| 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 | 34.9 | Very low | 37.1 | Very low | 240 Ų | 240 | 157.6 Ų | 157.6 | 100% | 1.182 | 81% | 0.813 | S | S | * | * | 0 | 103.8 | 0 | -72.6 | 176.4 | -175 | 0 | 0 | 107.1 | |||||
| 2 | S | 30.4 | Very low | 40.9 | Very low | 111 Ų | 111 | 151 Ų | 151 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -72.3 | 127.7 | 175.8 | 53.3 | 0 | 0 | 0 | 0 | 108.5 | Q4 | S2-Q4 VanDerWaalsContact C-N 3.34Å; S2-Q4 PolarHBondContact O-N 3.31Å | ||
| 3 | F | 31.8 | Very low | 45 | Very low | 203 Ų | 203 | 141.8 Ų | 141.8 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | trans | -66.8 | 97 | 168.5 | -82 | -94.1 | 0 | 0 | 0 | 107.6 | V5 | F3-V5 VanDerWaalsContact C-N 3.29Å; F3-V5 PolarHBondContact O-N 2.8Å | ||
| 4 | Q | 28.7 | Very low | 48.7 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | trans | -65.6 | 97.1 | 161.9 | -85.5 | -177.1 | -13.6 | 0 | 0 | 107.2 | S2 K6 | S2-Q4 VanDerWaalsContact C-N 3.34Å; S2-Q4 PolarHBondContact O-N 3.31Å; Q4-K6 VanDerWaalsContact C-N 3.34Å; Q4-K6 PolarHBondContact O-N 3.45Å | ||
| 5 | V | 35 | Very low | 51.9 | Low | 131 Ų | 131 | 124.4 Ų | 124.4 | 79% | 0.794 | 65% | 0.646 | S | S | * | * | trans | -57.7 | 104.4 | 158.6 | 179.1 | 0 | 0 | 0 | 0 | 105.5 | F3 K7 | F3-V5 VanDerWaalsContact C-N 3.29Å; F3-V5 PolarHBondContact O-N 2.8Å; V5-K7 PolarHBondContact O-N 3.07Å | ||
| 6 | K | 31.1 | Very low | 54.8 | Low | 199 Ų | 199 | 116.7 Ų | 116.7 | 87% | 0.865 | 61% | 0.606 | S | S | * | * | trans | -54.7 | 109.3 | 168 | -82.8 | -179.5 | 172.9 | 179.8 | 0 | 106.3 | Q4 R8 | Q4-K6 VanDerWaalsContact C-N 3.34Å; Q4-K6 PolarHBondContact O-N 3.45Å; K6-R8 PolarHBondContact O-N 3.33Å | ||
| 7 | K | 35.7 | Very low | 57.3 | Low | 203 Ų | 203 | 116.4 Ų | 116.4 | 88% | 0.883 | 60% | 0.599 | S | S | * | * | trans | -49.4 | 113.7 | 163.1 | -91.1 | -177 | 171.5 | -176.9 | 0 | 105.8 | V5 | V5-K7 PolarHBondContact O-N 3.07Š| ||
| 8 | R | 38.8 | Very low | 59.4 | Low | 221 Ų | 221 | 111.3 Ų | 111.3 | 83% | 0.834 | 58% | 0.58 | S | S | * | * | trans | -52.6 | 143.8 | 160.1 | -77.7 | -179 | 175.9 | -179.5 | -2 | 106.4 | K6 A10 | K6-R8 PolarHBondContact O-N 3.33Å; R8-A10 PolarHBondContact O-N 2.94Å | ||
| 9 | P | 39 | Very low | 61.3 | Low | 124 Ų | 124 | 105.4 Ų | 105.4 | 81% | 0.805 | 55% | 0.549 | S | S | * | . | trans | -48.5 | 133.2 | 166.1 | -8.3 | 18.3 | 0 | 0 | 0 | 106.6 | G11 | P9-G11 PolarHBondContact O-N 3.43Š| ||
| 10 | A | 45.7 | Very low | 63.2 | Low | 100 Ų | 100 | 102.2 Ų | 102.2 | 83% | 0.826 | 53% | 0.531 | S | S | * | . | trans | -58.9 | 107.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | R8 | R8-A10 PolarHBondContact O-N 2.94Š| ||
| 11 | G | 57.1 | Low | 64.9 | Low | 26 Ų | 26 | 97.3 Ų | 97.3 | 27% | 0.268 | 51% | 0.506 | S | S | . | . | trans | -59.1 | 150.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | P9 C13 D36 | P9-G11 PolarHBondContact O-N 3.43Å; G11-C13 PolarHBondContact O-N 3.19Å; G11-C13 PolarHBondContact O-SG 2.77Å; G11-D36 WeakPolarHBondContact CA-OD1 3.36Å | ||
| 12 | D | 82.2 | Confident | 68 | Low | 78 Ų | 78 | 85.9 Ų | 85.9 | 42% | 0.417 | 45% | 0.449 | S | S | . | . | trans | -60.4 | 100.9 | 177.2 | -67.2 | -30.8 | 0 | 0 | 0 | 108 | D36 R448 | D12-D36 PolarHBondContact O-N 3.49Å; D12-R448 WeakPolarHBondContact OD2-CG 3.48Å; D12-R448 IonicContact OD2-CZ 3.8Å; D12-R448 IonicContact OD2-NE 2.66Å; D12-R448 PolarHBondContact OD2-NE 2.94Å; D12-R448 IonicContact OD2-NH2 2.76Å | ||
| 13 | C | 94.3 | Very high | 71.2 | Confident | 31 Ų | 31 | 80.8 Ų | 80.8 | 21% | 0.209 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.6 | 179.8 | -65.4 | 0 | 0 | 0 | 0 | 109.2 | G11 Y33 I34 V52 | G11-C13 PolarHBondContact O-N 3.19Å; G11-C13 PolarHBondContact O-SG 2.77Å; C13-Y33 HydrophobicContact CB-CE2 4.31Å; C13-I34 WeakPolarHBondContact CA-O 3.3Å; C13-V52 HydrophobicContact CB-CG1 4.11Å; C13-V52 HydrophobicContact CB-CG2 3.9Å |
| 14 | L | 96.9 | Very high | 74.4 | Confident | 12 Ų | 12 | 72.8 Ų | 72.8 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.6 | 177.1 | -57.7 | 174.5 | 0 | 0 | 0 | 110.2 | Y33 I34 K53 I444 G447 V449 | L14-Y33 WeakPolarHBondContact O-CD2 3.22Å; L14-I34 HydrophobicContact CB-CB 4.18Å; L14-I34 HydrophobicContact CB-CD1 4.17Å; L14-I34 HydrophobicContact CD1-CD1 4.44Å; L14-I34 PolarHBondContact N-O 3.45Å; L14-I34 PolarHBondContact O-N 2.89Å; L14-K53 WeakPolarHBondContact CA-O 3.49Å; L14-K53 HydrophobicContact CD2-CB 3.88Å; L14-K53 HydrophobicContact CD2-CD 4.07Å; L14-K53 HydrophobicContact CD2-CG 4.25Å; L14-I444 HydrophobicContact CD1-CD1 4.17Å; L14-I444 HydrophobicContact CD1-CG2 3.98Å; L14-G447 WeakPolarHBondContact CD1-O 3.23Å; L14-V449 HydrophobicContact CD1-CG2 3.78Å; L14-V449 HydrophobicContact CD2-CG2 4.12Å |
| 15 | L | 97.6 | Very high | 77.7 | Confident | 11 Ų | 11 | 68.4 Ų | 68.4 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.8 | 167 | 177.3 | 69 | 0 | 0 | 0 | 108.6 | D31 L46 I48 V52 K53 T54 L55 | L15-D31 HydrophobicContact CD1-CB 4.08Å; L15-L46 HydrophobicContact CD1-CD1 4.25Å; L15-I48 HydrophobicContact CB-CD1 4.06Å; L15-I48 HydrophobicContact CD1-CG2 4.29Å; L15-I48 HydrophobicContact CD2-CD1 3.52Å; L15-I48 HydrophobicContact CD2-CG1 4.31Å; L15-I48 HydrophobicContact CG-CD1 4.27Å; L15-V52 HydrophobicContact CB-CG1 4.06Å; L15-K53 PolarHBondContact N-O 3.36Å; L15-T54 HydrophobicContact CD2-CG2 4.26Å; L15-T54 CarbonylContact O-C 3.55Å; L15-T54 VanDerWaalsContact O-CA 3.31Å; L15-T54 WeakPolarHBondContact O-CA 3.33Å; L15-L55 PolarHBondContact O-N 2.68Å |
| 16 | I | 98.1 | Very high | 80.7 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.5 | 165.7 | -52.7 | 173.7 | 0 | 0 | 0 | 107.2 | D31 V32 I34 L55 A57 V62 I406 I408 I444 | I16-D31 CarbonylContact O-C 3.18Å; I16-D31 VanDerWaalsContact O-CA 3.24Å; I16-D31 WeakPolarHBondContact O-CA 3.26Å; I16-D31 WeakPolarHBondContact O-CB 3.4Å; I16-V32 HydrophobicContact CB-CB 4.24Å; I16-V32 HydrophobicContact CD1-CB 4.4Å; I16-V32 PolarHBondContact N-O 2.94Å; I16-V32 PolarHBondContact O-N 3.22Å; I16-I34 HydrophobicContact CD1-CD1 4.21Å; I16-I34 HydrophobicContact CG1-CD1 4.45Å; I16-L55 HydrophobicContact CG1-CD1 4.26Å; I16-A57 HydrophobicContact CG2-CB 3.65Å; I16-V62 HydrophobicContact CD1-CG1 4.09Å; I16-V62 HydrophobicContact CG2-CG1 4.41Å; I16-V62 HydrophobicContact CG2-CG2 3.82Å; I16-I406 HydrophobicContact CD1-CB 4.32Å; I16-I406 HydrophobicContact CD1-CD1 3.97Å; I16-I406 HydrophobicContact CD1-CG2 3.72Å; I16-I408 HydrophobicContact CG2-CD1 3.95Å; I16-I408 HydrophobicContact CG2-CG1 4.32Å; I16-I444 HydrophobicContact CD1-CD1 3.66Å; I16-I444 HydrophobicContact CG1-CD1 4.06Å |
| 17 | K | 97.1 | Very high | 83.9 | Confident | 111 Ų | 111 | 59.4 Ų | 59.4 | 48% | 0.483 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.5 | -172.3 | -166.7 | 175.2 | -176.2 | 176 | 0 | 112.5 | G19 D31 T54 L55 A57 | K17-G19 VanDerWaalsContact C-N 3.33Å; K17-G19 PolarHBondContact O-N 3.39Å; K17-D31 VanDerWaalsContact CA-OD1 3.3Å; K17-D31 WeakPolarHBondContact CA-OD1 3.16Å; K17-D31 WeakPolarHBondContact CG-OD1 3.38Å; K17-T54 HydrophobicContact CB-CG2 3.99Å; K17-T54 HydrophobicContact CD-CG2 4.45Å; K17-L55 PolarHBondContact N-O 3.01Å; K17-A57 PolarHBondContact O-N 2.92Å |
| 18 | G | 94.1 | Very high | 86.9 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 26% | 0.258 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 77.4 | 6.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117 | D31 | G18-D31 PolarHBondContact N-OD1 2.97Š|
| 19 | G | 96.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -85 | 164.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | K17 A30 A57 | K17-G19 VanDerWaalsContact C-N 3.33Å; K17-G19 PolarHBondContact O-N 3.39Å; G19-A30 PolarHBondContact O-N 3.19Å; G19-A57 WeakPolarHBondContact CA-O 3.42Å | ||
| 20 | K | 98.6 | Very high | 92.6 | Very high | 41 Ų | 41 | 44 Ų | 44 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 106.7 | 168.8 | -170.7 | 176.2 | 69.7 | 170.8 | 0 | 109.1 | V22 F28 Y29 H60 L61 V62 E374 | K20-V22 HydrophobicContact CG-CG2 4.43Å; K20-V22 PolarHBondContact O-N 3.31Å; K20-F28 CarbonylContact C-O 3.54Å; K20-Y29 HydrophobicContact CB-CD1 4.13Å; K20-Y29 HydrophobicContact CB-CE1 3.86Å; K20-Y29 HydrophobicContact CD-CE2 4.5Å; K20-Y29 HydrophobicContact CG-CE1 4.47Å; K20-H60 PolarHBondContact N-O 2.76Å; K20-H60 VanDerWaalsContact N-O 3.1Å; K20-L61 HydrophobicContact CB-CD2 4.11Å; K20-L61 HydrophobicContact CD-CD2 4.45Å; K20-L61 CarbonylContact O-C 3.54Å; K20-L61 WeakPolarHBondContact O-CA 3.32Å; K20-V62 PolarHBondContact O-N 2.86Å; K20-E374 WeakPolarHBondContact CE-OE1 3.3Å; K20-E374 IonicContact NZ-OE1 2.79Å; K20-E374 PolarHBondContact NZ-OE1 3.27Å; K20-E374 IonicContact NZ-OE2 3.79Å; K20-E374 PolarHBondContact NZ-OE2 3.31Å |
| 21 | V | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 127.4 | 171.7 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | S27 F28 A30 V32 V62 I398 | V21-S27 CarbonylContact O-C 3.51Å; V21-S27 VanDerWaalsContact O-CA 3.23Å; V21-S27 WeakPolarHBondContact O-CA 3.24Å; V21-F28 HydrophobicContact CB-CD2 4.4Å; V21-F28 HydrophobicContact CB-CE1 4.45Å; V21-F28 HydrophobicContact CB-CE2 4.07Å; V21-F28 HydrophobicContact CB-CZ 4.09Å; V21-F28 HydrophobicContact CG1-CE1 4.18Å; V21-F28 HydrophobicContact CG1-CE2 4.32Å; V21-F28 HydrophobicContact CG1-CZ 3.86Å; V21-F28 HydrophobicContact CG2-CE2 4.4Å; V21-F28 PolarHBondContact N-O 2.94Å; V21-F28 PolarHBondContact O-N 3.5Å; V21-A30 HydrophobicContact CG2-CB 4.18Å; V21-V32 HydrophobicContact CG2-CG2 3.87Å; V21-V62 WeakPolarHBondContact CA-O 3.26Å; V21-V62 HydrophobicContact CG2-CB 4.27Å; V21-I398 HydrophobicContact CG1-CB 3.76Å; V21-I398 HydrophobicContact CG1-CG1 4.25Å; V21-I398 HydrophobicContact CG1-CG2 3.69Å; V21-I398 HydrophobicContact CG2-CG2 4.48Å |
| 22 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 118.5 | 177.7 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | K20 L61 V62 I63 P64 E374 V378 | K20-V22 HydrophobicContact CG-CG2 4.43Å; K20-V22 PolarHBondContact O-N 3.31Å; V22-L61 HydrophobicContact CG2-CB 4.14Å; V22-L61 HydrophobicContact CG2-CD1 4.35Å; V22-L61 HydrophobicContact CG2-CD2 4.09Å; V22-L61 HydrophobicContact CG2-CG 4.44Å; V22-V62 PolarHBondContact N-O 2.94Å; V22-I63 HydrophobicContact CB-CG2 4Å; V22-I63 HydrophobicContact CG2-CG2 4.44Å; V22-P64 WeakPolarHBondContact O-CD 3.23Å; V22-E374 HydrophobicContact CG1-CB 4.05Å; V22-E374 HydrophobicContact CG1-CG 3.85Å; V22-E374 WeakPolarHBondContact CG1-O 3.41Å; V22-E374 HydrophobicContact CG2-CG 4.43Å; V22-V378 HydrophobicContact CB-CG2 4.32Å; V22-V378 HydrophobicContact CG1-CG2 3.82Å |
| 23 | N | 98.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | trans | -112 | 176.3 | 169.3 | -79.5 | -49.4 | 0 | 0 | 0 | 109.9 | D25 Q26 N375 R397 I398 | N23-D25 VanDerWaalsContact CB-OD1 3.24Å; N23-D25 WeakPolarHBondContact CB-OD1 3.45Å; N23-D25 PolarHBondContact O-N 2.8Å; N23-Q26 PolarHBondContact N-O 3.34Å; N23-N375 WeakPolarHBondContact O-CA 3.4Å; N23-N375 WeakPolarHBondContact O-CB 3.1Å; N23-N375 PolarHBondContact O-ND2 2.97Å; N23-R397 WeakPolarHBondContact OD1-CA 3.37Å; N23-R397 WeakPolarHBondContact OD1-CG 3.41Å; N23-I398 PolarHBondContact ND2-O 2.87Å; N23-I398 PolarHBondContact OD1-N 2.7Å | ||
| 24 | D | 98.6 | Very high | 98 | Very high | 35 Ų | 35 | 34.1 Ų | 34.1 | 19% | 0.187 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -64.2 | -17.3 | 178.9 | 64.2 | -54.8 | 0 | 0 | 0 | 114.7 | N375 A379 T383 K387 R397 | D24-N375 WeakPolarHBondContact CA-O 3.44Å; D24-A379 HydrophobicContact CB-CB 3.94Å; D24-T383 HydrophobicContact CB-CG2 4.11Å; D24-K387 IonicContact OD2-NZ 2.85Å; D24-K387 PolarHBondContact OD2-NZ 2.59Å; D24-R397 IonicContact OD1-NH1 3.75Å; D24-R397 PolarHBondContact OD1-NH1 3.47Å |
| 25 | D | 98.4 | Very high | 97.9 | Very high | 85 Ų | 85 | 36.7 Ų | 36.7 | 46% | 0.455 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -108.6 | -30.6 | -175.1 | 59.6 | -41.4 | 0 | 0 | 0 | 114.6 | N23 R397 | N23-D25 VanDerWaalsContact CB-OD1 3.24Å; N23-D25 WeakPolarHBondContact CB-OD1 3.45Å; N23-D25 PolarHBondContact O-N 2.8Å; D25-R397 IonicContact OD1-CZ 3.47Å; D25-R397 VanDerWaalsContact OD1-CZ 3.28Å; D25-R397 IonicContact OD1-NH1 3.74Å; D25-R397 PolarHBondContact OD1-NH1 3.03Å; D25-R397 IonicContact OD1-NH2 3.62Å; D25-R397 PolarHBondContact OD1-NH2 3.1Å; D25-R397 IonicContact OD2-CZ 2.65Å; D25-R397 IonicContact OD2-NH1 3.05Å; D25-R397 IonicContact OD2-NH2 3.92Å; D25-R397 PolarHBondContact OD2-NH2 2.86Å |
| 26 | Q | 98.1 | Very high | 97.8 | Very high | 105 Ų | 105 | 40.7 Ų | 40.7 | 49% | 0.491 | 20% | 0.201 | S | C | . | . | trans | -162.6 | 161.4 | -178.4 | 60.8 | 177.7 | -26.8 | 0 | 0 | 112.9 | N23 F28 N375 | N23-Q26 PolarHBondContact N-O 3.34Å; Q26-F28 HydrophobicContact CG-CD1 4.05Å; Q26-F28 HydrophobicContact CG-CE1 4.25Å; Q26-N375 WeakPolarHBondContact CA-ND2 3.44Å; Q26-N375 PolarHBondContact O-ND2 2.87Å | ||
| 27 | S | 98.8 | Very high | 97.6 | Very high | 36 Ų | 36 | 41 Ų | 41 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 135.9 | 172.6 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | V21 E374 N375 | V21-S27 CarbonylContact O-C 3.51Å; V21-S27 VanDerWaalsContact O-CA 3.23Å; V21-S27 WeakPolarHBondContact O-CA 3.24Å; S27-E374 VanDerWaalsContact CB-OE1 3.26Å; S27-E374 WeakPolarHBondContact CB-OE1 3.39Å; S27-E374 PolarHBondContact OG-OE1 2.91Å; S27-N375 PolarHBondContact N-ND2 3.25Å; S27-N375 PolarHBondContact OG-ND2 2.54Å; S27-N375 PolarHBondContact OG-OD1 2.79Å |
| 28 | F | 98.4 | Very high | 97.7 | Very high | 66 Ų | 66 | 37.2 Ų | 37.2 | 29% | 0.289 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 154.4 | 178.5 | 58 | -86.8 | 0 | 0 | 0 | 111.6 | K20 V21 Q26 A30 I42 | K20-F28 CarbonylContact C-O 3.54Å; V21-F28 HydrophobicContact CB-CD2 4.4Å; V21-F28 HydrophobicContact CB-CE1 4.45Å; V21-F28 HydrophobicContact CB-CE2 4.07Å; V21-F28 HydrophobicContact CB-CZ 4.09Å; V21-F28 HydrophobicContact CG1-CE1 4.18Å; V21-F28 HydrophobicContact CG1-CE2 4.32Å; V21-F28 HydrophobicContact CG1-CZ 3.86Å; V21-F28 HydrophobicContact CG2-CE2 4.4Å; V21-F28 PolarHBondContact N-O 2.94Å; V21-F28 PolarHBondContact O-N 3.5Å; Q26-F28 HydrophobicContact CG-CD1 4.05Å; Q26-F28 HydrophobicContact CG-CE1 4.25Å; F28-A30 HydrophobicContact CD2-CB 3.82Å; F28-A30 HydrophobicContact CE2-CB 3.7Å; F28-I42 HydrophobicContact CE2-CG2 3.84Å; F28-I42 HydrophobicContact CZ-CG2 4.28Å |
| 29 | Y | 98.4 | Very high | 97.9 | Very high | 152 Ų | 152 | 36 Ų | 36 | 60% | 0.596 | 18% | 0.178 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.4 | 174.2 | -70.1 | -83.6 | 0 | 0 | 0 | 110 | K20 | K20-Y29 HydrophobicContact CB-CD1 4.13Å; K20-Y29 HydrophobicContact CB-CE1 3.86Å; K20-Y29 HydrophobicContact CD-CE2 4.5Å; K20-Y29 HydrophobicContact CG-CE1 4.47Å |
| 30 | A | 98.1 | Very high | 97.9 | Very high | 7 Ų | 7 | 41 Ų | 41 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | trans | -164.1 | 153.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G19 V21 F28 I42 | G19-A30 PolarHBondContact O-N 3.19Å; V21-A30 HydrophobicContact CG2-CB 4.18Å; F28-A30 HydrophobicContact CD2-CB 3.82Å; F28-A30 HydrophobicContact CE2-CB 3.7Å; A30-I42 HydrophobicContact CB-CG2 3.66Å | ||
| 31 | D | 98.2 | Very high | 97.9 | Very high | 18 Ų | 18 | 43 Ų | 43 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 150.7 | 165 | -58.3 | -24.1 | 0 | 0 | 0 | 109.3 | L15 I16 K17 G18 I42 G43 L46 | L15-D31 HydrophobicContact CD1-CB 4.08Å; I16-D31 CarbonylContact O-C 3.18Å; I16-D31 VanDerWaalsContact O-CA 3.24Å; I16-D31 WeakPolarHBondContact O-CA 3.26Å; I16-D31 WeakPolarHBondContact O-CB 3.4Å; K17-D31 VanDerWaalsContact CA-OD1 3.3Å; K17-D31 WeakPolarHBondContact CA-OD1 3.16Å; K17-D31 WeakPolarHBondContact CG-OD1 3.38Å; G18-D31 PolarHBondContact N-OD1 2.97Å; D31-I42 WeakPolarHBondContact O-CA 3.39Å; D31-G43 WeakPolarHBondContact CB-O 3.24Å; D31-G43 PolarHBondContact N-O 2.9Å; D31-G43 PolarHBondContact O-N 3.33Å; D31-L46 HydrophobicContact CB-CD1 3.89Å; D31-L46 HydrophobicContact CB-CG 4.17Å |
| 32 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 116 | 179.4 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | I16 V21 I34 I39 I42 V62 I398 I406 | I16-V32 HydrophobicContact CB-CB 4.24Å; I16-V32 HydrophobicContact CD1-CB 4.4Å; I16-V32 PolarHBondContact N-O 2.94Å; I16-V32 PolarHBondContact O-N 3.22Å; V21-V32 HydrophobicContact CG2-CG2 3.87Å; V32-I34 HydrophobicContact CG1-CG1 4.4Å; V32-I39 HydrophobicContact CG1-CG1 4.32Å; V32-I39 HydrophobicContact CG1-CG2 3.8Å; V32-I42 HydrophobicContact CG1-CG1 4.41Å; V32-I42 HydrophobicContact CG2-CG1 4.48Å; V32-V62 HydrophobicContact CG2-CG1 4.33Å; V32-I398 HydrophobicContact CG1-CG2 4.46Å; V32-I398 HydrophobicContact CG2-CG2 4.08Å; V32-I406 HydrophobicContact CG1-CD1 4.02Å |
| 33 | Y | 98.3 | Very high | 97.7 | Very high | 8 Ų | 8 | 46 Ų | 46 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.4 | 176 | 177.3 | -118.9 | 0 | 0 | 0 | 110.9 | C13 L14 E35 R40 Q41 I48 V52 | C13-Y33 HydrophobicContact CB-CE2 4.31Å; L14-Y33 WeakPolarHBondContact O-CD2 3.22Å; Y33-E35 HydrophobicContact CE1-CB 4.21Å; Y33-R40 HydrophobicContact CD1-CB 3.77Å; Y33-R40 HydrophobicContact CD1-CG 4.46Å; Y33-R40 HydrophobicContact CE1-CB 4.16Å; Y33-R40 HydrophobicContact CE1-CG 4.42Å; Y33-R40 PolarHBondContact O-N 3.17Å; Y33-Q41 HydrophobicContact CD1-CG 4.38Å; Y33-Q41 PolarHBondContact N-O 2.99Å; Y33-Q41 PolarHBondContact O-N 2.79Å; Y33-I48 HydrophobicContact CD2-CB 4.46Å; Y33-I48 HydrophobicContact CD2-CG2 3.7Å; Y33-I48 HydrophobicContact CE2-CG2 4.22Å; Y33-I48 HydrophobicContact CG-CG2 3.9Å; Y33-V52 HydrophobicContact CE2-CG1 4.22Å; Y33-V52 HydrophobicContact CE2-CG2 4.24Å |
| 34 | I | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.4 | -176.6 | -61.3 | 160.1 | 0 | 0 | 0 | 108.7 | C13 L14 I16 V32 T38 A404 I406 I444 | C13-I34 WeakPolarHBondContact CA-O 3.3Å; L14-I34 HydrophobicContact CB-CB 4.18Å; L14-I34 HydrophobicContact CB-CD1 4.17Å; L14-I34 HydrophobicContact CD1-CD1 4.44Å; L14-I34 PolarHBondContact N-O 3.45Å; L14-I34 PolarHBondContact O-N 2.89Å; I16-I34 HydrophobicContact CD1-CD1 4.21Å; I16-I34 HydrophobicContact CG1-CD1 4.45Å; V32-I34 HydrophobicContact CG1-CG1 4.4Å; I34-T38 WeakPolarHBondContact CA-O 3.28Å; I34-A404 HydrophobicContact CB-CB 4.29Å; I34-A404 HydrophobicContact CD1-CB 4.12Å; I34-A404 HydrophobicContact CG1-CB 3.96Å; I34-A404 HydrophobicContact CG2-CB 3.38Å; I34-I406 HydrophobicContact CD1-CD1 3.88Å; I34-I406 HydrophobicContact CG1-CD1 4.38Å; I34-I444 HydrophobicContact CD1-CD1 3.99Å; I34-I444 HydrophobicContact CD1-CG2 4.45Å |
| 35 | E | 95.9 | Very high | 96.9 | Very high | 67 Ų | 67 | 58 Ų | 58 | 31% | 0.313 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 130.4 | 174.1 | -173.2 | -177.4 | -160.5 | 0 | 0 | 108.9 | Y33 G37 T38 R40 | Y33-E35 HydrophobicContact CE1-CB 4.21Å; E35-G37 VanDerWaalsContact C-N 3.31Å; E35-G37 PolarHBondContact O-N 3.24Å; E35-T38 PolarHBondContact N-O 2.79Å; E35-T38 PolarHBondContact O-N 3.33Å; E35-R40 HydrophobicContact CB-CG 3.53Å; E35-R40 IonicContact OE2-NE 2.7Å |
| 36 | D | 93.9 | Very high | 96.6 | Very high | 94 Ų | 94 | 55.5 Ų | 55.5 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 45.7 | 176.9 | -60.5 | -34.7 | 0 | 0 | 0 | 112.8 | G11 D12 T38 | G11-D36 WeakPolarHBondContact CA-OD1 3.36Å; D12-D36 PolarHBondContact O-N 3.49Å; D36-T38 PolarHBondContact O-N 2.76Å |
| 37 | G | 95.5 | Very high | 96.2 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 10 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | E35 A404 G446 | E35-G37 VanDerWaalsContact C-N 3.31Å; E35-G37 PolarHBondContact O-N 3.24Å; G37-A404 WeakPolarHBondContact O-CB 3.43Å; G37-A404 PolarHBondContact O-N 3.2Å; G37-G446 VanDerWaalsContact CA-O 3.25Å; G37-G446 WeakPolarHBondContact CA-O 3.35Å |
| 38 | T | 98 | Very high | 95.8 | Very high | 31 Ų | 31 | 58.8 Ų | 58.8 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 143.8 | -177.6 | -50.8 | 0 | 0 | 0 | 0 | 110.8 | I34 E35 D36 R40 S402 | I34-T38 WeakPolarHBondContact CA-O 3.28Å; E35-T38 PolarHBondContact N-O 2.79Å; E35-T38 PolarHBondContact O-N 3.33Å; D36-T38 PolarHBondContact O-N 2.76Å; T38-R40 PolarHBondContact O-N 2.67Å; T38-S402 WeakPolarHBondContact CG2-O 3.49Å |
| 39 | I | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 118.3 | 171 | -59.8 | 171.7 | 0 | 0 | 0 | 109.1 | V32 I42 I398 A399 V400 G401 S402 A404 I406 | V32-I39 HydrophobicContact CG1-CG1 4.32Å; V32-I39 HydrophobicContact CG1-CG2 3.8Å; I39-I42 HydrophobicContact CG2-CD1 3.98Å; I39-I42 HydrophobicContact CG2-CG1 3.79Å; I39-I398 HydrophobicContact CD1-CD1 4.28Å; I39-I398 HydrophobicContact CD1-CG2 4.1Å; I39-A399 WeakPolarHBondContact CB-O 3.32Å; I39-V400 WeakPolarHBondContact O-CA 3.29Å; I39-G401 PolarHBondContact O-N 3Å; I39-S402 PolarHBondContact N-O 2.96Å; I39-A404 HydrophobicContact CG1-CB 4.35Å; I39-I406 HydrophobicContact CD1-CD1 3.82Å; I39-I406 HydrophobicContact CD1-CG1 4.42Å; I39-I406 HydrophobicContact CG1-CD1 3.99Å |
| 40 | R | 97.6 | Very high | 94.6 | Very high | 106 Ų | 106 | 58 Ų | 58 | 40% | 0.4 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -40.9 | -176.6 | -68 | -55.5 | -174.3 | -178 | -3.3 | 113.8 | Y33 E35 T38 V400 | Y33-R40 HydrophobicContact CD1-CB 3.77Å; Y33-R40 HydrophobicContact CD1-CG 4.46Å; Y33-R40 HydrophobicContact CE1-CB 4.16Å; Y33-R40 HydrophobicContact CE1-CG 4.42Å; Y33-R40 PolarHBondContact O-N 3.17Å; E35-R40 HydrophobicContact CB-CG 3.53Å; E35-R40 IonicContact OE2-NE 2.7Å; T38-R40 PolarHBondContact O-N 2.67Å; R40-V400 WeakPolarHBondContact O-CG1 3.38Å |
| 41 | Q | 97.8 | Very high | 94 | Very high | 81 Ų | 81 | 61.9 Ų | 61.9 | 38% | 0.379 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 145.6 | -178.3 | -56.7 | -178.3 | 22.7 | 0 | 0 | 109.9 | Y33 L46 | Y33-Q41 HydrophobicContact CD1-CG 4.38Å; Y33-Q41 PolarHBondContact N-O 2.99Å; Y33-Q41 PolarHBondContact O-N 2.79Å; Q41-L46 HydrophobicContact CB-CD1 4.14Å; Q41-L46 HydrophobicContact CB-CD2 4.17Å |
| 42 | I | 98.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 62 Ų | 62 | 23% | 0.226 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 129.2 | 172.1 | -58.1 | 170.3 | 0 | 0 | 0 | 106.3 | F28 A30 D31 V32 I39 I398 V400 | F28-I42 HydrophobicContact CE2-CG2 3.84Å; F28-I42 HydrophobicContact CZ-CG2 4.28Å; A30-I42 HydrophobicContact CB-CG2 3.66Å; D31-I42 WeakPolarHBondContact O-CA 3.39Å; V32-I42 HydrophobicContact CG1-CG1 4.41Å; V32-I42 HydrophobicContact CG2-CG1 4.48Å; I39-I42 HydrophobicContact CG2-CD1 3.98Å; I39-I42 HydrophobicContact CG2-CG1 3.79Å; I42-I398 HydrophobicContact CD1-CG2 3.97Å; I42-V400 HydrophobicContact CD1-CG2 4.46Å; I42-V400 HydrophobicContact CG1-CG2 4.32Å |
| 43 | G | 96.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 66.3 Ų | 66.3 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.9 | -177.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D31 | D31-G43 WeakPolarHBondContact CB-O 3.24Å; D31-G43 PolarHBondContact N-O 2.9Å; D31-G43 PolarHBondContact O-N 3.33Å |
| 44 | E | 92.4 | Very high | 93.5 | Very high | 149 Ų | 149 | 69.6 Ų | 69.6 | 70% | 0.696 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -89.7 | 146.3 | 176.4 | -61.5 | -178.7 | 171.3 | 0 | 0 | 110.9 | L46 | E44-L46 VanDerWaalsContact C-N 3.32Å; E44-L46 PolarHBondContact O-N 3.36Å |
| 45 | N | 88.2 | Confident | 93.4 | Very high | 141 Ų | 141 | 69.8 Ų | 69.8 | 75% | 0.754 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 54.1 | 44.3 | 172.9 | -56.8 | -62 | 0 | 0 | 0 | 113.5 | I47 | N45-I47 PolarHBondContact O-N 3.35Š|
| 46 | L | 92.3 | Very high | 93.5 | Very high | 33 Ų | 33 | 72.5 Ų | 72.5 | 17% | 0.173 | 41% | 0.411 | C | S | . | . | trans | -59.2 | 134.4 | -178.2 | -61.5 | -178.4 | 0 | 0 | 0 | 111.7 | L15 D31 Q41 E44 I48 | L15-L46 HydrophobicContact CD1-CD1 4.25Å; D31-L46 HydrophobicContact CB-CD1 3.89Å; D31-L46 HydrophobicContact CB-CG 4.17Å; Q41-L46 HydrophobicContact CB-CD1 4.14Å; Q41-L46 HydrophobicContact CB-CD2 4.17Å; E44-L46 VanDerWaalsContact C-N 3.32Å; E44-L46 PolarHBondContact O-N 3.36Å; L46-I48 HydrophobicContact CB-CG2 4.13Å; L46-I48 PolarHBondContact O-N 3.34Å | ||
| 47 | I | 89.4 | Confident | 93.6 | Very high | 160 Ų | 160 | 68 Ų | 68 | 82% | 0.821 | 39% | 0.387 | S | S | * | . | trans | -85.9 | 99.4 | 173.4 | -56.3 | 175.3 | 0 | 0 | 0 | 107.7 | N45 | N45-I47 PolarHBondContact O-N 3.35Š| ||
| 48 | I | 89.2 | Confident | 93.7 | Very high | 50 Ų | 50 | 76.6 Ų | 76.6 | 26% | 0.256 | 42% | 0.419 | S | S | . | . | trans | -107.8 | 154.3 | -178.1 | 56.7 | 151.7 | 0 | 0 | 0 | 112.6 | L15 Y33 L46 V52 | L15-I48 HydrophobicContact CB-CD1 4.06Å; L15-I48 HydrophobicContact CD1-CG2 4.29Å; L15-I48 HydrophobicContact CD2-CD1 3.52Å; L15-I48 HydrophobicContact CD2-CG1 4.31Å; L15-I48 HydrophobicContact CG-CD1 4.27Å; Y33-I48 HydrophobicContact CD2-CB 4.46Å; Y33-I48 HydrophobicContact CD2-CG2 3.7Å; Y33-I48 HydrophobicContact CE2-CG2 4.22Å; Y33-I48 HydrophobicContact CG-CG2 3.9Å; L46-I48 HydrophobicContact CB-CG2 4.13Å; L46-I48 PolarHBondContact O-N 3.34Å; I48-V52 HydrophobicContact CD1-CB 4.02Å; I48-V52 HydrophobicContact CD1-CG1 4.26Å; I48-V52 HydrophobicContact CD1-CG2 4.44Å | ||
| 49 | P | 87.9 | Confident | 93.6 | Very high | 74 Ų | 74 | 77.5 Ų | 77.5 | 48% | 0.481 | 44% | 0.435 | S | S | . | . | trans | -56.6 | 152.5 | 171.4 | -23.3 | 34 | 0 | 0 | 0 | 112.6 | V52 | P49-V52 HydrophobicContact CB-CG2 4.3Å; P49-V52 VanDerWaalsContact O-CG2 3.31Å; P49-V52 WeakPolarHBondContact O-CG2 3.33Å | ||
| 50 | S | 84.9 | Confident | 93.6 | Very high | 127 Ų | 127 | 79.6 Ų | 79.6 | 89% | 0.888 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 147.1 | 174 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 51 | G | 85.8 | Confident | 93.6 | Very high | 88 Ų | 88 | 75 Ų | 75 | 91% | 0.907 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | 10.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 52 | V | 93.6 | Very high | 93.7 | Very high | 22 Ų | 22 | 71.2 Ų | 71.2 | 13% | 0.133 | 41% | 0.41 | C | S | . | . | trans | -75.5 | 132.5 | 173.8 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | C13 L15 Y33 I48 P49 T54 | C13-V52 HydrophobicContact CB-CG1 4.11Å; C13-V52 HydrophobicContact CB-CG2 3.9Å; L15-V52 HydrophobicContact CB-CG1 4.06Å; Y33-V52 HydrophobicContact CE2-CG1 4.22Å; Y33-V52 HydrophobicContact CE2-CG2 4.24Å; I48-V52 HydrophobicContact CD1-CB 4.02Å; I48-V52 HydrophobicContact CD1-CG1 4.26Å; I48-V52 HydrophobicContact CD1-CG2 4.44Å; P49-V52 HydrophobicContact CB-CG2 4.3Å; P49-V52 VanDerWaalsContact O-CG2 3.31Å; P49-V52 WeakPolarHBondContact O-CG2 3.33Å; V52-T54 PolarHBondContact O-N 3.13Å | ||
| 53 | K | 94.3 | Very high | 93.7 | Very high | 90 Ų | 90 | 69.2 Ų | 69.2 | 39% | 0.391 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 126.8 | 173.8 | 179.8 | -178.6 | -179.5 | -174.6 | 0 | 108.8 | L14 L15 L55 E452 | L14-K53 WeakPolarHBondContact CA-O 3.49Å; L14-K53 HydrophobicContact CD2-CB 3.88Å; L14-K53 HydrophobicContact CD2-CD 4.07Å; L14-K53 HydrophobicContact CD2-CG 4.25Å; L15-K53 PolarHBondContact N-O 3.36Å; K53-L55 HydrophobicContact CD-CD2 4.49Å; K53-E452 VanDerWaalsContact NZ-CD 3.31Å; K53-E452 IonicContact NZ-OE1 3.75Å; K53-E452 PolarHBondContact NZ-OE1 3.17Å; K53-E452 VanDerWaalsContact NZ-OE1 3.14Å; K53-E452 IonicContact NZ-OE2 3.94Å; K53-E452 PolarHBondContact NZ-OE2 2.99Å |
| 54 | T | 95.6 | Very high | 93.8 | Very high | 77 Ų | 77 | 68.4 Ų | 68.4 | 47% | 0.472 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.7 | 177.8 | -57.3 | 0 | 0 | 0 | 0 | 109.6 | L15 K17 V52 | L15-T54 HydrophobicContact CD2-CG2 4.26Å; L15-T54 CarbonylContact O-C 3.55Å; L15-T54 VanDerWaalsContact O-CA 3.31Å; L15-T54 WeakPolarHBondContact O-CA 3.33Å; K17-T54 HydrophobicContact CB-CG2 3.99Å; K17-T54 HydrophobicContact CD-CG2 4.45Å; V52-T54 PolarHBondContact O-N 3.13Å |
| 55 | L | 96.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.4 | 174.1 | -58.8 | 169.6 | 0 | 0 | 0 | 107.8 | L15 I16 K17 K53 I408 V442 I444 V449 E452 | L15-L55 PolarHBondContact O-N 2.68Å; I16-L55 HydrophobicContact CG1-CD1 4.26Å; K17-L55 PolarHBondContact N-O 3.01Å; K53-L55 HydrophobicContact CD-CD2 4.49Å; L55-I408 HydrophobicContact CB-CD1 3.96Å; L55-I408 HydrophobicContact CD1-CD1 4.49Å; L55-V442 HydrophobicContact CD1-CG1 4.19Å; L55-V442 HydrophobicContact CD2-CG1 4.49Å; L55-I444 HydrophobicContact CD1-CD1 3.63Å; L55-I444 HydrophobicContact CD1-CG1 4.3Å; L55-V449 HydrophobicContact CD1-CG2 3.86Å; L55-V449 HydrophobicContact CD2-CG2 4.17Å; L55-E452 WeakPolarHBondContact CD2-OE1 3.44Å |
| 56 | D | 96.4 | Very high | 94.6 | Very high | 123 Ų | 123 | 54.7 Ų | 54.7 | 66% | 0.658 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 122.2 | 176.9 | -169.5 | -2.5 | 0 | 0 | 0 | 109.8 | Y58 | D56-Y58 VanDerWaalsContact OD1-CB 3.28Å; D56-Y58 WeakPolarHBondContact OD1-CB 3.31Å; D56-Y58 PolarHBondContact OD1-N 3.33Å |
| 57 | A | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -116 | 16.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | I16 K17 G19 G59 H60 V62 I408 | I16-A57 HydrophobicContact CG2-CB 3.65Å; K17-A57 PolarHBondContact O-N 2.92Å; G19-A57 WeakPolarHBondContact CA-O 3.42Å; A57-G59 PolarHBondContact O-N 3Å; A57-H60 WeakPolarHBondContact O-CB 3.48Å; A57-H60 PolarHBondContact O-N 3.47Å; A57-V62 HydrophobicContact CB-CG2 3.87Å; A57-I408 HydrophobicContact CB-CD1 4.14Å; A57-I408 HydrophobicContact CB-CG1 4.46Å; A57-I408 HydrophobicContact CB-CG2 3.96Å | ||
| 58 | Y | 96.4 | Very high | 95.4 | Very high | 188 Ų | 188 | 45.5 Ų | 45.5 | 74% | 0.737 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 122.1 | -177.5 | -171.1 | -91.6 | 0 | 0 | 0 | 112.3 | D56 H60 | D56-Y58 VanDerWaalsContact OD1-CB 3.28Å; D56-Y58 WeakPolarHBondContact OD1-CB 3.31Å; D56-Y58 PolarHBondContact OD1-N 3.33Å; Y58-H60 VanDerWaalsContact C-N 3.26Å; Y58-H60 PolarHBondContact O-ND1 3.49Å |
| 59 | G | 95.7 | Very high | 95.9 | Very high | 51 Ų | 51 | 43.1 Ų | 43.1 | 53% | 0.526 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -0.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A57 | A57-G59 PolarHBondContact O-N 3Š|
| 60 | H | 98.2 | Very high | 96.4 | Very high | 43 Ų | 43 | 39.8 Ų | 39.8 | 20% | 0.199 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -107 | 165.4 | 176.1 | -62.6 | 81 | 0 | 0 | 0 | 111.7 | K20 A57 Y58 I408 W409 N410 | K20-H60 PolarHBondContact N-O 2.76Å; K20-H60 VanDerWaalsContact N-O 3.1Å; A57-H60 WeakPolarHBondContact O-CB 3.48Å; A57-H60 PolarHBondContact O-N 3.47Å; Y58-H60 VanDerWaalsContact C-N 3.26Å; Y58-H60 PolarHBondContact O-ND1 3.49Å; H60-I408 HydrophobicContact CB-CG2 3.57Å; H60-W409 WeakPolarHBondContact CB-O 3.43Å; H60-N410 VanDerWaalsContact CD2-CB 3.49Å; H60-N410 WeakPolarHBondContact CD2-CB 3.28Å |
| 61 | L | 98.8 | Very high | 97 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 145.7 | 172 | -47.1 | -178.1 | 0 | 0 | 0 | 109.6 | K20 V22 I63 W363 E374 I408 W409 | K20-L61 HydrophobicContact CB-CD2 4.11Å; K20-L61 HydrophobicContact CD-CD2 4.45Å; K20-L61 CarbonylContact O-C 3.54Å; K20-L61 WeakPolarHBondContact O-CA 3.32Å; V22-L61 HydrophobicContact CG2-CB 4.14Å; V22-L61 HydrophobicContact CG2-CD1 4.35Å; V22-L61 HydrophobicContact CG2-CD2 4.09Å; V22-L61 HydrophobicContact CG2-CG 4.44Å; L61-I63 HydrophobicContact CB-CG2 3.88Å; L61-W363 HydrophobicContact CD1-CH2 3.35Å; L61-W363 HydrophobicContact CD1-CZ2 4.24Å; L61-W363 HydrophobicContact CD1-CZ3 3.81Å; L61-E374 HydrophobicContact CD1-CB 4.47Å; L61-I408 CarbonylContact O-C 3.54Å; L61-I408 WeakPolarHBondContact O-CA 3.48Å; L61-W409 HydrophobicContact CB-CB 4.21Å; L61-W409 PolarHBondContact N-O 3.23Å; L61-W409 PolarHBondContact O-N 2.99Å |
| 62 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 101.5 | 173.4 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | I16 K20 V21 V22 V32 A57 I406 | I16-V62 HydrophobicContact CD1-CG1 4.09Å; I16-V62 HydrophobicContact CG2-CG1 4.41Å; I16-V62 HydrophobicContact CG2-CG2 3.82Å; K20-V62 PolarHBondContact O-N 2.86Å; V21-V62 WeakPolarHBondContact CA-O 3.26Å; V21-V62 HydrophobicContact CG2-CB 4.27Å; V22-V62 PolarHBondContact N-O 2.94Å; V32-V62 HydrophobicContact CG2-CG1 4.33Å; A57-V62 HydrophobicContact CB-CG2 3.87Å; V62-I406 HydrophobicContact CG1-CG2 3.48Å; V62-I406 VanDerWaalsContact CG1-CG2 3.48Å |
| 63 | I | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 154.4 | -171.1 | 68 | 175.5 | 0 | 0 | 0 | 110.7 | V22 L61 F377 V378 I406 V407 W409 | V22-I63 HydrophobicContact CB-CG2 4Å; V22-I63 HydrophobicContact CG2-CG2 4.44Å; L61-I63 HydrophobicContact CB-CG2 3.88Å; I63-F377 HydrophobicContact CD1-CE1 3.78Å; I63-V378 HydrophobicContact CB-CG2 4.13Å; I63-V378 HydrophobicContact CG2-CG2 4.15Å; I63-I406 WeakPolarHBondContact O-CA 3.49Å; I63-V407 HydrophobicContact CD1-CB 4.26Å; I63-V407 HydrophobicContact CD1-CG1 4.45Å; I63-V407 HydrophobicContact CG1-CB 3.75Å; I63-V407 HydrophobicContact CG1-CG1 4.35Å; I63-V407 PolarHBondContact N-O 3.11Å; I63-V407 PolarHBondContact O-N 2.81Å; I63-W409 HydrophobicContact CD1-CB 3.96Å; I63-W409 HydrophobicContact CD1-CD2 4.26Å; I63-W409 HydrophobicContact CD1-CE3 4.29Å; I63-W409 HydrophobicContact CD1-CG 4.15Å; I63-W409 HydrophobicContact CG1-CB 4.31Å |
| 64 | P | 98.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.019 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 143.6 | 168 | -18.1 | 30.6 | 0 | 0 | 0 | 110.2 | V22 V378 I398 | V22-P64 WeakPolarHBondContact O-CD 3.23Å; P64-V378 HydrophobicContact CG-CG1 3.81Å; P64-I398 HydrophobicContact CB-CD1 4.33Å; P64-I398 HydrophobicContact CG-CD1 4.16Å; P64-I398 HydrophobicContact CG-CG1 4.01Å |
| 65 | G | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -57.1 | 142.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T99 S382 D405 | G65-T99 WeakPolarHBondContact CA-OG1 3.31Å; G65-S382 WeakPolarHBondContact O-CB 3.22Å; G65-D405 PolarHBondContact N-O 2.97Å |
| 66 | G | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 143.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G97 T98 T99 T100 | G66-G97 PolarHBondContact N-O 3.47Å; G66-T98 WeakPolarHBondContact O-CG2 3.48Å; G66-T99 PolarHBondContact O-N 3.42Å; G66-T100 PolarHBondContact O-N 3.2Å |
| 67 | V | 98.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 112 | 170.2 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | T100 R358 T381 A385 M391 K395 | V67-T100 CarbonylContact C-O 3.54Å; V67-T100 WeakPolarHBondContact CA-O 3.47Å; V67-T100 HydrophobicContact CG1-CG2 4.36Å; V67-R358 PolarHBondContact O-NH1 2.99Å; V67-T381 PolarHBondContact N-O 2.82Å; V67-A385 HydrophobicContact CB-CB 4.01Å; V67-A385 HydrophobicContact CG1-CB 3.78Å; V67-M391 HydrophobicContact CG1-CE 3.94Å; V67-K395 HydrophobicContact CG2-CB 4.41Å |
| 68 | D | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.6 | 174.7 | -166.1 | -21.2 | 0 | 0 | 0 | 109.1 | N70 T71 T98 T100 I101 I102 S327 S328 R358 | D68-N70 PolarHBondContact OD1-N 2.9Å; D68-T71 HydrophobicContact CB-CG2 4.37Å; D68-T98 HydrophobicContact CB-CG2 3.77Å; D68-T100 PolarHBondContact N-O 3.33Å; D68-I101 HydrophobicContact CB-CG2 4.33Å; D68-I101 CarbonylContact O-C 3.54Å; D68-I101 VanDerWaalsContact O-CA 3.3Å; D68-I101 WeakPolarHBondContact O-CA 3.49Å; D68-I102 PolarHBondContact O-N 3.43Å; D68-S327 WeakPolarHBondContact OD1-CA 3.48Å; D68-S327 WeakPolarHBondContact OD1-CB 3.42Å; D68-S328 PolarHBondContact OD1-N 3.07Å; D68-S328 WeakPolarHBondContact OD2-CB 3.49Å; D68-S328 PolarHBondContact OD2-N 3.22Å; D68-S328 VanDerWaalsContact OD2-N 3.16Å; D68-S328 PolarHBondContact OD2-OG 2.88Å; D68-R358 IonicContact OD2-NE 3.47Å |
| 69 | A | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 9.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I102 H135 V325 S327 A385 F389 | A69-I102 HydrophobicContact CB-CD1 4.17Å; A69-H135 PolarHBondContact O-CD2 3.04Å; A69-H135 PolarHBondContact O-NE2 3.14Å; A69-V325 HydrophobicContact CB-CG1 4.13Å; A69-S327 WeakPolarHBondContact CA-OG 3.49Å; A69-S327 WeakPolarHBondContact CB-OG 3.2Å; A69-S327 PolarHBondContact N-OG 2.99Å; A69-S327 VanDerWaalsContact N-OG 3.14Å; A69-A385 HydrophobicContact CB-CB 4.28Å; A69-F389 HydrophobicContact CB-CD2 4.18Å; A69-F389 HydrophobicContact CB-CE2 3.62Å |
| 70 | N | 98.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.016 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 97.6 | 179.1 | -166.7 | -27.7 | 0 | 0 | 0 | 109.5 | D68 H104 E274 S327 A329 | D68-N70 PolarHBondContact OD1-N 2.9Å; N70-H104 PolarHBondContact OD1-CD2 3.46Å; N70-H104 VanDerWaalsContact OD1-CD2 3.29Å; N70-H104 PolarHBondContact OD1-NE2 2.9Å; N70-E274 PolarHBondContact ND2-OE2 3.27Å; N70-S327 VanDerWaalsContact CB-CB 3.45Å; N70-S327 PolarHBondContact N-OG 3.16Å; N70-A329 WeakPolarHBondContact O-CA 3.46Å; N70-A329 PolarHBondContact O-N 2.79Å |
| 71 | T | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 155.3 | 170.4 | 64.9 | 0 | 0 | 0 | 0 | 110.5 | D68 I101 I102 D103 H104 Q330 I355 | D68-T71 HydrophobicContact CB-CG2 4.37Å; T71-I101 HydrophobicContact CG2-CB 4.11Å; T71-I101 HydrophobicContact CG2-CG2 4.16Å; T71-I102 PolarHBondContact N-O 3.02Å; T71-D103 WeakPolarHBondContact CB-OD2 3.39Å; T71-D103 CarbonylContact O-C 2.95Å; T71-D103 WeakPolarHBondContact O-CA 3.42Å; T71-D103 VanDerWaalsContact O-OD2 3.09Å; T71-D103 WeakPolarHBondContact OG1-CA 3.32Å; T71-D103 WeakPolarHBondContact OG1-CB 3.31Å; T71-D103 PolarHBondContact OG1-OD2 3.31Å; T71-H104 PolarHBondContact O-N 2.87Å; T71-Q330 HydrophobicContact CG2-CB 4.46Å; T71-I355 HydrophobicContact CG2-CD1 3.82Å |
| 72 | N | 97.7 | Very high | 95.9 | Very high | 20 Ų | 20 | 20.6 Ų | 20.6 | 11% | 0.107 | 12% | 0.121 | C | C | . | . | trans | -136.1 | 73.6 | 176.1 | -65.4 | -96.3 | 0 | 0 | 0 | 108.6 | A75 P82 D103 H104 Q330 A331 | N72-A75 HydrophobicContact CB-CB 4.23Å; N72-P82 WeakPolarHBondContact O-CG 3.35Å; N72-D103 WeakPolarHBondContact CA-OD2 3.31Å; N72-D103 PolarHBondContact N-OD2 3.35Å; N72-H104 WeakPolarHBondContact OD1-CB 3.28Å; N72-Q330 CarbonylContact C-O 3.59Å; N72-Q330 WeakPolarHBondContact CA-O 3.31Å; N72-Q330 PolarHBondContact N-O 2.65Å; N72-A331 HydrophobicContact CB-CB 4Å | ||
| 73 | L | 97.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -87.7 | -5.8 | -176.1 | -59.1 | -177.7 | 0 | 0 | 0 | 113.4 | D85 F86 T90 I101 D103 Q330 | L73-D85 WeakPolarHBondContact O-CA 3.41Å; L73-F86 HydrophobicContact CB-CD1 4.25Å; L73-F86 HydrophobicContact CB-CE1 4.32Å; L73-F86 HydrophobicContact CB-CG 4.39Å; L73-F86 HydrophobicContact CD1-CD1 3.95Å; L73-F86 HydrophobicContact CD1-CE1 4.33Å; L73-T90 HydrophobicContact CD1-CG2 4.35Å; L73-I101 HydrophobicContact CD1-CD1 3.64Å; L73-D103 PolarHBondContact N-OD2 3.08Å; L73-Q330 HydrophobicContact CD2-CG 3.82Å |
| 74 | Q | 95.2 | Very high | 95.6 | Very high | 37 Ų | 37 | 22.2 Ų | 22.2 | 17% | 0.173 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -140.2 | -17.7 | 179 | -179.5 | 168 | -15.6 | 0 | 0 | 113.7 | P76 F86 W120 T123 | Q74-P76 WeakPolarHBondContact O-CD 3.46Å; Q74-F86 HydrophobicContact CB-CD2 4.44Å; Q74-F86 HydrophobicContact CB-CE2 3.87Å; Q74-F86 VanDerWaalsContact OE1-CE2 3.28Å; Q74-W120 HydrophobicContact CB-CZ2 4.27Å; Q74-W120 HydrophobicContact CG-CD2 4.46Å; Q74-W120 HydrophobicContact CG-CZ2 4.06Å; Q74-T123 VanDerWaalsContact OE1-CB 3.26Å |
| 75 | A | 93.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | trans | -63.8 | 118.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | N72 P82 L106 W120 | N72-A75 HydrophobicContact CB-CB 4.23Å; A75-P82 VanDerWaalsContact O-CD 3.28Å; A75-P82 WeakPolarHBondContact O-CD 3.37Å; A75-P82 WeakPolarHBondContact O-CG 3.48Å; A75-L106 HydrophobicContact CB-CB 3.79Å; A75-L106 HydrophobicContact CB-CD2 4.4Å; A75-W120 HydrophobicContact CB-CZ2 4.37Å | ||
| 76 | P | 91.9 | Very high | 95.5 | Very high | 27 Ų | 27 | 24.1 Ų | 24.1 | 18% | 0.175 | 14% | 0.142 | C | C | . | . | trans | -72 | 141.9 | -178.1 | 29 | -34.6 | 0 | 0 | 0 | 111.8 | Q74 L80 L106 | Q74-P76 WeakPolarHBondContact O-CD 3.46Å; P76-L80 CarbonylContact C-O 3.44Å; P76-L80 WeakPolarHBondContact CA-O 3.31Å; P76-L106 HydrophobicContact CG-CD2 4.39Å; P76-L106 WeakPolarHBondContact O-CD2 3.37Å | ||
| 77 | Q | 91.2 | Very high | 95.4 | Very high | 28 Ų | 28 | 27.1 Ų | 27.1 | 13% | 0.131 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -115.1 | 122 | 170.6 | -69.7 | -63.1 | -23.6 | 0 | 0 | 110.1 | G79 L80 F333 P349 | Q77-G79 PolarHBondContact O-N 3.37Å; Q77-L80 PolarHBondContact N-O 3.02Å; Q77-L80 WeakPolarHBondContact O-CB 3.2Å; Q77-L80 PolarHBondContact O-N 3.23Å; Q77-F333 HydrophobicContact CB-CE1 4Å; Q77-F333 HydrophobicContact CB-CE2 4.07Å; Q77-F333 HydrophobicContact CB-CZ 3.44Å; Q77-F333 VanDerWaalsContact CB-CZ 3.44Å; Q77-F333 HydrophobicContact CG-CE1 4.47Å; Q77-F333 HydrophobicContact CG-CE2 3.9Å; Q77-F333 HydrophobicContact CG-CZ 3.48Å; Q77-F333 VanDerWaalsContact CG-CZ 3.48Å; Q77-P349 HydrophobicContact CB-CB 4.05Å |
| 78 | K | 86.9 | Confident | 95.4 | Very high | 77 Ų | 77 | 28.8 Ų | 28.8 | 34% | 0.335 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 35.4 | -178 | -54.8 | 179.3 | -164 | -77 | 0 | 113.1 | T346 I348 E350 | K78-T346 WeakPolarHBondContact CE-O 3.34Å; K78-T346 PolarHBondContact NZ-O 2.79Å; K78-I348 WeakPolarHBondContact CE-O 3.44Å; K78-E350 IonicContact NZ-OE1 3.94Å |
| 79 | G | 88.5 | Confident | 95.3 | Very high | 67 Ų | 67 | 28.8 Ų | 28.8 | 69% | 0.691 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | 1.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q77 | Q77-G79 PolarHBondContact O-N 3.37Š|
| 80 | L | 93.8 | Very high | 95.3 | Very high | 42 Ų | 42 | 28.8 Ų | 28.8 | 22% | 0.22 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -101.1 | 132.5 | 176.9 | -57.1 | 168 | 0 | 0 | 0 | 109.6 | P76 Q77 F333 Q337 V340 P349 | P76-L80 CarbonylContact C-O 3.44Å; P76-L80 WeakPolarHBondContact CA-O 3.31Å; Q77-L80 PolarHBondContact N-O 3.02Å; Q77-L80 WeakPolarHBondContact O-CB 3.2Å; Q77-L80 PolarHBondContact O-N 3.23Å; L80-F333 HydrophobicContact CB-CD1 4.4Å; L80-F333 HydrophobicContact CB-CE1 4.28Å; L80-Q337 HydrophobicContact CD1-CB 4.26Å; L80-V340 HydrophobicContact CD1-CG2 4.13Å; L80-P349 HydrophobicContact CD1-CB 4.15Å; L80-P349 HydrophobicContact CD1-CG 3.84Å |
| 81 | I | 94.4 | Very high | 95.3 | Very high | 112 Ų | 112 | 30.9 Ų | 30.9 | 57% | 0.574 | 17% | 0.171 | S | C | * | . | P | Polyproline II helix | trans | -84 | 140.5 | 175.6 | -58.7 | 174.3 | 0 | 0 | 0 | 108.6 | Q337 | I81-Q337 PolarHBondContact O-NE2 2.97Š|
