L258-W262 PolarHBondContact O-N 3.47Å; L258-W262 VanDerWaalsContact O-N 3.15Å; L258-M308 HydrophobicContact CD2-CE 4.3Å; L258-F312 HydrophobicContact CD2-CD1 4.25Å; L258-F312 HydrophobicContact CD2-CD2 3.42Å; L258-F312 VanDerWaalsContact CD2-CD2 3.42Å; L258-F312 HydrophobicContact CD2-CE1 4.13Å; L258-F312 HydrophobicContact CD2-CE2 3.29Å; L258-F312 HydrophobicContact CD2-CG 3.91Å; L258-F312 HydrophobicContact CD2-CZ 3.67Å; L258-L315 HydrophobicContact CD1-CD2 4.18Å |
| 259 | F | 87.4 | Confident | 85.9 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -63.7 | -26.9 | -176.5 | 77.3 | -91.3 | 0 | 0 | 0 | 113.1 | F130 Y144 L256 S257 Y261 M268 I281 | F130-F259 HydrophobicContact CB-CB 4.45Å; F130-F259 HydrophobicContact CB-CD2 4.38Å; F130-F259 HydrophobicContact CB-CG 4.4Å; F130-F259 HydrophobicContact CD1-CB 4.11Å; F130-F259 HydrophobicContact CD1-CD1 4.05Å; F130-F259 HydrophobicContact CD1-CG 4.08Å; F130-F259 HydrophobicContact CD2-CB 4.38Å; F130-F259 HydrophobicContact CE1-CB 4.47Å; F130-F259 HydrophobicContact CE1-CD1 4.43Å; F130-F259 HydrophobicContact CG-CB 4.06Å; F130-F259 HydrophobicContact CG-CG 4.28Å; Y144-F259 AromaticContact CE1-CE1 3.89Å; Y144-F259 HydrophobicContact CE1-CE1 3.89Å; Y144-F259 AromaticContact CE1-CZ 3.61Å; Y144-F259 HydrophobicContact CE1-CZ 3.61Å; Y144-F259 AromaticContact CZ-CZ 3.94Å; L256-F259 WeakPolarHBondContact O-CD1 3.39Å; L256-F259 WeakPolarHBondContact O-CE1 3.3Å; S257-F259 PolarHBondContact O-N 3Å; F259-Y261 PolarHBondContact O-N 3.33Å; F259-M268 WeakPolarHBondContact O-CE 3.35Å; F259-I281 HydrophobicContact CE2-CG2 4.02Å; F259-I281 HydrophobicContact CZ-CG2 4.26Å |
| 260 | Y | 87.3 | Confident | 83.7 | Confident | 54 Ų | 54 | 47.8 Ų | 47.8 | 21% | 0.212 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -66.2 | -23.6 | 176 | -67.2 | -74.4 | 0 | 0 | 0 | 113.3 | S257 L258 P282 M284 L287 | S257-Y260 WeakPolarHBondContact O-CD2 3.38Å; S257-Y260 PolarHBondContact O-N 3.27Å; L258-Y260 PolarHBondContact O-N 2.96Å; Y260-P282 VanDerWaalsContact CE1-O 3.25Å; Y260-P282 WeakPolarHBondContact CE1-O 3.27Å; Y260-P282 PolarHBondContact OH-O 3.47Å; Y260-M284 HydrophobicContact CD1-CB 4.29Å; Y260-M284 HydrophobicContact CD2-CB 3.78Å; Y260-M284 HydrophobicContact CD2-CG 4.11Å; Y260-M284 HydrophobicContact CE1-CB 4.31Å; Y260-M284 HydrophobicContact CE2-CB 3.81Å; Y260-M284 HydrophobicContact CE2-CG 4.26Å; Y260-M284 HydrophobicContact CG-CB 4.03Å; Y260-L287 HydrophobicContact CE2-CD2 4.06Å |
| 261 | Y | 89.8 | Confident | 81.3 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -122.8 | 19.3 | -176.3 | -59.2 | -76.1 | 0 | 0 | 0 | 112.6 | L258 F259 M284 M308 T349 L353 L358 | L258-Y261 CarbonylContact O-C 3.58Å; L258-Y261 PolarHBondContact O-N 3.26Å; F259-Y261 PolarHBondContact O-N 3.33Å; Y261-M284 HydrophobicContact CE2-CE 4.14Å; Y261-M284 HydrophobicContact CE2-SD 3.59Å; Y261-M284 VanDerWaalsContact CE2-SD 3.59Å; Y261-M284 WeakPolarHBondContact OH-CE 3.38Å; Y261-M308 HydrophobicContact CD2-CE 3.5Å; Y261-M308 VanDerWaalsContact CD2-CE 3.5Å; Y261-M308 HydrophobicContact CE2-CE 3.98Å; Y261-M308 HydrophobicContact CG-CE 4.49Å; Y261-T349 WeakPolarHBondContact O-CG2 3.22Å; Y261-L353 HydrophobicContact CD1-CD2 3.68Å; Y261-L353 HydrophobicContact CD2-CD1 4.31Å; Y261-L353 HydrophobicContact CD2-CD2 4.42Å; Y261-L353 HydrophobicContact CE1-CD2 3.97Å; Y261-L353 HydrophobicContact CG-CD1 4.03Å; Y261-L353 HydrophobicContact CG-CD2 3.92Å; Y261-L358 HydrophobicContact CE1-CD2 4.21Å; Y261-L358 WeakPolarHBondContact OH-CD2 3.37Å |
| 262 | W | 87.8 | Confident | 78.6 | Confident | 70 Ų | 70 | 61.6 Ų | 61.6 | 27% | 0.265 | 30% | 0.303 | S | S | . | . | trans | -55.9 | 134.7 | -178.6 | -165 | -101.4 | 0 | 0 | 0 | 111.1 | L258 R264 L266 P267 M268 L315 L346 | L258-W262 PolarHBondContact O-N 3.47Å; L258-W262 VanDerWaalsContact O-N 3.15Å; W262-R264 PolarHBondContact O-N 3.18Å; W262-L266 HydrophobicContact CZ2-CD1 4.4Å; W262-P267 PolarHBondContact NE1-O 3.4Å; W262-M268 HydrophobicContact CB-CE 3.55Å; W262-M268 HydrophobicContact CB-SD 3.87Å; W262-M268 HydrophobicContact CD2-SD 4.43Å; W262-M268 HydrophobicContact CG-CE 4.09Å; W262-M268 HydrophobicContact CG-CG 4.17Å; W262-M268 HydrophobicContact CG-SD 3.72Å; W262-L315 HydrophobicContact CH2-CD2 3.79Å; W262-L315 HydrophobicContact CZ3-CD2 3.58Å; W262-L346 HydrophobicContact CH2-CD2 4.25Å; W262-L346 HydrophobicContact CZ3-CD2 4.24Å | ||
| 263 | P | 86.8 | Confident | 75.8 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 5% | 0.052 | 34% | 0.341 | C | S | . | . | trans | -62.1 | 127.6 | -176.8 | -17.5 | 27.9 | 0 | 0 | 0 | 110.9 | T265 L266 F312 P345 L346 T349 | P263-T265 PolarHBondContact O-N 2.85Å; P263-T265 VanDerWaalsContact O-N 3.15Å; P263-L266 HydrophobicContact CB-CD1 4.31Å; P263-L266 HydrophobicContact CB-CG 4.13Å; P263-L266 HydrophobicContact CG-CD1 4Å; P263-L266 HydrophobicContact CG-CG 4.37Å; P263-L266 PolarHBondContact O-N 3.14Å; P263-F312 HydrophobicContact CG-CE1 4.48Å; P263-P345 HydrophobicContact CB-CB 3.94Å; P263-P345 HydrophobicContact CG-CB 4.26Å; P263-L346 HydrophobicContact CG-CD2 4.06Å; P263-T349 WeakPolarHBondContact CG-OG1 3.49Å | ||
| 264 | R | 80.4 | Confident | 73.3 | Confident | 257 Ų | 257 | 75.3 Ų | 75.3 | 97% | 0.97 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.7 | -178.6 | -64.4 | -176.5 | -179.8 | -173.8 | -0.9 | 114 | W262 L266 | W262-R264 PolarHBondContact O-N 3.18Å; R264-L266 VanDerWaalsContact C-N 3.31Å |
| 265 | T | 80.7 | Confident | 71.3 | Confident | 111 Ų | 111 | 80 Ų | 80 | 68% | 0.681 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -17.5 | 178.6 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | P263 | P263-T265 PolarHBondContact O-N 2.85Å; P263-T265 VanDerWaalsContact O-N 3.15Å |
| 266 | L | 79.4 | Confident | 69.1 | Low | 15 Ų | 15 | 83.2 Ų | 83.2 | 8% | 0.079 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -91.1 | 140.8 | 174.1 | -61.3 | -174 | 0 | 0 | 0 | 109 | W262 P263 R264 M268 N341 T342 P345 L346 | W262-L266 HydrophobicContact CZ2-CD1 4.4Å; P263-L266 HydrophobicContact CB-CD1 4.31Å; P263-L266 HydrophobicContact CB-CG 4.13Å; P263-L266 HydrophobicContact CG-CD1 4Å; P263-L266 HydrophobicContact CG-CG 4.37Å; P263-L266 PolarHBondContact O-N 3.14Å; R264-L266 VanDerWaalsContact C-N 3.31Å; L266-M268 PolarHBondContact O-N 3.31Å; L266-N341 WeakPolarHBondContact CD2-O 3.47Å; L266-T342 HydrophobicContact CD1-CG2 4.23Å; L266-T342 HydrophobicContact CD2-CG2 4.11Å; L266-P345 HydrophobicContact CD1-CB 4.13Å; L266-P345 HydrophobicContact CD2-CB 4.06Å; L266-P345 HydrophobicContact CD2-CG 3.89Å; L266-P345 HydrophobicContact CG-CB 3.93Å; L266-P345 HydrophobicContact CG-CG 4.32Å; L266-L346 HydrophobicContact CD1-CD2 4.17Å; L266-L346 HydrophobicContact CD1-CG 3.98Å |
| 267 | P | 66.3 | Low | 67 | Low | 110 Ų | 110 | 92.2 Ų | 92.2 | 71% | 0.714 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 120.6 | 159 | 25.3 | -29.3 | 0 | 0 | 0 | 105.7 | W262 | W262-P267 PolarHBondContact NE1-O 3.4Š|
| 268 | M | 61 | Low | 65.3 | Low | 71 Ų | 71 | 96.9 Ų | 96.9 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 152.9 | 149.5 | -82.6 | -89.6 | -157.4 | 0 | 0 | 105.6 | F259 W262 L266 N270 | F259-M268 WeakPolarHBondContact O-CE 3.35Å; W262-M268 HydrophobicContact CB-CE 3.55Å; W262-M268 HydrophobicContact CB-SD 3.87Å; W262-M268 HydrophobicContact CD2-SD 4.43Å; W262-M268 HydrophobicContact CG-CE 4.09Å; W262-M268 HydrophobicContact CG-CG 4.17Å; W262-M268 HydrophobicContact CG-SD 3.72Å; L266-M268 PolarHBondContact O-N 3.31Å; M268-N270 WeakPolarHBondContact CB-O 3.44Å; M268-N270 PolarHBondContact O-N 3.02Å |
| 269 | I | 49.8 | Very low | 64.4 | Low | 119 Ų | 119 | 97.5 Ų | 97.5 | 61% | 0.61 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -60 | 84.3 | 142.1 | -61.8 | 169.7 | 0 | 0 | 0 | 103.6 | ||
| 270 | N | 49.2 | Very low | 64 | Low | 74 Ų | 74 | 97.3 Ų | 97.3 | 40% | 0.396 | 50% | 0.498 | S | S | . | . | S | Bend | trans | 148.4 | 137.7 | 166.9 | -86.5 | -64.8 | 0 | 0 | 0 | 116.6 | D129 M268 | D129-N270 VanDerWaalsContact CA-ND2 3.28Å; D129-N270 WeakPolarHBondContact CA-ND2 3.43Å; D129-N270 WeakPolarHBondContact CB-ND2 3.5Å; D129-N270 PolarHBondContact OD1-ND2 2.97Å; D129-N270 VanDerWaalsContact OD2-CG 3.26Å; D129-N270 PolarHBondContact OD2-ND2 3.37Å; D129-N270 PolarHBondContact OD2-OD1 2.61Å; M268-N270 WeakPolarHBondContact CB-O 3.44Å; M268-N270 PolarHBondContact O-N 3.02Å |
| 271 | R | 42.3 | Very low | 64 | Low | 246 Ų | 246 | 95.8 Ų | 95.8 | 93% | 0.928 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -66.4 | 138.7 | 160.4 | -64.4 | 174.4 | 172.9 | 179.7 | -3 | 108.7 | ||
| 272 | G | 38.8 | Very low | 63.9 | Low | 69 Ų | 69 | 93.7 Ų | 93.7 | 71% | 0.711 | 49% | 0.486 | S | S | * | . | trans | 120.1 | 76.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113 | H274 | G272-H274 PolarHBondContact O-N 2.94Š| ||
| 273 | S | 37.9 | Very low | 63.9 | Low | 117 Ų | 117 | 93.7 Ų | 93.7 | 82% | 0.818 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -62.3 | 86.8 | 161.2 | 48.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 274 | H | 45.2 | Very low | 64 | Low | 172 Ų | 172 | 93.5 Ų | 93.5 | 80% | 0.796 | 49% | 0.489 | S | S | * | . | trans | 157.1 | 118.8 | 155.5 | -91.5 | -69.9 | 0 | 0 | 0 | 107.5 | G272 P276 | G272-H274 PolarHBondContact O-N 2.94Å; H274-P276 WeakPolarHBondContact O-CD 3.09Å | ||
| 275 | I | 53.3 | Low | 64.4 | Low | 97 Ų | 97 | 83 Ų | 83 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | trans | -77.8 | 110.7 | 159.3 | -62.3 | 174.3 | 0 | 0 | 0 | 104.7 | T279 I281 | I275-T279 HydrophobicContact CG2-CG2 3.73Å; I275-T279 VanDerWaalsContact CG2-OG1 3.3Å; I275-T279 WeakPolarHBondContact CG2-OG1 3.03Å; I275-I281 HydrophobicContact CD1-CD1 4.41Å; I275-I281 HydrophobicContact CG2-CD1 4.1Å | ||
| 276 | P | 49.9 | Very low | 64.8 | Low | 88 Ų | 88 | 79.1 Ų | 79.1 | 57% | 0.571 | 43% | 0.425 | S | S | * | . | trans | -61.3 | 164.9 | 178.7 | -22.7 | 34.6 | 0 | 0 | 0 | 112.2 | H274 T279 | H274-P276 WeakPolarHBondContact O-CD 3.09Å; P276-T279 HydrophobicContact CB-CG2 4.06Å; P276-T279 VanDerWaalsContact CD-CG2 3.48Å; P276-T279 HydrophobicContact CG-CG2 4.24Å; P276-T279 WeakPolarHBondContact O-CG2 2.94Å | ||
| 277 | E | 49.2 | Very low | 65.4 | Low | 193 Ų | 193 | 78.4 Ų | 78.4 | 90% | 0.902 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 147.2 | 169.4 | -67.1 | -178.7 | 171.3 | 0 | 0 | 110.7 | T279 | E277-T279 VanDerWaalsContact C-N 3.35Å; E277-T279 PolarHBondContact O-N 2.82Å |
| 278 | N | 58.8 | Low | 66.8 | Low | 98 Ų | 98 | 73.1 Ų | 73.1 | 52% | 0.524 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 31.6 | 175.1 | -140.4 | 20.7 | 0 | 0 | 0 | 116 | S137 G280 | S137-N278 PolarHBondContact OG-O 3.29Å; N278-G280 VanDerWaalsContact C-N 3.26Å; N278-G280 PolarHBondContact O-N 3.46Å |
| 279 | T | 71.6 | Confident | 68.3 | Low | 21 Ų | 21 | 71.8 Ų | 71.8 | 13% | 0.129 | 39% | 0.385 | C | S | . | . | trans | -69.9 | -17.3 | -177.9 | 44.7 | 0 | 0 | 0 | 0 | 115.2 | R140 I275 P276 E277 | R140-T279 WeakPolarHBondContact CD-O 3.18Å; R140-T279 PolarHBondContact NE-O 3.39Å; I275-T279 HydrophobicContact CG2-CG2 3.73Å; I275-T279 VanDerWaalsContact CG2-OG1 3.3Å; I275-T279 WeakPolarHBondContact CG2-OG1 3.03Å; P276-T279 HydrophobicContact CB-CG2 4.06Å; P276-T279 VanDerWaalsContact CD-CG2 3.48Å; P276-T279 HydrophobicContact CG-CG2 4.24Å; P276-T279 WeakPolarHBondContact O-CG2 2.94Å; E277-T279 VanDerWaalsContact C-N 3.35Å; E277-T279 PolarHBondContact O-N 2.82Å | ||
| 280 | G | 79.4 | Confident | 70.4 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 8% | 0.082 | 36% | 0.363 | C | S | . | . | S | Bend | trans | 77.3 | 9.6 | -172 | 0 | 0 | 0 | 0 | 0 | 113.2 | S137 R140 A141 N278 | S137-G280 WeakPolarHBondContact O-CA 3.43Å; S137-G280 WeakPolarHBondContact OG-CA 2.86Å; S137-G280 PolarHBondContact OG-N 3.08Å; R140-G280 CarbonylContact C-O 3.54Å; A141-G280 WeakPolarHBondContact CA-O 3.46Å; A141-G280 PolarHBondContact N-O 3.26Å; N278-G280 VanDerWaalsContact C-N 3.26Å; N278-G280 PolarHBondContact O-N 3.46Å |
| 281 | I | 87.3 | Confident | 72.7 | Confident | 22 Ų | 22 | 64 Ų | 64 | 11% | 0.113 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 123.3 | 166.2 | -55.9 | -179.9 | 0 | 0 | 0 | 106.6 | R140 Y144 F259 I275 | R140-I281 HydrophobicContact CG-CG1 4.09Å; Y144-I281 HydrophobicContact CD2-CG2 4.45Å; Y144-I281 HydrophobicContact CE2-CB 4.38Å; Y144-I281 HydrophobicContact CE2-CG1 4.08Å; Y144-I281 HydrophobicContact CE2-CG2 3.92Å; F259-I281 HydrophobicContact CE2-CG2 4.02Å; F259-I281 HydrophobicContact CZ-CG2 4.26Å; I275-I281 HydrophobicContact CD1-CD1 4.41Å; I275-I281 HydrophobicContact CG2-CD1 4.1Å |
| 282 | P | 87.8 | Confident | 75.3 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 150.6 | 177.1 | 22.3 | -31.1 | 0 | 0 | 0 | 110.6 | Y144 Y260 E286 L287 L371 | Y144-P282 VanDerWaalsContact CB-CD 3.5Å; Y144-P282 HydrophobicContact CD1-CG 4.09Å; Y144-P282 HydrophobicContact CG-CG 3.9Å; Y260-P282 VanDerWaalsContact CE1-O 3.25Å; Y260-P282 WeakPolarHBondContact CE1-O 3.27Å; Y260-P282 PolarHBondContact OH-O 3.47Å; P282-E286 WeakPolarHBondContact CA-OE2 3.29Å; P282-E286 HydrophobicContact CB-CB 3.97Å; P282-L287 HydrophobicContact CB-CB 4.41Å; P282-L287 HydrophobicContact CG-CB 4.27Å; P282-L287 HydrophobicContact CG-CD1 3.97Å; P282-L371 HydrophobicContact CB-CD1 3.83Å; P282-L371 HydrophobicContact CG-CD1 4.4Å |
| 283 | L | 86.6 | Confident | 77.9 | Confident | 70 Ų | 70 | 56.6 Ų | 56.6 | 37% | 0.366 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 156.1 | 159.3 | -61.3 | -179.1 | 0 | 0 | 0 | 109.7 | E285 E286 L287 | L283-E285 PolarHBondContact O-N 3.15Å; L283-E286 HydrophobicContact CB-CB 4.47Å; L283-E286 HydrophobicContact CB-CG 4.12Å; L283-E286 PolarHBondContact N-OE2 3.3Å; L283-E286 WeakPolarHBondContact O-CB 3.14Å; L283-E286 PolarHBondContact O-N 3.27Å; L283-E286 VanDerWaalsContact O-N 3.08Å; L283-L287 PolarHBondContact O-N 3.04Å |
| 284 | M | 89.4 | Confident | 80.7 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.4 | -41.4 | 178 | 176.1 | -169.2 | 50.7 | 0 | 0 | 110.9 | Y260 Y261 E286 L287 I288 W304 | Y260-M284 HydrophobicContact CD1-CB 4.29Å; Y260-M284 HydrophobicContact CD2-CB 3.78Å; Y260-M284 HydrophobicContact CD2-CG 4.11Å; Y260-M284 HydrophobicContact CE1-CB 4.31Å; Y260-M284 HydrophobicContact CE2-CB 3.81Å; Y260-M284 HydrophobicContact CE2-CG 4.26Å; Y260-M284 HydrophobicContact CG-CB 4.03Å; Y261-M284 HydrophobicContact CE2-CE 4.14Å; Y261-M284 HydrophobicContact CE2-SD 3.59Å; Y261-M284 VanDerWaalsContact CE2-SD 3.59Å; Y261-M284 WeakPolarHBondContact OH-CE 3.38Å; M284-E286 VanDerWaalsContact C-N 3.32Å; M284-E286 PolarHBondContact O-N 3.23Å; M284-L287 WeakPolarHBondContact O-CB 3.48Å; M284-L287 PolarHBondContact O-N 3.06Å; M284-I288 HydrophobicContact CG-CD1 3.86Å; M284-I288 HydrophobicContact CG-CG1 4.45Å; M284-I288 WeakPolarHBondContact O-CB 3.41Å; M284-I288 VanDerWaalsContact O-CG1 3.28Å; M284-I288 WeakPolarHBondContact O-CG1 3.37Å; M284-I288 PolarHBondContact O-N 3.27Å; M284-I288 HydrophobicContact SD-CD1 4.35Å; M284-W304 HydrophobicContact SD-CZ2 4.18Å |
| 285 | E | 88.3 | Confident | 83 | Confident | 36 Ų | 36 | 51.8 Ų | 51.8 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -33.6 | 179.9 | -59.6 | 84.3 | 173.2 | 0 | 0 | 112.2 | L283 S289 P362 | L283-E285 PolarHBondContact O-N 3.15Å; E285-S289 VanDerWaalsContact O-CB 3.25Å; E285-S289 WeakPolarHBondContact O-CB 3.42Å; E285-S289 PolarHBondContact O-N 3.08Å; E285-P362 HydrophobicContact CB-CB 4.37Å; E285-P362 HydrophobicContact CB-CG 4.2Å |
| 286 | E | 89.6 | Confident | 84.9 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.8 | -43.5 | 172.9 | -66 | 179.4 | 119.3 | 0 | 0 | 111.1 | P282 L283 M284 I288 S289 I290 Q370 L371 | P282-E286 WeakPolarHBondContact CA-OE2 3.29Å; P282-E286 HydrophobicContact CB-CB 3.97Å; L283-E286 HydrophobicContact CB-CB 4.47Å; L283-E286 HydrophobicContact CB-CG 4.12Å; L283-E286 PolarHBondContact N-OE2 3.3Å; L283-E286 WeakPolarHBondContact O-CB 3.14Å; L283-E286 PolarHBondContact O-N 3.27Å; L283-E286 VanDerWaalsContact O-N 3.08Å; M284-E286 VanDerWaalsContact C-N 3.32Å; M284-E286 PolarHBondContact O-N 3.23Å; E286-I288 VanDerWaalsContact C-N 3.33Å; E286-I288 PolarHBondContact O-N 3.14Å; E286-S289 WeakPolarHBondContact O-CB 3.25Å; E286-S289 PolarHBondContact O-N 3.28Å; E286-S289 VanDerWaalsContact O-N 3.12Å; E286-I290 WeakPolarHBondContact O-CD1 3.43Å; E286-I290 VanDerWaalsContact O-CG1 3.29Å; E286-I290 WeakPolarHBondContact O-CG1 3.28Å; E286-I290 PolarHBondContact O-N 2.89Å; E286-Q370 WeakPolarHBondContact OE1-CA 3.46Å; E286-L371 PolarHBondContact OE1-N 3.38Å |
| 287 | L | 92.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59 | -45.5 | 175.5 | -170.9 | 76.3 | 0 | 0 | 0 | 111.3 | Y144 A148 L256 Y260 P282 L283 M284 S289 I290 Y291 | Y144-L287 HydrophobicContact CD1-CD1 4.15Å; A148-L287 HydrophobicContact CB-CD1 3.82Å; A148-L287 HydrophobicContact CB-CG 4.44Å; L256-L287 HydrophobicContact CD2-CD2 4.13Å; L256-L287 HydrophobicContact CG-CD2 4.26Å; Y260-L287 HydrophobicContact CE2-CD2 4.06Å; P282-L287 HydrophobicContact CB-CB 4.41Å; P282-L287 HydrophobicContact CG-CB 4.27Å; P282-L287 HydrophobicContact CG-CD1 3.97Å; L283-L287 PolarHBondContact O-N 3.04Å; M284-L287 WeakPolarHBondContact O-CB 3.48Å; M284-L287 PolarHBondContact O-N 3.06Å; L287-S289 VanDerWaalsContact C-N 3.34Å; L287-I290 PolarHBondContact O-N 3.15Å; L287-Y291 WeakPolarHBondContact O-CB 3.48Å; L287-Y291 PolarHBondContact O-N 3.45Å; L287-Y291 VanDerWaalsContact O-N 3.08Å |
| 288 | I | 94 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.2 | -44.6 | 173.6 | -70.3 | 168.3 | 0 | 0 | 0 | 110.2 | L253 M284 E286 I290 Y291 C292 L301 W304 T360 | L253-I288 HydrophobicContact CD2-CG1 4.26Å; M284-I288 HydrophobicContact CG-CD1 3.86Å; M284-I288 HydrophobicContact CG-CG1 4.45Å; M284-I288 WeakPolarHBondContact O-CB 3.41Å; M284-I288 VanDerWaalsContact O-CG1 3.28Å; M284-I288 WeakPolarHBondContact O-CG1 3.37Å; M284-I288 PolarHBondContact O-N 3.27Å; M284-I288 HydrophobicContact SD-CD1 4.35Å; E286-I288 VanDerWaalsContact C-N 3.33Å; E286-I288 PolarHBondContact O-N 3.14Å; I288-I290 PolarHBondContact O-N 2.89Å; I288-Y291 PolarHBondContact O-N 2.89Å; I288-C292 WeakPolarHBondContact O-CB 3.32Å; I288-C292 PolarHBondContact O-N 2.89Å; I288-C292 PolarHBondContact O-SG 3.33Å; I288-C292 VanDerWaalsContact O-SG 3.33Å; I288-L301 HydrophobicContact CG2-CD1 3.61Å; I288-L301 HydrophobicContact CG2-CG 4.19Å; I288-W304 HydrophobicContact CD1-CD2 4.46Å; I288-W304 HydrophobicContact CD1-CH2 4.29Å; I288-W304 HydrophobicContact CD1-CZ2 3.79Å; I288-W304 HydrophobicContact CG1-CZ2 4.44Å; I288-T360 HydrophobicContact CD1-CG2 4.13Å |
| 289 | S | 93.3 | Very high | 90.2 | Very high | 43 Ų | 43 | 42.6 Ų | 42.6 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 179.7 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | E285 E286 L287 C292 H293 | E285-S289 VanDerWaalsContact O-CB 3.25Å; E285-S289 WeakPolarHBondContact O-CB 3.42Å; E285-S289 PolarHBondContact O-N 3.08Å; E286-S289 WeakPolarHBondContact O-CB 3.25Å; E286-S289 PolarHBondContact O-N 3.28Å; E286-S289 VanDerWaalsContact O-N 3.12Å; L287-S289 VanDerWaalsContact C-N 3.34Å; S289-C292 PolarHBondContact O-N 2.94Å; S289-H293 VanDerWaalsContact O-CB 3.23Å; S289-H293 WeakPolarHBondContact O-CB 3.47Å; S289-H293 PolarHBondContact O-N 3.38Å |
| 290 | I | 94.6 | Very high | 91 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 15% | 0.154 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.7 | -49.4 | 175.2 | -65 | 155.3 | 0 | 0 | 0 | 110.2 | V145 A148 E149 E286 L287 I288 C292 H293 R294 L371 | V145-I290 HydrophobicContact CG1-CG2 4.35Å; V145-I290 HydrophobicContact CG2-CD1 3.89Å; A148-I290 HydrophobicContact CB-CB 4.22Å; A148-I290 HydrophobicContact CB-CG2 3.79Å; E149-I290 HydrophobicContact CG-CG2 4.11Å; E286-I290 WeakPolarHBondContact O-CD1 3.43Å; E286-I290 VanDerWaalsContact O-CG1 3.29Å; E286-I290 WeakPolarHBondContact O-CG1 3.28Å; E286-I290 PolarHBondContact O-N 2.89Å; L287-I290 PolarHBondContact O-N 3.15Å; I288-I290 PolarHBondContact O-N 2.89Å; I290-C292 PolarHBondContact O-N 3.45Å; I290-H293 PolarHBondContact O-N 3.35Å; I290-R294 WeakPolarHBondContact O-CB 3.29Å; I290-R294 PolarHBondContact O-N 2.87Å; I290-L371 HydrophobicContact CD1-CD2 3.82Å |
| 291 | Y | 97.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -49.2 | 178.4 | 168.9 | -90.4 | 0 | 0 | 0 | 111.7 | L151 A152 H155 P249 L253 L287 I288 R294 R295 I297 | L151-Y291 HydrophobicContact CB-CD2 4.39Å; L151-Y291 HydrophobicContact CD2-CD2 4.45Å; L151-Y291 HydrophobicContact CD2-CE2 4.42Å; L151-Y291 HydrophobicContact CG-CD2 4.25Å; L151-Y291 HydrophobicContact CG-CE2 4.01Å; A152-Y291 HydrophobicContact CB-CD2 3.71Å; A152-Y291 HydrophobicContact CB-CE2 4.04Å; A152-Y291 HydrophobicContact CB-CG 4.44Å; H155-Y291 AromaticContact ND1-CE2 3.45Å; H155-Y291 WeakPolarHBondContact ND1-CE2 3.38Å; H155-Y291 AromaticContact ND1-CZ 3.55Å; H155-Y291 PolarHBondContact ND1-OH 3.46Å; P249-Y291 WeakPolarHBondContact CB-OH 3.44Å; L253-Y291 HydrophobicContact CD1-CD1 4.18Å; L253-Y291 HydrophobicContact CD1-CD2 4.07Å; L253-Y291 HydrophobicContact CD1-CG 3.82Å; L253-Y291 HydrophobicContact CD2-CD1 3.52Å; L253-Y291 HydrophobicContact CD2-CE1 3.74Å; L253-Y291 HydrophobicContact CD2-CG 4.05Å; L253-Y291 HydrophobicContact CG-CD1 4.42Å; L287-Y291 WeakPolarHBondContact O-CB 3.48Å; L287-Y291 PolarHBondContact O-N 3.45Å; L287-Y291 VanDerWaalsContact O-N 3.08Å; I288-Y291 PolarHBondContact O-N 2.89Å; Y291-R294 PolarHBondContact O-N 3.16Å; Y291-R295 HydrophobicContact CD1-CG 4.27Å; Y291-R295 HydrophobicContact CD2-CG 4.39Å; Y291-R295 HydrophobicContact CE1-CG 3.8Å; Y291-R295 HydrophobicContact CE2-CG 3.94Å; Y291-R295 WeakPolarHBondContact O-CB 3.34Å; Y291-R295 WeakPolarHBondContact O-CG 3.26Å; Y291-R295 PolarHBondContact O-N 2.92Å; Y291-R295 PolarHBondContact OH-NH1 3.35Å; Y291-I297 HydrophobicContact CE1-CD1 4.11Å |
| 292 | C | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | -178.8 | -72.2 | 0 | 0 | 0 | 0 | 111.9 | I288 S289 I290 R294 R295 G296 I297 P299 | I288-C292 WeakPolarHBondContact O-CB 3.32Å; I288-C292 PolarHBondContact O-N 2.89Å; I288-C292 PolarHBondContact O-SG 3.33Å; I288-C292 VanDerWaalsContact O-SG 3.33Å; S289-C292 PolarHBondContact O-N 2.94Å; I290-C292 PolarHBondContact O-N 3.45Å; C292-R294 VanDerWaalsContact C-N 3.34Å; C292-R294 PolarHBondContact O-N 2.88Å; C292-R295 CarbonylContact O-C 3.56Å; C292-R295 PolarHBondContact O-N 2.9Å; C292-G296 PolarHBondContact O-N 3.24Å; C292-I297 HydrophobicContact CB-CG1 3.85Å; C292-I297 WeakPolarHBondContact CB-O 3.43Å; C292-I297 PolarHBondContact O-N 3.23Å; C292-P299 HydrophobicContact CB-CB 4.3Å |
| 293 | H | 94.6 | Very high | 91.5 | Very high | 159 Ų | 159 | 52.9 Ų | 52.9 | 74% | 0.736 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -58.8 | -46.4 | 174.6 | -178.7 | 74.8 | 0 | 0 | 0 | 111.1 | S289 I290 R295 G296 | S289-H293 VanDerWaalsContact O-CB 3.23Å; S289-H293 WeakPolarHBondContact O-CB 3.47Å; S289-H293 PolarHBondContact O-N 3.38Å; I290-H293 PolarHBondContact O-N 3.35Å; H293-R295 VanDerWaalsContact C-N 3.33Å; H293-R295 PolarHBondContact O-N 2.92Å; H293-G296 PolarHBondContact O-N 2.82Å; H293-G296 VanDerWaalsContact O-N 3.14Å |