| 82 | P | 95.7 | Very high | 95.3 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -51 | 144.4 | 172.6 | -27 | 35.2 | 0 | 0 | 0 | 112.4 | N72 A75 S332 F333 | N72-P82 WeakPolarHBondContact O-CG 3.35Å; A75-P82 VanDerWaalsContact O-CD 3.28Å; A75-P82 WeakPolarHBondContact O-CD 3.37Å; A75-P82 WeakPolarHBondContact O-CG 3.48Å; P82-S332 CarbonylContact C-O 3.38Å; P82-S332 WeakPolarHBondContact CA-O 3.49Å; P82-F333 HydrophobicContact CG-CE1 4.36Å; P82-F333 HydrophobicContact CG-CZ 4.15Å |
| 83 | C | 94.8 | Very high | 95.4 | Very high | 36 Ų | 36 | 30 Ų | 30 | 24% | 0.243 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -76.8 | -29.6 | -179.1 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | S332 T425 | C83-S332 PolarHBondContact N-O 3.18Å; C83-S332 PolarHBondContact SG-O 3.1Å; C83-T425 PolarHBondContact O-OG1 3.35Å; C83-T425 PolarHBondContact SG-OG1 3.31Å |
| 84 | D | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -95.8 | 109.5 | 171.3 | -56.9 | -62.2 | 0 | 0 | 0 | 110.5 | Q88 S332 L424 T425 | D84-Q88 HydrophobicContact CB-CB 4.21Å; D84-Q88 HydrophobicContact CB-CG 4.32Å; D84-Q88 VanDerWaalsContact OD1-CG 3.25Å; D84-Q88 WeakPolarHBondContact OD1-CG 3.37Å; D84-S332 WeakPolarHBondContact CB-OG 3.44Å; D84-S332 PolarHBondContact N-OG 3.34Å; D84-S332 WeakPolarHBondContact OD2-CB 2.9Å; D84-S332 PolarHBondContact OD2-OG 3.36Å; D84-L424 HydrophobicContact CB-CD2 4.13Å; D84-T425 WeakPolarHBondContact OD1-CB 3.36Å; D84-T425 PolarHBondContact OD1-N 3.24Å; D84-T425 PolarHBondContact OD1-OG1 2.89Å |
| 85 | D | 96.6 | Very high | 95.6 | Very high | 43 Ų | 43 | 29 Ų | 29 | 23% | 0.23 | 16% | 0.163 | C | C | . | . | trans | -82.2 | -175.1 | 176.7 | 59.7 | 41.1 | 0 | 0 | 0 | 113.1 | L73 Y87 Q88 G89 R127 | L73-D85 WeakPolarHBondContact O-CA 3.41Å; D85-Y87 PolarHBondContact O-N 3.3Å; D85-Y87 VanDerWaalsContact O-N 3.17Å; D85-Y87 WeakPolarHBondContact OD1-CA 3.47Å; D85-Y87 WeakPolarHBondContact OD1-CB 3.3Å; D85-Y87 PolarHBondContact OD1-N 2.66Å; D85-Q88 PolarHBondContact O-N 3.06Å; D85-Q88 PolarHBondContact OD1-N 3.12Å; D85-G89 PolarHBondContact O-N 2.86Å; D85-R127 VanDerWaalsContact CG-CZ 3.41Å; D85-R127 VanDerWaalsContact CG-NH2 3.27Å; D85-R127 IonicContact OD1-CZ 2.93Å; D85-R127 IonicContact OD1-NH1 3.88Å; D85-R127 IonicContact OD1-NH2 2.62Å; D85-R127 PolarHBondContact OD1-NH2 2.78Å; D85-R127 IonicContact OD2-CZ 3.5Å; D85-R127 IonicContact OD2-NH1 3.86Å; D85-R127 PolarHBondContact OD2-NH1 2.68Å; D85-R127 IonicContact OD2-NH2 3.69Å; D85-R127 PolarHBondContact OD2-NH2 2.74Å | ||
| 86 | F | 98.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.6 | -33.9 | 176.9 | -82.9 | -69.7 | 0 | 0 | 0 | 114 | L73 Q74 T90 I101 D103 W120 T123 A124 R127 F134 | L73-F86 HydrophobicContact CB-CD1 4.25Å; L73-F86 HydrophobicContact CB-CE1 4.32Å; L73-F86 HydrophobicContact CB-CG 4.39Å; L73-F86 HydrophobicContact CD1-CD1 3.95Å; L73-F86 HydrophobicContact CD1-CE1 4.33Å; Q74-F86 HydrophobicContact CB-CD2 4.44Å; Q74-F86 HydrophobicContact CB-CE2 3.87Å; Q74-F86 VanDerWaalsContact OE1-CE2 3.28Å; F86-T90 VanDerWaalsContact O-CB 3.29Å; F86-T90 WeakPolarHBondContact O-CB 3.42Å; F86-T90 WeakPolarHBondContact O-CG2 3.37Å; F86-T90 PolarHBondContact O-N 2.83Å; F86-T90 PolarHBondContact O-OG1 2.95Å; F86-I101 HydrophobicContact CD1-CD1 4.14Å; F86-I101 HydrophobicContact CE1-CD1 4.06Å; F86-D103 HydrophobicContact CE1-CB 3.83Å; F86-D103 HydrophobicContact CZ-CB 3.88Å; F86-D103 WeakPolarHBondContact CZ-OD1 3.2Å; F86-W120 AromaticContact CZ-CD1 3.95Å; F86-T123 HydrophobicContact CD2-CG2 4.27Å; F86-A124 HydrophobicContact CD1-CB 3.88Å; F86-A124 HydrophobicContact CD2-CB 3.99Å; F86-A124 HydrophobicContact CE1-CB 3.89Å; F86-A124 HydrophobicContact CE2-CB 3.98Å; F86-A124 HydrophobicContact CG-CB 3.95Å; F86-A124 HydrophobicContact CZ-CB 3.95Å; F86-R127 HydrophobicContact CB-CB 3.92Å; F86-F134 HydrophobicContact CE1-CE1 4.29Å; F86-F134 AromaticContact CZ-CE1 3.89Å; F86-F134 HydrophobicContact CZ-CE1 3.89Å |
| 87 | Y | 98.2 | Very high | 96.1 | Very high | 63 Ų | 63 | 27.9 Ų | 27.9 | 25% | 0.247 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.3 | -55.6 | 178.4 | 172 | -110.3 | 0 | 0 | 0 | 110.4 | D85 T90 K91 R127 C129 V458 E460 | D85-Y87 PolarHBondContact O-N 3.3Å; D85-Y87 VanDerWaalsContact O-N 3.17Å; D85-Y87 WeakPolarHBondContact OD1-CA 3.47Å; D85-Y87 WeakPolarHBondContact OD1-CB 3.3Å; D85-Y87 PolarHBondContact OD1-N 2.66Å; Y87-T90 PolarHBondContact O-OG1 2.81Å; Y87-K91 WeakPolarHBondContact O-CB 3.46Å; Y87-K91 PolarHBondContact O-N 3.46Å; Y87-R127 WeakPolarHBondContact CA-O 3.49Å; Y87-C129 WeakPolarHBondContact CD2-SG 3.43Å; Y87-V458 HydrophobicContact CE2-CG2 4.47Å; Y87-E460 HydrophobicContact CD2-CB 3.68Å; Y87-E460 HydrophobicContact CD2-CG 3.62Å; Y87-E460 HydrophobicContact CE2-CB 3.8Å; Y87-E460 HydrophobicContact CE2-CG 4.23Å; Y87-E460 HydrophobicContact CG-CG 4.19Å |
| 88 | Q | 97.8 | Very high | 96.5 | Very high | 36 Ų | 36 | 26.5 Ų | 26.5 | 17% | 0.168 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.7 | -43.6 | -176.1 | -166.4 | 71.7 | 23.3 | 0 | 0 | 112.1 | D84 D85 K91 A92 N423 T425 | D84-Q88 HydrophobicContact CB-CB 4.21Å; D84-Q88 HydrophobicContact CB-CG 4.32Å; D84-Q88 VanDerWaalsContact OD1-CG 3.25Å; D84-Q88 WeakPolarHBondContact OD1-CG 3.37Å; D85-Q88 PolarHBondContact O-N 3.06Å; D85-Q88 PolarHBondContact OD1-N 3.12Å; Q88-K91 WeakPolarHBondContact O-CB 3.28Å; Q88-K91 PolarHBondContact O-N 3.09Å; Q88-A92 PolarHBondContact O-N 3.24Å; Q88-N423 PolarHBondContact NE2-O 3.22Å; Q88-T425 HydrophobicContact CG-CG2 3.95Å |
| 89 | G | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D85 A92 A93 | D85-G89 PolarHBondContact O-N 2.86Å; G89-A92 PolarHBondContact O-N 3.42Å; G89-A93 WeakPolarHBondContact O-CB 3.22Å; G89-A93 PolarHBondContact O-N 2.83Å |
| 90 | T | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -73.3 | -28.9 | 177.7 | 59.4 | 0 | 0 | 0 | 0 | 113 | L73 F86 Y87 A93 L94 I101 A128 C129 | L73-T90 HydrophobicContact CD1-CG2 4.35Å; F86-T90 VanDerWaalsContact O-CB 3.29Å; F86-T90 WeakPolarHBondContact O-CB 3.42Å; F86-T90 WeakPolarHBondContact O-CG2 3.37Å; F86-T90 PolarHBondContact O-N 2.83Å; F86-T90 PolarHBondContact O-OG1 2.95Å; Y87-T90 PolarHBondContact O-OG1 2.81Å; T90-A93 WeakPolarHBondContact O-CB 3.3Å; T90-A93 PolarHBondContact O-N 3.02Å; T90-L94 WeakPolarHBondContact O-CG 3.03Å; T90-L94 PolarHBondContact O-N 2.83Å; T90-I101 HydrophobicContact CG2-CD1 3.6Å; T90-I101 HydrophobicContact CG2-CG1 4.24Å; T90-A128 HydrophobicContact CG2-CB 4.1Å; T90-C129 WeakPolarHBondContact OG1-CB 3.49Å; T90-C129 PolarHBondContact OG1-N 3.2Å |
| 91 | K | 98.2 | Very high | 97.8 | Very high | 48 Ų | 48 | 17.7 Ų | 17.7 | 21% | 0.209 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 169.2 | -178.4 | -176.1 | 174.9 | -170.5 | 0 | 110.6 | Y87 Q88 L94 S95 L456 V458 | Y87-K91 WeakPolarHBondContact O-CB 3.46Å; Y87-K91 PolarHBondContact O-N 3.46Å; Q88-K91 WeakPolarHBondContact O-CB 3.28Å; Q88-K91 PolarHBondContact O-N 3.09Å; K91-L94 PolarHBondContact O-N 3.24Å; K91-S95 PolarHBondContact O-N 2.58Å; K91-L456 HydrophobicContact CB-CD2 4.45Å; K91-L456 HydrophobicContact CD-CD2 4.09Å; K91-L456 HydrophobicContact CG-CD2 3.24Å; K91-L456 HydrophobicContact CG-CG 4.41Å; K91-L456 WeakPolarHBondContact O-CD2 3.24Å; K91-V458 HydrophobicContact CB-CG2 4.44Å; K91-V458 HydrophobicContact CD-CG2 4.29Å; K91-V458 HydrophobicContact CG-CG2 3.97Å |
| 92 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q88 G89 L94 S95 G96 I355 E356 N423 L424 | Q88-A92 PolarHBondContact O-N 3.24Å; G89-A92 PolarHBondContact O-N 3.42Å; A92-L94 VanDerWaalsContact C-N 3.34Å; A92-L94 PolarHBondContact O-N 2.73Å; A92-S95 WeakPolarHBondContact O-CB 3.49Å; A92-S95 PolarHBondContact O-N 2.83Å; A92-G96 PolarHBondContact O-N 3.37Å; A92-I355 HydrophobicContact CB-CG2 3.76Å; A92-E356 HydrophobicContact CB-CB 4.26Å; A92-N423 HydrophobicContact CB-CB 4.1Å; A92-L424 HydrophobicContact CB-CD2 3.47Å; A92-L424 VanDerWaalsContact CB-CD2 3.47Å; A92-L424 HydrophobicContact CB-CG 3.93Å |
| 93 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -56.4 | -47.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G89 T90 G96 G97 T98 I101 I355 | G89-A93 WeakPolarHBondContact O-CB 3.22Å; G89-A93 PolarHBondContact O-N 2.83Å; T90-A93 WeakPolarHBondContact O-CB 3.3Å; T90-A93 PolarHBondContact O-N 3.02Å; A93-G96 CarbonylContact O-C 3.48Å; A93-G96 WeakPolarHBondContact O-CA 3.48Å; A93-G96 PolarHBondContact O-N 3.25Å; A93-G96 VanDerWaalsContact O-N 3.14Å; A93-G97 PolarHBondContact O-N 3.12Å; A93-T98 CarbonylContact C-O 3.57Å; A93-T98 HydrophobicContact CB-CG2 4.03Å; A93-T98 WeakPolarHBondContact O-CA 3.45Å; A93-T98 WeakPolarHBondContact O-CB 3.24Å; A93-T98 PolarHBondContact O-N 2.94Å; A93-T98 VanDerWaalsContact O-O 3.11Å; A93-I101 HydrophobicContact CB-CG2 4.32Å; A93-I355 HydrophobicContact CB-CD1 3.8Å; A93-I355 HydrophobicContact CB-CG1 3.75Å |
| 94 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.8 | -38.7 | 178.7 | -73.5 | 173 | 0 | 0 | 0 | 112.5 | T90 K91 A92 G96 G97 T98 T99 C129 C130 V443 V450 L456 V458 | T90-L94 WeakPolarHBondContact O-CG 3.03Å; T90-L94 PolarHBondContact O-N 2.83Å; K91-L94 PolarHBondContact O-N 3.24Å; A92-L94 VanDerWaalsContact C-N 3.34Å; A92-L94 PolarHBondContact O-N 2.73Å; L94-G96 PolarHBondContact O-N 3.32Å; L94-G97 PolarHBondContact O-N 2.8Å; L94-G97 VanDerWaalsContact O-N 3.13Å; L94-T98 WeakPolarHBondContact CA-O 3.39Å; L94-T98 PolarHBondContact N-O 2.92Å; L94-T99 HydrophobicContact CD2-CG2 4.15Å; L94-C129 HydrophobicContact CD1-CB 3.77Å; L94-C129 WeakPolarHBondContact CD1-O 3.47Å; L94-C130 HydrophobicContact CD1-CB 4.03Å; L94-C130 HydrophobicContact CD2-CB 3.74Å; L94-C130 HydrophobicContact CG-CB 3.86Å; L94-V443 HydrophobicContact CD2-CG1 4.09Å; L94-V443 WeakPolarHBondContact O-CG2 3.45Å; L94-V450 HydrophobicContact CB-CG2 4.39Å; L94-V450 HydrophobicContact CD1-CB 4.48Å; L94-V450 HydrophobicContact CD1-CG2 4.13Å; L94-V450 HydrophobicContact CD2-CG2 3.95Å; L94-V450 HydrophobicContact CG-CG2 4.39Å; L94-L456 HydrophobicContact CB-CD1 4.25Å; L94-V458 HydrophobicContact CD1-CG1 3.52Å |
| 95 | S | 98.4 | Very high | 98.5 | Very high | 20 Ų | 20 | 10.4 Ų | 10.4 | 14% | 0.14 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -56.2 | -39.5 | 171.7 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | K91 A92 G97 E356 N423 P440 | K91-S95 PolarHBondContact O-N 2.58Å; A92-S95 WeakPolarHBondContact O-CB 3.49Å; A92-S95 PolarHBondContact O-N 2.83Å; S95-G97 PolarHBondContact O-N 3.35Å; S95-E356 VanDerWaalsContact CB-OE1 3.29Å; S95-E356 WeakPolarHBondContact CB-OE1 3.23Å; S95-E356 PolarHBondContact OG-OE1 2.89Å; S95-N423 PolarHBondContact OG-ND2 3.46Å; S95-P440 WeakPolarHBondContact O-CG 3.46Å |
| 96 | G | 98.3 | Very high | 98.4 | Very high | 3 Ų | 3 | 8.7 Ų | 8.7 | 3% | 0.031 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 0.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | A92 A93 L94 E356 | A92-G96 PolarHBondContact O-N 3.37Å; A93-G96 CarbonylContact O-C 3.48Å; A93-G96 WeakPolarHBondContact O-CA 3.48Å; A93-G96 PolarHBondContact O-N 3.25Å; A93-G96 VanDerWaalsContact O-N 3.14Å; L94-G96 PolarHBondContact O-N 3.32Å; G96-E356 WeakPolarHBondContact CA-O 3.42Å |
| 97 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 11.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G66 A93 L94 S95 L359 V407 | G66-G97 PolarHBondContact N-O 3.47Å; A93-G97 PolarHBondContact O-N 3.12Å; L94-G97 PolarHBondContact O-N 2.8Å; L94-G97 VanDerWaalsContact O-N 3.13Å; S95-G97 PolarHBondContact O-N 3.35Å; G97-L359 WeakPolarHBondContact O-CD2 3.19Å; G97-V407 VanDerWaalsContact O-CG2 3.27Å; G97-V407 WeakPolarHBondContact O-CG2 3.33Å |
| 98 | T | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 122.1 | 168.8 | -67.1 | 0 | 0 | 0 | 0 | 109.8 | G66 D68 A93 L94 T100 I101 R358 L359 | G66-T98 WeakPolarHBondContact O-CG2 3.48Å; D68-T98 HydrophobicContact CB-CG2 3.77Å; A93-T98 CarbonylContact C-O 3.57Å; A93-T98 HydrophobicContact CB-CG2 4.03Å; A93-T98 WeakPolarHBondContact O-CA 3.45Å; A93-T98 WeakPolarHBondContact O-CB 3.24Å; A93-T98 PolarHBondContact O-N 2.94Å; A93-T98 VanDerWaalsContact O-O 3.11Å; L94-T98 WeakPolarHBondContact CA-O 3.39Å; L94-T98 PolarHBondContact N-O 2.92Å; T98-T100 WeakPolarHBondContact CG2-O 3.18Å; T98-I101 HydrophobicContact CG2-CG2 4.29Å; T98-R358 PolarHBondContact OG1-NH2 3.17Å; T98-L359 VanDerWaalsContact OG1-CD1 3.27Å; T98-L359 WeakPolarHBondContact OG1-CD1 3.48Å |
| 99 | T | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.006 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -3.6 | -176.1 | 62.8 | 0 | 0 | 0 | 0 | 113.3 | G65 G66 L94 C130 D131 D405 V443 | G65-T99 WeakPolarHBondContact CA-OG1 3.31Å; G66-T99 PolarHBondContact O-N 3.42Å; L94-T99 HydrophobicContact CD2-CG2 4.15Å; T99-C130 WeakPolarHBondContact O-CB 3.44Å; T99-D131 PolarHBondContact O-N 3.5Å; T99-D405 HydrophobicContact CG2-CB 4.36Å; T99-D405 WeakPolarHBondContact OG1-CB 3.38Å; T99-V443 HydrophobicContact CG2-CG1 3.81Å |
| 100 | T | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 134.7 | 174.3 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | G66 V67 D68 T98 D131 K395 | G66-T100 PolarHBondContact O-N 3.2Å; V67-T100 CarbonylContact C-O 3.54Å; V67-T100 WeakPolarHBondContact CA-O 3.47Å; V67-T100 HydrophobicContact CG1-CG2 4.36Å; D68-T100 PolarHBondContact N-O 3.33Å; T98-T100 WeakPolarHBondContact CG2-O 3.18Å; T100-D131 WeakPolarHBondContact CA-O 3.38Å; T100-K395 WeakPolarHBondContact OG1-CE 3.4Å |
| 101 | I | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 154.5 | 173.4 | 65.3 | 164.8 | 0 | 0 | 0 | 111.6 | D68 T71 L73 F86 T90 A93 T98 D131 F132 S133 I355 | D68-I101 HydrophobicContact CB-CG2 4.33Å; D68-I101 CarbonylContact O-C 3.54Å; D68-I101 VanDerWaalsContact O-CA 3.3Å; D68-I101 WeakPolarHBondContact O-CA 3.49Å; T71-I101 HydrophobicContact CG2-CB 4.11Å; T71-I101 HydrophobicContact CG2-CG2 4.16Å; L73-I101 HydrophobicContact CD1-CD1 3.64Å; F86-I101 HydrophobicContact CD1-CD1 4.14Å; F86-I101 HydrophobicContact CE1-CD1 4.06Å; T90-I101 HydrophobicContact CG2-CD1 3.6Å; T90-I101 HydrophobicContact CG2-CG1 4.24Å; A93-I101 HydrophobicContact CB-CG2 4.32Å; T98-I101 HydrophobicContact CG2-CG2 4.29Å; I101-D131 PolarHBondContact N-O 2.65Å; I101-D131 VanDerWaalsContact N-O 3.12Å; I101-F132 HydrophobicContact CD1-CB 4.33Å; I101-F132 HydrophobicContact CG1-CB 3.69Å; I101-F132 CarbonylContact O-C 3.48Å; I101-F132 VanDerWaalsContact O-CA 3.23Å; I101-F132 WeakPolarHBondContact O-CA 3.33Å; I101-S133 PolarHBondContact O-N 2.92Å; I101-I355 HydrophobicContact CG2-CD1 4.23Å |
| 102 | I | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 109.3 | 165.2 | -43.1 | 179.2 | 0 | 0 | 0 | 107.9 | D68 A69 T71 S133 H135 F389 M391 | D68-I102 PolarHBondContact O-N 3.43Å; A69-I102 HydrophobicContact CB-CD1 4.17Å; T71-I102 PolarHBondContact N-O 3.02Å; I102-S133 WeakPolarHBondContact CA-O 3.31Å; I102-H135 VanDerWaalsContact CG2-CD2 3.46Å; I102-H135 WeakPolarHBondContact CG2-CD2 3.48Å; I102-H135 VanDerWaalsContact CG2-CE1 3.45Å; I102-H135 WeakPolarHBondContact CG2-CE1 3.16Å; I102-H135 WeakPolarHBondContact CG2-NE2 3.24Å; I102-F389 HydrophobicContact CD1-CB 3.98Å; I102-F389 HydrophobicContact CD1-CD2 3.56Å; I102-F389 HydrophobicContact CD1-CE2 4.24Å; I102-F389 HydrophobicContact CD1-CG 3.81Å; I102-M391 HydrophobicContact CD1-CE 3.77Å; I102-M391 HydrophobicContact CG1-CE 4.3Å |
| 103 | D | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 150.2 | -173.6 | -157.6 | -103 | 0 | 0 | 0 | 111.5 | T71 N72 L73 F86 S133 F134 H135 | T71-D103 WeakPolarHBondContact CB-OD2 3.39Å; T71-D103 CarbonylContact O-C 2.95Å; T71-D103 WeakPolarHBondContact O-CA 3.42Å; T71-D103 VanDerWaalsContact O-OD2 3.09Å; T71-D103 WeakPolarHBondContact OG1-CA 3.32Å; T71-D103 WeakPolarHBondContact OG1-CB 3.31Å; T71-D103 PolarHBondContact OG1-OD2 3.31Å; N72-D103 WeakPolarHBondContact CA-OD2 3.31Å; N72-D103 PolarHBondContact N-OD2 3.35Å; L73-D103 PolarHBondContact N-OD2 3.08Å; F86-D103 HydrophobicContact CE1-CB 3.83Å; F86-D103 HydrophobicContact CZ-CB 3.88Å; F86-D103 WeakPolarHBondContact CZ-OD1 3.2Å; D103-S133 PolarHBondContact N-O 3.34Å; D103-F134 HydrophobicContact CB-CD1 4Å; D103-F134 HydrophobicContact CB-CE1 4.09Å; D103-F134 CarbonylContact O-C 3.57Å; D103-F134 VanDerWaalsContact O-CA 3.31Å; D103-F134 WeakPolarHBondContact O-CA 3.23Å; D103-H135 PolarHBondContact O-N 2.91Å |
| 104 | H | 98.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 114.4 | 178 | -80.1 | -88.1 | 0 | 0 | 0 | 111.4 | N70 T71 N72 L106 W120 H135 D137 | N70-H104 PolarHBondContact OD1-CD2 3.46Å; N70-H104 VanDerWaalsContact OD1-CD2 3.29Å; N70-H104 PolarHBondContact OD1-NE2 2.9Å; T71-H104 PolarHBondContact O-N 2.87Å; N72-H104 WeakPolarHBondContact OD1-CB 3.28Å; H104-L106 PolarHBondContact O-N 3.31Å; H104-W120 PolarHBondContact O-NE1 3.27Å; H104-H135 AromaticContact CE1-CD2 3.75Å; H104-H135 AromaticContact CE1-CG 3.96Å; H104-H135 AromaticContact NE2-CD2 3.56Å; H104-D137 IonicContact CE1-OD1 2.74Å; H104-D137 IonicContact CG-OD1 2.79Å; H104-D137 IonicContact CG-OD2 3.72Å; H104-D137 IonicContact ND1-OD1 2.64Å; H104-D137 PolarHBondContact ND1-OD1 3.16Å; H104-D137 IonicContact ND1-OD2 2.76Å |
| 105 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 95.5 | 171.7 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | V107 A116 W120 F134 H135 L136 D137 | V105-V107 HydrophobicContact CG1-CG2 4.35Å; V105-V107 PolarHBondContact O-N 3.39Å; V105-A116 HydrophobicContact CG1-CB 3.94Å; V105-W120 HydrophobicContact CB-CD2 4.31Å; V105-W120 HydrophobicContact CB-CG 4.26Å; V105-W120 HydrophobicContact CG1-CB 4.32Å; V105-W120 HydrophobicContact CG1-CD2 3.83Å; V105-W120 HydrophobicContact CG1-CE3 3.86Å; V105-W120 HydrophobicContact CG1-CG 4.07Å; V105-W120 HydrophobicContact CG1-CZ3 4.37Å; V105-W120 HydrophobicContact CG2-CB 3.79Å; V105-W120 HydrophobicContact CG2-CD2 4.25Å; V105-W120 HydrophobicContact CG2-CG 3.68Å; V105-F134 HydrophobicContact CG2-CB 3.74Å; V105-F134 HydrophobicContact CG2-CD1 3.76Å; V105-F134 HydrophobicContact CG2-CD2 4.47Å; V105-F134 HydrophobicContact CG2-CG 3.73Å; V105-H135 WeakPolarHBondContact CB-O 3.34Å; V105-H135 WeakPolarHBondContact CG2-O 3.2Å; V105-H135 PolarHBondContact N-O 3.25Å; V105-L136 HydrophobicContact CB-CD1 4.01Å; V105-L136 HydrophobicContact CB-CG 4.04Å; V105-L136 HydrophobicContact CG1-CD1 4.45Å; V105-L136 HydrophobicContact CG1-CG 4.29Å; V105-L136 HydrophobicContact CG2-CD1 4.07Å; V105-D137 PolarHBondContact O-N 3.28Å |
| 106 | L | 96.2 | Very high | 96.1 | Very high | 6 Ų | 6 | 22.1 Ų | 22.1 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 108.1 | 175.9 | -173.7 | 69.4 | 0 | 0 | 0 | 110.7 | A75 P76 H104 E108 W120 D137 T139 F164 Y171 | A75-L106 HydrophobicContact CB-CB 3.79Å; A75-L106 HydrophobicContact CB-CD2 4.4Å; P76-L106 HydrophobicContact CG-CD2 4.39Å; P76-L106 WeakPolarHBondContact O-CD2 3.37Å; H104-L106 PolarHBondContact O-N 3.31Å; L106-E108 PolarHBondContact O-N 2.9Å; L106-W120 WeakPolarHBondContact O-CH2 3.47Å; L106-D137 HydrophobicContact CD1-CB 4.07Å; L106-T139 HydrophobicContact CD1-CG2 3.83Å; L106-F164 HydrophobicContact CD1-CE2 4.32Å; L106-F164 HydrophobicContact CD1-CZ 4.06Å; L106-Y171 HydrophobicContact CD1-CE2 4.34Å |
| 107 | V | 94.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.024 | 15% | 0.152 | C | C | . | . | trans | -88.9 | 109.9 | 179.3 | -169.8 | 0 | 0 | 0 | 0 | 110.1 | V105 L113 A116 T139 | V105-V107 HydrophobicContact CG1-CG2 4.35Å; V105-V107 PolarHBondContact O-N 3.39Å; V107-L113 HydrophobicContact CB-CD2 4.13Å; V107-L113 HydrophobicContact CG1-CD2 4.09Å; V107-L113 HydrophobicContact CG2-CD2 3.79Å; V107-A116 HydrophobicContact CB-CB 4.34Å; V107-A116 HydrophobicContact CG1-CB 4.05Å; V107-A116 HydrophobicContact CG2-CB 3.78Å; V107-T139 WeakPolarHBondContact O-CB 3.41Å; V107-T139 WeakPolarHBondContact O-CG2 3.43Å; V107-T139 PolarHBondContact O-OG1 2.87Å | ||
| 108 | E | 89.8 | Confident | 96.2 | Very high | 67 Ų | 67 | 25.2 Ų | 25.2 | 31% | 0.313 | 17% | 0.169 | S | C | . | . | trans | -64.5 | 141.3 | 177 | -73 | -67.7 | 165.4 | 0 | 0 | 111.7 | L106 G110 T111 R170 | L106-E108 PolarHBondContact O-N 2.9Å; E108-G110 PolarHBondContact O-N 2.78Å; E108-T111 VanDerWaalsContact O-CB 3.28Å; E108-T111 WeakPolarHBondContact O-CB 3.28Å; E108-T111 PolarHBondContact O-N 2.75Å; E108-T111 PolarHBondContact O-OG1 3.39Å; E108-R170 IonicContact OE1-NH2 3.33Å | ||
| 109 | P | 86.1 | Confident | 96.1 | Very high | 63 Ų | 63 | 29.5 Ų | 29.5 | 41% | 0.409 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 126.8 | 180 | -28.4 | 35.6 | 0 | 0 | 0 | 113.1 | ||
| 110 | G | 85.9 | Confident | 96.1 | Very high | 90 Ų | 90 | 30.2 Ų | 30.2 | 93% | 0.928 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | -2.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E108 | E108-G110 PolarHBondContact O-N 2.78Š|
| 111 | T | 92.6 | Very high | 96 | Very high | 67 Ų | 67 | 32.6 Ų | 32.6 | 41% | 0.411 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -92.1 | 144.3 | 172.2 | -49.1 | 0 | 0 | 0 | 0 | 110.6 | E108 A116 | E108-T111 VanDerWaalsContact O-CB 3.28Å; E108-T111 WeakPolarHBondContact O-CB 3.28Å; E108-T111 PolarHBondContact O-N 2.75Å; E108-T111 PolarHBondContact O-OG1 3.39Å; T111-A116 HydrophobicContact CG2-CB 4.48Å |
| 112 | S | 96 | Very high | 96 | Very high | 40 Ų | 40 | 38 Ų | 38 | 28% | 0.28 | 23% | 0.229 | S | C | . | . | trans | -65.1 | 137.2 | 171.6 | 154.3 | 0 | 0 | 0 | 0 | 110.9 | L114 S115 A116 E148 | S112-L114 PolarHBondContact O-N 2.83Å; S112-L114 PolarHBondContact OG-N 3.39Å; S112-S115 PolarHBondContact O-N 3.02Å; S112-S115 PolarHBondContact OG-N 2.84Å; S112-A116 PolarHBondContact O-N 2.94Å; S112-A116 VanDerWaalsContact O-N 3.1Å; S112-E148 VanDerWaalsContact CB-OE1 3.26Å; S112-E148 WeakPolarHBondContact CB-OE1 3.37Å; S112-E148 PolarHBondContact OG-OE1 2.59Å | ||
| 113 | L | 97.4 | Very high | 96 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -38.5 | 175.5 | -62 | 177.4 | 0 | 0 | 0 | 111.1 | V107 F117 L136 L145 E148 L149 L152 | V107-L113 HydrophobicContact CB-CD2 4.13Å; V107-L113 HydrophobicContact CG1-CD2 4.09Å; V107-L113 HydrophobicContact CG2-CD2 3.79Å; L113-F117 WeakPolarHBondContact O-CB 3.39Å; L113-F117 PolarHBondContact O-N 3.34Å; L113-L136 HydrophobicContact CB-CD2 4.02Å; L113-L136 HydrophobicContact CD2-CD2 4.48Å; L113-L145 HydrophobicContact CD1-CB 4.31Å; L113-L145 HydrophobicContact CD1-CD1 4.38Å; L113-L145 HydrophobicContact CD1-CD2 4.31Å; L113-L145 HydrophobicContact CG-CD2 4.34Å; L113-E148 HydrophobicContact CB-CB 4.21Å; L113-E148 HydrophobicContact CD1-CB 4.08Å; L113-E148 HydrophobicContact CG-CB 4.5Å; L113-E148 PolarHBondContact N-OE1 2.94Å; L113-E148 PolarHBondContact N-OE2 3.16Å; L113-L149 HydrophobicContact CD1-CD2 3.82Å; L113-L149 HydrophobicContact CD1-CG 4.17Å; L113-L152 HydrophobicContact CB-CD1 3.67Å; L113-L152 HydrophobicContact CD1-CD1 4.17Å |
| 114 | L | 98.2 | Very high | 95.9 | Very high | 38 Ų | 38 | 39.6 Ų | 39.6 | 20% | 0.199 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.1 | -42.7 | 179.6 | -68.3 | 169.5 | 0 | 0 | 0 | 112.2 | S112 F117 D118 E148 T151 L152 K156 | S112-L114 PolarHBondContact O-N 2.83Å; S112-L114 PolarHBondContact OG-N 3.39Å; L114-F117 PolarHBondContact O-N 2.74Å; L114-D118 PolarHBondContact O-N 3.4Å; L114-E148 HydrophobicContact CD1-CB 4.43Å; L114-E148 HydrophobicContact CD1-CG 4.14Å; L114-E148 HydrophobicContact CG-CB 4.29Å; L114-E148 HydrophobicContact CG-CG 4.33Å; L114-E148 PolarHBondContact N-OE1 3.3Å; L114-T151 HydrophobicContact CD1-CG2 4.26Å; L114-T151 HydrophobicContact CD2-CG2 3.77Å; L114-L152 HydrophobicContact CD2-CD1 4.45Å; L114-L152 HydrophobicContact CD2-CD2 3.94Å; L114-L152 HydrophobicContact CD2-CG 3.73Å; L114-K156 HydrophobicContact CD2-CG 4.35Å |
| 115 | S | 97.8 | Very high | 95.9 | Very high | 71 Ų | 71 | 43.4 Ų | 43.4 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 178.6 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | S112 D118 L119 | S112-S115 PolarHBondContact O-N 3.02Å; S112-S115 PolarHBondContact OG-N 2.84Å; S115-D118 PolarHBondContact O-N 3.34Å; S115-L119 WeakPolarHBondContact O-CB 3.39Å; S115-L119 PolarHBondContact O-N 2.96Å; S115-L119 VanDerWaalsContact O-N 3.07Å |
| 116 | A | 97.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V105 V107 T111 S112 D118 L119 W120 | V105-A116 HydrophobicContact CG1-CB 3.94Å; V107-A116 HydrophobicContact CB-CB 4.34Å; V107-A116 HydrophobicContact CG1-CB 4.05Å; V107-A116 HydrophobicContact CG2-CB 3.78Å; T111-A116 HydrophobicContact CG2-CB 4.48Å; S112-A116 PolarHBondContact O-N 2.94Å; S112-A116 VanDerWaalsContact O-N 3.1Å; A116-D118 PolarHBondContact O-N 2.83Å; A116-L119 PolarHBondContact O-N 3.05Å; A116-W120 PolarHBondContact O-N 2.96Å |
| 117 | F | 98.6 | Very high | 96 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.009 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.8 | -48.5 | 174.8 | 170.4 | -89.3 | 0 | 0 | 0 | 112.3 | L113 L114 L119 W120 K121 F134 L136 L152 K156 V158 F465 | L113-F117 WeakPolarHBondContact O-CB 3.39Å; L113-F117 PolarHBondContact O-N 3.34Å; L114-F117 PolarHBondContact O-N 2.74Å; F117-L119 VanDerWaalsContact C-N 3.33Å; F117-L119 PolarHBondContact O-N 3.4Å; F117-W120 PolarHBondContact O-N 2.88Å; F117-K121 HydrophobicContact CE1-CB 4.38Å; F117-K121 HydrophobicContact CE1-CD 3.76Å; F117-K121 HydrophobicContact CZ-CD 3.82Å; F117-K121 VanDerWaalsContact O-CB 3.29Å; F117-K121 WeakPolarHBondContact O-CB 3.45Å; F117-K121 PolarHBondContact O-N 3.48Å; F117-F134 HydrophobicContact CD2-CD2 4.12Å; F117-F134 AromaticContact CE2-CD2 3.79Å; F117-F134 HydrophobicContact CE2-CD2 3.79Å; F117-L136 HydrophobicContact CB-CD1 4.33Å; F117-L136 HydrophobicContact CB-CD2 4.49Å; F117-L136 HydrophobicContact CD2-CD1 3.94Å; F117-L152 HydrophobicContact CB-CD2 3.85Å; F117-L152 HydrophobicContact CD1-CD2 4.42Å; F117-L152 HydrophobicContact CD2-CD2 4.1Å; F117-L152 HydrophobicContact CG-CD2 3.85Å; F117-K156 HydrophobicContact CD1-CB 4.36Å; F117-K156 HydrophobicContact CD1-CD 4.16Å; F117-K156 HydrophobicContact CD1-CG 4.33Å; F117-K156 HydrophobicContact CE1-CB 3.84Å; F117-K156 HydrophobicContact CE1-CD 3.74Å; F117-K156 HydrophobicContact CE1-CG 4.09Å; F117-K156 HydrophobicContact CE2-CB 4.41Å; F117-K156 HydrophobicContact CZ-CB 3.85Å; F117-V158 HydrophobicContact CD2-CG2 3.78Å; F117-V158 HydrophobicContact CE2-CG2 3.5Å; F117-V158 VanDerWaalsContact CE2-CG2 3.5Å; F117-V158 HydrophobicContact CZ-CG2 4.45Å; F117-F465 HydrophobicContact CE2-CE2 4.21Å; F117-F465 AromaticContact CE2-CZ 3.94Å; F117-F465 HydrophobicContact CE2-CZ 3.94Å; F117-F465 HydrophobicContact CZ-CE1 4.25Å; F117-F465 HydrophobicContact CZ-CE2 4.33Å; F117-F465 AromaticContact CZ-CZ 3.82Å; F117-F465 HydrophobicContact CZ-CZ 3.82Å |
| 118 | D | 98.4 | Very high | 96.2 | Very high | 66 Ų | 66 | 52 Ų | 52 | 35% | 0.353 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | -176.8 | -76 | -25.8 | 0 | 0 | 0 | 111.4 | L114 S115 A116 K121 E122 K156 | L114-D118 PolarHBondContact O-N 3.4Å; S115-D118 PolarHBondContact O-N 3.34Å; A116-D118 PolarHBondContact O-N 2.83Å; D118-K121 PolarHBondContact O-N 3.12Å; D118-E122 WeakPolarHBondContact O-CB 3.44Å; D118-E122 PolarHBondContact O-N 3.1Å; D118-K156 VanDerWaalsContact CG-NZ 3.31Å; D118-K156 IonicContact OD1-NZ 2.67Å; D118-K156 PolarHBondContact OD1-NZ 3.22Å; D118-K156 IonicContact OD2-NZ 2.8Å; D118-K156 PolarHBondContact OD2-NZ 3.37Å |
| 119 | L | 97.8 | Very high | 96.6 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 174.5 | 176.7 | 64.9 | 0 | 0 | 0 | 112.5 | S115 A116 F117 K121 E122 T123 | S115-L119 WeakPolarHBondContact O-CB 3.39Å; S115-L119 PolarHBondContact O-N 2.96Å; S115-L119 VanDerWaalsContact O-N 3.07Å; A116-L119 PolarHBondContact O-N 3.05Å; F117-L119 VanDerWaalsContact C-N 3.33Å; F117-L119 PolarHBondContact O-N 3.4Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-E122 PolarHBondContact O-N 3.06Å; L119-T123 PolarHBondContact O-N 2.87Å; L119-T123 VanDerWaalsContact O-N 3.07Å; L119-T123 PolarHBondContact O-OG1 2.99Å |
| 120 | W | 98.4 | Very high | 97.2 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 6% | 0.064 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 177.4 | -107.2 | -106.4 | 0 | 0 | 0 | 111.3 | Q74 A75 F86 H104 V105 L106 A116 F117 T123 A124 F134 | Q74-W120 HydrophobicContact CB-CZ2 4.27Å; Q74-W120 HydrophobicContact CG-CD2 4.46Å; Q74-W120 HydrophobicContact CG-CZ2 4.06Å; A75-W120 HydrophobicContact CB-CZ2 4.37Å; F86-W120 AromaticContact CZ-CD1 3.95Å; H104-W120 PolarHBondContact O-NE1 3.27Å; V105-W120 HydrophobicContact CB-CD2 4.31Å; V105-W120 HydrophobicContact CB-CG 4.26Å; V105-W120 HydrophobicContact CG1-CB 4.32Å; V105-W120 HydrophobicContact CG1-CD2 3.83Å; V105-W120 HydrophobicContact CG1-CE3 3.86Å; V105-W120 HydrophobicContact CG1-CG 4.07Å; V105-W120 HydrophobicContact CG1-CZ3 4.37Å; V105-W120 HydrophobicContact CG2-CB 3.79Å; V105-W120 HydrophobicContact CG2-CD2 4.25Å; V105-W120 HydrophobicContact CG2-CG 3.68Å; L106-W120 WeakPolarHBondContact O-CH2 3.47Å; A116-W120 PolarHBondContact O-N 2.96Å; F117-W120 PolarHBondContact O-N 2.88Å; W120-T123 PolarHBondContact O-N 2.55Å; W120-A124 WeakPolarHBondContact O-CB 3.4Å; W120-A124 PolarHBondContact O-N 2.95Å; W120-F134 HydrophobicContact CB-CE1 4.29Å; W120-F134 HydrophobicContact CB-CZ 4.17Å |
| 121 | K | 98.4 | Very high | 97.9 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 21% | 0.213 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 178.8 | -174.9 | 176 | 174.1 | -69.2 | 0 | 111.6 | F117 D118 L119 T123 A124 E125 F134 F465 | F117-K121 HydrophobicContact CE1-CB 4.38Å; F117-K121 HydrophobicContact CE1-CD 3.76Å; F117-K121 HydrophobicContact CZ-CD 3.82Å; F117-K121 VanDerWaalsContact O-CB 3.29Å; F117-K121 WeakPolarHBondContact O-CB 3.45Å; F117-K121 PolarHBondContact O-N 3.48Å; D118-K121 PolarHBondContact O-N 3.12Å; L119-K121 VanDerWaalsContact C-N 3.34Å; K121-T123 VanDerWaalsContact C-N 3.31Å; K121-T123 PolarHBondContact O-N 3.4Å; K121-A124 PolarHBondContact O-N 3.37Å; K121-E125 WeakPolarHBondContact CE-OE1 3.36Å; K121-E125 HydrophobicContact CG-CG 4.27Å; K121-E125 IonicContact NZ-OE1 3.91Å; K121-E125 PolarHBondContact NZ-OE1 3.16Å; K121-E125 IonicContact NZ-OE2 2.64Å; K121-E125 PolarHBondContact NZ-OE2 2.87Å; K121-E125 WeakPolarHBondContact O-CB 3.33Å; K121-E125 VanDerWaalsContact O-CG 3.29Å; K121-E125 WeakPolarHBondContact O-CG 3.49Å; K121-E125 PolarHBondContact O-N 3.37Å; K121-F134 HydrophobicContact CB-CE2 3.81Å; K121-F134 HydrophobicContact CG-CE2 4.27Å; K121-F465 HydrophobicContact CD-CD1 4.41Å; K121-F465 HydrophobicContact CD-CG 4.42Å |
| 122 | E | 98.2 | Very high | 98.2 | Very high | 113 Ų | 113 | 38.5 Ų | 38.5 | 53% | 0.528 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58 | -45.9 | 176.4 | -179.1 | 177.6 | -178 | 0 | 0 | 111.4 | D118 L119 Q126 | D118-E122 WeakPolarHBondContact O-CB 3.44Å; D118-E122 PolarHBondContact O-N 3.1Å; L119-E122 PolarHBondContact O-N 3.06Å; E122-Q126 WeakPolarHBondContact O-CG 3.43Å; E122-Q126 PolarHBondContact O-N 3.36Å |
| 123 | T | 98 | Very high | 98.3 | Very high | 34 Ų | 34 | 36.6 Ų | 36.6 | 21% | 0.209 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | -179.6 | -51.4 | 0 | 0 | 0 | 0 | 111.4 | Q74 F86 L119 W120 K121 Q126 R127 | Q74-T123 VanDerWaalsContact OE1-CB 3.26Å; F86-T123 HydrophobicContact CD2-CG2 4.27Å; L119-T123 PolarHBondContact O-N 2.87Å; L119-T123 VanDerWaalsContact O-N 3.07Å; L119-T123 PolarHBondContact O-OG1 2.99Å; W120-T123 PolarHBondContact O-N 2.55Å; K121-T123 VanDerWaalsContact C-N 3.31Å; K121-T123 PolarHBondContact O-N 3.4Å; T123-Q126 PolarHBondContact O-N 2.97Å; T123-R127 WeakPolarHBondContact O-CB 3.39Å; T123-R127 WeakPolarHBondContact O-CG 3.32Å; T123-R127 PolarHBondContact O-N 3.38Å |
| 124 | A | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.4 | -38.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F86 W120 K121 Q126 R127 A128 F132 F134 | F86-A124 HydrophobicContact CD1-CB 3.88Å; F86-A124 HydrophobicContact CD2-CB 3.99Å; F86-A124 HydrophobicContact CE1-CB 3.89Å; F86-A124 HydrophobicContact CE2-CB 3.98Å; F86-A124 HydrophobicContact CG-CB 3.95Å; F86-A124 HydrophobicContact CZ-CB 3.95Å; W120-A124 WeakPolarHBondContact O-CB 3.4Å; W120-A124 PolarHBondContact O-N 2.95Å; K121-A124 PolarHBondContact O-N 3.37Å; A124-Q126 PolarHBondContact O-N 3.44Å; A124-R127 PolarHBondContact O-N 2.87Å; A124-R127 VanDerWaalsContact O-N 3.12Å; A124-A128 WeakPolarHBondContact O-CB 3.41Å; A124-A128 PolarHBondContact O-N 3.26Å; A124-F132 HydrophobicContact CB-CD1 4.34Å; A124-F132 HydrophobicContact CB-CD2 3.77Å; A124-F132 HydrophobicContact CB-CE1 3.97Å; A124-F132 HydrophobicContact CB-CE2 3.35Å; A124-F132 HydrophobicContact CB-CG 4.26Å; A124-F132 HydrophobicContact CB-CZ 3.45Å; A124-F132 VanDerWaalsContact CB-CZ 3.45Å; A124-F134 HydrophobicContact CB-CE1 4.37Å; A124-F134 HydrophobicContact CB-CZ 3.75Å |
| 125 | E | 98.3 | Very high | 98.4 | Very high | 83 Ų | 83 | 34.5 Ų | 34.5 | 39% | 0.388 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.9 | -30.5 | 176.3 | -76.1 | -176.6 | 143.1 | 0 | 0 | 112.4 | K121 F132 G461 | K121-E125 WeakPolarHBondContact CE-OE1 3.36Å; K121-E125 HydrophobicContact CG-CG 4.27Å; K121-E125 IonicContact NZ-OE1 3.91Å; K121-E125 PolarHBondContact NZ-OE1 3.16Å; K121-E125 IonicContact NZ-OE2 2.64Å; K121-E125 PolarHBondContact NZ-OE2 2.87Å; K121-E125 WeakPolarHBondContact O-CB 3.33Å; K121-E125 VanDerWaalsContact O-CG 3.29Å; K121-E125 WeakPolarHBondContact O-CG 3.49Å; K121-E125 PolarHBondContact O-N 3.37Å; E125-F132 HydrophobicContact CB-CZ 4.48Å; E125-F132 HydrophobicContact CG-CZ 3.76Å; E125-G461 WeakPolarHBondContact O-CA 3.05Å |
| 126 | Q | 98.1 | Very high | 98.4 | Very high | 117 Ų | 117 | 31.1 Ų | 31.1 | 55% | 0.547 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -79.3 | -26 | 177 | -69.8 | 175.1 | 13.8 | 0 | 0 | 113 | E122 T123 A124 E460 G461 | E122-Q126 WeakPolarHBondContact O-CG 3.43Å; E122-Q126 PolarHBondContact O-N 3.36Å; T123-Q126 PolarHBondContact O-N 2.97Å; A124-Q126 PolarHBondContact O-N 3.44Å; Q126-E460 WeakPolarHBondContact O-CG 3.42Å; Q126-G461 WeakPolarHBondContact O-CA 3.39Å; Q126-G461 PolarHBondContact O-N 3.1Å |
| 127 | R | 98.4 | Very high | 98.4 | Very high | 74 Ų | 74 | 31 Ų | 31 | 28% | 0.279 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -122.9 | -31.5 | -162.6 | -57.5 | -161 | 76.1 | -163.9 | -9.2 | 115.6 | D85 F86 Y87 T123 A124 E460 | D85-R127 VanDerWaalsContact CG-CZ 3.41Å; D85-R127 VanDerWaalsContact CG-NH2 3.27Å; D85-R127 IonicContact OD1-CZ 2.93Å; D85-R127 IonicContact OD1-NH1 3.88Å; D85-R127 IonicContact OD1-NH2 2.62Å; D85-R127 PolarHBondContact OD1-NH2 2.78Å; D85-R127 IonicContact OD2-CZ 3.5Å; D85-R127 IonicContact OD2-NH1 3.86Å; D85-R127 PolarHBondContact OD2-NH1 2.68Å; D85-R127 IonicContact OD2-NH2 3.69Å; D85-R127 PolarHBondContact OD2-NH2 2.74Å; F86-R127 HydrophobicContact CB-CB 3.92Å; Y87-R127 WeakPolarHBondContact CA-O 3.49Å; T123-R127 WeakPolarHBondContact O-CB 3.39Å; T123-R127 WeakPolarHBondContact O-CG 3.32Å; T123-R127 PolarHBondContact O-N 3.38Å; A124-R127 PolarHBondContact O-N 2.87Å; A124-R127 VanDerWaalsContact O-N 3.12Å; R127-E460 HydrophobicContact CB-CG 4.42Å; R127-E460 IonicContact CZ-OE1 3.74Å; R127-E460 IonicContact NE-OE1 2.68Å; R127-E460 PolarHBondContact NE-OE1 3.26Å; R127-E460 IonicContact NH2-OE1 3.35Å |
| 128 | A | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -64.3 | 136.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T90 A124 F132 G461 S462 G463 | T90-A128 HydrophobicContact CG2-CB 4.1Å; A124-A128 WeakPolarHBondContact O-CB 3.41Å; A124-A128 PolarHBondContact O-N 3.26Å; A128-F132 HydrophobicContact CB-CD1 3.57Å; A128-F132 HydrophobicContact CB-CE1 3.85Å; A128-F132 HydrophobicContact CB-CG 4.45Å; A128-G461 CarbonylContact O-C 3.6Å; A128-G461 VanDerWaalsContact O-CA 3.3Å; A128-G461 WeakPolarHBondContact O-CA 3.38Å; A128-G461 PolarHBondContact O-N 2.99Å; A128-G461 VanDerWaalsContact O-N 3.13Å; A128-S462 PolarHBondContact O-N 3.37Å; A128-S462 VanDerWaalsContact O-N 3.12Å; A128-G463 PolarHBondContact O-N 3.07Å | ||
| 129 | C | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -93.5 | -15 | 176.7 | -61 | 0 | 0 | 0 | 0 | 113.2 | Y87 T90 L94 V458 S462 | Y87-C129 WeakPolarHBondContact CD2-SG 3.43Å; T90-C129 WeakPolarHBondContact OG1-CB 3.49Å; T90-C129 PolarHBondContact OG1-N 3.2Å; L94-C129 HydrophobicContact CD1-CB 3.77Å; L94-C129 WeakPolarHBondContact CD1-O 3.47Å; C129-V458 HydrophobicContact CB-CB 3.99Å; C129-V458 HydrophobicContact CB-CG1 4.2Å; C129-V458 HydrophobicContact CB-CG2 4.5Å; C129-S462 PolarHBondContact O-OG 2.9Å |
| 130 | C | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -131 | 164.7 | 177.4 | 72.5 | 0 | 0 | 0 | 0 | 110.8 | L94 T99 G463 | L94-C130 HydrophobicContact CD1-CB 4.03Å; L94-C130 HydrophobicContact CD2-CB 3.74Å; L94-C130 HydrophobicContact CG-CB 3.86Å; T99-C130 WeakPolarHBondContact O-CB 3.44Å; C130-G463 VanDerWaalsContact C-CA 3.47Å; C130-G463 WeakPolarHBondContact O-CA 3.33Å |
| 131 | D | 98.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 146.2 | -179.2 | -78.2 | -9.9 | 0 | 0 | 0 | 110.7 | T99 T100 I101 K395 R464 I466 | T99-D131 PolarHBondContact O-N 3.5Å; T100-D131 WeakPolarHBondContact CA-O 3.38Å; I101-D131 PolarHBondContact N-O 2.65Å; I101-D131 VanDerWaalsContact N-O 3.12Å; D131-K395 IonicContact OD2-NZ 3.3Å; D131-K395 PolarHBondContact OD2-NZ 3.27Å; D131-R464 WeakPolarHBondContact CA-O 3.46Å; D131-R464 VanDerWaalsContact OD1-CB 3.27Å; D131-R464 WeakPolarHBondContact OD1-CB 3.4Å; D131-R464 IonicContact OD1-CZ 3.16Å; D131-R464 PolarHBondContact OD1-N 3.21Å; D131-R464 IonicContact OD1-NE 3.18Å; D131-R464 PolarHBondContact OD1-NE 3.06Å; D131-R464 IonicContact OD1-NH2 2.85Å; D131-R464 IonicContact OD2-CZ 3.46Å; D131-R464 IonicContact OD2-NE 3Å; D131-R464 IonicContact OD2-NH2 3.53Å; D131-R464 PolarHBondContact OD2-NH2 3.19Å; D131-I466 HydrophobicContact CB-CD1 3.99Å; D131-I466 HydrophobicContact CB-CG1 3.88Å |
| 132 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 159.7 | -174.8 | 64.1 | -87.9 | 0 | 0 | 0 | 112.5 | I101 A124 E125 A128 F134 R464 F465 I466 | I101-F132 HydrophobicContact CD1-CB 4.33Å; I101-F132 HydrophobicContact CG1-CB 3.69Å; I101-F132 CarbonylContact O-C 3.48Å; I101-F132 VanDerWaalsContact O-CA 3.23Å; I101-F132 WeakPolarHBondContact O-CA 3.33Å; A124-F132 HydrophobicContact CB-CD1 4.34Å; A124-F132 HydrophobicContact CB-CD2 3.77Å; A124-F132 HydrophobicContact CB-CE1 3.97Å; A124-F132 HydrophobicContact CB-CE2 3.35Å; A124-F132 HydrophobicContact CB-CG 4.26Å; A124-F132 HydrophobicContact CB-CZ 3.45Å; A124-F132 VanDerWaalsContact CB-CZ 3.45Å; E125-F132 HydrophobicContact CB-CZ 4.48Å; E125-F132 HydrophobicContact CG-CZ 3.76Å; A128-F132 HydrophobicContact CB-CD1 3.57Å; A128-F132 HydrophobicContact CB-CE1 3.85Å; A128-F132 HydrophobicContact CB-CG 4.45Å; F132-F134 AromaticContact CD2-CE1 3.99Å; F132-F134 HydrophobicContact CD2-CE1 3.99Å; F132-F134 AromaticContact CD2-CE2 3.95Å; F132-F134 HydrophobicContact CD2-CE2 3.95Å; F132-F134 AromaticContact CD2-CZ 3.52Å; F132-F134 HydrophobicContact CD2-CZ 3.52Å; F132-F134 HydrophobicContact CE2-CE1 4.35Å; F132-F134 AromaticContact CE2-CE2 3.67Å; F132-F134 HydrophobicContact CE2-CE2 3.67Å; F132-F134 AromaticContact CE2-CZ 3.44Å; F132-F134 HydrophobicContact CE2-CZ 3.44Å; F132-F134 VanDerWaalsContact CE2-CZ 3.44Å; F132-R464 PolarHBondContact N-O 3.35Å; F132-F465 HydrophobicContact CD2-CD2 4.1Å; F132-F465 HydrophobicContact CE2-CB 3.91Å; F132-F465 AromaticContact CE2-CD2 3.83Å; F132-F465 HydrophobicContact CE2-CD2 3.83Å; F132-F465 HydrophobicContact CE2-CG 4.35Å; F132-F465 HydrophobicContact CZ-CB 3.95Å; F132-F465 CarbonylContact O-C 3.5Å; F132-F465 WeakPolarHBondContact O-CA 3.26Å; F132-I466 PolarHBondContact O-N 3.31Å |
| 133 | S | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | -176.5 | 168.3 | -158.7 | 0 | 0 | 0 | 0 | 110 | I101 I102 D103 I466 R468 | I101-S133 PolarHBondContact O-N 2.92Å; I102-S133 WeakPolarHBondContact CA-O 3.31Å; D103-S133 PolarHBondContact N-O 3.34Å; S133-I466 WeakPolarHBondContact CB-O 3.4Å; S133-I466 PolarHBondContact OG-O 3.48Å; S133-R468 VanDerWaalsContact OG-CD 3.31Å; S133-R468 WeakPolarHBondContact OG-CD 3.21Å; S133-R468 PolarHBondContact OG-NE 3.36Å |
| 134 | F | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 134.1 | -173.7 | -63.4 | -53.8 | 0 | 0 | 0 | 114.5 | F86 D103 V105 F117 W120 K121 A124 F132 L136 F465 R468 | F86-F134 HydrophobicContact CE1-CE1 4.29Å; F86-F134 AromaticContact CZ-CE1 3.89Å; F86-F134 HydrophobicContact CZ-CE1 3.89Å; D103-F134 HydrophobicContact CB-CD1 4Å; D103-F134 HydrophobicContact CB-CE1 4.09Å; D103-F134 CarbonylContact O-C 3.57Å; D103-F134 VanDerWaalsContact O-CA 3.31Å; D103-F134 WeakPolarHBondContact O-CA 3.23Å; V105-F134 HydrophobicContact CG2-CB 3.74Å; V105-F134 HydrophobicContact CG2-CD1 3.76Å; V105-F134 HydrophobicContact CG2-CD2 4.47Å; V105-F134 HydrophobicContact CG2-CG 3.73Å; F117-F134 HydrophobicContact CD2-CD2 4.12Å; F117-F134 AromaticContact CE2-CD2 3.79Å; F117-F134 HydrophobicContact CE2-CD2 3.79Å; W120-F134 HydrophobicContact CB-CE1 4.29Å; W120-F134 HydrophobicContact CB-CZ 4.17Å; K121-F134 HydrophobicContact CB-CE2 3.81Å; K121-F134 HydrophobicContact CG-CE2 4.27Å; A124-F134 HydrophobicContact CB-CE1 4.37Å; A124-F134 HydrophobicContact CB-CZ 3.75Å; F132-F134 AromaticContact CD2-CE1 3.99Å; F132-F134 HydrophobicContact CD2-CE1 3.99Å; F132-F134 AromaticContact CD2-CE2 3.95Å; F132-F134 HydrophobicContact CD2-CE2 3.95Å; F132-F134 AromaticContact CD2-CZ 3.52Å; F132-F134 HydrophobicContact CD2-CZ 3.52Å; F132-F134 HydrophobicContact CE2-CE1 4.35Å; F132-F134 AromaticContact CE2-CE2 3.67Å; F132-F134 HydrophobicContact CE2-CE2 3.67Å; F132-F134 AromaticContact CE2-CZ 3.44Å; F132-F134 HydrophobicContact CE2-CZ 3.44Å; F132-F134 VanDerWaalsContact CE2-CZ 3.44Å; F134-L136 HydrophobicContact CB-CD1 4.5Å; F134-F465 HydrophobicContact CD2-CD2 4.03Å; F134-F465 AromaticContact CD2-CE2 3.58Å; F134-F465 HydrophobicContact CD2-CE2 3.58Å; F134-F465 AromaticContact CE2-CD2 3.96Å; F134-F465 HydrophobicContact CE2-CD2 3.96Å; F134-F465 HydrophobicContact CE2-CE2 4Å; F134-F465 HydrophobicContact CG-CE2 4.45Å; F134-R468 PolarHBondContact O-NH2 2.61Å |
| 135 | H | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 150.3 | 154.2 | -57.2 | -55.6 | 0 | 0 | 0 | 109 | A69 I102 D103 H104 V105 S160 Q193 F389 | A69-H135 PolarHBondContact O-CD2 3.04Å; A69-H135 PolarHBondContact O-NE2 3.14Å; I102-H135 VanDerWaalsContact CG2-CD2 3.46Å; I102-H135 WeakPolarHBondContact CG2-CD2 3.48Å; I102-H135 VanDerWaalsContact CG2-CE1 3.45Å; I102-H135 WeakPolarHBondContact CG2-CE1 3.16Å; I102-H135 WeakPolarHBondContact CG2-NE2 3.24Å; D103-H135 PolarHBondContact O-N 2.91Å; H104-H135 AromaticContact CE1-CD2 3.75Å; H104-H135 AromaticContact CE1-CG 3.96Å; H104-H135 AromaticContact NE2-CD2 3.56Å; V105-H135 WeakPolarHBondContact CB-O 3.34Å; V105-H135 WeakPolarHBondContact CG2-O 3.2Å; V105-H135 PolarHBondContact N-O 3.25Å; H135-S160 WeakPolarHBondContact ND1-CB 3.46Å; H135-S160 PolarHBondContact ND1-OG 3.38Å; H135-Q193 PolarHBondContact CE1-NE2 2.88Å; H135-Q193 PolarHBondContact ND1-NE2 2.82Å; H135-Q193 VanDerWaalsContact ND1-NE2 3.19Å; H135-Q193 PolarHBondContact ND1-OE1 2.88Å; H135-Q193 PolarHBondContact NE2-NE2 3.13Å; H135-F389 AromaticContact CE1-CD1 3.82Å; H135-F389 AromaticContact CE1-CE1 3.43Å; H135-F389 VanDerWaalsContact CE1-CE1 3.43Å; H135-F389 WeakPolarHBondContact CE1-CE1 3.36Å; H135-F389 AromaticContact CE1-CZ 3.61Å |
| 136 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.5 | 171.2 | -101.4 | 77.8 | 0 | 0 | 0 | 110.7 | V105 L113 F117 F134 L152 V158 S160 F161 L162 | V105-L136 HydrophobicContact CB-CD1 4.01Å; V105-L136 HydrophobicContact CB-CG 4.04Å; V105-L136 HydrophobicContact CG1-CD1 4.45Å; V105-L136 HydrophobicContact CG1-CG 4.29Å; V105-L136 HydrophobicContact CG2-CD1 4.07Å; L113-L136 HydrophobicContact CB-CD2 4.02Å; L113-L136 HydrophobicContact CD2-CD2 4.48Å; F117-L136 HydrophobicContact CB-CD1 4.33Å; F117-L136 HydrophobicContact CB-CD2 4.49Å; F117-L136 HydrophobicContact CD2-CD1 3.94Å; F134-L136 HydrophobicContact CB-CD1 4.5Å; L136-L152 HydrophobicContact CD1-CD2 4.49Å; L136-L152 HydrophobicContact CD2-CD1 3.44Å; L136-L152 VanDerWaalsContact CD2-CD1 3.44Å; L136-L152 HydrophobicContact CD2-CD2 3.86Å; L136-L152 HydrophobicContact CD2-CG 4.28Å; L136-V158 HydrophobicContact CD1-CG1 4.05Å; L136-V158 HydrophobicContact CD1-CG2 4.14Å; L136-S160 PolarHBondContact N-O 3.39Å; L136-F161 HydrophobicContact CB-CD1 3.63Å; L136-F161 HydrophobicContact CB-CE1 3.85Å; L136-F161 HydrophobicContact CD2-CE1 4.38Å; L136-F161 CarbonylContact O-C 3.41Å; L136-F161 WeakPolarHBondContact O-CA 3.49Å; L136-L162 PolarHBondContact O-N 3.45Å |
| 137 | D | 98 | Very high | 96.1 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 110.3 | -177.5 | -64.9 | 3.6 | 0 | 0 | 0 | 109.6 | H104 V105 L106 T139 L162 F164 | H104-D137 IonicContact CE1-OD1 2.74Å; H104-D137 IonicContact CG-OD1 2.79Å; H104-D137 IonicContact CG-OD2 3.72Å; H104-D137 IonicContact ND1-OD1 2.64Å; H104-D137 PolarHBondContact ND1-OD1 3.16Å; H104-D137 IonicContact ND1-OD2 2.76Å; V105-D137 PolarHBondContact O-N 3.28Å; L106-D137 HydrophobicContact CD1-CB 4.07Å; D137-T139 PolarHBondContact O-N 2.9Å; D137-L162 HydrophobicContact CB-CB 4.36Å; D137-L162 HydrophobicContact CB-CD2 4.46Å; D137-L162 VanDerWaalsContact OD1-CB 3.24Å; D137-L162 WeakPolarHBondContact OD1-CB 3.25Å; D137-F164 HydrophobicContact CB-CE2 3.89Å; D137-F164 HydrophobicContact CB-CZ 4.05Å |
| 138 | V | 96.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 92.9 | -178.3 | -178 | 0 | 0 | 0 | 0 | 108.5 | W141 L145 F161 L162 F163 | V138-W141 HydrophobicContact CG1-CB 4.44Å; V138-W141 HydrophobicContact CG1-CE3 4.28Å; V138-L145 HydrophobicContact CG1-CD1 4.24Å; V138-F161 HydrophobicContact CG2-CB 4.34Å; V138-F161 HydrophobicContact CG2-CD1 4.26Å; V138-L162 PolarHBondContact N-O 3.25Å; V138-F163 HydrophobicContact CB-CD1 4.02Å; V138-F163 HydrophobicContact CB-CE1 3.66Å; V138-F163 HydrophobicContact CB-CZ 4Å; V138-F163 HydrophobicContact CG1-CD1 4.2Å; V138-F163 HydrophobicContact CG1-CE1 3.64Å; V138-F163 HydrophobicContact CG1-CZ 4.26Å; V138-F163 HydrophobicContact CG2-CE1 4.19Å; V138-F163 HydrophobicContact CG2-CZ 4.01Å |
| 139 | T | 94.4 | Very high | 96.1 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -74.4 | -22.9 | -178.3 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | L106 V107 D137 F164 Y171 | L106-T139 HydrophobicContact CD1-CG2 3.83Å; V107-T139 WeakPolarHBondContact O-CB 3.41Å; V107-T139 WeakPolarHBondContact O-CG2 3.43Å; V107-T139 PolarHBondContact O-OG1 2.87Å; D137-T139 PolarHBondContact O-N 2.9Å; T139-F164 HydrophobicContact CG2-CE2 4.2Å; T139-Y171 HydrophobicContact CG2-CD1 3.44Å; T139-Y171 VanDerWaalsContact CG2-CD1 3.44Å; T139-Y171 HydrophobicContact CG2-CE1 3.64Å; T139-Y171 HydrophobicContact CG2-CG 3.97Å; T139-Y171 CarbonylContact O-C 3.48Å; T139-Y171 WeakPolarHBondContact O-CA 3.28Å |
| 140 | R | 92.2 | Very high | 96 | Very high | 178 Ų | 178 | 40.2 Ų | 40.2 | 67% | 0.672 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -146.8 | 105.9 | 175.5 | -164.2 | 177.3 | -149.7 | 179.8 | 8.3 | 111.6 | L145 | R140-L145 WeakPolarHBondContact O-CD1 3.29Š|
| 141 | W | 91.7 | Very high | 96 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | trans | -77.3 | 134.6 | 177.3 | 175.8 | -104.1 | 0 | 0 | 0 | 113.1 | V138 L145 L149 F163 Q177 E180 A181 I184 | V138-W141 HydrophobicContact CG1-CB 4.44Å; V138-W141 HydrophobicContact CG1-CE3 4.28Å; W141-L145 HydrophobicContact CE3-CD1 4.31Å; W141-L145 HydrophobicContact CZ3-CB 4.12Å; W141-L149 HydrophobicContact CH2-CD1 3.92Å; W141-L149 HydrophobicContact CZ3-CD1 3.49Å; W141-L149 VanDerWaalsContact CZ3-CD1 3.49Å; W141-F163 HydrophobicContact CB-CE1 4.37Å; W141-F163 HydrophobicContact CE3-CE1 4.26Å; W141-Q177 HydrophobicContact CB-CB 4.13Å; W141-Q177 HydrophobicContact CB-CG 4.48Å; W141-Q177 HydrophobicContact CG-CB 4.2Å; W141-Q177 PolarHBondContact O-NE2 2.96Å; W141-E180 HydrophobicContact CZ2-CG 4.3Å; W141-E180 VanDerWaalsContact NE1-CD 3.27Å; W141-E180 PolarHBondContact NE1-OE2 3.49Å; W141-A181 HydrophobicContact CD2-CB 3.66Å; W141-A181 HydrophobicContact CE3-CB 3.94Å; W141-A181 HydrophobicContact CG-CB 4.09Å; W141-A181 HydrophobicContact CZ2-CB 4.28Å; W141-A181 HydrophobicContact CZ3-CB 4.36Å; W141-I184 HydrophobicContact CH2-CD1 3.54Å; W141-I184 HydrophobicContact CZ2-CD1 3.36Å | ||
| 142 | H | 91.1 | Very high | 96 | Very high | 96 Ų | 96 | 42.2 Ų | 42.2 | 44% | 0.444 | 21% | 0.206 | S | C | . | . | trans | -153.4 | 154.1 | 161.2 | 62.4 | 79 | 0 | 0 | 0 | 110.8 | G144 L145 | H142-G144 WeakPolarHBondContact ND1-CA 3.41Å; H142-G144 PolarHBondContact ND1-N 3.41Å; H142-G144 PolarHBondContact O-N 3.48Å; H142-G144 VanDerWaalsContact O-N 3.1Å; H142-L145 WeakPolarHBondContact O-CB 3.37Å; H142-L145 PolarHBondContact O-N 2.91Å | ||
| 143 | E | 88.1 | Confident | 96 | Very high | 145 Ų | 145 | 42.5 Ų | 42.5 | 68% | 0.678 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -53.6 | -35 | -176.6 | -172 | -179.9 | -175.5 | 0 | 0 | 113.6 | L145 Y146 | E143-L145 PolarHBondContact O-N 2.88Å; E143-Y146 WeakPolarHBondContact O-CB 3.47Å; E143-Y146 PolarHBondContact O-N 3.5Å |
| 144 | G | 92.2 | Very high | 96 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 61% | 0.608 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -59.4 | -11.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | H142 Y146 | H142-G144 WeakPolarHBondContact ND1-CA 3.41Å; H142-G144 PolarHBondContact ND1-N 3.41Å; H142-G144 PolarHBondContact O-N 3.48Å; H142-G144 VanDerWaalsContact O-N 3.1Å; G144-Y146 VanDerWaalsContact C-N 3.27Å |
| 145 | L | 94.4 | Very high | 95.9 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -79.6 | -6.4 | 173.8 | -63.9 | 179.7 | 0 | 0 | 0 | 113.4 | L113 V138 R140 W141 H142 E143 E147 E148 L149 | L113-L145 HydrophobicContact CD1-CB 4.31Å; L113-L145 HydrophobicContact CD1-CD1 4.38Å; L113-L145 HydrophobicContact CD1-CD2 4.31Å; L113-L145 HydrophobicContact CG-CD2 4.34Å; V138-L145 HydrophobicContact CG1-CD1 4.24Å; R140-L145 WeakPolarHBondContact O-CD1 3.29Å; W141-L145 HydrophobicContact CE3-CD1 4.31Å; W141-L145 HydrophobicContact CZ3-CB 4.12Å; H142-L145 WeakPolarHBondContact O-CB 3.37Å; H142-L145 PolarHBondContact O-N 2.91Å; E143-L145 PolarHBondContact O-N 2.88Å; L145-E147 VanDerWaalsContact C-N 3.33Å; L145-E147 PolarHBondContact O-N 3.14Å; L145-E148 WeakPolarHBondContact CD2-OE2 3.48Å; L145-E148 PolarHBondContact O-N 3.34Å; L145-L149 PolarHBondContact O-N 3.16Å |
| 146 | Y | 95.8 | Very high | 95.9 | Very high | 92 Ų | 92 | 57.5 Ų | 57.5 | 36% | 0.361 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53.1 | -46.9 | -175.7 | 177.1 | -87.1 | 0 | 0 | 0 | 112.9 | E143 G144 E148 L149 E150 I184 | E143-Y146 WeakPolarHBondContact O-CB 3.47Å; E143-Y146 PolarHBondContact O-N 3.5Å; G144-Y146 VanDerWaalsContact C-N 3.27Å; Y146-E148 PolarHBondContact O-N 2.86Å; Y146-L149 PolarHBondContact O-N 3.38Å; Y146-E150 HydrophobicContact CE1-CB 4.29Å; Y146-E150 WeakPolarHBondContact O-CB 3.46Å; Y146-E150 PolarHBondContact O-N 3.03Å; Y146-E150 PolarHBondContact OH-OE1 2.89Å; Y146-I184 HydrophobicContact CD2-CD1 4.41Å; Y146-I184 HydrophobicContact CD2-CG1 4.33Å; Y146-I184 HydrophobicContact CD2-CG2 3.74Å; Y146-I184 HydrophobicContact CE2-CG2 4.04Å |
| 147 | E | 97.3 | Very high | 95.8 | Very high | 149 Ų | 149 | 58 Ų | 58 | 70% | 0.696 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.8 | -39 | -177.5 | -64.5 | -176.7 | 175.8 | 0 | 0 | 112.2 | L145 E150 T151 | L145-E147 VanDerWaalsContact C-N 3.33Å; L145-E147 PolarHBondContact O-N 3.14Å; E147-E150 PolarHBondContact O-N 3.46Å; E147-T151 WeakPolarHBondContact O-CB 3.31Å; E147-T151 PolarHBondContact O-N 3.49Å; E147-T151 PolarHBondContact O-OG1 3.45Å |
| 148 | E | 97.8 | Very high | 95.9 | Very high | 36 Ų | 36 | 57.8 Ų | 57.8 | 17% | 0.168 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.6 | -45.2 | 176.1 | -64.3 | -164.4 | 105.3 | 0 | 0 | 111.1 | S112 L113 L114 L145 Y146 E150 T151 L152 | S112-E148 VanDerWaalsContact CB-OE1 3.26Å; S112-E148 WeakPolarHBondContact CB-OE1 3.37Å; S112-E148 PolarHBondContact OG-OE1 2.59Å; L113-E148 HydrophobicContact CB-CB 4.21Å; L113-E148 HydrophobicContact CD1-CB 4.08Å; L113-E148 HydrophobicContact CG-CB 4.5Å; L113-E148 PolarHBondContact N-OE1 2.94Å; L113-E148 PolarHBondContact N-OE2 3.16Å; L114-E148 HydrophobicContact CD1-CB 4.43Å; L114-E148 HydrophobicContact CD1-CG 4.14Å; L114-E148 HydrophobicContact CG-CB 4.29Å; L114-E148 HydrophobicContact CG-CG 4.33Å; L114-E148 PolarHBondContact N-OE1 3.3Å; L145-E148 WeakPolarHBondContact CD2-OE2 3.48Å; L145-E148 PolarHBondContact O-N 3.34Å; Y146-E148 PolarHBondContact O-N 2.86Å; E148-E150 VanDerWaalsContact C-N 3.32Å; E148-E150 PolarHBondContact O-N 2.89Å; E148-T151 PolarHBondContact O-N 2.85Å; E148-L152 WeakPolarHBondContact O-CB 3.28Å; E148-L152 WeakPolarHBondContact O-CD1 3.42Å; E148-L152 VanDerWaalsContact O-CG 3.29Å; E148-L152 WeakPolarHBondContact O-CG 3.42Å; E148-L152 PolarHBondContact O-N 2.85Å |
| 149 | L | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 174.9 | -74.8 | -175.5 | 0 | 0 | 0 | 111.6 | L113 W141 L145 Y146 T151 L152 V153 F161 I184 L185 L188 | L113-L149 HydrophobicContact CD1-CD2 3.82Å; L113-L149 HydrophobicContact CD1-CG 4.17Å; W141-L149 HydrophobicContact CH2-CD1 3.92Å; W141-L149 HydrophobicContact CZ3-CD1 3.49Å; W141-L149 VanDerWaalsContact CZ3-CD1 3.49Å; L145-L149 PolarHBondContact O-N 3.16Å; Y146-L149 PolarHBondContact O-N 3.38Å; L149-T151 VanDerWaalsContact C-N 3.34Å; L149-T151 PolarHBondContact O-N 2.8Å; L149-L152 PolarHBondContact O-N 2.85Å; L149-V153 WeakPolarHBondContact O-CB 3.34Å; L149-V153 VanDerWaalsContact O-CG2 3.23Å; L149-V153 WeakPolarHBondContact O-CG2 3.41Å; L149-V153 PolarHBondContact O-N 3.41Å; L149-F161 HydrophobicContact CD2-CD1 3.57Å; L149-F161 HydrophobicContact CD2-CE1 3.28Å; L149-F161 HydrophobicContact CD2-CE2 4.29Å; L149-F161 HydrophobicContact CD2-CG 4.2Å; L149-F161 HydrophobicContact CD2-CZ 3.68Å; L149-I184 HydrophobicContact CD1-CG2 4.2Å; L149-L185 HydrophobicContact CD1-CD2 4.14Å; L149-L188 HydrophobicContact CB-CD1 3.87Å |
| 150 | E | 98.1 | Very high | 96.1 | Very high | 53 Ų | 53 | 57.2 Ų | 57.2 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 178.5 | -178 | 171.7 | -116.7 | 0 | 0 | 111.3 | Y146 E147 E148 V153 K154 L188 | Y146-E150 HydrophobicContact CE1-CB 4.29Å; Y146-E150 WeakPolarHBondContact O-CB 3.46Å; Y146-E150 PolarHBondContact O-N 3.03Å; Y146-E150 PolarHBondContact OH-OE1 2.89Å; E147-E150 PolarHBondContact O-N 3.46Å; E148-E150 VanDerWaalsContact C-N 3.32Å; E148-E150 PolarHBondContact O-N 2.89Å; E150-V153 PolarHBondContact O-N 2.67Å; E150-K154 HydrophobicContact CG-CD 3.68Å; E150-K154 HydrophobicContact CG-CG 4.35Å; E150-K154 WeakPolarHBondContact O-CB 3.27Å; E150-K154 WeakPolarHBondContact O-CG 3.4Å; E150-K154 PolarHBondContact O-N 2.81Å; E150-K154 IonicContact OE1-NZ 2.91Å; E150-K154 PolarHBondContact OE1-NZ 3.46Å; E150-K154 IonicContact OE2-NZ 3.13Å; E150-L188 HydrophobicContact CB-CD2 4.07Å; E150-L188 HydrophobicContact CG-CD2 4.08Å |
| 151 | T | 98.6 | Very high | 96.4 | Very high | 44 Ų | 44 | 48.8 Ų | 48.8 | 27% | 0.27 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.9 | -57 | 0 | 0 | 0 | 0 | 111.5 | L114 E147 E148 L149 V153 D155 K156 | L114-T151 HydrophobicContact CD1-CG2 4.26Å; L114-T151 HydrophobicContact CD2-CG2 3.77Å; E147-T151 WeakPolarHBondContact O-CB 3.31Å; E147-T151 PolarHBondContact O-N 3.49Å; E147-T151 PolarHBondContact O-OG1 3.45Å; E148-T151 PolarHBondContact O-N 2.85Å; L149-T151 VanDerWaalsContact C-N 3.34Å; L149-T151 PolarHBondContact O-N 2.8Å; T151-V153 VanDerWaalsContact C-N 3.29Å; T151-V153 PolarHBondContact O-N 3.34Å; T151-D155 HydrophobicContact CG2-CB 4.4Å; T151-D155 WeakPolarHBondContact O-CA 3.35Å; T151-D155 WeakPolarHBondContact O-CB 3.24Å; T151-D155 PolarHBondContact O-N 3.06Å; T151-K156 PolarHBondContact O-N 3.41Å |
| 152 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.1 | -41.4 | 178.3 | -77.1 | 157.1 | 0 | 0 | 0 | 112 | L113 L114 F117 L136 E148 L149 K156 G157 V158 F161 | L113-L152 HydrophobicContact CB-CD1 3.67Å; L113-L152 HydrophobicContact CD1-CD1 4.17Å; L114-L152 HydrophobicContact CD2-CD1 4.45Å; L114-L152 HydrophobicContact CD2-CD2 3.94Å; L114-L152 HydrophobicContact CD2-CG 3.73Å; F117-L152 HydrophobicContact CB-CD2 3.85Å; F117-L152 HydrophobicContact CD1-CD2 4.42Å; F117-L152 HydrophobicContact CD2-CD2 4.1Å; F117-L152 HydrophobicContact CG-CD2 3.85Å; L136-L152 HydrophobicContact CD1-CD2 4.49Å; L136-L152 HydrophobicContact CD2-CD1 3.44Å; L136-L152 VanDerWaalsContact CD2-CD1 3.44Å; L136-L152 HydrophobicContact CD2-CD2 3.86Å; L136-L152 HydrophobicContact CD2-CG 4.28Å; E148-L152 WeakPolarHBondContact O-CB 3.28Å; E148-L152 WeakPolarHBondContact O-CD1 3.42Å; E148-L152 VanDerWaalsContact O-CG 3.29Å; E148-L152 WeakPolarHBondContact O-CG 3.42Å; E148-L152 PolarHBondContact O-N 2.85Å; L149-L152 PolarHBondContact O-N 2.85Å; L152-K156 HydrophobicContact CD2-CB 4.27Å; L152-K156 HydrophobicContact CD2-CG 4.33Å; L152-K156 CarbonylContact O-C 3.58Å; L152-K156 PolarHBondContact O-N 2.95Å; L152-G157 PolarHBondContact O-N 2.97Å; L152-G157 VanDerWaalsContact O-N 3.09Å; L152-V158 HydrophobicContact CB-CB 4.35Å; L152-V158 HydrophobicContact CD2-CG2 4.28Å; L152-V158 PolarHBondContact O-N 3.3Å; L152-F161 HydrophobicContact CB-CE1 4.5Å; L152-F161 HydrophobicContact CB-CZ 4.22Å; L152-F161 HydrophobicContact CD1-CE1 4.21Å |
| 153 | V | 98.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.7 | -45.8 | -179.1 | 176 | 0 | 0 | 0 | 0 | 112.6 | L149 E150 T151 V158 F161 L188 A190 A470 | L149-V153 WeakPolarHBondContact O-CB 3.34Å; L149-V153 VanDerWaalsContact O-CG2 3.23Å; L149-V153 WeakPolarHBondContact O-CG2 3.41Å; L149-V153 PolarHBondContact O-N 3.41Å; E150-V153 PolarHBondContact O-N 2.67Å; T151-V153 VanDerWaalsContact C-N 3.29Å; T151-V153 PolarHBondContact O-N 3.34Å; V153-V158 VanDerWaalsContact CA-O 3.24Å; V153-V158 WeakPolarHBondContact CA-O 3.49Å; V153-V158 WeakPolarHBondContact CG2-O 3.49Å; V153-F161 HydrophobicContact CG2-CE2 3.67Å; V153-F161 HydrophobicContact CG2-CZ 3.82Å; V153-L188 HydrophobicContact CG1-CB 4.38Å; V153-L188 WeakPolarHBondContact CG1-O 3.27Å; V153-L188 HydrophobicContact CG2-CB 4.38Å; V153-L188 HydrophobicContact CG2-CD1 4.48Å; V153-A190 HydrophobicContact CG2-CB 4.19Å; V153-A470 HydrophobicContact CG1-CB 3.57Å |
| 154 | K | 97.6 | Very high | 97.6 | Very high | 132 Ų | 132 | 38 Ų | 38 | 57% | 0.574 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -80.5 | -40.3 | -174.4 | -69.6 | -179.1 | 178.8 | 171.7 | 0 | 112.7 | E150 | E150-K154 HydrophobicContact CG-CD 3.68Å; E150-K154 HydrophobicContact CG-CG 4.35Å; E150-K154 WeakPolarHBondContact O-CB 3.27Å; E150-K154 WeakPolarHBondContact O-CG 3.4Å; E150-K154 PolarHBondContact O-N 2.81Å; E150-K154 IonicContact OE1-NZ 2.91Å; E150-K154 PolarHBondContact OE1-NZ 3.46Å; E150-K154 IonicContact OE2-NZ 3.13Å |
| 155 | D | 97.9 | Very high | 97.9 | Very high | 123 Ų | 123 | 35.1 Ų | 35.1 | 66% | 0.658 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -31.6 | -164.8 | -53.6 | -39.8 | 0 | 0 | 0 | 113.3 | T151 | T151-D155 HydrophobicContact CG2-CB 4.4Å; T151-D155 WeakPolarHBondContact O-CA 3.35Å; T151-D155 WeakPolarHBondContact O-CB 3.24Å; T151-D155 PolarHBondContact O-N 3.06Å |
| 156 | K | 98.1 | Very high | 98.1 | Very high | 61 Ų | 61 | 34.5 Ų | 34.5 | 27% | 0.265 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -98.3 | -8.9 | -177.3 | -55.9 | -73.1 | -164.7 | 153 | 0 | 114.1 | L114 F117 D118 T151 L152 F465 | L114-K156 HydrophobicContact CD2-CG 4.35Å; F117-K156 HydrophobicContact CD1-CB 4.36Å; F117-K156 HydrophobicContact CD1-CD 4.16Å; F117-K156 HydrophobicContact CD1-CG 4.33Å; F117-K156 HydrophobicContact CE1-CB 3.84Å; F117-K156 HydrophobicContact CE1-CD 3.74Å; F117-K156 HydrophobicContact CE1-CG 4.09Å; F117-K156 HydrophobicContact CE2-CB 4.41Å; F117-K156 HydrophobicContact CZ-CB 3.85Å; D118-K156 VanDerWaalsContact CG-NZ 3.31Å; D118-K156 IonicContact OD1-NZ 2.67Å; D118-K156 PolarHBondContact OD1-NZ 3.22Å; D118-K156 IonicContact OD2-NZ 2.8Å; D118-K156 PolarHBondContact OD2-NZ 3.37Å; T151-K156 PolarHBondContact O-N 3.41Å; L152-K156 HydrophobicContact CD2-CB 4.27Å; L152-K156 HydrophobicContact CD2-CG 4.33Å; L152-K156 CarbonylContact O-C 3.58Å; L152-K156 PolarHBondContact O-N 2.95Å; K156-F465 WeakPolarHBondContact O-CE1 3.38Å; K156-F465 WeakPolarHBondContact O-CZ 3.28Å |
| 157 | G | 97.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 9% | 0.093 | 16% | 0.156 | C | C | . | . | trans | 75.1 | 34.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L152 R468 | L152-G157 PolarHBondContact O-N 2.97Å; L152-G157 VanDerWaalsContact O-N 3.09Å; G157-R468 CarbonylContact C-O 3.55Å; G157-R468 VanDerWaalsContact C-O 3.27Å; G157-R468 WeakPolarHBondContact CA-O 3.28Å; G157-R468 WeakPolarHBondContact O-CB 3.48Å; G157-R468 PolarHBondContact O-N 3.44Å | ||
| 158 | V | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -104.2 | 125.1 | 173.9 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | F117 L136 L152 V153 F161 | F117-V158 HydrophobicContact CD2-CG2 3.78Å; F117-V158 HydrophobicContact CE2-CG2 3.5Å; F117-V158 VanDerWaalsContact CE2-CG2 3.5Å; F117-V158 HydrophobicContact CZ-CG2 4.45Å; L136-V158 HydrophobicContact CD1-CG1 4.05Å; L136-V158 HydrophobicContact CD1-CG2 4.14Å; L152-V158 HydrophobicContact CB-CB 4.35Å; L152-V158 HydrophobicContact CD2-CG2 4.28Å; L152-V158 PolarHBondContact O-N 3.3Å; V153-V158 VanDerWaalsContact CA-O 3.24Å; V153-V158 WeakPolarHBondContact CA-O 3.49Å; V153-V158 WeakPolarHBondContact CG2-O 3.49Å; V158-F161 HydrophobicContact CG1-CE1 4.09Å; V158-F161 HydrophobicContact CG1-CE2 4.38Å; V158-F161 HydrophobicContact CG1-CZ 3.88Å | ||
| 159 | N | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -124.9 | 23.8 | -177.6 | 68.6 | 2.8 | 0 | 0 | 0 | 113.7 | A190 I191 F389 R468 K469 | N159-A190 CarbonylContact O-C 3.54Å; N159-A190 VanDerWaalsContact O-CA 3.29Å; N159-A190 WeakPolarHBondContact O-CA 3.48Å; N159-I191 PolarHBondContact O-N 3.25Å; N159-F389 PolarHBondContact ND2-O 3.13Å; N159-F389 VanDerWaalsContact ND2-O 3.13Å; N159-R468 WeakPolarHBondContact ND2-CB 3.47Å; N159-R468 VanDerWaalsContact OD1-CZ 3.23Å; N159-R468 PolarHBondContact OD1-NH1 3.01Å; N159-R468 PolarHBondContact OD1-NH2 3.48Å; N159-K469 PolarHBondContact ND2-O 3.07Å | ||
| 160 | S | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 133.4 | -172.2 | 56 | 0 | 0 | 0 | 0 | 111.4 | H135 L136 I191 R468 | H135-S160 WeakPolarHBondContact ND1-CB 3.46Å; H135-S160 PolarHBondContact ND1-OG 3.38Å; L136-S160 PolarHBondContact N-O 3.39Å; S160-I191 VanDerWaalsContact CA-O 3.29Å; S160-I191 WeakPolarHBondContact CA-O 3.45Å; S160-R468 PolarHBondContact OG-NH1 2.91Å; S160-R468 VanDerWaalsContact OG-NH1 3.08Å; S160-R468 PolarHBondContact OG-NH2 3.41Å |
| 161 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 131.7 | -174.6 | -60.4 | -91.5 | 0 | 0 | 0 | 111.2 | L136 V138 L149 L152 V153 V158 F163 L185 A190 I191 Q193 | L136-F161 HydrophobicContact CB-CD1 3.63Å; L136-F161 HydrophobicContact CB-CE1 3.85Å; L136-F161 HydrophobicContact CD2-CE1 4.38Å; L136-F161 CarbonylContact O-C 3.41Å; L136-F161 WeakPolarHBondContact O-CA 3.49Å; V138-F161 HydrophobicContact CG2-CB 4.34Å; V138-F161 HydrophobicContact CG2-CD1 4.26Å; L149-F161 HydrophobicContact CD2-CD1 3.57Å; L149-F161 HydrophobicContact CD2-CE1 3.28Å; L149-F161 HydrophobicContact CD2-CE2 4.29Å; L149-F161 HydrophobicContact CD2-CG 4.2Å; L149-F161 HydrophobicContact CD2-CZ 3.68Å; L152-F161 HydrophobicContact CB-CE1 4.5Å; L152-F161 HydrophobicContact CB-CZ 4.22Å; L152-F161 HydrophobicContact CD1-CE1 4.21Å; V153-F161 HydrophobicContact CG2-CE2 3.67Å; V153-F161 HydrophobicContact CG2-CZ 3.82Å; V158-F161 HydrophobicContact CG1-CE1 4.09Å; V158-F161 HydrophobicContact CG1-CE2 4.38Å; V158-F161 HydrophobicContact CG1-CZ 3.88Å; F161-F163 HydrophobicContact CB-CE2 4.06Å; F161-L185 HydrophobicContact CB-CD1 3.99Å; F161-L185 HydrophobicContact CB-CD2 4.45Å; F161-L185 HydrophobicContact CD2-CD1 4.2Å; F161-L185 HydrophobicContact CD2-CD2 3.38Å; F161-L185 HydrophobicContact CD2-CG 4.44Å; F161-L185 HydrophobicContact CE2-CD2 3.8Å; F161-L185 HydrophobicContact CG-CD1 4.44Å; F161-L185 HydrophobicContact CG-CD2 4.03Å; F161-A190 HydrophobicContact CD2-CB 3.93Å; F161-A190 HydrophobicContact CE2-CB 3.76Å; F161-I191 PolarHBondContact N-O 3.14Å; F161-Q193 PolarHBondContact O-N 3.05Å |
| 162 | L | 98.8 | Very high | 97.2 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 137.2 | 179.6 | -174.9 | 76.2 | 0 | 0 | 0 | 111.1 | L136 D137 V138 F164 Q193 H195 T250 | L136-L162 PolarHBondContact O-N 3.45Å; D137-L162 HydrophobicContact CB-CB 4.36Å; D137-L162 HydrophobicContact CB-CD2 4.46Å; D137-L162 VanDerWaalsContact OD1-CB 3.24Å; D137-L162 WeakPolarHBondContact OD1-CB 3.25Å; V138-L162 PolarHBondContact N-O 3.25Å; L162-F164 HydrophobicContact CD2-CE1 3.78Å; L162-F164 HydrophobicContact CD2-CE2 4.26Å; L162-F164 HydrophobicContact CD2-CZ 3.62Å; L162-F164 HydrophobicContact CG-CZ 4.46Å; L162-Q193 WeakPolarHBondContact CA-O 3.29Å; L162-Q193 HydrophobicContact CB-CB 4.11Å; L162-Q193 HydrophobicContact CD1-CB 3.57Å; L162-Q193 HydrophobicContact CG-CB 4.46Å; L162-H195 HydrophobicContact CD1-CB 4.37Å; L162-T250 HydrophobicContact CD1-CG2 3.86Å |
| 163 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.4 | 168.6 | -61.5 | -99.5 | 0 | 0 | 0 | 109.7 | V138 W141 F161 L178 A181 F182 L185 Q193 V194 H195 | V138-F163 HydrophobicContact CB-CD1 4.02Å; V138-F163 HydrophobicContact CB-CE1 3.66Å; V138-F163 HydrophobicContact CB-CZ 4Å; V138-F163 HydrophobicContact CG1-CD1 4.2Å; V138-F163 HydrophobicContact CG1-CE1 3.64Å; V138-F163 HydrophobicContact CG1-CZ 4.26Å; V138-F163 HydrophobicContact CG2-CE1 4.19Å; V138-F163 HydrophobicContact CG2-CZ 4.01Å; W141-F163 HydrophobicContact CB-CE1 4.37Å; W141-F163 HydrophobicContact CE3-CE1 4.26Å; F161-F163 HydrophobicContact CB-CE2 4.06Å; F163-L178 HydrophobicContact CB-CD2 3.54Å; F163-L178 HydrophobicContact CD1-CD2 4.25Å; F163-L178 HydrophobicContact CG-CD2 3.99Å; F163-A181 HydrophobicContact CD1-CB 4.42Å; F163-A181 HydrophobicContact CE1-CB 3.54Å; F163-A181 HydrophobicContact CE2-CB 4.43Å; F163-A181 HydrophobicContact CZ-CB 3.56Å; F163-F182 AromaticContact CD2-CE1 3.87Å; F163-F182 HydrophobicContact CD2-CE1 3.87Å; F163-F182 HydrophobicContact CE2-CE1 4.3Å; F163-F182 HydrophobicContact CG-CE1 4.35Å; F163-L185 HydrophobicContact CE2-CD1 3.6Å; F163-L185 HydrophobicContact CZ-CD1 4.06Å; F163-Q193 PolarHBondContact N-O 3.08Å; F163-V194 WeakPolarHBondContact O-CA 3.25Å; F163-H195 PolarHBondContact O-N 3.34Å |
| 164 | F | 98.5 | Very high | 97.1 | Very high | 11 Ų | 11 | 38.2 Ų | 38.2 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.2 | 179.9 | -58 | -91.3 | 0 | 0 | 0 | 110.4 | L106 D137 T139 L162 Y167 Y171 Q172 S173 H195 | L106-F164 HydrophobicContact CD1-CE2 4.32Å; L106-F164 HydrophobicContact CD1-CZ 4.06Å; D137-F164 HydrophobicContact CB-CE2 3.89Å; D137-F164 HydrophobicContact CB-CZ 4.05Å; T139-F164 HydrophobicContact CG2-CE2 4.2Å; L162-F164 HydrophobicContact CD2-CE1 3.78Å; L162-F164 HydrophobicContact CD2-CE2 4.26Å; L162-F164 HydrophobicContact CD2-CZ 3.62Å; L162-F164 HydrophobicContact CG-CZ 4.46Å; F164-Y167 HydrophobicContact CB-CD2 4.28Å; F164-Y167 AromaticContact CD1-CD2 3.6Å; F164-Y167 HydrophobicContact CD1-CD2 3.6Å; F164-Y167 AromaticContact CD1-CE2 3.58Å; F164-Y167 HydrophobicContact CD1-CE2 3.58Å; F164-Y167 HydrophobicContact CE1-CD2 4.26Å; F164-Y167 AromaticContact CE1-CE2 3.94Å; F164-Y167 HydrophobicContact CE1-CE2 3.94Å; F164-Y167 HydrophobicContact CG-CD2 4.16Å; F164-Y171 HydrophobicContact CD2-CD2 4.46Å; F164-Y171 HydrophobicContact CD2-CG 4.3Å; F164-Y171 HydrophobicContact CE2-CD2 4.47Å; F164-Q172 WeakPolarHBondContact O-CA 3.44Å; F164-S173 PolarHBondContact O-N 3.07Å; F164-H195 HydrophobicContact CD1-CB 3.78Å; F164-H195 AromaticContact CD1-CD2 3.87Å; F164-H195 HydrophobicContact CE1-CB 4.25Å |
| 165 | M | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -100.2 | -9.4 | 166.7 | -59.3 | 178 | 70.4 | 0 | 0 | 111.9 | Q172 L178 H195 A196 E197 G199 A232 R235 A236 | M165-Q172 WeakPolarHBondContact O-CG 3.47Å; M165-L178 HydrophobicContact CE-CD1 4.37Å; M165-L178 HydrophobicContact CG-CD1 4.03Å; M165-L178 HydrophobicContact SD-CD1 4.34Å; M165-H195 PolarHBondContact N-O 3.17Å; M165-A196 HydrophobicContact SD-CB 4.11Å; M165-E197 CarbonylContact C-O 3.52Å; M165-E197 VanDerWaalsContact CB-O 3.3Å; M165-E197 WeakPolarHBondContact CB-O 3.34Å; M165-G199 PolarHBondContact O-N 2.81Å; M165-A232 HydrophobicContact CE-CB 3.87Å; M165-A232 WeakPolarHBondContact CE-O 3.25Å; M165-A232 HydrophobicContact SD-CB 4.13Å; M165-R235 HydrophobicContact CE-CB 4.17Å; M165-R235 HydrophobicContact CE-CG 4.12Å; M165-R235 VanDerWaalsContact CE-CZ 3.44Å; M165-R235 VanDerWaalsContact CE-NH1 3.3Å; M165-A236 HydrophobicContact CE-CB 4.42Å; M165-A236 HydrophobicContact SD-CB 3.73Å |
| 166 | A | 97.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -103 | -174.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q172 E197 I202 | A166-Q172 VanDerWaalsContact O-CA 3.32Å; A166-Q172 WeakPolarHBondContact O-CA 3.41Å; A166-Q172 VanDerWaalsContact O-CB 3.32Å; A166-Q172 WeakPolarHBondContact O-CB 3.44Å; A166-Q172 PolarHBondContact O-N 3.23Å; A166-E197 HydrophobicContact CB-CB 4.12Å; A166-E197 PolarHBondContact N-O 2.96Å; A166-I202 HydrophobicContact CB-CD1 4.45Å |
| 167 | Y | 95.6 | Very high | 97.2 | Very high | 45 Ų | 45 | 33 Ų | 33 | 18% | 0.176 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 60.6 | 61.1 | -179.6 | -46.3 | -65.7 | 0 | 0 | 0 | 112.4 | F164 R170 Y171 Q172 H195 E350 | F164-Y167 HydrophobicContact CB-CD2 4.28Å; F164-Y167 AromaticContact CD1-CD2 3.6Å; F164-Y167 HydrophobicContact CD1-CD2 3.6Å; F164-Y167 AromaticContact CD1-CE2 3.58Å; F164-Y167 HydrophobicContact CD1-CE2 3.58Å; F164-Y167 HydrophobicContact CE1-CD2 4.26Å; F164-Y167 AromaticContact CE1-CE2 3.94Å; F164-Y167 HydrophobicContact CE1-CE2 3.94Å; F164-Y167 HydrophobicContact CG-CD2 4.16Å; Y167-R170 PolarHBondContact O-N 3.19Å; Y167-R170 VanDerWaalsContact O-N 3.1Å; Y167-Y171 AromaticContact CD2-CD2 3.79Å; Y167-Y171 HydrophobicContact CD2-CD2 3.79Å; Y167-Y171 AromaticContact CG-CD2 3.99Å; Y167-Y171 HydrophobicContact CG-CD2 3.99Å; Y167-Y171 PolarHBondContact O-N 3.47Å; Y167-Q172 PolarHBondContact O-N 3.12Å; Y167-H195 AromaticContact CE2-CD2 3.64Å; Y167-H195 AromaticContact CE2-NE2 3.6Å; Y167-H195 AromaticContact CZ-NE2 3.87Å; Y167-E350 VanDerWaalsContact CE1-OE2 3.3Å; Y167-E350 WeakPolarHBondContact CE1-OE2 3.42Å; Y167-E350 PolarHBondContact OH-OE2 2.81Å |
| 168 | K | 95.6 | Very high | 97.2 | Very high | 60 Ų | 60 | 32.6 Ų | 32.6 | 26% | 0.261 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 141.3 | 178.7 | -175.8 | 172.1 | 177 | 166.1 | 0 | 112.1 | R170 Q172 D200 D203 | K168-R170 PolarHBondContact O-N 2.95Å; K168-Q172 VanDerWaalsContact CA-OE1 3.23Å; K168-D200 WeakPolarHBondContact CD-OD1 3.23Å; K168-D200 WeakPolarHBondContact CE-OD1 3.38Å; K168-D200 IonicContact NZ-OD1 3.84Å; K168-D200 PolarHBondContact NZ-OD1 3.02Å; K168-D203 HydrophobicContact CB-CB 4.26Å; K168-D203 HydrophobicContact CD-CB 3.92Å; K168-D203 IonicContact NZ-OD2 3.79Å |
| 169 | D | 92.1 | Very high | 97.2 | Very high | 156 Ų | 156 | 38.7 Ų | 38.7 | 83% | 0.834 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | -2.8 | -177.2 | -58.5 | -37.7 | 0 | 0 | 0 | 116.1 | ||
| 170 | R | 91.6 | Very high | 97.2 | Very high | 98 Ų | 98 | 42.2 Ų | 42.2 | 37% | 0.37 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -63.2 | 178.3 | -160.5 | -173 | 176 | 174.2 | -5 | 112.3 | E108 Y167 K168 | E108-R170 IonicContact OE1-NH2 3.33Å; Y167-R170 PolarHBondContact O-N 3.19Å; Y167-R170 VanDerWaalsContact O-N 3.1Å; K168-R170 PolarHBondContact O-N 2.95Å |
| 171 | Y | 94.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -15.4 | -173.9 | -51.7 | -34.7 | 0 | 0 | 0 | 113.9 | L106 T139 F164 Y167 S173 | L106-Y171 HydrophobicContact CD1-CE2 4.34Å; T139-Y171 HydrophobicContact CG2-CD1 3.44Å; T139-Y171 VanDerWaalsContact CG2-CD1 3.44Å; T139-Y171 HydrophobicContact CG2-CE1 3.64Å; T139-Y171 HydrophobicContact CG2-CG 3.97Å; T139-Y171 CarbonylContact O-C 3.48Å; T139-Y171 WeakPolarHBondContact O-CA 3.28Å; F164-Y171 HydrophobicContact CD2-CD2 4.46Å; F164-Y171 HydrophobicContact CD2-CG 4.3Å; F164-Y171 HydrophobicContact CE2-CD2 4.47Å; Y167-Y171 AromaticContact CD2-CD2 3.79Å; Y167-Y171 HydrophobicContact CD2-CD2 3.79Å; Y167-Y171 AromaticContact CG-CD2 3.99Å; Y167-Y171 HydrophobicContact CG-CD2 3.99Å; Y167-Y171 PolarHBondContact O-N 3.47Å; Y171-S173 PolarHBondContact O-N 3.33Å |
| 172 | Q | 97.1 | Very high | 97.2 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -57.6 | 122.6 | -173.6 | -174.1 | 173.2 | -13.1 | 0 | 0 | 112 | F164 M165 A166 Y167 K168 D200 | F164-Q172 WeakPolarHBondContact O-CA 3.44Å; M165-Q172 WeakPolarHBondContact O-CG 3.47Å; A166-Q172 VanDerWaalsContact O-CA 3.32Å; A166-Q172 WeakPolarHBondContact O-CA 3.41Å; A166-Q172 VanDerWaalsContact O-CB 3.32Å; A166-Q172 WeakPolarHBondContact O-CB 3.44Å; A166-Q172 PolarHBondContact O-N 3.23Å; Y167-Q172 PolarHBondContact O-N 3.12Å; K168-Q172 VanDerWaalsContact CA-OE1 3.23Å; Q172-D200 PolarHBondContact NE2-OD2 3.03Å |
| 173 | S | 97.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -90 | 135.1 | 171.2 | -66.6 | 0 | 0 | 0 | 0 | 110.7 | F164 Y171 | F164-S173 PolarHBondContact O-N 3.07Å; Y171-S173 PolarHBondContact O-N 3.33Å |
| 174 | S | 97.9 | Very high | 97.1 | Very high | 48 Ų | 48 | 43.7 Ų | 43.7 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -71.2 | 159.1 | 170.6 | 63.3 | 0 | 0 | 0 | 0 | 111.8 | S176 Q177 L178 | S174-S176 PolarHBondContact O-N 3.1Å; S174-S176 PolarHBondContact OG-OG 3Å; S174-Q177 WeakPolarHBondContact O-CB 3.36Å; S174-Q177 PolarHBondContact O-N 2.91Å; S174-Q177 VanDerWaalsContact OG-CG 3.27Å; S174-Q177 WeakPolarHBondContact OG-CG 3.3Å; S174-Q177 PolarHBondContact OG-N 2.98Å; S174-Q177 PolarHBondContact OG-OE1 2.83Å; S174-L178 WeakPolarHBondContact O-CG 3.29Å; S174-L178 PolarHBondContact O-N 2.94Å |
| 175 | D | 98.7 | Very high | 97.1 | Very high | 72 Ų | 72 | 43.1 Ų | 43.1 | 39% | 0.385 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.2 | -37 | 178.8 | -69.5 | -5 | 0 | 0 | 0 | 113.1 | L178 Y179 R235 I239 | D175-L178 PolarHBondContact O-N 3.06Å; D175-Y179 WeakPolarHBondContact O-CB 3.43Å; D175-Y179 PolarHBondContact O-N 2.95Å; D175-R235 WeakPolarHBondContact OD1-CD 3.46Å; D175-R235 IonicContact OD1-CZ 3.07Å; D175-R235 IonicContact OD1-NH1 2.69Å; D175-R235 PolarHBondContact OD1-NH1 2.73Å; D175-R235 WeakPolarHBondContact OD2-CD 3.25Å; D175-I239 HydrophobicContact CB-CD1 3.94Å |
| 176 | S | 98 | Very high | 97 | Very high | 84 Ų | 84 | 46.3 Ų | 46.3 | 59% | 0.587 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -66.6 | -40.6 | 176.5 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | S174 Y179 E180 | S174-S176 PolarHBondContact O-N 3.1Å; S174-S176 PolarHBondContact OG-OG 3Å; S176-Y179 PolarHBondContact O-N 2.95Å; S176-E180 PolarHBondContact O-N 3.35Å; S176-E180 VanDerWaalsContact O-N 3.07Å |
| 177 | Q | 97.8 | Very high | 97 | Very high | 52 Ų | 52 | 51.1 Ų | 51.1 | 24% | 0.243 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.7 | -43 | 176.9 | -71.6 | 170.2 | -60.7 | 0 | 0 | 110.9 | W141 S174 Y179 E180 A181 | W141-Q177 HydrophobicContact CB-CB 4.13Å; W141-Q177 HydrophobicContact CB-CG 4.48Å; W141-Q177 HydrophobicContact CG-CB 4.2Å; W141-Q177 PolarHBondContact O-NE2 2.96Å; S174-Q177 WeakPolarHBondContact O-CB 3.36Å; S174-Q177 PolarHBondContact O-N 2.91Å; S174-Q177 VanDerWaalsContact OG-CG 3.27Å; S174-Q177 WeakPolarHBondContact OG-CG 3.3Å; S174-Q177 PolarHBondContact OG-N 2.98Å; S174-Q177 PolarHBondContact OG-OE1 2.83Å; Q177-Y179 PolarHBondContact O-N 3.14Å; Q177-E180 PolarHBondContact O-N 3.22Å; Q177-A181 VanDerWaalsContact O-CB 3.25Å; Q177-A181 WeakPolarHBondContact O-CB 3.19Å; Q177-A181 PolarHBondContact O-N 3.35Å |
| 178 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 174.9 | -67.4 | 175.6 | 0 | 0 | 0 | 111.3 | F163 M165 S174 D175 E180 F182 I239 | F163-L178 HydrophobicContact CB-CD2 3.54Å; F163-L178 HydrophobicContact CD1-CD2 4.25Å; F163-L178 HydrophobicContact CG-CD2 3.99Å; M165-L178 HydrophobicContact CE-CD1 4.37Å; M165-L178 HydrophobicContact CG-CD1 4.03Å; M165-L178 HydrophobicContact SD-CD1 4.34Å; S174-L178 WeakPolarHBondContact O-CG 3.29Å; S174-L178 PolarHBondContact O-N 2.94Å; D175-L178 PolarHBondContact O-N 3.06Å; L178-E180 PolarHBondContact O-N 2.84Å; L178-F182 HydrophobicContact CB-CE2 4.29Å; L178-F182 HydrophobicContact CB-CZ 4.21Å; L178-F182 HydrophobicContact CD2-CE1 4.08Å; L178-F182 HydrophobicContact CD2-CZ 3.95Å; L178-F182 WeakPolarHBondContact O-CB 3.47Å; L178-F182 VanDerWaalsContact O-CD1 3.27Å; L178-F182 WeakPolarHBondContact O-CD1 3.36Å; L178-F182 WeakPolarHBondContact O-CD2 3.42Å; L178-F182 WeakPolarHBondContact O-CG 3.44Å; L178-F182 PolarHBondContact O-N 2.97Å; L178-I239 HydrophobicContact CB-CD1 4.37Å; L178-I239 HydrophobicContact CB-CG2 4.1Å; L178-I239 HydrophobicContact CD1-CD1 4.11Å |
| 179 | Y | 98.6 | Very high | 97.2 | Very high | 128 Ų | 128 | 46.7 Ų | 46.7 | 50% | 0.502 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60 | -46.4 | 179.1 | -179.4 | -95.2 | 0 | 0 | 0 | 112.5 | D175 S176 Q177 G183 I239 Q242 A243 | D175-Y179 WeakPolarHBondContact O-CB 3.43Å; D175-Y179 PolarHBondContact O-N 2.95Å; S176-Y179 PolarHBondContact O-N 2.95Å; Q177-Y179 PolarHBondContact O-N 3.14Å; Y179-G183 PolarHBondContact O-N 2.99Å; Y179-G183 VanDerWaalsContact O-N 3.11Å; Y179-I239 HydrophobicContact CD2-CG2 4.34Å; Y179-Q242 HydrophobicContact CD2-CB 4.33Å; Y179-Q242 HydrophobicContact CE2-CB 3.84Å; Y179-A243 HydrophobicContact CD2-CB 4.22Å; Y179-A243 HydrophobicContact CE2-CB 4.23Å |
| 180 | E | 98.1 | Very high | 97.6 | Very high | 73 Ų | 73 | 39.2 Ų | 39.2 | 34% | 0.341 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.6 | -52.6 | 178.3 | -172.6 | -168.2 | 168.8 | 0 | 0 | 111.5 | W141 S176 Q177 L178 F182 G183 I184 | W141-E180 HydrophobicContact CZ2-CG 4.3Å; W141-E180 VanDerWaalsContact NE1-CD 3.27Å; W141-E180 PolarHBondContact NE1-OE2 3.49Å; S176-E180 PolarHBondContact O-N 3.35Å; S176-E180 VanDerWaalsContact O-N 3.07Å; Q177-E180 PolarHBondContact O-N 3.22Å; L178-E180 PolarHBondContact O-N 2.84Å; E180-F182 VanDerWaalsContact C-N 3.32Å; E180-F182 PolarHBondContact O-N 3.37Å; E180-G183 PolarHBondContact O-N 2.96Å; E180-G183 VanDerWaalsContact O-N 3.1Å; E180-I184 HydrophobicContact CG-CD1 4.37Å; E180-I184 PolarHBondContact O-N 3.19Å; E180-I184 VanDerWaalsContact O-N 3.1Å |
| 181 | A | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.9 | -43.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W141 F163 Q177 G183 I184 L185 | W141-A181 HydrophobicContact CD2-CB 3.66Å; W141-A181 HydrophobicContact CE3-CB 3.94Å; W141-A181 HydrophobicContact CG-CB 4.09Å; W141-A181 HydrophobicContact CZ2-CB 4.28Å; W141-A181 HydrophobicContact CZ3-CB 4.36Å; F163-A181 HydrophobicContact CD1-CB 4.42Å; F163-A181 HydrophobicContact CE1-CB 3.54Å; F163-A181 HydrophobicContact CE2-CB 4.43Å; F163-A181 HydrophobicContact CZ-CB 3.56Å; Q177-A181 VanDerWaalsContact O-CB 3.25Å; Q177-A181 WeakPolarHBondContact O-CB 3.19Å; Q177-A181 PolarHBondContact O-N 3.35Å; A181-G183 VanDerWaalsContact C-N 3.3Å; A181-G183 PolarHBondContact O-N 2.87Å; A181-I184 PolarHBondContact O-N 3.34Å; A181-L185 WeakPolarHBondContact O-CG 3.19Å; A181-L185 PolarHBondContact O-N 3.13Å |
| 182 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -35.8 | 178.2 | -69.1 | 0.4 | 0 | 0 | 0 | 112.1 | F163 L178 E180 R186 A192 V194 I239 A240 A243 C245 L247 | F163-F182 AromaticContact CD2-CE1 3.87Å; F163-F182 HydrophobicContact CD2-CE1 3.87Å; F163-F182 HydrophobicContact CE2-CE1 4.3Å; F163-F182 HydrophobicContact CG-CE1 4.35Å; L178-F182 HydrophobicContact CB-CE2 4.29Å; L178-F182 HydrophobicContact CB-CZ 4.21Å; L178-F182 HydrophobicContact CD2-CE1 4.08Å; L178-F182 HydrophobicContact CD2-CZ 3.95Å; L178-F182 WeakPolarHBondContact O-CB 3.47Å; L178-F182 VanDerWaalsContact O-CD1 3.27Å; L178-F182 WeakPolarHBondContact O-CD1 3.36Å; L178-F182 WeakPolarHBondContact O-CD2 3.42Å; L178-F182 WeakPolarHBondContact O-CG 3.44Å; L178-F182 PolarHBondContact O-N 2.97Å; E180-F182 VanDerWaalsContact C-N 3.32Å; E180-F182 PolarHBondContact O-N 3.37Å; F182-R186 WeakPolarHBondContact O-CB 3.15Å; F182-R186 PolarHBondContact O-N 3.14Å; F182-A192 HydrophobicContact CD1-CB 3.5Å; F182-A192 VanDerWaalsContact CD1-CB 3.5Å; F182-A192 HydrophobicContact CE1-CB 3.54Å; F182-A192 HydrophobicContact CG-CB 4.14Å; F182-A192 HydrophobicContact CZ-CB 4.18Å; F182-V194 HydrophobicContact CE1-CG1 4.43Å; F182-V194 HydrophobicContact CZ-CG1 3.71Å; F182-I239 HydrophobicContact CD2-CG2 3.89Å; F182-I239 HydrophobicContact CE2-CG2 4.1Å; F182-A240 HydrophobicContact CD2-CB 3.9Å; F182-A240 HydrophobicContact CE2-CB 4.04Å; F182-A243 HydrophobicContact CB-CB 3.83Å; F182-C245 HydrophobicContact CB-CB 3.75Å; F182-C245 HydrophobicContact CG-CB 4.48Å; F182-C245 VanDerWaalsContact O-CB 3.31Å; F182-C245 WeakPolarHBondContact O-CB 3.19Å; F182-C245 PolarHBondContact O-SG 3.32Å; F182-L247 HydrophobicContact CE2-CD1 4.16Å; F182-L247 HydrophobicContact CZ-CD1 4.08Å |
| 183 | G | 97.5 | Very high | 98.2 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 14% | 0.144 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y179 E180 A181 R186 D187 | Y179-G183 PolarHBondContact O-N 2.99Å; Y179-G183 VanDerWaalsContact O-N 3.11Å; E180-G183 PolarHBondContact O-N 2.96Å; E180-G183 VanDerWaalsContact O-N 3.1Å; A181-G183 VanDerWaalsContact C-N 3.3Å; A181-G183 PolarHBondContact O-N 2.87Å; G183-R186 WeakPolarHBondContact O-CB 3.29Å; G183-R186 PolarHBondContact O-N 2.87Å; G183-D187 PolarHBondContact O-N 3.26Å |
| 184 | I | 97.9 | Very high | 98.2 | Very high | 25 Ų | 25 | 32.2 Ų | 32.2 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -46.5 | 178.1 | -72.6 | 160.7 | 0 | 0 | 0 | 111.3 | W141 Y146 L149 E180 A181 R186 D187 L188 | W141-I184 HydrophobicContact CH2-CD1 3.54Å; W141-I184 HydrophobicContact CZ2-CD1 3.36Å; Y146-I184 HydrophobicContact CD2-CD1 4.41Å; Y146-I184 HydrophobicContact CD2-CG1 4.33Å; Y146-I184 HydrophobicContact CD2-CG2 3.74Å; Y146-I184 HydrophobicContact CE2-CG2 4.04Å; L149-I184 HydrophobicContact CD1-CG2 4.2Å; E180-I184 HydrophobicContact CG-CD1 4.37Å; E180-I184 PolarHBondContact O-N 3.19Å; E180-I184 VanDerWaalsContact O-N 3.1Å; A181-I184 PolarHBondContact O-N 3.34Å; I184-R186 VanDerWaalsContact C-N 3.29Å; I184-R186 PolarHBondContact O-N 3.35Å; I184-D187 PolarHBondContact O-N 3.46Å; I184-L188 HydrophobicContact CG2-CD1 3.83Å; I184-L188 HydrophobicContact CG2-CG 4.32Å; I184-L188 WeakPolarHBondContact O-CG 3.27Å; I184-L188 PolarHBondContact O-N 3.38Å |
| 185 | L | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.1 | -36.7 | 179.3 | -68 | -177 | 0 | 0 | 0 | 112.5 | L149 F161 F163 A181 D187 L188 G189 A190 A192 Y476 | L149-L185 HydrophobicContact CD1-CD2 4.14Å; F161-L185 HydrophobicContact CB-CD1 3.99Å; F161-L185 HydrophobicContact CB-CD2 4.45Å; F161-L185 HydrophobicContact CD2-CD1 4.2Å; F161-L185 HydrophobicContact CD2-CD2 3.38Å; F161-L185 HydrophobicContact CD2-CG 4.44Å; F161-L185 HydrophobicContact CE2-CD2 3.8Å; F161-L185 HydrophobicContact CG-CD1 4.44Å; F161-L185 HydrophobicContact CG-CD2 4.03Å; F163-L185 HydrophobicContact CE2-CD1 3.6Å; F163-L185 HydrophobicContact CZ-CD1 4.06Å; A181-L185 WeakPolarHBondContact O-CG 3.19Å; A181-L185 PolarHBondContact O-N 3.13Å; L185-D187 VanDerWaalsContact C-N 3.31Å; L185-D187 PolarHBondContact O-N 3.44Å; L185-L188 PolarHBondContact O-N 3.44Å; L185-G189 PolarHBondContact O-N 2.88Å; L185-A190 HydrophobicContact CB-CB 4.34Å; L185-A190 HydrophobicContact CD2-CB 4.02Å; L185-A190 PolarHBondContact O-N 2.92Å; L185-A192 HydrophobicContact CD1-CB 4.12Å; L185-Y476 PolarHBondContact O-OH 3.21Å |
| 186 | R | 97.6 | Very high | 98.3 | Very high | 66 Ų | 66 | 26.6 Ų | 26.6 | 25% | 0.249 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.4 | -45.6 | 171.9 | 177.2 | -158.1 | 68.3 | -148 | -3.8 | 111.3 | F182 G183 I184 G189 A243 N244 C245 Y476 I479 | F182-R186 WeakPolarHBondContact O-CB 3.15Å; F182-R186 PolarHBondContact O-N 3.14Å; G183-R186 WeakPolarHBondContact O-CB 3.29Å; G183-R186 PolarHBondContact O-N 2.87Å; I184-R186 VanDerWaalsContact C-N 3.29Å; I184-R186 PolarHBondContact O-N 3.35Å; R186-G189 PolarHBondContact O-N 3.12Å; R186-A243 WeakPolarHBondContact CD-O 3.43Å; R186-A243 PolarHBondContact NH1-O 3.22Å; R186-N244 WeakPolarHBondContact CD-O 3.48Å; R186-N244 WeakPolarHBondContact CG-O 3.4Å; R186-C245 HydrophobicContact CB-CB 4.18Å; R186-Y476 WeakPolarHBondContact CA-OH 3.42Å; R186-Y476 WeakPolarHBondContact O-CE1 3.31Å; R186-I479 HydrophobicContact CG-CG2 4.14Å |
| 187 | D | 97.1 | Very high | 98.3 | Very high | 102 Ų | 102 | 22.7 Ų | 22.7 | 55% | 0.545 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -74.3 | -32.1 | -175.6 | -66.6 | -16.6 | 0 | 0 | 0 | 112 | G183 I184 L185 G189 F471 | G183-D187 PolarHBondContact O-N 3.26Å; I184-D187 PolarHBondContact O-N 3.46Å; L185-D187 VanDerWaalsContact C-N 3.31Å; L185-D187 PolarHBondContact O-N 3.44Å; D187-G189 VanDerWaalsContact C-N 3.29Å; D187-F471 WeakPolarHBondContact O-CZ 3.49Å |