| 294 | R | 95.7 | Very high | 91.8 | Very high | 148 Ų | 148 | 49.9 Ų | 49.9 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -68.3 | -31.2 | 178.9 | -172 | 62.9 | 177.4 | 177.5 | 1.2 | 113.2 | E149 A152 I290 Y291 C292 | E149-R294 HydrophobicContact CB-CG 4.42Å; E149-R294 HydrophobicContact CG-CG 4.36Å; A152-R294 HydrophobicContact CB-CB 3.59Å; A152-R294 HydrophobicContact CB-CG 3.57Å; I290-R294 WeakPolarHBondContact O-CB 3.29Å; I290-R294 PolarHBondContact O-N 2.87Å; Y291-R294 PolarHBondContact O-N 3.16Å; C292-R294 VanDerWaalsContact C-N 3.34Å; C292-R294 PolarHBondContact O-N 2.88Å |
| 295 | R | 94 | Very high | 92.1 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 15% | 0.151 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -75.8 | -20.1 | 172.2 | -76.2 | -67.1 | -55.4 | -87.3 | -3.7 | 113.4 | A152 S156 E213 Y291 C292 H293 I297 | A152-R295 HydrophobicContact CB-CG 3.89Å; A152-R295 WeakPolarHBondContact O-CD 3.42Å; S156-R295 VanDerWaalsContact OG-CD 3.27Å; S156-R295 WeakPolarHBondContact OG-CD 3.47Å; S156-R295 PolarHBondContact OG-NE 3.31Å; E213-R295 IonicContact OE1-CZ 2.72Å; E213-R295 IonicContact OE1-NH1 3.93Å; E213-R295 IonicContact OE1-NH2 3.8Å; E213-R295 PolarHBondContact OE1-NH2 3.22Å; Y291-R295 HydrophobicContact CD1-CG 4.27Å; Y291-R295 HydrophobicContact CD2-CG 4.39Å; Y291-R295 HydrophobicContact CE1-CG 3.8Å; Y291-R295 HydrophobicContact CE2-CG 3.94Å; Y291-R295 WeakPolarHBondContact O-CB 3.34Å; Y291-R295 WeakPolarHBondContact O-CG 3.26Å; Y291-R295 PolarHBondContact O-N 2.92Å; Y291-R295 PolarHBondContact OH-NH1 3.35Å; C292-R295 CarbonylContact O-C 3.56Å; C292-R295 PolarHBondContact O-N 2.9Å; H293-R295 VanDerWaalsContact C-N 3.33Å; H293-R295 PolarHBondContact O-N 2.92Å; R295-I297 HydrophobicContact CB-CB 4.49Å; R295-I297 HydrophobicContact CB-CD1 3.99Å; R295-I297 HydrophobicContact CB-CG1 3.81Å; R295-I297 HydrophobicContact CB-CG2 4.17Å; R295-I297 HydrophobicContact CG-CD1 4.33Å |
| 296 | G | 94.1 | Very high | 92.4 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 73% | 0.732 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 33.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C292 H293 | C292-G296 PolarHBondContact O-N 3.24Å; H293-G296 PolarHBondContact O-N 2.82Å; H293-G296 VanDerWaalsContact O-N 3.14Å |
| 297 | I | 91.8 | Very high | 92.7 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 33% | 0.328 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -119.7 | 166.4 | -179.9 | 67.8 | 179.9 | 0 | 0 | 0 | 111.7 | Y291 C292 R295 L301 | Y291-I297 HydrophobicContact CE1-CD1 4.11Å; C292-I297 HydrophobicContact CB-CG1 3.85Å; C292-I297 WeakPolarHBondContact CB-O 3.43Å; C292-I297 PolarHBondContact O-N 3.23Å; R295-I297 HydrophobicContact CB-CB 4.49Å; R295-I297 HydrophobicContact CB-CD1 3.99Å; R295-I297 HydrophobicContact CB-CG1 3.81Å; R295-I297 HydrophobicContact CB-CG2 4.17Å; R295-I297 HydrophobicContact CG-CD1 4.33Å; I297-L301 HydrophobicContact CD1-CD2 4.29Å |
| 298 | D | 89.2 | Confident | 92.9 | Very high | 106 Ų | 106 | 48.5 Ų | 48.5 | 57% | 0.567 | 27% | 0.265 | S | S | * | . | trans | -68.1 | 133.1 | 178.3 | -162.5 | -47.1 | 0 | 0 | 0 | 111.4 | N300 L301 | D298-N300 PolarHBondContact O-N 3.18Å; D298-N300 WeakPolarHBondContact OD1-CB 3.04Å; D298-N300 PolarHBondContact OD1-N 3.15Å; D298-L301 WeakPolarHBondContact O-CD2 3.23Å | ||
| 299 | P | 87.3 | Confident | 93.1 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -67.8 | -14.6 | 173.2 | 28.5 | -36.2 | 0 | 0 | 0 | 114.2 | C292 L301 T360 T361 | C292-P299 HydrophobicContact CB-CB 4.3Å; P299-L301 PolarHBondContact O-N 3.22Å; P299-L301 VanDerWaalsContact O-N 3.12Å; P299-T360 VanDerWaalsContact O-CB 3.26Å; P299-T360 WeakPolarHBondContact O-CB 3.27Å; P299-T360 PolarHBondContact O-OG1 3.33Å; P299-T361 HydrophobicContact CB-CG2 4.32Å; P299-T361 HydrophobicContact CG-CG2 4.24Å |
| 300 | N | 88.7 | Confident | 93.3 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | trans | -77.3 | 90.6 | 169.9 | -174.1 | 24.2 | 0 | 0 | 0 | 110 | D298 P302 T360 T361 | D298-N300 PolarHBondContact O-N 3.18Å; D298-N300 WeakPolarHBondContact OD1-CB 3.04Å; D298-N300 PolarHBondContact OD1-N 3.15Å; N300-P302 VanDerWaalsContact O-CD 3.26Å; N300-P302 WeakPolarHBondContact O-CD 3.43Å; N300-T360 WeakPolarHBondContact CA-OG1 3.17Å; N300-T361 HydrophobicContact CB-CG2 4.25Å | ||
| 301 | L | 89.7 | Confident | 93.4 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | trans | -88.9 | 108.4 | -176.2 | -60.8 | 177 | 0 | 0 | 0 | 110.1 | L250 L253 I288 I297 D298 P299 W304 T360 | L250-L301 HydrophobicContact CD1-CB 4.31Å; L250-L301 HydrophobicContact CD1-CD2 4.48Å; L250-L301 HydrophobicContact CD2-CD1 3.72Å; L250-L301 HydrophobicContact CD2-CD2 4.11Å; L250-L301 HydrophobicContact CD2-CG 4.43Å; L253-L301 HydrophobicContact CD2-CD1 3.74Å; I288-L301 HydrophobicContact CG2-CD1 3.61Å; I288-L301 HydrophobicContact CG2-CG 4.19Å; I297-L301 HydrophobicContact CD1-CD2 4.29Å; D298-L301 WeakPolarHBondContact O-CD2 3.23Å; P299-L301 PolarHBondContact O-N 3.22Å; P299-L301 VanDerWaalsContact O-N 3.12Å; L301-W304 HydrophobicContact CD1-CE3 4.24Å; L301-W304 HydrophobicContact CD1-CZ3 4.38Å; L301-T360 HydrophobicContact CB-CG2 4.17Å; L301-T360 PolarHBondContact N-OG1 2.84Å; L301-T360 VanDerWaalsContact N-OG1 3.13Å | ||
| 302 | P | 85.6 | Confident | 93.4 | Very high | 90 Ų | 90 | 45.4 Ų | 45.4 | 58% | 0.584 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 152.3 | 178.3 | 28.8 | -35.1 | 0 | 0 | 0 | 110.6 | N300 W304 | N300-P302 VanDerWaalsContact O-CD 3.26Å; N300-P302 WeakPolarHBondContact O-CD 3.43Å; P302-W304 PolarHBondContact O-N 3.01Å; P302-W304 VanDerWaalsContact O-N 3.07Å |
| 303 | N | 89.7 | Confident | 93.5 | Very high | 62 Ų | 62 | 45.5 Ų | 45.5 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 21.8 | 179.6 | -48.4 | 98.8 | 0 | 0 | 0 | 114.4 | P208 N305 F306 F307 | P208-N303 HydrophobicContact CB-CB 4.35Å; P208-N303 HydrophobicContact CG-CB 4.33Å; N303-N305 PolarHBondContact O-N 2.78Å; N303-N305 VanDerWaalsContact O-N 3.13Å; N303-F306 HydrophobicContact CB-CB 4.23Å; N303-F306 WeakPolarHBondContact O-CA 3.34Å; N303-F306 VanDerWaalsContact O-CB 3.23Å; N303-F306 WeakPolarHBondContact O-CB 3.41Å; N303-F306 PolarHBondContact O-N 2.85Å; N303-F307 HydrophobicContact CB-CE2 4.34Å; N303-F307 WeakPolarHBondContact O-CD2 3.24Å; N303-F307 PolarHBondContact O-N 3.46Å |
| 304 | W | 93.8 | Very high | 93.5 | Very high | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -50.3 | -41.4 | 179.4 | -179.4 | -121 | 0 | 0 | 0 | 113.8 | L253 A254 M284 I288 L301 P302 F306 F307 M308 T360 | L253-W304 HydrophobicContact CB-CH2 4.33Å; L253-W304 HydrophobicContact CB-CZ3 4.31Å; L253-W304 HydrophobicContact CD2-CH2 4.19Å; L253-W304 HydrophobicContact CD2-CZ3 4.03Å; L253-W304 HydrophobicContact CG-CH2 3.88Å; L253-W304 HydrophobicContact CG-CZ3 4.09Å; A254-W304 VanDerWaalsContact CA-CH2 3.48Å; A254-W304 HydrophobicContact CB-CH2 3.89Å; A254-W304 HydrophobicContact CB-CZ3 3.97Å; M284-W304 HydrophobicContact SD-CZ2 4.18Å; I288-W304 HydrophobicContact CD1-CD2 4.46Å; I288-W304 HydrophobicContact CD1-CH2 4.29Å; I288-W304 HydrophobicContact CD1-CZ2 3.79Å; I288-W304 HydrophobicContact CG1-CZ2 4.44Å; L301-W304 HydrophobicContact CD1-CE3 4.24Å; L301-W304 HydrophobicContact CD1-CZ3 4.38Å; P302-W304 PolarHBondContact O-N 3.01Å; P302-W304 VanDerWaalsContact O-N 3.07Å; W304-F306 PolarHBondContact O-N 3.11Å; W304-F307 PolarHBondContact O-N 2.93Å; W304-F307 VanDerWaalsContact O-N 3.1Å; W304-M308 HydrophobicContact CD2-CG 4.21Å; W304-M308 HydrophobicContact CH2-SD 4.18Å; W304-M308 HydrophobicContact CZ2-CG 3.99Å; W304-M308 HydrophobicContact CZ2-SD 3.56Å; W304-M308 VanDerWaalsContact CZ2-SD 3.56Å; W304-M308 PolarHBondContact O-N 3.3Å; W304-T360 HydrophobicContact CB-CG2 3.62Å; W304-T360 HydrophobicContact CD2-CG2 4.15Å; W304-T360 HydrophobicContact CG-CG2 3.5Å |
| 305 | N | 94.6 | Very high | 93.4 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 20% | 0.198 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.8 | -37.1 | 174.5 | -69.5 | 7.8 | 0 | 0 | 0 | 113.3 | N303 A309 R356 L358 | N303-N305 PolarHBondContact O-N 2.78Å; N303-N305 VanDerWaalsContact O-N 3.13Å; N305-A309 WeakPolarHBondContact O-CB 3.42Å; N305-A309 PolarHBondContact O-N 3.23Å; N305-R356 PolarHBondContact ND2-O 2.96Å; N305-L358 VanDerWaalsContact OD1-CB 3.31Å; N305-L358 WeakPolarHBondContact OD1-CB 3.42Å; N305-L358 WeakPolarHBondContact OD1-CD1 3.5Å; N305-L358 VanDerWaalsContact OD1-CG 3.28Å; N305-L358 WeakPolarHBondContact OD1-CG 3.46Å |
| 306 | F | 96.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.2 | -46.4 | 177.3 | 171.2 | -88.7 | 0 | 0 | 0 | 110.6 | C174 V178 W202 L203 N206 L207 P208 N303 W304 A309 L310 | C174-F306 HydrophobicContact CB-CE1 3.75Å; C174-F306 HydrophobicContact CB-CZ 3.87Å; V178-F306 HydrophobicContact CG2-CE2 4.23Å; V178-F306 HydrophobicContact CG2-CZ 3.96Å; W202-F306 HydrophobicContact CH2-CB 4.41Å; W202-F306 HydrophobicContact CZ3-CB 4.41Å; W202-F306 HydrophobicContact CZ3-CD2 4.25Å; L203-F306 HydrophobicContact CB-CE2 4.25Å; L203-F306 HydrophobicContact CD2-CD2 3.67Å; L203-F306 HydrophobicContact CD2-CE2 3.6Å; L203-F306 HydrophobicContact CD2-CG 4.41Å; L203-F306 HydrophobicContact CD2-CZ 4.28Å; L203-F306 WeakPolarHBondContact O-CE2 3.18Å; N206-F306 WeakPolarHBondContact O-CD2 3.27Å; L207-F306 HydrophobicContact CD2-CE2 3.94Å; L207-F306 HydrophobicContact CD2-CZ 3.85Å; P208-F306 HydrophobicContact CG-CD1 3.63Å; P208-F306 HydrophobicContact CG-CE1 3.84Å; P208-F306 HydrophobicContact CG-CG 4.19Å; N303-F306 HydrophobicContact CB-CB 4.23Å; N303-F306 WeakPolarHBondContact O-CA 3.34Å; N303-F306 VanDerWaalsContact O-CB 3.23Å; N303-F306 WeakPolarHBondContact O-CB 3.41Å; N303-F306 PolarHBondContact O-N 2.85Å; W304-F306 PolarHBondContact O-N 3.11Å; F306-A309 PolarHBondContact O-N 2.8Å; F306-L310 HydrophobicContact CE1-CB 4.46Å; F306-L310 HydrophobicContact CE1-CD2 3.86Å; F306-L310 HydrophobicContact CZ-CD2 4.18Å; F306-L310 VanDerWaalsContact O-CB 3.23Å; F306-L310 WeakPolarHBondContact O-CB 3.39Å; F306-L310 PolarHBondContact O-N 2.91Å |
| 307 | F | 96 | Very high | 93.4 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.8 | -38.7 | -179.4 | -65.2 | -74.9 | 0 | 0 | 0 | 112.5 | P208 H248 L250 T251 A254 N303 W304 L310 S311 | P208-F307 HydrophobicContact CG-CE2 4.13Å; P208-F307 HydrophobicContact CG-CZ 3.78Å; H248-F307 HydrophobicContact CB-CE1 4.24Å; H248-F307 AromaticContact CD2-CZ 3.99Å; H248-F307 AromaticContact CE1-CE1 3.84Å; H248-F307 AromaticContact CE1-CZ 3.31Å; H248-F307 WeakPolarHBondContact CE1-CZ 3.27Å; H248-F307 AromaticContact CG-CE1 3.7Å; H248-F307 AromaticContact CG-CZ 3.83Å; H248-F307 AromaticContact ND1-CE1 3.38Å; H248-F307 WeakPolarHBondContact ND1-CE1 3.46Å; H248-F307 AromaticContact ND1-CZ 3.38Å; H248-F307 WeakPolarHBondContact ND1-CZ 3.32Å; H248-F307 AromaticContact NE2-CZ 3.67Å; L250-F307 HydrophobicContact CB-CB 4.35Å; L250-F307 HydrophobicContact CB-CD1 3.74Å; L250-F307 HydrophobicContact CB-CD2 3.69Å; L250-F307 HydrophobicContact CB-CE1 3.88Å; L250-F307 HydrophobicContact CB-CE2 3.85Å; L250-F307 HydrophobicContact CB-CG 3.64Å; L250-F307 HydrophobicContact CB-CZ 3.94Å; L250-F307 HydrophobicContact CD1-CD2 3.79Å; L250-F307 HydrophobicContact CD1-CE2 3.54Å; L250-F307 HydrophobicContact CD1-CZ 4.15Å; L250-F307 HydrophobicContact CG-CD2 4.4Å; L250-F307 HydrophobicContact CG-CE2 4.27Å; T251-F307 HydrophobicContact CG2-CD1 3.89Å; T251-F307 HydrophobicContact CG2-CE1 4.28Å; A254-F307 HydrophobicContact CB-CB 3.7Å; A254-F307 WeakPolarHBondContact CB-O 3.31Å; N303-F307 HydrophobicContact CB-CE2 4.34Å; N303-F307 WeakPolarHBondContact O-CD2 3.24Å; N303-F307 PolarHBondContact O-N 3.46Å; W304-F307 PolarHBondContact O-N 2.93Å; W304-F307 VanDerWaalsContact O-N 3.1Å; F307-L310 PolarHBondContact O-N 2.69Å; F307-S311 WeakPolarHBondContact O-CB 3.33Å; F307-S311 PolarHBondContact O-N 2.93Å; F307-S311 PolarHBondContact O-OG 2.68Å |
| 308 | M | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.5 | -49 | 172.3 | -70.7 | -59.7 | -63.1 | 0 | 0 | 111.6 | A254 L258 Y261 W304 L310 S311 F312 L353 L358 | A254-M308 HydrophobicContact CB-SD 3.85Å; L258-M308 HydrophobicContact CD2-CE 4.3Å; Y261-M308 HydrophobicContact CD2-CE 3.5Å; Y261-M308 VanDerWaalsContact CD2-CE 3.5Å; Y261-M308 HydrophobicContact CE2-CE 3.98Å; Y261-M308 HydrophobicContact CG-CE 4.49Å; W304-M308 HydrophobicContact CD2-CG 4.21Å; W304-M308 HydrophobicContact CH2-SD 4.18Å; W304-M308 HydrophobicContact CZ2-CG 3.99Å; W304-M308 HydrophobicContact CZ2-SD 3.56Å; W304-M308 VanDerWaalsContact CZ2-SD 3.56Å; W304-M308 PolarHBondContact O-N 3.3Å; M308-L310 VanDerWaalsContact C-N 3.34Å; M308-L310 PolarHBondContact O-N 3.27Å; M308-S311 PolarHBondContact O-N 2.89Å; M308-F312 HydrophobicContact CE-CE2 4.21Å; M308-F312 WeakPolarHBondContact O-CD2 3.4Å; M308-F312 PolarHBondContact O-N 2.89Å; M308-F312 VanDerWaalsContact O-N 3.09Å; M308-L353 HydrophobicContact CB-CD1 4.35Å; M308-L353 HydrophobicContact CE-CD1 4.16Å; M308-L358 HydrophobicContact CG-CD1 4.16Å |
| 309 | A | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L199 W202 L203 N305 F306 S311 F312 F313 | L199-A309 HydrophobicContact CD1-CB 3.98Å; W202-A309 HydrophobicContact CE3-CB 4.46Å; W202-A309 HydrophobicContact CZ3-CB 3.98Å; L203-A309 HydrophobicContact CD2-CB 3.95Å; N305-A309 WeakPolarHBondContact O-CB 3.42Å; N305-A309 PolarHBondContact O-N 3.23Å; F306-A309 PolarHBondContact O-N 2.8Å; A309-S311 VanDerWaalsContact C-N 3.34Å; A309-F312 PolarHBondContact O-N 3.02Å; A309-F313 VanDerWaalsContact O-CB 3.31Å; A309-F313 WeakPolarHBondContact O-CB 3.44Å; A309-F313 PolarHBondContact O-N 3.01Å |
| 310 | L | 97.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.3 | -40.2 | 176.8 | 178.6 | 59.3 | 0 | 0 | 0 | 111.6 | Q177 V178 L203 T251 F306 F307 M308 F313 K314 | Q177-L310 HydrophobicContact CB-CD1 4.18Å; Q177-L310 HydrophobicContact CB-CD2 4.14Å; V178-L310 HydrophobicContact CG2-CD1 3.88Å; L203-L310 HydrophobicContact CD1-CD1 4.34Å; L203-L310 HydrophobicContact CD2-CB 4Å; T251-L310 HydrophobicContact CG2-CD2 3.95Å; F306-L310 HydrophobicContact CE1-CB 4.46Å; F306-L310 HydrophobicContact CE1-CD2 3.86Å; F306-L310 HydrophobicContact CZ-CD2 4.18Å; F306-L310 VanDerWaalsContact O-CB 3.23Å; F306-L310 WeakPolarHBondContact O-CB 3.39Å; F306-L310 PolarHBondContact O-N 2.91Å; F307-L310 PolarHBondContact O-N 2.69Å; M308-L310 VanDerWaalsContact C-N 3.34Å; M308-L310 PolarHBondContact O-N 3.27Å; L310-F313 PolarHBondContact O-N 3.38Å; L310-K314 VanDerWaalsContact O-CB 3.32Å; L310-K314 WeakPolarHBondContact O-CB 3.5Å; L310-K314 PolarHBondContact O-N 3.36Å |
| 311 | S | 96.5 | Very high | 93.5 | Very high | 5 Ų | 5 | 18 Ų | 18 | 4% | 0.035 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.2 | -44.3 | 179.7 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | A254 F307 M308 A309 K314 L315 | A254-S311 WeakPolarHBondContact CB-OG 3.5Å; F307-S311 WeakPolarHBondContact O-CB 3.33Å; F307-S311 PolarHBondContact O-N 2.93Å; F307-S311 PolarHBondContact O-OG 2.68Å; M308-S311 PolarHBondContact O-N 2.89Å; A309-S311 VanDerWaalsContact C-N 3.34Å; S311-K314 PolarHBondContact O-N 3.01Å; S311-L315 WeakPolarHBondContact O-CB 3.43Å; S311-L315 PolarHBondContact O-N 2.89Å |
| 312 | F | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 172.1 | -85.7 | -73.4 | 0 | 0 | 0 | 112.7 | L258 P263 M308 A309 K314 L315 A316 L346 T349 L353 | L258-F312 HydrophobicContact CD2-CD1 4.25Å; L258-F312 HydrophobicContact CD2-CD2 3.42Å; L258-F312 VanDerWaalsContact CD2-CD2 3.42Å; L258-F312 HydrophobicContact CD2-CE1 4.13Å; L258-F312 HydrophobicContact CD2-CE2 3.29Å; L258-F312 HydrophobicContact CD2-CG 3.91Å; L258-F312 HydrophobicContact CD2-CZ 3.67Å; P263-F312 HydrophobicContact CG-CE1 4.48Å; M308-F312 HydrophobicContact CE-CE2 4.21Å; M308-F312 WeakPolarHBondContact O-CD2 3.4Å; M308-F312 PolarHBondContact O-N 2.89Å; M308-F312 VanDerWaalsContact O-N 3.09Å; A309-F312 PolarHBondContact O-N 3.02Å; F312-K314 PolarHBondContact O-N 3.28Å; F312-L315 PolarHBondContact O-N 2.85Å; F312-A316 WeakPolarHBondContact O-CB 3.37Å; F312-A316 PolarHBondContact O-N 2.83Å; F312-L346 HydrophobicContact CD1-CB 4.41Å; F312-L346 HydrophobicContact CD1-CD2 3.78Å; F312-L346 HydrophobicContact CE1-CD2 3.89Å; F312-T349 HydrophobicContact CD1-CG2 4.19Å; F312-T349 HydrophobicContact CD2-CG2 4.3Å; F312-T349 HydrophobicContact CE1-CG2 3.72Å; F312-T349 HydrophobicContact CE2-CG2 3.84Å; F312-T349 HydrophobicContact CG-CG2 4.47Å; F312-T349 HydrophobicContact CZ-CG2 3.53Å; F312-L353 HydrophobicContact CD2-CD1 3.7Å; F312-L353 HydrophobicContact CE2-CD1 3.36Å; F312-L353 HydrophobicContact CZ-CD1 4.38Å |
| 313 | F | 97.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 176.5 | -178.5 | -117.7 | 0 | 0 | 0 | 112 | W181 M196 L199 L203 A309 L310 A316 G317 | W181-F313 HydrophobicContact CB-CD1 3.84Å; W181-F313 HydrophobicContact CB-CE1 3.49Å; W181-F313 VanDerWaalsContact CB-CE1 3.49Å; W181-F313 HydrophobicContact CB-CZ 4.36Å; M196-F313 HydrophobicContact CE-CD2 3.58Å; M196-F313 HydrophobicContact CE-CE2 3.37Å; M196-F313 HydrophobicContact CE-CZ 4.31Å; M196-F313 HydrophobicContact SD-CD2 3.78Å; M196-F313 HydrophobicContact SD-CE2 4Å; L199-F313 HydrophobicContact CB-CD2 4.41Å; L199-F313 HydrophobicContact CD2-CB 3.74Å; L199-F313 HydrophobicContact CD2-CD2 3.99Å; L199-F313 HydrophobicContact CD2-CG 4.32Å; L199-F313 HydrophobicContact CG-CB 4.12Å; L199-F313 HydrophobicContact CG-CD2 4.05Å; L199-F313 HydrophobicContact CG-CG 4.38Å; L203-F313 HydrophobicContact CD1-CB 3.63Å; L203-F313 HydrophobicContact CD1-CD1 3.61Å; L203-F313 HydrophobicContact CD1-CD2 4.36Å; L203-F313 HydrophobicContact CD1-CE1 4.33Å; L203-F313 HydrophobicContact CD1-CG 3.62Å; A309-F313 VanDerWaalsContact O-CB 3.31Å; A309-F313 WeakPolarHBondContact O-CB 3.44Å; A309-F313 PolarHBondContact O-N 3.01Å; L310-F313 PolarHBondContact O-N 3.38Å; F313-A316 PolarHBondContact O-N 3.31Å; F313-G317 PolarHBondContact O-N 3.31Å |
| 314 | K | 95.3 | Very high | 93.3 | Very high | 22 Ų | 22 | 17.4 Ų | 17.4 | 10% | 0.096 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.6 | -47.8 | 174.7 | 169.6 | 171.7 | 172.4 | -164.8 | 0 | 111.1 | W181 G219 L310 S311 F312 A316 G317 I318 | W181-K314 HydrophobicContact CD2-CB 4.27Å; W181-K314 HydrophobicContact CD2-CG 4.07Å; W181-K314 HydrophobicContact CG-CB 4.38Å; W181-K314 HydrophobicContact CH2-CG 4.16Å; W181-K314 HydrophobicContact CZ2-CD 3.82Å; W181-K314 HydrophobicContact CZ2-CG 3.59Å; G219-K314 PolarHBondContact O-NZ 3.26Å; L310-K314 VanDerWaalsContact O-CB 3.32Å; L310-K314 WeakPolarHBondContact O-CB 3.5Å; L310-K314 PolarHBondContact O-N 3.36Å; S311-K314 PolarHBondContact O-N 3.01Å; F312-K314 PolarHBondContact O-N 3.28Å; K314-A316 PolarHBondContact O-N 3.01Å; K314-G317 PolarHBondContact O-N 3.4Å; K314-I318 HydrophobicContact CG-CD1 3.91Å; K314-I318 WeakPolarHBondContact O-CG1 3.42Å; K314-I318 PolarHBondContact O-N 2.87Å |
| 315 | L | 93.3 | Very high | 92.7 | Very high | 35 Ų | 35 | 21.9 Ų | 21.9 | 18% | 0.183 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65 | -38.6 | -179.4 | -170.3 | 60 | 0 | 0 | 0 | 112.7 | L258 W262 S311 F312 I318 S319 L346 | L258-L315 HydrophobicContact CD1-CD2 4.18Å; W262-L315 HydrophobicContact CH2-CD2 3.79Å; W262-L315 HydrophobicContact CZ3-CD2 3.58Å; S311-L315 WeakPolarHBondContact O-CB 3.43Å; S311-L315 PolarHBondContact O-N 2.89Å; F312-L315 PolarHBondContact O-N 2.85Å; L315-I318 PolarHBondContact O-N 3.07Å; L315-S319 WeakPolarHBondContact O-CB 3.25Å; L315-S319 PolarHBondContact O-N 3.08Å; L315-S319 PolarHBondContact O-OG 3.47Å; L315-L346 HydrophobicContact CB-CD1 4.36Å; L315-L346 HydrophobicContact CD2-CD1 4.14Å; L315-L346 HydrophobicContact CD2-CD2 3.85Å; L315-L346 HydrophobicContact CG-CD1 3.83Å; L315-L346 HydrophobicContact CG-CD2 4.41Å |
| 316 | A | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M196 F312 F313 K314 S319 Q320 V343 L346 | M196-A316 HydrophobicContact CE-CB 4.07Å; M196-A316 HydrophobicContact SD-CB 3.56Å; M196-A316 VanDerWaalsContact SD-CB 3.56Å; F312-A316 WeakPolarHBondContact O-CB 3.37Å; F312-A316 PolarHBondContact O-N 2.83Å; F313-A316 PolarHBondContact O-N 3.31Å; K314-A316 PolarHBondContact O-N 3.01Å; A316-S319 PolarHBondContact O-N 3.28Å; A316-Q320 PolarHBondContact O-N 3.49Å; A316-V343 HydrophobicContact CB-CG1 4.29Å; A316-L346 HydrophobicContact CB-CB 3.91Å |
| 317 | G | 93.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F313 K314 Q320 G321 | F313-G317 PolarHBondContact O-N 3.31Å; K314-G317 PolarHBondContact O-N 3.4Å; G317-Q320 PolarHBondContact O-N 2.9Å; G317-G321 PolarHBondContact O-N 2.88Å |
| 318 | I | 89.4 | Confident | 90.9 | Very high | 58 Ų | 58 | 33.8 Ų | 33.8 | 30% | 0.297 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 173.9 | -68.3 | 167.5 | 0 | 0 | 0 | 110.3 | W181 K314 L315 Q320 G321 V322 | W181-I318 HydrophobicContact CH2-CD1 3.85Å; W181-I318 HydrophobicContact CH2-CG1 3.43Å; W181-I318 VanDerWaalsContact CH2-CG1 3.43Å; W181-I318 HydrophobicContact CZ2-CD1 4.46Å; W181-I318 HydrophobicContact CZ2-CG1 4.43Å; W181-I318 HydrophobicContact CZ3-CD1 4.33Å; W181-I318 HydrophobicContact CZ3-CG1 3.47Å; W181-I318 VanDerWaalsContact CZ3-CG1 3.47Å; K314-I318 HydrophobicContact CG-CD1 3.91Å; K314-I318 WeakPolarHBondContact O-CG1 3.42Å; K314-I318 PolarHBondContact O-N 2.87Å; L315-I318 PolarHBondContact O-N 3.07Å; I318-Q320 VanDerWaalsContact C-N 3.31Å; I318-Q320 PolarHBondContact O-N 3.47Å; I318-G321 PolarHBondContact O-N 3.5Å; I318-G321 VanDerWaalsContact O-N 3.12Å; I318-V322 WeakPolarHBondContact O-CG2 3.37Å; I318-V322 PolarHBondContact O-N 2.85Å |
| 319 | S | 90.2 | Very high | 89.9 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 179 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | L315 A316 V322 Y323 T339 T342 | L315-S319 WeakPolarHBondContact O-CB 3.25Å; L315-S319 PolarHBondContact O-N 3.08Å; L315-S319 PolarHBondContact O-OG 3.47Å; A316-S319 PolarHBondContact O-N 3.28Å; S319-V322 PolarHBondContact O-N 3.4Å; S319-Y323 PolarHBondContact O-N 3.39Å; S319-T339 PolarHBondContact O-OG1 3.08Å; S319-T342 VanDerWaalsContact CB-OG1 3.28Å; S319-T342 WeakPolarHBondContact CB-OG1 3.18Å; S319-T342 PolarHBondContact OG-OG1 3.44Å |
| 320 | Q | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 175.1 | -175.6 | 57 | 60.7 | 0 | 0 | 111.9 | Y185 S188 H190 A316 G317 I318 Y323 R324 V343 | Y185-Q320 HydrophobicContact CD2-CB 3.94Å; Y185-Q320 HydrophobicContact CD2-CG 3.74Å; Y185-Q320 HydrophobicContact CE2-CB 4.2Å; Y185-Q320 HydrophobicContact CE2-CG 3.81Å; S188-Q320 PolarHBondContact O-NE2 3.47Å; S188-Q320 WeakPolarHBondContact OG-CG 3.42Å; H190-Q320 PolarHBondContact ND1-NE2 3.33Å; A316-Q320 PolarHBondContact O-N 3.49Å; G317-Q320 PolarHBondContact O-N 2.9Å; I318-Q320 VanDerWaalsContact C-N 3.31Å; I318-Q320 PolarHBondContact O-N 3.47Å; Q320-Y323 PolarHBondContact O-N 3.2Å; Q320-R324 WeakPolarHBondContact O-CB 3.46Å; Q320-R324 PolarHBondContact O-N 3.24Å; Q320-V343 HydrophobicContact CB-CG1 4.24Å; Q320-V343 HydrophobicContact CB-CG2 4.01Å |
| 321 | G | 88.6 | Confident | 87.2 | Confident | 23 Ų | 23 | 45.4 Ų | 45.4 | 24% | 0.237 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.5 | -38.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G317 I318 R325 | G317-G321 PolarHBondContact O-N 2.88Å; I318-G321 PolarHBondContact O-N 3.5Å; I318-G321 VanDerWaalsContact O-N 3.12Å; G321-R325 PolarHBondContact O-N 3.3Å; G321-R325 PolarHBondContact O-NE 2.75Å |
| 322 | V | 85.3 | Confident | 85.5 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 16% | 0.164 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 171.3 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | I318 S319 R324 R325 Y326 T339 | I318-V322 WeakPolarHBondContact O-CG2 3.37Å; I318-V322 PolarHBondContact O-N 2.85Å; S319-V322 PolarHBondContact O-N 3.4Å; V322-R324 VanDerWaalsContact C-N 3.33Å; V322-R324 PolarHBondContact O-N 3.22Å; V322-R325 WeakPolarHBondContact O-CB 3.39Å; V322-R325 PolarHBondContact O-N 3Å; V322-R325 VanDerWaalsContact O-N 3.14Å; V322-Y326 PolarHBondContact O-N 3.12Å; V322-T339 HydrophobicContact CB-CG2 4.36Å; V322-T339 HydrophobicContact CG1-CG2 3.87Å |
| 323 | Y | 87.5 | Confident | 84 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -39.2 | -179.5 | -175.4 | -120.6 | 0 | 0 | 0 | 112.5 | H190 S319 Q320 R325 Y326 L327 T339 A340 | H190-Y323 AromaticContact CD2-CE1 3.78Å; H190-Y323 AromaticContact CE1-CD1 3.47Å; H190-Y323 VanDerWaalsContact CE1-CD1 3.47Å; H190-Y323 WeakPolarHBondContact CE1-CD1 3.42Å; H190-Y323 AromaticContact CE1-CE1 3.36Å; H190-Y323 WeakPolarHBondContact CE1-CE1 3.48Å; H190-Y323 AromaticContact CG-CE1 4Å; H190-Y323 AromaticContact ND1-CD1 3.7Å; H190-Y323 AromaticContact ND1-CE1 3.75Å; H190-Y323 AromaticContact NE2-CD1 3.98Å; H190-Y323 AromaticContact NE2-CE1 3.37Å; H190-Y323 WeakPolarHBondContact NE2-CE1 3.23Å; S319-Y323 PolarHBondContact O-N 3.39Å; Q320-Y323 PolarHBondContact O-N 3.2Å; Y323-R325 VanDerWaalsContact C-N 3.31Å; Y323-R325 PolarHBondContact O-N 3.19Å; Y323-Y326 AromaticContact CD2-CD1 3.95Å; Y323-Y326 HydrophobicContact CD2-CD1 3.95Å; Y323-Y326 AromaticContact CE2-CD1 3.7Å; Y323-Y326 HydrophobicContact CE2-CD1 3.7Å; Y323-Y326 HydrophobicContact CE2-CE1 4.14Å; Y323-Y326 WeakPolarHBondContact O-CB 3.4Å; Y323-Y326 PolarHBondContact O-N 2.88Å; Y323-Y326 VanDerWaalsContact O-N 3.16Å; Y323-L327 HydrophobicContact CD1-CD1 4.09Å; Y323-L327 HydrophobicContact CD1-CG 4.39Å; Y323-L327 HydrophobicContact CE1-CD1 3.68Å; Y323-L327 HydrophobicContact CE1-CD2 4.25Å; Y323-L327 HydrophobicContact CE1-CG 4.01Å; Y323-L327 HydrophobicContact CE2-CD2 4.27Å; Y323-L327 HydrophobicContact CE2-CG 4.35Å; Y323-L327 PolarHBondContact O-N 3.45Å; Y323-T339 WeakPolarHBondContact CB-OG1 3.47Å; Y323-T339 PolarHBondContact N-OG1 3.31Å; Y323-A340 HydrophobicContact CD1-CB 3.99Å; Y323-A340 HydrophobicContact CD2-CB 3.63Å; Y323-A340 HydrophobicContact CE1-CB 3.83Å; Y323-A340 HydrophobicContact CE2-CB 3.49Å; Y323-A340 VanDerWaalsContact CE2-CB 3.49Å; Y323-A340 HydrophobicContact CG-CB 3.88Å |
| 324 | R | 86.6 | Confident | 82.4 | Confident | 86 Ų | 86 | 57.6 Ų | 57.6 | 33% | 0.325 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 175.2 | -177.1 | 62.5 | 170.3 | -179.8 | 3.4 | 112.3 | Q320 V322 Y326 L327 M328 | Q320-R324 WeakPolarHBondContact O-CB 3.46Å; Q320-R324 PolarHBondContact O-N 3.24Å; V322-R324 VanDerWaalsContact C-N 3.33Å; V322-R324 PolarHBondContact O-N 3.22Å; R324-Y326 VanDerWaalsContact C-N 3.34Å; R324-L327 PolarHBondContact O-N 2.89Å; R324-M328 HydrophobicContact CG-CE 4.29Å; R324-M328 HydrophobicContact CG-SD 4.36Å; R324-M328 WeakPolarHBondContact O-CG 3.29Å; R324-M328 PolarHBondContact O-N 3.23Å; R324-M328 VanDerWaalsContact O-N 3.14Å |
| 325 | R | 82.5 | Confident | 81.1 | Confident | 101 Ų | 101 | 61.6 Ų | 61.6 | 38% | 0.381 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 175.2 | -77.7 | -176.6 | -74.6 | 160.7 | -6.6 | 111.9 | G321 V322 Y323 M328 G329 N330 | G321-R325 PolarHBondContact O-N 3.3Å; G321-R325 PolarHBondContact O-NE 2.75Å; V322-R325 WeakPolarHBondContact O-CB 3.39Å; V322-R325 PolarHBondContact O-N 3Å; V322-R325 VanDerWaalsContact O-N 3.14Å; Y323-R325 VanDerWaalsContact C-N 3.31Å; Y323-R325 PolarHBondContact O-N 3.19Å; R325-M328 PolarHBondContact O-N 3.08Å; R325-G329 PolarHBondContact O-N 3.04Å; R325-N330 CarbonylContact O-C 3.2Å; R325-N330 PolarHBondContact O-N 3.39Å |
| 326 | Y | 83.1 | Confident | 80.1 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 33% | 0.333 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59 | -48.2 | 171.1 | 167.7 | -97.8 | 0 | 0 | 0 | 112.1 | V322 Y323 R324 M328 G329 N331 F337 | V322-Y326 PolarHBondContact O-N 3.12Å; Y323-Y326 AromaticContact CD2-CD1 3.95Å; Y323-Y326 HydrophobicContact CD2-CD1 3.95Å; Y323-Y326 AromaticContact CE2-CD1 3.7Å; Y323-Y326 HydrophobicContact CE2-CD1 3.7Å; Y323-Y326 HydrophobicContact CE2-CE1 4.14Å; Y323-Y326 WeakPolarHBondContact O-CB 3.4Å; Y323-Y326 PolarHBondContact O-N 2.88Å; Y323-Y326 VanDerWaalsContact O-N 3.16Å; R324-Y326 VanDerWaalsContact C-N 3.34Å; Y326-M328 PolarHBondContact O-N 3.33Å; Y326-M328 VanDerWaalsContact O-N 3.14Å; Y326-G329 PolarHBondContact O-N 3.21Å; Y326-N331 HydrophobicContact CD2-CB 4.23Å; Y326-F337 HydrophobicContact CD1-CB 3.91Å; Y326-F337 HydrophobicContact CD2-CB 4.14Å; Y326-F337 HydrophobicContact CE1-CB 3.52Å; Y326-F337 HydrophobicContact CE2-CB 3.77Å; Y326-F337 HydrophobicContact CG-CB 4.2Å; Y326-F337 VanDerWaalsContact CZ-CB 3.45Å |
| 327 | L | 84.3 | Confident | 79.1 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 43% | 0.429 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.8 | -26.4 | 176.5 | -68 | 178.2 | 0 | 0 | 0 | 113.5 | H190 Y323 R324 G329 | H190-L327 HydrophobicContact CB-CD1 4.03Å; Y323-L327 HydrophobicContact CD1-CD1 4.09Å; Y323-L327 HydrophobicContact CD1-CG 4.39Å; Y323-L327 HydrophobicContact CE1-CD1 3.68Å; Y323-L327 HydrophobicContact CE1-CD2 4.25Å; Y323-L327 HydrophobicContact CE1-CG 4.01Å; Y323-L327 HydrophobicContact CE2-CD2 4.27Å; Y323-L327 HydrophobicContact CE2-CG 4.35Å; Y323-L327 PolarHBondContact O-N 3.45Å; R324-L327 PolarHBondContact O-N 2.89Å; L327-G329 VanDerWaalsContact C-N 3.34Å |
| 328 | M | 81.7 | Confident | 78.4 | Confident | 124 Ų | 124 | 68.1 Ų | 68.1 | 61% | 0.611 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 0.7 | 176.3 | -69.9 | 175 | 164.5 | 0 | 0 | 113.6 | R324 R325 Y326 N330 | R324-M328 HydrophobicContact CG-CE 4.29Å; R324-M328 HydrophobicContact CG-SD 4.36Å; R324-M328 WeakPolarHBondContact O-CG 3.29Å; R324-M328 PolarHBondContact O-N 3.23Å; R324-M328 VanDerWaalsContact O-N 3.14Å; R325-M328 PolarHBondContact O-N 3.08Å; Y326-M328 PolarHBondContact O-N 3.33Å; Y326-M328 VanDerWaalsContact O-N 3.14Å; M328-N330 VanDerWaalsContact C-N 3.28Å; M328-N330 PolarHBondContact O-N 3.18Å |
| 329 | G | 74.8 | Confident | 78 | Confident | 64 Ų | 64 | 66.8 Ų | 66.8 | 66% | 0.66 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 20.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R325 Y326 L327 | R325-G329 PolarHBondContact O-N 3.04Å; Y326-G329 PolarHBondContact O-N 3.21Å; L327-G329 VanDerWaalsContact C-N 3.34Å |
| 330 | N | 69.5 | Low | 77.6 | Confident | 118 Ų | 118 | 67 Ų | 67 | 63% | 0.631 | 36% | 0.355 | S | S | * | . | trans | -116 | 45.3 | -179.4 | -168.1 | 17.5 | 0 | 0 | 0 | 111.2 | R325 M328 | R325-N330 CarbonylContact O-C 3.2Å; R325-N330 PolarHBondContact O-N 3.39Å; M328-N330 VanDerWaalsContact C-N 3.28Å; M328-N330 PolarHBondContact O-N 3.18Å | ||
| 331 | N | 67.3 | Low | 77.4 | Confident | 67 Ų | 67 | 72.5 Ų | 72.5 | 36% | 0.358 | 38% | 0.384 | S | S | . | . | trans | -81.8 | 144.8 | 179.5 | 57.1 | -43.4 | 0 | 0 | 0 | 111.9 | Y326 S333 | Y326-N331 HydrophobicContact CD2-CB 4.23Å; N331-S333 PolarHBondContact ND2-O 3.22Å | ||
| 332 | S | 61 | Low | 77.4 | Confident | 49 Ų | 49 | 72.9 Ų | 72.9 | 34% | 0.343 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -91 | -17.1 | 175.6 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | Q51 | Q51-S332 VanDerWaalsContact CD-O 3.26Å; Q51-S332 PolarHBondContact NE2-O 2.88Å; Q51-S332 PolarHBondContact OE1-O 3.29Å; Q51-S332 PolarHBondContact OE1-OG 3.45Å |
| 333 | S | 65.8 | Low | 77.8 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 26% | 0.259 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -138.8 | 153.4 | 177 | 68.4 | 0 | 0 | 0 | 0 | 112.5 | N331 D335 S336 | N331-S333 PolarHBondContact ND2-O 3.22Å; S333-D335 PolarHBondContact O-N 3.45Å; S333-S336 WeakPolarHBondContact O-CB 3.5Å; S333-S336 PolarHBondContact O-N 3.17Å; S333-S336 PolarHBondContact O-OG 3.21Å; S333-S336 VanDerWaalsContact O-OG 3.07Å; S333-S336 PolarHBondContact OG-N 3.33Å; S333-S336 PolarHBondContact OG-OG 2.95Å |
| 334 | E | 63.4 | Low | 78.2 | Confident | 175 Ų | 175 | 73.9 Ų | 73.9 | 82% | 0.818 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -61.9 | -33 | 173.2 | -68.7 | -176.1 | 169.4 | 0 | 0 | 111.8 | S336 F337 | E334-S336 VanDerWaalsContact C-N 3.27Å; E334-S336 PolarHBondContact O-N 3.06Å; E334-F337 VanDerWaalsContact O-CD1 3.27Å; E334-F337 WeakPolarHBondContact O-CD1 3.44Å |
| 335 | D | 68.6 | Low | 78.6 | Confident | 106 Ų | 106 | 70.9 Ų | 70.9 | 57% | 0.567 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -80.1 | 0.4 | -179.3 | -65.4 | -35.1 | 0 | 0 | 0 | 114.6 | S333 F337 L338 | S333-D335 PolarHBondContact O-N 3.45Å; D335-F337 PolarHBondContact O-N 2.97Å; D335-L338 HydrophobicContact CB-CD1 4.15Å; D335-L338 WeakPolarHBondContact O-CB 3.28Å; D335-L338 PolarHBondContact O-N 3.1Å |
| 336 | S | 73.2 | Confident | 79.2 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 3% | 0.028 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -59.7 | -18.8 | -177.1 | -69.6 | 0 | 0 | 0 | 0 | 113.8 | S333 E334 L338 T339 | S333-S336 WeakPolarHBondContact O-CB 3.5Å; S333-S336 PolarHBondContact O-N 3.17Å; S333-S336 PolarHBondContact O-OG 3.21Å; S333-S336 VanDerWaalsContact O-OG 3.07Å; S333-S336 PolarHBondContact OG-N 3.33Å; S333-S336 PolarHBondContact OG-OG 2.95Å; E334-S336 VanDerWaalsContact C-N 3.27Å; E334-S336 PolarHBondContact O-N 3.06Å; S336-L338 VanDerWaalsContact C-N 3.33Å; S336-T339 PolarHBondContact O-OG1 3.45Å |
| 337 | F | 74.1 | Confident | 79.8 | Confident | 90 Ų | 90 | 62.1 Ų | 62.1 | 40% | 0.395 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -70.4 | -28.3 | 174.7 | 75.8 | -85.3 | 0 | 0 | 0 | 113 | Y326 E334 D335 T339 A340 | Y326-F337 HydrophobicContact CD1-CB 3.91Å; Y326-F337 HydrophobicContact CD2-CB 4.14Å; Y326-F337 HydrophobicContact CE1-CB 3.52Å; Y326-F337 HydrophobicContact CE2-CB 3.77Å; Y326-F337 HydrophobicContact CG-CB 4.2Å; Y326-F337 VanDerWaalsContact CZ-CB 3.45Å; E334-F337 VanDerWaalsContact O-CD1 3.27Å; E334-F337 WeakPolarHBondContact O-CD1 3.44Å; D335-F337 PolarHBondContact O-N 2.97Å; F337-T339 PolarHBondContact O-N 3.4Å; F337-A340 WeakPolarHBondContact O-CB 3.49Å; F337-A340 PolarHBondContact O-N 3.24Å |
| 338 | L | 78.6 | Confident | 80.4 | Confident | 82 Ų | 82 | 61.8 Ų | 61.8 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -66.1 | -21.4 | -178 | -66.5 | 173.6 | 0 | 0 | 0 | 112.2 | D335 S336 A340 N341 | D335-L338 HydrophobicContact CB-CD1 4.15Å; D335-L338 WeakPolarHBondContact O-CB 3.28Å; D335-L338 PolarHBondContact O-N 3.1Å; S336-L338 VanDerWaalsContact C-N 3.33Å; L338-A340 PolarHBondContact O-N 3.14Å; L338-N341 PolarHBondContact O-N 2.86Å |
| 339 | T | 79.6 | Confident | 81 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 18% | 0.178 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -68.9 | -13.5 | 178.8 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | S319 V322 Y323 S336 F337 N341 T342 V343 | S319-T339 PolarHBondContact O-OG1 3.08Å; V322-T339 HydrophobicContact CB-CG2 4.36Å; V322-T339 HydrophobicContact CG1-CG2 3.87Å; Y323-T339 WeakPolarHBondContact CB-OG1 3.47Å; Y323-T339 PolarHBondContact N-OG1 3.31Å; S336-T339 PolarHBondContact O-OG1 3.45Å; F337-T339 PolarHBondContact O-N 3.4Å; T339-N341 PolarHBondContact O-N 2.79Å; T339-T342 PolarHBondContact O-N 3.29Å; T339-T342 PolarHBondContact O-OG1 2.61Å; T339-V343 WeakPolarHBondContact O-CG2 3.25Å |
| 340 | A | 83.1 | Confident | 82.1 | Confident | 19 Ų | 19 | 53.6 Ų | 53.6 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.8 | -41.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y323 F337 L338 T342 | Y323-A340 HydrophobicContact CD1-CB 3.99Å; Y323-A340 HydrophobicContact CD2-CB 3.63Å; Y323-A340 HydrophobicContact CE1-CB 3.83Å; Y323-A340 HydrophobicContact CE2-CB 3.49Å; Y323-A340 VanDerWaalsContact CE2-CB 3.49Å; Y323-A340 HydrophobicContact CG-CB 3.88Å; F337-A340 WeakPolarHBondContact O-CB 3.49Å; F337-A340 PolarHBondContact O-N 3.24Å; L338-A340 PolarHBondContact O-N 3.14Å; A340-T342 PolarHBondContact O-N 3.43Å |
| 341 | N | 86.8 | Confident | 83.3 | Confident | 115 Ų | 115 | 48.9 Ų | 48.9 | 62% | 0.615 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -79 | -6.4 | -174.7 | -62.5 | -30.8 | 0 | 0 | 0 | 112.6 | L266 L338 T339 P345 | L266-N341 WeakPolarHBondContact CD2-O 3.47Å; L338-N341 PolarHBondContact O-N 2.86Å; T339-N341 PolarHBondContact O-N 2.79Å; N341-P345 WeakPolarHBondContact O-CD 3.47Å |
| 342 | T | 89.3 | Confident | 84.7 | Confident | 31 Ų | 31 | 51.8 Ų | 51.8 | 19% | 0.19 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -93.3 | -28.5 | -179.9 | 67.7 | 0 | 0 | 0 | 0 | 113.3 | L266 S319 T339 A340 Q344 P345 L346 | L266-T342 HydrophobicContact CD1-CG2 4.23Å; L266-T342 HydrophobicContact CD2-CG2 4.11Å; S319-T342 VanDerWaalsContact CB-OG1 3.28Å; S319-T342 WeakPolarHBondContact CB-OG1 3.18Å; S319-T342 PolarHBondContact OG-OG1 3.44Å; T339-T342 PolarHBondContact O-N 3.29Å; T339-T342 PolarHBondContact O-OG1 2.61Å; A340-T342 PolarHBondContact O-N 3.43Å; T342-Q344 PolarHBondContact O-N 3.44Å; T342-P345 WeakPolarHBondContact O-CD 3.28Å; T342-L346 WeakPolarHBondContact O-CB 3.47Å; T342-L346 WeakPolarHBondContact O-CD1 3.41Å; T342-L346 WeakPolarHBondContact O-CG 3.4Å; T342-L346 PolarHBondContact O-N 2.92Å |
| 343 | V | 93.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -51.3 | -171.5 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | Y185 I193 M196 A316 Q320 T339 A347 | Y185-V343 HydrophobicContact CE2-CG1 4.21Å; I193-V343 HydrophobicContact CD1-CB 3.92Å; I193-V343 HydrophobicContact CD1-CG1 3.5Å; M196-V343 HydrophobicContact CG-CG1 4.37Å; A316-V343 HydrophobicContact CB-CG1 4.29Å; Q320-V343 HydrophobicContact CB-CG1 4.24Å; Q320-V343 HydrophobicContact CB-CG2 4.01Å; T339-V343 WeakPolarHBondContact O-CG2 3.25Å; V343-A347 WeakPolarHBondContact O-CB 3.01Å; V343-A347 PolarHBondContact O-N 3.26Å |
| 344 | Q | 95.1 | Very high | 87.5 | Confident | 88 Ų | 88 | 48.2 Ų | 48.2 | 41% | 0.411 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.5 | -50.3 | -175.8 | 173.2 | 174.8 | -8 | 0 | 0 | 112.6 | I193 T342 L346 A347 E348 | I193-Q344 HydrophobicContact CD1-CB 4.48Å; I193-Q344 HydrophobicContact CG2-CB 3.98Å; I193-Q344 HydrophobicContact CG2-CG 4.15Å; T342-Q344 PolarHBondContact O-N 3.44Å; Q344-L346 VanDerWaalsContact C-N 3.31Å; Q344-L346 PolarHBondContact O-N 3.44Å; Q344-A347 PolarHBondContact O-N 3.46Å; Q344-A347 VanDerWaalsContact O-N 3.16Å; Q344-E348 HydrophobicContact CG-CG 4.27Å; Q344-E348 VanDerWaalsContact CG-OE1 3.29Å; Q344-E348 WeakPolarHBondContact CG-OE1 3.42Å; Q344-E348 PolarHBondContact NE2-OE1 3.22Å; Q344-E348 WeakPolarHBondContact O-CG 3.39Å; Q344-E348 PolarHBondContact O-N 3.04Å |
| 345 | P | 94.8 | Very high | 88.7 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 14% | 0.143 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.1 | -39.9 | 177.2 | -29.9 | 38.9 | 0 | 0 | 0 | 113.7 | P263 L266 N341 T342 E348 T349 | P263-P345 HydrophobicContact CB-CB 3.94Å; P263-P345 HydrophobicContact CG-CB 4.26Å; L266-P345 HydrophobicContact CD1-CB 4.13Å; L266-P345 HydrophobicContact CD2-CB 4.06Å; L266-P345 HydrophobicContact CD2-CG 3.89Å; L266-P345 HydrophobicContact CG-CB 3.93Å; L266-P345 HydrophobicContact CG-CG 4.32Å; N341-P345 WeakPolarHBondContact O-CD 3.47Å; T342-P345 WeakPolarHBondContact O-CD 3.28Å; P345-E348 PolarHBondContact O-N 3.16Å; P345-T349 WeakPolarHBondContact O-CB 3.39Å; P345-T349 PolarHBondContact O-N 3.33Å; P345-T349 PolarHBondContact O-OG1 2.86Å; P345-T349 VanDerWaalsContact O-OG1 3.1Å |
| 346 | L | 95.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 176.1 | -70.5 | 171.2 | 0 | 0 | 0 | 111.8 | W262 P263 L266 F312 L315 A316 T342 Q344 T349 G350 | W262-L346 HydrophobicContact CH2-CD2 4.25Å; W262-L346 HydrophobicContact CZ3-CD2 4.24Å; P263-L346 HydrophobicContact CG-CD2 4.06Å; L266-L346 HydrophobicContact CD1-CD2 4.17Å; L266-L346 HydrophobicContact CD1-CG 3.98Å; F312-L346 HydrophobicContact CD1-CB 4.41Å; F312-L346 HydrophobicContact CD1-CD2 3.78Å; F312-L346 HydrophobicContact CE1-CD2 3.89Å; L315-L346 HydrophobicContact CB-CD1 4.36Å; L315-L346 HydrophobicContact CD2-CD1 4.14Å; L315-L346 HydrophobicContact CD2-CD2 3.85Å; L315-L346 HydrophobicContact CG-CD1 3.83Å; L315-L346 HydrophobicContact CG-CD2 4.41Å; A316-L346 HydrophobicContact CB-CB 3.91Å; T342-L346 WeakPolarHBondContact O-CB 3.47Å; T342-L346 WeakPolarHBondContact O-CD1 3.41Å; T342-L346 WeakPolarHBondContact O-CG 3.4Å; T342-L346 PolarHBondContact O-N 2.92Å; Q344-L346 VanDerWaalsContact C-N 3.31Å; Q344-L346 PolarHBondContact O-N 3.44Å; L346-T349 PolarHBondContact O-N 3.04Å; L346-G350 PolarHBondContact O-N 3.4Å |
| 347 | A | 96.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A195 M196 V343 Q344 G350 L351 | A195-A347 HydrophobicContact CB-CB 3.87Å; M196-A347 HydrophobicContact CB-CB 4.5Å; M196-A347 HydrophobicContact CG-CB 3.59Å; M196-A347 HydrophobicContact SD-CB 3.5Å; M196-A347 WeakPolarHBondContact SD-CB 3.47Å; V343-A347 WeakPolarHBondContact O-CB 3.01Å; V343-A347 PolarHBondContact O-N 3.26Å; Q344-A347 PolarHBondContact O-N 3.46Å; Q344-A347 VanDerWaalsContact O-N 3.16Å; A347-G350 PolarHBondContact O-N 3.18Å; A347-L351 WeakPolarHBondContact O-CB 3.32Å; A347-L351 PolarHBondContact O-N 3.21Å |
| 348 | E | 96.6 | Very high | 90.2 | Very high | 76 Ų | 76 | 51.4 Ų | 51.4 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 177.2 | -73.7 | 173.6 | 177.5 | 0 | 0 | 111.6 | A195 Q344 P345 L351 Q352 | A195-E348 HydrophobicContact CB-CG 3.74Å; Q344-E348 HydrophobicContact CG-CG 4.27Å; Q344-E348 VanDerWaalsContact CG-OE1 3.29Å; Q344-E348 WeakPolarHBondContact CG-OE1 3.42Å; Q344-E348 PolarHBondContact NE2-OE1 3.22Å; Q344-E348 WeakPolarHBondContact O-CG 3.39Å; Q344-E348 PolarHBondContact O-N 3.04Å; P345-E348 PolarHBondContact O-N 3.16Å; E348-L351 PolarHBondContact O-N 2.94Å; E348-Q352 VanDerWaalsContact O-CG 3.27Å; E348-Q352 WeakPolarHBondContact O-CG 3.36Å; E348-Q352 PolarHBondContact O-N 3.27Å |
| 349 | T | 95.3 | Very high | 90.1 | Very high | 16 Ų | 16 | 55.6 Ų | 55.6 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 175.4 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | Y261 P263 F312 P345 L346 L351 Q352 L353 | Y261-T349 WeakPolarHBondContact O-CG2 3.22Å; P263-T349 WeakPolarHBondContact CG-OG1 3.49Å; F312-T349 HydrophobicContact CD1-CG2 4.19Å; F312-T349 HydrophobicContact CD2-CG2 4.3Å; F312-T349 HydrophobicContact CE1-CG2 3.72Å; F312-T349 HydrophobicContact CE2-CG2 3.84Å; F312-T349 HydrophobicContact CG-CG2 4.47Å; F312-T349 HydrophobicContact CZ-CG2 3.53Å; P345-T349 WeakPolarHBondContact O-CB 3.39Å; P345-T349 PolarHBondContact O-N 3.33Å; P345-T349 PolarHBondContact O-OG1 2.86Å; P345-T349 VanDerWaalsContact O-OG1 3.1Å; L346-T349 PolarHBondContact O-N 3.04Å; T349-L351 VanDerWaalsContact C-N 3.3Å; T349-L351 PolarHBondContact O-N 2.96Å; T349-Q352 PolarHBondContact O-N 2.91Å; T349-L353 HydrophobicContact CG2-CD1 4.11Å; T349-L353 HydrophobicContact CG2-CG 4.45Å; T349-L353 WeakPolarHBondContact O-CG 3.4Å; T349-L353 PolarHBondContact O-N 2.94Å |
| 350 | G | 96.4 | Very high | 90 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.6 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L346 A347 L353 S354 | L346-G350 PolarHBondContact O-N 3.4Å; A347-G350 PolarHBondContact O-N 3.18Å; G350-L353 PolarHBondContact O-N 2.73Å; G350-S354 PolarHBondContact O-N 3.09Å |
| 351 | L | 96.3 | Very high | 89.6 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.7 | -31.2 | 177.1 | -177 | 62.3 | 0 | 0 | 0 | 113.5 | A195 Q198 L199 A347 E348 T349 S354 | A195-L351 HydrophobicContact CB-CD2 4.46Å; Q198-L351 HydrophobicContact CB-CD1 4.16Å; Q198-L351 HydrophobicContact CB-CD2 3.86Å; L199-L351 HydrophobicContact CD1-CB 4.44Å; A347-L351 WeakPolarHBondContact O-CB 3.32Å; A347-L351 PolarHBondContact O-N 3.21Å; E348-L351 PolarHBondContact O-N 2.94Å; T349-L351 VanDerWaalsContact C-N 3.3Å; T349-L351 PolarHBondContact O-N 2.96Å; L351-S354 PolarHBondContact O-OG 3.17Å |
| 352 | Q | 95.3 | Very high | 88.6 | Confident | 128 Ų | 128 | 53.5 Ų | 53.5 | 60% | 0.598 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -69.3 | -45.7 | 173.2 | -74.7 | 170.6 | 0.7 | 0 | 0 | 110.8 | E348 T349 S354 K355 R356 | E348-Q352 VanDerWaalsContact O-CG 3.27Å; E348-Q352 WeakPolarHBondContact O-CG 3.36Å; E348-Q352 PolarHBondContact O-N 3.27Å; T349-Q352 PolarHBondContact O-N 2.91Å; Q352-S354 VanDerWaalsContact C-N 3.29Å; Q352-S354 PolarHBondContact O-N 3.36Å; Q352-K355 PolarHBondContact O-N 2.7Å; Q352-K355 VanDerWaalsContact O-N 3.14Å; Q352-R356 PolarHBondContact O-N 3.33Å |
| 353 | L | 93.3 | Very high | 87.2 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -34.5 | 178.6 | -68.6 | 174.9 | 0 | 0 | 0 | 112.3 | Y261 M308 F312 T349 G350 K355 R356 L358 | Y261-L353 HydrophobicContact CD1-CD2 3.68Å; Y261-L353 HydrophobicContact CD2-CD1 4.31Å; Y261-L353 HydrophobicContact CD2-CD2 4.42Å; Y261-L353 HydrophobicContact CE1-CD2 3.97Å; Y261-L353 HydrophobicContact CG-CD1 4.03Å; Y261-L353 HydrophobicContact CG-CD2 3.92Å; M308-L353 HydrophobicContact CB-CD1 4.35Å; M308-L353 HydrophobicContact CE-CD1 4.16Å; F312-L353 HydrophobicContact CD2-CD1 3.7Å; F312-L353 HydrophobicContact CE2-CD1 3.36Å; F312-L353 HydrophobicContact CZ-CD1 4.38Å; T349-L353 HydrophobicContact CG2-CD1 4.11Å; T349-L353 HydrophobicContact CG2-CG 4.45Å; T349-L353 WeakPolarHBondContact O-CG 3.4Å; T349-L353 PolarHBondContact O-N 2.94Å; G350-L353 PolarHBondContact O-N 2.73Å; L353-K355 PolarHBondContact O-N 2.97Å; L353-K355 VanDerWaalsContact O-N 3.15Å; L353-R356 PolarHBondContact O-N 3.31Å; L353-R356 VanDerWaalsContact O-N 3.16Å; L353-L358 HydrophobicContact CD2-CD1 4.32Å; L353-L358 HydrophobicContact CD2-CD2 4.2Å |
| 354 | S | 92.8 | Very high | 85.5 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 5% | 0.049 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -23.8 | 176.1 | 80.8 | 0 | 0 | 0 | 0 | 113.5 | W202 G350 L351 Q352 | W202-S354 WeakPolarHBondContact CZ2-O 3.49Å; G350-S354 PolarHBondContact O-N 3.09Å; L351-S354 PolarHBondContact O-OG 3.17Å; Q352-S354 VanDerWaalsContact C-N 3.29Å; Q352-S354 PolarHBondContact O-N 3.36Å |
| 355 | K | 89.8 | Confident | 83.2 | Confident | 143 Ų | 143 | 63.5 Ų | 63.5 | 62% | 0.622 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -6.4 | 179.7 | -61 | 173.8 | -174.1 | 174.9 | 0 | 113.7 | Q352 L353 | Q352-K355 PolarHBondContact O-N 2.7Å; Q352-K355 VanDerWaalsContact O-N 3.14Å; L353-K355 PolarHBondContact O-N 2.97Å; L353-K355 VanDerWaalsContact O-N 3.15Å |
| 356 | R | 87.4 | Confident | 81.2 | Confident | 142 Ų | 142 | 67.7 Ų | 67.7 | 54% | 0.536 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -89.4 | 149.2 | -173.9 | -169.5 | 172.4 | -177.8 | 172.3 | 0.7 | 111 | N305 Q352 L353 L358 | N305-R356 PolarHBondContact ND2-O 2.96Å; Q352-R356 PolarHBondContact O-N 3.33Å; L353-R356 PolarHBondContact O-N 3.31Å; L353-R356 VanDerWaalsContact O-N 3.16Å; R356-L358 HydrophobicContact CG-CD2 4.23Å; R356-L358 PolarHBondContact O-N 3.07Å |