| 188 | L | 98.1 | Very high | 98.3 | Very high | 12 Ų | 12 | 21.1 Ų | 21.1 | 6% | 0.063 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -75 | -17 | 171.2 | -66.8 | 177 | 0 | 0 | 0 | 113.2 | L149 E150 V153 I184 L185 A470 F471 | L149-L188 HydrophobicContact CB-CD1 3.87Å; E150-L188 HydrophobicContact CB-CD2 4.07Å; E150-L188 HydrophobicContact CG-CD2 4.08Å; V153-L188 HydrophobicContact CG1-CB 4.38Å; V153-L188 WeakPolarHBondContact CG1-O 3.27Å; V153-L188 HydrophobicContact CG2-CB 4.38Å; V153-L188 HydrophobicContact CG2-CD1 4.48Å; I184-L188 HydrophobicContact CG2-CD1 3.83Å; I184-L188 HydrophobicContact CG2-CG 4.32Å; I184-L188 WeakPolarHBondContact O-CG 3.27Å; I184-L188 PolarHBondContact O-N 3.38Å; L185-L188 PolarHBondContact O-N 3.44Å; L188-A470 WeakPolarHBondContact O-CB 3.42Å; L188-F471 WeakPolarHBondContact O-CE2 3.31Å |
| 189 | G | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 22.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L185 R186 D187 F471 Y476 | L185-G189 PolarHBondContact O-N 2.88Å; R186-G189 PolarHBondContact O-N 3.12Å; D187-G189 VanDerWaalsContact C-N 3.29Å; G189-F471 VanDerWaalsContact CA-CD1 3.46Å; G189-F471 PolarHBondContact O-N 2.9Å; G189-Y476 VanDerWaalsContact C-CE2 3.47Å; G189-Y476 VanDerWaalsContact C-CZ 3.4Å; G189-Y476 VanDerWaalsContact C-OH 3.23Å; G189-Y476 VanDerWaalsContact CA-CZ 3.42Å; G189-Y476 WeakPolarHBondContact CA-OH 3.24Å; G189-Y476 VanDerWaalsContact O-CE2 3.29Å; G189-Y476 WeakPolarHBondContact O-CE2 3.13Å |
| 190 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | P | Polyproline II helix | trans | -99.1 | 165.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V153 N159 F161 L185 Y476 | V153-A190 HydrophobicContact CG2-CB 4.19Å; N159-A190 CarbonylContact O-C 3.54Å; N159-A190 VanDerWaalsContact O-CA 3.29Å; N159-A190 WeakPolarHBondContact O-CA 3.48Å; F161-A190 HydrophobicContact CD2-CB 3.93Å; F161-A190 HydrophobicContact CE2-CB 3.76Å; L185-A190 HydrophobicContact CB-CB 4.34Å; L185-A190 HydrophobicContact CD2-CB 4.02Å; L185-A190 PolarHBondContact O-N 2.92Å; A190-Y476 PolarHBondContact N-OH 2.64Å; A190-Y476 PolarHBondContact O-OH 2.87Å |
| 191 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.9 | 179.2 | -58.9 | 176.6 | 0 | 0 | 0 | 108.9 | N159 S160 F161 V388 F389 P472 V475 | N159-I191 PolarHBondContact O-N 3.25Å; S160-I191 VanDerWaalsContact CA-O 3.29Å; S160-I191 WeakPolarHBondContact CA-O 3.45Å; F161-I191 PolarHBondContact N-O 3.14Å; I191-V388 HydrophobicContact CD1-CG1 3.59Å; I191-V388 WeakPolarHBondContact CD1-O 3.33Å; I191-F389 HydrophobicContact CD1-CD1 4.35Å; I191-F389 HydrophobicContact CD1-CE1 4.42Å; I191-P472 HydrophobicContact CD1-CG 4.01Å; I191-P472 HydrophobicContact CG1-CG 4.36Å; I191-V475 HydrophobicContact CD1-CG1 4.46Å; I191-V475 HydrophobicContact CD1-CG2 3.97Å; I191-V475 HydrophobicContact CG1-CG1 4.4Å |
| 192 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 124.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | F182 L185 P246 L247 Y248 | F182-A192 HydrophobicContact CD1-CB 3.5Å; F182-A192 VanDerWaalsContact CD1-CB 3.5Å; F182-A192 HydrophobicContact CE1-CB 3.54Å; F182-A192 HydrophobicContact CG-CB 4.14Å; F182-A192 HydrophobicContact CZ-CB 4.18Å; L185-A192 HydrophobicContact CD1-CB 4.12Å; A192-P246 PolarHBondContact N-O 3.4Å; A192-L247 HydrophobicContact CB-CD1 4.31Å; A192-L247 CarbonylContact O-C 3.41Å; A192-L247 WeakPolarHBondContact O-CA 3.47Å; A192-Y248 PolarHBondContact O-N 3.33Å |
| 193 | Q | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 149.6 | 167.6 | -71.4 | 173 | -25.8 | 0 | 0 | 109.5 | H135 F161 L162 F163 Y248 T250 | H135-Q193 PolarHBondContact CE1-NE2 2.88Å; H135-Q193 PolarHBondContact ND1-NE2 2.82Å; H135-Q193 VanDerWaalsContact ND1-NE2 3.19Å; H135-Q193 PolarHBondContact ND1-OE1 2.88Å; H135-Q193 PolarHBondContact NE2-NE2 3.13Å; F161-Q193 PolarHBondContact O-N 3.05Å; L162-Q193 WeakPolarHBondContact CA-O 3.29Å; L162-Q193 HydrophobicContact CB-CB 4.11Å; L162-Q193 HydrophobicContact CD1-CB 3.57Å; L162-Q193 HydrophobicContact CG-CB 4.46Å; F163-Q193 PolarHBondContact N-O 3.08Å; Q193-Y248 CarbonylContact C-O 3.49Å; Q193-Y248 WeakPolarHBondContact CA-O 3.08Å; Q193-Y248 HydrophobicContact CG-CD1 3.85Å; Q193-Y248 HydrophobicContact CG-CG 4.09Å; Q193-T250 HydrophobicContact CB-CG2 4.19Å; Q193-T250 HydrophobicContact CG-CG2 4.34Å |
| 194 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.5 | 172.8 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | F163 F182 A196 A236 L247 Y248 V249 T250 | F163-V194 WeakPolarHBondContact O-CA 3.25Å; F182-V194 HydrophobicContact CE1-CG1 4.43Å; F182-V194 HydrophobicContact CZ-CG1 3.71Å; V194-A196 HydrophobicContact CB-CB 4.42Å; V194-A196 HydrophobicContact CG2-CB 4.04Å; V194-A236 HydrophobicContact CG1-CB 4.31Å; V194-A236 HydrophobicContact CG2-CB 3.97Å; V194-L247 HydrophobicContact CB-CD1 4.46Å; V194-L247 HydrophobicContact CG1-CD1 3.82Å; V194-L247 HydrophobicContact CG2-CD1 3.86Å; V194-L247 HydrophobicContact CG2-CD2 4.42Å; V194-L247 HydrophobicContact CG2-CG 4.31Å; V194-Y248 PolarHBondContact N-O 2.86Å; V194-V249 HydrophobicContact CG2-CG2 4.12Å; V194-T250 PolarHBondContact O-N 3.31Å; V194-T250 VanDerWaalsContact O-N 3.17Å; V194-T250 PolarHBondContact O-OG1 3.01Å; V194-T250 VanDerWaalsContact O-OG1 3.1Å |
| 195 | H | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 103 | 157.1 | 172.4 | 73.6 | 0 | 0 | 0 | 107.3 | L162 F163 F164 M165 Y167 E197 K251 S301 | L162-H195 HydrophobicContact CD1-CB 4.37Å; F163-H195 PolarHBondContact O-N 3.34Å; F164-H195 HydrophobicContact CD1-CB 3.78Å; F164-H195 AromaticContact CD1-CD2 3.87Å; F164-H195 HydrophobicContact CE1-CB 4.25Å; M165-H195 PolarHBondContact N-O 3.17Å; Y167-H195 AromaticContact CE2-CD2 3.64Å; Y167-H195 AromaticContact CE2-NE2 3.6Å; Y167-H195 AromaticContact CZ-NE2 3.87Å; H195-E197 IonicContact CE1-OE2 3.72Å; H195-E197 PolarHBondContact CE1-OE2 3.25Å; H195-E197 IonicContact NE2-OE2 2.98Å; H195-E197 PolarHBondContact NE2-OE2 2.84Å; H195-K251 PolarHBondContact ND1-NZ 2.97Å; H195-S301 PolarHBondContact CE1-O 2.81Å |
| 196 | A | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | trans | -107.8 | 83.7 | -161.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M165 V194 E229 A232 V233 V249 | M165-A196 HydrophobicContact SD-CB 4.11Å; V194-A196 HydrophobicContact CB-CB 4.42Å; V194-A196 HydrophobicContact CG2-CB 4.04Å; A196-E229 WeakPolarHBondContact O-CA 3.45Å; A196-A232 VanDerWaalsContact C-CB 3.42Å; A196-A232 HydrophobicContact CB-CB 4.1Å; A196-V233 HydrophobicContact CB-CG2 3.66Å; A196-V249 HydrophobicContact CB-CG1 4.47Å | ||
| 197 | E | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -129.8 | 155 | 163.8 | -59.9 | 172.6 | 79.3 | 0 | 0 | 109.2 | M165 A166 H195 G199 I202 H224 E229 A232 S301 P302 | M165-E197 CarbonylContact C-O 3.52Å; M165-E197 VanDerWaalsContact CB-O 3.3Å; M165-E197 WeakPolarHBondContact CB-O 3.34Å; A166-E197 HydrophobicContact CB-CB 4.12Å; A166-E197 PolarHBondContact N-O 2.96Å; H195-E197 IonicContact CE1-OE2 3.72Å; H195-E197 PolarHBondContact CE1-OE2 3.25Å; H195-E197 IonicContact NE2-OE2 2.98Å; H195-E197 PolarHBondContact NE2-OE2 2.84Å; E197-G199 PolarHBondContact O-N 2.64Å; E197-I202 HydrophobicContact CB-CD1 3.51Å; E197-I202 HydrophobicContact CG-CD1 4.41Å; E197-H224 IonicContact OE1-CE1 3.79Å; E197-H224 IonicContact OE1-CG 2.99Å; E197-H224 IonicContact OE1-ND1 3.85Å; E197-H224 PolarHBondContact OE1-ND1 3.19Å; E197-E229 HydrophobicContact CG-CB 4.41Å; E197-A232 VanDerWaalsContact C-CB 3.45Å; E197-S301 PolarHBondContact OE2-OG 3.37Å; E197-P302 VanDerWaalsContact CD-CA 3.49Å; E197-P302 HydrophobicContact CG-CB 4.06Å; E197-P302 HydrophobicContact CG-CG 3.81Å; E197-P302 WeakPolarHBondContact OE2-CA 3.45Å; E197-P302 WeakPolarHBondContact OE2-CG 3.39Å; E197-P302 VanDerWaalsContact OE2-N 3.16Å |
| 198 | N | 98.8 | Very high | 98.6 | Very high | 20 Ų | 20 | 30.2 Ų | 30.2 | 11% | 0.107 | 15% | 0.145 | C | C | . | . | trans | -79.2 | 97.7 | 177.2 | -170.2 | -51.1 | 0 | 0 | 0 | 110.9 | D200 I201 I202 V228 E231 | N198-D200 VanDerWaalsContact C-N 3.28Å; N198-D200 PolarHBondContact O-N 2.7Å; N198-D200 PolarHBondContact OD1-N 2.93Å; N198-I201 HydrophobicContact CB-CB 4.4Å; N198-I201 HydrophobicContact CB-CD1 4.21Å; N198-I201 HydrophobicContact CB-CG1 4.44Å; N198-I201 PolarHBondContact O-N 2.95Å; N198-I201 PolarHBondContact OD1-N 2.92Å; N198-I201 VanDerWaalsContact OD1-N 3.14Å; N198-I202 WeakPolarHBondContact O-CG1 3.1Å; N198-I202 PolarHBondContact O-N 2.9Å; N198-I202 VanDerWaalsContact O-N 3.11Å; N198-V228 HydrophobicContact CB-CB 4.11Å; N198-V228 PolarHBondContact N-O 2.91Å; N198-E231 PolarHBondContact ND2-OE2 3.48Å | ||
| 199 | G | 98.4 | Very high | 98.6 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -29.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | M165 E197 D203 | M165-G199 PolarHBondContact O-N 2.81Å; E197-G199 PolarHBondContact O-N 2.64Å; G199-D203 WeakPolarHBondContact O-CB 3.44Å; G199-D203 PolarHBondContact O-N 3.24Å; G199-D203 VanDerWaalsContact O-N 3.1Å |
| 200 | D | 98.6 | Very high | 98.6 | Very high | 71 Ų | 71 | 32.8 Ų | 32.8 | 38% | 0.38 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -70.5 | -43.1 | 177.9 | -72.1 | -70.9 | 0 | 0 | 0 | 112.2 | K168 Q172 N198 E204 | K168-D200 WeakPolarHBondContact CD-OD1 3.23Å; K168-D200 WeakPolarHBondContact CE-OD1 3.38Å; K168-D200 IonicContact NZ-OD1 3.84Å; K168-D200 PolarHBondContact NZ-OD1 3.02Å; Q172-D200 PolarHBondContact NE2-OD2 3.03Å; N198-D200 VanDerWaalsContact C-N 3.28Å; N198-D200 PolarHBondContact O-N 2.7Å; N198-D200 PolarHBondContact OD1-N 2.93Å; D200-E204 WeakPolarHBondContact O-CG 3.24Å; D200-E204 PolarHBondContact O-N 3.23Å |
| 201 | I | 98.6 | Very high | 98.6 | Very high | 76 Ų | 76 | 37.4 Ų | 37.4 | 39% | 0.39 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -69.1 | -41.8 | 177.9 | -64.1 | 173.3 | 0 | 0 | 0 | 110.4 | N198 D203 E204 E205 V228 | N198-I201 HydrophobicContact CB-CB 4.4Å; N198-I201 HydrophobicContact CB-CD1 4.21Å; N198-I201 HydrophobicContact CB-CG1 4.44Å; N198-I201 PolarHBondContact O-N 2.95Å; N198-I201 PolarHBondContact OD1-N 2.92Å; N198-I201 VanDerWaalsContact OD1-N 3.14Å; I201-D203 PolarHBondContact O-N 3.43Å; I201-E204 PolarHBondContact O-N 3.05Å; I201-E205 HydrophobicContact CG2-CG 4.31Å; I201-E205 PolarHBondContact O-N 3.33Å; I201-V228 HydrophobicContact CB-CG1 3.95Å; I201-V228 HydrophobicContact CD1-CG1 4.39Å; I201-V228 HydrophobicContact CG2-CG1 3.56Å |
| 202 | I | 98.6 | Very high | 98.6 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 5% | 0.046 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.7 | -51.6 | 176.5 | -74.5 | 165 | 0 | 0 | 0 | 110.7 | A166 E197 N198 E204 E205 Q206 H224 V228 | A166-I202 HydrophobicContact CB-CD1 4.45Å; E197-I202 HydrophobicContact CB-CD1 3.51Å; E197-I202 HydrophobicContact CG-CD1 4.41Å; N198-I202 WeakPolarHBondContact O-CG1 3.1Å; N198-I202 PolarHBondContact O-N 2.9Å; N198-I202 VanDerWaalsContact O-N 3.11Å; I202-E204 VanDerWaalsContact C-N 3.33Å; I202-E204 PolarHBondContact O-N 3.12Å; I202-E205 PolarHBondContact O-N 3.19Å; I202-Q206 HydrophobicContact CG2-CG 4.2Å; I202-Q206 WeakPolarHBondContact O-CB 3.38Å; I202-Q206 VanDerWaalsContact O-CG 3.24Å; I202-Q206 WeakPolarHBondContact O-CG 3.31Å; I202-Q206 PolarHBondContact O-N 2.66Å; I202-H224 WeakPolarHBondContact CD1-ND1 3.38Å; I202-H224 VanDerWaalsContact CG2-NE2 3.26Å; I202-H224 WeakPolarHBondContact CG2-NE2 3.49Å; I202-V228 HydrophobicContact CD1-CG2 4.25Å; I202-V228 HydrophobicContact CG1-CG2 4.11Å |
| 203 | D | 98.5 | Very high | 98.6 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | -178.6 | 172.4 | 63.6 | 0 | 0 | 0 | 112.4 | K168 G199 I201 K207 | K168-D203 HydrophobicContact CB-CB 4.26Å; K168-D203 HydrophobicContact CD-CB 3.92Å; K168-D203 IonicContact NZ-OD2 3.79Å; G199-D203 WeakPolarHBondContact O-CB 3.44Å; G199-D203 PolarHBondContact O-N 3.24Å; G199-D203 VanDerWaalsContact O-N 3.1Å; I201-D203 PolarHBondContact O-N 3.43Å; D203-K207 VanDerWaalsContact CG-NZ 3.29Å; D203-K207 WeakPolarHBondContact O-CD 3.34Å; D203-K207 VanDerWaalsContact O-CG 3.31Å; D203-K207 WeakPolarHBondContact O-CG 3.43Å; D203-K207 PolarHBondContact O-N 2.86Å; D203-K207 VanDerWaalsContact OD1-CE 3.28Å; D203-K207 WeakPolarHBondContact OD1-CE 3.45Å; D203-K207 IonicContact OD1-NZ 3.68Å; D203-K207 PolarHBondContact OD1-NZ 2.98Å; D203-K207 WeakPolarHBondContact OD2-CE 3.32Å; D203-K207 IonicContact OD2-NZ 3.69Å; D203-K207 PolarHBondContact OD2-NZ 3.04Å |
| 204 | E | 98.5 | Very high | 98.6 | Very high | 106 Ų | 106 | 47.1 Ų | 47.1 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.6 | -41.9 | 176.5 | -68.3 | -60.6 | 143.5 | 0 | 0 | 112.7 | D200 I201 I202 K207 K208 | D200-E204 WeakPolarHBondContact O-CG 3.24Å; D200-E204 PolarHBondContact O-N 3.23Å; I201-E204 PolarHBondContact O-N 3.05Å; I202-E204 VanDerWaalsContact C-N 3.33Å; I202-E204 PolarHBondContact O-N 3.12Å; E204-K207 PolarHBondContact O-N 3.19Å; E204-K207 IonicContact OE1-NZ 2.78Å; E204-K208 WeakPolarHBondContact O-CB 3.48Å; E204-K208 PolarHBondContact O-N 3.13Å |
| 205 | E | 98.5 | Very high | 98.6 | Very high | 51 Ų | 51 | 49.8 Ų | 49.8 | 24% | 0.238 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 177.8 | -74.1 | -63.7 | 147.3 | 0 | 0 | 112.1 | I201 I202 K208 L209 | I201-E205 HydrophobicContact CG2-CG 4.31Å; I201-E205 PolarHBondContact O-N 3.33Å; I202-E205 PolarHBondContact O-N 3.19Å; E205-K208 PolarHBondContact O-N 3.47Å; E205-K208 IonicContact OE1-NZ 3.66Å; E205-K208 PolarHBondContact OE1-NZ 3.24Å; E205-K208 IonicContact OE2-NZ 2.66Å; E205-K208 PolarHBondContact OE2-NZ 2.86Å; E205-L209 WeakPolarHBondContact O-CB 3.4Å; E205-L209 VanDerWaalsContact O-CG 3.3Å; E205-L209 WeakPolarHBondContact O-CG 3.12Å; E205-L209 PolarHBondContact O-N 2.98Å |
| 206 | Q | 98.5 | Very high | 98.6 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.2 | -50.8 | 173 | -75.5 | 179.8 | -8.5 | 0 | 0 | 111.3 | I202 K208 L209 L210 S223 H224 F345 T346 | I202-Q206 HydrophobicContact CG2-CG 4.2Å; I202-Q206 WeakPolarHBondContact O-CB 3.38Å; I202-Q206 VanDerWaalsContact O-CG 3.24Å; I202-Q206 WeakPolarHBondContact O-CG 3.31Å; I202-Q206 PolarHBondContact O-N 2.66Å; Q206-K208 VanDerWaalsContact C-N 3.31Å; Q206-K208 PolarHBondContact O-N 2.99Å; Q206-L209 PolarHBondContact O-N 3.12Å; Q206-L210 WeakPolarHBondContact O-CG 3.45Å; Q206-L210 PolarHBondContact O-N 2.87Å; Q206-L210 VanDerWaalsContact O-N 3.07Å; Q206-S223 WeakPolarHBondContact CG-OG 3.43Å; Q206-H224 PolarHBondContact NE2-NE2 3.1Å; Q206-F345 HydrophobicContact CB-CZ 4.42Å; Q206-F345 HydrophobicContact CG-CE2 3.96Å; Q206-F345 HydrophobicContact CG-CZ 4.2Å; Q206-T346 HydrophobicContact CB-CG2 3.98Å; Q206-T346 HydrophobicContact CG-CG2 4.02Å |
| 207 | K | 98.5 | Very high | 98.6 | Very high | 105 Ų | 105 | 50.2 Ų | 50.2 | 46% | 0.457 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.8 | -44 | 176.1 | -70.8 | 163.9 | -177.2 | 161.9 | 0 | 111.9 | D203 E204 S211 | D203-K207 VanDerWaalsContact CG-NZ 3.29Å; D203-K207 WeakPolarHBondContact O-CD 3.34Å; D203-K207 VanDerWaalsContact O-CG 3.31Å; D203-K207 WeakPolarHBondContact O-CG 3.43Å; D203-K207 PolarHBondContact O-N 2.86Å; D203-K207 VanDerWaalsContact OD1-CE 3.28Å; D203-K207 WeakPolarHBondContact OD1-CE 3.45Å; D203-K207 IonicContact OD1-NZ 3.68Å; D203-K207 PolarHBondContact OD1-NZ 2.98Å; D203-K207 WeakPolarHBondContact OD2-CE 3.32Å; D203-K207 IonicContact OD2-NZ 3.69Å; D203-K207 PolarHBondContact OD2-NZ 3.04Å; E204-K207 PolarHBondContact O-N 3.19Å; E204-K207 IonicContact OE1-NZ 2.78Å; K207-S211 WeakPolarHBondContact O-CB 3.21Å; K207-S211 PolarHBondContact O-N 3.17Å |
| 208 | K | 98.6 | Very high | 98.5 | Very high | 110 Ų | 110 | 52.8 Ų | 52.8 | 48% | 0.478 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 179.9 | 173.9 | 177.5 | 153.8 | -138.5 | 0 | 111.9 | E204 E205 Q206 S211 V212 | E204-K208 WeakPolarHBondContact O-CB 3.48Å; E204-K208 PolarHBondContact O-N 3.13Å; E205-K208 PolarHBondContact O-N 3.47Å; E205-K208 IonicContact OE1-NZ 3.66Å; E205-K208 PolarHBondContact OE1-NZ 3.24Å; E205-K208 IonicContact OE2-NZ 2.66Å; E205-K208 PolarHBondContact OE2-NZ 2.86Å; Q206-K208 VanDerWaalsContact C-N 3.31Å; Q206-K208 PolarHBondContact O-N 2.99Å; K208-S211 PolarHBondContact O-N 2.89Å; K208-S211 PolarHBondContact O-OG 2.88Å; K208-V212 PolarHBondContact O-N 2.94Å |
| 209 | L | 98.7 | Very high | 98.5 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | -179.7 | -70.7 | 171 | 0 | 0 | 0 | 111.8 | E205 Q206 S211 V212 G213 I214 G219 L222 F345 | E205-L209 WeakPolarHBondContact O-CB 3.4Å; E205-L209 VanDerWaalsContact O-CG 3.3Å; E205-L209 WeakPolarHBondContact O-CG 3.12Å; E205-L209 PolarHBondContact O-N 2.98Å; Q206-L209 PolarHBondContact O-N 3.12Å; L209-S211 VanDerWaalsContact C-N 3.31Å; L209-S211 PolarHBondContact O-N 3.19Å; L209-V212 WeakPolarHBondContact O-CG2 3.36Å; L209-V212 PolarHBondContact O-N 3.34Å; L209-G213 PolarHBondContact O-N 3.05Å; L209-I214 HydrophobicContact CB-CB 4.3Å; L209-I214 HydrophobicContact CD2-CD1 3.69Å; L209-I214 PolarHBondContact O-N 2.91Å; L209-G219 WeakPolarHBondContact CD1-O 3.45Å; L209-L222 HydrophobicContact CD1-CB 3.68Å; L209-L222 HydrophobicContact CD2-CB 4.3Å; L209-L222 HydrophobicContact CD2-CD1 4.49Å; L209-F345 HydrophobicContact CB-CE1 4.2Å; L209-F345 HydrophobicContact CB-CZ 4.28Å; L209-F345 HydrophobicContact CD1-CZ 4.33Å |
| 210 | L | 98.7 | Very high | 98.5 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 27% | 0.272 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 173.9 | -68.9 | 173.2 | 0 | 0 | 0 | 111.8 | Q206 V212 G213 T215 F345 T346 | Q206-L210 WeakPolarHBondContact O-CG 3.45Å; Q206-L210 PolarHBondContact O-N 2.87Å; Q206-L210 VanDerWaalsContact O-N 3.07Å; L210-V212 PolarHBondContact O-N 3.15Å; L210-G213 PolarHBondContact O-N 3.22Å; L210-T215 HydrophobicContact CD2-CG2 4.09Å; L210-F345 HydrophobicContact CD2-CD1 4.07Å; L210-F345 HydrophobicContact CD2-CE1 3.83Å; L210-F345 HydrophobicContact CG-CE1 4.02Å; L210-T346 HydrophobicContact CD1-CG2 3.85Å |
| 211 | S | 98.4 | Very high | 98.5 | Very high | 96 Ų | 96 | 48.8 Ų | 48.8 | 67% | 0.671 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.4 | -24.9 | -180 | 79.7 | 0 | 0 | 0 | 0 | 114.3 | K207 K208 L209 | K207-S211 WeakPolarHBondContact O-CB 3.21Å; K207-S211 PolarHBondContact O-N 3.17Å; K208-S211 PolarHBondContact O-N 2.89Å; K208-S211 PolarHBondContact O-OG 2.88Å; L209-S211 VanDerWaalsContact C-N 3.31Å; L209-S211 PolarHBondContact O-N 3.19Å |
| 212 | V | 98.4 | Very high | 98.5 | Very high | 99 Ų | 99 | 48.7 Ų | 48.7 | 60% | 0.6 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 8 | 175.8 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | K208 L209 L210 I214 | K208-V212 PolarHBondContact O-N 2.94Å; L209-V212 WeakPolarHBondContact O-CG2 3.36Å; L209-V212 PolarHBondContact O-N 3.34Å; L210-V212 PolarHBondContact O-N 3.15Å; V212-I214 HydrophobicContact CG2-CD1 3.94Å; V212-I214 HydrophobicContact CG2-CG1 4.13Å |
| 213 | G | 98.3 | Very high | 98.5 | Very high | 56 Ų | 56 | 48.3 Ų | 48.3 | 58% | 0.577 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 14.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L209 L210 T215 | L209-G213 PolarHBondContact O-N 3.05Å; L210-G213 PolarHBondContact O-N 3.22Å; G213-T215 PolarHBondContact O-N 2.94Å |
| 214 | I | 98.7 | Very high | 98.4 | Very high | 50 Ų | 50 | 47 Ų | 47 | 26% | 0.256 | 26% | 0.261 | S | S | . | . | trans | -85.5 | 103.9 | 172.2 | -62.1 | 169.1 | 0 | 0 | 0 | 107.6 | L209 V212 E218 F345 | L209-I214 HydrophobicContact CB-CB 4.3Å; L209-I214 HydrophobicContact CD2-CD1 3.69Å; L209-I214 PolarHBondContact O-N 2.91Å; V212-I214 HydrophobicContact CG2-CD1 3.94Å; V212-I214 HydrophobicContact CG2-CG1 4.13Å; I214-E218 HydrophobicContact CG2-CG 4.16Å; I214-F345 WeakPolarHBondContact O-CE1 3.09Å | ||
| 215 | T | 98.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 34% | 0.344 | 25% | 0.251 | S | S | . | . | trans | -118.6 | -9.1 | -175.7 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | L210 G213 D343 F345 | L210-T215 HydrophobicContact CD2-CG2 4.09Å; G213-T215 PolarHBondContact O-N 2.94Å; T215-D343 VanDerWaalsContact CB-O 3.26Å; T215-D343 WeakPolarHBondContact CB-O 3.41Å; T215-D343 WeakPolarHBondContact CG2-O 3.2Å; T215-F345 PolarHBondContact O-N 3.32Å | ||
| 216 | G | 98.6 | Very high | 98.3 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 9% | 0.093 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -80.9 | 172.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E218 G219 F345 | G216-E218 VanDerWaalsContact CA-OE2 3.27Å; G216-E218 WeakPolarHBondContact CA-OE2 3.29Å; G216-E218 PolarHBondContact O-N 3.14Å; G216-E218 VanDerWaalsContact O-N 3.1Å; G216-G219 PolarHBondContact O-N 3.04Å; G216-F345 VanDerWaalsContact O-CB 3.28Å; G216-F345 WeakPolarHBondContact O-CB 3.21Å |
| 217 | P | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.019 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.3 | -178.8 | -27.3 | 37.5 | 0 | 0 | 0 | 115 | G219 H220 Y287 A295 A296 V299 I348 | P217-G219 PolarHBondContact O-N 3.35Å; P217-H220 WeakPolarHBondContact O-CB 3.32Å; P217-H220 PolarHBondContact O-N 3.08Å; P217-Y287 HydrophobicContact CB-CD1 4.35Å; P217-A295 HydrophobicContact CB-CB 3.92Å; P217-A295 HydrophobicContact CG-CB 3.77Å; P217-A296 HydrophobicContact CG-CB 4.09Å; P217-V299 HydrophobicContact CB-CG2 3.94Å; P217-I348 HydrophobicContact CG-CD1 4.09Å |
| 218 | E | 98.5 | Very high | 98.3 | Very high | 54 Ų | 54 | 44.1 Ų | 44.1 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.8 | -29.9 | 171.2 | 72.7 | -70.7 | 172.6 | 0 | 0 | 112.6 | I214 G216 H220 V221 L222 W288 | I214-E218 HydrophobicContact CG2-CG 4.16Å; G216-E218 VanDerWaalsContact CA-OE2 3.27Å; G216-E218 WeakPolarHBondContact CA-OE2 3.29Å; G216-E218 PolarHBondContact O-N 3.14Å; G216-E218 VanDerWaalsContact O-N 3.1Å; E218-H220 PolarHBondContact O-N 3.35Å; E218-V221 WeakPolarHBondContact O-CG1 3.36Å; E218-L222 WeakPolarHBondContact O-CB 3.4Å; E218-L222 WeakPolarHBondContact O-CD1 3.38Å; E218-L222 WeakPolarHBondContact O-CG 3.47Å; E218-L222 PolarHBondContact O-N 3.33Å; E218-L222 VanDerWaalsContact O-N 3.1Å; E218-W288 HydrophobicContact CB-CD2 4.35Å; E218-W288 HydrophobicContact CB-CG 4.42Å; E218-W288 HydrophobicContact CB-CZ2 4.41Å |
| 219 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -30.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L209 G216 P217 S223 F345 | L209-G219 WeakPolarHBondContact CD1-O 3.45Å; G216-G219 PolarHBondContact O-N 3.04Å; P217-G219 PolarHBondContact O-N 3.35Å; G219-S223 WeakPolarHBondContact O-CB 3.32Å; G219-S223 PolarHBondContact O-N 3.37Å; G219-S223 PolarHBondContact O-OG 3.23Å; G219-F345 VanDerWaalsContact C-CE2 3.41Å; G219-F345 WeakPolarHBondContact O-CE2 3.41Å; G219-F345 WeakPolarHBondContact O-CZ 3.47Å |
| 220 | H | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.6 | -54.9 | 177.9 | -177.8 | 71.2 | 0 | 0 | 0 | 111.2 | P217 E218 L222 S223 H224 M300 F345 | P217-H220 WeakPolarHBondContact O-CB 3.32Å; P217-H220 PolarHBondContact O-N 3.08Å; E218-H220 PolarHBondContact O-N 3.35Å; H220-L222 VanDerWaalsContact C-N 3.31Å; H220-L222 PolarHBondContact O-N 2.93Å; H220-S223 PolarHBondContact O-N 2.54Å; H220-S223 PolarHBondContact O-OG 2.81Å; H220-H224 AromaticContact CE1-NE2 3.81Å; H220-H224 PolarHBondContact O-CD2 2.85Å; H220-H224 PolarHBondContact O-N 2.83Å; H220-M300 PolarHBondContact NE2-O 2.93Å; H220-F345 VanDerWaalsContact CA-CD2 3.46Å; H220-F345 HydrophobicContact CB-CD2 3.79Å; H220-F345 HydrophobicContact CB-CE2 4.43Å; H220-F345 HydrophobicContact CB-CG 4.47Å; H220-F345 VanDerWaalsContact N-CD2 3.32Å |
| 221 | V | 97.9 | Very high | 98.3 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.1 | -33 | 179.2 | 64 | 0 | 0 | 0 | 0 | 112.4 | E218 S223 H224 Y287 W288 P303 P306 | E218-V221 WeakPolarHBondContact O-CG1 3.36Å; V221-S223 VanDerWaalsContact C-N 3.34Å; V221-S223 PolarHBondContact O-N 3.18Å; V221-H224 CarbonylContact O-C 3.58Å; V221-H224 PolarHBondContact O-N 2.96Å; V221-Y287 HydrophobicContact CB-CD2 3.53Å; V221-Y287 HydrophobicContact CB-CE2 3.79Å; V221-Y287 HydrophobicContact CB-CG 4.11Å; V221-Y287 HydrophobicContact CG1-CD2 3.58Å; V221-Y287 HydrophobicContact CG1-CE2 4.35Å; V221-Y287 HydrophobicContact CG1-CG 3.85Å; V221-Y287 HydrophobicContact CG2-CD2 3.9Å; V221-Y287 HydrophobicContact CG2-CE2 3.98Å; V221-W288 HydrophobicContact CG1-CH2 3.55Å; V221-W288 HydrophobicContact CG1-CZ2 4.22Å; V221-W288 HydrophobicContact CG1-CZ3 3.87Å; V221-P303 HydrophobicContact CB-CB 4.11Å; V221-P303 HydrophobicContact CB-CG 4.5Å; V221-P303 HydrophobicContact CG2-CB 3.98Å; V221-P303 HydrophobicContact CG2-CG 4.1Å; V221-P306 HydrophobicContact CG2-CG 3.67Å |
| 222 | L | 98.3 | Very high | 98.3 | Very high | 74 Ų | 74 | 36.1 Ų | 36.1 | 39% | 0.387 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.9 | -28.2 | 177.1 | -72 | 172.3 | 0 | 0 | 0 | 113.4 | L209 E218 H220 H224 W288 | L209-L222 HydrophobicContact CD1-CB 3.68Å; L209-L222 HydrophobicContact CD2-CB 4.3Å; L209-L222 HydrophobicContact CD2-CD1 4.49Å; E218-L222 WeakPolarHBondContact O-CB 3.4Å; E218-L222 WeakPolarHBondContact O-CD1 3.38Å; E218-L222 WeakPolarHBondContact O-CG 3.47Å; E218-L222 PolarHBondContact O-N 3.33Å; E218-L222 VanDerWaalsContact O-N 3.1Å; H220-L222 VanDerWaalsContact C-N 3.31Å; H220-L222 PolarHBondContact O-N 2.93Å; L222-H224 VanDerWaalsContact C-N 3.33Å; L222-W288 HydrophobicContact CD2-CZ2 4.28Å; L222-W288 HydrophobicContact CG-CZ2 4.33Å |
| 223 | S | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -83.3 | -11.1 | 174.5 | 45.1 | 0 | 0 | 0 | 0 | 113.6 | Q206 G219 H220 V221 P225 F345 | Q206-S223 WeakPolarHBondContact CG-OG 3.43Å; G219-S223 WeakPolarHBondContact O-CB 3.32Å; G219-S223 PolarHBondContact O-N 3.37Å; G219-S223 PolarHBondContact O-OG 3.23Å; H220-S223 PolarHBondContact O-N 2.54Å; H220-S223 PolarHBondContact O-OG 2.81Å; V221-S223 VanDerWaalsContact C-N 3.34Å; V221-S223 PolarHBondContact O-N 3.18Å; S223-P225 WeakPolarHBondContact O-CD 3.38Å; S223-F345 WeakPolarHBondContact OG-CE2 3.14Å |
| 224 | H | 97.9 | Very high | 98.3 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.032 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -122.6 | 56.6 | 179.4 | -68.4 | -124.2 | 0 | 0 | 0 | 111.2 | E197 I202 Q206 H220 V221 L222 S301 P303 | E197-H224 IonicContact OE1-CE1 3.79Å; E197-H224 IonicContact OE1-CG 2.99Å; E197-H224 IonicContact OE1-ND1 3.85Å; E197-H224 PolarHBondContact OE1-ND1 3.19Å; I202-H224 WeakPolarHBondContact CD1-ND1 3.38Å; I202-H224 VanDerWaalsContact CG2-NE2 3.26Å; I202-H224 WeakPolarHBondContact CG2-NE2 3.49Å; Q206-H224 PolarHBondContact NE2-NE2 3.1Å; H220-H224 AromaticContact CE1-NE2 3.81Å; H220-H224 PolarHBondContact O-CD2 2.85Å; H220-H224 PolarHBondContact O-N 2.83Å; V221-H224 CarbonylContact O-C 3.58Å; V221-H224 PolarHBondContact O-N 2.96Å; L222-H224 VanDerWaalsContact C-N 3.33Å; H224-S301 PolarHBondContact CE1-OG 3.24Å; H224-S301 PolarHBondContact ND1-OG 2.89Å; H224-P303 HydrophobicContact CB-CG 3.6Å; H224-P303 WeakPolarHBondContact O-CG 3.46Å |
| 225 | P | 95.8 | Very high | 98.4 | Very high | 46 Ų | 46 | 35.1 Ų | 35.1 | 30% | 0.299 | 17% | 0.173 | S | C | . | . | trans | -64.8 | 151.9 | 179.8 | 32.4 | -37.8 | 0 | 0 | 0 | 110.8 | S223 E227 V228 | S223-P225 WeakPolarHBondContact O-CD 3.38Å; P225-E227 WeakPolarHBondContact CB-OE2 3.38Å; P225-E227 PolarHBondContact O-N 3.04Å; P225-V228 HydrophobicContact CG-CG1 4.11Å; P225-V228 WeakPolarHBondContact O-CG2 3.3Å; P225-V228 PolarHBondContact O-N 3.22Å | ||
| 226 | E | 97.3 | Very high | 98.4 | Very high | 62 Ų | 62 | 32.5 Ų | 32.5 | 29% | 0.29 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57.8 | -22 | -170.7 | 61.5 | 163.9 | -122.3 | 0 | 0 | 114.8 | V228 E229 T230 S256 N305 | E226-V228 VanDerWaalsContact C-N 3.27Å; E226-V228 PolarHBondContact O-N 3.02Å; E226-E229 PolarHBondContact O-N 3.38Å; E226-T230 WeakPolarHBondContact O-CB 3.46Å; E226-T230 PolarHBondContact O-N 3.42Å; E226-T230 PolarHBondContact O-OG1 3.45Å; E226-S256 WeakPolarHBondContact OE1-CB 3.17Å; E226-S256 PolarHBondContact OE1-OG 2.71Å; E226-N305 PolarHBondContact OE2-ND2 3.1Å |
| 227 | E | 98.4 | Very high | 98.4 | Very high | 124 Ų | 124 | 32.5 Ų | 32.5 | 58% | 0.579 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -63.3 | -31.6 | 174.5 | -63.2 | 86 | 168.6 | 0 | 0 | 112.4 | P225 T230 E231 | P225-E227 WeakPolarHBondContact CB-OE2 3.38Å; P225-E227 PolarHBondContact O-N 3.04Å; E227-T230 PolarHBondContact O-N 2.87Å; E227-E231 WeakPolarHBondContact O-CB 3.39Å; E227-E231 PolarHBondContact O-N 3.13Å |
| 228 | V | 98.3 | Very high | 98.4 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.9 | -33.6 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | N198 I201 I202 P225 E226 A232 | N198-V228 HydrophobicContact CB-CB 4.11Å; N198-V228 PolarHBondContact N-O 2.91Å; I201-V228 HydrophobicContact CB-CG1 3.95Å; I201-V228 HydrophobicContact CD1-CG1 4.39Å; I201-V228 HydrophobicContact CG2-CG1 3.56Å; I202-V228 HydrophobicContact CD1-CG2 4.25Å; I202-V228 HydrophobicContact CG1-CG2 4.11Å; P225-V228 HydrophobicContact CG-CG1 4.11Å; P225-V228 WeakPolarHBondContact O-CG2 3.3Å; P225-V228 PolarHBondContact O-N 3.22Å; E226-V228 VanDerWaalsContact C-N 3.27Å; E226-V228 PolarHBondContact O-N 3.02Å; V228-A232 WeakPolarHBondContact O-CB 3.44Å; V228-A232 PolarHBondContact O-N 3.19Å |
| 229 | E | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.3 | -49.7 | 170.6 | -174.2 | -165.4 | 176.8 | 0 | 0 | 109.4 | A196 E197 E226 E231 A232 V233 V252 M253 S254 A257 P302 | A196-E229 WeakPolarHBondContact O-CA 3.45Å; E197-E229 HydrophobicContact CG-CB 4.41Å; E226-E229 PolarHBondContact O-N 3.38Å; E229-E231 PolarHBondContact O-N 3.18Å; E229-A232 PolarHBondContact O-N 3.04Å; E229-V233 HydrophobicContact CG-CG2 4.33Å; E229-V233 WeakPolarHBondContact O-CB 3.34Å; E229-V233 WeakPolarHBondContact O-CG2 3.49Å; E229-V233 PolarHBondContact O-N 3.49Å; E229-V252 WeakPolarHBondContact OE1-CA 3.45Å; E229-M253 PolarHBondContact OE1-N 3.16Å; E229-S254 WeakPolarHBondContact OE2-CB 3.39Å; E229-S254 PolarHBondContact OE2-N 2.53Å; E229-S254 PolarHBondContact OE2-OG 3.34Å; E229-A257 HydrophobicContact CG-CB 3.84Å; E229-A257 WeakPolarHBondContact OE1-CB 3.05Å; E229-P302 HydrophobicContact CG-CG 4.36Å |
| 230 | T | 98.8 | Very high | 98.4 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 17% | 0.166 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59 | -45.5 | -176 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | E226 E227 Y234 S256 A257 V260 | E226-T230 WeakPolarHBondContact O-CB 3.46Å; E226-T230 PolarHBondContact O-N 3.42Å; E226-T230 PolarHBondContact O-OG1 3.45Å; E227-T230 PolarHBondContact O-N 2.87Å; T230-Y234 WeakPolarHBondContact O-CB 3.33Å; T230-Y234 PolarHBondContact O-N 3.4Å; T230-S256 WeakPolarHBondContact OG1-CB 3.2Å; T230-S256 PolarHBondContact OG1-OG 3.48Å; T230-A257 PolarHBondContact OG1-N 3.08Å; T230-V260 HydrophobicContact CG2-CG2 3.84Å |
| 231 | E | 98.8 | Very high | 98.4 | Very high | 69 Ų | 69 | 38.8 Ų | 38.8 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 177.4 | -173.9 | -76.7 | 133.9 | 0 | 0 | 111.1 | N198 E227 E229 V233 Y234 R235 | N198-E231 PolarHBondContact ND2-OE2 3.48Å; E227-E231 WeakPolarHBondContact O-CB 3.39Å; E227-E231 PolarHBondContact O-N 3.13Å; E229-E231 PolarHBondContact O-N 3.18Å; E231-V233 PolarHBondContact O-N 2.91Å; E231-Y234 WeakPolarHBondContact O-CB 3.47Å; E231-Y234 PolarHBondContact O-N 2.76Å; E231-R235 WeakPolarHBondContact O-CB 3.32Å; E231-R235 PolarHBondContact O-N 2.67Å; E231-R235 IonicContact OE1-CZ 2.89Å; E231-R235 IonicContact OE1-NE 3.62Å; E231-R235 PolarHBondContact OE1-NE 3.13Å; E231-R235 IonicContact OE1-NH2 2.72Å; E231-R235 IonicContact OE2-CZ 3.84Å; E231-R235 IonicContact OE2-NE 3.56Å; E231-R235 PolarHBondContact OE2-NE 2.86Å; E231-R235 IonicContact OE2-NH2 3.4Å; E231-R235 PolarHBondContact OE2-NH2 3.22Å |
| 232 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | M165 A196 E197 V228 E229 Y234 R235 A236 | M165-A232 HydrophobicContact CE-CB 3.87Å; M165-A232 WeakPolarHBondContact CE-O 3.25Å; M165-A232 HydrophobicContact SD-CB 4.13Å; A196-A232 VanDerWaalsContact C-CB 3.42Å; A196-A232 HydrophobicContact CB-CB 4.1Å; E197-A232 VanDerWaalsContact C-CB 3.45Å; V228-A232 WeakPolarHBondContact O-CB 3.44Å; V228-A232 PolarHBondContact O-N 3.19Å; E229-A232 PolarHBondContact O-N 3.04Å; A232-Y234 PolarHBondContact O-N 2.8Å; A232-R235 PolarHBondContact O-N 2.64Å; A232-A236 WeakPolarHBondContact O-CB 3.43Å; A232-A236 PolarHBondContact O-N 3.09Å |
| 233 | V | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 173.3 | 169.8 | 0 | 0 | 0 | 0 | 111 | A196 E229 E231 R235 I237 V249 A257 V260 I261 | A196-V233 HydrophobicContact CB-CG2 3.66Å; E229-V233 HydrophobicContact CG-CG2 4.33Å; E229-V233 WeakPolarHBondContact O-CB 3.34Å; E229-V233 WeakPolarHBondContact O-CG2 3.49Å; E229-V233 PolarHBondContact O-N 3.49Å; E231-V233 PolarHBondContact O-N 2.91Å; V233-R235 PolarHBondContact O-N 2.86Å; V233-I237 HydrophobicContact CG1-CD1 3.8Å; V233-I237 WeakPolarHBondContact O-CB 3.45Å; V233-I237 WeakPolarHBondContact O-CD1 3.42Å; V233-I237 VanDerWaalsContact O-CG1 3.25Å; V233-I237 WeakPolarHBondContact O-CG1 3.31Å; V233-I237 PolarHBondContact O-N 2.89Å; V233-V249 HydrophobicContact CG1-CG2 4.42Å; V233-V249 HydrophobicContact CG2-CG1 3.77Å; V233-A257 HydrophobicContact CG2-CB 4.14Å; V233-V260 HydrophobicContact CG1-CB 4.28Å; V233-V260 HydrophobicContact CG1-CG1 3.94Å; V233-I261 HydrophobicContact CG1-CD1 4.27Å; V233-I261 HydrophobicContact CG1-CG1 3.78Å |
| 234 | Y | 98.9 | Very high | 98.2 | Very high | 143 Ų | 143 | 42.5 Ų | 42.5 | 56% | 0.561 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -61.2 | -44.2 | 176.5 | 178.8 | -92.6 | 0 | 0 | 0 | 112.3 | T230 E231 A232 T238 V260 | T230-Y234 WeakPolarHBondContact O-CB 3.33Å; T230-Y234 PolarHBondContact O-N 3.4Å; E231-Y234 WeakPolarHBondContact O-CB 3.47Å; E231-Y234 PolarHBondContact O-N 2.76Å; A232-Y234 PolarHBondContact O-N 2.8Å; Y234-T238 WeakPolarHBondContact O-CB 3.43Å; Y234-T238 PolarHBondContact O-N 2.61Å; Y234-T238 PolarHBondContact O-OG1 2.87Å; Y234-V260 HydrophobicContact CD2-CG1 4.11Å |
| 235 | R | 98.9 | Very high | 98.2 | Very high | 41 Ų | 41 | 42.4 Ų | 42.4 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.5 | -46 | 179.2 | 178.3 | 155.2 | 49.4 | 90.4 | 2.4 | 112 | M165 D175 E231 A232 V233 I237 T238 I239 | M165-R235 HydrophobicContact CE-CB 4.17Å; M165-R235 HydrophobicContact CE-CG 4.12Å; M165-R235 VanDerWaalsContact CE-CZ 3.44Å; M165-R235 VanDerWaalsContact CE-NH1 3.3Å; D175-R235 WeakPolarHBondContact OD1-CD 3.46Å; D175-R235 IonicContact OD1-CZ 3.07Å; D175-R235 IonicContact OD1-NH1 2.69Å; D175-R235 PolarHBondContact OD1-NH1 2.73Å; D175-R235 WeakPolarHBondContact OD2-CD 3.25Å; E231-R235 WeakPolarHBondContact O-CB 3.32Å; E231-R235 PolarHBondContact O-N 2.67Å; E231-R235 IonicContact OE1-CZ 2.89Å; E231-R235 IonicContact OE1-NE 3.62Å; E231-R235 PolarHBondContact OE1-NE 3.13Å; E231-R235 IonicContact OE1-NH2 2.72Å; E231-R235 IonicContact OE2-CZ 3.84Å; E231-R235 IonicContact OE2-NE 3.56Å; E231-R235 PolarHBondContact OE2-NE 2.86Å; E231-R235 IonicContact OE2-NH2 3.4Å; E231-R235 PolarHBondContact OE2-NH2 3.22Å; A232-R235 PolarHBondContact O-N 2.64Å; V233-R235 PolarHBondContact O-N 2.86Å; R235-I237 PolarHBondContact O-N 3.3Å; R235-T238 WeakPolarHBondContact O-CB 3.49Å; R235-T238 PolarHBondContact O-N 2.63Å; R235-T238 VanDerWaalsContact O-N 3.1Å; R235-I239 HydrophobicContact CG-CD1 3.86Å; R235-I239 WeakPolarHBondContact O-CG1 3.37Å; R235-I239 PolarHBondContact O-N 2.79Å |
| 236 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.7 | -46.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M165 V194 A232 T238 I239 A240 L247 | M165-A236 HydrophobicContact CE-CB 4.42Å; M165-A236 HydrophobicContact SD-CB 3.73Å; V194-A236 HydrophobicContact CG1-CB 4.31Å; V194-A236 HydrophobicContact CG2-CB 3.97Å; A232-A236 WeakPolarHBondContact O-CB 3.43Å; A232-A236 PolarHBondContact O-N 3.09Å; A236-T238 VanDerWaalsContact C-N 3.27Å; A236-T238 PolarHBondContact O-N 3.14Å; A236-I239 PolarHBondContact O-N 3.25Å; A236-A240 VanDerWaalsContact O-CB 3.32Å; A236-A240 WeakPolarHBondContact O-CB 3.45Å; A236-A240 PolarHBondContact O-N 3.19Å; A236-L247 HydrophobicContact CB-CD2 3.9Å |
| 237 | I | 98.9 | Very high | 98.4 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.3 | -41.4 | 176.1 | -75.1 | 168.3 | 0 | 0 | 0 | 110.9 | V233 R235 K241 L247 V260 I261 A264 V269 V271 | V233-I237 HydrophobicContact CG1-CD1 3.8Å; V233-I237 WeakPolarHBondContact O-CB 3.45Å; V233-I237 WeakPolarHBondContact O-CD1 3.42Å; V233-I237 VanDerWaalsContact O-CG1 3.25Å; V233-I237 WeakPolarHBondContact O-CG1 3.31Å; V233-I237 PolarHBondContact O-N 2.89Å; R235-I237 PolarHBondContact O-N 3.3Å; I237-K241 WeakPolarHBondContact O-CB 3.3Å; I237-K241 PolarHBondContact O-N 2.82Å; I237-L247 HydrophobicContact CB-CD2 4.4Å; I237-L247 HydrophobicContact CG1-CD2 3.76Å; I237-V260 HydrophobicContact CD1-CG1 3.91Å; I237-I261 HydrophobicContact CD1-CG1 4.2Å; I237-A264 HydrophobicContact CD1-CB 3.98Å; I237-A264 HydrophobicContact CG2-CB 3.64Å; I237-V269 HydrophobicContact CG2-CG1 4.17Å; I237-V271 HydrophobicContact CD1-CG1 4.49Å; I237-V271 HydrophobicContact CD1-CG2 4.18Å; I237-V271 HydrophobicContact CG1-CB 4.44Å; I237-V271 HydrophobicContact CG1-CG2 3.96Å |
| 238 | T | 98.8 | Very high | 98.4 | Very high | 53 Ų | 53 | 31.4 Ų | 31.4 | 33% | 0.325 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63.8 | -48.8 | 178.8 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | Y234 R235 A236 K241 Q242 | Y234-T238 WeakPolarHBondContact O-CB 3.43Å; Y234-T238 PolarHBondContact O-N 2.61Å; Y234-T238 PolarHBondContact O-OG1 2.87Å; R235-T238 WeakPolarHBondContact O-CB 3.49Å; R235-T238 PolarHBondContact O-N 2.63Å; R235-T238 VanDerWaalsContact O-N 3.1Å; A236-T238 VanDerWaalsContact C-N 3.27Å; A236-T238 PolarHBondContact O-N 3.14Å; T238-K241 PolarHBondContact O-N 3.4Å; T238-Q242 WeakPolarHBondContact O-CG 3.49Å; T238-Q242 PolarHBondContact O-N 2.93Å |
| 239 | I | 98.9 | Very high | 98.5 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 9% | 0.092 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.7 | -50.3 | 178.7 | -65 | 164 | 0 | 0 | 0 | 110.6 | D175 L178 Y179 F182 R235 A236 K241 Q242 A243 | D175-I239 HydrophobicContact CB-CD1 3.94Å; L178-I239 HydrophobicContact CB-CD1 4.37Å; L178-I239 HydrophobicContact CB-CG2 4.1Å; L178-I239 HydrophobicContact CD1-CD1 4.11Å; Y179-I239 HydrophobicContact CD2-CG2 4.34Å; F182-I239 HydrophobicContact CD2-CG2 3.89Å; F182-I239 HydrophobicContact CE2-CG2 4.1Å; R235-I239 HydrophobicContact CG-CD1 3.86Å; R235-I239 WeakPolarHBondContact O-CG1 3.37Å; R235-I239 PolarHBondContact O-N 2.79Å; A236-I239 PolarHBondContact O-N 3.25Å; I239-K241 VanDerWaalsContact C-N 3.29Å; I239-K241 PolarHBondContact O-N 3.05Å; I239-Q242 PolarHBondContact O-N 3.28Å; I239-Q242 VanDerWaalsContact O-N 3.08Å; I239-A243 PolarHBondContact O-N 2.94Å |
| 240 | A | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.5 | -38.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F182 A236 A243 N244 C245 L247 | F182-A240 HydrophobicContact CD2-CB 3.9Å; F182-A240 HydrophobicContact CE2-CB 4.04Å; A236-A240 VanDerWaalsContact O-CB 3.32Å; A236-A240 WeakPolarHBondContact O-CB 3.45Å; A236-A240 PolarHBondContact O-N 3.19Å; A240-A243 CarbonylContact O-C 3.59Å; A240-A243 PolarHBondContact O-N 3.43Å; A240-N244 WeakPolarHBondContact O-CA 3.22Å; A240-N244 PolarHBondContact O-N 2.67Å; A240-C245 PolarHBondContact O-N 2.93Å; A240-L247 HydrophobicContact CB-CB 3.79Å; A240-L247 HydrophobicContact CB-CD1 4.22Å; A240-L247 HydrophobicContact CB-CD2 4.03Å; A240-L247 HydrophobicContact CB-CG 4.24Å |
| 241 | K | 97.4 | Very high | 98.4 | Very high | 118 Ų | 118 | 31.4 Ų | 31.4 | 51% | 0.513 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 173.6 | -177.2 | -171.7 | 176.7 | -172.2 | 0 | 111.7 | I237 T238 I239 A243 N244 V269 | I237-K241 WeakPolarHBondContact O-CB 3.3Å; I237-K241 PolarHBondContact O-N 2.82Å; T238-K241 PolarHBondContact O-N 3.4Å; I239-K241 VanDerWaalsContact C-N 3.29Å; I239-K241 PolarHBondContact O-N 3.05Å; K241-A243 VanDerWaalsContact C-N 3.33Å; K241-N244 PolarHBondContact O-N 2.57Å; K241-N244 VanDerWaalsContact O-N 3.14Å; K241-V269 HydrophobicContact CB-CG1 4.29Å; K241-V269 HydrophobicContact CD-CG2 3.97Å; K241-V269 HydrophobicContact CG-CG2 4.33Å |
| 242 | Q | 96.9 | Very high | 98.4 | Very high | 128 Ų | 128 | 28.1 Ų | 28.1 | 60% | 0.598 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -65.2 | -38.4 | 177.4 | -64 | -54.9 | -30.9 | 0 | 0 | 111.6 | Y179 T238 I239 N244 | Y179-Q242 HydrophobicContact CD2-CB 4.33Å; Y179-Q242 HydrophobicContact CE2-CB 3.84Å; T238-Q242 WeakPolarHBondContact O-CG 3.49Å; T238-Q242 PolarHBondContact O-N 2.93Å; I239-Q242 PolarHBondContact O-N 3.28Å; I239-Q242 VanDerWaalsContact O-N 3.08Å; Q242-N244 PolarHBondContact O-N 2.86Å |
| 243 | A | 96.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -74 | -8.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y179 F182 R186 I239 A240 K241 C245 | Y179-A243 HydrophobicContact CD2-CB 4.22Å; Y179-A243 HydrophobicContact CE2-CB 4.23Å; F182-A243 HydrophobicContact CB-CB 3.83Å; R186-A243 WeakPolarHBondContact CD-O 3.43Å; R186-A243 PolarHBondContact NH1-O 3.22Å; I239-A243 PolarHBondContact O-N 2.94Å; A240-A243 CarbonylContact O-C 3.59Å; A240-A243 PolarHBondContact O-N 3.43Å; K241-A243 VanDerWaalsContact C-N 3.33Å; A243-C245 HydrophobicContact CB-CB 4.21Å; A243-C245 PolarHBondContact O-N 2.91Å |
| 244 | N | 97 | Very high | 98.3 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 17% | 0.166 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 40.2 | -168.4 | -168.8 | 40.7 | 0 | 0 | 0 | 112.8 | R186 A240 K241 Q242 I479 S483 | R186-N244 WeakPolarHBondContact CD-O 3.48Å; R186-N244 WeakPolarHBondContact CG-O 3.4Å; A240-N244 WeakPolarHBondContact O-CA 3.22Å; A240-N244 PolarHBondContact O-N 2.67Å; K241-N244 PolarHBondContact O-N 2.57Å; K241-N244 VanDerWaalsContact O-N 3.14Å; Q242-N244 PolarHBondContact O-N 2.86Å; N244-I479 PolarHBondContact ND2-O 3.41Å; N244-I479 WeakPolarHBondContact O-CG2 3.49Å; N244-S483 PolarHBondContact ND2-OG 3.31Å |