| 357 | T | 79.5 | Confident | 79 | Confident | 131 Ų | 131 | 70.2 Ų | 70.2 | 80% | 0.804 | 37% | 0.365 | S | S | * | . | trans | -81 | 102.6 | 165.7 | -49.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 358 | L | 78.8 | Confident | 76.8 | Confident | 25 Ų | 25 | 78.7 Ų | 78.7 | 13% | 0.131 | 40% | 0.402 | C | S | . | . | trans | -91.5 | 143.5 | 170.6 | -61.1 | -179.3 | 0 | 0 | 0 | 109.9 | Y261 N305 M308 L353 R356 | Y261-L358 HydrophobicContact CE1-CD2 4.21Å; Y261-L358 WeakPolarHBondContact OH-CD2 3.37Å; N305-L358 VanDerWaalsContact OD1-CB 3.31Å; N305-L358 WeakPolarHBondContact OD1-CB 3.42Å; N305-L358 WeakPolarHBondContact OD1-CD1 3.5Å; N305-L358 VanDerWaalsContact OD1-CG 3.28Å; N305-L358 WeakPolarHBondContact OD1-CG 3.46Å; M308-L358 HydrophobicContact CG-CD1 4.16Å; L353-L358 HydrophobicContact CD2-CD1 4.32Å; L353-L358 HydrophobicContact CD2-CD2 4.2Å; R356-L358 HydrophobicContact CG-CD2 4.23Å; R356-L358 PolarHBondContact O-N 3.07Å | ||
| 359 | R | 76.1 | Confident | 74.7 | Confident | 171 Ų | 171 | 76.9 Ų | 76.9 | 65% | 0.645 | 40% | 0.397 | S | S | * | . | trans | -103.4 | 142.5 | 170.1 | -64.2 | -178.4 | -178.8 | -179.5 | -0.3 | 107.9 | ||||
| 360 | T | 78.1 | Confident | 73.3 | Confident | 7 Ų | 7 | 80.6 Ų | 80.6 | 4% | 0.043 | 41% | 0.414 | C | S | . | . | trans | -111.7 | -14.1 | 174.5 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | I288 P299 N300 L301 W304 | I288-T360 HydrophobicContact CD1-CG2 4.13Å; P299-T360 VanDerWaalsContact O-CB 3.26Å; P299-T360 WeakPolarHBondContact O-CB 3.27Å; P299-T360 PolarHBondContact O-OG1 3.33Å; N300-T360 WeakPolarHBondContact CA-OG1 3.17Å; L301-T360 HydrophobicContact CB-CG2 4.17Å; L301-T360 PolarHBondContact N-OG1 2.84Å; L301-T360 VanDerWaalsContact N-OG1 3.13Å; W304-T360 HydrophobicContact CB-CG2 3.62Å; W304-T360 HydrophobicContact CD2-CG2 4.15Å; W304-T360 HydrophobicContact CG-CG2 3.5Å | ||
| 361 | T | 74.9 | Confident | 71.8 | Confident | 59 Ų | 59 | 82 Ų | 82 | 36% | 0.362 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -92 | 135.8 | 174.3 | 47.3 | 0 | 0 | 0 | 0 | 110.2 | P299 N300 | P299-T361 HydrophobicContact CB-CG2 4.32Å; P299-T361 HydrophobicContact CG-CG2 4.24Å; N300-T361 HydrophobicContact CB-CG2 4.25Å |
| 362 | P | 65.1 | Low | 70.7 | Confident | 52 Ų | 52 | 86.3 Ų | 86.3 | 34% | 0.338 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 142.4 | 174.9 | -24 | 32.1 | 0 | 0 | 0 | 110.6 | E285 | E285-P362 HydrophobicContact CB-CB 4.37Å; E285-P362 HydrophobicContact CB-CG 4.2Å |
| 363 | P | 61.2 | Low | 69.7 | Low | 60 Ų | 60 | 81 Ų | 81 | 39% | 0.39 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 151.3 | 167.4 | 23.3 | -29.9 | 0 | 0 | 0 | 110 | A365 | P363-A365 PolarHBondContact O-N 3.49Š|
| 364 | Q | 56.3 | Low | 69 | Low | 197 Ų | 197 | 81.7 Ų | 81.7 | 92% | 0.921 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -48.2 | 121.3 | 169.5 | -104.4 | 179 | -9.1 | 0 | 0 | 108 | D366 | Q364-D366 PolarHBondContact O-N 3.41Š|
| 365 | A | 48.2 | Very low | 68.6 | Low | 73 Ų | 73 | 82.9 Ų | 82.9 | 60% | 0.603 | 43% | 0.429 | S | S | * | . | trans | -54.6 | 106.5 | -161.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P363 | P363-A365 PolarHBondContact O-N 3.49Š| ||
| 366 | D | 51.1 | Low | 68.4 | Low | 109 Ų | 109 | 85.4 Ų | 85.4 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | trans | -79 | 131.2 | 158.8 | -155.7 | -6.7 | 0 | 0 | 0 | 105.9 | Q364 K368 S369 | Q364-D366 PolarHBondContact O-N 3.41Å; D366-K368 PolarHBondContact O-N 3.07Å; D366-S369 PolarHBondContact O-N 2.67Å; D366-S369 PolarHBondContact O-OG 3.21Å | ||
| 367 | A | 50.6 | Low | 68.5 | Low | 56 Ų | 56 | 84.9 Ų | 84.9 | 46% | 0.463 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -12.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 368 | K | 49.2 | Very low | 69.1 | Low | 178 Ų | 178 | 78.7 Ų | 78.7 | 77% | 0.774 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -14.5 | 179.7 | -63.5 | -177 | 179.8 | -179.9 | 0 | 114.8 | D366 | D366-K368 PolarHBondContact O-N 3.07Š|
| 369 | S | 53.9 | Low | 69.8 | Low | 38 Ų | 38 | 81.3 Ų | 81.3 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -116 | 26.7 | -171.5 | 74.8 | 0 | 0 | 0 | 0 | 113.9 | D366 | D366-S369 PolarHBondContact O-N 2.67Å; D366-S369 PolarHBondContact O-OG 3.21Å |
| 370 | Q | 64.4 | Low | 70.7 | Confident | 94 Ų | 94 | 77.8 Ų | 77.8 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | trans | -96.4 | 137.8 | -179.7 | -64.8 | -177.7 | -1.3 | 0 | 0 | 111 | E286 F372 A373 | E286-Q370 WeakPolarHBondContact OE1-CA 3.46Å; Q370-F372 PolarHBondContact O-N 3.21Å; Q370-F372 VanDerWaalsContact O-N 3.1Å; Q370-A373 WeakPolarHBondContact O-CB 3.29Å; Q370-A373 PolarHBondContact O-N 3.29Å | ||
| 371 | L | 66 | Low | 71.6 | Confident | 30 Ų | 30 | 78.2 Ų | 78.2 | 16% | 0.157 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -34.1 | 174.8 | -171.9 | 62.3 | 0 | 0 | 0 | 114.8 | A141 V145 P282 E286 I290 | A141-L371 HydrophobicContact CB-CD1 3.55Å; A141-L371 HydrophobicContact CB-CG 3.93Å; V145-L371 HydrophobicContact CG2-CD2 3.55Å; P282-L371 HydrophobicContact CB-CD1 3.83Å; P282-L371 HydrophobicContact CG-CD1 4.4Å; E286-L371 PolarHBondContact OE1-N 3.38Å; I290-L371 HydrophobicContact CD1-CD2 3.82Å |
| 372 | F | 72.8 | Confident | 72.7 | Confident | 108 Ų | 108 | 76.2 Ų | 76.2 | 47% | 0.474 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 57.2 | 173.9 | -61.5 | -71 | 0 | 0 | 0 | 110.5 | A141 Q370 Q374 V446 | A141-F372 HydrophobicContact CB-CE1 4.34Å; Q370-F372 PolarHBondContact O-N 3.21Å; Q370-F372 VanDerWaalsContact O-N 3.1Å; F372-Q374 PolarHBondContact O-N 3.32Å; F372-V446 HydrophobicContact CB-CG1 4.13Å; F372-V446 HydrophobicContact CD1-CG2 4.2Å |
| 373 | A | 73.8 | Confident | 74.2 | Confident | 17 Ų | 17 | 77.9 Ų | 77.9 | 14% | 0.14 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 131.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q370 | Q370-A373 WeakPolarHBondContact O-CB 3.29Å; Q370-A373 PolarHBondContact O-N 3.29Å |
| 374 | Q | 78.7 | Confident | 76 | Confident | 18 Ų | 18 | 80 Ų | 80 | 8% | 0.084 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 136.2 | 168.5 | -162.3 | 172.4 | 44.2 | 0 | 0 | 109.9 | F372 G378 Q379 D447 L450 | F372-Q374 PolarHBondContact O-N 3.32Å; Q374-G378 PolarHBondContact NE2-O 2.92Å; Q374-Q379 HydrophobicContact CB-CG 3.95Å; Q374-Q379 HydrophobicContact CG-CG 4.08Å; Q374-Q379 PolarHBondContact O-NE2 3.07Å; Q374-Q379 VanDerWaalsContact OE1-CA 3.26Å; Q374-D447 HydrophobicContact CG-CB 4.37Å; Q374-D447 VanDerWaalsContact CG-OD1 3.24Å; Q374-D447 WeakPolarHBondContact CG-OD1 3.34Å; Q374-D447 PolarHBondContact NE2-O 3.09Å; Q374-L450 HydrophobicContact CB-CD1 3.92Å; Q374-L450 HydrophobicContact CG-CD1 4.24Å |
| 375 | S | 84.8 | Confident | 78 | Confident | 33 Ų | 33 | 70.6 Ų | 70.6 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 159 | 173.1 | 72.2 | 0 | 0 | 0 | 0 | 110.8 | R377 G378 Q379 D447 | S375-R377 PolarHBondContact O-N 3.14Å; S375-G378 PolarHBondContact O-N 3.25Å; S375-G378 PolarHBondContact OG-N 3.36Å; S375-Q379 WeakPolarHBondContact O-CG 3.48Å; S375-Q379 PolarHBondContact O-N 3.31Å; S375-D447 VanDerWaalsContact CB-OD1 3.3Å; S375-D447 WeakPolarHBondContact CB-OD1 3.26Å; S375-D447 PolarHBondContact N-OD1 3.08Å; S375-D447 PolarHBondContact OG-OD1 3.14Å; S375-D447 PolarHBondContact OG-OD2 3.17Å |
| 376 | R | 86.1 | Confident | 80.4 | Confident | 195 Ų | 195 | 71.8 Ų | 71.8 | 74% | 0.736 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -53 | -43.2 | 173.5 | 178.6 | 179.4 | 172.5 | 170.3 | 3.8 | 111.8 | Q379 E380 | R376-Q379 PolarHBondContact O-N 3.45Å; R376-E380 WeakPolarHBondContact CG-OE1 3.1Å; R376-E380 IonicContact CZ-OE1 2.92Å; R376-E380 IonicContact NE-OE1 2.78Å; R376-E380 PolarHBondContact NE-OE1 3.29Å; R376-E380 IonicContact NH2-OE1 3.46Å; R376-E380 WeakPolarHBondContact O-CG 3.45Å; R376-E380 PolarHBondContact O-N 3.19Å |
| 377 | R | 89.2 | Confident | 82.7 | Confident | 132 Ų | 132 | 71.6 Ų | 71.6 | 50% | 0.498 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 176.4 | -176.9 | -176.8 | -178.8 | 165.7 | 5.7 | 111.3 | S375 Q379 E380 V381 S441 G442 L443 | S375-R377 PolarHBondContact O-N 3.14Å; R377-Q379 VanDerWaalsContact C-N 3.33Å; R377-Q379 PolarHBondContact O-N 2.91Å; R377-E380 PolarHBondContact O-N 2.88Å; R377-V381 WeakPolarHBondContact O-CG2 3.16Å; R377-V381 PolarHBondContact O-N 3.45Å; R377-S441 PolarHBondContact NH2-O 3.29Å; R377-G442 PolarHBondContact NH1-O 3.29Å; R377-L443 HydrophobicContact CG-CD2 3.98Å |
| 378 | G | 92.7 | Very high | 85 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q374 S375 V381 L382 | Q374-G378 PolarHBondContact NE2-O 2.92Å; S375-G378 PolarHBondContact O-N 3.25Å; S375-G378 PolarHBondContact OG-N 3.36Å; G378-V381 PolarHBondContact O-N 3.46Å; G378-L382 VanDerWaalsContact O-CB 3.3Å; G378-L382 WeakPolarHBondContact O-CB 3.45Å; G378-L382 PolarHBondContact O-N 2.98Å |
| 379 | Q | 92.6 | Very high | 87.3 | Confident | 80 Ų | 80 | 60.5 Ų | 60.5 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 176.5 | -67.2 | 173.6 | 17.1 | 0 | 0 | 112.2 | Q374 S375 R376 R377 L382 T383 | Q374-Q379 HydrophobicContact CB-CG 3.95Å; Q374-Q379 HydrophobicContact CG-CG 4.08Å; Q374-Q379 PolarHBondContact O-NE2 3.07Å; Q374-Q379 VanDerWaalsContact OE1-CA 3.26Å; S375-Q379 WeakPolarHBondContact O-CG 3.48Å; S375-Q379 PolarHBondContact O-N 3.31Å; R376-Q379 PolarHBondContact O-N 3.45Å; R377-Q379 VanDerWaalsContact C-N 3.33Å; R377-Q379 PolarHBondContact O-N 2.91Å; Q379-L382 PolarHBondContact O-N 3.29Å; Q379-T383 WeakPolarHBondContact O-CB 3.49Å; Q379-T383 PolarHBondContact O-N 2.81Å; Q379-T383 PolarHBondContact O-OG1 2.92Å |
| 380 | E | 95.3 | Very high | 89.4 | Confident | 97 Ų | 97 | 66.4 Ų | 66.4 | 45% | 0.453 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 175.5 | -73.1 | 168.5 | -174.5 | 0 | 0 | 110.7 | R376 R377 T383 R384 | R376-E380 WeakPolarHBondContact CG-OE1 3.1Å; R376-E380 IonicContact CZ-OE1 2.92Å; R376-E380 IonicContact NE-OE1 2.78Å; R376-E380 PolarHBondContact NE-OE1 3.29Å; R376-E380 IonicContact NH2-OE1 3.46Å; R376-E380 WeakPolarHBondContact O-CG 3.45Å; R376-E380 PolarHBondContact O-N 3.19Å; R377-E380 PolarHBondContact O-N 2.88Å; E380-T383 PolarHBondContact O-N 2.96Å; E380-R384 VanDerWaalsContact O-CG 3.28Å; E380-R384 WeakPolarHBondContact O-CG 3.39Å; E380-R384 PolarHBondContact O-N 3.33Å; E380-R384 VanDerWaalsContact O-N 3.13Å |
| 381 | V | 97.5 | Very high | 91 | Very high | 16 Ų | 16 | 66.7 Ų | 66.7 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 176.7 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | R377 G378 T383 R384 V385 L432 L435 L443 I451 | R377-V381 WeakPolarHBondContact O-CG2 3.16Å; R377-V381 PolarHBondContact O-N 3.45Å; G378-V381 PolarHBondContact O-N 3.46Å; V381-T383 VanDerWaalsContact C-N 3.28Å; V381-T383 PolarHBondContact O-N 2.81Å; V381-R384 WeakPolarHBondContact O-CB 3.47Å; V381-R384 PolarHBondContact O-N 2.66Å; V381-R384 VanDerWaalsContact O-N 3.08Å; V381-V385 HydrophobicContact CG1-CG2 4.19Å; V381-V385 WeakPolarHBondContact O-CG2 3.36Å; V381-V385 PolarHBondContact O-N 3.4Å; V381-L432 HydrophobicContact CG1-CD2 4.26Å; V381-L435 HydrophobicContact CG1-CD1 4.15Å; V381-L435 HydrophobicContact CG1-CD2 3.95Å; V381-L443 HydrophobicContact CG1-CD1 4.18Å; V381-L443 HydrophobicContact CG2-CD2 4.25Å; V381-I451 HydrophobicContact CB-CD1 4.15Å; V381-I451 HydrophobicContact CG1-CD1 3.66Å |
| 382 | L | 96.9 | Very high | 92.6 | Very high | 17 Ų | 17 | 68 Ų | 68 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.7 | -40.6 | 177.5 | 176.5 | 60.9 | 0 | 0 | 0 | 111.7 | G378 Q379 R384 V385 K386 L450 I451 E454 | G378-L382 VanDerWaalsContact O-CB 3.3Å; G378-L382 WeakPolarHBondContact O-CB 3.45Å; G378-L382 PolarHBondContact O-N 2.98Å; Q379-L382 PolarHBondContact O-N 3.29Å; L382-R384 VanDerWaalsContact C-N 3.32Å; L382-R384 PolarHBondContact O-N 3.48Å; L382-V385 PolarHBondContact O-N 3.16Å; L382-K386 HydrophobicContact CD1-CD 4.46Å; L382-K386 HydrophobicContact CD1-CG 4.42Å; L382-K386 HydrophobicContact CG-CD 4.34Å; L382-K386 WeakPolarHBondContact O-CB 3.48Å; L382-K386 WeakPolarHBondContact O-CG 3.4Å; L382-K386 PolarHBondContact O-N 2.87Å; L382-L450 WeakPolarHBondContact CD1-O 3.19Å; L382-L450 HydrophobicContact CD2-CB 4.06Å; L382-I451 HydrophobicContact CB-CG1 4.01Å; L382-I451 HydrophobicContact CD1-CG1 4.03Å; L382-E454 HydrophobicContact CD1-CB 3.97Å; L382-E454 HydrophobicContact CD1-CG 4.47Å |
| 383 | T | 97.9 | Very high | 93.8 | Very high | 88 Ų | 88 | 62.8 Ų | 62.8 | 54% | 0.54 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 176.2 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | Q379 E380 V381 K386 Q387 | Q379-T383 WeakPolarHBondContact O-CB 3.49Å; Q379-T383 PolarHBondContact O-N 2.81Å; Q379-T383 PolarHBondContact O-OG1 2.92Å; E380-T383 PolarHBondContact O-N 2.96Å; V381-T383 VanDerWaalsContact C-N 3.28Å; V381-T383 PolarHBondContact O-N 2.81Å; T383-K386 PolarHBondContact O-N 3.39Å; T383-Q387 PolarHBondContact O-N 3.14Å |
| 384 | R | 98.4 | Very high | 94.9 | Very high | 103 Ų | 103 | 65.2 Ų | 65.2 | 39% | 0.389 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 177 | -65.5 | 171.3 | 69.2 | -155.3 | -1.9 | 112 | E380 V381 L382 Q387 F388 E430 L432 | E380-R384 VanDerWaalsContact O-CG 3.28Å; E380-R384 WeakPolarHBondContact O-CG 3.39Å; E380-R384 PolarHBondContact O-N 3.33Å; E380-R384 VanDerWaalsContact O-N 3.13Å; V381-R384 WeakPolarHBondContact O-CB 3.47Å; V381-R384 PolarHBondContact O-N 2.66Å; V381-R384 VanDerWaalsContact O-N 3.08Å; L382-R384 VanDerWaalsContact C-N 3.32Å; L382-R384 PolarHBondContact O-N 3.48Å; R384-Q387 PolarHBondContact O-N 2.95Å; R384-F388 WeakPolarHBondContact O-CB 3.09Å; R384-F388 PolarHBondContact O-N 3.14Å; R384-E430 PolarHBondContact NH2-O 2.61Å; R384-L432 HydrophobicContact CB-CD2 4.09Å |
| 385 | V | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 174.1 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | V381 L382 Q387 F388 M389 L432 L435 I451 E454 T455 F465 | V381-V385 HydrophobicContact CG1-CG2 4.19Å; V381-V385 WeakPolarHBondContact O-CG2 3.36Å; V381-V385 PolarHBondContact O-N 3.4Å; L382-V385 PolarHBondContact O-N 3.16Å; V385-Q387 VanDerWaalsContact C-N 3.3Å; V385-Q387 PolarHBondContact O-N 3.06Å; V385-F388 PolarHBondContact O-N 2.98Å; V385-M389 HydrophobicContact CG1-CG 4.12Å; V385-M389 WeakPolarHBondContact O-CB 3.46Å; V385-M389 WeakPolarHBondContact O-CG 3.45Å; V385-M389 PolarHBondContact O-N 3.38Å; V385-L432 HydrophobicContact CG2-CD1 4.4Å; V385-L432 HydrophobicContact CG2-CD2 4.09Å; V385-L435 HydrophobicContact CG2-CD1 3.84Å; V385-I451 HydrophobicContact CG1-CG2 4.31Å; V385-I451 HydrophobicContact CG2-CG2 4.04Å; V385-E454 HydrophobicContact CG1-CG 4.25Å; V385-T455 HydrophobicContact CG1-CG2 3.84Å; V385-F465 HydrophobicContact CG1-CE2 4.35Å; V385-F465 HydrophobicContact CG1-CZ 4.11Å |
| 386 | K | 98.5 | Very high | 96.4 | Very high | 98 Ų | 98 | 67.3 Ų | 67.3 | 43% | 0.426 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.8 | -43.5 | 175.2 | -79 | 175.5 | 174.6 | 176.6 | 0 | 112.4 | L382 T383 K390 E454 | L382-K386 HydrophobicContact CD1-CD 4.46Å; L382-K386 HydrophobicContact CD1-CG 4.42Å; L382-K386 HydrophobicContact CG-CD 4.34Å; L382-K386 WeakPolarHBondContact O-CB 3.48Å; L382-K386 WeakPolarHBondContact O-CG 3.4Å; L382-K386 PolarHBondContact O-N 2.87Å; T383-K386 PolarHBondContact O-N 3.39Å; K386-K390 WeakPolarHBondContact O-CB 3.41Å; K386-K390 PolarHBondContact O-N 3.26Å; K386-K390 VanDerWaalsContact O-N 3.11Å; K386-E454 WeakPolarHBondContact CE-OE2 3.4Å; K386-E454 VanDerWaalsContact CG-CD 3.46Å; K386-E454 HydrophobicContact CG-CG 3.68Å |
| 387 | Q | 98.4 | Very high | 96.8 | Very high | 105 Ų | 105 | 61.7 Ų | 61.7 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 177 | -179.8 | 175 | -17.8 | 0 | 0 | 111.3 | T383 R384 V385 M389 K390 Q391 | T383-Q387 PolarHBondContact O-N 3.14Å; R384-Q387 PolarHBondContact O-N 2.95Å; V385-Q387 VanDerWaalsContact C-N 3.3Å; V385-Q387 PolarHBondContact O-N 3.06Å; Q387-M389 PolarHBondContact O-N 2.87Å; Q387-K390 PolarHBondContact O-N 2.97Å; Q387-Q391 HydrophobicContact CG-CG 4.3Å; Q387-Q391 WeakPolarHBondContact O-CB 3.34Å; Q387-Q391 WeakPolarHBondContact O-CG 3.34Å; Q387-Q391 PolarHBondContact O-N 3.3Å |
| 388 | F | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 177 | -171.9 | -77.3 | 0 | 0 | 0 | 111.5 | R384 V385 K390 Q391 H392 V393 I426 A427 L432 V464 F465 | R384-F388 WeakPolarHBondContact O-CB 3.09Å; R384-F388 PolarHBondContact O-N 3.14Å; V385-F388 PolarHBondContact O-N 2.98Å; F388-K390 VanDerWaalsContact C-N 3.3Å; F388-K390 PolarHBondContact O-N 3.34Å; F388-Q391 PolarHBondContact O-N 3.41Å; F388-H392 HydrophobicContact CD1-CB 4.25Å; F388-H392 AromaticContact CD2-CD2 3.76Å; F388-H392 HydrophobicContact CE1-CB 3.94Å; F388-H392 AromaticContact CE2-CD2 3.88Å; F388-H392 HydrophobicContact CZ-CB 4.14Å; F388-H392 WeakPolarHBondContact O-CB 2.93Å; F388-H392 PolarHBondContact O-N 2.91Å; F388-V393 HydrophobicContact CD1-CG2 3.77Å; F388-V393 HydrophobicContact CE1-CG2 3.7Å; F388-V393 PolarHBondContact O-N 3.38Å; F388-I426 HydrophobicContact CE2-CB 4.05Å; F388-I426 HydrophobicContact CE2-CG2 3.66Å; F388-I426 HydrophobicContact CZ-CB 4.25Å; F388-I426 HydrophobicContact CZ-CG2 4.29Å; F388-A427 HydrophobicContact CE1-CB 4.44Å; F388-A427 HydrophobicContact CE2-CB 4.02Å; F388-A427 HydrophobicContact CZ-CB 3.79Å; F388-L432 HydrophobicContact CB-CD1 3.87Å; F388-L432 HydrophobicContact CD2-CD1 3.91Å; F388-L432 HydrophobicContact CG-CD1 4.02Å; F388-V464 HydrophobicContact CE1-CG1 3.69Å; F388-V464 HydrophobicContact CZ-CG1 4.06Å; F388-F465 AromaticContact CD1-CE1 3.68Å; F388-F465 HydrophobicContact CD1-CE1 3.68Å; F388-F465 AromaticContact CD1-CZ 3.52Å; F388-F465 HydrophobicContact CD1-CZ 3.52Å; F388-F465 HydrophobicContact CE1-CE1 4.02Å; F388-F465 HydrophobicContact CE1-CZ 4.02Å; F388-F465 HydrophobicContact CG-CE1 4.07Å; F388-F465 HydrophobicContact CG-CZ 4.2Å |
| 389 | M | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -55.3 | -47 | 176.4 | -71.7 | -69.4 | -69.1 | 0 | 0 | 111 | V385 Q387 V393 F394 E454 C458 A461 F465 | V385-M389 HydrophobicContact CG1-CG 4.12Å; V385-M389 WeakPolarHBondContact O-CB 3.46Å; V385-M389 WeakPolarHBondContact O-CG 3.45Å; V385-M389 PolarHBondContact O-N 3.38Å; Q387-M389 PolarHBondContact O-N 2.87Å; M389-V393 HydrophobicContact CE-CB 4.37Å; M389-V393 HydrophobicContact CE-CG1 3.99Å; M389-V393 PolarHBondContact O-N 3.12Å; M389-V393 HydrophobicContact SD-CB 3.83Å; M389-V393 HydrophobicContact SD-CG1 3.88Å; M389-V393 HydrophobicContact SD-CG2 3.73Å; M389-F394 HydrophobicContact CB-CD2 4.43Å; M389-F394 HydrophobicContact CB-CE2 3.88Å; M389-F394 HydrophobicContact CB-CZ 4.06Å; M389-F394 HydrophobicContact CE-CD1 4.44Å; M389-F394 HydrophobicContact CE-CE1 3.65Å; M389-F394 HydrophobicContact CE-CZ 3.75Å; M389-F394 WeakPolarHBondContact O-CD2 3.36Å; M389-F394 PolarHBondContact O-N 3.3Å; M389-E454 HydrophobicContact CG-CG 4.36Å; M389-C458 HydrophobicContact CE-CB 3.94Å; M389-A461 HydrophobicContact CE-CB 3.75Å; M389-A461 HydrophobicContact SD-CB 3.67Å; M389-F465 HydrophobicContact SD-CE2 3.86Å; M389-F465 HydrophobicContact SD-CZ 4.2Å |
| 390 | K | 98.4 | Very high | 97.1 | Very high | 162 Ų | 162 | 63.6 Ų | 63.6 | 70% | 0.704 | 30% | 0.302 | S | S | * | . | I | π-helix | trans | -67 | -39.8 | 178.6 | -173.7 | 178.7 | 178.3 | -178.7 | 0 | 113.7 | K386 Q387 F388 | K386-K390 WeakPolarHBondContact O-CB 3.41Å; K386-K390 PolarHBondContact O-N 3.26Å; K386-K390 VanDerWaalsContact O-N 3.11Å; Q387-K390 PolarHBondContact O-N 2.97Å; F388-K390 VanDerWaalsContact C-N 3.3Å; F388-K390 PolarHBondContact O-N 3.34Å |
| 391 | Q | 98.1 | Very high | 96.9 | Very high | 101 Ų | 101 | 61.6 Ų | 61.6 | 47% | 0.472 | 30% | 0.302 | S | S | . | . | I | π-helix | trans | -83 | -31.9 | -173.4 | -72.7 | -178.9 | -32.4 | 0 | 0 | 113 | Q387 F388 | Q387-Q391 HydrophobicContact CG-CG 4.3Å; Q387-Q391 WeakPolarHBondContact O-CB 3.34Å; Q387-Q391 WeakPolarHBondContact O-CG 3.34Å; Q387-Q391 PolarHBondContact O-N 3.3Å; F388-Q391 PolarHBondContact O-N 3.41Å |
| 392 | H | 97.9 | Very high | 96.5 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 26% | 0.259 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -127.5 | -44.3 | -166.2 | -59.8 | -64.3 | 0 | 0 | 0 | 113.5 | F388 L423 | F388-H392 HydrophobicContact CD1-CB 4.25Å; F388-H392 AromaticContact CD2-CD2 3.76Å; F388-H392 HydrophobicContact CE1-CB 3.94Å; F388-H392 AromaticContact CE2-CD2 3.88Å; F388-H392 HydrophobicContact CZ-CB 4.14Å; F388-H392 WeakPolarHBondContact O-CB 2.93Å; F388-H392 PolarHBondContact O-N 2.91Å; H392-L423 HydrophobicContact CB-CD2 3.53Å |
| 393 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -79.2 | -56.7 | -173.2 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | F388 M389 P395 A396 E397 C458 F460 A461 | F388-V393 HydrophobicContact CD1-CG2 3.77Å; F388-V393 HydrophobicContact CE1-CG2 3.7Å; F388-V393 PolarHBondContact O-N 3.38Å; M389-V393 HydrophobicContact CE-CB 4.37Å; M389-V393 HydrophobicContact CE-CG1 3.99Å; M389-V393 PolarHBondContact O-N 3.12Å; M389-V393 HydrophobicContact SD-CB 3.83Å; M389-V393 HydrophobicContact SD-CG1 3.88Å; M389-V393 HydrophobicContact SD-CG2 3.73Å; V393-P395 VanDerWaalsContact C-N 3.35Å; V393-A396 WeakPolarHBondContact O-CB 3.42Å; V393-A396 PolarHBondContact O-N 2.99Å; V393-E397 PolarHBondContact O-N 3.48Å; V393-C458 HydrophobicContact CG1-CB 4.1Å; V393-F460 HydrophobicContact CG1-CE2 3.79Å; V393-F460 HydrophobicContact CG1-CZ 3.87Å; V393-A461 HydrophobicContact CG1-CB 3.78Å |
| 394 | F | 98.1 | Very high | 95.6 | Very high | 68 Ų | 68 | 66.9 Ų | 66.9 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | -179.2 | -60.1 | -44.4 | 0 | 0 | 0 | 112.9 | M389 A396 E397 K457 C458 | M389-F394 HydrophobicContact CB-CD2 4.43Å; M389-F394 HydrophobicContact CB-CE2 3.88Å; M389-F394 HydrophobicContact CB-CZ 4.06Å; M389-F394 HydrophobicContact CE-CD1 4.44Å; M389-F394 HydrophobicContact CE-CE1 3.65Å; M389-F394 HydrophobicContact CE-CZ 3.75Å; M389-F394 WeakPolarHBondContact O-CD2 3.36Å; M389-F394 PolarHBondContact O-N 3.3Å; F394-A396 PolarHBondContact O-N 3.45Å; F394-E397 WeakPolarHBondContact O-CB 3.21Å; F394-E397 WeakPolarHBondContact O-CG 3.45Å; F394-E397 PolarHBondContact O-N 2.94Å; F394-K457 HydrophobicContact CE1-CB 4.38Å; F394-K457 HydrophobicContact CZ-CB 4.44Å; F394-C458 HydrophobicContact CD1-CB 4.47Å; F394-C458 HydrophobicContact CE1-CB 4.2Å |
| 395 | P | 97.9 | Very high | 95 | Very high | 88 Ų | 88 | 65.9 Ų | 65.9 | 57% | 0.571 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.5 | -28.3 | 173.8 | -26.9 | 37.9 | 0 | 0 | 0 | 114.5 | V393 | V393-P395 VanDerWaalsContact C-N 3.35Å |
| 396 | A | 96.8 | Very high | 94.2 | Very high | 7 Ų | 7 | 73.3 Ų | 73.3 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -82.7 | -10.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V393 F394 K398 E399 V400 V419 L423 F460 | V393-A396 WeakPolarHBondContact O-CB 3.42Å; V393-A396 PolarHBondContact O-N 2.99Å; F394-A396 PolarHBondContact O-N 3.45Å; A396-K398 VanDerWaalsContact C-N 3.28Å; A396-K398 PolarHBondContact O-N 2.78Å; A396-E399 PolarHBondContact O-N 2.99Å; A396-E399 VanDerWaalsContact O-N 3.16Å; A396-V400 WeakPolarHBondContact O-CG2 3.42Å; A396-V400 PolarHBondContact O-N 2.91Å; A396-V419 HydrophobicContact CB-CG2 3.75Å; A396-L423 HydrophobicContact CB-CD1 3.96Å; A396-F460 HydrophobicContact CB-CZ 4.27Å |
| 397 | E | 95.3 | Very high | 93.1 | Very high | 76 Ų | 76 | 69 Ų | 69 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.3 | -41.9 | -175.8 | -75.3 | -177.4 | 139.5 | 0 | 0 | 113 | V393 F394 V400 A401 C458 F460 | V393-E397 PolarHBondContact O-N 3.48Å; F394-E397 WeakPolarHBondContact O-CB 3.21Å; F394-E397 WeakPolarHBondContact O-CG 3.45Å; F394-E397 PolarHBondContact O-N 2.94Å; E397-V400 PolarHBondContact O-N 3.44Å; E397-A401 VanDerWaalsContact O-CB 3.25Å; E397-A401 WeakPolarHBondContact O-CB 3.3Å; E397-A401 PolarHBondContact O-N 3.49Å; E397-C458 PolarHBondContact OE1-SG 2.82Å; E397-F460 HydrophobicContact CG-CE1 4.03Å; E397-F460 HydrophobicContact CG-CZ 4.33Å |
| 398 | K | 93.7 | Very high | 91.3 | Very high | 147 Ų | 147 | 65.3 Ų | 65.3 | 64% | 0.639 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.8 | -46.3 | 179.5 | -176.3 | 178.2 | 171.3 | -177.2 | 0 | 111.6 | A396 A401 E402 | A396-K398 VanDerWaalsContact C-N 3.28Å; A396-K398 PolarHBondContact O-N 2.78Å; K398-A401 PolarHBondContact O-N 3.23Å; K398-E402 WeakPolarHBondContact CE-OE1 3.35Å; K398-E402 IonicContact NZ-OE1 3.34Å; K398-E402 WeakPolarHBondContact O-CB 3.49Å; K398-E402 VanDerWaalsContact O-CG 3.3Å; K398-E402 WeakPolarHBondContact O-CG 3.36Å; K398-E402 PolarHBondContact O-N 3.44Å |
| 399 | E | 93.9 | Very high | 89.5 | Confident | 106 Ų | 106 | 73.6 Ų | 73.6 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 179.4 | -177.4 | 179.7 | 165.7 | 0 | 0 | 111.2 | A396 E402 Y403 V419 | A396-E399 PolarHBondContact O-N 2.99Å; A396-E399 VanDerWaalsContact O-N 3.16Å; E399-E402 PolarHBondContact O-N 2.92Å; E399-Y403 PolarHBondContact O-N 3.13Å; E399-V419 HydrophobicContact CG-CG1 4.26Å |
| 400 | V | 92.5 | Very high | 88 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 177.8 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | A396 E397 E402 Y403 Y404 P417 V419 I420 F459 F460 | A396-V400 WeakPolarHBondContact O-CG2 3.42Å; A396-V400 PolarHBondContact O-N 2.91Å; E397-V400 PolarHBondContact O-N 3.44Å; V400-E402 PolarHBondContact O-N 3.5Å; V400-Y403 PolarHBondContact O-N 2.7Å; V400-Y404 HydrophobicContact CG1-CD2 3.76Å; V400-Y404 HydrophobicContact CG1-CE2 3.51Å; V400-Y404 WeakPolarHBondContact O-CD2 3.42Å; V400-Y404 PolarHBondContact O-N 3.09Å; V400-P417 HydrophobicContact CG1-CG 4.25Å; V400-P417 HydrophobicContact CG2-CB 4.47Å; V400-P417 HydrophobicContact CG2-CG 4.49Å; V400-V419 HydrophobicContact CG2-CG1 3.52Å; V400-I420 HydrophobicContact CG1-CD1 4.36Å; V400-I420 HydrophobicContact CG2-CD1 4.33Å; V400-I420 HydrophobicContact CG2-CG1 4.12Å; V400-F459 HydrophobicContact CG1-CE1 4.22Å; V400-F459 HydrophobicContact CG1-CZ 3.75Å; V400-F460 HydrophobicContact CB-CD1 4.17Å; V400-F460 HydrophobicContact CB-CE1 3.93Å; V400-F460 HydrophobicContact CB-CZ 4.44Å; V400-F460 HydrophobicContact CG1-CD1 3.73Å; V400-F460 HydrophobicContact CG1-CE1 4.03Å; V400-F460 HydrophobicContact CG1-CG 4.25Å; V400-F460 HydrophobicContact CG2-CD1 4.23Å; V400-F460 HydrophobicContact CG2-CE1 3.89Å; V400-F460 HydrophobicContact CG2-CE2 4.23Å; V400-F460 HydrophobicContact CG2-CZ 3.91Å |
| 401 | A | 90.1 | Very high | 86.5 | Confident | 54 Ų | 54 | 72.9 Ų | 72.9 | 45% | 0.446 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E397 K398 Y404 A405 | E397-A401 VanDerWaalsContact O-CB 3.25Å; E397-A401 WeakPolarHBondContact O-CB 3.3Å; E397-A401 PolarHBondContact O-N 3.49Å; K398-A401 PolarHBondContact O-N 3.23Å; A401-Y404 PolarHBondContact O-N 3.05Å; A401-A405 VanDerWaalsContact O-CB 3.31Å; A401-A405 WeakPolarHBondContact O-CB 3.47Å; A401-A405 PolarHBondContact O-N 2.98Å |
| 402 | E | 90.4 | Very high | 84.9 | Confident | 90 Ų | 90 | 74.3 Ų | 74.3 | 42% | 0.421 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 176.5 | -75.4 | 173.2 | 178.2 | 0 | 0 | 111.8 | K398 E399 V400 Y404 A405 Q406 | K398-E402 WeakPolarHBondContact CE-OE1 3.35Å; K398-E402 IonicContact NZ-OE1 3.34Å; K398-E402 WeakPolarHBondContact O-CB 3.49Å; K398-E402 VanDerWaalsContact O-CG 3.3Å; K398-E402 WeakPolarHBondContact O-CG 3.36Å; K398-E402 PolarHBondContact O-N 3.44Å; E399-E402 PolarHBondContact O-N 2.92Å; V400-E402 PolarHBondContact O-N 3.5Å; E402-Y404 PolarHBondContact O-N 2.91Å; E402-A405 PolarHBondContact O-N 3.42Å; E402-Q406 WeakPolarHBondContact O-CB 3.4Å; E402-Q406 VanDerWaalsContact O-CG 3.23Å; E402-Q406 WeakPolarHBondContact O-CG 3.43Å; E402-Q406 PolarHBondContact O-N 3.16Å |
| 403 | Y | 88.7 | Confident | 83.4 | Confident | 64 Ų | 64 | 75.9 Ų | 75.9 | 25% | 0.251 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -56.4 | -50.9 | 175.5 | 176.3 | -91.7 | 0 | 0 | 0 | 112.1 | E399 V400 Q406 S407 E412 G415 P417 | E399-Y403 PolarHBondContact O-N 3.13Å; V400-Y403 PolarHBondContact O-N 2.7Å; Y403-Q406 PolarHBondContact O-N 2.98Å; Y403-S407 WeakPolarHBondContact O-CB 3.18Å; Y403-S407 PolarHBondContact O-N 3.32Å; Y403-S407 PolarHBondContact O-OG 2.94Å; Y403-E412 PolarHBondContact OH-O 3.12Å; Y403-G415 WeakPolarHBondContact OH-CA 3.47Å; Y403-P417 HydrophobicContact CD1-CB 4.25Å; Y403-P417 HydrophobicContact CD1-CG 3.56Å; Y403-P417 HydrophobicContact CE1-CG 3.93Å; Y403-P417 HydrophobicContact CG-CB 4.23Å; Y403-P417 HydrophobicContact CG-CG 4Å |
| 404 | Y | 85.8 | Confident | 81.9 | Confident | 79 Ų | 79 | 83.1 Ų | 83.1 | 31% | 0.31 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71 | -33.1 | -178.7 | -71.7 | -60.3 | 0 | 0 | 0 | 112.9 | V400 A401 E402 S407 G408 P417 F459 | V400-Y404 HydrophobicContact CG1-CD2 3.76Å; V400-Y404 HydrophobicContact CG1-CE2 3.51Å; V400-Y404 WeakPolarHBondContact O-CD2 3.42Å; V400-Y404 PolarHBondContact O-N 3.09Å; A401-Y404 PolarHBondContact O-N 3.05Å; E402-Y404 PolarHBondContact O-N 2.91Å; Y404-S407 PolarHBondContact O-N 3.37Å; Y404-G408 PolarHBondContact O-N 3.15Å; Y404-P417 HydrophobicContact CE2-CG 4.01Å; Y404-P417 WeakPolarHBondContact OH-CD 3.42Å; Y404-F459 HydrophobicContact CD2-CE2 4.45Å; Y404-F459 AromaticContact CD2-CZ 3.96Å; Y404-F459 HydrophobicContact CD2-CZ 3.96Å; Y404-F459 HydrophobicContact CE2-CE2 4.02Å; Y404-F459 AromaticContact CE2-CZ 3.83Å; Y404-F459 HydrophobicContact CE2-CZ 3.83Å |
| 405 | A | 86.1 | Confident | 80.7 | Confident | 81 Ų | 81 | 81.1 Ų | 81.1 | 67% | 0.669 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.7 | -39.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A401 E402 | A401-A405 VanDerWaalsContact O-CB 3.31Å; A401-A405 WeakPolarHBondContact O-CB 3.47Å; A401-A405 PolarHBondContact O-N 2.98Å; E402-A405 PolarHBondContact O-N 3.42Å |
| 406 | Q | 82.6 | Confident | 79.7 | Confident | 157 Ų | 157 | 81.4 Ų | 81.4 | 73% | 0.734 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -74.2 | -30.8 | 179.1 | -68.9 | 170.9 | 24.4 | 0 | 0 | 112.4 | E402 Y403 G408 | E402-Q406 WeakPolarHBondContact O-CB 3.4Å; E402-Q406 VanDerWaalsContact O-CG 3.23Å; E402-Q406 WeakPolarHBondContact O-CG 3.43Å; E402-Q406 PolarHBondContact O-N 3.16Å; Y403-Q406 PolarHBondContact O-N 2.98Å; Q406-G408 VanDerWaalsContact C-N 3.29Å; Q406-G408 PolarHBondContact O-N 3.46Å |
| 407 | S | 74.7 | Confident | 79.2 | Confident | 6 Ų | 6 | 81.2 Ų | 81.2 | 4% | 0.042 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 3 | -177.2 | -52.4 | 0 | 0 | 0 | 0 | 114 | Y403 Y404 N409 S410 K413 | Y403-S407 WeakPolarHBondContact O-CB 3.18Å; Y403-S407 PolarHBondContact O-N 3.32Å; Y403-S407 PolarHBondContact O-OG 2.94Å; Y404-S407 PolarHBondContact O-N 3.37Å; S407-N409 PolarHBondContact O-N 3.19Å; S407-S410 PolarHBondContact O-N 3.16Å; S407-S410 PolarHBondContact O-OG 3.27Å; S407-K413 VanDerWaalsContact O-CB 3.25Å; S407-K413 WeakPolarHBondContact O-CB 3.37Å |
| 408 | G | 61 | Low | 79 | Confident | 28 Ų | 28 | 84 Ų | 84 | 29% | 0.289 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -21.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y404 Q406 | Y404-G408 PolarHBondContact O-N 3.15Å; Q406-G408 VanDerWaalsContact C-N 3.29Å; Q406-G408 PolarHBondContact O-N 3.46Å |
| 409 | N | 60.2 | Low | 79 | Confident | 176 Ų | 176 | 77.7 Ų | 77.7 | 94% | 0.941 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.8 | 9.7 | -178.5 | -73.9 | -22.7 | 0 | 0 | 0 | 114.5 | S407 | S407-N409 PolarHBondContact O-N 3.19Š|
| 410 | S | 68.7 | Low | 79.1 | Confident | 47 Ų | 47 | 72.6 Ų | 72.6 | 33% | 0.329 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -106 | 163.4 | 179.4 | 68.9 | 0 | 0 | 0 | 0 | 111.7 | S407 E412 K413 | S407-S410 PolarHBondContact O-N 3.16Å; S407-S410 PolarHBondContact O-OG 3.27Å; S410-E412 PolarHBondContact O-N 2.87Å; S410-E412 VanDerWaalsContact O-N 3.14Å; S410-E412 WeakPolarHBondContact OG-CB 3.46Å; S410-E412 PolarHBondContact OG-N 3.21Å; S410-K413 WeakPolarHBondContact O-CB 3.36Å; S410-K413 PolarHBondContact O-N 3.14Å; S410-K413 VanDerWaalsContact O-N 3.16Å |
| 411 | A | 65.9 | Low | 79.1 | Confident | 100 Ų | 100 | 76.1 Ų | 76.1 | 83% | 0.826 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -59.7 | -19.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K413 | A411-K413 VanDerWaalsContact C-N 3.27Å; A411-K413 PolarHBondContact O-N 2.8Å |
| 412 | E | 64.1 | Low | 79.4 | Confident | 131 Ų | 131 | 80 Ų | 80 | 61% | 0.612 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -79.7 | -4.7 | 179.5 | -56.8 | 173.8 | 159.5 | 0 | 0 | 113.2 | Y403 S410 W414 G415 | Y403-E412 PolarHBondContact OH-O 3.12Å; S410-E412 PolarHBondContact O-N 2.87Å; S410-E412 VanDerWaalsContact O-N 3.14Å; S410-E412 WeakPolarHBondContact OG-CB 3.46Å; S410-E412 PolarHBondContact OG-N 3.21Å; E412-W414 PolarHBondContact O-N 2.69Å; E412-G415 PolarHBondContact O-N 3.03Å |
| 413 | K | 67.3 | Low | 79.7 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 39% | 0.387 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -50.4 | -28.9 | 175.4 | -170.9 | 175.4 | 178.8 | 170.5 | 0 | 114 | S407 S410 A411 | S407-K413 VanDerWaalsContact O-CB 3.25Å; S407-K413 WeakPolarHBondContact O-CB 3.37Å; S410-K413 WeakPolarHBondContact O-CB 3.36Å; S410-K413 PolarHBondContact O-N 3.14Å; S410-K413 VanDerWaalsContact O-N 3.16Å; A411-K413 VanDerWaalsContact C-N 3.27Å; A411-K413 PolarHBondContact O-N 2.8Å |
| 414 | W | 66.6 | Low | 80.1 | Confident | 152 Ų | 152 | 74.1 Ų | 74.1 | 58% | 0.576 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -101.8 | 5.9 | -176.9 | -50.5 | 112.3 | 0 | 0 | 0 | 113.2 | E412 W537 | E412-W414 PolarHBondContact O-N 2.69Å; W414-W537 AromaticContact CE2-CZ2 3.83Å; W414-W537 AromaticContact CH2-CH2 3.26Å; W414-W537 HydrophobicContact CH2-CH2 3.26Å; W414-W537 AromaticContact CH2-CZ2 3.92Å; W414-W537 HydrophobicContact CH2-CZ2 3.92Å; W414-W537 HydrophobicContact CH2-CZ3 4.24Å; W414-W537 AromaticContact CZ2-CH2 3.3Å; W414-W537 HydrophobicContact CZ2-CH2 3.3Å; W414-W537 AromaticContact CZ2-CZ2 3.45Å; W414-W537 HydrophobicContact CZ2-CZ2 3.45Å; W414-W537 VanDerWaalsContact CZ2-CZ2 3.45Å; W414-W537 HydrophobicContact CZ2-CZ3 4.48Å; W414-W537 AromaticContact CZ3-CH2 3.92Å; W414-W537 HydrophobicContact CZ3-CH2 3.92Å |
| 415 | G | 72.2 | Confident | 80.7 | Confident | 25 Ų | 25 | 76.1 Ų | 76.1 | 26% | 0.258 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -75.8 | 160.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y403 E412 | Y403-G415 WeakPolarHBondContact OH-CA 3.47Å; E412-G415 PolarHBondContact O-N 3.03Å |
| 416 | H | 77.5 | Confident | 81.3 | Confident | 95 Ų | 95 | 75.2 Ų | 75.2 | 44% | 0.44 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -94.3 | 125.9 | 175.7 | -66.1 | -84.5 | 0 | 0 | 0 | 110.3 | L418 D463 | H416-L418 PolarHBondContact O-N 3.33Å; H416-D463 IonicContact ND1-OD2 2.88Å |
| 417 | P | 86.5 | Confident | 82 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.019 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 129.9 | 170.6 | -19.6 | 23 | 0 | 0 | 0 | 111.4 | V400 Y403 Y404 V419 I420 | V400-P417 HydrophobicContact CG1-CG 4.25Å; V400-P417 HydrophobicContact CG2-CB 4.47Å; V400-P417 HydrophobicContact CG2-CG 4.49Å; Y403-P417 HydrophobicContact CD1-CB 4.25Å; Y403-P417 HydrophobicContact CD1-CG 3.56Å; Y403-P417 HydrophobicContact CE1-CG 3.93Å; Y403-P417 HydrophobicContact CG-CB 4.23Å; Y403-P417 HydrophobicContact CG-CG 4Å; Y404-P417 HydrophobicContact CE2-CG 4.01Å; Y404-P417 WeakPolarHBondContact OH-CD 3.42Å; P417-V419 HydrophobicContact CB-CG1 3.85Å; P417-V419 PolarHBondContact O-N 3.41Å; P417-I420 HydrophobicContact CB-CD1 4.31Å; P417-I420 HydrophobicContact CB-CG1 4.22Å; P417-I420 HydrophobicContact CG-CD1 3.81Å; P417-I420 HydrophobicContact CG-CG1 4.27Å; P417-I420 WeakPolarHBondContact O-CB 3.4Å; P417-I420 PolarHBondContact O-N 2.89Å |
| 418 | L | 90.8 | Very high | 83.1 | Confident | 133 Ų | 133 | 71.4 Ų | 71.4 | 70% | 0.696 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57.6 | -26.3 | 178.2 | -70.5 | 175 | 0 | 0 | 0 | 113.2 | H416 I420 E421 K422 | H416-L418 PolarHBondContact O-N 3.33Å; L418-I420 VanDerWaalsContact C-N 3.3Å; L418-E421 PolarHBondContact O-N 3.4Å; L418-K422 WeakPolarHBondContact O-CG 3.4Å; L418-K422 PolarHBondContact O-N 3.08Å; L418-K422 VanDerWaalsContact O-N 3.14Å |
| 419 | V | 94.4 | Very high | 84.8 | Confident | 15 Ų | 15 | 74.4 Ų | 74.4 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63 | -37 | 174 | 64.7 | 0 | 0 | 0 | 0 | 111.7 | A396 E399 V400 P417 K422 L423 | A396-V419 HydrophobicContact CB-CG2 3.75Å; E399-V419 HydrophobicContact CG-CG1 4.26Å; V400-V419 HydrophobicContact CG2-CG1 3.52Å; P417-V419 HydrophobicContact CB-CG1 3.85Å; P417-V419 PolarHBondContact O-N 3.41Å; V419-K422 PolarHBondContact O-N 3.04Å; V419-L423 HydrophobicContact CG2-CD1 4.32Å; V419-L423 HydrophobicContact CG2-CG 4.47Å; V419-L423 WeakPolarHBondContact O-CG 3.42Å; V419-L423 PolarHBondContact O-N 3.27Å |
| 420 | I | 94.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66 | -43.9 | 177.8 | -67 | -179.8 | 0 | 0 | 0 | 110.5 | V400 P417 L418 K422 L423 K424 F460 D463 V464 | V400-I420 HydrophobicContact CG1-CD1 4.36Å; V400-I420 HydrophobicContact CG2-CD1 4.33Å; V400-I420 HydrophobicContact CG2-CG1 4.12Å; P417-I420 HydrophobicContact CB-CD1 4.31Å; P417-I420 HydrophobicContact CB-CG1 4.22Å; P417-I420 HydrophobicContact CG-CD1 3.81Å; P417-I420 HydrophobicContact CG-CG1 4.27Å; P417-I420 WeakPolarHBondContact O-CB 3.4Å; P417-I420 PolarHBondContact O-N 2.89Å; L418-I420 VanDerWaalsContact C-N 3.3Å; I420-K422 VanDerWaalsContact C-N 3.32Å; I420-K422 PolarHBondContact O-N 3.28Å; I420-L423 WeakPolarHBondContact O-CB 3.26Å; I420-L423 PolarHBondContact O-N 2.81Å; I420-L423 VanDerWaalsContact O-N 3.08Å; I420-K424 HydrophobicContact CG2-CD 4.39Å; I420-K424 HydrophobicContact CG2-CG 4.49Å; I420-K424 WeakPolarHBondContact O-CG 3.4Å; I420-K424 PolarHBondContact O-N 3.35Å; I420-F460 HydrophobicContact CD1-CB 3.81Å; I420-F460 HydrophobicContact CD1-CD2 3.92Å; I420-F460 HydrophobicContact CD1-CG 3.99Å; I420-F460 HydrophobicContact CG1-CD2 3.89Å; I420-F460 HydrophobicContact CG1-CE2 4.41Å; I420-F460 HydrophobicContact CG1-CG 4.44Å; I420-D463 WeakPolarHBondContact CG2-OD2 3.5Å; I420-V464 HydrophobicContact CG2-CG2 4.35Å |
| 421 | E | 93.3 | Very high | 87.9 | Confident | 74 Ų | 74 | 69.3 Ų | 69.3 | 35% | 0.346 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 177.3 | -64.7 | -54.2 | 124.5 | 0 | 0 | 112.2 | L418 L423 K424 E425 | L418-E421 PolarHBondContact O-N 3.4Å; E421-L423 PolarHBondContact O-N 2.81Å; E421-K424 PolarHBondContact O-N 2.94Å; E421-K424 IonicContact OE1-NZ 2.81Å; E421-K424 PolarHBondContact OE1-NZ 3.02Å; E421-E425 PolarHBondContact O-N 3.49Å |
| 422 | K | 96 | Very high | 89.4 | Confident | 136 Ų | 136 | 64.6 Ų | 64.6 | 59% | 0.591 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 172.1 | -69.4 | 170.7 | -175.4 | 172.5 | 0 | 111.9 | L418 V419 I420 K424 E425 I426 | L418-K422 WeakPolarHBondContact O-CG 3.4Å; L418-K422 PolarHBondContact O-N 3.08Å; L418-K422 VanDerWaalsContact O-N 3.14Å; V419-K422 PolarHBondContact O-N 3.04Å; I420-K422 VanDerWaalsContact C-N 3.32Å; I420-K422 PolarHBondContact O-N 3.28Å; K422-K424 VanDerWaalsContact C-N 3.35Å; K422-E425 PolarHBondContact O-N 2.91Å; K422-I426 WeakPolarHBondContact O-CG1 3.33Å; K422-I426 PolarHBondContact O-N 2.99Å |
| 423 | L | 97.9 | Very high | 91 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 178.7 | -69.7 | 174.3 | 0 | 0 | 0 | 111.7 | H392 A396 V419 I420 E421 E425 I426 A427 F460 V464 | H392-L423 HydrophobicContact CB-CD2 3.53Å; A396-L423 HydrophobicContact CB-CD1 3.96Å; V419-L423 HydrophobicContact CG2-CD1 4.32Å; V419-L423 HydrophobicContact CG2-CG 4.47Å; V419-L423 WeakPolarHBondContact O-CG 3.42Å; V419-L423 PolarHBondContact O-N 3.27Å; I420-L423 WeakPolarHBondContact O-CB 3.26Å; I420-L423 PolarHBondContact O-N 2.81Å; I420-L423 VanDerWaalsContact O-N 3.08Å; E421-L423 PolarHBondContact O-N 2.81Å; L423-E425 PolarHBondContact O-N 2.67Å; L423-I426 PolarHBondContact O-N 3.17Å; L423-A427 WeakPolarHBondContact O-CB 3.28Å; L423-A427 PolarHBondContact O-N 3Å; L423-F460 HydrophobicContact CD1-CE2 4.04Å; L423-V464 HydrophobicContact CB-CB 4.4Å; L423-V464 HydrophobicContact CB-CG1 3.68Å; L423-V464 HydrophobicContact CB-CG2 3.84Å; L423-V464 HydrophobicContact CD1-CG2 4.08Å |
| 424 | K | 97.2 | Very high | 92.5 | Very high | 19 Ų | 19 | 56 Ų | 56 | 8% | 0.083 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.5 | -46.7 | 174.1 | -73 | 174.6 | 177.5 | 170.9 | 0 | 111.7 | I420 E421 K422 I426 A427 K428 W433 D463 | I420-K424 HydrophobicContact CG2-CD 4.39Å; I420-K424 HydrophobicContact CG2-CG 4.49Å; I420-K424 WeakPolarHBondContact O-CG 3.4Å; I420-K424 PolarHBondContact O-N 3.35Å; E421-K424 PolarHBondContact O-N 2.94Å; E421-K424 IonicContact OE1-NZ 2.81Å; E421-K424 PolarHBondContact OE1-NZ 3.02Å; K422-K424 VanDerWaalsContact C-N 3.35Å; K424-I426 VanDerWaalsContact C-N 3.35Å; K424-I426 PolarHBondContact O-N 3.29Å; K424-A427 PolarHBondContact O-N 3.37Å; K424-K428 VanDerWaalsContact O-CB 3.28Å; K424-K428 WeakPolarHBondContact O-CB 3.31Å; K424-K428 PolarHBondContact O-N 3Å; K424-W433 HydrophobicContact CB-CH2 4.01Å; K424-W433 HydrophobicContact CB-CZ3 3.71Å; K424-W433 HydrophobicContact CD-CH2 4.17Å; K424-W433 HydrophobicContact CD-CZ3 4.48Å; K424-W433 HydrophobicContact CG-CH2 4.04Å; K424-W433 HydrophobicContact CG-CZ3 3.84Å; K424-D463 WeakPolarHBondContact CE-O 3.5Å; K424-D463 WeakPolarHBondContact CE-OD1 3.39Å; K424-D463 VanDerWaalsContact NZ-CG 3.34Å; K424-D463 IonicContact NZ-OD1 2.72Å; K424-D463 PolarHBondContact NZ-OD1 3.29Å; K424-D463 IonicContact NZ-OD2 3.2Å; K424-D463 PolarHBondContact NZ-OD2 3.03Å |
| 425 | E | 97.4 | Very high | 94 | Very high | 121 Ų | 121 | 49.1 Ų | 49.1 | 57% | 0.565 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 177.8 | -72 | -59.4 | 141.3 | 0 | 0 | 112.5 | E421 K422 L423 K428 A429 | E421-E425 PolarHBondContact O-N 3.49Å; K422-E425 PolarHBondContact O-N 2.91Å; L423-E425 PolarHBondContact O-N 2.67Å; E425-K428 PolarHBondContact O-N 3.17Å; E425-A429 WeakPolarHBondContact O-CB 3.37Å; E425-A429 PolarHBondContact O-N 2.76Å |
| 426 | I | 98 | Very high | 95.1 | Very high | 63 Ų | 63 | 48.1 Ų | 48.1 | 32% | 0.323 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.7 | -46.4 | 175.9 | -56 | 165.9 | 0 | 0 | 0 | 110.2 | F388 K422 L423 K424 K428 A429 E430 | F388-I426 HydrophobicContact CE2-CB 4.05Å; F388-I426 HydrophobicContact CE2-CG2 3.66Å; F388-I426 HydrophobicContact CZ-CB 4.25Å; F388-I426 HydrophobicContact CZ-CG2 4.29Å; K422-I426 WeakPolarHBondContact O-CG1 3.33Å; K422-I426 PolarHBondContact O-N 2.99Å; L423-I426 PolarHBondContact O-N 3.17Å; K424-I426 VanDerWaalsContact C-N 3.35Å; K424-I426 PolarHBondContact O-N 3.29Å; I426-K428 VanDerWaalsContact C-N 3.29Å; I426-K428 PolarHBondContact O-N 3.15Å; I426-A429 PolarHBondContact O-N 2.67Å; I426-E430 PolarHBondContact O-N 3.05Å |
| 427 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F388 L423 K424 E430 G431 L432 V464 F465 | F388-A427 HydrophobicContact CE1-CB 4.44Å; F388-A427 HydrophobicContact CE2-CB 4.02Å; F388-A427 HydrophobicContact CZ-CB 3.79Å; L423-A427 WeakPolarHBondContact O-CB 3.28Å; L423-A427 PolarHBondContact O-N 3Å; K424-A427 PolarHBondContact O-N 3.37Å; A427-E430 CarbonylContact O-C 3.48Å; A427-E430 PolarHBondContact O-N 3.37Å; A427-G431 PolarHBondContact O-N 3.46Å; A427-G431 VanDerWaalsContact O-N 3.07Å; A427-L432 HydrophobicContact CB-CB 4.48Å; A427-L432 PolarHBondContact O-N 3.17Å; A427-V464 HydrophobicContact CB-CG1 4.03Å; A427-V464 WeakPolarHBondContact CB-O 3.24Å; A427-F465 HydrophobicContact CB-CD1 3.94Å; A427-F465 HydrophobicContact CB-CE1 4.2Å |
| 428 | K | 97.1 | Very high | 96.3 | Very high | 83 Ų | 83 | 46 Ų | 46 | 36% | 0.361 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 175.7 | -168.2 | 172 | -178.4 | 175 | 0 | 112 | K424 E425 I426 E430 G431 W433 R496 | K424-K428 VanDerWaalsContact O-CB 3.28Å; K424-K428 WeakPolarHBondContact O-CB 3.31Å; K424-K428 PolarHBondContact O-N 3Å; E425-K428 PolarHBondContact O-N 3.17Å; I426-K428 VanDerWaalsContact C-N 3.29Å; I426-K428 PolarHBondContact O-N 3.15Å; K428-E430 VanDerWaalsContact C-N 3.27Å; K428-E430 PolarHBondContact O-N 3.03Å; K428-G431 PolarHBondContact O-N 2.83Å; K428-W433 HydrophobicContact CB-CD2 4.34Å; K428-W433 HydrophobicContact CB-CE3 4.21Å; K428-W433 HydrophobicContact CG-CD2 4.4Å; K428-W433 HydrophobicContact CG-CG 4.33Å; K428-R496 PolarHBondContact NZ-O 3.35Å |
| 429 | A | 97.3 | Very high | 96.4 | Very high | 90 Ų | 90 | 42.9 Ų | 42.9 | 74% | 0.744 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.2 | -32.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E425 I426 G431 | E425-A429 WeakPolarHBondContact O-CB 3.37Å; E425-A429 PolarHBondContact O-N 2.76Å; I426-A429 PolarHBondContact O-N 2.67Å; A429-G431 VanDerWaalsContact C-N 3.29Å |
| 430 | E | 97.5 | Very high | 96.4 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 31% | 0.313 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.5 | 172.4 | -68.8 | -167.9 | -151.2 | 0 | 0 | 113.1 | R384 I426 A427 K428 L432 | R384-E430 PolarHBondContact NH2-O 2.61Å; I426-E430 PolarHBondContact O-N 3.05Å; A427-E430 CarbonylContact O-C 3.48Å; A427-E430 PolarHBondContact O-N 3.37Å; K428-E430 VanDerWaalsContact C-N 3.27Å; K428-E430 PolarHBondContact O-N 3.03Å; E430-L432 VanDerWaalsContact C-N 3.29Å; E430-L432 HydrophobicContact CB-CD1 4.32Å; E430-L432 HydrophobicContact CB-CG 4.13Å; E430-L432 PolarHBondContact O-N 3.32Å |
| 431 | G | 96.7 | Very high | 96.4 | Very high | 50 Ų | 50 | 46.1 Ų | 46.1 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 31.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A427 K428 A429 W433 | A427-G431 PolarHBondContact O-N 3.46Å; A427-G431 VanDerWaalsContact O-N 3.07Å; K428-G431 PolarHBondContact O-N 2.83Å; A429-G431 VanDerWaalsContact C-N 3.29Å; G431-W433 VanDerWaalsContact C-N 3.3Å |
| 432 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -96.5 | 34.4 | 172.3 | -58.7 | -179.8 | 0 | 0 | 0 | 111.3 | V381 R384 V385 F388 A427 E430 L435 F465 | V381-L432 HydrophobicContact CG1-CD2 4.26Å; R384-L432 HydrophobicContact CB-CD2 4.09Å; V385-L432 HydrophobicContact CG2-CD1 4.4Å; V385-L432 HydrophobicContact CG2-CD2 4.09Å; F388-L432 HydrophobicContact CB-CD1 3.87Å; F388-L432 HydrophobicContact CD2-CD1 3.91Å; F388-L432 HydrophobicContact CG-CD1 4.02Å; A427-L432 HydrophobicContact CB-CB 4.48Å; A427-L432 PolarHBondContact O-N 3.17Å; E430-L432 VanDerWaalsContact C-N 3.29Å; E430-L432 HydrophobicContact CB-CD1 4.32Å; E430-L432 HydrophobicContact CB-CG 4.13Å; E430-L432 PolarHBondContact O-N 3.32Å; L432-L435 HydrophobicContact CB-CD1 4.31Å; L432-F465 HydrophobicContact CB-CD1 3.78Å; L432-F465 HydrophobicContact CB-CE1 3.94Å; L432-F465 HydrophobicContact CD1-CE1 4.05Å; L432-F465 WeakPolarHBondContact O-CB 3.46Å; L432-F465 WeakPolarHBondContact O-CD1 3.29Å | ||