| 245 | C | 98.3 | Very high | 98.3 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.034 | 11% | 0.11 | C | C | . | . | trans | -102.5 | 138.2 | 178.7 | -172.7 | 0 | 0 | 0 | 0 | 110 | F182 R186 A240 A243 | F182-C245 HydrophobicContact CB-CB 3.75Å; F182-C245 HydrophobicContact CG-CB 4.48Å; F182-C245 VanDerWaalsContact O-CB 3.31Å; F182-C245 WeakPolarHBondContact O-CB 3.19Å; F182-C245 PolarHBondContact O-SG 3.32Å; R186-C245 HydrophobicContact CB-CB 4.18Å; A240-C245 PolarHBondContact O-N 2.93Å; A243-C245 HydrophobicContact CB-CB 4.21Å; A243-C245 PolarHBondContact O-N 2.91Å | ||
| 246 | P | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -68.7 | 131.4 | 171.7 | 29.2 | -33.8 | 0 | 0 | 0 | 111 | A192 V270 V475 Y476 I479 | A192-P246 PolarHBondContact N-O 3.4Å; P246-V270 HydrophobicContact CB-CG1 3.82Å; P246-V475 HydrophobicContact CB-CG1 3.22Å; P246-V475 HydrophobicContact CG-CG1 3.59Å; P246-Y476 HydrophobicContact CG-CE2 3.8Å; P246-I479 HydrophobicContact CB-CD1 4.47Å; P246-I479 HydrophobicContact CB-CG1 4.44Å; P246-I479 HydrophobicContact CG-CG1 4.48Å | ||
| 247 | L | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.9 | -177.7 | -172.4 | 67.7 | 0 | 0 | 0 | 111.7 | F182 A192 V194 A236 I237 A240 V249 V270 V271 Y272 | F182-L247 HydrophobicContact CE2-CD1 4.16Å; F182-L247 HydrophobicContact CZ-CD1 4.08Å; A192-L247 HydrophobicContact CB-CD1 4.31Å; A192-L247 CarbonylContact O-C 3.41Å; A192-L247 WeakPolarHBondContact O-CA 3.47Å; V194-L247 HydrophobicContact CB-CD1 4.46Å; V194-L247 HydrophobicContact CG1-CD1 3.82Å; V194-L247 HydrophobicContact CG2-CD1 3.86Å; V194-L247 HydrophobicContact CG2-CD2 4.42Å; V194-L247 HydrophobicContact CG2-CG 4.31Å; A236-L247 HydrophobicContact CB-CD2 3.9Å; I237-L247 HydrophobicContact CB-CD2 4.4Å; I237-L247 HydrophobicContact CG1-CD2 3.76Å; A240-L247 HydrophobicContact CB-CB 3.79Å; A240-L247 HydrophobicContact CB-CD1 4.22Å; A240-L247 HydrophobicContact CB-CD2 4.03Å; A240-L247 HydrophobicContact CB-CG 4.24Å; L247-V249 HydrophobicContact CD2-CG2 4.24Å; L247-V249 HydrophobicContact CG-CG2 4.44Å; L247-V270 PolarHBondContact N-O 3.22Å; L247-V270 VanDerWaalsContact N-O 3.07Å; L247-V271 HydrophobicContact CB-CB 4.48Å; L247-V271 HydrophobicContact CB-CG2 4.2Å; L247-V271 HydrophobicContact CD2-CG2 4.21Å; L247-V271 HydrophobicContact CG-CG2 4.37Å; L247-V271 CarbonylContact O-C 3.45Å; L247-V271 VanDerWaalsContact O-CA 3.27Å; L247-V271 WeakPolarHBondContact O-CA 3.28Å; L247-Y272 PolarHBondContact O-N 3.07Å |
| 248 | Y | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 115.8 | 171.7 | -173.9 | -76 | 0 | 0 | 0 | 108.9 | A192 Q193 V194 T250 Y272 E274 V325 V388 F389 | A192-Y248 PolarHBondContact O-N 3.33Å; Q193-Y248 CarbonylContact C-O 3.49Å; Q193-Y248 WeakPolarHBondContact CA-O 3.08Å; Q193-Y248 HydrophobicContact CG-CD1 3.85Å; Q193-Y248 HydrophobicContact CG-CG 4.09Å; V194-Y248 PolarHBondContact N-O 2.86Å; Y248-T250 HydrophobicContact CD1-CG2 3.82Å; Y248-T250 HydrophobicContact CE1-CG2 3.9Å; Y248-Y272 HydrophobicContact CD2-CG 4.49Å; Y248-E274 HydrophobicContact CE1-CB 3.65Å; Y248-E274 HydrophobicContact CE1-CG 4.23Å; Y248-E274 WeakPolarHBondContact OH-CB 3.23Å; Y248-E274 VanDerWaalsContact OH-CD 3.26Å; Y248-E274 WeakPolarHBondContact OH-CG 3.33Å; Y248-E274 PolarHBondContact OH-OE1 3.29Å; Y248-V325 HydrophobicContact CE2-CB 4.28Å; Y248-V325 HydrophobicContact CE2-CG2 4.13Å; Y248-V325 WeakPolarHBondContact OH-CB 3.06Å; Y248-V325 VanDerWaalsContact OH-CG1 3.25Å; Y248-V325 WeakPolarHBondContact OH-CG1 3.47Å; Y248-V388 HydrophobicContact CD2-CG1 4.1Å; Y248-V388 HydrophobicContact CE2-CG1 4.3Å; Y248-F389 AromaticContact CD2-CZ 3.94Å; Y248-F389 HydrophobicContact CD2-CZ 3.94Å; Y248-F389 AromaticContact CE2-CE2 4Å; Y248-F389 HydrophobicContact CE2-CE2 4Å; Y248-F389 AromaticContact CE2-CZ 3.68Å; Y248-F389 HydrophobicContact CE2-CZ 3.68Å; Y248-F389 HydrophobicContact CG-CZ 4.47Å; Y248-F389 AromaticContact CZ-CZ 3.97Å |
| 249 | V | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 113.3 | 178 | -176.6 | 0 | 0 | 0 | 0 | 108 | V194 A196 V233 L247 V252 I261 V271 Y272 E274 | V194-V249 HydrophobicContact CG2-CG2 4.12Å; A196-V249 HydrophobicContact CB-CG1 4.47Å; V233-V249 HydrophobicContact CG1-CG2 4.42Å; V233-V249 HydrophobicContact CG2-CG1 3.77Å; L247-V249 HydrophobicContact CD2-CG2 4.24Å; L247-V249 HydrophobicContact CG-CG2 4.44Å; V249-V252 HydrophobicContact CB-CG2 4.28Å; V249-V252 HydrophobicContact CG1-CG2 3.89Å; V249-I261 HydrophobicContact CB-CD1 3.99Å; V249-I261 HydrophobicContact CG1-CD1 4.17Å; V249-I261 HydrophobicContact CG2-CD1 4.17Å; V249-I261 HydrophobicContact CG2-CG1 4.42Å; V249-V271 HydrophobicContact CG2-CG2 4.04Å; V249-Y272 PolarHBondContact N-O 3.35Å; V249-E274 PolarHBondContact O-N 2.81Å; V249-E274 VanDerWaalsContact O-N 3.09Å |
| 250 | T | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.018 | 11% | 0.107 | C | C | . | . | trans | -80.7 | 153.4 | 178.2 | 63.6 | 0 | 0 | 0 | 0 | 110.3 | L162 Q193 V194 Y248 V252 E274 | L162-T250 HydrophobicContact CD1-CG2 3.86Å; Q193-T250 HydrophobicContact CB-CG2 4.19Å; Q193-T250 HydrophobicContact CG-CG2 4.34Å; V194-T250 PolarHBondContact O-N 3.31Å; V194-T250 VanDerWaalsContact O-N 3.17Å; V194-T250 PolarHBondContact O-OG1 3.01Å; V194-T250 VanDerWaalsContact O-OG1 3.1Å; Y248-T250 HydrophobicContact CD1-CG2 3.82Å; Y248-T250 HydrophobicContact CE1-CG2 3.9Å; T250-V252 PolarHBondContact O-N 2.83Å; T250-E274 WeakPolarHBondContact CA-OE2 3.31Å | ||
| 251 | K | 98.1 | Very high | 98.3 | Very high | 35 Ų | 35 | 21.9 Ų | 21.9 | 15% | 0.152 | 11% | 0.107 | C | C | . | . | trans | 47 | 62.4 | 172.6 | -58.2 | 177.6 | -73 | 178.3 | 0 | 113.5 | H195 M253 E274 I276 S301 A329 | H195-K251 PolarHBondContact ND1-NZ 2.97Å; K251-M253 WeakPolarHBondContact O-CG 3.41Å; K251-M253 PolarHBondContact O-N 2.89Å; K251-E274 CarbonylContact C-O 3.56Å; K251-E274 WeakPolarHBondContact CA-O 3.36Å; K251-E274 PolarHBondContact N-O 3.5Å; K251-E274 PolarHBondContact N-OE2 3.26Å; K251-I276 HydrophobicContact CB-CG2 4.49Å; K251-I276 HydrophobicContact CG-CD1 4.39Å; K251-I276 HydrophobicContact CG-CG2 4.04Å; K251-S301 VanDerWaalsContact CE-O 3.3Å; K251-S301 WeakPolarHBondContact CE-O 3.46Å; K251-S301 PolarHBondContact NZ-O 2.94Å; K251-A329 HydrophobicContact CD-CB 3.99Å; K251-A329 HydrophobicContact CG-CB 3.98Å | ||
| 252 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -74.8 | 110.3 | 173.2 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | E229 V249 T250 A257 A258 I261 E274 L314 L323 | E229-V252 WeakPolarHBondContact OE1-CA 3.45Å; V249-V252 HydrophobicContact CB-CG2 4.28Å; V249-V252 HydrophobicContact CG1-CG2 3.89Å; T250-V252 PolarHBondContact O-N 2.83Å; V252-A257 HydrophobicContact CG1-CB 4.41Å; V252-A258 HydrophobicContact CG1-CB 3.9Å; V252-I261 HydrophobicContact CG1-CD1 4.27Å; V252-I261 HydrophobicContact CG2-CD1 3.58Å; V252-E274 PolarHBondContact N-O 2.79Å; V252-L314 HydrophobicContact CG1-CD2 4.39Å; V252-L323 HydrophobicContact CG1-CD2 4.3Å; V252-L323 HydrophobicContact CG2-CD2 4.34Å | ||
| 253 | M | 98.1 | Very high | 98.5 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | trans | -112.8 | -13.2 | -169.6 | -61.7 | -56.9 | -74.3 | 0 | 0 | 114.1 | E229 K251 I276 M300 P302 P303 L304 T310 | E229-M253 PolarHBondContact OE1-N 3.16Å; K251-M253 WeakPolarHBondContact O-CG 3.41Å; K251-M253 PolarHBondContact O-N 2.89Å; M253-I276 HydrophobicContact CE-CD1 4.22Å; M253-I276 HydrophobicContact CE-CG1 4.36Å; M253-I276 HydrophobicContact SD-CD1 3.71Å; M253-I276 HydrophobicContact SD-CG1 3.55Å; M253-I276 VanDerWaalsContact SD-CG1 3.55Å; M253-M300 HydrophobicContact CE-SD 3.63Å; M253-P302 HydrophobicContact CB-CB 4.09Å; M253-P302 HydrophobicContact CG-CB 3.88Å; M253-P302 HydrophobicContact CG-CG 4.17Å; M253-P303 WeakPolarHBondContact CB-O 3.43Å; M253-L304 HydrophobicContact CE-CB 4.43Å; M253-L304 HydrophobicContact CE-CD2 3.39Å; M253-L304 HydrophobicContact CE-CG 3.75Å; M253-T310 WeakPolarHBondContact O-CG2 3.36Å | ||
| 254 | S | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -121.4 | 156.4 | 179.5 | 66.1 | 0 | 0 | 0 | 0 | 114.3 | E229 A257 A258 | E229-S254 WeakPolarHBondContact OE2-CB 3.39Å; E229-S254 PolarHBondContact OE2-N 2.53Å; E229-S254 PolarHBondContact OE2-OG 3.34Å; S254-A257 WeakPolarHBondContact OG-CB 3.42Å; S254-A257 PolarHBondContact OG-N 3.2Å; S254-A258 WeakPolarHBondContact O-CB 3.48Å; S254-A258 PolarHBondContact O-N 3.27Å; S254-A258 VanDerWaalsContact O-N 3.14Å | ||
| 255 | K | 98.8 | Very high | 98.6 | Very high | 40 Ų | 40 | 18.4 Ų | 18.4 | 17% | 0.174 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 176.6 | -56.7 | -177.1 | -176.4 | 163.8 | 0 | 111.9 | A258 D259 D307 S309 T310 Y313 | K255-A258 PolarHBondContact O-N 3.06Å; K255-D259 WeakPolarHBondContact O-CB 3.43Å; K255-D259 PolarHBondContact O-N 3.35Å; K255-D307 VanDerWaalsContact NZ-CG 3.32Å; K255-D307 IonicContact NZ-OD1 2.67Å; K255-D307 IonicContact NZ-OD2 2.96Å; K255-D307 PolarHBondContact NZ-OD2 2.81Å; K255-S309 VanDerWaalsContact CE-C 3.49Å; K255-S309 WeakPolarHBondContact CE-O 3.11Å; K255-S309 PolarHBondContact NZ-OG 3.23Å; K255-T310 VanDerWaalsContact CE-CA 3.45Å; K255-T310 HydrophobicContact CG-CG2 4.18Å; K255-Y313 HydrophobicContact CB-CD1 3.53Å; K255-Y313 HydrophobicContact CB-CE1 3.71Å; K255-Y313 HydrophobicContact CB-CG 4.26Å; K255-Y313 HydrophobicContact CD-CD1 4.01Å; K255-Y313 HydrophobicContact CD-CD2 4.41Å; K255-Y313 HydrophobicContact CD-CG 3.88Å; K255-Y313 HydrophobicContact CG-CD1 3.48Å; K255-Y313 VanDerWaalsContact CG-CD1 3.48Å; K255-Y313 HydrophobicContact CG-CE1 4.18Å; K255-Y313 HydrophobicContact CG-CG 3.8Å |
| 256 | S | 98.6 | Very high | 98.6 | Very high | 27 Ų | 27 | 27.5 Ų | 27.5 | 19% | 0.189 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.9 | -40.5 | -176.6 | 38.9 | 0 | 0 | 0 | 0 | 111.6 | E226 T230 D259 V260 | E226-S256 WeakPolarHBondContact OE1-CB 3.17Å; E226-S256 PolarHBondContact OE1-OG 2.71Å; T230-S256 WeakPolarHBondContact OG1-CB 3.2Å; T230-S256 PolarHBondContact OG1-OG 3.48Å; S256-D259 WeakPolarHBondContact O-CB 3.31Å; S256-D259 PolarHBondContact O-N 3.14Å; S256-V260 WeakPolarHBondContact O-CG2 3.45Å; S256-V260 PolarHBondContact O-N 3.03Å; S256-V260 VanDerWaalsContact O-N 3.14Å |
| 257 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E229 T230 V233 V252 S254 D259 V260 I261 | E229-A257 HydrophobicContact CG-CB 3.84Å; E229-A257 WeakPolarHBondContact OE1-CB 3.05Å; T230-A257 PolarHBondContact OG1-N 3.08Å; V233-A257 HydrophobicContact CG2-CB 4.14Å; V252-A257 HydrophobicContact CG1-CB 4.41Å; S254-A257 WeakPolarHBondContact OG-CB 3.42Å; S254-A257 PolarHBondContact OG-N 3.2Å; A257-D259 VanDerWaalsContact C-N 3.31Å; A257-D259 PolarHBondContact O-N 3.05Å; A257-V260 WeakPolarHBondContact O-CB 3.37Å; A257-V260 PolarHBondContact O-N 3.41Å; A257-V260 VanDerWaalsContact O-N 3.13Å; A257-I261 PolarHBondContact O-N 2.98Å; A257-I261 VanDerWaalsContact O-N 3.12Å |
| 258 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V252 S254 K255 V260 I261 A262 L314 L317 L323 | V252-A258 HydrophobicContact CG1-CB 3.9Å; S254-A258 WeakPolarHBondContact O-CB 3.48Å; S254-A258 PolarHBondContact O-N 3.27Å; S254-A258 VanDerWaalsContact O-N 3.14Å; K255-A258 PolarHBondContact O-N 3.06Å; A258-V260 VanDerWaalsContact C-N 3.35Å; A258-V260 PolarHBondContact O-N 3.33Å; A258-I261 WeakPolarHBondContact O-CB 3.23Å; A258-I261 PolarHBondContact O-N 2.99Å; A258-A262 PolarHBondContact O-N 2.74Å; A258-L314 HydrophobicContact CB-CD2 3.7Å; A258-L317 HydrophobicContact CB-CD2 3.4Å; A258-L317 VanDerWaalsContact CB-CD2 3.4Å; A258-L323 HydrophobicContact CB-CD1 4.26Å; A258-L323 HydrophobicContact CB-CD2 4.44Å |
| 259 | D | 98.9 | Very high | 98.4 | Very high | 46 Ų | 46 | 37 Ų | 37 | 25% | 0.246 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 173.1 | -96.5 | 18.2 | 0 | 0 | 0 | 113.2 | K255 S256 A257 I261 A262 K263 Y313 | K255-D259 WeakPolarHBondContact O-CB 3.43Å; K255-D259 PolarHBondContact O-N 3.35Å; S256-D259 WeakPolarHBondContact O-CB 3.31Å; S256-D259 PolarHBondContact O-N 3.14Å; A257-D259 VanDerWaalsContact C-N 3.31Å; A257-D259 PolarHBondContact O-N 3.05Å; D259-I261 VanDerWaalsContact C-N 3.33Å; D259-A262 PolarHBondContact O-N 3.25Å; D259-K263 WeakPolarHBondContact O-CB 3.5Å; D259-K263 WeakPolarHBondContact O-CD 3.43Å; D259-K263 WeakPolarHBondContact O-CG 3.35Å; D259-K263 PolarHBondContact O-N 3.21Å; D259-K263 IonicContact OD2-NZ 2.59Å; D259-Y313 PolarHBondContact OD1-OH 2.83Å |
| 260 | V | 98.9 | Very high | 98.3 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 13% | 0.127 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 176.4 | 168.9 | 0 | 0 | 0 | 0 | 110.1 | T230 V233 Y234 I237 S256 A257 A258 K263 A264 | T230-V260 HydrophobicContact CG2-CG2 3.84Å; V233-V260 HydrophobicContact CG1-CB 4.28Å; V233-V260 HydrophobicContact CG1-CG1 3.94Å; Y234-V260 HydrophobicContact CD2-CG1 4.11Å; I237-V260 HydrophobicContact CD1-CG1 3.91Å; S256-V260 WeakPolarHBondContact O-CG2 3.45Å; S256-V260 PolarHBondContact O-N 3.03Å; S256-V260 VanDerWaalsContact O-N 3.14Å; A257-V260 WeakPolarHBondContact O-CB 3.37Å; A257-V260 PolarHBondContact O-N 3.41Å; A257-V260 VanDerWaalsContact O-N 3.13Å; A258-V260 VanDerWaalsContact C-N 3.35Å; A258-V260 PolarHBondContact O-N 3.33Å; V260-K263 PolarHBondContact O-N 2.82Å; V260-A264 WeakPolarHBondContact O-CB 3.48Å; V260-A264 PolarHBondContact O-N 2.85Å |
| 261 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -51 | 175.2 | -64.7 | 168.6 | 0 | 0 | 0 | 110.2 | V233 I237 V249 V252 A257 A258 D259 K263 A264 R265 V271 L323 | V233-I261 HydrophobicContact CG1-CD1 4.27Å; V233-I261 HydrophobicContact CG1-CG1 3.78Å; I237-I261 HydrophobicContact CD1-CG1 4.2Å; V249-I261 HydrophobicContact CB-CD1 3.99Å; V249-I261 HydrophobicContact CG1-CD1 4.17Å; V249-I261 HydrophobicContact CG2-CD1 4.17Å; V249-I261 HydrophobicContact CG2-CG1 4.42Å; V252-I261 HydrophobicContact CG1-CD1 4.27Å; V252-I261 HydrophobicContact CG2-CD1 3.58Å; A257-I261 PolarHBondContact O-N 2.98Å; A257-I261 VanDerWaalsContact O-N 3.12Å; A258-I261 WeakPolarHBondContact O-CB 3.23Å; A258-I261 PolarHBondContact O-N 2.99Å; D259-I261 VanDerWaalsContact C-N 3.33Å; I261-K263 PolarHBondContact O-N 2.82Å; I261-A264 PolarHBondContact O-N 3.02Å; I261-A264 VanDerWaalsContact O-N 3.14Å; I261-R265 HydrophobicContact CG2-CG 4.33Å; I261-R265 VanDerWaalsContact O-CG 3.31Å; I261-R265 WeakPolarHBondContact O-CG 3.4Å; I261-R265 PolarHBondContact O-N 3.19Å; I261-V271 HydrophobicContact CG2-CG1 4.3Å; I261-L323 HydrophobicContact CD1-CD2 4.2Å; I261-L323 HydrophobicContact CG2-CD2 4.5Å |
| 262 | A | 98.8 | Very high | 98.4 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 12% | 0.116 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.7 | -48.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | A258 D259 A264 R265 K266 D322 | A258-A262 PolarHBondContact O-N 2.74Å; D259-A262 PolarHBondContact O-N 3.25Å; A262-A264 VanDerWaalsContact C-N 3.34Å; A262-A264 PolarHBondContact O-N 2.88Å; A262-R265 PolarHBondContact O-N 2.58Å; A262-K266 WeakPolarHBondContact O-CB 3.38Å; A262-K266 PolarHBondContact O-N 3.43Å; A262-D322 HydrophobicContact CB-CB 3.86Å |
| 263 | K | 98.8 | Very high | 98.4 | Very high | 120 Ų | 120 | 35.9 Ų | 35.9 | 52% | 0.522 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.1 | -40.3 | 177.4 | -73.1 | 164.3 | -169.2 | 159.2 | 0 | 112 | D259 V260 I261 K267 | D259-K263 WeakPolarHBondContact O-CB 3.5Å; D259-K263 WeakPolarHBondContact O-CD 3.43Å; D259-K263 WeakPolarHBondContact O-CG 3.35Å; D259-K263 PolarHBondContact O-N 3.21Å; D259-K263 IonicContact OD2-NZ 2.59Å; V260-K263 PolarHBondContact O-N 2.82Å; I261-K263 PolarHBondContact O-N 2.82Å; K263-K267 WeakPolarHBondContact O-CG 3.29Å; K263-K267 PolarHBondContact O-N 3.11Å |
| 264 | A | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 7% | 0.066 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.5 | -43.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | I237 V260 I261 A262 K266 K267 G268 V269 V271 | I237-A264 HydrophobicContact CD1-CB 3.98Å; I237-A264 HydrophobicContact CG2-CB 3.64Å; V260-A264 WeakPolarHBondContact O-CB 3.48Å; V260-A264 PolarHBondContact O-N 2.85Å; I261-A264 PolarHBondContact O-N 3.02Å; I261-A264 VanDerWaalsContact O-N 3.14Å; A262-A264 VanDerWaalsContact C-N 3.34Å; A262-A264 PolarHBondContact O-N 2.88Å; A264-K266 VanDerWaalsContact C-N 3.35Å; A264-K266 PolarHBondContact O-N 3.29Å; A264-K267 CarbonylContact O-C 3.5Å; A264-K267 WeakPolarHBondContact O-CB 3.4Å; A264-K267 PolarHBondContact O-N 3.07Å; A264-K267 VanDerWaalsContact O-N 3.12Å; A264-G268 PolarHBondContact O-N 3.27Å; A264-V269 HydrophobicContact CB-CB 4.16Å; A264-V269 HydrophobicContact CB-CG2 4.31Å; A264-V269 WeakPolarHBondContact O-CB 3.5Å; A264-V269 WeakPolarHBondContact O-CG2 3.06Å; A264-V269 PolarHBondContact O-N 2.73Å; A264-V271 HydrophobicContact CB-CG1 4.01Å |
| 265 | R | 98.3 | Very high | 98.4 | Very high | 64 Ų | 64 | 35.8 Ų | 35.8 | 24% | 0.242 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 175.8 | -70.6 | 175.1 | 56.5 | 79.3 | -6.4 | 112.1 | I261 A262 K267 G268 V271 G321 D322 Q324 | I261-R265 HydrophobicContact CG2-CG 4.33Å; I261-R265 VanDerWaalsContact O-CG 3.31Å; I261-R265 WeakPolarHBondContact O-CG 3.4Å; I261-R265 PolarHBondContact O-N 3.19Å; A262-R265 PolarHBondContact O-N 2.58Å; R265-K267 VanDerWaalsContact C-N 3.25Å; R265-K267 PolarHBondContact O-N 3.09Å; R265-G268 VanDerWaalsContact O-CA 3.24Å; R265-G268 WeakPolarHBondContact O-CA 3.09Å; R265-G268 PolarHBondContact O-N 3.01Å; R265-V271 HydrophobicContact CG-CG1 3.59Å; R265-V271 PolarHBondContact NH1-O 2.84Å; R265-G321 PolarHBondContact NH2-O 3.01Å; R265-D322 WeakPolarHBondContact CD-O 3.4Å; R265-Q324 VanDerWaalsContact CZ-CD 3.46Å |
| 266 | K | 98.2 | Very high | 98.4 | Very high | 195 Ų | 195 | 33.9 Ų | 33.9 | 85% | 0.848 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -61.3 | -31.7 | 174.6 | -170.6 | 173.2 | -175.7 | 172.8 | 0 | 113 | A262 A264 G268 | A262-K266 WeakPolarHBondContact O-CB 3.38Å; A262-K266 PolarHBondContact O-N 3.43Å; A264-K266 VanDerWaalsContact C-N 3.35Å; A264-K266 PolarHBondContact O-N 3.29Å; K266-G268 PolarHBondContact O-N 3.45Å |
| 267 | K | 97.3 | Very high | 98.4 | Very high | 168 Ų | 168 | 32.7 Ų | 32.7 | 73% | 0.73 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 3.1 | 170.6 | -66.5 | 174.7 | -176 | 177.8 | 0 | 113.2 | K263 A264 R265 | K263-K267 WeakPolarHBondContact O-CG 3.29Å; K263-K267 PolarHBondContact O-N 3.11Å; A264-K267 CarbonylContact O-C 3.5Å; A264-K267 WeakPolarHBondContact O-CB 3.4Å; A264-K267 PolarHBondContact O-N 3.07Å; A264-K267 VanDerWaalsContact O-N 3.12Å; R265-K267 VanDerWaalsContact C-N 3.25Å; R265-K267 PolarHBondContact O-N 3.09Å |
| 268 | G | 96.1 | Very high | 98.4 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 23% | 0.227 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 2.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A264 R265 K266 V270 R482 | A264-G268 PolarHBondContact O-N 3.27Å; R265-G268 VanDerWaalsContact O-CA 3.24Å; R265-G268 WeakPolarHBondContact O-CA 3.09Å; R265-G268 PolarHBondContact O-N 3.01Å; K266-G268 PolarHBondContact O-N 3.45Å; G268-V270 PolarHBondContact O-N 2.85Å; G268-R482 PolarHBondContact O-NH1 2.75Å; G268-R482 PolarHBondContact O-NH2 3.11Å |
| 269 | V | 97.5 | Very high | 98.4 | Very high | 11 Ų | 11 | 32.9 Ų | 32.9 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | trans | -58.6 | 138.6 | 179.7 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | I237 K241 A264 V271 | I237-V269 HydrophobicContact CG2-CG1 4.17Å; K241-V269 HydrophobicContact CB-CG1 4.29Å; K241-V269 HydrophobicContact CD-CG2 3.97Å; K241-V269 HydrophobicContact CG-CG2 4.33Å; A264-V269 HydrophobicContact CB-CB 4.16Å; A264-V269 HydrophobicContact CB-CG2 4.31Å; A264-V269 WeakPolarHBondContact O-CB 3.5Å; A264-V269 WeakPolarHBondContact O-CG2 3.06Å; A264-V269 PolarHBondContact O-N 2.73Å; V269-V271 VanDerWaalsContact C-N 3.28Å; V269-V271 HydrophobicContact CB-CG1 4.49Å; V269-V271 HydrophobicContact CG1-CB 4.49Å; V269-V271 HydrophobicContact CG1-CG1 4.47Å; V269-V271 PolarHBondContact O-N 2.88Å | ||
| 270 | V | 98.2 | Very high | 98.3 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | trans | -82.3 | 82.6 | 177 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | P246 L247 G268 Y272 V475 R478 I479 | P246-V270 HydrophobicContact CB-CG1 3.82Å; L247-V270 PolarHBondContact N-O 3.22Å; L247-V270 VanDerWaalsContact N-O 3.07Å; G268-V270 PolarHBondContact O-N 2.85Å; V270-Y272 HydrophobicContact CG1-CE2 3.89Å; V270-V475 HydrophobicContact CG1-CG1 4.3Å; V270-R478 HydrophobicContact CG2-CB 4.18Å; V270-I479 HydrophobicContact CB-CD1 3.88Å; V270-I479 HydrophobicContact CG1-CD1 4.26Å; V270-I479 HydrophobicContact CG2-CD1 3.7Å; V270-I479 HydrophobicContact CG2-CG1 4.36Å | ||
| 271 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 142 | 176 | 62 | 0 | 0 | 0 | 0 | 110.2 | I237 L247 V249 I261 A264 R265 V269 | I237-V271 HydrophobicContact CD1-CG1 4.49Å; I237-V271 HydrophobicContact CD1-CG2 4.18Å; I237-V271 HydrophobicContact CG1-CB 4.44Å; I237-V271 HydrophobicContact CG1-CG2 3.96Å; L247-V271 HydrophobicContact CB-CB 4.48Å; L247-V271 HydrophobicContact CB-CG2 4.2Å; L247-V271 HydrophobicContact CD2-CG2 4.21Å; L247-V271 HydrophobicContact CG-CG2 4.37Å; L247-V271 CarbonylContact O-C 3.45Å; L247-V271 VanDerWaalsContact O-CA 3.27Å; L247-V271 WeakPolarHBondContact O-CA 3.28Å; V249-V271 HydrophobicContact CG2-CG2 4.04Å; I261-V271 HydrophobicContact CG2-CG1 4.3Å; A264-V271 HydrophobicContact CB-CG1 4.01Å; R265-V271 HydrophobicContact CG-CG1 3.59Å; R265-V271 PolarHBondContact NH1-O 2.84Å; V269-V271 VanDerWaalsContact C-N 3.28Å; V269-V271 HydrophobicContact CB-CG1 4.49Å; V269-V271 HydrophobicContact CG1-CB 4.49Å; V269-V271 HydrophobicContact CG1-CG1 4.47Å; V269-V271 PolarHBondContact O-N 2.88Å |
| 272 | Y | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 5% | 0.051 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 143.1 | 174.4 | -57.9 | -93.3 | 0 | 0 | 0 | 110 | L247 Y248 V249 V270 Q324 V388 T474 V475 | L247-Y272 PolarHBondContact O-N 3.07Å; Y248-Y272 HydrophobicContact CD2-CG 4.49Å; V249-Y272 PolarHBondContact N-O 3.35Å; V270-Y272 HydrophobicContact CG1-CE2 3.89Å; Y272-Q324 HydrophobicContact CD1-CB 4.31Å; Y272-Q324 HydrophobicContact CD1-CG 4.18Å; Y272-V388 HydrophobicContact CD1-CG2 3.91Å; Y272-V388 HydrophobicContact CE1-CG2 3.83Å; Y272-V388 HydrophobicContact CG-CG2 4.45Å; Y272-T474 PolarHBondContact OH-O 2.62Å; Y272-V475 HydrophobicContact CE2-CG1 4.26Å; Y272-V475 HydrophobicContact CE2-CG2 4.13Å |
| 273 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 138 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q324 | G273-Q324 PolarHBondContact O-N 3.43Å |
| 274 | E | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -120.9 | 97.6 | -179.2 | 178 | -165.4 | -104.1 | 0 | 0 | 111.2 | N70 Y248 V249 T250 K251 V252 V325 S327 | N70-E274 PolarHBondContact ND2-OE2 3.27Å; Y248-E274 HydrophobicContact CE1-CB 3.65Å; Y248-E274 HydrophobicContact CE1-CG 4.23Å; Y248-E274 WeakPolarHBondContact OH-CB 3.23Å; Y248-E274 VanDerWaalsContact OH-CD 3.26Å; Y248-E274 WeakPolarHBondContact OH-CG 3.33Å; Y248-E274 PolarHBondContact OH-OE1 3.29Å; V249-E274 PolarHBondContact O-N 2.81Å; V249-E274 VanDerWaalsContact O-N 3.09Å; T250-E274 WeakPolarHBondContact CA-OE2 3.31Å; K251-E274 CarbonylContact C-O 3.56Å; K251-E274 WeakPolarHBondContact CA-O 3.36Å; K251-E274 PolarHBondContact N-O 3.5Å; K251-E274 PolarHBondContact N-OE2 3.26Å; V252-E274 PolarHBondContact N-O 2.79Å; E274-V325 WeakPolarHBondContact CA-O 3.38Å; E274-S327 VanDerWaalsContact CD-OG 3.32Å; E274-S327 WeakPolarHBondContact OE1-CB 3.35Å; E274-S327 PolarHBondContact OE1-OG 3.46Å | ||
| 275 | P | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -71.5 | 156.5 | 160 | 31.5 | -36 | 0 | 0 | 0 | 110.2 | L280 L318 L323 V325 T326 S327 | P275-L280 HydrophobicContact CB-CD1 4.34Å; P275-L280 HydrophobicContact CB-CD2 4.02Å; P275-L280 HydrophobicContact CB-CG 4.13Å; P275-L280 HydrophobicContact CG-CD1 4.34Å; P275-L280 HydrophobicContact CG-CD2 4.3Å; P275-L318 HydrophobicContact CG-CD1 4.2Å; P275-L323 HydrophobicContact CB-CD1 4.16Å; P275-L323 HydrophobicContact CG-CB 4.16Å; P275-L323 HydrophobicContact CG-CD1 3.8Å; P275-V325 VanDerWaalsContact CD-O 3.3Å; P275-V325 WeakPolarHBondContact CD-O 3.37Å; P275-T326 HydrophobicContact CG-CG2 4.35Å; P275-S327 PolarHBondContact O-N 2.96Å | ||
| 276 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -116.7 | 163.9 | -178.4 | 61.5 | 167.6 | 0 | 0 | 0 | 112.9 | K251 M253 A278 G279 L280 M300 S327 A329 | K251-I276 HydrophobicContact CB-CG2 4.49Å; K251-I276 HydrophobicContact CG-CD1 4.39Å; K251-I276 HydrophobicContact CG-CG2 4.04Å; M253-I276 HydrophobicContact CE-CD1 4.22Å; M253-I276 HydrophobicContact CE-CG1 4.36Å; M253-I276 HydrophobicContact SD-CD1 3.71Å; M253-I276 HydrophobicContact SD-CG1 3.55Å; M253-I276 VanDerWaalsContact SD-CG1 3.55Å; I276-A278 VanDerWaalsContact C-N 3.28Å; I276-A278 HydrophobicContact CD1-CB 4.25Å; I276-A278 HydrophobicContact CG1-CB 4.47Å; I276-A278 PolarHBondContact O-N 3.43Å; I276-G279 PolarHBondContact O-N 3.05Å; I276-G279 VanDerWaalsContact O-N 3.08Å; I276-L280 WeakPolarHBondContact O-CG 3.4Å; I276-L280 PolarHBondContact O-N 2.9Å; I276-M300 HydrophobicContact CD1-CE 3.85Å; I276-M300 HydrophobicContact CD1-SD 3.92Å; I276-S327 CarbonylContact C-O 3.56Å; I276-S327 WeakPolarHBondContact CA-O 3.2Å; I276-S327 WeakPolarHBondContact CB-O 3.29Å; I276-A329 HydrophobicContact CB-CB 4.3Å; I276-A329 HydrophobicContact CD1-CB 3.86Å; I276-A329 HydrophobicContact CG2-CB 3.8Å |
| 277 | T | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -46.2 | -50.5 | -179.8 | -53.9 | 0 | 0 | 0 | 0 | 112.2 | G279 L280 A281 S327 G354 R358 V361 L431 | T277-G279 PolarHBondContact O-N 3.46Å; T277-L280 PolarHBondContact O-N 3.16Å; T277-A281 VanDerWaalsContact O-CB 3.23Å; T277-A281 WeakPolarHBondContact O-CB 3.39Å; T277-A281 PolarHBondContact O-N 2.93Å; T277-S327 PolarHBondContact N-O 3.26Å; T277-G354 PolarHBondContact OG1-O 2.74Å; T277-G354 VanDerWaalsContact OG1-O 3.06Å; T277-R358 WeakPolarHBondContact OG1-CB 3.48Å; T277-R358 WeakPolarHBondContact OG1-CG 3.48Å; T277-V361 HydrophobicContact CG2-CB 4.16Å; T277-V361 HydrophobicContact CG2-CG1 4.32Å; T277-V361 HydrophobicContact CG2-CG2 3.83Å; T277-L431 HydrophobicContact CG2-CD1 4.27Å |
| 278 | A | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.3 | -52.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | I276 L280 A281 T282 M300 L304 I430 | I276-A278 VanDerWaalsContact C-N 3.28Å; I276-A278 HydrophobicContact CD1-CB 4.25Å; I276-A278 HydrophobicContact CG1-CB 4.47Å; I276-A278 PolarHBondContact O-N 3.43Å; A278-L280 PolarHBondContact O-N 3.02Å; A278-A281 PolarHBondContact O-N 2.87Å; A278-A281 VanDerWaalsContact O-N 3.12Å; A278-T282 PolarHBondContact O-N 3.3Å; A278-M300 HydrophobicContact CB-CE 3.8Å; A278-M300 HydrophobicContact CB-SD 4.44Å; A278-L304 HydrophobicContact CB-CD1 4.45Å; A278-L304 HydrophobicContact CB-CD2 4.09Å; A278-I430 HydrophobicContact CB-CD1 3.61Å |
| 279 | G | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 3% | 0.031 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.6 | -17.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I276 T277 P311 | I276-G279 PolarHBondContact O-N 3.05Å; I276-G279 VanDerWaalsContact O-N 3.08Å; T277-G279 PolarHBondContact O-N 3.46Å; G279-P311 VanDerWaalsContact O-CA 3.25Å; G279-P311 WeakPolarHBondContact O-CA 3.27Å; G279-P311 WeakPolarHBondContact O-CB 3.49Å |
| 280 | L | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -93.3 | -20.2 | 173.7 | -65 | 173.1 | 0 | 0 | 0 | 113 | P275 I276 T277 A278 L314 L318 T326 V361 I362 | P275-L280 HydrophobicContact CB-CD1 4.34Å; P275-L280 HydrophobicContact CB-CD2 4.02Å; P275-L280 HydrophobicContact CB-CG 4.13Å; P275-L280 HydrophobicContact CG-CD1 4.34Å; P275-L280 HydrophobicContact CG-CD2 4.3Å; I276-L280 WeakPolarHBondContact O-CG 3.4Å; I276-L280 PolarHBondContact O-N 2.9Å; T277-L280 PolarHBondContact O-N 3.16Å; A278-L280 PolarHBondContact O-N 3.02Å; L280-L314 HydrophobicContact CD2-CB 3.86Å; L280-L318 HydrophobicContact CD1-CD2 4.25Å; L280-T326 HydrophobicContact CD1-CG2 3.92Å; L280-V361 HydrophobicContact CB-CG1 4.19Å; L280-I362 HydrophobicContact CD1-CG1 4.11Å |
| 281 | A | 98 | Very high | 97.9 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -99.6 | -41.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T277 A278 V361 R365 L431 F436 | T277-A281 VanDerWaalsContact O-CB 3.23Å; T277-A281 WeakPolarHBondContact O-CB 3.39Å; T277-A281 PolarHBondContact O-N 2.93Å; A278-A281 PolarHBondContact O-N 2.87Å; A278-A281 VanDerWaalsContact O-N 3.12Å; A281-V361 HydrophobicContact CB-CG1 3.78Å; A281-V361 HydrophobicContact CB-CG2 4.06Å; A281-R365 PolarHBondContact O-NH2 2.92Å; A281-L431 HydrophobicContact CB-CD1 3.91Å; A281-L431 HydrophobicContact CB-CD2 3.51Å; A281-L431 HydrophobicContact CB-CG 4.38Å; A281-F436 HydrophobicContact CB-CZ 4.28Å |
| 282 | T | 97.9 | Very high | 97.9 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | trans | -144 | 176.7 | -168.7 | -165.2 | 0 | 0 | 0 | 0 | 112 | A278 H286 F298 L304 P311 L431 | A278-T282 PolarHBondContact O-N 3.3Å; T282-H286 PolarHBondContact OG1-NE2 3.49Å; T282-F298 HydrophobicContact CG2-CD1 4.44Å; T282-F298 HydrophobicContact CG2-CE1 3.9Å; T282-L304 HydrophobicContact CG2-CD1 3.89Å; T282-L304 HydrophobicContact CG2-CD2 4.37Å; T282-P311 WeakPolarHBondContact O-CG 3.39Å; T282-L431 HydrophobicContact CG2-CD2 3.99Å | ||
| 283 | D | 97.4 | Very high | 97.8 | Very high | 27 Ų | 27 | 35 Ų | 35 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | trans | -126.5 | 178 | -175.6 | 66.1 | 57.1 | 0 | 0 | 0 | 112.8 | S285 H286 P308 P311 | D283-S285 VanDerWaalsContact C-N 3.31Å; D283-S285 PolarHBondContact O-N 2.86Å; D283-S285 WeakPolarHBondContact OD1-CB 3.4Å; D283-S285 PolarHBondContact OD1-N 2.75Å; D283-S285 PolarHBondContact OD1-OG 2.8Å; D283-H286 PolarHBondContact O-CD2 2.84Å; D283-P308 WeakPolarHBondContact OD2-CA 3.45Å; D283-P308 WeakPolarHBondContact OD2-CB 3.2Å; D283-P311 HydrophobicContact CB-CG 4.46Å | ||
| 284 | G | 96.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -80.8 | 1.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | H286 Y287 W288 L304 N305 | G284-H286 PolarHBondContact O-N 3.01Å; G284-H286 VanDerWaalsContact O-N 3.1Å; G284-Y287 WeakPolarHBondContact O-CD2 3.49Å; G284-Y287 PolarHBondContact O-N 2.62Å; G284-Y287 VanDerWaalsContact O-N 3.14Å; G284-W288 WeakPolarHBondContact O-CZ3 3.45Å; G284-L304 WeakPolarHBondContact CA-O 3.45Å; G284-N305 PolarHBondContact N-O 3.18Å |
| 285 | S | 96.2 | Very high | 97.7 | Very high | 62 Ų | 62 | 37.5 Ų | 37.5 | 43% | 0.434 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -60 | -24.9 | 179.7 | 63.5 | 0 | 0 | 0 | 0 | 112.8 | D283 Y287 W288 | D283-S285 VanDerWaalsContact C-N 3.31Å; D283-S285 PolarHBondContact O-N 2.86Å; D283-S285 WeakPolarHBondContact OD1-CB 3.4Å; D283-S285 PolarHBondContact OD1-N 2.75Å; D283-S285 PolarHBondContact OD1-OG 2.8Å; S285-Y287 PolarHBondContact O-N 3.08Å; S285-W288 PolarHBondContact O-N 3.31Å |
| 286 | H | 96.3 | Very high | 97.6 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 25% | 0.25 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -65.6 | -19.4 | 178.2 | -64 | -76.9 | 0 | 0 | 0 | 114.5 | T282 D283 G284 W288 A289 A295 F298 | T282-H286 PolarHBondContact OG1-NE2 3.49Å; D283-H286 PolarHBondContact O-CD2 2.84Å; G284-H286 PolarHBondContact O-N 3.01Å; G284-H286 VanDerWaalsContact O-N 3.1Å; H286-W288 PolarHBondContact O-N 2.94Å; H286-A289 VanDerWaalsContact O-CB 3.25Å; H286-A289 WeakPolarHBondContact O-CB 3.39Å; H286-A289 PolarHBondContact O-N 2.79Å; H286-A295 WeakPolarHBondContact O-CA 3.38Å; H286-F298 HydrophobicContact CB-CD1 3.71Å; H286-F298 HydrophobicContact CB-CD2 3.7Å; H286-F298 HydrophobicContact CB-CE1 3.69Å; H286-F298 HydrophobicContact CB-CE2 3.68Å; H286-F298 HydrophobicContact CB-CG 3.73Å; H286-F298 HydrophobicContact CB-CZ 3.68Å; H286-F298 AromaticContact CD2-CD1 3.99Å; H286-F298 AromaticContact CD2-CE1 3.28Å; H286-F298 WeakPolarHBondContact CD2-CE1 3.42Å; H286-F298 AromaticContact CD2-CZ 3.55Å; H286-F298 AromaticContact CG-CE1 3.49Å; H286-F298 VanDerWaalsContact CG-CE1 3.49Å; H286-F298 AromaticContact CG-CE2 3.84Å; H286-F298 AromaticContact CG-CZ 3.38Å; H286-F298 AromaticContact ND1-CZ 3.76Å; H286-F298 AromaticContact NE2-CE1 4Å; H286-F298 AromaticContact NE2-CZ 4Å |
| 287 | Y | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -62.8 | -21.8 | 174.1 | -65.6 | -60.3 | 0 | 0 | 0 | 113 | P217 V221 G284 S285 F298 V299 P303 L304 | P217-Y287 HydrophobicContact CB-CD1 4.35Å; V221-Y287 HydrophobicContact CB-CD2 3.53Å; V221-Y287 HydrophobicContact CB-CE2 3.79Å; V221-Y287 HydrophobicContact CB-CG 4.11Å; V221-Y287 HydrophobicContact CG1-CD2 3.58Å; V221-Y287 HydrophobicContact CG1-CE2 4.35Å; V221-Y287 HydrophobicContact CG1-CG 3.85Å; V221-Y287 HydrophobicContact CG2-CD2 3.9Å; V221-Y287 HydrophobicContact CG2-CE2 3.98Å; G284-Y287 WeakPolarHBondContact O-CD2 3.49Å; G284-Y287 PolarHBondContact O-N 2.62Å; G284-Y287 VanDerWaalsContact O-N 3.14Å; S285-Y287 PolarHBondContact O-N 3.08Å; Y287-F298 HydrophobicContact CD1-CB 4.22Å; Y287-F298 VanDerWaalsContact CE1-C 3.49Å; Y287-F298 HydrophobicContact CE1-CB 3.73Å; Y287-F298 VanDerWaalsContact CE1-O 3.3Å; Y287-F298 WeakPolarHBondContact CE1-O 3.46Å; Y287-F298 PolarHBondContact OH-O 2.71Å; Y287-V299 HydrophobicContact CE1-CG2 4.17Å; Y287-P303 HydrophobicContact CE2-CB 4.08Å; Y287-L304 HydrophobicContact CE2-CB 4.05Å; Y287-L304 WeakPolarHBondContact CE2-O 3.2Å; Y287-L304 PolarHBondContact OH-N 3.06Å; Y287-L304 VanDerWaalsContact OH-N 3.08Å |
| 288 | W | 98.1 | Very high | 97.5 | Very high | 129 Ų | 129 | 38.4 Ų | 38.4 | 49% | 0.489 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -95.8 | 12.3 | 175.3 | -71.2 | -90.4 | 0 | 0 | 0 | 113.6 | E218 V221 L222 G284 S285 H286 K290 P306 | E218-W288 HydrophobicContact CB-CD2 4.35Å; E218-W288 HydrophobicContact CB-CG 4.42Å; E218-W288 HydrophobicContact CB-CZ2 4.41Å; V221-W288 HydrophobicContact CG1-CH2 3.55Å; V221-W288 HydrophobicContact CG1-CZ2 4.22Å; V221-W288 HydrophobicContact CG1-CZ3 3.87Å; L222-W288 HydrophobicContact CD2-CZ2 4.28Å; L222-W288 HydrophobicContact CG-CZ2 4.33Å; G284-W288 WeakPolarHBondContact O-CZ3 3.45Å; S285-W288 PolarHBondContact O-N 3.31Å; H286-W288 PolarHBondContact O-N 2.94Å; W288-K290 PolarHBondContact O-N 2.82Å; W288-P306 HydrophobicContact CH2-CB 4.31Å; W288-P306 HydrophobicContact CH2-CG 3.96Å; W288-P306 HydrophobicContact CZ3-CB 4.03Å; W288-P306 HydrophobicContact CZ3-CG 3.92Å |
| 289 | A | 97.5 | Very high | 97.5 | Very high | 34 Ų | 34 | 38.3 Ų | 38.3 | 28% | 0.281 | 20% | 0.195 | S | C | . | . | trans | -58.7 | 136.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | H286 D291 T294 A295 | H286-A289 VanDerWaalsContact O-CB 3.25Å; H286-A289 WeakPolarHBondContact O-CB 3.39Å; H286-A289 PolarHBondContact O-N 2.79Å; A289-D291 PolarHBondContact O-N 2.72Å; A289-T294 HydrophobicContact CB-CG2 3.98Å; A289-A295 HydrophobicContact CB-CB 4.16Å | ||
| 290 | K | 97.3 | Very high | 97.5 | Very high | 222 Ų | 222 | 38.6 Ų | 38.6 | 97% | 0.965 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -65.3 | -29.3 | 179.7 | -69.1 | -177.5 | 176.5 | 178.8 | 0 | 112.7 | W288 | W288-K290 PolarHBondContact O-N 2.82Š|
| 291 | D | 97.3 | Very high | 97.4 | Very high | 83 Ų | 83 | 38.7 Ų | 38.7 | 44% | 0.444 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -82.5 | 116.8 | 173.2 | 176.4 | 59.8 | 0 | 0 | 0 | 109.4 | A289 T293 T294 A295 | A289-D291 PolarHBondContact O-N 2.72Å; D291-T293 VanDerWaalsContact C-N 3.3Å; D291-T293 PolarHBondContact O-N 2.78Å; D291-T293 WeakPolarHBondContact OD2-CB 3.19Å; D291-T294 WeakPolarHBondContact O-CB 3.29Å; D291-T294 PolarHBondContact O-N 3.3Å; D291-T294 WeakPolarHBondContact OD2-CB 3.43Å; D291-T294 PolarHBondContact OD2-N 2.89Å; D291-T294 PolarHBondContact OD2-OG1 2.82Å; D291-A295 PolarHBondContact O-N 2.99Å |
| 292 | W | 97.9 | Very high | 97.4 | Very high | 61 Ų | 61 | 38.7 Ų | 38.7 | 23% | 0.231 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | -175.7 | -178.5 | 95.7 | 0 | 0 | 0 | 111.8 | T294 A295 A296 K338 A339 K342 I348 | W292-T294 VanDerWaalsContact C-N 3.34Å; W292-T294 PolarHBondContact O-N 3.46Å; W292-A295 PolarHBondContact O-N 2.93Å; W292-A296 HydrophobicContact CD2-CB 4.14Å; W292-A296 HydrophobicContact CE3-CB 3.97Å; W292-A296 HydrophobicContact CH2-CB 3.42Å; W292-A296 VanDerWaalsContact CH2-CB 3.42Å; W292-A296 HydrophobicContact CZ2-CB 3.67Å; W292-A296 HydrophobicContact CZ3-CB 3.62Å; W292-A296 VanDerWaalsContact O-CB 3.23Å; W292-A296 WeakPolarHBondContact O-CB 3.29Å; W292-A296 PolarHBondContact O-N 3.47Å; W292-K338 HydrophobicContact CH2-CB 4.26Å; W292-K338 WeakPolarHBondContact CH2-O 3.31Å; W292-A339 VanDerWaalsContact CH2-CA 3.47Å; W292-A339 HydrophobicContact CH2-CB 4.32Å; W292-A339 HydrophobicContact CZ3-CB 4.16Å; W292-K342 HydrophobicContact CH2-CB 4.41Å; W292-K342 VanDerWaalsContact CZ2-CA 3.44Å; W292-K342 HydrophobicContact CZ2-CB 4.06Å; W292-I348 HydrophobicContact CZ2-CD1 3.81Å; W292-I348 HydrophobicContact CZ2-CG1 4.17Å |
| 293 | T | 96.8 | Very high | 97.4 | Very high | 46 Ų | 46 | 38.9 Ų | 38.9 | 28% | 0.282 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 179.2 | -61.9 | 0 | 0 | 0 | 0 | 111 | D291 A296 A297 T335 V428 | D291-T293 VanDerWaalsContact C-N 3.3Å; D291-T293 PolarHBondContact O-N 2.78Å; D291-T293 WeakPolarHBondContact OD2-CB 3.19Å; T293-A296 PolarHBondContact O-N 3.34Å; T293-A297 PolarHBondContact O-N 3.19Å; T293-A297 VanDerWaalsContact O-N 3.08Å; T293-T335 HydrophobicContact CG2-CG2 3.47Å; T293-T335 VanDerWaalsContact CG2-CG2 3.47Å; T293-V428 HydrophobicContact CG2-CG2 4.1Å |
| 294 | T | 96 | Very high | 97.5 | Very high | 52 Ų | 52 | 37.6 Ų | 37.6 | 32% | 0.319 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.3 | -49.8 | 174.4 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | A289 D291 W292 A296 A297 F298 | A289-T294 HydrophobicContact CB-CG2 3.98Å; D291-T294 WeakPolarHBondContact O-CB 3.29Å; D291-T294 PolarHBondContact O-N 3.3Å; D291-T294 WeakPolarHBondContact OD2-CB 3.43Å; D291-T294 PolarHBondContact OD2-N 2.89Å; D291-T294 PolarHBondContact OD2-OG1 2.82Å; W292-T294 VanDerWaalsContact C-N 3.34Å; W292-T294 PolarHBondContact O-N 3.46Å; T294-A296 PolarHBondContact O-N 3.03Å; T294-A297 WeakPolarHBondContact O-CB 3.35Å; T294-A297 PolarHBondContact O-N 2.85Å; T294-F298 WeakPolarHBondContact O-CD2 3.4Å |
| 295 | A | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P217 H286 A289 D291 W292 A297 F298 | P217-A295 HydrophobicContact CB-CB 3.92Å; P217-A295 HydrophobicContact CG-CB 3.77Å; H286-A295 WeakPolarHBondContact O-CA 3.38Å; A289-A295 HydrophobicContact CB-CB 4.16Å; D291-A295 PolarHBondContact O-N 2.99Å; W292-A295 PolarHBondContact O-N 2.93Å; A295-A297 VanDerWaalsContact C-N 3.29Å; A295-A297 PolarHBondContact O-N 3.4Å; A295-F298 PolarHBondContact O-N 2.92Å |
| 296 | A | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.4 | -28.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P217 W292 T293 T294 F298 V299 K338 I348 | P217-A296 HydrophobicContact CG-CB 4.09Å; W292-A296 HydrophobicContact CD2-CB 4.14Å; W292-A296 HydrophobicContact CE3-CB 3.97Å; W292-A296 HydrophobicContact CH2-CB 3.42Å; W292-A296 VanDerWaalsContact CH2-CB 3.42Å; W292-A296 HydrophobicContact CZ2-CB 3.67Å; W292-A296 HydrophobicContact CZ3-CB 3.62Å; W292-A296 VanDerWaalsContact O-CB 3.23Å; W292-A296 WeakPolarHBondContact O-CB 3.29Å; W292-A296 PolarHBondContact O-N 3.47Å; T293-A296 PolarHBondContact O-N 3.34Å; T294-A296 PolarHBondContact O-N 3.03Å; A296-F298 PolarHBondContact O-N 2.76Å; A296-V299 WeakPolarHBondContact O-CB 3.31Å; A296-V299 PolarHBondContact O-N 3.4Å; A296-V299 VanDerWaalsContact O-N 3.14Å; A296-K338 HydrophobicContact CB-CB 4.38Å; A296-K338 WeakPolarHBondContact O-CD 3.4Å; A296-K338 PolarHBondContact O-NZ 3.07Å; A296-I348 HydrophobicContact CB-CD1 4.35Å |
| 297 | A | 97.5 | Very high | 97.6 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.6 | -25.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | T293 T294 A295 T352 V428 I430 | T293-A297 PolarHBondContact O-N 3.19Å; T293-A297 VanDerWaalsContact O-N 3.08Å; T294-A297 WeakPolarHBondContact O-CB 3.35Å; T294-A297 PolarHBondContact O-N 2.85Å; A295-A297 VanDerWaalsContact C-N 3.29Å; A295-A297 PolarHBondContact O-N 3.4Å; A297-T352 WeakPolarHBondContact O-CG2 3.25Å; A297-V428 HydrophobicContact CB-CB 4.29Å; A297-V428 HydrophobicContact CB-CG1 3.73Å; A297-I430 HydrophobicContact CB-CG2 4.42Å; A297-I430 WeakPolarHBondContact O-CG2 3.44Å |
| 298 | F | 97.9 | Very high | 97.6 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -5.2 | 179.9 | -71.6 | -107.4 | 0 | 0 | 0 | 113.4 | T282 H286 Y287 T294 A295 A296 M300 L304 I430 | T282-F298 HydrophobicContact CG2-CD1 4.44Å; T282-F298 HydrophobicContact CG2-CE1 3.9Å; H286-F298 HydrophobicContact CB-CD1 3.71Å; H286-F298 HydrophobicContact CB-CD2 3.7Å; H286-F298 HydrophobicContact CB-CE1 3.69Å; H286-F298 HydrophobicContact CB-CE2 3.68Å; H286-F298 HydrophobicContact CB-CG 3.73Å; H286-F298 HydrophobicContact CB-CZ 3.68Å; H286-F298 AromaticContact CD2-CD1 3.99Å; H286-F298 AromaticContact CD2-CE1 3.28Å; H286-F298 WeakPolarHBondContact CD2-CE1 3.42Å; H286-F298 AromaticContact CD2-CZ 3.55Å; H286-F298 AromaticContact CG-CE1 3.49Å; H286-F298 VanDerWaalsContact CG-CE1 3.49Å; H286-F298 AromaticContact CG-CE2 3.84Å; H286-F298 AromaticContact CG-CZ 3.38Å; H286-F298 AromaticContact ND1-CZ 3.76Å; H286-F298 AromaticContact NE2-CE1 4Å; H286-F298 AromaticContact NE2-CZ 4Å; Y287-F298 HydrophobicContact CD1-CB 4.22Å; Y287-F298 VanDerWaalsContact CE1-C 3.49Å; Y287-F298 HydrophobicContact CE1-CB 3.73Å; Y287-F298 VanDerWaalsContact CE1-O 3.3Å; Y287-F298 WeakPolarHBondContact CE1-O 3.46Å; Y287-F298 PolarHBondContact OH-O 2.71Å; T294-F298 WeakPolarHBondContact O-CD2 3.4Å; A295-F298 PolarHBondContact O-N 2.92Å; A296-F298 PolarHBondContact O-N 2.76Å; F298-M300 PolarHBondContact O-N 2.98Å; F298-M300 VanDerWaalsContact O-N 3.17Å; F298-L304 HydrophobicContact CD1-CD1 3.62Å; F298-L304 HydrophobicContact CE1-CD1 4.4Å; F298-I430 HydrophobicContact CD1-CB 4.21Å; F298-I430 HydrophobicContact CD1-CG2 4.28Å; F298-I430 HydrophobicContact CD2-CG2 4.13Å; F298-I430 HydrophobicContact CE1-CB 3.84Å; F298-I430 HydrophobicContact CE1-CG2 4.33Å; F298-I430 HydrophobicContact CE2-CB 4.23Å; F298-I430 HydrophobicContact CE2-CG2 4.18Å; F298-I430 HydrophobicContact CG-CG2 4.18Å; F298-I430 HydrophobicContact CZ-CB 3.85Å; F298-I430 HydrophobicContact CZ-CG2 4.28Å; F298-I430 VanDerWaalsContact CZ-O 3.23Å; F298-I430 WeakPolarHBondContact CZ-O 3.46Å |