| 433 | W | 97.9 | Very high | 96.3 | Very high | 32 Ų | 32 | 38.3 Ų | 38.3 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -111.2 | 142.2 | -170.5 | -166.9 | -103.6 | 0 | 0 | 0 | 111.7 | K424 K428 G431 L435 V464 N466 L495 | K424-W433 HydrophobicContact CB-CH2 4.01Å; K424-W433 HydrophobicContact CB-CZ3 3.71Å; K424-W433 HydrophobicContact CD-CH2 4.17Å; K424-W433 HydrophobicContact CD-CZ3 4.48Å; K424-W433 HydrophobicContact CG-CH2 4.04Å; K424-W433 HydrophobicContact CG-CZ3 3.84Å; K428-W433 HydrophobicContact CB-CD2 4.34Å; K428-W433 HydrophobicContact CB-CE3 4.21Å; K428-W433 HydrophobicContact CG-CD2 4.4Å; K428-W433 HydrophobicContact CG-CG 4.33Å; G431-W433 VanDerWaalsContact C-N 3.3Å; W433-L435 VanDerWaalsContact C-N 3.27Å; W433-L435 PolarHBondContact O-N 3.38Å; W433-V464 WeakPolarHBondContact CZ3-O 3.27Å; W433-N466 HydrophobicContact CD2-CB 3.67Å; W433-N466 HydrophobicContact CE3-CB 3.93Å; W433-N466 HydrophobicContact CG-CB 4.38Å; W433-N466 HydrophobicContact CH2-CB 3.65Å; W433-N466 HydrophobicContact CZ2-CB 3.37Å; W433-N466 HydrophobicContact CZ3-CB 3.92Å; W433-L495 PolarHBondContact NE1-O 3Å |
| 434 | N | 97.7 | Very high | 95.9 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.043 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 55.6 | 36.1 | -179.7 | -59.8 | -39.1 | 0 | 0 | 0 | 114.1 | F436 L437 V440 F465 N466 L495 | N434-F436 HydrophobicContact CB-CE1 4.29Å; N434-F436 PolarHBondContact O-N 3.42Å; N434-F436 VanDerWaalsContact O-N 3.1Å; N434-L437 PolarHBondContact O-N 3.06Å; N434-V440 HydrophobicContact CB-CG1 3.92Å; N434-F465 PolarHBondContact N-O 3.01Å; N434-N466 WeakPolarHBondContact OD1-CB 3.36Å; N434-N466 PolarHBondContact OD1-ND2 3.12Å; N434-L495 HydrophobicContact CB-CD2 4.3Å; N434-L495 PolarHBondContact ND2-O 3.13Å |
| 435 | L | 97.7 | Very high | 95.5 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.7 | -170.8 | -65.4 | 175.1 | 0 | 0 | 0 | 113.4 | V381 V385 L432 W433 S441 L443 Y448 I451 C467 | V381-L435 HydrophobicContact CG1-CD1 4.15Å; V381-L435 HydrophobicContact CG1-CD2 3.95Å; V385-L435 HydrophobicContact CG2-CD1 3.84Å; L432-L435 HydrophobicContact CB-CD1 4.31Å; W433-L435 VanDerWaalsContact C-N 3.27Å; W433-L435 PolarHBondContact O-N 3.38Å; L435-S441 WeakPolarHBondContact O-CB 3.25Å; L435-S441 PolarHBondContact O-OG 3Å; L435-L443 HydrophobicContact CB-CD1 4.34Å; L435-L443 HydrophobicContact CD2-CD1 4.08Å; L435-Y448 HydrophobicContact CB-CD2 4.11Å; L435-Y448 HydrophobicContact CB-CE2 4.21Å; L435-I451 HydrophobicContact CD1-CG2 4.1Å; L435-C467 PolarHBondContact N-SG 3.3Å |
| 436 | F | 96.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -29.8 | 180 | 76.5 | -81.6 | 0 | 0 | 0 | 114.6 | N434 P438 Y448 N466 T472 M475 E476 | N434-F436 HydrophobicContact CB-CE1 4.29Å; N434-F436 PolarHBondContact O-N 3.42Å; N434-F436 VanDerWaalsContact O-N 3.1Å; F436-P438 VanDerWaalsContact O-CD 3.27Å; F436-P438 WeakPolarHBondContact O-CD 3.11Å; F436-Y448 HydrophobicContact CB-CD1 3.87Å; F436-Y448 HydrophobicContact CB-CD2 4.1Å; F436-Y448 HydrophobicContact CB-CE1 3.43Å; F436-Y448 VanDerWaalsContact CB-CE1 3.43Å; F436-Y448 HydrophobicContact CB-CE2 3.68Å; F436-Y448 HydrophobicContact CB-CG 4.19Å; F436-N466 WeakPolarHBondContact CE1-O 3.36Å; F436-T472 HydrophobicContact CB-CG2 4.25Å; F436-T472 HydrophobicContact CD1-CG2 3.53Å; F436-T472 HydrophobicContact CD2-CG2 3.82Å; F436-T472 HydrophobicContact CE1-CG2 3.77Å; F436-T472 HydrophobicContact CE2-CG2 4.02Å; F436-T472 VanDerWaalsContact CE2-O 3.3Å; F436-T472 WeakPolarHBondContact CE2-O 3.22Å; F436-T472 HydrophobicContact CG-CG2 3.57Å; F436-T472 HydrophobicContact CZ-CG2 4.02Å; F436-M475 HydrophobicContact CE1-CE 3.55Å; F436-M475 HydrophobicContact CE1-SD 4.27Å; F436-M475 HydrophobicContact CE2-CB 4.15Å; F436-M475 HydrophobicContact CZ-CB 3.77Å; F436-M475 HydrophobicContact CZ-CE 3.41Å; F436-M475 VanDerWaalsContact CZ-CE 3.41Å; F436-M475 HydrophobicContact CZ-CG 4.34Å; F436-M475 HydrophobicContact CZ-SD 3.8Å; F436-E476 HydrophobicContact CD2-CG 4.24Å; F436-E476 HydrophobicContact CE2-CG 3.99Å |
| 437 | L | 95.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | -94.9 | 108.8 | -169.4 | -173.1 | 61.5 | 0 | 0 | 0 | 111.2 | N434 A439 V440 S441 E476 H479 L495 | N434-L437 PolarHBondContact O-N 3.06Å; L437-A439 VanDerWaalsContact C-N 3.26Å; L437-A439 PolarHBondContact O-N 2.65Å; L437-A439 VanDerWaalsContact O-N 3.13Å; L437-V440 HydrophobicContact CB-CB 4.43Å; L437-V440 HydrophobicContact CD2-CB 4.47Å; L437-V440 HydrophobicContact CD2-CG2 3.72Å; L437-V440 HydrophobicContact CG-CG2 4.24Å; L437-V440 PolarHBondContact O-N 3.47Å; L437-S441 PolarHBondContact O-N 2.85Å; L437-S441 PolarHBondContact O-OG 2.86Å; L437-S441 VanDerWaalsContact O-OG 3.14Å; L437-E476 HydrophobicContact CD1-CG 4.04Å; L437-H479 HydrophobicContact CD1-CB 4.34Å; L437-H479 HydrophobicContact CD2-CB 4.46Å; L437-L495 HydrophobicContact CD2-CD2 3.92Å | ||
| 438 | P | 93.8 | Very high | 94.6 | Very high | 51 Ų | 51 | 39 Ų | 39 | 33% | 0.331 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.6 | -34.4 | -172.6 | -28.7 | 38.3 | 0 | 0 | 0 | 114.3 | F436 V440 G442 L443 | F436-P438 VanDerWaalsContact O-CD 3.27Å; F436-P438 WeakPolarHBondContact O-CD 3.11Å; P438-V440 PolarHBondContact O-N 2.97Å; P438-G442 VanDerWaalsContact O-CA 3.22Å; P438-G442 WeakPolarHBondContact O-CA 3.43Å; P438-G442 PolarHBondContact O-N 3.29Å; P438-L443 WeakPolarHBondContact CA-O 2.99Å; P438-L443 VanDerWaalsContact CB-O 3.24Å; P438-L443 WeakPolarHBondContact CB-O 3.48Å; P438-L443 WeakPolarHBondContact CG-O 3.47Å |
| 439 | A | 92.8 | Very high | 94.5 | Very high | 67 Ų | 67 | 37.7 Ų | 37.7 | 55% | 0.554 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -66.6 | -18.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L437 H479 | L437-A439 VanDerWaalsContact C-N 3.26Å; L437-A439 PolarHBondContact O-N 2.65Å; L437-A439 VanDerWaalsContact O-N 3.13Å; A439-H479 WeakPolarHBondContact CB-CE1 3.21Å; A439-H479 WeakPolarHBondContact CB-NE2 3.31Å |
| 440 | V | 93.8 | Very high | 94.2 | Very high | 71 Ų | 71 | 36.6 Ų | 36.6 | 43% | 0.43 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -106.5 | -50.8 | 179.1 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | N434 L437 P438 L495 | N434-V440 HydrophobicContact CB-CG1 3.92Å; L437-V440 HydrophobicContact CB-CB 4.43Å; L437-V440 HydrophobicContact CD2-CB 4.47Å; L437-V440 HydrophobicContact CD2-CG2 3.72Å; L437-V440 HydrophobicContact CG-CG2 4.24Å; L437-V440 PolarHBondContact O-N 3.47Å; P438-V440 PolarHBondContact O-N 2.97Å; V440-L495 HydrophobicContact CG2-CD1 4.19Å; V440-L495 HydrophobicContact CG2-CD2 4.03Å |
| 441 | S | 95.1 | Very high | 94.2 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 8% | 0.077 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.4 | -22.5 | -175.4 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | R377 L435 L437 L443 | R377-S441 PolarHBondContact NH2-O 3.29Å; L435-S441 WeakPolarHBondContact O-CB 3.25Å; L435-S441 PolarHBondContact O-OG 3Å; L437-S441 PolarHBondContact O-N 2.85Å; L437-S441 PolarHBondContact O-OG 2.86Å; L437-S441 VanDerWaalsContact O-OG 3.14Å; S441-L443 PolarHBondContact O-N 3.48Å; S441-L443 WeakPolarHBondContact OG-CB 3.41Å; S441-L443 PolarHBondContact OG-N 3.1Å; S441-L443 VanDerWaalsContact OG-N 3.16Å |
| 442 | G | 92.6 | Very high | 94.2 | Very high | 42 Ų | 42 | 32.5 Ų | 32.5 | 43% | 0.433 | 21% | 0.208 | S | C | . | . | trans | 63.1 | 16.4 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | R377 P438 | R377-G442 PolarHBondContact NH1-O 3.29Å; P438-G442 VanDerWaalsContact O-CA 3.22Å; P438-G442 WeakPolarHBondContact O-CA 3.43Å; P438-G442 PolarHBondContact O-N 3.29Å | ||
| 443 | L | 93.5 | Very high | 94 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | trans | -92.5 | 144.8 | 174 | -62.8 | 178.6 | 0 | 0 | 0 | 109.7 | R377 V381 L435 P438 S441 D447 I451 | R377-L443 HydrophobicContact CG-CD2 3.98Å; V381-L443 HydrophobicContact CG1-CD1 4.18Å; V381-L443 HydrophobicContact CG2-CD2 4.25Å; L435-L443 HydrophobicContact CB-CD1 4.34Å; L435-L443 HydrophobicContact CD2-CD1 4.08Å; P438-L443 WeakPolarHBondContact CA-O 2.99Å; P438-L443 VanDerWaalsContact CB-O 3.24Å; P438-L443 WeakPolarHBondContact CB-O 3.48Å; P438-L443 WeakPolarHBondContact CG-O 3.47Å; S441-L443 PolarHBondContact O-N 3.48Å; S441-L443 WeakPolarHBondContact OG-CB 3.41Å; S441-L443 PolarHBondContact OG-N 3.1Å; S441-L443 VanDerWaalsContact OG-N 3.16Å; L443-D447 HydrophobicContact CB-CB 3.95Å; L443-D447 HydrophobicContact CD2-CB 4.1Å; L443-I451 HydrophobicContact CD1-CD1 3.76Å | ||
| 444 | S | 90 | Very high | 94 | Very high | 53 Ų | 53 | 38.3 Ų | 38.3 | 37% | 0.371 | 24% | 0.236 | S | C | . | . | trans | -75.2 | 165.4 | 168.1 | 69.7 | 0 | 0 | 0 | 0 | 110.9 | V446 D447 Y448 | S444-V446 PolarHBondContact O-N 2.83Å; S444-D447 WeakPolarHBondContact CB-OD2 3.24Å; S444-D447 PolarHBondContact N-OD2 3.31Å; S444-D447 WeakPolarHBondContact O-CB 3.34Å; S444-D447 PolarHBondContact O-N 2.77Å; S444-D447 VanDerWaalsContact O-N 3.07Å; S444-D447 PolarHBondContact OG-N 3.44Å; S444-D447 VanDerWaalsContact OG-N 3.12Å; S444-D447 PolarHBondContact OG-OD2 3.14Å; S444-Y448 PolarHBondContact O-N 2.77Å | ||
| 445 | Q | 89.4 | Confident | 94 | Very high | 98 Ų | 98 | 38.1 Ų | 38.1 | 46% | 0.458 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.7 | -31.6 | 173.5 | -65.7 | -66.4 | 7.1 | 0 | 0 | 112.4 | Y448 A449 E476 | Q445-Y448 PolarHBondContact O-N 3.46Å; Q445-A449 WeakPolarHBondContact O-CB 3.31Å; Q445-A449 PolarHBondContact O-N 3.1Å; Q445-E476 PolarHBondContact NE2-OE1 2.88Å |
| 446 | V | 87.6 | Confident | 93.9 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 21% | 0.212 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 173.2 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | F372 S444 Y448 A449 | F372-V446 HydrophobicContact CB-CG1 4.13Å; F372-V446 HydrophobicContact CD1-CG2 4.2Å; S444-V446 PolarHBondContact O-N 2.83Å; V446-Y448 VanDerWaalsContact C-N 3.33Å; V446-Y448 PolarHBondContact O-N 3.23Å; V446-A449 PolarHBondContact O-N 2.96Å |
| 447 | D | 91.9 | Very high | 94 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.032 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | 176.3 | -63.3 | -56.1 | 0 | 0 | 0 | 111.7 | Q374 S375 L443 S444 I451 | Q374-D447 HydrophobicContact CG-CB 4.37Å; Q374-D447 VanDerWaalsContact CG-OD1 3.24Å; Q374-D447 WeakPolarHBondContact CG-OD1 3.34Å; Q374-D447 PolarHBondContact NE2-O 3.09Å; S375-D447 VanDerWaalsContact CB-OD1 3.3Å; S375-D447 WeakPolarHBondContact CB-OD1 3.26Å; S375-D447 PolarHBondContact N-OD1 3.08Å; S375-D447 PolarHBondContact OG-OD1 3.14Å; S375-D447 PolarHBondContact OG-OD2 3.17Å; L443-D447 HydrophobicContact CB-CB 3.95Å; L443-D447 HydrophobicContact CD2-CB 4.1Å; S444-D447 WeakPolarHBondContact CB-OD2 3.24Å; S444-D447 PolarHBondContact N-OD2 3.31Å; S444-D447 WeakPolarHBondContact O-CB 3.34Å; S444-D447 PolarHBondContact O-N 2.77Å; S444-D447 VanDerWaalsContact O-N 3.07Å; S444-D447 PolarHBondContact OG-N 3.44Å; S444-D447 VanDerWaalsContact OG-N 3.12Å; S444-D447 PolarHBondContact OG-OD2 3.14Å; D447-I451 WeakPolarHBondContact O-CD1 3.4Å |
| 448 | Y | 95.2 | Very high | 94 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70 | -35 | 179.7 | 179.1 | -114 | 0 | 0 | 0 | 112.8 | L435 F436 S444 Q445 V446 L450 I451 A452 C467 | L435-Y448 HydrophobicContact CB-CD2 4.11Å; L435-Y448 HydrophobicContact CB-CE2 4.21Å; F436-Y448 HydrophobicContact CB-CD1 3.87Å; F436-Y448 HydrophobicContact CB-CD2 4.1Å; F436-Y448 HydrophobicContact CB-CE1 3.43Å; F436-Y448 VanDerWaalsContact CB-CE1 3.43Å; F436-Y448 HydrophobicContact CB-CE2 3.68Å; F436-Y448 HydrophobicContact CB-CG 4.19Å; S444-Y448 PolarHBondContact O-N 2.77Å; Q445-Y448 PolarHBondContact O-N 3.46Å; V446-Y448 VanDerWaalsContact C-N 3.33Å; V446-Y448 PolarHBondContact O-N 3.23Å; Y448-L450 VanDerWaalsContact C-N 3.32Å; Y448-L450 PolarHBondContact O-N 3.15Å; Y448-I451 HydrophobicContact CD2-CB 4.34Å; Y448-I451 HydrophobicContact CD2-CG2 4.4Å; Y448-I451 CarbonylContact O-C 3.16Å; Y448-I451 WeakPolarHBondContact O-CA 3.4Å; Y448-I451 WeakPolarHBondContact O-CB 3.37Å; Y448-I451 PolarHBondContact O-N 3.36Å; Y448-A452 HydrophobicContact CD1-CB 4.44Å; Y448-A452 HydrophobicContact CE1-CB 3.98Å; Y448-A452 HydrophobicContact CE2-CB 4.41Å; Y448-A452 WeakPolarHBondContact O-CB 3.32Å; Y448-A452 PolarHBondContact O-N 3.22Å; Y448-C467 HydrophobicContact CE2-CB 4.45Å; Y448-C467 WeakPolarHBondContact OH-CB 3.27Å |
| 449 | A | 93.4 | Very high | 94 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.5 | -44.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q445 V446 I451 A452 E453 | Q445-A449 WeakPolarHBondContact O-CB 3.31Å; Q445-A449 PolarHBondContact O-N 3.1Å; V446-A449 PolarHBondContact O-N 2.96Å; A449-I451 VanDerWaalsContact C-N 3.32Å; A449-I451 PolarHBondContact O-N 3.47Å; A449-A452 PolarHBondContact O-N 2.76Å; A449-E453 PolarHBondContact O-N 2.74Å |
| 450 | L | 92.2 | Very high | 94 | Very high | 67 Ų | 67 | 47.5 Ų | 47.5 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.1 | -28 | 177 | -64.2 | 174.5 | 0 | 0 | 0 | 112.9 | Q374 L382 Y448 E454 | Q374-L450 HydrophobicContact CB-CD1 3.92Å; Q374-L450 HydrophobicContact CG-CD1 4.24Å; L382-L450 WeakPolarHBondContact CD1-O 3.19Å; L382-L450 HydrophobicContact CD2-CB 4.06Å; Y448-L450 VanDerWaalsContact C-N 3.32Å; Y448-L450 PolarHBondContact O-N 3.15Å; L450-E454 PolarHBondContact O-N 2.89Å |
| 451 | I | 96.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.6 | -42.7 | 173.3 | -66.1 | 164.8 | 0 | 0 | 0 | 109.9 | V381 L382 V385 L435 L443 D447 Y448 A449 E453 E454 T455 | V381-I451 HydrophobicContact CB-CD1 4.15Å; V381-I451 HydrophobicContact CG1-CD1 3.66Å; L382-I451 HydrophobicContact CB-CG1 4.01Å; L382-I451 HydrophobicContact CD1-CG1 4.03Å; V385-I451 HydrophobicContact CG1-CG2 4.31Å; V385-I451 HydrophobicContact CG2-CG2 4.04Å; L435-I451 HydrophobicContact CD1-CG2 4.1Å; L443-I451 HydrophobicContact CD1-CD1 3.76Å; D447-I451 WeakPolarHBondContact O-CD1 3.4Å; Y448-I451 HydrophobicContact CD2-CB 4.34Å; Y448-I451 HydrophobicContact CD2-CG2 4.4Å; Y448-I451 CarbonylContact O-C 3.16Å; Y448-I451 WeakPolarHBondContact O-CA 3.4Å; Y448-I451 WeakPolarHBondContact O-CB 3.37Å; Y448-I451 PolarHBondContact O-N 3.36Å; A449-I451 VanDerWaalsContact C-N 3.32Å; A449-I451 PolarHBondContact O-N 3.47Å; I451-E453 VanDerWaalsContact C-N 3.32Å; I451-E453 PolarHBondContact O-N 3Å; I451-E454 WeakPolarHBondContact O-CB 3.32Å; I451-E454 PolarHBondContact O-N 2.93Å; I451-E454 VanDerWaalsContact O-N 3.11Å; I451-T455 HydrophobicContact CG2-CG2 4.34Å; I451-T455 WeakPolarHBondContact O-CG2 3.48Å; I451-T455 PolarHBondContact O-N 2.91Å; I451-T455 PolarHBondContact O-OG1 2.97Å |
| 452 | A | 96.6 | Very high | 94.3 | Very high | 31 Ų | 31 | 44.8 Ų | 44.8 | 26% | 0.256 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y448 A449 E454 T455 G456 | Y448-A452 HydrophobicContact CD1-CB 4.44Å; Y448-A452 HydrophobicContact CE1-CB 3.98Å; Y448-A452 HydrophobicContact CE2-CB 4.41Å; Y448-A452 WeakPolarHBondContact O-CB 3.32Å; Y448-A452 PolarHBondContact O-N 3.22Å; A449-A452 PolarHBondContact O-N 2.76Å; A452-E454 VanDerWaalsContact C-N 3.33Å; A452-E454 PolarHBondContact O-N 3.35Å; A452-T455 PolarHBondContact O-N 2.92Å; A452-T455 PolarHBondContact O-OG1 3.48Å; A452-T455 VanDerWaalsContact O-OG1 3.07Å; A452-G456 PolarHBondContact O-N 2.81Å |
| 453 | E | 95.5 | Very high | 94.4 | Very high | 136 Ų | 136 | 43.8 Ų | 43.8 | 64% | 0.636 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -56.9 | -44.6 | 172.4 | -173.7 | -172.9 | 170.2 | 0 | 0 | 112 | A449 I451 G456 | A449-E453 PolarHBondContact O-N 2.74Å; I451-E453 VanDerWaalsContact C-N 3.32Å; I451-E453 PolarHBondContact O-N 3Å; E453-G456 PolarHBondContact O-N 3.38Å |
| 454 | E | 96.9 | Very high | 94.6 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -49.5 | 177.9 | -173.5 | 64.1 | -141.7 | 0 | 0 | 112.1 | L382 V385 K386 M389 L450 I451 A452 G456 K457 | L382-E454 HydrophobicContact CD1-CB 3.97Å; L382-E454 HydrophobicContact CD1-CG 4.47Å; V385-E454 HydrophobicContact CG1-CG 4.25Å; K386-E454 WeakPolarHBondContact CE-OE2 3.4Å; K386-E454 VanDerWaalsContact CG-CD 3.46Å; K386-E454 HydrophobicContact CG-CG 3.68Å; M389-E454 HydrophobicContact CG-CG 4.36Å; L450-E454 PolarHBondContact O-N 2.89Å; I451-E454 WeakPolarHBondContact O-CB 3.32Å; I451-E454 PolarHBondContact O-N 2.93Å; I451-E454 VanDerWaalsContact O-N 3.11Å; A452-E454 VanDerWaalsContact C-N 3.33Å; A452-E454 PolarHBondContact O-N 3.35Å; E454-G456 VanDerWaalsContact C-N 3.26Å; E454-G456 PolarHBondContact O-N 2.91Å; E454-K457 WeakPolarHBondContact O-CB 3.24Å; E454-K457 WeakPolarHBondContact O-CG 3.39Å; E454-K457 PolarHBondContact O-N 3.02Å; E454-K457 WeakPolarHBondContact OE1-CD 3.35Å; E454-K457 IonicContact OE1-NZ 2.88Å; E454-K457 PolarHBondContact OE1-NZ 2.86Å; E454-K457 IonicContact OE2-NZ 2.75Å; E454-K457 PolarHBondContact OE2-NZ 3.36Å |
| 455 | T | 97.5 | Very high | 95 | Very high | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.6 | -31 | 179.5 | 62.3 | 0 | 0 | 0 | 0 | 111.9 | V385 I451 A452 K457 C458 A461 F465 | V385-T455 HydrophobicContact CG1-CG2 3.84Å; I451-T455 HydrophobicContact CG2-CG2 4.34Å; I451-T455 WeakPolarHBondContact O-CG2 3.48Å; I451-T455 PolarHBondContact O-N 2.91Å; I451-T455 PolarHBondContact O-OG1 2.97Å; A452-T455 PolarHBondContact O-N 2.92Å; A452-T455 PolarHBondContact O-OG1 3.48Å; A452-T455 VanDerWaalsContact O-OG1 3.07Å; T455-K457 PolarHBondContact O-N 3.1Å; T455-K457 VanDerWaalsContact O-N 3.07Å; T455-C458 PolarHBondContact O-N 3.45Å; T455-C458 VanDerWaalsContact O-O 3.1Å; T455-A461 WeakPolarHBondContact O-CB 3.39Å; T455-F465 HydrophobicContact CG2-CD2 3.54Å; T455-F465 HydrophobicContact CG2-CE2 3.55Å |
| 456 | G | 96.6 | Very high | 95.4 | Very high | 54 Ų | 54 | 36.6 Ų | 36.6 | 56% | 0.557 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -11.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A452 E453 E454 C458 | A452-G456 PolarHBondContact O-N 2.81Å; E453-G456 PolarHBondContact O-N 3.38Å; E454-G456 VanDerWaalsContact C-N 3.26Å; E454-G456 PolarHBondContact O-N 2.91Å; G456-C458 PolarHBondContact O-N 3.24Å |
| 457 | K | 96.9 | Very high | 95.8 | Very high | 120 Ų | 120 | 35.4 Ų | 35.4 | 52% | 0.522 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.1 | 174.6 | -65.7 | 174.7 | -175.8 | 171.4 | 0 | 113.5 | F394 E454 T455 | F394-K457 HydrophobicContact CE1-CB 4.38Å; F394-K457 HydrophobicContact CZ-CB 4.44Å; E454-K457 WeakPolarHBondContact O-CB 3.24Å; E454-K457 WeakPolarHBondContact O-CG 3.39Å; E454-K457 PolarHBondContact O-N 3.02Å; E454-K457 WeakPolarHBondContact OE1-CD 3.35Å; E454-K457 IonicContact OE1-NZ 2.88Å; E454-K457 PolarHBondContact OE1-NZ 2.86Å; E454-K457 IonicContact OE2-NZ 2.75Å; E454-K457 PolarHBondContact OE2-NZ 3.36Å; T455-K457 PolarHBondContact O-N 3.1Å; T455-K457 VanDerWaalsContact O-N 3.07Å |
| 458 | C | 96.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -134.9 | 125.6 | 178.5 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | M389 V393 F394 E397 T455 G456 F460 A461 P462 | M389-C458 HydrophobicContact CE-CB 3.94Å; V393-C458 HydrophobicContact CG1-CB 4.1Å; F394-C458 HydrophobicContact CD1-CB 4.47Å; F394-C458 HydrophobicContact CE1-CB 4.2Å; E397-C458 PolarHBondContact OE1-SG 2.82Å; T455-C458 PolarHBondContact O-N 3.45Å; T455-C458 VanDerWaalsContact O-O 3.1Å; G456-C458 PolarHBondContact O-N 3.24Å; C458-F460 VanDerWaalsContact C-N 3.26Å; C458-F460 PolarHBondContact O-N 3.13Å; C458-F460 VanDerWaalsContact O-N 3.11Å; C458-F460 VanDerWaalsContact SG-CD1 3.54Å; C458-F460 WeakPolarHBondContact SG-CE1 3.49Å; C458-A461 HydrophobicContact CB-CB 4Å; C458-A461 WeakPolarHBondContact O-CB 3.15Å; C458-A461 PolarHBondContact O-N 3.07Å; C458-P462 WeakPolarHBondContact O-CD 3.21Å |
| 459 | F | 93.1 | Very high | 95.5 | Very high | 145 Ų | 145 | 38.7 Ų | 38.7 | 64% | 0.636 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.3 | -164.5 | 80.4 | -86.1 | 0 | 0 | 0 | 114.9 | V400 Y404 | V400-F459 HydrophobicContact CG1-CE1 4.22Å; V400-F459 HydrophobicContact CG1-CZ 3.75Å; Y404-F459 HydrophobicContact CD2-CE2 4.45Å; Y404-F459 AromaticContact CD2-CZ 3.96Å; Y404-F459 HydrophobicContact CD2-CZ 3.96Å; Y404-F459 HydrophobicContact CE2-CE2 4.02Å; Y404-F459 AromaticContact CE2-CZ 3.83Å; Y404-F459 HydrophobicContact CE2-CZ 3.83Å |
| 460 | F | 94.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -7.1 | 179.1 | 68.9 | -94.3 | 0 | 0 | 0 | 113.3 | V393 A396 E397 V400 I420 L423 C458 D463 V464 | V393-F460 HydrophobicContact CG1-CE2 3.79Å; V393-F460 HydrophobicContact CG1-CZ 3.87Å; A396-F460 HydrophobicContact CB-CZ 4.27Å; E397-F460 HydrophobicContact CG-CE1 4.03Å; E397-F460 HydrophobicContact CG-CZ 4.33Å; V400-F460 HydrophobicContact CB-CD1 4.17Å; V400-F460 HydrophobicContact CB-CE1 3.93Å; V400-F460 HydrophobicContact CB-CZ 4.44Å; V400-F460 HydrophobicContact CG1-CD1 3.73Å; V400-F460 HydrophobicContact CG1-CE1 4.03Å; V400-F460 HydrophobicContact CG1-CG 4.25Å; V400-F460 HydrophobicContact CG2-CD1 4.23Å; V400-F460 HydrophobicContact CG2-CE1 3.89Å; V400-F460 HydrophobicContact CG2-CE2 4.23Å; V400-F460 HydrophobicContact CG2-CZ 3.91Å; I420-F460 HydrophobicContact CD1-CB 3.81Å; I420-F460 HydrophobicContact CD1-CD2 3.92Å; I420-F460 HydrophobicContact CD1-CG 3.99Å; I420-F460 HydrophobicContact CG1-CD2 3.89Å; I420-F460 HydrophobicContact CG1-CE2 4.41Å; I420-F460 HydrophobicContact CG1-CG 4.44Å; L423-F460 HydrophobicContact CD1-CE2 4.04Å; C458-F460 VanDerWaalsContact C-N 3.26Å; C458-F460 PolarHBondContact O-N 3.13Å; C458-F460 VanDerWaalsContact O-N 3.11Å; C458-F460 VanDerWaalsContact SG-CD1 3.54Å; C458-F460 WeakPolarHBondContact SG-CE1 3.49Å; F460-D463 VanDerWaalsContact O-CB 3.31Å; F460-D463 WeakPolarHBondContact O-CB 3.43Å; F460-D463 PolarHBondContact O-N 2.92Å; F460-D463 VanDerWaalsContact O-N 3.11Å; F460-V464 HydrophobicContact CD2-CG2 4.04Å; F460-V464 HydrophobicContact CE2-CG2 4.3Å; F460-V464 PolarHBondContact O-N 3.47Å |
| 461 | A | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -36.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | M389 V393 T455 C458 D463 V464 F465 | M389-A461 HydrophobicContact CE-CB 3.75Å; M389-A461 HydrophobicContact SD-CB 3.67Å; V393-A461 HydrophobicContact CG1-CB 3.78Å; T455-A461 WeakPolarHBondContact O-CB 3.39Å; C458-A461 HydrophobicContact CB-CB 4Å; C458-A461 WeakPolarHBondContact O-CB 3.15Å; C458-A461 PolarHBondContact O-N 3.07Å; A461-D463 PolarHBondContact O-N 3.29Å; A461-V464 WeakPolarHBondContact O-CB 3.41Å; A461-V464 PolarHBondContact O-N 3.03Å; A461-V464 VanDerWaalsContact O-N 3.08Å; A461-F465 HydrophobicContact CB-CE2 4.43Å; A461-F465 WeakPolarHBondContact O-CD2 3.14Å; A461-F465 PolarHBondContact O-N 3.41Å |
| 462 | P | 96.9 | Very high | 95.1 | Very high | 26 Ų | 26 | 36.4 Ų | 36.4 | 17% | 0.169 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.5 | -35.7 | 173.1 | -28.1 | 37.2 | 0 | 0 | 0 | 113.2 | C458 V464 F465 N466 C467 Q468 | C458-P462 WeakPolarHBondContact O-CD 3.21Å; P462-V464 VanDerWaalsContact C-N 3.33Å; P462-V464 PolarHBondContact O-N 3.49Å; P462-F465 PolarHBondContact O-N 2.67Å; P462-N466 PolarHBondContact O-N 3.47Å; P462-C467 CarbonylContact O-C 3.55Å; P462-C467 WeakPolarHBondContact O-CA 3.45Å; P462-C467 PolarHBondContact O-N 2.8Å; P462-Q468 HydrophobicContact CB-CB 4.18Å; P462-Q468 PolarHBondContact O-N 3.45Å; P462-Q468 PolarHBondContact O-OE1 3.38Å |
| 463 | D | 94.8 | Very high | 94.8 | Very high | 20 Ų | 20 | 36.5 Ų | 36.5 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -39.7 | 176.9 | -169.6 | 20.4 | 0 | 0 | 0 | 111.9 | H416 I420 K424 F460 A461 F465 N466 Q468 | H416-D463 IonicContact ND1-OD2 2.88Å; I420-D463 WeakPolarHBondContact CG2-OD2 3.5Å; K424-D463 WeakPolarHBondContact CE-O 3.5Å; K424-D463 WeakPolarHBondContact CE-OD1 3.39Å; K424-D463 VanDerWaalsContact NZ-CG 3.34Å; K424-D463 IonicContact NZ-OD1 2.72Å; K424-D463 PolarHBondContact NZ-OD1 3.29Å; K424-D463 IonicContact NZ-OD2 3.2Å; K424-D463 PolarHBondContact NZ-OD2 3.03Å; F460-D463 VanDerWaalsContact O-CB 3.31Å; F460-D463 WeakPolarHBondContact O-CB 3.43Å; F460-D463 PolarHBondContact O-N 2.92Å; F460-D463 VanDerWaalsContact O-N 3.11Å; A461-D463 PolarHBondContact O-N 3.29Å; D463-F465 PolarHBondContact O-N 3.04Å; D463-N466 PolarHBondContact O-N 2.9Å; D463-N466 VanDerWaalsContact O-N 3.16Å; D463-Q468 VanDerWaalsContact CA-OE1 3.27Å; D463-Q468 HydrophobicContact CB-CB 4.36Å; D463-Q468 HydrophobicContact CB-CG 4.42Å |
| 464 | V | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.7 | -29.6 | 177.5 | 174 | 0 | 0 | 0 | 0 | 112.8 | F388 I420 L423 A427 W433 F460 A461 P462 | F388-V464 HydrophobicContact CE1-CG1 3.69Å; F388-V464 HydrophobicContact CZ-CG1 4.06Å; I420-V464 HydrophobicContact CG2-CG2 4.35Å; L423-V464 HydrophobicContact CB-CB 4.4Å; L423-V464 HydrophobicContact CB-CG1 3.68Å; L423-V464 HydrophobicContact CB-CG2 3.84Å; L423-V464 HydrophobicContact CD1-CG2 4.08Å; A427-V464 HydrophobicContact CB-CG1 4.03Å; A427-V464 WeakPolarHBondContact CB-O 3.24Å; W433-V464 WeakPolarHBondContact CZ3-O 3.27Å; F460-V464 HydrophobicContact CD2-CG2 4.04Å; F460-V464 HydrophobicContact CE2-CG2 4.3Å; F460-V464 PolarHBondContact O-N 3.47Å; A461-V464 WeakPolarHBondContact O-CB 3.41Å; A461-V464 PolarHBondContact O-N 3.03Å; A461-V464 VanDerWaalsContact O-N 3.08Å; P462-V464 VanDerWaalsContact C-N 3.33Å; P462-V464 PolarHBondContact O-N 3.49Å |
| 465 | F | 98.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 5.2 | -178.2 | -56.8 | -69.2 | 0 | 0 | 0 | 113.6 | V385 F388 M389 A427 L432 N434 T455 A461 P462 D463 C467 | V385-F465 HydrophobicContact CG1-CE2 4.35Å; V385-F465 HydrophobicContact CG1-CZ 4.11Å; F388-F465 AromaticContact CD1-CE1 3.68Å; F388-F465 HydrophobicContact CD1-CE1 3.68Å; F388-F465 AromaticContact CD1-CZ 3.52Å; F388-F465 HydrophobicContact CD1-CZ 3.52Å; F388-F465 HydrophobicContact CE1-CE1 4.02Å; F388-F465 HydrophobicContact CE1-CZ 4.02Å; F388-F465 HydrophobicContact CG-CE1 4.07Å; F388-F465 HydrophobicContact CG-CZ 4.2Å; M389-F465 HydrophobicContact SD-CE2 3.86Å; M389-F465 HydrophobicContact SD-CZ 4.2Å; A427-F465 HydrophobicContact CB-CD1 3.94Å; A427-F465 HydrophobicContact CB-CE1 4.2Å; L432-F465 HydrophobicContact CB-CD1 3.78Å; L432-F465 HydrophobicContact CB-CE1 3.94Å; L432-F465 HydrophobicContact CD1-CE1 4.05Å; L432-F465 WeakPolarHBondContact O-CB 3.46Å; L432-F465 WeakPolarHBondContact O-CD1 3.29Å; N434-F465 PolarHBondContact N-O 3.01Å; T455-F465 HydrophobicContact CG2-CD2 3.54Å; T455-F465 HydrophobicContact CG2-CE2 3.55Å; A461-F465 HydrophobicContact CB-CE2 4.43Å; A461-F465 WeakPolarHBondContact O-CD2 3.14Å; A461-F465 PolarHBondContact O-N 3.41Å; P462-F465 PolarHBondContact O-N 2.67Å; D463-F465 PolarHBondContact O-N 3.04Å; F465-C467 VanDerWaalsContact C-N 3.28Å; F465-C467 HydrophobicContact CB-CB 4.28Å; F465-C467 PolarHBondContact O-N 3.23Å; F465-C467 PolarHBondContact O-SG 3.45Å; F465-C467 VanDerWaalsContact O-SG 3.4Å |
| 466 | N | 97.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 40.7 | -169.5 | -151.6 | 34 | 0 | 0 | 0 | 113.7 | W433 N434 F436 P462 D463 Q468 L494 | W433-N466 HydrophobicContact CD2-CB 3.67Å; W433-N466 HydrophobicContact CE3-CB 3.93Å; W433-N466 HydrophobicContact CG-CB 4.38Å; W433-N466 HydrophobicContact CH2-CB 3.65Å; W433-N466 HydrophobicContact CZ2-CB 3.37Å; W433-N466 HydrophobicContact CZ3-CB 3.92Å; N434-N466 WeakPolarHBondContact OD1-CB 3.36Å; N434-N466 PolarHBondContact OD1-ND2 3.12Å; F436-N466 WeakPolarHBondContact CE1-O 3.36Å; P462-N466 PolarHBondContact O-N 3.47Å; D463-N466 PolarHBondContact O-N 2.9Å; D463-N466 VanDerWaalsContact O-N 3.16Å; N466-Q468 PolarHBondContact OD1-NE2 2.61Å; N466-Q468 VanDerWaalsContact OD1-NE2 3.16Å; N466-L494 PolarHBondContact ND2-O 3.32Å |
| 467 | C | 96.8 | Very high | 94.4 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | trans | -120.5 | 13.2 | -174.7 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | L435 Y448 P462 F465 T472 | L435-C467 PolarHBondContact N-SG 3.3Å; Y448-C467 HydrophobicContact CE2-CB 4.45Å; Y448-C467 WeakPolarHBondContact OH-CB 3.27Å; P462-C467 CarbonylContact O-C 3.55Å; P462-C467 WeakPolarHBondContact O-CA 3.45Å; P462-C467 PolarHBondContact O-N 2.8Å; F465-C467 VanDerWaalsContact C-N 3.28Å; F465-C467 HydrophobicContact CB-CB 4.28Å; F465-C467 PolarHBondContact O-N 3.23Å; F465-C467 PolarHBondContact O-SG 3.45Å; F465-C467 VanDerWaalsContact O-SG 3.4Å; C467-T472 VanDerWaalsContact O-CG2 3.27Å; C467-T472 WeakPolarHBondContact O-CG2 3.38Å | ||
| 468 | Q | 92.8 | Very high | 94.3 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | trans | -78.2 | 144.7 | 178.8 | 70.7 | -70.3 | -5.8 | 0 | 0 | 112.7 | P462 D463 N466 D471 T472 | P462-Q468 HydrophobicContact CB-CB 4.18Å; P462-Q468 PolarHBondContact O-N 3.45Å; P462-Q468 PolarHBondContact O-OE1 3.38Å; D463-Q468 VanDerWaalsContact CA-OE1 3.27Å; D463-Q468 HydrophobicContact CB-CB 4.36Å; D463-Q468 HydrophobicContact CB-CG 4.42Å; N466-Q468 PolarHBondContact OD1-NE2 2.61Å; N466-Q468 VanDerWaalsContact OD1-NE2 3.16Å; Q468-D471 PolarHBondContact NE2-OD2 3.24Å; Q468-D471 WeakPolarHBondContact O-CB 3.34Å; Q468-D471 PolarHBondContact O-N 2.98Å; Q468-D471 VanDerWaalsContact O-N 3.1Å; Q468-T472 PolarHBondContact O-N 3.21Å; Q468-T472 VanDerWaalsContact O-N 3.11Å | ||
| 469 | A | 88.4 | Confident | 94.3 | Very high | 86 Ų | 86 | 34.6 Ų | 34.6 | 71% | 0.711 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | 145.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 470 | P | 88.8 | Confident | 94.3 | Very high | 45 Ų | 45 | 32.8 Ų | 32.8 | 29% | 0.292 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -88.1 | 0.8 | 5.2 | 35.8 | -35.9 | 0 | 0 | 0 | 115 | T472 G473 N474 S501 F503 | P470-T472 PolarHBondContact O-N 3.22Å; P470-G473 PolarHBondContact O-N 3.42Å; P470-N474 PolarHBondContact O-N 3.39Å; P470-N474 PolarHBondContact O-ND2 2.88Å; P470-S501 VanDerWaalsContact CG-O 3.28Å; P470-S501 WeakPolarHBondContact CG-O 3.28Å; P470-F503 HydrophobicContact CB-CB 3.86Å; P470-F503 HydrophobicContact CG-CB 4.12Å |
| 471 | D | 92.4 | Very high | 94.4 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | -172.4 | -69.9 | -28.3 | 0 | 0 | 0 | 113.4 | Q468 G473 N474 M475 S501 | Q468-D471 PolarHBondContact NE2-OD2 3.24Å; Q468-D471 WeakPolarHBondContact O-CB 3.34Å; Q468-D471 PolarHBondContact O-N 2.98Å; Q468-D471 VanDerWaalsContact O-N 3.1Å; D471-G473 PolarHBondContact O-N 3.06Å; D471-N474 PolarHBondContact O-N 2.65Å; D471-M475 HydrophobicContact CB-CE 3.85Å; D471-M475 WeakPolarHBondContact O-CB 3.44Å; D471-M475 VanDerWaalsContact O-CG 3.27Å; D471-M475 WeakPolarHBondContact O-CG 3.47Å; D471-M475 PolarHBondContact O-N 2.87Å; D471-S501 WeakPolarHBondContact CA-OG 3.26Å; D471-S501 WeakPolarHBondContact OD1-CA 3.5Å; D471-S501 WeakPolarHBondContact OD1-CB 3.31Å; D471-S501 PolarHBondContact OD1-N 3.3Å; D471-S501 PolarHBondContact OD1-OG 2.94Å |
| 472 | T | 93.1 | Very high | 94.2 | Very high | 27 Ų | 27 | 41.4 Ų | 41.4 | 17% | 0.166 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.5 | -49.9 | 178.8 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | F436 C467 Q468 P470 N474 M475 E476 | F436-T472 HydrophobicContact CB-CG2 4.25Å; F436-T472 HydrophobicContact CD1-CG2 3.53Å; F436-T472 HydrophobicContact CD2-CG2 3.82Å; F436-T472 HydrophobicContact CE1-CG2 3.77Å; F436-T472 HydrophobicContact CE2-CG2 4.02Å; F436-T472 VanDerWaalsContact CE2-O 3.3Å; F436-T472 WeakPolarHBondContact CE2-O 3.22Å; F436-T472 HydrophobicContact CG-CG2 3.57Å; F436-T472 HydrophobicContact CZ-CG2 4.02Å; C467-T472 VanDerWaalsContact O-CG2 3.27Å; C467-T472 WeakPolarHBondContact O-CG2 3.38Å; Q468-T472 PolarHBondContact O-N 3.21Å; Q468-T472 VanDerWaalsContact O-N 3.11Å; P470-T472 PolarHBondContact O-N 3.22Å; T472-N474 PolarHBondContact O-N 3.1Å; T472-M475 PolarHBondContact O-N 2.69Å; T472-E476 WeakPolarHBondContact O-CG 3.47Å; T472-E476 PolarHBondContact O-N 3.36Å |
| 473 | G | 90.4 | Very high | 94.1 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 34% | 0.34 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P470 D471 E476 V477 | P470-G473 PolarHBondContact O-N 3.42Å; D471-G473 PolarHBondContact O-N 3.06Å; G473-E476 PolarHBondContact O-N 3.03Å; G473-V477 WeakPolarHBondContact O-CG2 3.32Å; G473-V477 PolarHBondContact O-N 2.9Å |
| 474 | N | 92.1 | Very high | 94.2 | Very high | 48 Ų | 48 | 48.5 Ų | 48.5 | 26% | 0.257 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 178.2 | -75.4 | -33.4 | 0 | 0 | 0 | 112.1 | P470 D471 T472 V477 L478 S501 | P470-N474 PolarHBondContact O-N 3.39Å; P470-N474 PolarHBondContact O-ND2 2.88Å; D471-N474 PolarHBondContact O-N 2.65Å; T472-N474 PolarHBondContact O-N 3.1Å; N474-V477 PolarHBondContact O-N 2.94Å; N474-L478 WeakPolarHBondContact O-CB 3.32Å; N474-L478 WeakPolarHBondContact O-CG 3.38Å; N474-L478 PolarHBondContact O-N 2.92Å; N474-S501 VanDerWaalsContact ND2-CB 3.3Å; N474-S501 WeakPolarHBondContact ND2-CB 3.38Å; N474-S501 PolarHBondContact ND2-OG 2.96Å |
| 475 | M | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 173.6 | -75.1 | -167.8 | -90.5 | 0 | 0 | 111.9 | F436 D471 T472 H479 L491 L494 L495 | F436-M475 HydrophobicContact CE1-CE 3.55Å; F436-M475 HydrophobicContact CE1-SD 4.27Å; F436-M475 HydrophobicContact CE2-CB 4.15Å; F436-M475 HydrophobicContact CZ-CB 3.77Å; F436-M475 HydrophobicContact CZ-CE 3.41Å; F436-M475 VanDerWaalsContact CZ-CE 3.41Å; F436-M475 HydrophobicContact CZ-CG 4.34Å; F436-M475 HydrophobicContact CZ-SD 3.8Å; D471-M475 HydrophobicContact CB-CE 3.85Å; D471-M475 WeakPolarHBondContact O-CB 3.44Å; D471-M475 VanDerWaalsContact O-CG 3.27Å; D471-M475 WeakPolarHBondContact O-CG 3.47Å; D471-M475 PolarHBondContact O-N 2.87Å; T472-M475 PolarHBondContact O-N 2.69Å; M475-H479 WeakPolarHBondContact O-CB 3.49Å; M475-H479 PolarHBondContact O-N 3.49Å; M475-L491 HydrophobicContact CB-CD1 3.83Å; M475-L491 HydrophobicContact CG-CD1 3.94Å; M475-L491 WeakPolarHBondContact O-CD1 3.44Å; M475-L494 HydrophobicContact CG-CB 3.65Å; M475-L494 HydrophobicContact CG-CD1 4Å; M475-L494 HydrophobicContact CG-CG 4.37Å; M475-L494 HydrophobicContact SD-CB 3.81Å; M475-L495 HydrophobicContact SD-CD2 3.61Å; M475-L495 HydrophobicContact SD-CG 4.03Å |
| 476 | E | 94.7 | Very high | 94.1 | Very high | 65 Ų | 65 | 59.2 Ų | 59.2 | 30% | 0.304 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.2 | -75.9 | -174.4 | 161.1 | 0 | 0 | 112.2 | F436 L437 Q445 T472 G473 H479 L480 | F436-E476 HydrophobicContact CD2-CG 4.24Å; F436-E476 HydrophobicContact CE2-CG 3.99Å; L437-E476 HydrophobicContact CD1-CG 4.04Å; Q445-E476 PolarHBondContact NE2-OE1 2.88Å; T472-E476 WeakPolarHBondContact O-CG 3.47Å; T472-E476 PolarHBondContact O-N 3.36Å; G473-E476 PolarHBondContact O-N 3.03Å; E476-H479 PolarHBondContact O-N 3.43Å; E476-L480 WeakPolarHBondContact O-CB 3.23Å; E476-L480 WeakPolarHBondContact O-CG 3.45Å; E476-L480 PolarHBondContact O-N 3.27Å |
| 477 | V | 93.7 | Very high | 94.1 | Very high | 82 Ų | 82 | 61.4 Ų | 61.4 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 178.6 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | G473 N474 H479 L480 Y481 | G473-V477 WeakPolarHBondContact O-CG2 3.32Å; G473-V477 PolarHBondContact O-N 2.9Å; N474-V477 PolarHBondContact O-N 2.94Å; V477-H479 VanDerWaalsContact C-N 3.33Å; V477-H479 PolarHBondContact O-N 3.18Å; V477-L480 PolarHBondContact O-N 3.46Å; V477-Y481 HydrophobicContact CG1-CD2 4.4Å; V477-Y481 PolarHBondContact O-N 3.49Å |
| 478 | L | 95.9 | Very high | 94.1 | Very high | 31 Ų | 31 | 68 Ų | 68 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 176.9 | -72.6 | 167.7 | 0 | 0 | 0 | 112 | N474 G482 Q486 W490 L491 L494 | N474-L478 WeakPolarHBondContact O-CB 3.32Å; N474-L478 WeakPolarHBondContact O-CG 3.38Å; N474-L478 PolarHBondContact O-N 2.92Å; L478-G482 VanDerWaalsContact O-CA 3.23Å; L478-G482 WeakPolarHBondContact O-CA 3.44Å; L478-G482 PolarHBondContact O-N 2.95Å; L478-Q486 HydrophobicContact CD2-CB 4.29Å; L478-W490 HydrophobicContact CD1-CB 3.78Å; L478-W490 HydrophobicContact CD2-CB 4.45Å; L478-L491 HydrophobicContact CB-CB 4.03Å; L478-L491 HydrophobicContact CB-CD1 4.26Å; L478-L491 HydrophobicContact CD1-CB 4.31Å; L478-L494 HydrophobicContact CD1-CD1 3.91Å |
| 479 | H | 95.8 | Very high | 94.3 | Very high | 67 Ų | 67 | 71.6 Ų | 71.6 | 31% | 0.31 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 177.2 | 175.3 | 67 | 0 | 0 | 0 | 111.8 | L437 A439 M475 E476 V477 K487 L491 | L437-H479 HydrophobicContact CD1-CB 4.34Å; L437-H479 HydrophobicContact CD2-CB 4.46Å; A439-H479 WeakPolarHBondContact CB-CE1 3.21Å; A439-H479 WeakPolarHBondContact CB-NE2 3.31Å; M475-H479 WeakPolarHBondContact O-CB 3.49Å; M475-H479 PolarHBondContact O-N 3.49Å; E476-H479 PolarHBondContact O-N 3.43Å; V477-H479 VanDerWaalsContact C-N 3.33Å; V477-H479 PolarHBondContact O-N 3.18Å; H479-K487 WeakPolarHBondContact O-CE 3.44Å; H479-L491 HydrophobicContact CB-CD2 4.03Å |
| 480 | L | 93.8 | Very high | 94.7 | Very high | 108 Ų | 108 | 72.4 Ų | 72.4 | 57% | 0.565 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -77.6 | -38.2 | -175.5 | -68.6 | 173.8 | 0 | 0 | 0 | 113.4 | E476 V477 | E476-L480 WeakPolarHBondContact O-CB 3.23Å; E476-L480 WeakPolarHBondContact O-CG 3.45Å; E476-L480 PolarHBondContact O-N 3.27Å; V477-L480 PolarHBondContact O-N 3.46Å |
| 481 | Y | 94.8 | Very high | 95.1 | Very high | 180 Ų | 180 | 70.7 Ų | 70.7 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -127.7 | -9.4 | -166 | -51.5 | -68.2 | 0 | 0 | 0 | 114.5 | V477 | V477-Y481 HydrophobicContact CG1-CD2 4.4Å; V477-Y481 PolarHBondContact O-N 3.49Å |
| 482 | G | 94.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 74.7 Ų | 74.7 | 9% | 0.093 | 37% | 0.365 | C | S | . | . | trans | -64.8 | 139.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L478 K487 | L478-G482 VanDerWaalsContact O-CA 3.23Å; L478-G482 WeakPolarHBondContact O-CA 3.44Å; L478-G482 PolarHBondContact O-N 2.95Å; G482-K487 WeakPolarHBondContact O-CE 3.23Å; G482-K487 PolarHBondContact O-NZ 3.31Å | ||
| 483 | S | 95.1 | Very high | 95.6 | Very high | 55 Ų | 55 | 74.1 Ų | 74.1 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | trans | -61.9 | 161.4 | 162.8 | 62.3 | 0 | 0 | 0 | 0 | 111 | Q485 Q486 K487 | S483-Q485 VanDerWaalsContact C-N 3.25Å; S483-Q485 PolarHBondContact O-N 3.15Å; S483-Q486 CarbonylContact O-C 3.58Å; S483-Q486 WeakPolarHBondContact O-CA 3.13Å; S483-Q486 WeakPolarHBondContact O-CB 3.13Å; S483-Q486 PolarHBondContact O-N 2.98Å; S483-Q486 WeakPolarHBondContact OG-CB 3.26Å; S483-Q486 VanDerWaalsContact OG-CD 3.32Å; S483-Q486 VanDerWaalsContact OG-CG 3.28Å; S483-Q486 WeakPolarHBondContact OG-CG 3.28Å; S483-Q486 PolarHBondContact OG-N 3.2Å; S483-Q486 PolarHBondContact OG-OE1 3.42Å; S483-K487 PolarHBondContact O-N 2.86Å | ||
| 484 | E | 96.9 | Very high | 95.9 | Very high | 140 Ų | 140 | 73 Ų | 73 | 65% | 0.654 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.2 | -37.5 | 178.3 | -64.4 | -54.5 | 113.5 | 0 | 0 | 112.6 | Q486 K487 K488 | E484-Q486 VanDerWaalsContact C-N 3.31Å; E484-Q486 PolarHBondContact O-N 3.24Å; E484-K487 PolarHBondContact O-N 2.91Å; E484-K487 IonicContact OE1-NZ 3.5Å; E484-K487 PolarHBondContact OE1-NZ 3Å; E484-K488 WeakPolarHBondContact O-CB 3.47Å; E484-K488 PolarHBondContact O-N 3.4Å; E484-K488 VanDerWaalsContact O-N 3.07Å |
| 485 | Q | 96.7 | Very high | 96.1 | Very high | 146 Ų | 146 | 72.2 Ų | 72.2 | 68% | 0.682 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.9 | -41.9 | 172 | -175.8 | 178.4 | 2.3 | 0 | 0 | 111.1 | S483 K488 Q489 | S483-Q485 VanDerWaalsContact C-N 3.25Å; S483-Q485 PolarHBondContact O-N 3.15Å; Q485-K488 PolarHBondContact O-N 2.76Å; Q485-Q489 WeakPolarHBondContact O-CB 3.4Å; Q485-Q489 PolarHBondContact O-N 3.42Å |
| 486 | Q | 96 | Very high | 96.2 | Very high | 80 Ų | 80 | 77.3 Ų | 77.3 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 178.8 | -77.1 | 162.6 | -39.1 | 0 | 0 | 113.4 | L478 S483 E484 K488 Q489 W490 | L478-Q486 HydrophobicContact CD2-CB 4.29Å; S483-Q486 CarbonylContact O-C 3.58Å; S483-Q486 WeakPolarHBondContact O-CA 3.13Å; S483-Q486 WeakPolarHBondContact O-CB 3.13Å; S483-Q486 PolarHBondContact O-N 2.98Å; S483-Q486 WeakPolarHBondContact OG-CB 3.26Å; S483-Q486 VanDerWaalsContact OG-CD 3.32Å; S483-Q486 VanDerWaalsContact OG-CG 3.28Å; S483-Q486 WeakPolarHBondContact OG-CG 3.28Å; S483-Q486 PolarHBondContact OG-N 3.2Å; S483-Q486 PolarHBondContact OG-OE1 3.42Å; E484-Q486 VanDerWaalsContact C-N 3.31Å; E484-Q486 PolarHBondContact O-N 3.24Å; Q486-K488 VanDerWaalsContact C-N 3.33Å; Q486-K488 PolarHBondContact O-N 2.95Å; Q486-Q489 PolarHBondContact O-N 3Å; Q486-W490 VanDerWaalsContact CA-CZ3 3.43Å; Q486-W490 HydrophobicContact CB-CE3 3.67Å; Q486-W490 HydrophobicContact CB-CZ3 3.76Å; Q486-W490 HydrophobicContact CG-CE3 3.66Å; Q486-W490 HydrophobicContact CG-CH2 4.35Å; Q486-W490 HydrophobicContact CG-CZ3 3.29Å; Q486-W490 VanDerWaalsContact O-CE3 3.27Å; Q486-W490 PolarHBondContact O-N 3.5Å |
| 487 | K | 97.5 | Very high | 96.1 | Very high | 51 Ų | 51 | 76 Ų | 76 | 22% | 0.222 | 37% | 0.367 | C | S | . | . | I | π-helix | trans | -60.8 | -46.3 | 176.3 | -68.4 | 173.6 | -174.3 | 157.7 | 0 | 110.8 | H479 G482 S483 E484 Q489 L491 E492 | H479-K487 WeakPolarHBondContact O-CE 3.44Å; G482-K487 WeakPolarHBondContact O-CE 3.23Å; G482-K487 PolarHBondContact O-NZ 3.31Å; S483-K487 PolarHBondContact O-N 2.86Å; E484-K487 PolarHBondContact O-N 2.91Å; E484-K487 IonicContact OE1-NZ 3.5Å; E484-K487 PolarHBondContact OE1-NZ 3Å; K487-Q489 PolarHBondContact O-N 3.44Å; K487-L491 HydrophobicContact CB-CB 4.26Å; K487-L491 HydrophobicContact CB-CD2 4.25Å; K487-L491 HydrophobicContact CG-CD2 4.01Å; K487-L491 WeakPolarHBondContact O-CA 3.41Å; K487-L491 VanDerWaalsContact O-CB 3.28Å; K487-L491 WeakPolarHBondContact O-CB 3.34Å; K487-L491 PolarHBondContact O-N 3.44Å; K487-E492 PolarHBondContact O-N 3.41Å |
| 488 | K | 97.7 | Very high | 96.1 | Very high | 147 Ų | 147 | 76.6 Ų | 76.6 | 64% | 0.639 | 37% | 0.367 | S | S | * | . | I | π-helix | trans | -63.3 | -41.8 | 178.9 | -171.4 | 172.5 | -177.5 | 175.7 | 0 | 113.1 | E484 Q485 Q486 | E484-K488 WeakPolarHBondContact O-CB 3.47Å; E484-K488 PolarHBondContact O-N 3.4Å; E484-K488 VanDerWaalsContact O-N 3.07Å; Q485-K488 PolarHBondContact O-N 2.76Å; Q486-K488 VanDerWaalsContact C-N 3.33Å; Q486-K488 PolarHBondContact O-N 2.95Å |
| 489 | Q | 97.2 | Very high | 96 | Very high | 99 Ų | 99 | 78.6 Ų | 78.6 | 46% | 0.463 | 38% | 0.377 | S | S | . | . | I | π-helix | trans | -78.6 | -35.1 | -175.2 | -178.1 | 171.7 | -11.6 | 0 | 0 | 113.4 | Q485 Q486 K487 P493 | Q485-Q489 WeakPolarHBondContact O-CB 3.4Å; Q485-Q489 PolarHBondContact O-N 3.42Å; Q486-Q489 PolarHBondContact O-N 3Å; K487-Q489 PolarHBondContact O-N 3.44Å; Q489-P493 WeakPolarHBondContact O-CG 3.22Å |
| 490 | W | 96.6 | Very high | 95.6 | Very high | 103 Ų | 103 | 79.1 Ų | 79.1 | 39% | 0.39 | 39% | 0.386 | S | S | . | . | I | π-helix | trans | -122 | -44.1 | -171.6 | -61.8 | -77.9 | 0 | 0 | 0 | 113.7 | L478 Q486 P493 L494 | L478-W490 HydrophobicContact CD1-CB 3.78Å; L478-W490 HydrophobicContact CD2-CB 4.45Å; Q486-W490 VanDerWaalsContact CA-CZ3 3.43Å; Q486-W490 HydrophobicContact CB-CE3 3.67Å; Q486-W490 HydrophobicContact CB-CZ3 3.76Å; Q486-W490 HydrophobicContact CG-CE3 3.66Å; Q486-W490 HydrophobicContact CG-CH2 4.35Å; Q486-W490 HydrophobicContact CG-CZ3 3.29Å; Q486-W490 VanDerWaalsContact O-CE3 3.27Å; Q486-W490 PolarHBondContact O-N 3.5Å; W490-P493 WeakPolarHBondContact O-CD 3.39Å; W490-L494 WeakPolarHBondContact O-CB 3.22Å; W490-L494 WeakPolarHBondContact O-CD1 3.42Å; W490-L494 VanDerWaalsContact O-CG 3.24Å; W490-L494 WeakPolarHBondContact O-CG 3.26Å; W490-L494 PolarHBondContact O-N 2.8Å |
| 491 | L | 97.4 | Very high | 95.3 | Very high | 10 Ų | 10 | 75 Ų | 75 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | I | π-helix | trans | -68.6 | -47.9 | -177.8 | 179.7 | 61.4 | 0 | 0 | 0 | 112 | M475 L478 H479 K487 L494 L495 | M475-L491 HydrophobicContact CB-CD1 3.83Å; M475-L491 HydrophobicContact CG-CD1 3.94Å; M475-L491 WeakPolarHBondContact O-CD1 3.44Å; L478-L491 HydrophobicContact CB-CB 4.03Å; L478-L491 HydrophobicContact CB-CD1 4.26Å; L478-L491 HydrophobicContact CD1-CB 4.31Å; H479-L491 HydrophobicContact CB-CD2 4.03Å; K487-L491 HydrophobicContact CB-CB 4.26Å; K487-L491 HydrophobicContact CB-CD2 4.25Å; K487-L491 HydrophobicContact CG-CD2 4.01Å; K487-L491 WeakPolarHBondContact O-CA 3.41Å; K487-L491 VanDerWaalsContact O-CB 3.28Å; K487-L491 WeakPolarHBondContact O-CB 3.34Å; K487-L491 PolarHBondContact O-N 3.44Å; L491-L494 PolarHBondContact O-N 2.89Å; L491-L495 HydrophobicContact CD1-CD1 3.97Å; L491-L495 HydrophobicContact CD1-CD2 4.5Å; L491-L495 HydrophobicContact CD1-CG 3.94Å; L491-L495 HydrophobicContact CD2-CD1 4.41Å; L491-L495 HydrophobicContact CG-CD1 3.79Å; L491-L495 HydrophobicContact CG-CG 4.2Å; L491-L495 WeakPolarHBondContact O-CB 3.47Å; L491-L495 WeakPolarHBondContact O-CG 3.41Å; L491-L495 PolarHBondContact O-N 3.5Å |
| 492 | E | 97.5 | Very high | 94.7 | Very high | 87 Ų | 87 | 69 Ų | 69 | 41% | 0.407 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | -177.8 | -64.8 | 175.1 | -165.8 | 0 | 0 | 112.6 | K487 L495 R496 | K487-E492 PolarHBondContact O-N 3.41Å; E492-L495 PolarHBondContact O-N 2.9Å; E492-R496 WeakPolarHBondContact O-CG 3.4Å; E492-R496 PolarHBondContact O-N 3.44Å; E492-R496 VanDerWaalsContact O-N 3.08Å; E492-R496 IonicContact OE2-NH1 3.75Å |
| 493 | P | 97.9 | Very high | 93.9 | Very high | 16 Ų | 16 | 74 Ų | 74 | 10% | 0.104 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 172.7 | -25.6 | 36.7 | 0 | 0 | 0 | 114 | Q489 W490 L495 R496 G497 D498 I499 | Q489-P493 WeakPolarHBondContact O-CG 3.22Å; W490-P493 WeakPolarHBondContact O-CD 3.39Å; P493-L495 PolarHBondContact O-N 2.87Å; P493-R496 PolarHBondContact O-N 3.42Å; P493-R496 VanDerWaalsContact O-N 3.16Å; P493-G497 PolarHBondContact O-N 3.29Å; P493-D498 HydrophobicContact CB-CB 4.27Å; P493-D498 PolarHBondContact O-N 2.89Å; P493-I499 HydrophobicContact CB-CD1 3.72Å; P493-I499 HydrophobicContact CB-CG1 3.77Å; P493-I499 HydrophobicContact CB-CG2 4.37Å; P493-I499 HydrophobicContact CG-CD1 4.48Å |
| 494 | L | 96.9 | Very high | 93.1 | Very high | 8 Ų | 8 | 73.9 Ų | 73.9 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 175.5 | -76.2 | 165.8 | 0 | 0 | 0 | 111.3 | N466 M475 L478 W490 L491 R496 G497 I499 | N466-L494 PolarHBondContact ND2-O 3.32Å; M475-L494 HydrophobicContact CG-CB 3.65Å; M475-L494 HydrophobicContact CG-CD1 4Å; M475-L494 HydrophobicContact CG-CG 4.37Å; M475-L494 HydrophobicContact SD-CB 3.81Å; L478-L494 HydrophobicContact CD1-CD1 3.91Å; W490-L494 WeakPolarHBondContact O-CB 3.22Å; W490-L494 WeakPolarHBondContact O-CD1 3.42Å; W490-L494 VanDerWaalsContact O-CG 3.24Å; W490-L494 WeakPolarHBondContact O-CG 3.26Å; W490-L494 PolarHBondContact O-N 2.8Å; L491-L494 PolarHBondContact O-N 2.89Å; L494-R496 PolarHBondContact O-N 3.15Å; L494-G497 PolarHBondContact O-N 3.19Å; L494-G497 VanDerWaalsContact O-N 3.08Å; L494-I499 HydrophobicContact CD2-CD1 4.46Å; L494-I499 HydrophobicContact CD2-CG1 3.9Å; L494-I499 WeakPolarHBondContact CD2-O 3.38Å; L494-I499 HydrophobicContact CG-CD1 4.11Å; L494-I499 HydrophobicContact CG-CG1 3.9Å |