| 299 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -67.3 | 115.4 | -176.8 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | P217 Y287 A296 K338 I348 E350 G351 | P217-V299 HydrophobicContact CB-CG2 3.94Å; Y287-V299 HydrophobicContact CE1-CG2 4.17Å; A296-V299 WeakPolarHBondContact O-CB 3.31Å; A296-V299 PolarHBondContact O-N 3.4Å; A296-V299 VanDerWaalsContact O-N 3.14Å; V299-K338 PolarHBondContact O-NZ 3.05Å; V299-I348 HydrophobicContact CB-CG2 3.86Å; V299-I348 HydrophobicContact CG1-CB 4.12Å; V299-I348 HydrophobicContact CG1-CG2 3.82Å; V299-I348 HydrophobicContact CG2-CD1 4.12Å; V299-I348 HydrophobicContact CG2-CG2 4.12Å; V299-E350 HydrophobicContact CG1-CG 4.3Å; V299-G351 PolarHBondContact O-N 2.85Å | ||
| 300 | M | 97.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.039 | 21% | 0.206 | C | C | . | . | trans | -152.3 | 165.1 | 176.7 | 58 | 156.6 | 55.3 | 0 | 0 | 110.5 | H220 M253 I276 A278 F298 P302 P303 L304 T352 | H220-M300 PolarHBondContact NE2-O 2.93Å; M253-M300 HydrophobicContact CE-SD 3.63Å; I276-M300 HydrophobicContact CD1-CE 3.85Å; I276-M300 HydrophobicContact CD1-SD 3.92Å; A278-M300 HydrophobicContact CB-CE 3.8Å; A278-M300 HydrophobicContact CB-SD 4.44Å; F298-M300 PolarHBondContact O-N 2.98Å; F298-M300 VanDerWaalsContact O-N 3.17Å; M300-P302 CarbonylContact C-O 3.59Å; M300-P302 CarbonylContact O-C 3.03Å; M300-P303 VanDerWaalsContact O-CA 3.31Å; M300-P303 WeakPolarHBondContact O-CA 3.34Å; M300-L304 HydrophobicContact SD-CG 4.42Å; M300-T352 HydrophobicContact CB-CG2 4.21Å; M300-T352 HydrophobicContact CE-CG2 3.4Å; M300-T352 VanDerWaalsContact CE-CG2 3.4Å; M300-T352 WeakPolarHBondContact CE-OG1 3.49Å; M300-T352 HydrophobicContact CG-CG2 4.3Å | ||
| 301 | S | 96.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.028 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -125.8 | 127.6 | 176.4 | -150.7 | 0 | 0 | 0 | 0 | 111.5 | H195 E197 H224 K251 E350 | H195-S301 PolarHBondContact CE1-O 2.81Å; E197-S301 PolarHBondContact OE2-OG 3.37Å; H224-S301 PolarHBondContact CE1-OG 3.24Å; H224-S301 PolarHBondContact ND1-OG 2.89Å; K251-S301 VanDerWaalsContact CE-O 3.3Å; K251-S301 WeakPolarHBondContact CE-O 3.46Å; K251-S301 PolarHBondContact NZ-O 2.94Å; S301-E350 WeakPolarHBondContact CB-OE2 3.41Å |
| 302 | P | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.019 | 16% | 0.164 | C | C | . | . | S | Bend | cis | -62.1 | 153.5 | -7.8 | -15.8 | 29.8 | 0 | 0 | 0 | 111.5 | E197 E229 M253 M300 | E197-P302 VanDerWaalsContact CD-CA 3.49Å; E197-P302 HydrophobicContact CG-CB 4.06Å; E197-P302 HydrophobicContact CG-CG 3.81Å; E197-P302 WeakPolarHBondContact OE2-CA 3.45Å; E197-P302 WeakPolarHBondContact OE2-CG 3.39Å; E197-P302 VanDerWaalsContact OE2-N 3.16Å; E229-P302 HydrophobicContact CG-CG 4.36Å; M253-P302 HydrophobicContact CB-CB 4.09Å; M253-P302 HydrophobicContact CG-CB 3.88Å; M253-P302 HydrophobicContact CG-CG 4.17Å; M300-P302 CarbonylContact C-O 3.59Å; M300-P302 CarbonylContact O-C 3.03Å |
| 303 | P | 98.2 | Very high | 97.8 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 7% | 0.065 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 160.1 | 179.5 | 32.3 | -39.9 | 0 | 0 | 0 | 111.4 | V221 H224 M253 Y287 M300 N305 | V221-P303 HydrophobicContact CB-CB 4.11Å; V221-P303 HydrophobicContact CB-CG 4.5Å; V221-P303 HydrophobicContact CG2-CB 3.98Å; V221-P303 HydrophobicContact CG2-CG 4.1Å; H224-P303 HydrophobicContact CB-CG 3.6Å; H224-P303 WeakPolarHBondContact O-CG 3.46Å; M253-P303 WeakPolarHBondContact CB-O 3.43Å; Y287-P303 HydrophobicContact CE2-CB 4.08Å; M300-P303 VanDerWaalsContact O-CA 3.31Å; M300-P303 WeakPolarHBondContact O-CA 3.34Å; P303-N305 PolarHBondContact O-N 3.45Å |
| 304 | L | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 133.3 | 165.7 | -78.1 | 160.8 | 0 | 0 | 0 | 110 | M253 A278 T282 G284 Y287 F298 M300 | M253-L304 HydrophobicContact CE-CB 4.43Å; M253-L304 HydrophobicContact CE-CD2 3.39Å; M253-L304 HydrophobicContact CE-CG 3.75Å; A278-L304 HydrophobicContact CB-CD1 4.45Å; A278-L304 HydrophobicContact CB-CD2 4.09Å; T282-L304 HydrophobicContact CG2-CD1 3.89Å; T282-L304 HydrophobicContact CG2-CD2 4.37Å; G284-L304 WeakPolarHBondContact CA-O 3.45Å; Y287-L304 HydrophobicContact CE2-CB 4.05Å; Y287-L304 WeakPolarHBondContact CE2-O 3.2Å; Y287-L304 PolarHBondContact OH-N 3.06Å; Y287-L304 VanDerWaalsContact OH-N 3.08Å; F298-L304 HydrophobicContact CD1-CD1 3.62Å; F298-L304 HydrophobicContact CE1-CD1 4.4Å; M300-L304 HydrophobicContact SD-CG 4.42Å |
| 305 | N | 97.7 | Very high | 98 | Very high | 16 Ų | 16 | 24.6 Ų | 24.6 | 9% | 0.086 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -71 | 130.2 | -178.4 | -166.8 | -65.4 | 0 | 0 | 0 | 111 | E226 G284 P303 D307 T310 | E226-N305 PolarHBondContact OE2-ND2 3.1Å; G284-N305 PolarHBondContact N-O 3.18Å; P303-N305 PolarHBondContact O-N 3.45Å; N305-D307 PolarHBondContact O-N 3.42Å; N305-D307 VanDerWaalsContact OD1-CB 3.24Å; N305-D307 WeakPolarHBondContact OD1-CB 3.33Å; N305-D307 PolarHBondContact OD1-N 3.17Å; N305-T310 HydrophobicContact CB-CG2 3.84Å; N305-T310 PolarHBondContact OD1-OG1 2.88Å |
| 306 | P | 96.7 | Very high | 98 | Very high | 55 Ų | 55 | 26.3 Ų | 26.3 | 36% | 0.357 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -64.8 | -16.1 | 178.6 | -23.3 | 34.3 | 0 | 0 | 0 | 115.4 | V221 W288 P308 | V221-P306 HydrophobicContact CG2-CG 3.67Å; W288-P306 HydrophobicContact CH2-CB 4.31Å; W288-P306 HydrophobicContact CH2-CG 3.96Å; W288-P306 HydrophobicContact CZ3-CB 4.03Å; W288-P306 HydrophobicContact CZ3-CG 3.92Å; P306-P308 VanDerWaalsContact O-CD 3.31Å; P306-P308 WeakPolarHBondContact O-CD 3.45Å |
| 307 | D | 97.8 | Very high | 98 | Very high | 58 Ų | 58 | 26.9 Ų | 26.9 | 31% | 0.31 | 15% | 0.154 | S | C | . | . | trans | -71.5 | 114.4 | 174.8 | -179.8 | -17.1 | 0 | 0 | 0 | 110.1 | K255 N305 S309 T310 | K255-D307 VanDerWaalsContact NZ-CG 3.32Å; K255-D307 IonicContact NZ-OD1 2.67Å; K255-D307 IonicContact NZ-OD2 2.96Å; K255-D307 PolarHBondContact NZ-OD2 2.81Å; N305-D307 PolarHBondContact O-N 3.42Å; N305-D307 VanDerWaalsContact OD1-CB 3.24Å; N305-D307 WeakPolarHBondContact OD1-CB 3.33Å; N305-D307 PolarHBondContact OD1-N 3.17Å; D307-S309 PolarHBondContact O-N 3.18Å; D307-S309 WeakPolarHBondContact OD1-CB 3.46Å; D307-S309 PolarHBondContact OD1-N 3.34Å; D307-S309 PolarHBondContact OD1-OG 3.28Å; D307-S309 PolarHBondContact OD2-OG 3.12Å; D307-T310 VanDerWaalsContact O-CB 3.29Å; D307-T310 WeakPolarHBondContact O-CB 3.37Å; D307-T310 PolarHBondContact O-N 2.88Å; D307-T310 PolarHBondContact O-OG1 3.44Å | ||
| 308 | P | 97.4 | Very high | 98.1 | Very high | 95 Ų | 95 | 26.4 Ų | 26.4 | 62% | 0.617 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -11.4 | -174.9 | 29.2 | -37 | 0 | 0 | 0 | 113.7 | D283 P306 | D283-P308 WeakPolarHBondContact OD2-CA 3.45Å; D283-P308 WeakPolarHBondContact OD2-CB 3.2Å; P306-P308 VanDerWaalsContact O-CD 3.31Å; P306-P308 WeakPolarHBondContact O-CD 3.45Å |
| 309 | S | 98.2 | Very high | 98.1 | Very high | 56 Ų | 56 | 26.8 Ų | 26.8 | 39% | 0.392 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -0.7 | 175.3 | 62.3 | 0 | 0 | 0 | 0 | 113.6 | K255 D307 Y313 | K255-S309 VanDerWaalsContact CE-C 3.49Å; K255-S309 WeakPolarHBondContact CE-O 3.11Å; K255-S309 PolarHBondContact NZ-OG 3.23Å; D307-S309 PolarHBondContact O-N 3.18Å; D307-S309 WeakPolarHBondContact OD1-CB 3.46Å; D307-S309 PolarHBondContact OD1-N 3.34Å; D307-S309 PolarHBondContact OD1-OG 3.28Å; D307-S309 PolarHBondContact OD2-OG 3.12Å; S309-Y313 WeakPolarHBondContact O-CB 3.46Å; S309-Y313 PolarHBondContact O-N 2.93Å; S309-Y313 VanDerWaalsContact O-N 3.14Å |
| 310 | T | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.4 | -48.5 | 176.3 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | M253 K255 N305 D307 Q312 Y313 L314 | M253-T310 WeakPolarHBondContact O-CG2 3.36Å; K255-T310 VanDerWaalsContact CE-CA 3.45Å; K255-T310 HydrophobicContact CG-CG2 4.18Å; N305-T310 HydrophobicContact CB-CG2 3.84Å; N305-T310 PolarHBondContact OD1-OG1 2.88Å; D307-T310 VanDerWaalsContact O-CB 3.29Å; D307-T310 WeakPolarHBondContact O-CB 3.37Å; D307-T310 PolarHBondContact O-N 2.88Å; D307-T310 PolarHBondContact O-OG1 3.44Å; T310-Q312 VanDerWaalsContact C-N 3.35Å; T310-Q312 PolarHBondContact O-N 2.91Å; T310-Y313 WeakPolarHBondContact O-CB 3.4Å; T310-Y313 PolarHBondContact O-N 2.83Å; T310-L314 HydrophobicContact CG2-CD1 3.9Å; T310-L314 HydrophobicContact CG2-CG 4.06Å; T310-L314 WeakPolarHBondContact O-CG 3.23Å; T310-L314 PolarHBondContact O-N 3.25Å |
| 311 | P | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 31.8 Ų | 31.8 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.2 | -47.7 | -178.5 | -27.4 | 37.8 | 0 | 0 | 0 | 112.5 | G279 T282 D283 Y313 L314 T315 | G279-P311 VanDerWaalsContact O-CA 3.25Å; G279-P311 WeakPolarHBondContact O-CA 3.27Å; G279-P311 WeakPolarHBondContact O-CB 3.49Å; T282-P311 WeakPolarHBondContact O-CG 3.39Å; D283-P311 HydrophobicContact CB-CG 4.46Å; P311-Y313 VanDerWaalsContact C-N 3.26Å; P311-Y313 PolarHBondContact O-N 3.14Å; P311-L314 PolarHBondContact O-N 2.62Å; P311-T315 PolarHBondContact O-N 3.43Å; P311-T315 PolarHBondContact O-OG1 3.13Å |
| 312 | Q | 98.4 | Very high | 98.2 | Very high | 94 Ų | 94 | 34 Ų | 34 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.8 | -34.8 | 177.6 | -177.8 | 67.8 | -9.2 | 0 | 0 | 112.9 | T310 S316 | T310-Q312 VanDerWaalsContact C-N 3.35Å; T310-Q312 PolarHBondContact O-N 2.91Å; Q312-S316 PolarHBondContact O-N 3.37Å; Q312-S316 VanDerWaalsContact O-N 3.16Å; Q312-S316 PolarHBondContact O-OG 3.4Å |
| 313 | Y | 98.8 | Very high | 98.2 | Very high | 77 Ų | 77 | 33.9 Ų | 33.9 | 30% | 0.302 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70 | -49.5 | 176.4 | -169.2 | -99.4 | 0 | 0 | 0 | 111.2 | K255 D259 S309 T310 P311 T315 S316 L317 | K255-Y313 HydrophobicContact CB-CD1 3.53Å; K255-Y313 HydrophobicContact CB-CE1 3.71Å; K255-Y313 HydrophobicContact CB-CG 4.26Å; K255-Y313 HydrophobicContact CD-CD1 4.01Å; K255-Y313 HydrophobicContact CD-CD2 4.41Å; K255-Y313 HydrophobicContact CD-CG 3.88Å; K255-Y313 HydrophobicContact CG-CD1 3.48Å; K255-Y313 VanDerWaalsContact CG-CD1 3.48Å; K255-Y313 HydrophobicContact CG-CE1 4.18Å; K255-Y313 HydrophobicContact CG-CG 3.8Å; D259-Y313 PolarHBondContact OD1-OH 2.83Å; S309-Y313 WeakPolarHBondContact O-CB 3.46Å; S309-Y313 PolarHBondContact O-N 2.93Å; S309-Y313 VanDerWaalsContact O-N 3.14Å; T310-Y313 WeakPolarHBondContact O-CB 3.4Å; T310-Y313 PolarHBondContact O-N 2.83Å; P311-Y313 VanDerWaalsContact C-N 3.26Å; P311-Y313 PolarHBondContact O-N 3.14Å; Y313-T315 VanDerWaalsContact C-N 3.3Å; Y313-T315 PolarHBondContact O-N 2.65Å; Y313-S316 WeakPolarHBondContact O-CA 3.18Å; Y313-S316 WeakPolarHBondContact O-CB 3.03Å; Y313-S316 PolarHBondContact O-N 2.57Å; Y313-L317 HydrophobicContact CD1-CD1 3.88Å; Y313-L317 HydrophobicContact CD1-CD2 4.3Å; Y313-L317 HydrophobicContact CD2-CD1 4.42Å; Y313-L317 HydrophobicContact CE1-CD1 3.54Å; Y313-L317 HydrophobicContact CE1-CD2 3.72Å; Y313-L317 HydrophobicContact CE1-CG 4.3Å; Y313-L317 HydrophobicContact CE2-CD1 4.09Å; Y313-L317 HydrophobicContact CG-CD1 4.33Å; Y313-L317 WeakPolarHBondContact O-CD1 3.4Å; Y313-L317 PolarHBondContact O-N 3.32Å |
| 314 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 176.3 | -64.8 | -178.8 | 0 | 0 | 0 | 111.5 | V252 A258 L280 T310 P311 S316 L317 L318 L323 | V252-L314 HydrophobicContact CG1-CD2 4.39Å; A258-L314 HydrophobicContact CB-CD2 3.7Å; L280-L314 HydrophobicContact CD2-CB 3.86Å; T310-L314 HydrophobicContact CG2-CD1 3.9Å; T310-L314 HydrophobicContact CG2-CG 4.06Å; T310-L314 WeakPolarHBondContact O-CG 3.23Å; T310-L314 PolarHBondContact O-N 3.25Å; P311-L314 PolarHBondContact O-N 2.62Å; L314-S316 VanDerWaalsContact C-N 3.27Å; L314-S316 PolarHBondContact O-N 3.08Å; L314-L317 PolarHBondContact O-N 3.33Å; L314-L318 WeakPolarHBondContact O-CB 3.17Å; L314-L318 PolarHBondContact O-N 2.97Å; L314-L323 HydrophobicContact CD2-CD1 4.07Å |
| 315 | T | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -38.1 | 172.7 | -52.2 | 0 | 0 | 0 | 0 | 112 | P311 Y313 L318 A319 R365 A366 K371 | P311-T315 PolarHBondContact O-N 3.43Å; P311-T315 PolarHBondContact O-OG1 3.13Å; Y313-T315 VanDerWaalsContact C-N 3.3Å; Y313-T315 PolarHBondContact O-N 2.65Å; T315-L318 PolarHBondContact O-N 3.36Å; T315-A319 WeakPolarHBondContact O-CB 3.3Å; T315-A319 PolarHBondContact O-N 3Å; T315-R365 HydrophobicContact CG2-CB 4.33Å; T315-A366 HydrophobicContact CG2-CB 3.65Å; T315-K371 HydrophobicContact CG2-CD 3.69Å |
| 316 | S | 98.6 | Very high | 98.2 | Very high | 37 Ų | 37 | 33.2 Ų | 33.2 | 26% | 0.259 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.3 | -40.3 | 178.6 | -53 | 0 | 0 | 0 | 0 | 111.7 | Q312 Y313 L314 L318 A319 C320 K371 | Q312-S316 PolarHBondContact O-N 3.37Å; Q312-S316 VanDerWaalsContact O-N 3.16Å; Q312-S316 PolarHBondContact O-OG 3.4Å; Y313-S316 WeakPolarHBondContact O-CA 3.18Å; Y313-S316 WeakPolarHBondContact O-CB 3.03Å; Y313-S316 PolarHBondContact O-N 2.57Å; L314-S316 VanDerWaalsContact C-N 3.27Å; L314-S316 PolarHBondContact O-N 3.08Å; S316-L318 VanDerWaalsContact C-N 3.31Å; S316-A319 PolarHBondContact O-N 2.99Å; S316-C320 PolarHBondContact O-N 2.69Å; S316-C320 PolarHBondContact O-SG 2.66Å; S316-C320 VanDerWaalsContact O-SG 3.35Å; S316-K371 PolarHBondContact OG-NZ 2.88Å |
| 317 | L | 98.7 | Very high | 98.3 | Very high | 12 Ų | 12 | 30.6 Ų | 30.6 | 6% | 0.063 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.9 | -30.4 | 176.2 | -89.9 | 64.5 | 0 | 0 | 0 | 112.3 | A258 Y313 L314 G321 D322 L323 | A258-L317 HydrophobicContact CB-CD2 3.4Å; A258-L317 VanDerWaalsContact CB-CD2 3.4Å; Y313-L317 HydrophobicContact CD1-CD1 3.88Å; Y313-L317 HydrophobicContact CD1-CD2 4.3Å; Y313-L317 HydrophobicContact CD2-CD1 4.42Å; Y313-L317 HydrophobicContact CE1-CD1 3.54Å; Y313-L317 HydrophobicContact CE1-CD2 3.72Å; Y313-L317 HydrophobicContact CE1-CG 4.3Å; Y313-L317 HydrophobicContact CE2-CD1 4.09Å; Y313-L317 HydrophobicContact CG-CD1 4.33Å; Y313-L317 WeakPolarHBondContact O-CD1 3.4Å; Y313-L317 PolarHBondContact O-N 3.32Å; L314-L317 PolarHBondContact O-N 3.33Å; L317-G321 PolarHBondContact O-N 3.22Å; L317-D322 HydrophobicContact CB-CB 4.18Å; L317-D322 HydrophobicContact CG-CB 4.14Å; L317-D322 WeakPolarHBondContact O-CA 3.42Å; L317-D322 PolarHBondContact O-N 3.1Å; L317-L323 HydrophobicContact CB-CD1 3.98Å; L317-L323 HydrophobicContact CB-CG 4.09Å; L317-L323 PolarHBondContact O-N 3.48Å |
| 318 | L | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.1 | -47.9 | 169.9 | -174.5 | 68.2 | 0 | 0 | 0 | 111.1 | P275 L280 L314 T315 S316 C320 G321 L323 T326 M372 V380 | P275-L318 HydrophobicContact CG-CD1 4.2Å; L280-L318 HydrophobicContact CD1-CD2 4.25Å; L314-L318 WeakPolarHBondContact O-CB 3.17Å; L314-L318 PolarHBondContact O-N 2.97Å; T315-L318 PolarHBondContact O-N 3.36Å; S316-L318 VanDerWaalsContact C-N 3.31Å; L318-C320 PolarHBondContact O-N 3.48Å; L318-G321 PolarHBondContact O-N 3.27Å; L318-G321 VanDerWaalsContact O-N 3.13Å; L318-L323 HydrophobicContact CB-CB 4.42Å; L318-L323 HydrophobicContact CD1-CB 4.1Å; L318-T326 HydrophobicContact CD1-CG2 3.78Å; L318-T326 HydrophobicContact CD2-CG2 3.37Å; L318-T326 HydrophobicContact CG-CG2 4.22Å; L318-M372 HydrophobicContact CD2-CE 4.13Å; L318-M372 HydrophobicContact CG-CE 3.98Å; L318-V380 HydrophobicContact CD1-CB 3.96Å; L318-V380 HydrophobicContact CD1-CG1 3.78Å; L318-V380 HydrophobicContact CD2-CB 4.41Å; L318-V380 HydrophobicContact CD2-CG2 4.14Å; L318-V380 HydrophobicContact CG-CB 4.26Å; L318-V380 HydrophobicContact CG-CG1 4.01Å; L318-V380 HydrophobicContact CG-CG2 4.4Å |
| 319 | A | 98.1 | Very high | 98.3 | Very high | 14 Ų | 14 | 23.7 Ų | 23.7 | 12% | 0.116 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | T315 S316 G321 K371 M372 | T315-A319 WeakPolarHBondContact O-CB 3.3Å; T315-A319 PolarHBondContact O-N 3Å; S316-A319 PolarHBondContact O-N 2.99Å; A319-G321 PolarHBondContact O-N 3.14Å; A319-K371 HydrophobicContact CB-CB 4.11Å; A319-K371 WeakPolarHBondContact CB-O 3.37Å; A319-M372 HydrophobicContact CB-CB 4.26Å; A319-M372 HydrophobicContact CB-CE 4.15Å |
| 320 | C | 97.4 | Very high | 98.3 | Very high | 84 Ų | 84 | 21 Ų | 21 | 57% | 0.568 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 3.4 | 177 | 69.9 | 0 | 0 | 0 | 0 | 114.4 | S316 L318 D322 | S316-C320 PolarHBondContact O-N 2.69Å; S316-C320 PolarHBondContact O-SG 2.66Å; S316-C320 VanDerWaalsContact O-SG 3.35Å; L318-C320 PolarHBondContact O-N 3.48Å; C320-D322 PolarHBondContact O-N 2.75Å; C320-D322 PolarHBondContact SG-OD2 3.18Å; C320-D322 VanDerWaalsContact SG-OD2 3.34Å |
| 321 | G | 97.5 | Very high | 98.1 | Very high | 30 Ų | 30 | 21.2 Ų | 21.2 | 31% | 0.309 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 17 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R265 L317 L318 A319 L323 Q324 | R265-G321 PolarHBondContact NH2-O 3.01Å; L317-G321 PolarHBondContact O-N 3.22Å; L318-G321 PolarHBondContact O-N 3.27Å; L318-G321 VanDerWaalsContact O-N 3.13Å; A319-G321 PolarHBondContact O-N 3.14Å; G321-L323 CarbonylContact C-O 3.51Å; G321-Q324 PolarHBondContact O-NE2 3.12Å |
| 322 | D | 98.4 | Very high | 97.9 | Very high | 51 Ų | 51 | 20.6 Ų | 20.6 | 27% | 0.273 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -77.3 | -28.9 | 170.3 | -80.9 | -35.3 | 0 | 0 | 0 | 112.2 | A262 R265 L317 C320 Q324 | A262-D322 HydrophobicContact CB-CB 3.86Å; R265-D322 WeakPolarHBondContact CD-O 3.4Å; L317-D322 HydrophobicContact CB-CB 4.18Å; L317-D322 HydrophobicContact CG-CB 4.14Å; L317-D322 WeakPolarHBondContact O-CA 3.42Å; L317-D322 PolarHBondContact O-N 3.1Å; C320-D322 PolarHBondContact O-N 2.75Å; C320-D322 PolarHBondContact SG-OD2 3.18Å; C320-D322 VanDerWaalsContact SG-OD2 3.34Å; D322-Q324 PolarHBondContact O-NE2 3.03Å |
| 323 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -108.7 | 150.3 | 159.2 | -58.4 | 171.5 | 0 | 0 | 0 | 108.7 | V252 A258 I261 P275 L314 L317 L318 G321 | V252-L323 HydrophobicContact CG1-CD2 4.3Å; V252-L323 HydrophobicContact CG2-CD2 4.34Å; A258-L323 HydrophobicContact CB-CD1 4.26Å; A258-L323 HydrophobicContact CB-CD2 4.44Å; I261-L323 HydrophobicContact CD1-CD2 4.2Å; I261-L323 HydrophobicContact CG2-CD2 4.5Å; P275-L323 HydrophobicContact CB-CD1 4.16Å; P275-L323 HydrophobicContact CG-CB 4.16Å; P275-L323 HydrophobicContact CG-CD1 3.8Å; L314-L323 HydrophobicContact CD2-CD1 4.07Å; L317-L323 HydrophobicContact CB-CD1 3.98Å; L317-L323 HydrophobicContact CB-CG 4.09Å; L317-L323 PolarHBondContact O-N 3.48Å; L318-L323 HydrophobicContact CB-CB 4.42Å; L318-L323 HydrophobicContact CD1-CB 4.1Å; G321-L323 CarbonylContact C-O 3.51Å |
| 324 | Q | 97.9 | Very high | 97.8 | Very high | 12 Ų | 12 | 13.9 Ų | 13.9 | 6% | 0.056 | 10% | 0.095 | C | C | . | . | trans | -125.8 | -29.7 | -165.8 | -65.6 | 76.5 | 52.8 | 0 | 0 | 115.3 | R265 Y272 G273 G321 D322 N384 | R265-Q324 VanDerWaalsContact CZ-CD 3.46Å; Y272-Q324 HydrophobicContact CD1-CB 4.31Å; Y272-Q324 HydrophobicContact CD1-CG 4.18Å; G273-Q324 PolarHBondContact O-N 3.43Å; G321-Q324 PolarHBondContact O-NE2 3.12Å; D322-Q324 PolarHBondContact O-NE2 3.03Å; Q324-N384 VanDerWaalsContact O-CB 3.28Å; Q324-N384 WeakPolarHBondContact O-CB 3.44Å; Q324-N384 PolarHBondContact O-ND2 3.26Å | ||
| 325 | V | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -129 | 145 | -172.5 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | A69 Y248 E274 P275 N384 A385 | A69-V325 HydrophobicContact CB-CG1 4.13Å; Y248-V325 HydrophobicContact CE2-CB 4.28Å; Y248-V325 HydrophobicContact CE2-CG2 4.13Å; Y248-V325 WeakPolarHBondContact OH-CB 3.06Å; Y248-V325 VanDerWaalsContact OH-CG1 3.25Å; Y248-V325 WeakPolarHBondContact OH-CG1 3.47Å; E274-V325 WeakPolarHBondContact CA-O 3.38Å; P275-V325 VanDerWaalsContact CD-O 3.3Å; P275-V325 WeakPolarHBondContact CD-O 3.37Å; V325-N384 HydrophobicContact CG2-CB 4.01Å; V325-A385 HydrophobicContact CG1-CB 3.92Å | ||
| 326 | T | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | trans | -122.6 | 134.9 | 174.2 | 54 | 0 | 0 | 0 | 0 | 110.5 | P275 L280 L318 R358 I362 V380 | P275-T326 HydrophobicContact CG-CG2 4.35Å; L280-T326 HydrophobicContact CD1-CG2 3.92Å; L318-T326 HydrophobicContact CD1-CG2 3.78Å; L318-T326 HydrophobicContact CD2-CG2 3.37Å; L318-T326 HydrophobicContact CG-CG2 4.22Å; T326-R358 PolarHBondContact O-NH1 3.27Å; T326-I362 HydrophobicContact CG2-CD1 3.79Å; T326-I362 HydrophobicContact CG2-CG1 4.4Å; T326-I362 WeakPolarHBondContact OG1-CD1 3.3Å; T326-V380 HydrophobicContact CG2-CB 4.47Å; T326-V380 PolarHBondContact N-O 3.41Å; T326-V380 VanDerWaalsContact N-O 3.08Å; T326-V380 PolarHBondContact OG1-O 2.92Å | ||
| 327 | S | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -135.1 | 166.8 | -178.9 | -58.6 | 0 | 0 | 0 | 0 | 110.1 | D68 A69 N70 E274 P275 I276 T277 | D68-S327 WeakPolarHBondContact OD1-CA 3.48Å; D68-S327 WeakPolarHBondContact OD1-CB 3.42Å; A69-S327 WeakPolarHBondContact CA-OG 3.49Å; A69-S327 WeakPolarHBondContact CB-OG 3.2Å; A69-S327 PolarHBondContact N-OG 2.99Å; A69-S327 VanDerWaalsContact N-OG 3.14Å; N70-S327 VanDerWaalsContact CB-CB 3.45Å; N70-S327 PolarHBondContact N-OG 3.16Å; E274-S327 VanDerWaalsContact CD-OG 3.32Å; E274-S327 WeakPolarHBondContact OE1-CB 3.35Å; E274-S327 PolarHBondContact OE1-OG 3.46Å; P275-S327 PolarHBondContact O-N 2.96Å; I276-S327 CarbonylContact C-O 3.56Å; I276-S327 WeakPolarHBondContact CA-O 3.2Å; I276-S327 WeakPolarHBondContact CB-O 3.29Å; T277-S327 PolarHBondContact N-O 3.26Å |
| 328 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -84.6 | -30.9 | 176.3 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | D68 Q330 G354 I355 | D68-S328 PolarHBondContact OD1-N 3.07Å; D68-S328 WeakPolarHBondContact OD2-CB 3.49Å; D68-S328 PolarHBondContact OD2-N 3.22Å; D68-S328 VanDerWaalsContact OD2-N 3.16Å; D68-S328 PolarHBondContact OD2-OG 2.88Å; S328-Q330 PolarHBondContact O-N 2.97Å; S328-Q330 WeakPolarHBondContact OG-CB 3.43Å; S328-Q330 PolarHBondContact OG-N 3.42Å; S328-Q330 VanDerWaalsContact OG-N 3.14Å; S328-G354 VanDerWaalsContact CB-C 3.44Å; S328-G354 WeakPolarHBondContact CB-O 3.24Å; S328-I355 VanDerWaalsContact CB-CA 3.49Å | ||
| 329 | A | 97.3 | Very high | 97.6 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 6% | 0.058 | 14% | 0.142 | C | C | . | . | trans | 51.5 | 36.7 | -162.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N70 K251 I276 A331 | N70-A329 WeakPolarHBondContact O-CA 3.46Å; N70-A329 PolarHBondContact O-N 2.79Å; K251-A329 HydrophobicContact CD-CB 3.99Å; K251-A329 HydrophobicContact CG-CB 3.98Å; I276-A329 HydrophobicContact CB-CB 4.3Å; I276-A329 HydrophobicContact CD1-CB 3.86Å; I276-A329 HydrophobicContact CG2-CB 3.8Å; A329-A331 PolarHBondContact O-N 3.21Å; A329-A331 VanDerWaalsContact O-N 3.13Å | ||
| 330 | Q | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -53.1 | 119 | 179.7 | -179.2 | 72.1 | 28.2 | 0 | 0 | 110.9 | T71 N72 L73 S328 S353 I355 | T71-Q330 HydrophobicContact CG2-CB 4.46Å; N72-Q330 CarbonylContact C-O 3.59Å; N72-Q330 WeakPolarHBondContact CA-O 3.31Å; N72-Q330 PolarHBondContact N-O 2.65Å; L73-Q330 HydrophobicContact CD2-CG 3.82Å; S328-Q330 PolarHBondContact O-N 2.97Å; S328-Q330 WeakPolarHBondContact OG-CB 3.43Å; S328-Q330 PolarHBondContact OG-N 3.42Å; S328-Q330 VanDerWaalsContact OG-N 3.14Å; Q330-S353 VanDerWaalsContact OE1-CA 3.29Å; Q330-I355 HydrophobicContact CB-CB 3.91Å; Q330-I355 HydrophobicContact CB-CD1 4.21Å; Q330-I355 HydrophobicContact CG-CB 3.96Å; Q330-I355 HydrophobicContact CG-CD1 4.29Å; Q330-I355 HydrophobicContact CG-CG2 4.02Å |
| 331 | A | 96.2 | Very high | 97.6 | Very high | 8 Ų | 8 | 19.8 Ų | 19.8 | 7% | 0.066 | 13% | 0.134 | C | C | . | . | trans | -153.9 | 89.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | N72 A329 F333 G351 T352 | N72-A331 HydrophobicContact CB-CB 4Å; A329-A331 PolarHBondContact O-N 3.21Å; A329-A331 VanDerWaalsContact O-N 3.13Å; A331-F333 HydrophobicContact CB-CE2 4.37Å; A331-G351 CarbonylContact O-C 3.5Å; A331-G351 WeakPolarHBondContact O-CA 3.34Å; A331-T352 CarbonylContact C-O 3.53Å; A331-T352 PolarHBondContact N-O 2.82Å; A331-T352 PolarHBondContact O-N 2.98Å | ||
| 332 | S | 94.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -95.1 | 133.7 | -170.2 | 47.1 | 0 | 0 | 0 | 0 | 112.4 | P82 C83 D84 | P82-S332 CarbonylContact C-O 3.38Å; P82-S332 WeakPolarHBondContact CA-O 3.49Å; C83-S332 PolarHBondContact N-O 3.18Å; C83-S332 PolarHBondContact SG-O 3.1Å; D84-S332 WeakPolarHBondContact CB-OG 3.44Å; D84-S332 PolarHBondContact N-OG 3.34Å; D84-S332 WeakPolarHBondContact OD2-CB 2.9Å; D84-S332 PolarHBondContact OD2-OG 3.36Å | ||
| 333 | F | 97.3 | Very high | 97.6 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | trans | -130 | 129.4 | 172.7 | -61.7 | -81.6 | 0 | 0 | 0 | 108.9 | Q77 L80 P82 A331 Q337 K338 P349 E350 L426 | Q77-F333 HydrophobicContact CB-CE1 4Å; Q77-F333 HydrophobicContact CB-CE2 4.07Å; Q77-F333 HydrophobicContact CB-CZ 3.44Å; Q77-F333 VanDerWaalsContact CB-CZ 3.44Å; Q77-F333 HydrophobicContact CG-CE1 4.47Å; Q77-F333 HydrophobicContact CG-CE2 3.9Å; Q77-F333 HydrophobicContact CG-CZ 3.48Å; Q77-F333 VanDerWaalsContact CG-CZ 3.48Å; L80-F333 HydrophobicContact CB-CD1 4.4Å; L80-F333 HydrophobicContact CB-CE1 4.28Å; P82-F333 HydrophobicContact CG-CE1 4.36Å; P82-F333 HydrophobicContact CG-CZ 4.15Å; A331-F333 HydrophobicContact CB-CE2 4.37Å; F333-Q337 VanDerWaalsContact CA-OE1 3.29Å; F333-Q337 HydrophobicContact CB-CB 4.02Å; F333-Q337 HydrophobicContact CD1-CB 4.48Å; F333-K338 HydrophobicContact CB-CD 4.37Å; F333-K338 HydrophobicContact CB-CG 4.28Å; F333-P349 HydrophobicContact CB-CB 4.4Å; F333-P349 HydrophobicContact CB-CG 3.92Å; F333-P349 HydrophobicContact CD1-CB 3.79Å; F333-P349 HydrophobicContact CD1-CG 4.01Å; F333-P349 HydrophobicContact CD2-CB 3.89Å; F333-P349 HydrophobicContact CD2-CG 4.31Å; F333-P349 HydrophobicContact CE1-CB 4.03Å; F333-P349 HydrophobicContact CE2-CB 4.14Å; F333-P349 HydrophobicContact CG-CB 3.73Å; F333-P349 HydrophobicContact CG-CG 3.8Å; F333-P349 HydrophobicContact CZ-CB 4.22Å; F333-E350 VanDerWaalsContact CE2-O 3.3Å; F333-E350 WeakPolarHBondContact CE2-O 3.27Å; F333-L426 WeakPolarHBondContact O-CD2 3.37Å | ||
| 334 | S | 97.1 | Very high | 97.6 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 15% | 0.154 | 17% | 0.168 | C | C | . | . | trans | -61.1 | 162.6 | 179.5 | 71.4 | 0 | 0 | 0 | 0 | 111.6 | A336 Q337 K338 | S334-A336 PolarHBondContact O-N 2.89Å; S334-A336 VanDerWaalsContact O-N 3.17Å; S334-Q337 WeakPolarHBondContact O-CB 3.33Å; S334-Q337 PolarHBondContact O-N 2.87Å; S334-Q337 WeakPolarHBondContact OG-CG 3.06Å; S334-Q337 PolarHBondContact OG-N 2.91Å; S334-K338 PolarHBondContact O-N 3.1Å | ||
| 335 | T | 96.9 | Very high | 97.6 | Very high | 42 Ų | 42 | 28 Ų | 28 | 26% | 0.258 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -53.5 | -39.6 | 175.9 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | T293 K338 A339 E427 | T293-T335 HydrophobicContact CG2-CG2 3.47Å; T293-T335 VanDerWaalsContact CG2-CG2 3.47Å; T335-K338 PolarHBondContact O-N 3.11Å; T335-A339 WeakPolarHBondContact O-CB 3.21Å; T335-A339 PolarHBondContact O-N 3.38Å; T335-E427 PolarHBondContact N-OE2 3.07Å; T335-E427 PolarHBondContact OG1-OE2 3.24Å |
| 336 | A | 97.4 | Very high | 97.6 | Very high | 73 Ų | 73 | 29.1 Ų | 29.1 | 60% | 0.603 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -66.9 | -38.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S334 A339 | S334-A336 PolarHBondContact O-N 2.89Å; S334-A336 VanDerWaalsContact O-N 3.17Å; A336-A339 PolarHBondContact O-N 3.43Å |
| 337 | Q | 97.9 | Very high | 97.6 | Very high | 37 Ų | 37 | 33 Ų | 33 | 17% | 0.173 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.2 | -43.1 | 174.5 | -71.4 | 175.2 | -50.1 | 0 | 0 | 111.2 | L80 I81 F333 S334 A339 V340 P349 | L80-Q337 HydrophobicContact CD1-CB 4.26Å; I81-Q337 PolarHBondContact O-NE2 2.97Å; F333-Q337 VanDerWaalsContact CA-OE1 3.29Å; F333-Q337 HydrophobicContact CB-CB 4.02Å; F333-Q337 HydrophobicContact CD1-CB 4.48Å; S334-Q337 WeakPolarHBondContact O-CB 3.33Å; S334-Q337 PolarHBondContact O-N 2.87Å; S334-Q337 WeakPolarHBondContact OG-CG 3.06Å; S334-Q337 PolarHBondContact OG-N 2.91Å; Q337-A339 VanDerWaalsContact C-N 3.28Å; Q337-A339 PolarHBondContact O-N 3.36Å; Q337-V340 WeakPolarHBondContact O-CB 3.44Å; Q337-V340 WeakPolarHBondContact O-CG2 3.44Å; Q337-V340 PolarHBondContact O-N 3.47Å; Q337-P349 HydrophobicContact CB-CG 4.48Å; Q337-P349 WeakPolarHBondContact O-CD 2.99Å |
| 338 | K | 98.3 | Very high | 97.6 | Very high | 7 Ų | 7 | 33 Ų | 33 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.9 | -43.1 | 173.8 | -70.2 | -74.7 | -171.2 | 176.3 | 0 | 111.1 | W292 A296 V299 F333 S334 T335 V340 G341 I348 P349 G351 | W292-K338 HydrophobicContact CH2-CB 4.26Å; W292-K338 WeakPolarHBondContact CH2-O 3.31Å; A296-K338 HydrophobicContact CB-CB 4.38Å; A296-K338 WeakPolarHBondContact O-CD 3.4Å; A296-K338 PolarHBondContact O-NZ 3.07Å; V299-K338 PolarHBondContact O-NZ 3.05Å; F333-K338 HydrophobicContact CB-CD 4.37Å; F333-K338 HydrophobicContact CB-CG 4.28Å; S334-K338 PolarHBondContact O-N 3.1Å; T335-K338 PolarHBondContact O-N 3.11Å; K338-V340 PolarHBondContact O-N 3.41Å; K338-G341 PolarHBondContact O-N 2.96Å; K338-G341 VanDerWaalsContact O-N 3.09Å; K338-I348 HydrophobicContact CB-CG2 4.41Å; K338-I348 HydrophobicContact CD-CG2 3.49Å; K338-I348 VanDerWaalsContact CD-CG2 3.49Å; K338-P349 HydrophobicContact CD-CG 4.2Å; K338-P349 WeakPolarHBondContact CE-O 3.47Å; K338-P349 PolarHBondContact NZ-O 3.49Å; K338-G351 PolarHBondContact NZ-O 2.96Å |
| 339 | A | 97.9 | Very high | 97.6 | Very high | 34 Ų | 34 | 33 Ų | 33 | 28% | 0.281 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -61.9 | -9.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | W292 T335 A336 Q337 G341 K342 | W292-A339 VanDerWaalsContact CH2-CA 3.47Å; W292-A339 HydrophobicContact CH2-CB 4.32Å; W292-A339 HydrophobicContact CZ3-CB 4.16Å; T335-A339 WeakPolarHBondContact O-CB 3.21Å; T335-A339 PolarHBondContact O-N 3.38Å; A336-A339 PolarHBondContact O-N 3.43Å; Q337-A339 VanDerWaalsContact C-N 3.28Å; Q337-A339 PolarHBondContact O-N 3.36Å; A339-G341 PolarHBondContact O-N 2.89Å; A339-K342 WeakPolarHBondContact O-CB 3.39Å; A339-K342 WeakPolarHBondContact O-CG 3.45Å; A339-K342 PolarHBondContact O-N 2.88Å; A339-K342 VanDerWaalsContact O-N 3.1Å |
| 340 | V | 97.9 | Very high | 97.5 | Very high | 85 Ų | 85 | 33.4 Ų | 33.4 | 52% | 0.515 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -54.5 | -35 | 167.6 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L80 Q337 K338 | L80-V340 HydrophobicContact CD1-CG2 4.13Å; Q337-V340 WeakPolarHBondContact O-CB 3.44Å; Q337-V340 WeakPolarHBondContact O-CG2 3.44Å; Q337-V340 PolarHBondContact O-N 3.47Å; K338-V340 PolarHBondContact O-N 3.41Å |
| 341 | G | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -97.8 | 24.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K338 A339 D343 D344 | K338-G341 PolarHBondContact O-N 2.96Å; K338-G341 VanDerWaalsContact O-N 3.09Å; A339-G341 PolarHBondContact O-N 2.89Å; G341-D343 PolarHBondContact O-N 3Å; G341-D344 CarbonylContact C-O 3.59Å; G341-D344 WeakPolarHBondContact CA-O 3.25Å; G341-D344 CarbonylContact O-C 3.21Å; G341-D344 PolarHBondContact O-N 3.37Å; G341-D344 VanDerWaalsContact O-N 3.16Å |
| 342 | K | 97.9 | Very high | 97.4 | Very high | 111 Ų | 111 | 33.5 Ų | 33.5 | 48% | 0.483 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -29.3 | -178.2 | 70.6 | -178.4 | -172.4 | 66.1 | 0 | 114.7 | W292 A339 | W292-K342 HydrophobicContact CH2-CB 4.41Å; W292-K342 VanDerWaalsContact CZ2-CA 3.44Å; W292-K342 HydrophobicContact CZ2-CB 4.06Å; A339-K342 WeakPolarHBondContact O-CB 3.39Å; A339-K342 WeakPolarHBondContact O-CG 3.45Å; A339-K342 PolarHBondContact O-N 2.88Å; A339-K342 VanDerWaalsContact O-N 3.1Å |
| 343 | D | 98.1 | Very high | 97.4 | Very high | 110 Ų | 110 | 33.6 Ų | 33.6 | 59% | 0.588 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 0.9 | 179.7 | -52 | -48.6 | 0 | 0 | 0 | 112.3 | T215 G341 | T215-D343 VanDerWaalsContact CB-O 3.26Å; T215-D343 WeakPolarHBondContact CB-O 3.41Å; T215-D343 WeakPolarHBondContact CG2-O 3.2Å; G341-D343 PolarHBondContact O-N 3Å |
| 344 | D | 98.4 | Very high | 97.4 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 23% | 0.225 | 19% | 0.194 | C | C | . | . | trans | -159 | 105.4 | -179 | -175.7 | -20.8 | 0 | 0 | 0 | 109.4 | G341 T346 L347 | G341-D344 CarbonylContact C-O 3.59Å; G341-D344 WeakPolarHBondContact CA-O 3.25Å; G341-D344 CarbonylContact O-C 3.21Å; G341-D344 PolarHBondContact O-N 3.37Å; G341-D344 VanDerWaalsContact O-N 3.16Å; D344-T346 VanDerWaalsContact CG-OG1 3.28Å; D344-T346 PolarHBondContact O-N 3.23Å; D344-T346 VanDerWaalsContact O-N 3.11Å; D344-T346 VanDerWaalsContact OD1-CB 3.31Å; D344-T346 WeakPolarHBondContact OD1-CB 3.4Å; D344-T346 WeakPolarHBondContact OD1-CG2 3.46Å; D344-T346 PolarHBondContact OD1-N 3.02Å; D344-T346 PolarHBondContact OD1-OG1 3.49Å; D344-T346 PolarHBondContact OD2-OG1 2.95Å; D344-L347 HydrophobicContact CB-CD1 4.07Å; D344-L347 HydrophobicContact CB-CG 4.14Å; D344-L347 PolarHBondContact O-N 3.35Å | ||
| 345 | F | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -58.7 | -25.8 | -177.8 | 71.2 | -95.6 | 0 | 0 | 0 | 113.4 | Q206 L209 L210 I214 T215 G216 G219 H220 S223 L347 I348 | Q206-F345 HydrophobicContact CB-CZ 4.42Å; Q206-F345 HydrophobicContact CG-CE2 3.96Å; Q206-F345 HydrophobicContact CG-CZ 4.2Å; L209-F345 HydrophobicContact CB-CE1 4.2Å; L209-F345 HydrophobicContact CB-CZ 4.28Å; L209-F345 HydrophobicContact CD1-CZ 4.33Å; L210-F345 HydrophobicContact CD2-CD1 4.07Å; L210-F345 HydrophobicContact CD2-CE1 3.83Å; L210-F345 HydrophobicContact CG-CE1 4.02Å; I214-F345 WeakPolarHBondContact O-CE1 3.09Å; T215-F345 PolarHBondContact O-N 3.32Å; G216-F345 VanDerWaalsContact O-CB 3.28Å; G216-F345 WeakPolarHBondContact O-CB 3.21Å; G219-F345 VanDerWaalsContact C-CE2 3.41Å; G219-F345 WeakPolarHBondContact O-CE2 3.41Å; G219-F345 WeakPolarHBondContact O-CZ 3.47Å; H220-F345 VanDerWaalsContact CA-CD2 3.46Å; H220-F345 HydrophobicContact CB-CD2 3.79Å; H220-F345 HydrophobicContact CB-CE2 4.43Å; H220-F345 HydrophobicContact CB-CG 4.47Å; H220-F345 VanDerWaalsContact N-CD2 3.32Å; S223-F345 WeakPolarHBondContact OG-CE2 3.14Å; F345-L347 PolarHBondContact O-N 3.09Å; F345-I348 HydrophobicContact CB-CD1 4.15Å; F345-I348 WeakPolarHBondContact O-CB 3.41Å; F345-I348 PolarHBondContact O-N 3.38Å; F345-I348 VanDerWaalsContact O-N 3.16Å |
| 346 | T | 97.9 | Very high | 97.5 | Very high | 25 Ų | 25 | 31.1 Ų | 31.1 | 15% | 0.153 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -70.1 | -11.9 | 178.6 | 74.3 | 0 | 0 | 0 | 0 | 112.3 | K78 Q206 L210 D344 | K78-T346 WeakPolarHBondContact CE-O 3.34Å; K78-T346 PolarHBondContact NZ-O 2.79Å; Q206-T346 HydrophobicContact CB-CG2 3.98Å; Q206-T346 HydrophobicContact CG-CG2 4.02Å; L210-T346 HydrophobicContact CD1-CG2 3.85Å; D344-T346 VanDerWaalsContact CG-OG1 3.28Å; D344-T346 PolarHBondContact O-N 3.23Å; D344-T346 VanDerWaalsContact O-N 3.11Å; D344-T346 VanDerWaalsContact OD1-CB 3.31Å; D344-T346 WeakPolarHBondContact OD1-CB 3.4Å; D344-T346 WeakPolarHBondContact OD1-CG2 3.46Å; D344-T346 PolarHBondContact OD1-N 3.02Å; D344-T346 PolarHBondContact OD1-OG1 3.49Å; D344-T346 PolarHBondContact OD2-OG1 2.95Å |
| 347 | L | 97.9 | Very high | 97.5 | Very high | 82 Ų | 82 | 27.9 Ų | 27.9 | 43% | 0.429 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -99.1 | -4.6 | 176.2 | -59.5 | -178.7 | 0 | 0 | 0 | 113.1 | D344 F345 P349 | D344-L347 HydrophobicContact CB-CD1 4.07Å; D344-L347 HydrophobicContact CB-CG 4.14Å; D344-L347 PolarHBondContact O-N 3.35Å; F345-L347 PolarHBondContact O-N 3.09Å; L347-P349 WeakPolarHBondContact O-CD 3.43Å |
| 348 | I | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -69.4 | 124.9 | 174.8 | -57.6 | 174.2 | 0 | 0 | 0 | 108.2 | K78 P217 W292 A296 V299 K338 F345 E350 | K78-I348 WeakPolarHBondContact CE-O 3.44Å; P217-I348 HydrophobicContact CG-CD1 4.09Å; W292-I348 HydrophobicContact CZ2-CD1 3.81Å; W292-I348 HydrophobicContact CZ2-CG1 4.17Å; A296-I348 HydrophobicContact CB-CD1 4.35Å; V299-I348 HydrophobicContact CB-CG2 3.86Å; V299-I348 HydrophobicContact CG1-CB 4.12Å; V299-I348 HydrophobicContact CG1-CG2 3.82Å; V299-I348 HydrophobicContact CG2-CD1 4.12Å; V299-I348 HydrophobicContact CG2-CG2 4.12Å; K338-I348 HydrophobicContact CB-CG2 4.41Å; K338-I348 HydrophobicContact CD-CG2 3.49Å; K338-I348 VanDerWaalsContact CD-CG2 3.49Å; F345-I348 HydrophobicContact CB-CD1 4.15Å; F345-I348 WeakPolarHBondContact O-CB 3.41Å; F345-I348 PolarHBondContact O-N 3.38Å; F345-I348 VanDerWaalsContact O-N 3.16Å; I348-E350 PolarHBondContact O-N 3.47Å |
| 349 | P | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 129.5 | 173.1 | 25.7 | -34.8 | 0 | 0 | 0 | 110.6 | Q77 L80 F333 Q337 K338 L347 | Q77-P349 HydrophobicContact CB-CB 4.05Å; L80-P349 HydrophobicContact CD1-CB 4.15Å; L80-P349 HydrophobicContact CD1-CG 3.84Å; F333-P349 HydrophobicContact CB-CB 4.4Å; F333-P349 HydrophobicContact CB-CG 3.92Å; F333-P349 HydrophobicContact CD1-CB 3.79Å; F333-P349 HydrophobicContact CD1-CG 4.01Å; F333-P349 HydrophobicContact CD2-CB 3.89Å; F333-P349 HydrophobicContact CD2-CG 4.31Å; F333-P349 HydrophobicContact CE1-CB 4.03Å; F333-P349 HydrophobicContact CE2-CB 4.14Å; F333-P349 HydrophobicContact CG-CB 3.73Å; F333-P349 HydrophobicContact CG-CG 3.8Å; F333-P349 HydrophobicContact CZ-CB 4.22Å; Q337-P349 HydrophobicContact CB-CG 4.48Å; Q337-P349 WeakPolarHBondContact O-CD 2.99Å; K338-P349 HydrophobicContact CD-CG 4.2Å; K338-P349 WeakPolarHBondContact CE-O 3.47Å; K338-P349 PolarHBondContact NZ-O 3.49Å; L347-P349 WeakPolarHBondContact O-CD 3.43Å |
| 350 | E | 96.9 | Very high | 97.6 | Very high | 14 Ų | 14 | 24.3 Ų | 24.3 | 7% | 0.065 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 128.6 | -176.6 | -68.3 | 157.8 | -144.6 | 0 | 0 | 111 | K78 Y167 V299 S301 F333 I348 | K78-E350 IonicContact NZ-OE1 3.94Å; Y167-E350 VanDerWaalsContact CE1-OE2 3.3Å; Y167-E350 WeakPolarHBondContact CE1-OE2 3.42Å; Y167-E350 PolarHBondContact OH-OE2 2.81Å; V299-E350 HydrophobicContact CG1-CG 4.3Å; S301-E350 WeakPolarHBondContact CB-OE2 3.41Å; F333-E350 VanDerWaalsContact CE2-O 3.3Å; F333-E350 WeakPolarHBondContact CE2-O 3.27Å; I348-E350 PolarHBondContact O-N 3.47Å |
| 351 | G | 95.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 6% | 0.062 | 10% | 0.104 | C | C | . | . | trans | 151 | 153.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V299 A331 K338 | V299-G351 PolarHBondContact O-N 2.85Å; A331-G351 CarbonylContact O-C 3.5Å; A331-G351 WeakPolarHBondContact O-CA 3.34Å; K338-G351 PolarHBondContact NZ-O 2.96Å | ||
| 352 | T | 95.5 | Very high | 97.7 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 3% | 0.025 | 11% | 0.105 | C | C | . | . | B | Isolated β-bridge | trans | -138.9 | 176.7 | 176.9 | 71.5 | 0 | 0 | 0 | 0 | 111.8 | A297 M300 A331 I430 | A297-T352 WeakPolarHBondContact O-CG2 3.25Å; M300-T352 HydrophobicContact CB-CG2 4.21Å; M300-T352 HydrophobicContact CE-CG2 3.4Å; M300-T352 VanDerWaalsContact CE-CG2 3.4Å; M300-T352 WeakPolarHBondContact CE-OG1 3.49Å; M300-T352 HydrophobicContact CG-CG2 4.3Å; A331-T352 CarbonylContact C-O 3.53Å; A331-T352 PolarHBondContact N-O 2.82Å; A331-T352 PolarHBondContact O-N 2.98Å; T352-I430 HydrophobicContact CG2-CD1 4.27Å; T352-I430 HydrophobicContact CG2-CG2 4.11Å |
| 353 | S | 94.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | trans | -84.9 | 160 | 167.1 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | Q330 N429 | Q330-S353 VanDerWaalsContact OE1-CA 3.29Å; S353-N429 PolarHBondContact OG-OD1 2.89Å | ||
| 354 | G | 95.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.059 | C | C | . | . | trans | 168.5 | 5.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T277 S328 E357 R358 | T277-G354 PolarHBondContact OG1-O 2.74Å; T277-G354 VanDerWaalsContact OG1-O 3.06Å; S328-G354 VanDerWaalsContact CB-C 3.44Å; S328-G354 WeakPolarHBondContact CB-O 3.24Å; G354-E357 WeakPolarHBondContact CA-OE2 3.36Å; G354-R358 WeakPolarHBondContact O-CB 3.45Å; G354-R358 PolarHBondContact O-N 3.14Å | ||
| 355 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -34.8 | -176.4 | -160.3 | 165 | 0 | 0 | 0 | 113.4 | T71 A92 A93 I101 S328 Q330 L424 | T71-I355 HydrophobicContact CG2-CD1 3.82Å; A92-I355 HydrophobicContact CB-CG2 3.76Å; A93-I355 HydrophobicContact CB-CD1 3.8Å; A93-I355 HydrophobicContact CB-CG1 3.75Å; I101-I355 HydrophobicContact CG2-CD1 4.23Å; S328-I355 VanDerWaalsContact CB-CA 3.49Å; Q330-I355 HydrophobicContact CB-CB 3.91Å; Q330-I355 HydrophobicContact CB-CD1 4.21Å; Q330-I355 HydrophobicContact CG-CB 3.96Å; Q330-I355 HydrophobicContact CG-CD1 4.29Å; Q330-I355 HydrophobicContact CG-CG2 4.02Å; I355-L424 HydrophobicContact CG2-CD2 4.09Å |
| 356 | E | 98.2 | Very high | 97.8 | Very high | 20 Ų | 20 | 12.2 Ų | 12.2 | 9% | 0.093 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -37.1 | -177.8 | -175.2 | 163.3 | -172.8 | 0 | 0 | 111.2 | A92 S95 G96 N423 | A92-E356 HydrophobicContact CB-CB 4.26Å; S95-E356 VanDerWaalsContact CB-OE1 3.29Å; S95-E356 WeakPolarHBondContact CB-OE1 3.23Å; S95-E356 PolarHBondContact OG-OE1 2.89Å; G96-E356 WeakPolarHBondContact CA-O 3.42Å; E356-N423 PolarHBondContact OE1-ND2 2.88Å; E356-N423 PolarHBondContact OE2-N 2.89Å |
| 357 | E | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 12.1 Ų | 12.1 | 2% | 0.019 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -11.7 | -173.8 | -57.5 | 80.4 | -178.6 | 0 | 0 | 113.5 | G354 L359 S360 V361 V417 N429 L431 | G354-E357 WeakPolarHBondContact CA-OE2 3.36Å; E357-L359 PolarHBondContact O-N 3.05Å; E357-S360 PolarHBondContact O-N 3.4Å; E357-S360 VanDerWaalsContact O-N 3.12Å; E357-V361 HydrophobicContact CB-CG2 4.09Å; E357-V361 WeakPolarHBondContact O-CG2 3.49Å; E357-V361 PolarHBondContact O-N 3.46Å; E357-V417 HydrophobicContact CG-CG1 4.18Å; E357-V417 HydrophobicContact CG-CG2 3.84Å; E357-N429 PolarHBondContact OE1-ND2 2.95Å; E357-L431 HydrophobicContact CB-CD1 4.08Å; E357-L431 HydrophobicContact CG-CD1 4.35Å |
| 358 | R | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -48 | -51.7 | -169.2 | -175 | 176.1 | 67 | 97.8 | 4.6 | 113.7 | V67 D68 T98 T277 T326 G354 I362 T381 | V67-R358 PolarHBondContact O-NH1 2.99Å; D68-R358 IonicContact OD2-NE 3.47Å; T98-R358 PolarHBondContact OG1-NH2 3.17Å; T277-R358 WeakPolarHBondContact OG1-CB 3.48Å; T277-R358 WeakPolarHBondContact OG1-CG 3.48Å; T326-R358 PolarHBondContact O-NH1 3.27Å; G354-R358 WeakPolarHBondContact O-CB 3.45Å; G354-R358 PolarHBondContact O-N 3.14Å; R358-I362 HydrophobicContact CG-CD1 3.87Å; R358-I362 VanDerWaalsContact O-CD1 3.29Å; R358-I362 WeakPolarHBondContact O-CD1 3.24Å; R358-I362 VanDerWaalsContact O-CG1 3.23Å; R358-I362 WeakPolarHBondContact O-CG1 3.4Å; R358-I362 PolarHBondContact O-N 3.29Å; R358-I362 VanDerWaalsContact O-N 3.16Å; R358-T381 PolarHBondContact NH1-O 2.75Å; R358-T381 VanDerWaalsContact NH1-O 3.13Å |
| 359 | L | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -68.3 | -43.6 | -175.9 | -82.7 | 65.4 | 0 | 0 | 0 | 111.1 | G97 T98 E357 I362 W363 F377 W409 | G97-L359 WeakPolarHBondContact O-CD2 3.19Å; T98-L359 VanDerWaalsContact OG1-CD1 3.27Å; T98-L359 WeakPolarHBondContact OG1-CD1 3.48Å; E357-L359 PolarHBondContact O-N 3.05Å; L359-I362 PolarHBondContact O-N 2.9Å; L359-W363 WeakPolarHBondContact O-CB 3.48Å; L359-W363 PolarHBondContact O-N 3.12Å; L359-F377 HydrophobicContact CB-CZ 4.18Å; L359-F377 HydrophobicContact CG-CZ 4.27Å; L359-F377 WeakPolarHBondContact O-CE2 3.34Å; L359-W409 HydrophobicContact CB-CH2 3.68Å; L359-W409 HydrophobicContact CB-CZ3 3.8Å; L359-W409 HydrophobicContact CD2-CZ3 4.18Å |
| 360 | S | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 179.5 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | E357 I362 W363 D364 G438 | E357-S360 PolarHBondContact O-N 3.4Å; E357-S360 VanDerWaalsContact O-N 3.12Å; S360-I362 PolarHBondContact O-N 3.28Å; S360-W363 PolarHBondContact O-N 2.82Å; S360-D364 WeakPolarHBondContact O-CB 3.39Å; S360-D364 PolarHBondContact O-N 3.11Å; S360-G438 VanDerWaalsContact CB-O 3.28Å; S360-G438 WeakPolarHBondContact CB-O 3.45Å; S360-G438 PolarHBondContact OG-O 3.02Å |
| 361 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.9 | -52.1 | 173.2 | 165.9 | 0 | 0 | 0 | 0 | 110.4 | T277 L280 A281 E357 W363 D364 R365 L431 F436 | T277-V361 HydrophobicContact CG2-CB 4.16Å; T277-V361 HydrophobicContact CG2-CG1 4.32Å; T277-V361 HydrophobicContact CG2-CG2 3.83Å; L280-V361 HydrophobicContact CB-CG1 4.19Å; A281-V361 HydrophobicContact CB-CG1 3.78Å; A281-V361 HydrophobicContact CB-CG2 4.06Å; E357-V361 HydrophobicContact CB-CG2 4.09Å; E357-V361 WeakPolarHBondContact O-CG2 3.49Å; E357-V361 PolarHBondContact O-N 3.46Å; V361-W363 PolarHBondContact O-N 3.38Å; V361-D364 PolarHBondContact O-N 3.3Å; V361-R365 HydrophobicContact CG1-CG 4.32Å; V361-R365 VanDerWaalsContact O-CB 3.24Å; V361-R365 WeakPolarHBondContact O-CB 3.35Å; V361-R365 WeakPolarHBondContact O-CG 3.37Å; V361-R365 PolarHBondContact O-N 3.17Å; V361-L431 HydrophobicContact CG2-CD1 3.85Å; V361-F436 HydrophobicContact CG2-CD1 4.4Å; V361-F436 HydrophobicContact CG2-CD2 3.95Å; V361-F436 HydrophobicContact CG2-CE1 4.06Å; V361-F436 HydrophobicContact CG2-CE2 3.57Å; V361-F436 HydrophobicContact CG2-CG 4.35Å; V361-F436 HydrophobicContact CG2-CZ 3.63Å |
| 362 | I | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.9 | -40.8 | -176.6 | -61.6 | 160.4 | 0 | 0 | 0 | 110.3 | L280 T326 R358 L359 S360 A366 F377 V380 T381 | L280-I362 HydrophobicContact CD1-CG1 4.11Å; T326-I362 HydrophobicContact CG2-CD1 3.79Å; T326-I362 HydrophobicContact CG2-CG1 4.4Å; T326-I362 WeakPolarHBondContact OG1-CD1 3.3Å; R358-I362 HydrophobicContact CG-CD1 3.87Å; R358-I362 VanDerWaalsContact O-CD1 3.29Å; R358-I362 WeakPolarHBondContact O-CD1 3.24Å; R358-I362 VanDerWaalsContact O-CG1 3.23Å; R358-I362 WeakPolarHBondContact O-CG1 3.4Å; R358-I362 PolarHBondContact O-N 3.29Å; R358-I362 VanDerWaalsContact O-N 3.16Å; L359-I362 PolarHBondContact O-N 2.9Å; S360-I362 PolarHBondContact O-N 3.28Å; I362-A366 WeakPolarHBondContact O-CB 3.37Å; I362-A366 PolarHBondContact O-N 2.76Å; I362-F377 HydrophobicContact CB-CD2 4.37Å; I362-F377 HydrophobicContact CB-CE2 4.09Å; I362-F377 HydrophobicContact CG2-CD2 3.82Å; I362-F377 HydrophobicContact CG2-CE2 4.05Å; I362-V380 HydrophobicContact CG2-CG2 4.21Å; I362-T381 HydrophobicContact CB-CG2 4.46Å; I362-T381 HydrophobicContact CD1-CG2 3.73Å; I362-T381 HydrophobicContact CG2-CG2 4.23Å |
| 363 | W | 98.9 | Very high | 98 | Very high | 11 Ų | 11 | 22.3 Ų | 22.3 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -61.2 | -49 | 177.3 | -175.5 | -84.3 | 0 | 0 | 0 | 112.1 | L61 L359 S360 V361 V367 S368 E374 F377 W409 P411 | L61-W363 HydrophobicContact CD1-CH2 3.35Å; L61-W363 HydrophobicContact CD1-CZ2 4.24Å; L61-W363 HydrophobicContact CD1-CZ3 3.81Å; L359-W363 WeakPolarHBondContact O-CB 3.48Å; L359-W363 PolarHBondContact O-N 3.12Å; S360-W363 PolarHBondContact O-N 2.82Å; V361-W363 PolarHBondContact O-N 3.38Å; W363-V367 HydrophobicContact CD2-CB 4.08Å; W363-V367 HydrophobicContact CD2-CG1 4.29Å; W363-V367 HydrophobicContact CD2-CG2 4.28Å; W363-V367 HydrophobicContact CE3-CB 4.21Å; W363-V367 HydrophobicContact CE3-CG1 4.31Å; W363-V367 HydrophobicContact CE3-CG2 3.97Å; W363-V367 HydrophobicContact CG-CB 4.46Å; W363-V367 HydrophobicContact CH2-CG1 3.79Å; W363-V367 HydrophobicContact CZ2-CB 4.46Å; W363-V367 HydrophobicContact CZ2-CG1 3.79Å; W363-V367 HydrophobicContact CZ3-CB 4.46Å; W363-V367 HydrophobicContact CZ3-CG1 4.08Å; W363-V367 HydrophobicContact CZ3-CG2 4.25Å; W363-V367 WeakPolarHBondContact O-CA 3.47Å; W363-V367 WeakPolarHBondContact O-CB 3.44Å; W363-V367 PolarHBondContact O-N 3.38Å; W363-S368 PolarHBondContact NE1-OG 2.88Å; W363-S368 PolarHBondContact O-N 3.15Å; W363-S368 PolarHBondContact O-OG 3.12Å; W363-S368 VanDerWaalsContact O-OG 3.12Å; W363-E374 HydrophobicContact CH2-CB 4.13Å; W363-E374 HydrophobicContact CZ3-CB 4.26Å; W363-F377 HydrophobicContact CB-CD2 4.49Å; W363-F377 HydrophobicContact CB-CE2 3.94Å; W363-F377 HydrophobicContact CB-CZ 4.36Å; W363-F377 AromaticContact CE3-CD1 3.73Å; W363-F377 HydrophobicContact CE3-CD1 3.73Å; W363-F377 HydrophobicContact CE3-CD2 4.04Å; W363-F377 AromaticContact CE3-CE1 3.77Å; W363-F377 HydrophobicContact CE3-CE1 3.77Å; W363-F377 HydrophobicContact CE3-CE2 4.08Å; W363-F377 AromaticContact CE3-CG 3.86Å; W363-F377 HydrophobicContact CE3-CG 3.86Å; W363-F377 AromaticContact CE3-CZ 3.95Å; W363-F377 HydrophobicContact CE3-CZ 3.95Å; W363-F377 AromaticContact CZ3-CD1 3.87Å; W363-F377 HydrophobicContact CZ3-CD1 3.87Å; W363-F377 HydrophobicContact CZ3-CE1 4.2Å; W363-F377 HydrophobicContact CZ3-CG 4.18Å; W363-W409 HydrophobicContact CB-CZ2 3.66Å; W363-W409 AromaticContact CD2-CE2 3.94Å; W363-W409 HydrophobicContact CD2-CZ2 4.12Å; W363-W409 AromaticContact CD2-NE1 3.22Å; W363-W409 AromaticContact CE2-NE1 3.57Å; W363-W409 HydrophobicContact CE3-CZ2 4.4Å; W363-W409 AromaticContact CE3-NE1 3.33Å; W363-W409 VanDerWaalsContact CE3-NE1 3.33Å; W363-W409 AromaticContact CG-CZ2 3.78Å; W363-W409 HydrophobicContact CG-CZ2 3.78Å; W363-W409 AromaticContact CG-NE1 3.74Å; W363-W409 AromaticContact CZ3-NE1 3.8Å; W363-P411 HydrophobicContact CH2-CB 4.11Å; W363-P411 HydrophobicContact CZ2-CB 3.29Å; W363-P411 PolarHBondContact NE1-O 2.94Å |
| 364 | D | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 8% | 0.075 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -66 | -48.7 | -179.9 | -176.4 | 70.5 | 0 | 0 | 0 | 111.5 | S360 V361 S368 T369 F436 R437 | S360-D364 WeakPolarHBondContact O-CB 3.39Å; S360-D364 PolarHBondContact O-N 3.11Å; V361-D364 PolarHBondContact O-N 3.3Å; D364-S368 WeakPolarHBondContact O-CB 3.31Å; D364-T369 WeakPolarHBondContact O-CG2 3.35Å; D364-F436 HydrophobicContact CB-CB 4Å; D364-F436 HydrophobicContact CB-CD1 3.86Å; D364-F436 HydrophobicContact CB-CG 4.41Å; D364-R437 IonicContact OD1-CZ 2.74Å; D364-R437 PolarHBondContact OD1-N 2.58Å; D364-R437 IonicContact OD1-NE 3.58Å; D364-R437 PolarHBondContact OD1-NE 3.36Å; D364-R437 IonicContact OD1-NH2 3.63Å; D364-R437 PolarHBondContact OD1-NH2 3.47Å; D364-R437 VanDerWaalsContact OD1-NH2 3.16Å |
| 365 | R | 98.1 | Very high | 98.3 | Very high | 67 Ų | 67 | 25.4 Ų | 25.4 | 25% | 0.253 | 15% | 0.147 | S | C | . | . | I | π-helix | trans | -72.2 | -35.5 | -173.5 | -64.1 | -59.6 | -163.7 | -149.7 | 6.2 | 113.4 | A281 T315 V361 T369 | A281-R365 PolarHBondContact O-NH2 2.92Å; T315-R365 HydrophobicContact CG2-CB 4.33Å; V361-R365 HydrophobicContact CG1-CG 4.32Å; V361-R365 VanDerWaalsContact O-CB 3.24Å; V361-R365 WeakPolarHBondContact O-CB 3.35Å; V361-R365 WeakPolarHBondContact O-CG 3.37Å; V361-R365 PolarHBondContact O-N 3.17Å; R365-T369 WeakPolarHBondContact O-CG2 3.29Å; R365-T369 PolarHBondContact O-OG1 3Å |
| 366 | A | 97.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -105.4 | -51.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113 | T315 I362 T369 G370 K371 M372 | T315-A366 HydrophobicContact CG2-CB 3.65Å; I362-A366 WeakPolarHBondContact O-CB 3.37Å; I362-A366 PolarHBondContact O-N 2.76Å; A366-T369 PolarHBondContact O-OG1 2.73Å; A366-G370 PolarHBondContact O-N 3.17Å; A366-K371 WeakPolarHBondContact O-CB 3.18Å; A366-K371 PolarHBondContact O-N 3.13Å; A366-M372 HydrophobicContact CB-CB 3.81Å; A366-M372 HydrophobicContact CB-CE 4.1Å; A366-M372 HydrophobicContact CB-SD 4.15Å; A366-M372 PolarHBondContact O-N 3.41Å; A366-M372 VanDerWaalsContact O-N 3.08Å |
| 367 | V | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 28.2 Ų | 28.2 | 15% | 0.145 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -78.7 | -50.6 | -173.5 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | W363 T369 G370 M372 F377 | W363-V367 HydrophobicContact CD2-CB 4.08Å; W363-V367 HydrophobicContact CD2-CG1 4.29Å; W363-V367 HydrophobicContact CD2-CG2 4.28Å; W363-V367 HydrophobicContact CE3-CB 4.21Å; W363-V367 HydrophobicContact CE3-CG1 4.31Å; W363-V367 HydrophobicContact CE3-CG2 3.97Å; W363-V367 HydrophobicContact CG-CB 4.46Å; W363-V367 HydrophobicContact CH2-CG1 3.79Å; W363-V367 HydrophobicContact CZ2-CB 4.46Å; W363-V367 HydrophobicContact CZ2-CG1 3.79Å; W363-V367 HydrophobicContact CZ3-CB 4.46Å; W363-V367 HydrophobicContact CZ3-CG1 4.08Å; W363-V367 HydrophobicContact CZ3-CG2 4.25Å; W363-V367 WeakPolarHBondContact O-CA 3.47Å; W363-V367 WeakPolarHBondContact O-CB 3.44Å; W363-V367 PolarHBondContact O-N 3.38Å; V367-T369 PolarHBondContact O-N 2.79Å; V367-G370 PolarHBondContact O-N 3.28Å; V367-M372 WeakPolarHBondContact CA-O 3.42Å; V367-F377 HydrophobicContact CG2-CB 3.63Å; V367-F377 HydrophobicContact CG2-CD2 4.06Å; V367-F377 HydrophobicContact CG2-CG 4.06Å |
| 368 | S | 97.8 | Very high | 98.4 | Very high | 32 Ų | 32 | 28 Ų | 28 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -12.4 | -174.3 | -52.5 | 0 | 0 | 0 | 0 | 113.5 | W363 D364 R437 | W363-S368 PolarHBondContact NE1-OG 2.88Å; W363-S368 PolarHBondContact O-N 3.15Å; W363-S368 PolarHBondContact O-OG 3.12Å; W363-S368 VanDerWaalsContact O-OG 3.12Å; D364-S368 WeakPolarHBondContact O-CB 3.31Å; S368-R437 PolarHBondContact O-NH1 2.88Å; S368-R437 PolarHBondContact O-NH2 3.28Å |
| 369 | T | 96.9 | Very high | 98.4 | Very high | 73 Ų | 73 | 28.7 Ų | 28.7 | 45% | 0.448 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -6 | 170.1 | 64.3 | 0 | 0 | 0 | 0 | 113.2 | D364 R365 A366 V367 | D364-T369 WeakPolarHBondContact O-CG2 3.35Å; R365-T369 WeakPolarHBondContact O-CG2 3.29Å; R365-T369 PolarHBondContact O-OG1 3Å; A366-T369 PolarHBondContact O-OG1 2.73Å; V367-T369 PolarHBondContact O-N 2.79Å |
| 370 | G | 97.5 | Very high | 98.4 | Very high | 66 Ų | 66 | 29 Ų | 29 | 68% | 0.68 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 18.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A366 V367 | A366-G370 PolarHBondContact O-N 3.17Å; V367-G370 PolarHBondContact O-N 3.28Å |
| 371 | K | 97.8 | Very high | 98.4 | Very high | 65 Ų | 65 | 29 Ų | 29 | 28% | 0.283 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -75.9 | -32.1 | 172 | -70.4 | 179.8 | 178 | -67.8 | 0 | 112.7 | T315 S316 A319 A366 | T315-K371 HydrophobicContact CG2-CD 3.69Å; S316-K371 PolarHBondContact OG-NZ 2.88Å; A319-K371 HydrophobicContact CB-CB 4.11Å; A319-K371 WeakPolarHBondContact CB-O 3.37Å; A366-K371 WeakPolarHBondContact O-CB 3.18Å; A366-K371 PolarHBondContact O-N 3.13Å |
| 372 | M | 97.6 | Very high | 98.4 | Very high | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.039 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -136.7 | 146.8 | -170.6 | -173.5 | -175.4 | -71.5 | 0 | 0 | 108.7 | L318 A319 A366 V367 E376 F377 V380 | L318-M372 HydrophobicContact CD2-CE 4.13Å; L318-M372 HydrophobicContact CG-CE 3.98Å; A319-M372 HydrophobicContact CB-CB 4.26Å; A319-M372 HydrophobicContact CB-CE 4.15Å; A366-M372 HydrophobicContact CB-CB 3.81Å; A366-M372 HydrophobicContact CB-CE 4.1Å; A366-M372 HydrophobicContact CB-SD 4.15Å; A366-M372 PolarHBondContact O-N 3.41Å; A366-M372 VanDerWaalsContact O-N 3.08Å; V367-M372 WeakPolarHBondContact CA-O 3.42Å; M372-E376 VanDerWaalsContact CA-OE2 3.26Å; M372-E376 WeakPolarHBondContact CA-OE2 3.2Å; M372-E376 HydrophobicContact CG-CB 3.23Å; M372-E376 HydrophobicContact CG-CG 4.3Å; M372-E376 WeakPolarHBondContact CG-OE2 3.45Å; M372-E376 VanDerWaalsContact SD-C 3.53Å; M372-E376 HydrophobicContact SD-CB 3.91Å; M372-F377 VanDerWaalsContact SD-CA 3.53Å; M372-F377 HydrophobicContact SD-CB 4.12Å; M372-F377 PolarHBondContact SD-N 3.45Å; M372-V380 HydrophobicContact CE-CG1 4.17Å; M372-V380 HydrophobicContact CE-CG2 3.93Å; M372-V380 HydrophobicContact SD-CG2 3.95Å |
| 373 | D | 98.6 | Very high | 98.4 | Very high | 77 Ų | 77 | 28.9 Ų | 28.9 | 41% | 0.412 | 17% | 0.166 | S | C | . | . | trans | -88 | 174.9 | 168.2 | 73.2 | 27.3 | 0 | 0 | 0 | 112.6 | N375 E376 F377 | D373-N375 VanDerWaalsContact C-N 3.25Å; D373-N375 PolarHBondContact O-N 2.89Å; D373-N375 WeakPolarHBondContact OD1-CA 3.41Å; D373-N375 WeakPolarHBondContact OD1-CB 3.45Å; D373-N375 PolarHBondContact OD1-N 2.72Å; D373-E376 PolarHBondContact N-OE2 3.27Å; D373-E376 WeakPolarHBondContact OD1-CG 3.14Å; D373-E376 PolarHBondContact OD1-N 3.3Å; D373-F377 PolarHBondContact O-N 3.02Å | ||
| 374 | E | 98.7 | Very high | 98.4 | Very high | 42 Ų | 42 | 30.3 Ų | 30.3 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.5 | -25.6 | 178.3 | 61.7 | -162.5 | -151.5 | 0 | 0 | 113.8 | K20 V22 S27 L61 W363 F377 V378 | K20-E374 WeakPolarHBondContact CE-OE1 3.3Å; K20-E374 IonicContact NZ-OE1 2.79Å; K20-E374 PolarHBondContact NZ-OE1 3.27Å; K20-E374 IonicContact NZ-OE2 3.79Å; K20-E374 PolarHBondContact NZ-OE2 3.31Å; V22-E374 HydrophobicContact CG1-CB 4.05Å; V22-E374 HydrophobicContact CG1-CG 3.85Å; V22-E374 WeakPolarHBondContact CG1-O 3.41Å; V22-E374 HydrophobicContact CG2-CG 4.43Å; S27-E374 VanDerWaalsContact CB-OE1 3.26Å; S27-E374 WeakPolarHBondContact CB-OE1 3.39Å; S27-E374 PolarHBondContact OG-OE1 2.91Å; L61-E374 HydrophobicContact CD1-CB 4.47Å; W363-E374 HydrophobicContact CH2-CB 4.13Å; W363-E374 HydrophobicContact CZ3-CB 4.26Å; E374-F377 WeakPolarHBondContact O-CB 3.35Å; E374-V378 WeakPolarHBondContact O-CG2 3.43Å; E374-V378 PolarHBondContact O-N 3.22Å |
| 375 | N | 98.9 | Very high | 98.4 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 13% | 0.134 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -78.8 | -44.5 | -179.8 | -58.3 | 98.8 | 0 | 0 | 0 | 110.1 | N23 D24 Q26 S27 D373 F377 V378 A379 | N23-N375 WeakPolarHBondContact O-CA 3.4Å; N23-N375 WeakPolarHBondContact O-CB 3.1Å; N23-N375 PolarHBondContact O-ND2 2.97Å; D24-N375 WeakPolarHBondContact CA-O 3.44Å; Q26-N375 WeakPolarHBondContact CA-ND2 3.44Å; Q26-N375 PolarHBondContact O-ND2 2.87Å; S27-N375 PolarHBondContact N-ND2 3.25Å; S27-N375 PolarHBondContact OG-ND2 2.54Å; S27-N375 PolarHBondContact OG-OD1 2.79Å; D373-N375 VanDerWaalsContact C-N 3.25Å; D373-N375 PolarHBondContact O-N 2.89Å; D373-N375 WeakPolarHBondContact OD1-CA 3.41Å; D373-N375 WeakPolarHBondContact OD1-CB 3.45Å; D373-N375 PolarHBondContact OD1-N 2.72Å; N375-F377 VanDerWaalsContact C-N 3.27Å; N375-F377 PolarHBondContact O-N 3.22Å; N375-V378 WeakPolarHBondContact O-CB 3.5Å; N375-V378 PolarHBondContact O-N 2.74Å; N375-A379 PolarHBondContact O-N 3.17Å |
| 376 | E | 98.8 | Very high | 98.5 | Very high | 78 Ų | 78 | 26.4 Ų | 26.4 | 36% | 0.364 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.6 | -35.7 | 171.2 | -68.7 | 173.8 | 144 | 0 | 0 | 111.5 | M372 D373 A379 V380 | M372-E376 VanDerWaalsContact CA-OE2 3.26Å; M372-E376 WeakPolarHBondContact CA-OE2 3.2Å; M372-E376 HydrophobicContact CG-CB 3.23Å; M372-E376 HydrophobicContact CG-CG 4.3Å; M372-E376 WeakPolarHBondContact CG-OE2 3.45Å; M372-E376 VanDerWaalsContact SD-C 3.53Å; M372-E376 HydrophobicContact SD-CB 3.91Å; D373-E376 PolarHBondContact N-OE2 3.27Å; D373-E376 WeakPolarHBondContact OD1-CG 3.14Å; D373-E376 PolarHBondContact OD1-N 3.3Å; E376-A379 WeakPolarHBondContact O-CA 3.33Å; E376-A379 VanDerWaalsContact O-CB 3.31Å; E376-A379 WeakPolarHBondContact O-CB 3.4Å; E376-A379 PolarHBondContact O-N 3.06Å; E376-A379 VanDerWaalsContact O-N 3.11Å; E376-V380 PolarHBondContact O-N 3.49Å |
| 377 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 171.8 | 169.9 | -99.8 | 0 | 0 | 0 | 111.9 | I63 L359 I362 W363 V367 M372 D373 E374 N375 A379 V380 T381 W409 | I63-F377 HydrophobicContact CD1-CE1 3.78Å; L359-F377 HydrophobicContact CB-CZ 4.18Å; L359-F377 HydrophobicContact CG-CZ 4.27Å; L359-F377 WeakPolarHBondContact O-CE2 3.34Å; I362-F377 HydrophobicContact CB-CD2 4.37Å; I362-F377 HydrophobicContact CB-CE2 4.09Å; I362-F377 HydrophobicContact CG2-CD2 3.82Å; I362-F377 HydrophobicContact CG2-CE2 4.05Å; W363-F377 HydrophobicContact CB-CD2 4.49Å; W363-F377 HydrophobicContact CB-CE2 3.94Å; W363-F377 HydrophobicContact CB-CZ 4.36Å; W363-F377 AromaticContact CE3-CD1 3.73Å; W363-F377 HydrophobicContact CE3-CD1 3.73Å; W363-F377 HydrophobicContact CE3-CD2 4.04Å; W363-F377 AromaticContact CE3-CE1 3.77Å; W363-F377 HydrophobicContact CE3-CE1 3.77Å; W363-F377 HydrophobicContact CE3-CE2 4.08Å; W363-F377 AromaticContact CE3-CG 3.86Å; W363-F377 HydrophobicContact CE3-CG 3.86Å; W363-F377 AromaticContact CE3-CZ 3.95Å; W363-F377 HydrophobicContact CE3-CZ 3.95Å; W363-F377 AromaticContact CZ3-CD1 3.87Å; W363-F377 HydrophobicContact CZ3-CD1 3.87Å; W363-F377 HydrophobicContact CZ3-CE1 4.2Å; W363-F377 HydrophobicContact CZ3-CG 4.18Å; V367-F377 HydrophobicContact CG2-CB 3.63Å; V367-F377 HydrophobicContact CG2-CD2 4.06Å; V367-F377 HydrophobicContact CG2-CG 4.06Å; M372-F377 VanDerWaalsContact SD-CA 3.53Å; M372-F377 HydrophobicContact SD-CB 4.12Å; M372-F377 PolarHBondContact SD-N 3.45Å; D373-F377 PolarHBondContact O-N 3.02Å; E374-F377 WeakPolarHBondContact O-CB 3.35Å; N375-F377 VanDerWaalsContact C-N 3.27Å; N375-F377 PolarHBondContact O-N 3.22Å; F377-A379 PolarHBondContact O-N 3.38Å; F377-V380 PolarHBondContact O-N 3.3Å; F377-T381 HydrophobicContact CD2-CG2 3.92Å; F377-T381 HydrophobicContact CE2-CG2 3.66Å; F377-T381 HydrophobicContact CZ-CG2 4.05Å; F377-T381 WeakPolarHBondContact O-CB 3.15Å; F377-T381 WeakPolarHBondContact O-CG2 3.3Å; F377-T381 PolarHBondContact O-N 3.14Å; F377-T381 VanDerWaalsContact O-N 3.12Å; F377-T381 PolarHBondContact O-OG1 3.39Å; F377-W409 HydrophobicContact CZ-CZ2 4.4Å |
| 378 | V | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.7 | -39.5 | 174 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | V22 I63 P64 E374 N375 S382 T383 | V22-V378 HydrophobicContact CB-CG2 4.32Å; V22-V378 HydrophobicContact CG1-CG2 3.82Å; I63-V378 HydrophobicContact CB-CG2 4.13Å; I63-V378 HydrophobicContact CG2-CG2 4.15Å; P64-V378 HydrophobicContact CG-CG1 3.81Å; E374-V378 WeakPolarHBondContact O-CG2 3.43Å; E374-V378 PolarHBondContact O-N 3.22Å; N375-V378 WeakPolarHBondContact O-CB 3.5Å; N375-V378 PolarHBondContact O-N 2.74Å; V378-S382 PolarHBondContact O-N 3.1Å; V378-S382 VanDerWaalsContact O-N 3.1Å; V378-S382 PolarHBondContact O-OG 3.5Å; V378-T383 PolarHBondContact O-N 2.75Å; V378-T383 VanDerWaalsContact O-N 3.16Å |
| 379 | A | 98.9 | Very high | 98.5 | Very high | 14 Ų | 14 | 25.9 Ų | 25.9 | 12% | 0.116 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -59.9 | -50.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D24 N375 E376 F377 T383 N384 | D24-A379 HydrophobicContact CB-CB 3.94Å; N375-A379 PolarHBondContact O-N 3.17Å; E376-A379 WeakPolarHBondContact O-CA 3.33Å; E376-A379 VanDerWaalsContact O-CB 3.31Å; E376-A379 WeakPolarHBondContact O-CB 3.4Å; E376-A379 PolarHBondContact O-N 3.06Å; E376-A379 VanDerWaalsContact O-N 3.11Å; F377-A379 PolarHBondContact O-N 3.38Å; A379-T383 PolarHBondContact O-N 3.02Å; A379-N384 WeakPolarHBondContact O-CB 3.22Å; A379-N384 PolarHBondContact O-N 2.86Å; A379-N384 PolarHBondContact O-ND2 3.39Å |
| 380 | V | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -80.5 | -19.9 | -173.7 | -58.9 | 0 | 0 | 0 | 0 | 114.4 | L318 T326 I362 M372 E376 F377 | L318-V380 HydrophobicContact CD1-CB 3.96Å; L318-V380 HydrophobicContact CD1-CG1 3.78Å; L318-V380 HydrophobicContact CD2-CB 4.41Å; L318-V380 HydrophobicContact CD2-CG2 4.14Å; L318-V380 HydrophobicContact CG-CB 4.26Å; L318-V380 HydrophobicContact CG-CG1 4.01Å; L318-V380 HydrophobicContact CG-CG2 4.4Å; T326-V380 HydrophobicContact CG2-CB 4.47Å; T326-V380 PolarHBondContact N-O 3.41Å; T326-V380 VanDerWaalsContact N-O 3.08Å; T326-V380 PolarHBondContact OG1-O 2.92Å; I362-V380 HydrophobicContact CG2-CG2 4.21Å; M372-V380 HydrophobicContact CE-CG1 4.17Å; M372-V380 HydrophobicContact CE-CG2 3.93Å; M372-V380 HydrophobicContact SD-CG2 3.95Å; E376-V380 PolarHBondContact O-N 3.49Å; F377-V380 PolarHBondContact O-N 3.3Å |
| 381 | T | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -97.4 | -18.6 | -178.8 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | V67 R358 I362 F377 | V67-T381 PolarHBondContact N-O 2.82Å; R358-T381 PolarHBondContact NH1-O 2.75Å; R358-T381 VanDerWaalsContact NH1-O 3.13Å; I362-T381 HydrophobicContact CB-CG2 4.46Å; I362-T381 HydrophobicContact CD1-CG2 3.73Å; I362-T381 HydrophobicContact CG2-CG2 4.23Å; F377-T381 HydrophobicContact CD2-CG2 3.92Å; F377-T381 HydrophobicContact CE2-CG2 3.66Å; F377-T381 HydrophobicContact CZ-CG2 4.05Å; F377-T381 WeakPolarHBondContact O-CB 3.15Å; F377-T381 WeakPolarHBondContact O-CG2 3.3Å; F377-T381 PolarHBondContact O-N 3.14Å; F377-T381 VanDerWaalsContact O-N 3.12Å; F377-T381 PolarHBondContact O-OG1 3.39Å |
| 382 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -145.1 | -58.4 | -177.4 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | G65 V378 N384 A385 A386 | G65-S382 WeakPolarHBondContact O-CB 3.22Å; V378-S382 PolarHBondContact O-N 3.1Å; V378-S382 VanDerWaalsContact O-N 3.1Å; V378-S382 PolarHBondContact O-OG 3.5Å; S382-N384 PolarHBondContact O-N 3.1Å; S382-A385 PolarHBondContact O-N 3.4Å; S382-A386 WeakPolarHBondContact O-CB 3.25Å; S382-A386 PolarHBondContact O-N 3.08Å |
| 383 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -66.4 | -41.8 | -165.5 | -51.2 | 0 | 0 | 0 | 0 | 113 | D24 V378 A379 A386 K387 Y392 G396 | D24-T383 HydrophobicContact CB-CG2 4.11Å; V378-T383 PolarHBondContact O-N 2.75Å; V378-T383 VanDerWaalsContact O-N 3.16Å; A379-T383 PolarHBondContact O-N 3.02Å; T383-A386 PolarHBondContact O-N 2.62Å; T383-K387 HydrophobicContact CG2-CD 3.9Å; T383-K387 HydrophobicContact CG2-CG 4.27Å; T383-K387 WeakPolarHBondContact O-CB 3.49Å; T383-K387 VanDerWaalsContact O-CG 3.31Å; T383-K387 WeakPolarHBondContact O-CG 3.36Å; T383-K387 PolarHBondContact O-N 3.47Å; T383-Y392 HydrophobicContact CG2-CD2 3.7Å; T383-Y392 HydrophobicContact CG2-CE2 3.5Å; T383-Y392 VanDerWaalsContact CG2-CE2 3.5Å; T383-G396 PolarHBondContact OG1-O 3.49Å |
| 384 | N | 98.9 | Very high | 98.8 | Very high | 40 Ų | 40 | 26.3 Ų | 26.3 | 21% | 0.214 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.1 | -44 | -179.2 | -71.9 | -19.8 | 0 | 0 | 0 | 111.2 | Q324 V325 A379 S382 A386 K387 V388 | Q324-N384 VanDerWaalsContact O-CB 3.28Å; Q324-N384 WeakPolarHBondContact O-CB 3.44Å; Q324-N384 PolarHBondContact O-ND2 3.26Å; V325-N384 HydrophobicContact CG2-CB 4.01Å; A379-N384 WeakPolarHBondContact O-CB 3.22Å; A379-N384 PolarHBondContact O-N 2.86Å; A379-N384 PolarHBondContact O-ND2 3.39Å; S382-N384 PolarHBondContact O-N 3.1Å; N384-A386 PolarHBondContact O-N 3.22Å; N384-K387 PolarHBondContact O-N 3.5Å; N384-V388 WeakPolarHBondContact O-CB 3.49Å; N384-V388 VanDerWaalsContact O-CG2 3.24Å; N384-V388 WeakPolarHBondContact O-CG2 3.47Å; N384-V388 PolarHBondContact O-N 3.06Å |
| 385 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | V67 A69 V325 S382 K387 V388 F389 | V67-A385 HydrophobicContact CB-CB 4.01Å; V67-A385 HydrophobicContact CG1-CB 3.78Å; A69-A385 HydrophobicContact CB-CB 4.28Å; V325-A385 HydrophobicContact CG1-CB 3.92Å; S382-A385 PolarHBondContact O-N 3.4Å; A385-K387 VanDerWaalsContact C-N 3.32Å; A385-K387 PolarHBondContact O-N 3.34Å; A385-V388 PolarHBondContact O-N 3.25Å; A385-F389 WeakPolarHBondContact O-CB 3.08Å; A385-F389 VanDerWaalsContact O-CD2 3.28Å; A385-F389 WeakPolarHBondContact O-CD2 3.35Å; A385-F389 PolarHBondContact O-N 3.28Å |
| 386 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.1 | -37.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S382 T383 N384 N390 M391 Y392 K395 | S382-A386 WeakPolarHBondContact O-CB 3.25Å; S382-A386 PolarHBondContact O-N 3.08Å; T383-A386 PolarHBondContact O-N 2.62Å; N384-A386 PolarHBondContact O-N 3.22Å; A386-N390 CarbonylContact O-C 3.56Å; A386-N390 PolarHBondContact O-N 3.5Å; A386-N390 VanDerWaalsContact O-N 3.1Å; A386-M391 HydrophobicContact CB-CB 4.28Å; A386-M391 PolarHBondContact O-N 2.81Å; A386-Y392 PolarHBondContact O-N 2.66Å; A386-K395 HydrophobicContact CB-CB 4.21Å; A386-K395 WeakPolarHBondContact CB-O 3.27Å |
| 387 | K | 98.8 | Very high | 98.8 | Very high | 42 Ų | 42 | 21.9 Ų | 21.9 | 18% | 0.183 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.8 | -43 | 176.7 | -77 | 173.7 | -176.7 | 161.4 | 0 | 112.5 | D24 T383 N384 A385 Y392 T474 | D24-K387 IonicContact OD2-NZ 2.85Å; D24-K387 PolarHBondContact OD2-NZ 2.59Å; T383-K387 HydrophobicContact CG2-CD 3.9Å; T383-K387 HydrophobicContact CG2-CG 4.27Å; T383-K387 WeakPolarHBondContact O-CB 3.49Å; T383-K387 VanDerWaalsContact O-CG 3.31Å; T383-K387 WeakPolarHBondContact O-CG 3.36Å; T383-K387 PolarHBondContact O-N 3.47Å; N384-K387 PolarHBondContact O-N 3.5Å; A385-K387 VanDerWaalsContact C-N 3.32Å; A385-K387 PolarHBondContact O-N 3.34Å; K387-Y392 HydrophobicContact CG-CD1 3.99Å; K387-Y392 HydrophobicContact CG-CD2 4.01Å; K387-Y392 HydrophobicContact CG-CG 3.64Å; K387-T474 HydrophobicContact CB-CG2 4.12Å |
| 388 | V | 98.6 | Very high | 98.8 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.018 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.8 | -48.1 | 179.7 | 169.4 | 0 | 0 | 0 | 0 | 109.7 | I191 Y248 Y272 N384 A385 N390 P472 | I191-V388 HydrophobicContact CD1-CG1 3.59Å; I191-V388 WeakPolarHBondContact CD1-O 3.33Å; Y248-V388 HydrophobicContact CD2-CG1 4.1Å; Y248-V388 HydrophobicContact CE2-CG1 4.3Å; Y272-V388 HydrophobicContact CD1-CG2 3.91Å; Y272-V388 HydrophobicContact CE1-CG2 3.83Å; Y272-V388 HydrophobicContact CG-CG2 4.45Å; N384-V388 WeakPolarHBondContact O-CB 3.49Å; N384-V388 VanDerWaalsContact O-CG2 3.24Å; N384-V388 WeakPolarHBondContact O-CG2 3.47Å; N384-V388 PolarHBondContact O-N 3.06Å; A385-V388 PolarHBondContact O-N 3.25Å; V388-N390 VanDerWaalsContact C-N 3.34Å; V388-N390 PolarHBondContact O-N 2.84Å; V388-P472 WeakPolarHBondContact O-CB 3.47Å; V388-P472 WeakPolarHBondContact O-CG 3.05Å |
| 389 | F | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 14.9 | -176.5 | -58.8 | -63.2 | 0 | 0 | 0 | 114.1 | A69 I102 H135 N159 I191 Y248 A385 M391 R468 | A69-F389 HydrophobicContact CB-CD2 4.18Å; A69-F389 HydrophobicContact CB-CE2 3.62Å; I102-F389 HydrophobicContact CD1-CB 3.98Å; I102-F389 HydrophobicContact CD1-CD2 3.56Å; I102-F389 HydrophobicContact CD1-CE2 4.24Å; I102-F389 HydrophobicContact CD1-CG 3.81Å; H135-F389 AromaticContact CE1-CD1 3.82Å; H135-F389 AromaticContact CE1-CE1 3.43Å; H135-F389 VanDerWaalsContact CE1-CE1 3.43Å; H135-F389 WeakPolarHBondContact CE1-CE1 3.36Å; H135-F389 AromaticContact CE1-CZ 3.61Å; N159-F389 PolarHBondContact ND2-O 3.13Å; N159-F389 VanDerWaalsContact ND2-O 3.13Å; I191-F389 HydrophobicContact CD1-CD1 4.35Å; I191-F389 HydrophobicContact CD1-CE1 4.42Å; Y248-F389 AromaticContact CD2-CZ 3.94Å; Y248-F389 HydrophobicContact CD2-CZ 3.94Å; Y248-F389 AromaticContact CE2-CE2 4Å; Y248-F389 HydrophobicContact CE2-CE2 4Å; Y248-F389 AromaticContact CE2-CZ 3.68Å; Y248-F389 HydrophobicContact CE2-CZ 3.68Å; Y248-F389 HydrophobicContact CG-CZ 4.47Å; Y248-F389 AromaticContact CZ-CZ 3.97Å; A385-F389 WeakPolarHBondContact O-CB 3.08Å; A385-F389 VanDerWaalsContact O-CD2 3.28Å; A385-F389 WeakPolarHBondContact O-CD2 3.35Å; A385-F389 PolarHBondContact O-N 3.28Å; F389-M391 HydrophobicContact CB-CE 4.33Å; F389-R468 WeakPolarHBondContact O-CB 3.36Å; F389-R468 VanDerWaalsContact O-CD 3.3Å; F389-R468 WeakPolarHBondContact O-CD 3.45Å; F389-R468 WeakPolarHBondContact O-CG 3.35Å |
| 390 | N | 98.6 | Very high | 98.7 | Very high | 53 Ų | 53 | 27 Ų | 27 | 28% | 0.283 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 40.6 | 171.2 | -147.5 | 14.8 | 0 | 0 | 0 | 116.3 | A386 V388 K469 P472 | A386-N390 CarbonylContact O-C 3.56Å; A386-N390 PolarHBondContact O-N 3.5Å; A386-N390 VanDerWaalsContact O-N 3.1Å; V388-N390 VanDerWaalsContact C-N 3.34Å; V388-N390 PolarHBondContact O-N 2.84Å; N390-K469 PolarHBondContact ND2-O 2.94Å; N390-P472 HydrophobicContact CB-CB 3.92Å |
| 391 | M | 98.6 | Very high | 98.7 | Very high | 9 Ų | 9 | 29.2 Ų | 29.2 | 4% | 0.044 | 16% | 0.162 | C | C | . | . | trans | -109.2 | -4 | 172.8 | -57.7 | -176.5 | -70.6 | 0 | 0 | 113.1 | V67 I102 A386 F389 R394 K395 I466 R468 | V67-M391 HydrophobicContact CG1-CE 3.94Å; I102-M391 HydrophobicContact CD1-CE 3.77Å; I102-M391 HydrophobicContact CG1-CE 4.3Å; A386-M391 HydrophobicContact CB-CB 4.28Å; A386-M391 PolarHBondContact O-N 2.81Å; F389-M391 HydrophobicContact CB-CE 4.33Å; M391-R394 WeakPolarHBondContact O-CA 3.34Å; M391-R394 VanDerWaalsContact O-CB 3.28Å; M391-R394 WeakPolarHBondContact O-CB 3.27Å; M391-R394 PolarHBondContact O-N 3.45Å; M391-K395 HydrophobicContact CB-CB 4.24Å; M391-K395 HydrophobicContact CB-CG 4.2Å; M391-K395 PolarHBondContact O-N 3.47Å; M391-I466 HydrophobicContact CG-CG2 3.88Å; M391-I466 HydrophobicContact SD-CB 4.18Å; M391-I466 HydrophobicContact SD-CG2 3.62Å; M391-R468 HydrophobicContact CG-CG 3.92Å; M391-R468 HydrophobicContact SD-CG 4.25Å | ||
| 392 | Y | 98.8 | Very high | 98.7 | Very high | 75 Ų | 75 | 29.2 Ų | 29.2 | 29% | 0.294 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 142.1 | -179.8 | -179.4 | -90.9 | 0 | 0 | 0 | 112.6 | T383 A386 K387 R397 | T383-Y392 HydrophobicContact CG2-CD2 3.7Å; T383-Y392 HydrophobicContact CG2-CE2 3.5Å; T383-Y392 VanDerWaalsContact CG2-CE2 3.5Å; A386-Y392 PolarHBondContact O-N 2.66Å; K387-Y392 HydrophobicContact CG-CD1 3.99Å; K387-Y392 HydrophobicContact CG-CD2 4.01Å; K387-Y392 HydrophobicContact CG-CG 3.64Å; Y392-R397 HydrophobicContact CE2-CB 3.98Å; Y392-R397 HydrophobicContact CE2-CG 4.43Å; Y392-R397 WeakPolarHBondContact OH-CD 3.29Å; Y392-R397 PolarHBondContact OH-NH1 3.38Å |
| 393 | P | 98.4 | Very high | 98.7 | Very high | 65 Ų | 65 | 30.1 Ų | 30.1 | 42% | 0.422 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.4 | 11.5 | -1.8 | 37.5 | -36.4 | 0 | 0 | 0 | 113.6 | K395 R397 S402 | P393-K395 CarbonylContact C-O 3.27Å; P393-K395 PolarHBondContact O-N 3.13Å; P393-R397 HydrophobicContact CB-CB 4.32Å; P393-S402 WeakPolarHBondContact O-CB 3.44Å; P393-S402 PolarHBondContact O-OG 3.29Å |
| 394 | R | 98.6 | Very high | 98.7 | Very high | 96 Ų | 96 | 30.1 Ų | 30.1 | 36% | 0.362 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -40.9 | 178.5 | -179.8 | -177.3 | 174 | -164.1 | -8.3 | 111.3 | M391 D403 | M391-R394 WeakPolarHBondContact O-CA 3.34Å; M391-R394 VanDerWaalsContact O-CB 3.28Å; M391-R394 WeakPolarHBondContact O-CB 3.27Å; M391-R394 PolarHBondContact O-N 3.45Å; R394-D403 HydrophobicContact CG-CB 4.44Å; R394-D403 WeakPolarHBondContact CG-OD1 3.47Å; R394-D403 IonicContact CZ-OD2 2.73Å; R394-D403 IonicContact NE-OD1 3.14Å; R394-D403 PolarHBondContact NE-OD1 2.87Å; R394-D403 VanDerWaalsContact NE-OD1 3.13Å; R394-D403 IonicContact NE-OD2 3.61Å; R394-D403 PolarHBondContact NE-OD2 3.01Å; R394-D403 IonicContact NH2-OD2 3.79Å; R394-D403 PolarHBondContact NH2-OD2 3.01Å; R394-D403 WeakPolarHBondContact O-CB 3.47Å; R394-D403 PolarHBondContact O-N 3.33Å |
| 395 | K | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 2% | 0.022 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -112.9 | 159.5 | 167.7 | -58.7 | -63.4 | -170.4 | -156 | 0 | 110.6 | V67 T100 D131 A386 M391 P393 R397 D403 D405 | V67-K395 HydrophobicContact CG2-CB 4.41Å; T100-K395 WeakPolarHBondContact OG1-CE 3.4Å; D131-K395 IonicContact OD2-NZ 3.3Å; D131-K395 PolarHBondContact OD2-NZ 3.27Å; A386-K395 HydrophobicContact CB-CB 4.21Å; A386-K395 WeakPolarHBondContact CB-O 3.27Å; M391-K395 HydrophobicContact CB-CB 4.24Å; M391-K395 HydrophobicContact CB-CG 4.2Å; M391-K395 PolarHBondContact O-N 3.47Å; P393-K395 CarbonylContact C-O 3.27Å; P393-K395 PolarHBondContact O-N 3.13Å; K395-R397 PolarHBondContact O-N 3.44Å; K395-D403 HydrophobicContact CD-CB 4.41Å; K395-D403 IonicContact NZ-OD2 3.17Å; K395-D403 PolarHBondContact NZ-OD2 2.69Å; K395-D405 WeakPolarHBondContact CD-OD2 3.38Å; K395-D405 VanDerWaalsContact CE-OD2 3.31Å; K395-D405 WeakPolarHBondContact CE-OD2 3.32Å; K395-D405 IonicContact NZ-OD1 3.52Å; K395-D405 IonicContact NZ-OD2 2.64Å; K395-D405 PolarHBondContact NZ-OD2 3.47Å |
| 396 | G | 98.5 | Very high | 98.7 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 72.2 | 23.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T383 | T383-G396 PolarHBondContact OG1-O 3.49Š|
| 397 | R | 98.8 | Very high | 98.7 | Very high | 43 Ų | 43 | 28.5 Ų | 28.5 | 16% | 0.162 | 16% | 0.159 | C | C | . | . | trans | -155.6 | 137.4 | 171.5 | -162.4 | 172.2 | -177.7 | 80.2 | 0.8 | 112 | N23 D24 D25 Y392 P393 K395 A399 S402 | N23-R397 WeakPolarHBondContact OD1-CA 3.37Å; N23-R397 WeakPolarHBondContact OD1-CG 3.41Å; D24-R397 IonicContact OD1-NH1 3.75Å; D24-R397 PolarHBondContact OD1-NH1 3.47Å; D25-R397 IonicContact OD1-CZ 3.47Å; D25-R397 VanDerWaalsContact OD1-CZ 3.28Å; D25-R397 IonicContact OD1-NH1 3.74Å; D25-R397 PolarHBondContact OD1-NH1 3.03Å; D25-R397 IonicContact OD1-NH2 3.62Å; D25-R397 PolarHBondContact OD1-NH2 3.1Å; D25-R397 IonicContact OD2-CZ 2.65Å; D25-R397 IonicContact OD2-NH1 3.05Å; D25-R397 IonicContact OD2-NH2 3.92Å; D25-R397 PolarHBondContact OD2-NH2 2.86Å; Y392-R397 HydrophobicContact CE2-CB 3.98Å; Y392-R397 HydrophobicContact CE2-CG 4.43Å; Y392-R397 WeakPolarHBondContact OH-CD 3.29Å; Y392-R397 PolarHBondContact OH-NH1 3.38Å; P393-R397 HydrophobicContact CB-CB 4.32Å; K395-R397 PolarHBondContact O-N 3.44Å; R397-A399 HydrophobicContact CG-CB 4.07Å; R397-A399 PolarHBondContact O-N 3.17Å; R397-S402 WeakPolarHBondContact O-CB 3.48Å; R397-S402 PolarHBondContact O-OG 2.81Å | ||
| 398 | I | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | trans | -85 | 93.4 | 166.2 | -52.8 | -53.1 | 0 | 0 | 0 | 107.6 | V21 N23 V32 I39 I42 P64 I406 | V21-I398 HydrophobicContact CG1-CB 3.76Å; V21-I398 HydrophobicContact CG1-CG1 4.25Å; V21-I398 HydrophobicContact CG1-CG2 3.69Å; V21-I398 HydrophobicContact CG2-CG2 4.48Å; N23-I398 PolarHBondContact ND2-O 2.87Å; N23-I398 PolarHBondContact OD1-N 2.7Å; V32-I398 HydrophobicContact CG1-CG2 4.46Å; V32-I398 HydrophobicContact CG2-CG2 4.08Å; I39-I398 HydrophobicContact CD1-CD1 4.28Å; I39-I398 HydrophobicContact CD1-CG2 4.1Å; I42-I398 HydrophobicContact CD1-CG2 3.97Å; P64-I398 HydrophobicContact CB-CD1 4.33Å; P64-I398 HydrophobicContact CG-CD1 4.16Å; P64-I398 HydrophobicContact CG-CG1 4.01Å; I398-I406 HydrophobicContact CD1-CB 4.29Å; I398-I406 HydrophobicContact CD1-CD1 4.02Å; I398-I406 HydrophobicContact CD1-CG1 3.72Å; I398-I406 HydrophobicContact CD1-CG2 4Å | ||
| 399 | A | 98.6 | Very high | 98.7 | Very high | 24 Ų | 24 | 26.4 Ų | 26.4 | 20% | 0.198 | 15% | 0.149 | C | C | . | . | trans | -145.6 | 152.6 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | I39 R397 G401 S402 | I39-A399 WeakPolarHBondContact CB-O 3.32Å; R397-A399 HydrophobicContact CG-CB 4.07Å; R397-A399 PolarHBondContact O-N 3.17Å; A399-G401 PolarHBondContact O-N 3.2Å; A399-S402 VanDerWaalsContact O-CB 3.28Å; A399-S402 WeakPolarHBondContact O-CB 3.14Å; A399-S402 PolarHBondContact O-N 2.97Å; A399-S402 PolarHBondContact O-OG 2.88Å | ||
| 400 | V | 98.6 | Very high | 98.7 | Very high | 96 Ų | 96 | 27.6 Ų | 27.6 | 58% | 0.582 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 128.1 | 174.1 | 175.4 | 0 | 0 | 0 | 0 | 109.8 | I39 R40 I42 | I39-V400 WeakPolarHBondContact O-CA 3.29Å; R40-V400 WeakPolarHBondContact O-CG1 3.38Å; I42-V400 HydrophobicContact CD1-CG2 4.46Å; I42-V400 HydrophobicContact CG1-CG2 4.32Å |
| 401 | G | 98.4 | Very high | 98.6 | Very high | 52 Ų | 52 | 26.5 Ų | 26.5 | 54% | 0.536 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -8.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | I39 A399 | I39-G401 PolarHBondContact O-N 3Å; A399-G401 PolarHBondContact O-N 3.2Å |
| 402 | S | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -74.4 | 155.4 | 170.1 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | T38 I39 P393 R397 A399 | T38-S402 WeakPolarHBondContact CG2-O 3.49Å; I39-S402 PolarHBondContact N-O 2.96Å; P393-S402 WeakPolarHBondContact O-CB 3.44Å; P393-S402 PolarHBondContact O-OG 3.29Å; R397-S402 WeakPolarHBondContact O-CB 3.48Å; R397-S402 PolarHBondContact O-OG 2.81Å; A399-S402 VanDerWaalsContact O-CB 3.28Å; A399-S402 WeakPolarHBondContact O-CB 3.14Å; A399-S402 PolarHBondContact O-N 2.97Å; A399-S402 PolarHBondContact O-OG 2.88Å |
| 403 | D | 98.7 | Very high | 98.4 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 10% | 0.096 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -61.5 | 141.5 | 173.2 | -72.4 | 2.7 | 0 | 0 | 0 | 108.9 | R394 K395 D405 R464 | R394-D403 HydrophobicContact CG-CB 4.44Å; R394-D403 WeakPolarHBondContact CG-OD1 3.47Å; R394-D403 IonicContact CZ-OD2 2.73Å; R394-D403 IonicContact NE-OD1 3.14Å; R394-D403 PolarHBondContact NE-OD1 2.87Å; R394-D403 VanDerWaalsContact NE-OD1 3.13Å; R394-D403 IonicContact NE-OD2 3.61Å; R394-D403 PolarHBondContact NE-OD2 3.01Å; R394-D403 IonicContact NH2-OD2 3.79Å; R394-D403 PolarHBondContact NH2-OD2 3.01Å; R394-D403 WeakPolarHBondContact O-CB 3.47Å; R394-D403 PolarHBondContact O-N 3.33Å; K395-D403 HydrophobicContact CD-CB 4.41Å; K395-D403 IonicContact NZ-OD2 3.17Å; K395-D403 PolarHBondContact NZ-OD2 2.69Å; D403-D405 PolarHBondContact O-N 3.07Å; D403-R464 IonicContact OD2-NH2 2.85Å; D403-R464 PolarHBondContact OD2-NH2 3.1Å |
| 404 | A | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -80.2 | 64.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I34 G37 I39 I444 G447 | I34-A404 HydrophobicContact CB-CB 4.29Å; I34-A404 HydrophobicContact CD1-CB 4.12Å; I34-A404 HydrophobicContact CG1-CB 3.96Å; I34-A404 HydrophobicContact CG2-CB 3.38Å; G37-A404 WeakPolarHBondContact O-CB 3.43Å; G37-A404 PolarHBondContact O-N 3.2Å; I39-A404 HydrophobicContact CG1-CB 4.35Å; A404-I444 WeakPolarHBondContact O-CG2 3.33Å; A404-G447 PolarHBondContact O-N 2.78Å | ||
| 405 | D | 98.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | trans | -107.9 | 96.3 | 173.1 | -76.8 | 6.5 | 0 | 0 | 0 | 108.4 | G65 T99 K395 D403 I444 G446 | G65-D405 PolarHBondContact N-O 2.97Å; T99-D405 HydrophobicContact CG2-CB 4.36Å; T99-D405 WeakPolarHBondContact OG1-CB 3.38Å; K395-D405 WeakPolarHBondContact CD-OD2 3.38Å; K395-D405 VanDerWaalsContact CE-OD2 3.31Å; K395-D405 WeakPolarHBondContact CE-OD2 3.32Å; K395-D405 IonicContact NZ-OD1 3.52Å; K395-D405 IonicContact NZ-OD2 2.64Å; K395-D405 PolarHBondContact NZ-OD2 3.47Å; D403-D405 PolarHBondContact O-N 3.07Å; D405-I444 CarbonylContact C-O 3.55Å; D405-I444 VanDerWaalsContact CA-O 3.29Å; D405-I444 WeakPolarHBondContact CA-O 3.35Å; D405-G446 PolarHBondContact OD1-N 3.46Å | ||
| 406 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 141 | -163.4 | -50.7 | -174.4 | 0 | 0 | 0 | 109.5 | I16 V32 I34 I39 V62 I63 I398 I444 | I16-I406 HydrophobicContact CD1-CB 4.32Å; I16-I406 HydrophobicContact CD1-CD1 3.97Å; I16-I406 HydrophobicContact CD1-CG2 3.72Å; V32-I406 HydrophobicContact CG1-CD1 4.02Å; I34-I406 HydrophobicContact CD1-CD1 3.88Å; I34-I406 HydrophobicContact CG1-CD1 4.38Å; I39-I406 HydrophobicContact CD1-CD1 3.82Å; I39-I406 HydrophobicContact CD1-CG1 4.42Å; I39-I406 HydrophobicContact CG1-CD1 3.99Å; V62-I406 HydrophobicContact CG1-CG2 3.48Å; V62-I406 VanDerWaalsContact CG1-CG2 3.48Å; I63-I406 WeakPolarHBondContact O-CA 3.49Å; I398-I406 HydrophobicContact CD1-CB 4.29Å; I398-I406 HydrophobicContact CD1-CD1 4.02Å; I398-I406 HydrophobicContact CD1-CG1 3.72Å; I398-I406 HydrophobicContact CD1-CG2 4Å; I406-I444 HydrophobicContact CB-CB 4.36Å; I406-I444 HydrophobicContact CB-CD1 4.38Å; I406-I444 PolarHBondContact N-O 2.74Å; I406-I444 PolarHBondContact O-N 3.38Å |
| 407 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129 | 173 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | I63 G97 W409 P440 V442 V443 | I63-V407 HydrophobicContact CD1-CB 4.26Å; I63-V407 HydrophobicContact CD1-CG1 4.45Å; I63-V407 HydrophobicContact CG1-CB 3.75Å; I63-V407 HydrophobicContact CG1-CG1 4.35Å; I63-V407 PolarHBondContact N-O 3.11Å; I63-V407 PolarHBondContact O-N 2.81Å; G97-V407 VanDerWaalsContact O-CG2 3.27Å; G97-V407 WeakPolarHBondContact O-CG2 3.33Å; V407-W409 HydrophobicContact CG1-CB 4.33Å; V407-W409 HydrophobicContact CG1-CE3 4.02Å; V407-P440 HydrophobicContact CG1-CB 3.68Å; V407-V442 WeakPolarHBondContact CA-O 3.46Å; V407-V443 HydrophobicContact CG1-CG2 4.38Å; V407-V443 HydrophobicContact CG2-CG1 4.35Å; V407-V443 HydrophobicContact CG2-CG2 4.24Å |
| 408 | I | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 113.1 | 161.6 | -54.8 | 179.9 | 0 | 0 | 0 | 105.9 | I16 L55 A57 H60 L61 T441 V442 | I16-I408 HydrophobicContact CG2-CD1 3.95Å; I16-I408 HydrophobicContact CG2-CG1 4.32Å; L55-I408 HydrophobicContact CB-CD1 3.96Å; L55-I408 HydrophobicContact CD1-CD1 4.49Å; A57-I408 HydrophobicContact CB-CD1 4.14Å; A57-I408 HydrophobicContact CB-CG1 4.46Å; A57-I408 HydrophobicContact CB-CG2 3.96Å; H60-I408 HydrophobicContact CB-CG2 3.57Å; L61-I408 CarbonylContact O-C 3.54Å; L61-I408 WeakPolarHBondContact O-CA 3.48Å; I408-T441 PolarHBondContact O-N 2.64Å; I408-T441 PolarHBondContact O-OG1 2.98Å; I408-V442 HydrophobicContact CB-CB 3.93Å; I408-V442 HydrophobicContact CB-CG2 4.37Å; I408-V442 HydrophobicContact CD1-CB 3.86Å; I408-V442 HydrophobicContact CD1-CG1 4.29Å; I408-V442 HydrophobicContact CD1-CG2 4.02Å; I408-V442 HydrophobicContact CG1-CB 4Å; I408-V442 PolarHBondContact N-O 2.88Å; I408-V442 PolarHBondContact O-N 3.47Å |