| 495 | L | 96.9 | Very high | 92.1 | Very high | 33 Ų | 33 | 69.6 Ų | 69.6 | 17% | 0.173 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.8 | -28.8 | 177 | -73.6 | 173.8 | 0 | 0 | 0 | 112.7 | W433 N434 L437 V440 M475 L491 E492 P493 | W433-L495 PolarHBondContact NE1-O 3Å; N434-L495 HydrophobicContact CB-CD2 4.3Å; N434-L495 PolarHBondContact ND2-O 3.13Å; L437-L495 HydrophobicContact CD2-CD2 3.92Å; V440-L495 HydrophobicContact CG2-CD1 4.19Å; V440-L495 HydrophobicContact CG2-CD2 4.03Å; M475-L495 HydrophobicContact SD-CD2 3.61Å; M475-L495 HydrophobicContact SD-CG 4.03Å; L491-L495 HydrophobicContact CD1-CD1 3.97Å; L491-L495 HydrophobicContact CD1-CD2 4.5Å; L491-L495 HydrophobicContact CD1-CG 3.94Å; L491-L495 HydrophobicContact CD2-CD1 4.41Å; L491-L495 HydrophobicContact CG-CD1 3.79Å; L491-L495 HydrophobicContact CG-CG 4.2Å; L491-L495 WeakPolarHBondContact O-CB 3.47Å; L491-L495 WeakPolarHBondContact O-CG 3.41Å; L491-L495 PolarHBondContact O-N 3.5Å; E492-L495 PolarHBondContact O-N 2.9Å; P493-L495 PolarHBondContact O-N 2.87Å |
| 496 | R | 96.3 | Very high | 91.3 | Very high | 106 Ų | 106 | 65.6 Ų | 65.6 | 40% | 0.4 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -80.5 | -19.9 | 175.2 | -71.4 | -170.1 | -53.5 | -93.4 | -2.4 | 113.3 | K428 E492 P493 L494 D498 | K428-R496 PolarHBondContact NZ-O 3.35Å; E492-R496 WeakPolarHBondContact O-CG 3.4Å; E492-R496 PolarHBondContact O-N 3.44Å; E492-R496 VanDerWaalsContact O-N 3.08Å; E492-R496 IonicContact OE2-NH1 3.75Å; P493-R496 PolarHBondContact O-N 3.42Å; P493-R496 VanDerWaalsContact O-N 3.16Å; L494-R496 PolarHBondContact O-N 3.15Å; R496-D498 WeakPolarHBondContact CB-OD1 3.38Å; R496-D498 IonicContact CZ-OD2 3.75Å; R496-D498 IonicContact NE-OD2 2.72Å; R496-D498 PolarHBondContact NE-OD2 3.23Å; R496-D498 IonicContact NH2-OD2 3.92Å; R496-D498 PolarHBondContact NH2-OD2 3.38Å |
| 497 | G | 93.8 | Very high | 90.9 | Very high | 37 Ų | 37 | 62.1 Ų | 62.1 | 38% | 0.381 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 15 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P493 L494 I499 | P493-G497 PolarHBondContact O-N 3.29Å; L494-G497 PolarHBondContact O-N 3.19Å; L494-G497 VanDerWaalsContact O-N 3.08Å; G497-I499 VanDerWaalsContact C-N 3.33Å |
| 498 | D | 94 | Very high | 90.4 | Very high | 96 Ų | 96 | 62.2 Ų | 62.2 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -76.2 | -25.5 | -176.1 | -59.5 | -16 | 0 | 0 | 0 | 112.3 | P493 R496 | P493-D498 HydrophobicContact CB-CB 4.27Å; P493-D498 PolarHBondContact O-N 2.89Å; R496-D498 WeakPolarHBondContact CB-OD1 3.38Å; R496-D498 IonicContact CZ-OD2 3.75Å; R496-D498 IonicContact NE-OD2 2.72Å; R496-D498 PolarHBondContact NE-OD2 3.23Å; R496-D498 IonicContact NH2-OD2 3.92Å; R496-D498 PolarHBondContact NH2-OD2 3.38Å |
| 499 | I | 92.4 | Very high | 89.8 | Confident | 72 Ų | 72 | 60.6 Ų | 60.6 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | trans | -136.3 | 157.5 | 177.9 | 66.9 | 178.4 | 0 | 0 | 0 | 108.7 | P493 L494 G497 | P493-I499 HydrophobicContact CB-CD1 3.72Å; P493-I499 HydrophobicContact CB-CG1 3.77Å; P493-I499 HydrophobicContact CB-CG2 4.37Å; P493-I499 HydrophobicContact CG-CD1 4.48Å; L494-I499 HydrophobicContact CD2-CD1 4.46Å; L494-I499 HydrophobicContact CD2-CG1 3.9Å; L494-I499 WeakPolarHBondContact CD2-O 3.38Å; L494-I499 HydrophobicContact CG-CD1 4.11Å; L494-I499 HydrophobicContact CG-CG1 3.9Å; G497-I499 VanDerWaalsContact C-N 3.33Å | ||
| 500 | T | 88.5 | Confident | 89.2 | Confident | 79 Ų | 79 | 57.4 Ų | 57.4 | 49% | 0.485 | 31% | 0.307 | S | S | . | . | trans | -113.7 | 157.5 | 167.7 | 56.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 501 | S | 87.6 | Confident | 88.1 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | trans | -101.7 | 151.3 | 175.2 | 71.5 | 0 | 0 | 0 | 0 | 110.6 | P470 D471 N474 | P470-S501 VanDerWaalsContact CG-O 3.28Å; P470-S501 WeakPolarHBondContact CG-O 3.28Å; D471-S501 WeakPolarHBondContact CA-OG 3.26Å; D471-S501 WeakPolarHBondContact OD1-CA 3.5Å; D471-S501 WeakPolarHBondContact OD1-CB 3.31Å; D471-S501 PolarHBondContact OD1-N 3.3Å; D471-S501 PolarHBondContact OD1-OG 2.94Å; N474-S501 VanDerWaalsContact ND2-CB 3.3Å; N474-S501 WeakPolarHBondContact ND2-CB 3.38Å; N474-S501 PolarHBondContact ND2-OG 2.96Å | ||
| 502 | V | 81.2 | Confident | 86.6 | Confident | 52 Ų | 52 | 56.5 Ų | 56.5 | 32% | 0.315 | 32% | 0.317 | S | S | . | . | trans | -116.8 | 147.2 | 175.9 | -70.7 | 0 | 0 | 0 | 0 | 109.3 | G540 L541 | V502-G540 WeakPolarHBondContact CG1-O 3.43Å; V502-L541 HydrophobicContact CG1-CG 4.37Å; V502-L541 HydrophobicContact CG2-CD2 3.96Å; V502-L541 HydrophobicContact CG2-CG 4.32Å | ||
| 503 | F | 77.2 | Confident | 85.2 | Confident | 116 Ų | 116 | 57.4 Ų | 57.4 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | trans | -118.6 | 115.2 | 179.9 | -167.4 | -118.1 | 0 | 0 | 0 | 110.6 | P470 M505 | P470-F503 HydrophobicContact CB-CB 3.86Å; P470-F503 HydrophobicContact CG-CB 4.12Å; F503-M505 HydrophobicContact CD1-CB 3.88Å; F503-M505 HydrophobicContact CE1-CB 3.42Å; F503-M505 VanDerWaalsContact CE1-CB 3.42Å; F503-M505 HydrophobicContact CE1-CE 3.81Å; F503-M505 HydrophobicContact CE1-CG 4.04Å; F503-M505 HydrophobicContact CE1-SD 3.56Å; F503-M505 VanDerWaalsContact CE1-SD 3.56Å; F503-M505 HydrophobicContact CZ-CB 3.92Å; F503-M505 HydrophobicContact CZ-CG 4.31Å; F503-M505 HydrophobicContact CZ-SD 3.81Å | ||
| 504 | C | 78.1 | Confident | 84.2 | Confident | 52 Ų | 52 | 60.2 Ų | 60.2 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | trans | -107.9 | 60.3 | -172.3 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | K535 | C504-K535 WeakPolarHBondContact O-CD 3.41Å; C504-K535 WeakPolarHBondContact O-CE 3.11Å; C504-K535 PolarHBondContact O-NZ 3.08Å | ||
| 505 | M | 77.1 | Confident | 83.3 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | trans | -85.8 | -31.4 | -176.4 | -170.8 | 167.9 | 65.6 | 0 | 0 | 113.5 | F503 E507 S512 I518 | F503-M505 HydrophobicContact CD1-CB 3.88Å; F503-M505 HydrophobicContact CE1-CB 3.42Å; F503-M505 VanDerWaalsContact CE1-CB 3.42Å; F503-M505 HydrophobicContact CE1-CE 3.81Å; F503-M505 HydrophobicContact CE1-CG 4.04Å; F503-M505 HydrophobicContact CE1-SD 3.56Å; F503-M505 VanDerWaalsContact CE1-SD 3.56Å; F503-M505 HydrophobicContact CZ-CB 3.92Å; F503-M505 HydrophobicContact CZ-CG 4.31Å; F503-M505 HydrophobicContact CZ-SD 3.81Å; M505-E507 PolarHBondContact O-N 2.71Å; M505-S512 WeakPolarHBondContact CE-O 3.3Å; M505-I518 HydrophobicContact CG-CD1 4.01Å | ||
| 506 | T | 80.6 | Confident | 82.5 | Confident | 62 Ų | 62 | 66.7 Ų | 66.7 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | trans | -68.6 | 128.6 | -170 | -46 | 0 | 0 | 0 | 0 | 113 | S512 K535 W536 | T506-S512 WeakPolarHBondContact CA-OG 3.42Å; T506-K535 CarbonylContact O-C 3.54Å; T506-K535 VanDerWaalsContact O-CA 3.3Å; T506-K535 WeakPolarHBondContact O-CA 3.45Å; T506-W536 HydrophobicContact CG2-CB 3.55Å; T506-W536 HydrophobicContact CG2-CG 4.17Å; T506-W536 PolarHBondContact O-N 3.24Å | ||
| 507 | E | 87.1 | Confident | 82.1 | Confident | 8 Ų | 8 | 64.9 Ų | 64.9 | 4% | 0.037 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -124.6 | 142.9 | 176.8 | -59.5 | -168 | 171.9 | 0 | 0 | 110.5 | M505 N509 V510 S512 I518 E519 C520 K534 K535 | M505-E507 PolarHBondContact O-N 2.71Å; E507-N509 VanDerWaalsContact C-N 3.28Å; E507-N509 PolarHBondContact O-N 2.69Å; E507-V510 HydrophobicContact CB-CG2 3.63Å; E507-V510 HydrophobicContact CG-CG2 4.36Å; E507-S512 PolarHBondContact N-OG 3.33Å; E507-S512 PolarHBondContact O-OG 3.13Å; E507-I518 WeakPolarHBondContact OE1-CG2 3.41Å; E507-E519 WeakPolarHBondContact OE2-CA 3.34Å; E507-E519 WeakPolarHBondContact OE2-CB 3.26Å; E507-E519 PolarHBondContact OE2-N 3.01Å; E507-C520 WeakPolarHBondContact OE1-CB 3.22Å; E507-C520 PolarHBondContact OE1-N 2.88Å; E507-C520 PolarHBondContact OE2-N 3.32Å; E507-K534 WeakPolarHBondContact CG-O 3.33Å; E507-K535 HydrophobicContact CG-CD 3.94Å; E507-K535 IonicContact OE1-NZ 3.16Å; E507-K535 PolarHBondContact OE1-NZ 3.3Å |
| 508 | P | 85.8 | Confident | 81.8 | Confident | 53 Ų | 53 | 66.1 Ų | 66.1 | 34% | 0.344 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.1 | -173.5 | 23.7 | -32.9 | 0 | 0 | 0 | 115.1 | K534 W536 | P508-K534 VanDerWaalsContact CD-O 3.3Å; P508-K534 WeakPolarHBondContact CD-O 3.3Å; P508-K534 HydrophobicContact CG-CB 4.03Å; P508-W536 HydrophobicContact CB-CE3 3.57Å; P508-W536 HydrophobicContact CB-CZ3 3.69Å |
| 509 | N | 86.7 | Confident | 81.6 | Confident | 113 Ų | 113 | 66.8 Ų | 66.8 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -8.6 | -168.2 | -59.5 | -28.8 | 0 | 0 | 0 | 113.5 | E507 | E507-N509 VanDerWaalsContact C-N 3.28Å; E507-N509 PolarHBondContact O-N 2.69Å |
| 510 | V | 83.4 | Confident | 81.4 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 19% | 0.188 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -140.1 | 144.7 | -169.9 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | E507 S512 N517 E519 | E507-V510 HydrophobicContact CB-CG2 3.63Å; E507-V510 HydrophobicContact CG-CG2 4.36Å; V510-S512 PolarHBondContact O-N 3.19Å; V510-S512 PolarHBondContact O-OG 2.88Å; V510-N517 HydrophobicContact CB-CB 4.15Å; V510-N517 WeakPolarHBondContact CB-O 3.06Å; V510-N517 WeakPolarHBondContact CG1-O 3.3Å; V510-N517 VanDerWaalsContact CG2-O 3.28Å; V510-N517 WeakPolarHBondContact CG2-O 3.49Å; V510-E519 HydrophobicContact CG1-CG 3.71Å; V510-E519 HydrophobicContact CG2-CG 4.39Å |
| 511 | S | 74.3 | Confident | 81.5 | Confident | 78 Ų | 78 | 65 Ų | 65 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | trans | -65.5 | 104.5 | 176.1 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | S513 N517 | S511-S513 VanDerWaalsContact C-N 3.28Å; S511-S513 PolarHBondContact O-N 3.04Å; S511-S513 PolarHBondContact OG-OG 3.31Å; S511-N517 PolarHBondContact O-ND2 3.34Å | ||
| 512 | S | 66 | Low | 81.7 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 11% | 0.112 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 4.3 | -167.8 | -33.2 | 0 | 0 | 0 | 0 | 113.9 | M505 T506 E507 V510 | M505-S512 WeakPolarHBondContact CE-O 3.3Å; T506-S512 WeakPolarHBondContact CA-OG 3.42Å; E507-S512 PolarHBondContact N-OG 3.33Å; E507-S512 PolarHBondContact O-OG 3.13Å; V510-S512 PolarHBondContact O-N 3.19Å; V510-S512 PolarHBondContact O-OG 2.88Å |
| 513 | S | 68.3 | Low | 82.3 | Confident | 107 Ų | 107 | 73.7 Ų | 73.7 | 75% | 0.748 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -18.5 | 170.7 | 59.5 | 0 | 0 | 0 | 0 | 112.8 | S511 | S511-S513 VanDerWaalsContact C-N 3.28Å; S511-S513 PolarHBondContact O-N 3.04Å; S511-S513 PolarHBondContact OG-OG 3.31Å |
| 514 | D | 76.6 | Confident | 83.1 | Confident | 74 Ų | 74 | 76 Ų | 76 | 40% | 0.396 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -113.8 | 112.2 | 175.1 | -178.1 | -2.7 | 0 | 0 | 0 | 109.1 | T516 N517 | D514-T516 VanDerWaalsContact CG-OG1 3.29Å; D514-T516 PolarHBondContact O-N 2.86Å; D514-T516 VanDerWaalsContact O-N 3.13Å; D514-T516 PolarHBondContact OD1-N 3.24Å; D514-T516 PolarHBondContact OD1-OG1 2.82Å; D514-T516 PolarHBondContact OD2-OG1 3.26Å; D514-N517 PolarHBondContact O-N 3.46Å; D514-N517 VanDerWaalsContact O-N 3.09Å |
| 515 | A | 77.1 | Confident | 83.8 | Confident | 62 Ų | 62 | 78.3 Ų | 78.3 | 51% | 0.512 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -62.2 | -19.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N517 I518 | A515-N517 PolarHBondContact O-N 3.49Å; A515-I518 HydrophobicContact CB-CD1 4.09Å; A515-I518 WeakPolarHBondContact O-CB 3.22Å; A515-I518 WeakPolarHBondContact O-CG1 3.49Å; A515-I518 PolarHBondContact O-N 3.01Å |
| 516 | T | 81.8 | Confident | 84.5 | Confident | 115 Ų | 115 | 78.5 Ų | 78.5 | 71% | 0.706 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -71.4 | -14.7 | 177.1 | 67.5 | 0 | 0 | 0 | 0 | 113.4 | D514 | D514-T516 VanDerWaalsContact CG-OG1 3.29Å; D514-T516 PolarHBondContact O-N 2.86Å; D514-T516 VanDerWaalsContact O-N 3.13Å; D514-T516 PolarHBondContact OD1-N 3.24Å; D514-T516 PolarHBondContact OD1-OG1 2.82Å; D514-T516 PolarHBondContact OD2-OG1 3.26Å |
| 517 | N | 86.2 | Confident | 84.9 | Confident | 69 Ų | 69 | 79.6 Ų | 79.6 | 37% | 0.369 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -89.5 | -4.7 | 178.1 | -64.3 | -33.1 | 0 | 0 | 0 | 113.4 | V510 S511 D514 A515 E519 | V510-N517 HydrophobicContact CB-CB 4.15Å; V510-N517 WeakPolarHBondContact CB-O 3.06Å; V510-N517 WeakPolarHBondContact CG1-O 3.3Å; V510-N517 VanDerWaalsContact CG2-O 3.28Å; V510-N517 WeakPolarHBondContact CG2-O 3.49Å; S511-N517 PolarHBondContact O-ND2 3.34Å; D514-N517 PolarHBondContact O-N 3.46Å; D514-N517 VanDerWaalsContact O-N 3.09Å; A515-N517 PolarHBondContact O-N 3.49Å; N517-E519 PolarHBondContact O-N 3.15Å |
| 518 | I | 87.2 | Confident | 84.9 | Confident | 63 Ų | 63 | 80.8 Ų | 80.8 | 32% | 0.323 | 49% | 0.488 | S | S | . | . | trans | -59.1 | 122.6 | -179.2 | -69.9 | 174.3 | 0 | 0 | 0 | 110 | M505 E507 A515 C520 | M505-I518 HydrophobicContact CG-CD1 4.01Å; E507-I518 WeakPolarHBondContact OE1-CG2 3.41Å; A515-I518 HydrophobicContact CB-CD1 4.09Å; A515-I518 WeakPolarHBondContact O-CB 3.22Å; A515-I518 WeakPolarHBondContact O-CG1 3.49Å; A515-I518 PolarHBondContact O-N 3.01Å; I518-C520 HydrophobicContact CG2-CB 3.9Å | ||
| 519 | E | 90.2 | Very high | 85.1 | Confident | 110 Ų | 110 | 85.4 Ų | 85.4 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | trans | -90 | -18.4 | 175.7 | -59.8 | -174.1 | 147 | 0 | 0 | 112 | E507 V510 N517 T521 | E507-E519 WeakPolarHBondContact OE2-CA 3.34Å; E507-E519 WeakPolarHBondContact OE2-CB 3.26Å; E507-E519 PolarHBondContact OE2-N 3.01Å; V510-E519 HydrophobicContact CG1-CG 3.71Å; V510-E519 HydrophobicContact CG2-CG 4.39Å; N517-E519 PolarHBondContact O-N 3.15Å; E519-T521 PolarHBondContact O-N 3.21Å | ||
| 520 | C | 89.4 | Confident | 85.4 | Confident | 29 Ų | 29 | 84.3 Ų | 84.3 | 20% | 0.196 | 49% | 0.493 | C | S | . | . | trans | -56.6 | 123.4 | 174.5 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | E507 I518 V531 N532 | E507-C520 WeakPolarHBondContact OE1-CB 3.22Å; E507-C520 PolarHBondContact OE1-N 2.88Å; E507-C520 PolarHBondContact OE2-N 3.32Å; I518-C520 HydrophobicContact CG2-CB 3.9Å; C520-V531 WeakPolarHBondContact SG-CG1 3.35Å; C520-N532 WeakPolarHBondContact CA-O 3.4Å | ||
| 521 | T | 90.3 | Very high | 85.7 | Confident | 83 Ų | 83 | 87.5 Ų | 87.5 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 145.4 | -179.4 | 58.2 | 0 | 0 | 0 | 0 | 110.4 | E519 V531 N532 | E519-T521 PolarHBondContact O-N 3.21Å; T521-V531 WeakPolarHBondContact O-CA 3.21Å; T521-N532 PolarHBondContact N-O 3.47Å; T521-N532 PolarHBondContact O-N 3.46Å; T521-N532 PolarHBondContact OG1-O 3.39Å |
| 522 | I | 91.8 | Very high | 86.5 | Confident | 116 Ų | 116 | 89 Ų | 89 | 60% | 0.595 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.1 | 168.7 | -173.7 | 169.6 | 0 | 0 | 0 | 108.6 | Y529 I530 V531 | I522-Y529 HydrophobicContact CD1-CD1 3.87Å; I522-Y529 HydrophobicContact CD1-CG 4.02Å; I522-Y529 HydrophobicContact CG1-CD1 3.74Å; I522-Y529 HydrophobicContact CG1-CG 4.16Å; I522-I530 WeakPolarHBondContact CA-O 3.32Å; I522-V531 HydrophobicContact CD1-CG2 4.05Å; I522-V531 HydrophobicContact CG1-CG2 4.05Å |
| 523 | Q | 94.6 | Very high | 87.5 | Confident | 142 Ų | 142 | 90.3 Ų | 90.3 | 66% | 0.664 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135.8 | 177.5 | -175.3 | 176.4 | -8.5 | 0 | 0 | 109.4 | D525 Y529 I530 | Q523-D525 PolarHBondContact O-N 3.05Å; Q523-Y529 CarbonylContact O-C 3.53Å; Q523-Y529 WeakPolarHBondContact O-CA 3.36Å; Q523-I530 PolarHBondContact N-O 3.29Å; Q523-I530 PolarHBondContact O-N 2.84Å |
| 524 | R | 92.7 | Very high | 88.4 | Confident | 163 Ų | 163 | 92.4 Ų | 92.4 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 128.5 | 172.9 | -167.3 | 173.9 | -169.4 | -82.1 | -5.2 | 109.4 | G526 Y529 | R524-G526 VanDerWaalsContact CZ-O 3.31Å; R524-G526 PolarHBondContact NH1-O 3.42Å; R524-G526 PolarHBondContact NH2-O 3.17Å; R524-Y529 HydrophobicContact CB-CD1 4.07Å; R524-Y529 HydrophobicContact CB-CE1 3.82Å; R524-Y529 HydrophobicContact CG-CD1 4.46Å; R524-Y529 HydrophobicContact CG-CE1 4.08Å |
| 525 | D | 93.3 | Very high | 88.7 | Confident | 102 Ų | 102 | 92.7 Ų | 92.7 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 113 | 174.5 | -175.4 | 27 | 0 | 0 | 0 | 109.8 | Q523 G527 G528 I530 | Q523-D525 PolarHBondContact O-N 3.05Å; D525-G527 PolarHBondContact O-N 2.9Å; D525-G528 PolarHBondContact N-O 3.29Å; D525-G528 CarbonylContact O-C 3.58Å; D525-G528 PolarHBondContact O-N 2.75Å; D525-I530 HydrophobicContact CB-CD1 3.73Å; D525-I530 HydrophobicContact CB-CG1 3.87Å; D525-I530 WeakPolarHBondContact OD2-CD1 3.37Å |
| 526 | G | 90.9 | Very high | 88.6 | Confident | 53 Ų | 53 | 97.1 Ų | 97.1 | 55% | 0.546 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | -118.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R524 | R524-G526 VanDerWaalsContact CZ-O 3.31Å; R524-G526 PolarHBondContact NH1-O 3.42Å; R524-G526 PolarHBondContact NH2-O 3.17Å |
| 527 | G | 88.5 | Confident | 87.9 | Confident | 85 Ų | 85 | 99 Ų | 99 | 88% | 0.876 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 0.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D525 | D525-G527 PolarHBondContact O-N 2.9Š|
| 528 | G | 87.7 | Confident | 86.9 | Confident | 33 Ų | 33 | 96.7 Ų | 96.7 | 34% | 0.34 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | -164.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D525 | D525-G528 PolarHBondContact N-O 3.29Å; D525-G528 CarbonylContact O-C 3.58Å; D525-G528 PolarHBondContact O-N 2.75Å |
| 529 | Y | 89.9 | Confident | 85.6 | Confident | 150 Ų | 150 | 97 Ų | 97 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 136 | 177.9 | -69.2 | -90.4 | 0 | 0 | 0 | 109.8 | I522 Q523 R524 | I522-Y529 HydrophobicContact CD1-CD1 3.87Å; I522-Y529 HydrophobicContact CD1-CG 4.02Å; I522-Y529 HydrophobicContact CG1-CD1 3.74Å; I522-Y529 HydrophobicContact CG1-CG 4.16Å; Q523-Y529 CarbonylContact O-C 3.53Å; Q523-Y529 WeakPolarHBondContact O-CA 3.36Å; R524-Y529 HydrophobicContact CB-CD1 4.07Å; R524-Y529 HydrophobicContact CB-CE1 3.82Å; R524-Y529 HydrophobicContact CG-CD1 4.46Å; R524-Y529 HydrophobicContact CG-CE1 4.08Å |
| 530 | I | 92.4 | Very high | 84.2 | Confident | 90 Ų | 90 | 94.5 Ų | 94.5 | 46% | 0.462 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 120.9 | 166.6 | -62.3 | 174.4 | 0 | 0 | 0 | 106.8 | I522 Q523 D525 | I522-I530 WeakPolarHBondContact CA-O 3.32Å; Q523-I530 PolarHBondContact N-O 3.29Å; Q523-I530 PolarHBondContact O-N 2.84Å; D525-I530 HydrophobicContact CB-CD1 3.73Å; D525-I530 HydrophobicContact CB-CG1 3.87Å; D525-I530 WeakPolarHBondContact OD2-CD1 3.37Å |
| 531 | V | 90.8 | Very high | 82.7 | Confident | 97 Ų | 97 | 101.9 Ų | 101.9 | 59% | 0.588 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 117.7 | 172.6 | -177 | 0 | 0 | 0 | 0 | 107.4 | C520 T521 I522 | C520-V531 WeakPolarHBondContact SG-CG1 3.35Å; T521-V531 WeakPolarHBondContact O-CA 3.21Å; I522-V531 HydrophobicContact CD1-CG2 4.05Å; I522-V531 HydrophobicContact CG1-CG2 4.05Å |
| 532 | N | 91.2 | Very high | 82.3 | Confident | 111 Ų | 111 | 102.8 Ų | 102.8 | 59% | 0.594 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.2 | 113.5 | -176.8 | -170.5 | 8.1 | 0 | 0 | 0 | 110.7 | C520 T521 | C520-N532 WeakPolarHBondContact CA-O 3.4Å; T521-N532 PolarHBondContact N-O 3.47Å; T521-N532 PolarHBondContact O-N 3.46Å; T521-N532 PolarHBondContact OG1-O 3.39Å |
| 533 | G | 87.3 | Confident | 81.8 | Confident | 42 Ų | 42 | 102.1 Ų | 102.1 | 43% | 0.433 | 56% | 0.558 | S | S | . | * | trans | -176.5 | 170.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 534 | K | 86.6 | Confident | 81.1 | Confident | 152 Ų | 152 | 99.9 Ų | 99.9 | 66% | 0.661 | 55% | 0.553 | S | S | * | * | trans | -108.4 | 124.9 | 174.3 | -68.8 | -179.8 | -178.5 | 176.6 | 0 | 109 | E507 P508 | E507-K534 WeakPolarHBondContact CG-O 3.33Å; P508-K534 VanDerWaalsContact CD-O 3.3Å; P508-K534 WeakPolarHBondContact CD-O 3.3Å; P508-K534 HydrophobicContact CG-CB 4.03Å | ||
| 535 | K | 82.3 | Confident | 80.5 | Confident | 80 Ų | 80 | 96.2 Ų | 96.2 | 35% | 0.348 | 55% | 0.549 | S | S | . | . | trans | -105.4 | 144.9 | 174.4 | -58.9 | -53.4 | -171.3 | 177 | 0 | 110.5 | C504 T506 E507 | C504-K535 WeakPolarHBondContact O-CD 3.41Å; C504-K535 WeakPolarHBondContact O-CE 3.11Å; C504-K535 PolarHBondContact O-NZ 3.08Å; T506-K535 CarbonylContact O-C 3.54Å; T506-K535 VanDerWaalsContact O-CA 3.3Å; T506-K535 WeakPolarHBondContact O-CA 3.45Å; E507-K535 HydrophobicContact CG-CD 3.94Å; E507-K535 IonicContact OE1-NZ 3.16Å; E507-K535 PolarHBondContact OE1-NZ 3.3Å | ||
| 536 | W | 75.5 | Confident | 79.7 | Confident | 155 Ų | 155 | 95.8 Ų | 95.8 | 59% | 0.587 | 55% | 0.549 | S | S | * | . | trans | -74.2 | -179.5 | 167.7 | -158.5 | -89.9 | 0 | 0 | 0 | 110 | T506 P508 S538 | T506-W536 HydrophobicContact CG2-CB 3.55Å; T506-W536 HydrophobicContact CG2-CG 4.17Å; T506-W536 PolarHBondContact O-N 3.24Å; P508-W536 HydrophobicContact CB-CE3 3.57Å; P508-W536 HydrophobicContact CB-CZ3 3.69Å; W536-S538 PolarHBondContact O-N 3.27Å; W536-S538 VanDerWaalsContact O-N 3.11Å; W536-S538 PolarHBondContact O-OG 2.66Å | ||
| 537 | W | 67.6 | Low | 78.9 | Confident | 155 Ų | 155 | 98.7 Ų | 98.7 | 59% | 0.587 | 55% | 0.549 | S | S | * | . | trans | -47.2 | 117.5 | 166.8 | -170.2 | 67.3 | 0 | 0 | 0 | 110.8 | W414 | W414-W537 AromaticContact CE2-CZ2 3.83Å; W414-W537 AromaticContact CH2-CH2 3.26Å; W414-W537 HydrophobicContact CH2-CH2 3.26Å; W414-W537 AromaticContact CH2-CZ2 3.92Å; W414-W537 HydrophobicContact CH2-CZ2 3.92Å; W414-W537 HydrophobicContact CH2-CZ3 4.24Å; W414-W537 AromaticContact CZ2-CH2 3.3Å; W414-W537 HydrophobicContact CZ2-CH2 3.3Å; W414-W537 AromaticContact CZ2-CZ2 3.45Å; W414-W537 HydrophobicContact CZ2-CZ2 3.45Å; W414-W537 VanDerWaalsContact CZ2-CZ2 3.45Å; W414-W537 HydrophobicContact CZ2-CZ3 4.48Å; W414-W537 AromaticContact CZ3-CH2 3.92Å; W414-W537 HydrophobicContact CZ3-CH2 3.92Å | ||
| 538 | S | 65.7 | Low | 78.2 | Confident | 20 Ų | 20 | 99.6 Ų | 99.6 | 14% | 0.14 | 53% | 0.526 | C | S | . | . | trans | -106.5 | 116.1 | 178.1 | -58.9 | 0 | 0 | 0 | 0 | 107.4 | W536 | W536-S538 PolarHBondContact O-N 3.27Å; W536-S538 VanDerWaalsContact O-N 3.11Å; W536-S538 PolarHBondContact O-OG 2.66Å | ||
| 539 | S | 59 | Low | 77.5 | Confident | 70 Ų | 70 | 104.8 Ų | 104.8 | 49% | 0.49 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 144.7 | 178.9 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 540 | G | 59.8 | Low | 76.5 | Confident | 57 Ų | 57 | 101 Ų | 101 | 59% | 0.588 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | 3.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116 | V502 | V502-G540 WeakPolarHBondContact CG1-O 3.43Š|
| 541 | L | 59.3 | Low | 75 | Confident | 183 Ų | 183 | 102 Ų | 102 | 96% | 0.958 | 54% | 0.543 | S | S | * | . | trans | -82.1 | 0 | 172.5 | -84.5 | 168.2 | 0 | 0 | 0 | 113.3 | V502 | V502-L541 HydrophobicContact CG1-CG 4.37Å; V502-L541 HydrophobicContact CG2-CD2 3.96Å; V502-L541 HydrophobicContact CG2-CG 4.32Å |
Retrieved 541 of 541 residues in 649.2 ms
(Link to these results)