| 409 | W | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.5 | -169.5 | -177.1 | -96.9 | 0 | 0 | 0 | 110.8 | H60 L61 I63 L359 W363 F377 V407 P411 G438 V439 P440 | H60-W409 WeakPolarHBondContact CB-O 3.43Å; L61-W409 HydrophobicContact CB-CB 4.21Å; L61-W409 PolarHBondContact N-O 3.23Å; L61-W409 PolarHBondContact O-N 2.99Å; I63-W409 HydrophobicContact CD1-CB 3.96Å; I63-W409 HydrophobicContact CD1-CD2 4.26Å; I63-W409 HydrophobicContact CD1-CE3 4.29Å; I63-W409 HydrophobicContact CD1-CG 4.15Å; I63-W409 HydrophobicContact CG1-CB 4.31Å; L359-W409 HydrophobicContact CB-CH2 3.68Å; L359-W409 HydrophobicContact CB-CZ3 3.8Å; L359-W409 HydrophobicContact CD2-CZ3 4.18Å; W363-W409 HydrophobicContact CB-CZ2 3.66Å; W363-W409 AromaticContact CD2-CE2 3.94Å; W363-W409 HydrophobicContact CD2-CZ2 4.12Å; W363-W409 AromaticContact CD2-NE1 3.22Å; W363-W409 AromaticContact CE2-NE1 3.57Å; W363-W409 HydrophobicContact CE3-CZ2 4.4Å; W363-W409 AromaticContact CE3-NE1 3.33Å; W363-W409 VanDerWaalsContact CE3-NE1 3.33Å; W363-W409 AromaticContact CG-CZ2 3.78Å; W363-W409 HydrophobicContact CG-CZ2 3.78Å; W363-W409 AromaticContact CG-NE1 3.74Å; W363-W409 AromaticContact CZ3-NE1 3.8Å; F377-W409 HydrophobicContact CZ-CZ2 4.4Å; V407-W409 HydrophobicContact CG1-CB 4.33Å; V407-W409 HydrophobicContact CG1-CE3 4.02Å; W409-P411 VanDerWaalsContact O-CD 3.3Å; W409-P411 WeakPolarHBondContact O-CD 3.26Å; W409-G438 VanDerWaalsContact CH2-O 3.31Å; W409-G438 WeakPolarHBondContact CH2-O 3.38Å; W409-G438 VanDerWaalsContact CZ2-CA 3.44Å; W409-G438 VanDerWaalsContact CZ2-O 3.26Å; W409-G438 WeakPolarHBondContact CZ2-O 3.3Å; W409-V439 VanDerWaalsContact CE3-C 3.5Å; W409-P440 HydrophobicContact CE3-CB 4.24Å; W409-P440 HydrophobicContact CZ3-CB 4.27Å; W409-P440 HydrophobicContact CZ3-CG 4.38Å |
| 410 | N | 98.2 | Very high | 97.8 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 105.8 | 174.1 | -173.5 | -11.5 | 0 | 0 | 0 | 110.1 | H60 K412 E413 G438 V439 T441 | H60-N410 VanDerWaalsContact CD2-CB 3.49Å; H60-N410 WeakPolarHBondContact CD2-CB 3.28Å; N410-K412 PolarHBondContact O-N 3.26Å; N410-K412 PolarHBondContact OD1-N 3.35Å; N410-K412 VanDerWaalsContact OD1-N 3.09Å; N410-E413 HydrophobicContact CB-CB 4.28Å; N410-E413 VanDerWaalsContact ND2-CB 3.28Å; N410-E413 WeakPolarHBondContact ND2-CB 3.39Å; N410-E413 PolarHBondContact ND2-OE2 3.33Å; N410-E413 PolarHBondContact OD1-N 3.23Å; N410-G438 VanDerWaalsContact O-CA 3.24Å; N410-G438 WeakPolarHBondContact O-CA 3.34Å; N410-V439 HydrophobicContact CB-CG2 4.11Å; N410-V439 PolarHBondContact N-O 2.82Å; N410-V439 PolarHBondContact O-N 3.22Å; N410-T441 HydrophobicContact CB-CG2 3.57Å |
| 411 | P | 97.6 | Very high | 97.6 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 20% | 0.195 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -8.2 | -175.6 | 31.4 | -36.3 | 0 | 0 | 0 | 114.2 | W363 W409 | W363-P411 HydrophobicContact CH2-CB 4.11Å; W363-P411 HydrophobicContact CZ2-CB 3.29Å; W363-P411 PolarHBondContact NE1-O 2.94Å; W409-P411 VanDerWaalsContact O-CD 3.3Å; W409-P411 WeakPolarHBondContact O-CD 3.26Å |
| 412 | K | 95.9 | Very high | 97.4 | Very high | 172 Ų | 172 | 39.7 Ų | 39.7 | 75% | 0.748 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -27 | -171.1 | -63.7 | 178.3 | -175.8 | 172.5 | 0 | 114 | N410 | N410-K412 PolarHBondContact O-N 3.26Å; N410-K412 PolarHBondContact OD1-N 3.35Å; N410-K412 VanDerWaalsContact OD1-N 3.09Å |
| 413 | E | 96.8 | Very high | 97.3 | Very high | 97 Ų | 97 | 41.3 Ų | 41.3 | 45% | 0.453 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 152.5 | -178.7 | 179 | 168.7 | -162.9 | 0 | 0 | 110.7 | N410 R437 G438 V439 | N410-E413 HydrophobicContact CB-CB 4.28Å; N410-E413 VanDerWaalsContact ND2-CB 3.28Å; N410-E413 WeakPolarHBondContact ND2-CB 3.39Å; N410-E413 PolarHBondContact ND2-OE2 3.33Å; N410-E413 PolarHBondContact OD1-N 3.23Å; E413-R437 CarbonylContact O-C 3.54Å; E413-R437 WeakPolarHBondContact O-CA 3.36Å; E413-G438 PolarHBondContact O-N 2.78Å; E413-V439 HydrophobicContact CB-CG2 3.79Å; E413-V439 HydrophobicContact CG-CG2 3.7Å |
| 414 | T | 97.3 | Very high | 97.1 | Very high | 66 Ų | 66 | 41 Ų | 41 | 41% | 0.405 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.8 | -173 | -59.9 | 0 | 0 | 0 | 0 | 109.6 | E435 F436 | T414-E435 HydrophobicContact CG2-CB 3.77Å; T414-E435 HydrophobicContact CG2-CG 4.33Å; T414-F436 CarbonylContact C-O 3.57Å; T414-F436 WeakPolarHBondContact CA-O 3.38Å |
| 415 | L | 96.9 | Very high | 96.9 | Very high | 53 Ų | 53 | 44.5 Ų | 44.5 | 28% | 0.277 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 124 | 166.9 | 172.2 | 65.7 | 0 | 0 | 0 | 109.1 | V417 E435 F436 V439 | L415-V417 HydrophobicContact CD2-CG2 4.22Å; L415-V417 HydrophobicContact CG-CG2 4.28Å; L415-E435 CarbonylContact O-C 3.47Å; L415-E435 VanDerWaalsContact O-CA 3.29Å; L415-E435 WeakPolarHBondContact O-CA 3.19Å; L415-F436 PolarHBondContact N-O 3.49Å; L415-F436 PolarHBondContact O-N 3.03Å; L415-V439 HydrophobicContact CB-CG1 3.7Å |
| 416 | T | 97.9 | Very high | 96.6 | Very high | 73 Ų | 73 | 44.8 Ų | 44.8 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 117.4 | 163 | -56.2 | 0 | 0 | 0 | 0 | 108.1 | F434 E435 | T416-F434 WeakPolarHBondContact CA-O 3.3Å; T416-E435 HydrophobicContact CG2-CG 4.43Å |
| 417 | V | 97.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 128.9 | -177.5 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | E357 L415 N429 L431 G433 F434 F436 | E357-V417 HydrophobicContact CG-CG1 4.18Å; E357-V417 HydrophobicContact CG-CG2 3.84Å; L415-V417 HydrophobicContact CD2-CG2 4.22Å; L415-V417 HydrophobicContact CG-CG2 4.28Å; V417-N429 HydrophobicContact CG1-CB 4.37Å; V417-N429 VanDerWaalsContact CG1-ND2 3.33Å; V417-N429 WeakPolarHBondContact CG1-ND2 3.4Å; V417-L431 HydrophobicContact CB-CB 4.44Å; V417-L431 WeakPolarHBondContact CB-O 3.43Å; V417-L431 HydrophobicContact CG1-CB 4.07Å; V417-L431 HydrophobicContact CG2-CB 4.45Å; V417-G433 PolarHBondContact O-N 3.28Å; V417-F434 PolarHBondContact N-O 3.27Å; V417-F436 HydrophobicContact CG2-CD2 3.79Å; V417-F436 HydrophobicContact CG2-CE2 3.79Å |
| 418 | S | 97 | Very high | 96.1 | Very high | 21 Ų | 21 | 52.1 Ų | 52.1 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | trans | -146.6 | 138 | 169.2 | -174.3 | 0 | 0 | 0 | 0 | 112 | T420 T421 H422 E432 | S418-T420 PolarHBondContact O-N 3.06Å; S418-T420 VanDerWaalsContact O-N 3.16Å; S418-T420 PolarHBondContact OG-N 3.49Å; S418-T420 PolarHBondContact OG-OG1 3.39Å; S418-T421 PolarHBondContact O-N 3.45Å; S418-T421 VanDerWaalsContact O-N 3.07Å; S418-T421 PolarHBondContact O-OG1 2.89Å; S418-H422 PolarHBondContact O-N 2.91Å; S418-E432 VanDerWaalsContact CA-OE1 3.31Å; S418-E432 WeakPolarHBondContact CA-OE1 3.5Å; S418-E432 WeakPolarHBondContact CA-OE2 3.49Å; S418-E432 WeakPolarHBondContact CB-OE1 3.24Å; S418-E432 PolarHBondContact OG-OE1 2.98Å | ||
| 419 | A | 95.6 | Very high | 96 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T421 H422 N429 E432 | A419-T421 VanDerWaalsContact C-N 3.34Å; A419-H422 PolarHBondContact O-CD2 3.43Å; A419-H422 PolarHBondContact O-NE2 3.44Å; A419-H422 VanDerWaalsContact O-NE2 3.12Å; A419-N429 HydrophobicContact CB-CB 4.17Å; A419-E432 PolarHBondContact N-OE2 2.85Å |
| 420 | T | 95.8 | Very high | 95.9 | Very high | 127 Ų | 127 | 52.5 Ų | 52.5 | 78% | 0.779 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -20 | 176.9 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | S418 | S418-T420 PolarHBondContact O-N 3.06Å; S418-T420 VanDerWaalsContact O-N 3.16Å; S418-T420 PolarHBondContact OG-N 3.49Å; S418-T420 PolarHBondContact OG-OG1 3.39Å |
| 421 | T | 93.8 | Very high | 95.9 | Very high | 95 Ų | 95 | 51.3 Ų | 51.3 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | -13.9 | -175.2 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | S418 A419 | S418-T421 PolarHBondContact O-N 3.45Å; S418-T421 VanDerWaalsContact O-N 3.07Å; S418-T421 PolarHBondContact O-OG1 2.89Å; A419-T421 VanDerWaalsContact C-N 3.34Å |
| 422 | H | 95 | Very high | 95.9 | Very high | 23 Ų | 23 | 54.2 Ų | 54.2 | 11% | 0.106 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -67.2 | 166.6 | 177.4 | 73 | 179.5 | 0 | 0 | 0 | 112.1 | S418 A419 L424 L426 N429 | S418-H422 PolarHBondContact O-N 2.91Å; A419-H422 PolarHBondContact O-CD2 3.43Å; A419-H422 PolarHBondContact O-NE2 3.44Å; A419-H422 VanDerWaalsContact O-NE2 3.12Å; H422-L424 PolarHBondContact NE2-O 2.79Å; H422-L426 PolarHBondContact CE1-O 2.88Å; H422-L426 VanDerWaalsContact CE1-O 3.26Å; H422-L426 PolarHBondContact NE2-O 3.28Å; H422-N429 PolarHBondContact ND1-ND2 3.26Å |
| 423 | N | 95.8 | Very high | 95.9 | Very high | 36 Ų | 36 | 48.4 Ų | 48.4 | 19% | 0.193 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -100.6 | 27.6 | 178.8 | -71.7 | -89.9 | 0 | 0 | 0 | 111.8 | Q88 A92 S95 E356 | Q88-N423 PolarHBondContact NE2-O 3.22Å; A92-N423 HydrophobicContact CB-CB 4.1Å; S95-N423 PolarHBondContact OG-ND2 3.46Å; E356-N423 PolarHBondContact OE1-ND2 2.88Å; E356-N423 PolarHBondContact OE2-N 2.89Å |
| 424 | L | 95.6 | Very high | 96 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -106.2 | 170.5 | 171.3 | -62.6 | 171.5 | 0 | 0 | 0 | 110.3 | D84 A92 I355 H422 | D84-L424 HydrophobicContact CB-CD2 4.13Å; A92-L424 HydrophobicContact CB-CD2 3.47Å; A92-L424 VanDerWaalsContact CB-CD2 3.47Å; A92-L424 HydrophobicContact CB-CG 3.93Å; I355-L424 HydrophobicContact CG2-CD2 4.09Å; H422-L424 PolarHBondContact NE2-O 2.79Å |
| 425 | T | 94.1 | Very high | 96 | Very high | 73 Ų | 73 | 49.6 Ų | 49.6 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -90.5 | -8.7 | 176.2 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | C83 D84 Q88 | C83-T425 PolarHBondContact O-OG1 3.35Å; C83-T425 PolarHBondContact SG-OG1 3.31Å; D84-T425 WeakPolarHBondContact OD1-CB 3.36Å; D84-T425 PolarHBondContact OD1-N 3.24Å; D84-T425 PolarHBondContact OD1-OG1 2.89Å; Q88-T425 HydrophobicContact CG-CG2 3.95Å |
| 426 | L | 92.7 | Very high | 96.1 | Very high | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | trans | -66.8 | 137.2 | -174.6 | -79.4 | 174.5 | 0 | 0 | 0 | 113 | F333 H422 V428 | F333-L426 WeakPolarHBondContact O-CD2 3.37Å; H422-L426 PolarHBondContact CE1-O 2.88Å; H422-L426 VanDerWaalsContact CE1-O 3.26Å; H422-L426 PolarHBondContact NE2-O 3.28Å; L426-V428 VanDerWaalsContact C-N 3.31Å; L426-V428 PolarHBondContact O-N 3.32Å | ||
| 427 | E | 93.6 | Very high | 96.1 | Very high | 111 Ų | 111 | 48.3 Ų | 48.3 | 52% | 0.519 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -79.1 | -18.2 | 176.8 | -46.3 | 97.1 | 158 | 0 | 0 | 113 | T335 | T335-E427 PolarHBondContact N-OE2 3.07Å; T335-E427 PolarHBondContact OG1-OE2 3.24Å |
| 428 | V | 93.2 | Very high | 96.1 | Very high | 42 Ų | 42 | 48.1 Ų | 48.1 | 26% | 0.255 | 26% | 0.264 | S | S | . | . | trans | -129.1 | 127.4 | -177 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | T293 A297 L426 | T293-V428 HydrophobicContact CG2-CG2 4.1Å; A297-V428 HydrophobicContact CB-CB 4.29Å; A297-V428 HydrophobicContact CB-CG1 3.73Å; L426-V428 VanDerWaalsContact C-N 3.31Å; L426-V428 PolarHBondContact O-N 3.32Å | ||
| 429 | N | 96 | Very high | 96.1 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | trans | -103.1 | 129.5 | 169.9 | -164 | -38 | 0 | 0 | 0 | 109.1 | S353 E357 V417 A419 H422 L431 E432 | S353-N429 PolarHBondContact OG-OD1 2.89Å; E357-N429 PolarHBondContact OE1-ND2 2.95Å; V417-N429 HydrophobicContact CG1-CB 4.37Å; V417-N429 VanDerWaalsContact CG1-ND2 3.33Å; V417-N429 WeakPolarHBondContact CG1-ND2 3.4Å; A419-N429 HydrophobicContact CB-CB 4.17Å; H422-N429 PolarHBondContact ND1-ND2 3.26Å; N429-L431 PolarHBondContact O-N 3.38Å; N429-L431 VanDerWaalsContact O-N 3.11Å; N429-L431 PolarHBondContact OD1-N 2.94Å; N429-E432 WeakPolarHBondContact O-CB 3.3Å; N429-E432 PolarHBondContact O-N 2.66Å; N429-E432 VanDerWaalsContact O-N 3.09Å | ||
| 430 | I | 96.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.3 | 179.6 | 61.1 | 159.7 | 0 | 0 | 0 | 113 | A278 A297 F298 T352 | A278-I430 HydrophobicContact CB-CD1 3.61Å; A297-I430 HydrophobicContact CB-CG2 4.42Å; A297-I430 WeakPolarHBondContact O-CG2 3.44Å; F298-I430 HydrophobicContact CD1-CB 4.21Å; F298-I430 HydrophobicContact CD1-CG2 4.28Å; F298-I430 HydrophobicContact CD2-CG2 4.13Å; F298-I430 HydrophobicContact CE1-CB 3.84Å; F298-I430 HydrophobicContact CE1-CG2 4.33Å; F298-I430 HydrophobicContact CE2-CB 4.23Å; F298-I430 HydrophobicContact CE2-CG2 4.18Å; F298-I430 HydrophobicContact CG-CG2 4.18Å; F298-I430 HydrophobicContact CZ-CB 3.85Å; F298-I430 HydrophobicContact CZ-CG2 4.28Å; F298-I430 VanDerWaalsContact CZ-O 3.23Å; F298-I430 WeakPolarHBondContact CZ-O 3.46Å; T352-I430 HydrophobicContact CG2-CD1 4.27Å; T352-I430 HydrophobicContact CG2-CG2 4.11Å |
| 431 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 19.1 | 177.4 | -49.7 | -175.8 | 0 | 0 | 0 | 112.3 | T277 A281 T282 E357 V361 V417 N429 G433 F434 F436 | T277-L431 HydrophobicContact CG2-CD1 4.27Å; A281-L431 HydrophobicContact CB-CD1 3.91Å; A281-L431 HydrophobicContact CB-CD2 3.51Å; A281-L431 HydrophobicContact CB-CG 4.38Å; T282-L431 HydrophobicContact CG2-CD2 3.99Å; E357-L431 HydrophobicContact CB-CD1 4.08Å; E357-L431 HydrophobicContact CG-CD1 4.35Å; V361-L431 HydrophobicContact CG2-CD1 3.85Å; V417-L431 HydrophobicContact CB-CB 4.44Å; V417-L431 WeakPolarHBondContact CB-O 3.43Å; V417-L431 HydrophobicContact CG1-CB 4.07Å; V417-L431 HydrophobicContact CG2-CB 4.45Å; N429-L431 PolarHBondContact O-N 3.38Å; N429-L431 VanDerWaalsContact O-N 3.11Å; N429-L431 PolarHBondContact OD1-N 2.94Å; L431-G433 PolarHBondContact O-N 3.46Å; L431-F434 HydrophobicContact CB-CB 4.47Å; L431-F434 HydrophobicContact CB-CG 4.49Å; L431-F434 WeakPolarHBondContact O-CB 3.41Å; L431-F434 WeakPolarHBondContact O-CD2 3.2Å; L431-F434 PolarHBondContact O-N 3.1Å; L431-F436 HydrophobicContact CB-CE2 4.43Å; L431-F436 HydrophobicContact CD1-CE2 3.99Å; L431-F436 HydrophobicContact CD1-CZ 4.27Å |
| 432 | E | 97.3 | Very high | 96.6 | Very high | 91 Ų | 91 | 39.5 Ų | 39.5 | 43% | 0.425 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 127.3 | -177.7 | -169 | 68.9 | -154.1 | 0 | 0 | 112.2 | S418 A419 N429 F434 | S418-E432 VanDerWaalsContact CA-OE1 3.31Å; S418-E432 WeakPolarHBondContact CA-OE1 3.5Å; S418-E432 WeakPolarHBondContact CA-OE2 3.49Å; S418-E432 WeakPolarHBondContact CB-OE1 3.24Å; S418-E432 PolarHBondContact OG-OE1 2.98Å; A419-E432 PolarHBondContact N-OE2 2.85Å; N429-E432 WeakPolarHBondContact O-CB 3.3Å; N429-E432 PolarHBondContact O-N 2.66Å; N429-E432 VanDerWaalsContact O-N 3.09Å; E432-F434 PolarHBondContact O-N 2.87Å |
| 433 | G | 97.4 | Very high | 96.7 | Very high | 50 Ų | 50 | 38.4 Ų | 38.4 | 52% | 0.515 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -0.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V417 L431 | V417-G433 PolarHBondContact O-N 3.28Å; L431-G433 PolarHBondContact O-N 3.46Å |
| 434 | F | 98 | Very high | 96.9 | Very high | 57 Ų | 57 | 36.7 Ų | 36.7 | 25% | 0.25 | 19% | 0.194 | C | C | . | . | trans | -69.2 | 144.4 | 173 | -79.4 | -124.1 | 0 | 0 | 0 | 110.3 | T416 V417 L431 E432 F436 | T416-F434 WeakPolarHBondContact CA-O 3.3Å; V417-F434 PolarHBondContact N-O 3.27Å; L431-F434 HydrophobicContact CB-CB 4.47Å; L431-F434 HydrophobicContact CB-CG 4.49Å; L431-F434 WeakPolarHBondContact O-CB 3.41Å; L431-F434 WeakPolarHBondContact O-CD2 3.2Å; L431-F434 PolarHBondContact O-N 3.1Å; E432-F434 PolarHBondContact O-N 2.87Å; F434-F436 HydrophobicContact CB-CD2 4.37Å; F434-F436 HydrophobicContact CB-CE1 4.32Å; F434-F436 HydrophobicContact CB-CE2 3.61Å; F434-F436 HydrophobicContact CB-CZ 3.58Å; F434-F436 HydrophobicContact CD1-CE1 4.03Å; F434-F436 HydrophobicContact CD1-CE2 4.45Å; F434-F436 AromaticContact CD1-CZ 3.57Å; F434-F436 HydrophobicContact CD1-CZ 3.57Å; F434-F436 HydrophobicContact CG-CE2 4.41Å; F434-F436 AromaticContact CG-CZ 3.96Å; F434-F436 HydrophobicContact CG-CZ 3.96Å | ||
| 435 | E | 98.3 | Very high | 97 | Very high | 130 Ų | 130 | 36.7 Ų | 36.7 | 61% | 0.607 | 20% | 0.196 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 123 | 174.5 | -67.8 | -173.5 | 166.3 | 0 | 0 | 109.6 | T414 L415 T416 | T414-E435 HydrophobicContact CG2-CB 3.77Å; T414-E435 HydrophobicContact CG2-CG 4.33Å; L415-E435 CarbonylContact O-C 3.47Å; L415-E435 VanDerWaalsContact O-CA 3.29Å; L415-E435 WeakPolarHBondContact O-CA 3.19Å; T416-E435 HydrophobicContact CG2-CG 4.43Å |
| 436 | F | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124.9 | 179.3 | -61.1 | -59.9 | 0 | 0 | 0 | 110.6 | A281 V361 D364 T414 L415 V417 L431 F434 | A281-F436 HydrophobicContact CB-CZ 4.28Å; V361-F436 HydrophobicContact CG2-CD1 4.4Å; V361-F436 HydrophobicContact CG2-CD2 3.95Å; V361-F436 HydrophobicContact CG2-CE1 4.06Å; V361-F436 HydrophobicContact CG2-CE2 3.57Å; V361-F436 HydrophobicContact CG2-CG 4.35Å; V361-F436 HydrophobicContact CG2-CZ 3.63Å; D364-F436 HydrophobicContact CB-CB 4Å; D364-F436 HydrophobicContact CB-CD1 3.86Å; D364-F436 HydrophobicContact CB-CG 4.41Å; T414-F436 CarbonylContact C-O 3.57Å; T414-F436 WeakPolarHBondContact CA-O 3.38Å; L415-F436 PolarHBondContact N-O 3.49Å; L415-F436 PolarHBondContact O-N 3.03Å; V417-F436 HydrophobicContact CG2-CD2 3.79Å; V417-F436 HydrophobicContact CG2-CE2 3.79Å; L431-F436 HydrophobicContact CB-CE2 4.43Å; L431-F436 HydrophobicContact CD1-CE2 3.99Å; L431-F436 HydrophobicContact CD1-CZ 4.27Å; F434-F436 HydrophobicContact CB-CD2 4.37Å; F434-F436 HydrophobicContact CB-CE1 4.32Å; F434-F436 HydrophobicContact CB-CE2 3.61Å; F434-F436 HydrophobicContact CB-CZ 3.58Å; F434-F436 HydrophobicContact CD1-CE1 4.03Å; F434-F436 HydrophobicContact CD1-CE2 4.45Å; F434-F436 AromaticContact CD1-CZ 3.57Å; F434-F436 HydrophobicContact CD1-CZ 3.57Å; F434-F436 HydrophobicContact CG-CE2 4.41Å; F434-F436 AromaticContact CG-CZ 3.96Å; F434-F436 HydrophobicContact CG-CZ 3.96Å |
| 437 | R | 98.1 | Very high | 97.2 | Very high | 99 Ų | 99 | 33.6 Ų | 33.6 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 150.7 | 170.2 | -69.5 | 169.2 | -69.5 | 171 | 1.5 | 110.4 | D364 S368 E413 | D364-R437 IonicContact OD1-CZ 2.74Å; D364-R437 PolarHBondContact OD1-N 2.58Å; D364-R437 IonicContact OD1-NE 3.58Å; D364-R437 PolarHBondContact OD1-NE 3.36Å; D364-R437 IonicContact OD1-NH2 3.63Å; D364-R437 PolarHBondContact OD1-NH2 3.47Å; D364-R437 VanDerWaalsContact OD1-NH2 3.16Å; S368-R437 PolarHBondContact O-NH1 2.88Å; S368-R437 PolarHBondContact O-NH2 3.28Å; E413-R437 CarbonylContact O-C 3.54Å; E413-R437 WeakPolarHBondContact O-CA 3.36Å |
| 438 | G | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.5 | 115 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S360 W409 N410 E413 | S360-G438 VanDerWaalsContact CB-O 3.28Å; S360-G438 WeakPolarHBondContact CB-O 3.45Å; S360-G438 PolarHBondContact OG-O 3.02Å; W409-G438 VanDerWaalsContact CH2-O 3.31Å; W409-G438 WeakPolarHBondContact CH2-O 3.38Å; W409-G438 VanDerWaalsContact CZ2-CA 3.44Å; W409-G438 VanDerWaalsContact CZ2-O 3.26Å; W409-G438 WeakPolarHBondContact CZ2-O 3.3Å; N410-G438 VanDerWaalsContact O-CA 3.24Å; N410-G438 WeakPolarHBondContact O-CA 3.34Å; E413-G438 PolarHBondContact O-N 2.78Å |
| 439 | V | 97.8 | Very high | 97.6 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.1 | 179.7 | -55.2 | 0 | 0 | 0 | 0 | 112 | W409 N410 E413 L415 T441 | W409-V439 VanDerWaalsContact CE3-C 3.5Å; N410-V439 HydrophobicContact CB-CG2 4.11Å; N410-V439 PolarHBondContact N-O 2.82Å; N410-V439 PolarHBondContact O-N 3.22Å; E413-V439 HydrophobicContact CB-CG2 3.79Å; E413-V439 HydrophobicContact CG-CG2 3.7Å; L415-V439 HydrophobicContact CB-CG1 3.7Å; V439-T441 PolarHBondContact O-N 3.37Å |
| 440 | P | 98.1 | Very high | 97.7 | Very high | 20 Ų | 20 | 34.6 Ų | 34.6 | 13% | 0.13 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 121.5 | 170.3 | 31.7 | -32.4 | 0 | 0 | 0 | 110 | S95 V407 W409 V443 L451 | S95-P440 WeakPolarHBondContact O-CG 3.46Å; V407-P440 HydrophobicContact CG1-CB 3.68Å; W409-P440 HydrophobicContact CE3-CB 4.24Å; W409-P440 HydrophobicContact CZ3-CB 4.27Å; W409-P440 HydrophobicContact CZ3-CG 4.38Å; P440-V443 HydrophobicContact CB-CG2 3.78Å; P440-L451 HydrophobicContact CB-CD2 4.37Å; P440-L451 HydrophobicContact CG-CD2 4.27Å |
| 441 | T | 97.4 | Very high | 97.8 | Very high | 33 Ų | 33 | 34.8 Ų | 34.8 | 20% | 0.202 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -34.6 | 173.9 | 52.6 | 0 | 0 | 0 | 0 | 112 | I408 N410 V439 | I408-T441 PolarHBondContact O-N 2.64Å; I408-T441 PolarHBondContact O-OG1 2.98Å; N410-T441 HydrophobicContact CB-CG2 3.57Å; V439-T441 PolarHBondContact O-N 3.37Å |
| 442 | V | 98.6 | Very high | 97.7 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 136.3 | 173.9 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | L55 V407 I408 I444 V449 L451 E452 | L55-V442 HydrophobicContact CD1-CG1 4.19Å; L55-V442 HydrophobicContact CD2-CG1 4.49Å; V407-V442 WeakPolarHBondContact CA-O 3.46Å; I408-V442 HydrophobicContact CB-CB 3.93Å; I408-V442 HydrophobicContact CB-CG2 4.37Å; I408-V442 HydrophobicContact CD1-CB 3.86Å; I408-V442 HydrophobicContact CD1-CG1 4.29Å; I408-V442 HydrophobicContact CD1-CG2 4.02Å; I408-V442 HydrophobicContact CG1-CB 4Å; I408-V442 PolarHBondContact N-O 2.88Å; I408-V442 PolarHBondContact O-N 3.47Å; V442-I444 HydrophobicContact CG1-CG1 4.31Å; V442-V449 HydrophobicContact CG1-CG1 3.94Å; V442-L451 CarbonylContact C-O 3.35Å; V442-L451 VanDerWaalsContact CA-O 3.23Å; V442-L451 WeakPolarHBondContact CA-O 3.28Å; V442-L451 WeakPolarHBondContact CG1-O 3.45Å; V442-E452 HydrophobicContact CG2-CG 4.38Å |
| 443 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.1 | 173.9 | -177.3 | 0 | 0 | 0 | 0 | 109 | L94 T99 V407 P440 V450 L451 | L94-V443 HydrophobicContact CD2-CG1 4.09Å; L94-V443 WeakPolarHBondContact O-CG2 3.45Å; T99-V443 HydrophobicContact CG2-CG1 3.81Å; V407-V443 HydrophobicContact CG1-CG2 4.38Å; V407-V443 HydrophobicContact CG2-CG1 4.35Å; V407-V443 HydrophobicContact CG2-CG2 4.24Å; P440-V443 HydrophobicContact CB-CG2 3.78Å; V443-V450 HydrophobicContact CB-CG2 4.1Å; V443-V450 HydrophobicContact CG1-CG2 3.91Å; V443-V450 VanDerWaalsContact O-CG2 3.31Å; V443-V450 WeakPolarHBondContact O-CG2 3.34Å; V443-V450 PolarHBondContact O-N 2.68Å; V443-L451 HydrophobicContact CB-CB 3.79Å; V443-L451 HydrophobicContact CG2-CB 3.97Å; V443-L451 HydrophobicContact CG2-CD2 3.78Å; V443-L451 HydrophobicContact CG2-CG 4.5Å; V443-L451 PolarHBondContact N-O 2.66Å; V443-L451 PolarHBondContact O-N 3.35Å |
| 444 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.2 | 177.7 | -52.1 | 175 | 0 | 0 | 0 | 107.2 | L14 I16 I34 L55 A404 D405 I406 V442 R448 V449 | L14-I444 HydrophobicContact CD1-CD1 4.17Å; L14-I444 HydrophobicContact CD1-CG2 3.98Å; I16-I444 HydrophobicContact CD1-CD1 3.66Å; I16-I444 HydrophobicContact CG1-CD1 4.06Å; I34-I444 HydrophobicContact CD1-CD1 3.99Å; I34-I444 HydrophobicContact CD1-CG2 4.45Å; L55-I444 HydrophobicContact CD1-CD1 3.63Å; L55-I444 HydrophobicContact CD1-CG1 4.3Å; A404-I444 WeakPolarHBondContact O-CG2 3.33Å; D405-I444 CarbonylContact C-O 3.55Å; D405-I444 VanDerWaalsContact CA-O 3.29Å; D405-I444 WeakPolarHBondContact CA-O 3.35Å; I406-I444 HydrophobicContact CB-CB 4.36Å; I406-I444 HydrophobicContact CB-CD1 4.38Å; I406-I444 PolarHBondContact N-O 2.74Å; I406-I444 PolarHBondContact O-N 3.38Å; V442-I444 HydrophobicContact CG1-CG1 4.31Å; I444-R448 CarbonylContact C-O 3.52Å; I444-R448 VanDerWaalsContact CA-O 3.24Å; I444-R448 WeakPolarHBondContact CA-O 3.19Å; I444-V449 HydrophobicContact CG1-CG2 4.42Å |
| 445 | S | 98.1 | Very high | 96.7 | Very high | 13 Ų | 13 | 44 Ų | 44 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 123.5 | 178.1 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | G447 R448 | S445-G447 PolarHBondContact O-N 3.49Å; S445-R448 PolarHBondContact N-O 3.2Å; S445-R448 PolarHBondContact O-N 3.16Å |
| 446 | G | 95.6 | Very high | 96.6 | Very high | 21 Ų | 21 | 39.4 Ų | 39.4 | 22% | 0.216 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 30.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G37 D405 R448 | G37-G446 VanDerWaalsContact CA-O 3.25Å; G37-G446 WeakPolarHBondContact CA-O 3.35Å; D405-G446 PolarHBondContact OD1-N 3.46Å; G446-R448 VanDerWaalsContact C-N 3.33Å |
| 447 | G | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 12.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | L14 A404 S445 | L14-G447 WeakPolarHBondContact CD1-O 3.23Å; A404-G447 PolarHBondContact O-N 2.78Å; S445-G447 PolarHBondContact O-N 3.49Å |
| 448 | R | 96.8 | Very high | 96.3 | Very high | 138 Ų | 138 | 41.3 Ų | 41.3 | 52% | 0.521 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 137.4 | 174.4 | -61.5 | -178.5 | -172.8 | 129.8 | 2.7 | 110.3 | D12 I444 S445 G446 V450 | D12-R448 WeakPolarHBondContact OD2-CG 3.48Å; D12-R448 IonicContact OD2-CZ 3.8Å; D12-R448 IonicContact OD2-NE 2.66Å; D12-R448 PolarHBondContact OD2-NE 2.94Å; D12-R448 IonicContact OD2-NH2 2.76Å; I444-R448 CarbonylContact C-O 3.52Å; I444-R448 VanDerWaalsContact CA-O 3.24Å; I444-R448 WeakPolarHBondContact CA-O 3.19Å; S445-R448 PolarHBondContact N-O 3.2Å; S445-R448 PolarHBondContact O-N 3.16Å; G446-R448 VanDerWaalsContact C-N 3.33Å; R448-V450 PolarHBondContact O-N 3.4Å |
| 449 | V | 97.8 | Very high | 96.1 | Very high | 29 Ų | 29 | 46 Ų | 46 | 18% | 0.176 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 113.9 | 172.2 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | L14 L55 V442 I444 E452 | L14-V449 HydrophobicContact CD1-CG2 3.78Å; L14-V449 HydrophobicContact CD2-CG2 4.12Å; L55-V449 HydrophobicContact CD1-CG2 3.86Å; L55-V449 HydrophobicContact CD2-CG2 4.17Å; V442-V449 HydrophobicContact CG1-CG1 3.94Å; I444-V449 HydrophobicContact CG1-CG2 4.42Å; V449-E452 HydrophobicContact CG1-CB 3.77Å |
| 450 | V | 98 | Very high | 96.1 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 7% | 0.067 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -23.5 | 180 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | L94 V443 R448 L456 N457 V458 | L94-V450 HydrophobicContact CB-CG2 4.39Å; L94-V450 HydrophobicContact CD1-CB 4.48Å; L94-V450 HydrophobicContact CD1-CG2 4.13Å; L94-V450 HydrophobicContact CD2-CG2 3.95Å; L94-V450 HydrophobicContact CG-CG2 4.39Å; V443-V450 HydrophobicContact CB-CG2 4.1Å; V443-V450 HydrophobicContact CG1-CG2 3.91Å; V443-V450 VanDerWaalsContact O-CG2 3.31Å; V443-V450 WeakPolarHBondContact O-CG2 3.34Å; V443-V450 PolarHBondContact O-N 2.68Å; R448-V450 PolarHBondContact O-N 3.4Å; V450-L456 CarbonylContact O-C 3.55Å; V450-L456 WeakPolarHBondContact O-CA 3.4Å; V450-L456 WeakPolarHBondContact O-CD1 3.26Å; V450-N457 PolarHBondContact O-N 2.83Å; V450-V458 HydrophobicContact CB-CG1 4.1Å; V450-V458 HydrophobicContact CG1-CG1 4.49Å |
| 451 | L | 98.1 | Very high | 96.1 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.6 | 169.6 | -177.5 | 70.8 | 0 | 0 | 0 | 108.5 | P440 V442 V443 Q455 L456 | P440-L451 HydrophobicContact CB-CD2 4.37Å; P440-L451 HydrophobicContact CG-CD2 4.27Å; V442-L451 CarbonylContact C-O 3.35Å; V442-L451 VanDerWaalsContact CA-O 3.23Å; V442-L451 WeakPolarHBondContact CA-O 3.28Å; V442-L451 WeakPolarHBondContact CG1-O 3.45Å; V443-L451 HydrophobicContact CB-CB 3.79Å; V443-L451 HydrophobicContact CG2-CB 3.97Å; V443-L451 HydrophobicContact CG2-CD2 3.78Å; V443-L451 HydrophobicContact CG2-CG 4.5Å; V443-L451 PolarHBondContact N-O 2.66Å; V443-L451 PolarHBondContact O-N 3.35Å; L451-Q455 WeakPolarHBondContact CA-O 3.45Å; L451-L456 HydrophobicContact CB-CD1 4.01Å; L451-L456 HydrophobicContact CD1-CB 4.16Å; L451-L456 HydrophobicContact CD1-CD1 3.96Å |
| 452 | E | 96.3 | Very high | 96 | Very high | 54 Ų | 54 | 50.4 Ų | 50.4 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 134.8 | 172 | -175.3 | 174 | -131.7 | 0 | 0 | 108.3 | K53 L55 V442 V449 G454 Q455 | K53-E452 VanDerWaalsContact NZ-CD 3.31Å; K53-E452 IonicContact NZ-OE1 3.75Å; K53-E452 PolarHBondContact NZ-OE1 3.17Å; K53-E452 VanDerWaalsContact NZ-OE1 3.14Å; K53-E452 IonicContact NZ-OE2 3.94Å; K53-E452 PolarHBondContact NZ-OE2 2.99Å; L55-E452 WeakPolarHBondContact CD2-OE1 3.44Å; V442-E452 HydrophobicContact CG2-CG 4.38Å; V449-E452 HydrophobicContact CG1-CB 3.77Å; E452-G454 PolarHBondContact O-N 3.17Å; E452-Q455 PolarHBondContact N-O 3.41Å; E452-Q455 WeakPolarHBondContact O-CB 3.47Å; E452-Q455 PolarHBondContact O-N 2.96Å |
| 453 | D | 88.8 | Confident | 96 | Very high | 144 Ų | 144 | 50.1 Ų | 50.1 | 77% | 0.77 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37.5 | 179.8 | -58.9 | -35 | 0 | 0 | 0 | 114.1 | Q455 | D453-Q455 PolarHBondContact O-N 2.87Š|
| 454 | G | 89.7 | Confident | 95.9 | Very high | 63 Ų | 63 | 55.2 Ų | 55.2 | 65% | 0.649 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 5.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E452 | E452-G454 PolarHBondContact O-N 3.17Š|
| 455 | Q | 94.1 | Very high | 95.9 | Very high | 131 Ų | 131 | 56.9 Ų | 56.9 | 61% | 0.612 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 118.8 | 177 | -61.1 | -59.4 | -51.5 | 0 | 0 | 110.4 | L451 E452 D453 | L451-Q455 WeakPolarHBondContact CA-O 3.45Å; E452-Q455 PolarHBondContact N-O 3.41Å; E452-Q455 WeakPolarHBondContact O-CB 3.47Å; E452-Q455 PolarHBondContact O-N 2.96Å; D453-Q455 PolarHBondContact O-N 2.87Å |
| 456 | L | 95.6 | Very high | 95.9 | Very high | 33 Ų | 33 | 56.4 Ų | 56.4 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 114.3 | -178.9 | -167.5 | 71 | 0 | 0 | 0 | 110.8 | K91 L94 V450 L451 V458 | K91-L456 HydrophobicContact CB-CD2 4.45Å; K91-L456 HydrophobicContact CD-CD2 4.09Å; K91-L456 HydrophobicContact CG-CD2 3.24Å; K91-L456 HydrophobicContact CG-CG 4.41Å; K91-L456 WeakPolarHBondContact O-CD2 3.24Å; L94-L456 HydrophobicContact CB-CD1 4.25Å; V450-L456 CarbonylContact O-C 3.55Å; V450-L456 WeakPolarHBondContact O-CA 3.4Å; V450-L456 WeakPolarHBondContact O-CD1 3.26Å; L451-L456 HydrophobicContact CB-CD1 4.01Å; L451-L456 HydrophobicContact CD1-CB 4.16Å; L451-L456 HydrophobicContact CD1-CD1 3.96Å; L456-V458 HydrophobicContact CD1-CG1 4.04Å; L456-V458 HydrophobicContact CG-CG1 3.98Å |
| 457 | N | 95.1 | Very high | 96.1 | Very high | 113 Ų | 113 | 58.3 Ų | 58.3 | 60% | 0.604 | 32% | 0.323 | S | S | * | . | trans | -115.3 | 80.4 | -178.7 | -65.1 | -49.5 | 0 | 0 | 0 | 109.9 | V450 | V450-N457 PolarHBondContact O-N 2.83Š| ||
| 458 | V | 94.6 | Very high | 96.2 | Very high | 26 Ų | 26 | 58.3 Ų | 58.3 | 16% | 0.158 | 32% | 0.323 | C | S | . | . | trans | -105.5 | 154.9 | 179.3 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | Y87 K91 L94 C129 V450 L456 | Y87-V458 HydrophobicContact CE2-CG2 4.47Å; K91-V458 HydrophobicContact CB-CG2 4.44Å; K91-V458 HydrophobicContact CD-CG2 4.29Å; K91-V458 HydrophobicContact CG-CG2 3.97Å; L94-V458 HydrophobicContact CD1-CG1 3.52Å; C129-V458 HydrophobicContact CB-CB 3.99Å; C129-V458 HydrophobicContact CB-CG1 4.2Å; C129-V458 HydrophobicContact CB-CG2 4.5Å; V450-V458 HydrophobicContact CB-CG1 4.1Å; V450-V458 HydrophobicContact CG1-CG1 4.49Å; L456-V458 HydrophobicContact CD1-CG1 4.04Å; L456-V458 HydrophobicContact CG-CG1 3.98Å | ||
| 459 | T | 94.9 | Very high | 96.2 | Very high | 98 Ų | 98 | 59.8 Ų | 59.8 | 60% | 0.601 | 33% | 0.334 | S | S | * | . | trans | -117.1 | 125 | 172.2 | -58.6 | 0 | 0 | 0 | 0 | 108.5 | G461 S462 | T459-G461 PolarHBondContact O-N 3.02Å; T459-S462 WeakPolarHBondContact O-CB 3.47Å; T459-S462 PolarHBondContact O-N 3.45Å; T459-S462 VanDerWaalsContact O-N 3.15Å; T459-S462 PolarHBondContact O-OG 2.51Å | ||
| 460 | E | 97.3 | Very high | 96.2 | Very high | 94 Ų | 94 | 59.6 Ų | 59.6 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 133.6 | 174.5 | -170.8 | 171.5 | -161.8 | 0 | 0 | 110.2 | Y87 Q126 R127 S462 | Y87-E460 HydrophobicContact CD2-CB 3.68Å; Y87-E460 HydrophobicContact CD2-CG 3.62Å; Y87-E460 HydrophobicContact CE2-CB 3.8Å; Y87-E460 HydrophobicContact CE2-CG 4.23Å; Y87-E460 HydrophobicContact CG-CG 4.19Å; Q126-E460 WeakPolarHBondContact O-CG 3.42Å; R127-E460 HydrophobicContact CB-CG 4.42Å; R127-E460 IonicContact CZ-OE1 3.74Å; R127-E460 IonicContact NE-OE1 2.68Å; R127-E460 PolarHBondContact NE-OE1 3.26Å; R127-E460 IonicContact NH2-OE1 3.35Å; E460-S462 VanDerWaalsContact C-N 3.28Å; E460-S462 PolarHBondContact O-N 3.17Å |
| 461 | G | 97 | Very high | 96.3 | Very high | 28 Ų | 28 | 62.3 Ų | 62.3 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 14.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | E125 Q126 A128 T459 G463 | E125-G461 WeakPolarHBondContact O-CA 3.05Å; Q126-G461 WeakPolarHBondContact O-CA 3.39Å; Q126-G461 PolarHBondContact O-N 3.1Å; A128-G461 CarbonylContact O-C 3.6Å; A128-G461 VanDerWaalsContact O-CA 3.3Å; A128-G461 WeakPolarHBondContact O-CA 3.38Å; A128-G461 PolarHBondContact O-N 2.99Å; A128-G461 VanDerWaalsContact O-N 3.13Å; T459-G461 PolarHBondContact O-N 3.02Å; G461-G463 VanDerWaalsContact C-N 3.34Å |
| 462 | S | 96.4 | Very high | 96.2 | Very high | 40 Ų | 40 | 61.9 Ų | 61.9 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | trans | -79.3 | -18.3 | 174.9 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | A128 C129 T459 E460 | A128-S462 PolarHBondContact O-N 3.37Å; A128-S462 VanDerWaalsContact O-N 3.12Å; C129-S462 PolarHBondContact O-OG 2.9Å; T459-S462 WeakPolarHBondContact O-CB 3.47Å; T459-S462 PolarHBondContact O-N 3.45Å; T459-S462 VanDerWaalsContact O-N 3.15Å; T459-S462 PolarHBondContact O-OG 2.51Å; E460-S462 VanDerWaalsContact C-N 3.28Å; E460-S462 PolarHBondContact O-N 3.17Å | ||
| 463 | G | 97.1 | Very high | 96.2 | Very high | 7 Ų | 7 | 63 Ų | 63 | 7% | 0.072 | 35% | 0.352 | C | S | . | . | trans | -68.9 | 147.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A128 C130 G461 | A128-G463 PolarHBondContact O-N 3.07Å; C130-G463 VanDerWaalsContact C-CA 3.47Å; C130-G463 WeakPolarHBondContact O-CA 3.33Å; G461-G463 VanDerWaalsContact C-N 3.34Å | ||
| 464 | R | 98 | Very high | 96.5 | Very high | 106 Ų | 106 | 59.5 Ų | 59.5 | 40% | 0.4 | 34% | 0.335 | S | S | . | . | trans | -117.2 | 144.1 | -179.9 | -52.9 | 166.1 | -62.4 | 175.3 | 4.5 | 111 | D131 F132 D403 I466 | D131-R464 WeakPolarHBondContact CA-O 3.46Å; D131-R464 VanDerWaalsContact OD1-CB 3.27Å; D131-R464 WeakPolarHBondContact OD1-CB 3.4Å; D131-R464 IonicContact OD1-CZ 3.16Å; D131-R464 PolarHBondContact OD1-N 3.21Å; D131-R464 IonicContact OD1-NE 3.18Å; D131-R464 PolarHBondContact OD1-NE 3.06Å; D131-R464 IonicContact OD1-NH2 2.85Å; D131-R464 IonicContact OD2-CZ 3.46Å; D131-R464 IonicContact OD2-NE 3Å; D131-R464 IonicContact OD2-NH2 3.53Å; D131-R464 PolarHBondContact OD2-NH2 3.19Å; F132-R464 PolarHBondContact N-O 3.35Å; D403-R464 IonicContact OD2-NH2 2.85Å; D403-R464 PolarHBondContact OD2-NH2 3.1Å; R464-I466 PolarHBondContact O-N 2.95Å | ||
| 465 | F | 98.8 | Very high | 96.8 | Very high | 36 Ų | 36 | 56.5 Ų | 56.5 | 16% | 0.158 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -66.3 | 127.4 | 169.7 | 178.5 | -110.3 | 0 | 0 | 0 | 111.2 | F117 K121 F132 F134 K156 A467 | F117-F465 HydrophobicContact CE2-CE2 4.21Å; F117-F465 AromaticContact CE2-CZ 3.94Å; F117-F465 HydrophobicContact CE2-CZ 3.94Å; F117-F465 HydrophobicContact CZ-CE1 4.25Å; F117-F465 HydrophobicContact CZ-CE2 4.33Å; F117-F465 AromaticContact CZ-CZ 3.82Å; F117-F465 HydrophobicContact CZ-CZ 3.82Å; K121-F465 HydrophobicContact CD-CD1 4.41Å; K121-F465 HydrophobicContact CD-CG 4.42Å; F132-F465 HydrophobicContact CD2-CD2 4.1Å; F132-F465 HydrophobicContact CE2-CB 3.91Å; F132-F465 AromaticContact CE2-CD2 3.83Å; F132-F465 HydrophobicContact CE2-CD2 3.83Å; F132-F465 HydrophobicContact CE2-CG 4.35Å; F132-F465 HydrophobicContact CZ-CB 3.95Å; F132-F465 CarbonylContact O-C 3.5Å; F132-F465 WeakPolarHBondContact O-CA 3.26Å; F134-F465 HydrophobicContact CD2-CD2 4.03Å; F134-F465 AromaticContact CD2-CE2 3.58Å; F134-F465 HydrophobicContact CD2-CE2 3.58Å; F134-F465 AromaticContact CE2-CD2 3.96Å; F134-F465 HydrophobicContact CE2-CD2 3.96Å; F134-F465 HydrophobicContact CE2-CE2 4Å; F134-F465 HydrophobicContact CG-CE2 4.45Å; K156-F465 WeakPolarHBondContact O-CE1 3.38Å; K156-F465 WeakPolarHBondContact O-CZ 3.28Å; F465-A467 HydrophobicContact CD1-CB 4.44Å; F465-A467 HydrophobicContact CE1-CB 3.93Å |
| 466 | I | 98.7 | Very high | 97 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | trans | -100.4 | 100.9 | 175.8 | -52 | -60.1 | 0 | 0 | 0 | 108.8 | D131 F132 S133 M391 R464 | D131-I466 HydrophobicContact CB-CD1 3.99Å; D131-I466 HydrophobicContact CB-CG1 3.88Å; F132-I466 PolarHBondContact O-N 3.31Å; S133-I466 WeakPolarHBondContact CB-O 3.4Å; S133-I466 PolarHBondContact OG-O 3.48Å; M391-I466 HydrophobicContact CG-CG2 3.88Å; M391-I466 HydrophobicContact SD-CB 4.18Å; M391-I466 HydrophobicContact SD-CG2 3.62Å; R464-I466 PolarHBondContact O-N 2.95Å | ||
| 467 | A | 98.4 | Very high | 97.1 | Very high | 61 Ų | 61 | 54.9 Ų | 54.9 | 50% | 0.504 | 29% | 0.294 | S | S | . | . | trans | -68.6 | 131.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F465 | F465-A467 HydrophobicContact CD1-CB 4.44Å; F465-A467 HydrophobicContact CE1-CB 3.93Å | ||
| 468 | R | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | trans | -115 | 122.3 | -174.5 | -58 | 173.6 | -61.6 | 151 | 16.2 | 110 | S133 F134 G157 N159 S160 F389 M391 | S133-R468 VanDerWaalsContact OG-CD 3.31Å; S133-R468 WeakPolarHBondContact OG-CD 3.21Å; S133-R468 PolarHBondContact OG-NE 3.36Å; F134-R468 PolarHBondContact O-NH2 2.61Å; G157-R468 CarbonylContact C-O 3.55Å; G157-R468 VanDerWaalsContact C-O 3.27Å; G157-R468 WeakPolarHBondContact CA-O 3.28Å; G157-R468 WeakPolarHBondContact O-CB 3.48Å; G157-R468 PolarHBondContact O-N 3.44Å; N159-R468 WeakPolarHBondContact ND2-CB 3.47Å; N159-R468 VanDerWaalsContact OD1-CZ 3.23Å; N159-R468 PolarHBondContact OD1-NH1 3.01Å; N159-R468 PolarHBondContact OD1-NH2 3.48Å; S160-R468 PolarHBondContact OG-NH1 2.91Å; S160-R468 VanDerWaalsContact OG-NH1 3.08Å; S160-R468 PolarHBondContact OG-NH2 3.41Å; F389-R468 WeakPolarHBondContact O-CB 3.36Å; F389-R468 VanDerWaalsContact O-CD 3.3Å; F389-R468 WeakPolarHBondContact O-CD 3.45Å; F389-R468 WeakPolarHBondContact O-CG 3.35Å; M391-R468 HydrophobicContact CG-CG 3.92Å; M391-R468 HydrophobicContact SD-CG 4.25Å | ||
| 469 | K | 98 | Very high | 97.1 | Very high | 169 Ų | 169 | 53.3 Ų | 53.3 | 74% | 0.735 | 28% | 0.277 | S | S | * | . | trans | -73.1 | 148.6 | -179.8 | -66.1 | -178.3 | -178.9 | 179 | 0 | 110.9 | N159 N390 | N159-K469 PolarHBondContact ND2-O 3.07Å; N390-K469 PolarHBondContact ND2-O 2.94Å | ||
| 470 | A | 98 | Very high | 97.1 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 21% | 0.207 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -62.2 | 166.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V153 L188 | V153-A470 HydrophobicContact CG1-CB 3.57Å; L188-A470 WeakPolarHBondContact O-CB 3.42Å |
| 471 | F | 98.2 | Very high | 97 | Very high | 68 Ų | 68 | 52.7 Ų | 52.7 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 54.9 | 56.3 | 179.1 | -56.5 | -82.7 | 0 | 0 | 0 | 114.5 | D187 L188 G189 D473 Y476 | D187-F471 WeakPolarHBondContact O-CZ 3.49Å; L188-F471 WeakPolarHBondContact O-CE2 3.31Å; G189-F471 VanDerWaalsContact CA-CD1 3.46Å; G189-F471 PolarHBondContact O-N 2.9Å; F471-D473 PolarHBondContact O-N 3.1Å; F471-D473 VanDerWaalsContact O-N 3.12Å; F471-Y476 HydrophobicContact CB-CG 4.39Å; F471-Y476 AromaticContact CD1-CD1 3.66Å; F471-Y476 HydrophobicContact CD1-CD1 3.66Å; F471-Y476 HydrophobicContact CD1-CE1 4Å; F471-Y476 AromaticContact CD1-CG 3.96Å; F471-Y476 HydrophobicContact CD1-CG 3.96Å; F471-Y476 HydrophobicContact CE1-CD1 4.22Å; F471-Y476 HydrophobicContact CE1-CE1 4.23Å |
| 472 | P | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -52.2 | 121.4 | 172.5 | 12.3 | -22.2 | 0 | 0 | 0 | 110.8 | I191 V388 N390 T474 V475 Y476 | I191-P472 HydrophobicContact CD1-CG 4.01Å; I191-P472 HydrophobicContact CG1-CG 4.36Å; V388-P472 WeakPolarHBondContact O-CB 3.47Å; V388-P472 WeakPolarHBondContact O-CG 3.05Å; N390-P472 HydrophobicContact CB-CB 3.92Å; P472-T474 VanDerWaalsContact C-N 3.27Å; P472-T474 PolarHBondContact O-N 2.85Å; P472-V475 HydrophobicContact CB-CB 4.31Å; P472-V475 HydrophobicContact CB-CG2 4.13Å; P472-V475 HydrophobicContact CG-CB 4.02Å; P472-V475 HydrophobicContact CG-CG2 4.01Å; P472-V475 PolarHBondContact O-N 3.33Å; P472-Y476 HydrophobicContact CG-CD2 4.11Å; P472-Y476 HydrophobicContact CG-CE2 4.5Å; P472-Y476 PolarHBondContact O-N 3.38Å | ||
| 473 | D | 95.9 | Very high | 96.4 | Very high | 79 Ų | 79 | 56.3 Ų | 56.3 | 42% | 0.422 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.5 | -40.5 | -172.6 | -105.4 | 8.8 | 0 | 0 | 0 | 112.5 | F471 V475 K477 | F471-D473 PolarHBondContact O-N 3.1Å; F471-D473 VanDerWaalsContact O-N 3.12Å; D473-V475 PolarHBondContact O-N 2.83Å; D473-K477 HydrophobicContact CB-CD 4.25Å; D473-K477 VanDerWaalsContact O-CB 3.3Å; D473-K477 WeakPolarHBondContact O-CB 3.36Å; D473-K477 WeakPolarHBondContact O-CD 3.35Å; D473-K477 VanDerWaalsContact O-CG 3.22Å; D473-K477 WeakPolarHBondContact O-CG 3.38Å; D473-K477 PolarHBondContact O-N 3.07Å; D473-K477 WeakPolarHBondContact OD2-CE 3.15Å; D473-K477 IonicContact OD2-NZ 2.8Å; D473-K477 PolarHBondContact OD2-NZ 2.66Å |
| 474 | T | 94.5 | Very high | 95.9 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 43% | 0.429 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.2 | -29.8 | 177.1 | -55.7 | 0 | 0 | 0 | 0 | 112.6 | Y272 K387 P472 | Y272-T474 PolarHBondContact OH-O 2.62Å; K387-T474 HydrophobicContact CB-CG2 4.12Å; P472-T474 VanDerWaalsContact C-N 3.27Å; P472-T474 PolarHBondContact O-N 2.85Å |
| 475 | V | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -97.7 | -51.6 | -177.2 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | I191 P246 V270 Y272 P472 D473 | I191-V475 HydrophobicContact CD1-CG1 4.46Å; I191-V475 HydrophobicContact CD1-CG2 3.97Å; I191-V475 HydrophobicContact CG1-CG1 4.4Å; P246-V475 HydrophobicContact CB-CG1 3.22Å; P246-V475 HydrophobicContact CG-CG1 3.59Å; V270-V475 HydrophobicContact CG1-CG1 4.3Å; Y272-V475 HydrophobicContact CE2-CG1 4.26Å; Y272-V475 HydrophobicContact CE2-CG2 4.13Å; P472-V475 HydrophobicContact CB-CB 4.31Å; P472-V475 HydrophobicContact CB-CG2 4.13Å; P472-V475 HydrophobicContact CG-CB 4.02Å; P472-V475 HydrophobicContact CG-CG2 4.01Å; P472-V475 PolarHBondContact O-N 3.33Å; D473-V475 PolarHBondContact O-N 2.83Å |
| 476 | Y | 98.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 69 Ų | 69 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -86.2 | -17 | -165.5 | -90 | -89 | 0 | 0 | 0 | 115.5 | L185 R186 G189 A190 P246 F471 P472 R478 I479 R480 | L185-Y476 PolarHBondContact O-OH 3.21Å; R186-Y476 WeakPolarHBondContact CA-OH 3.42Å; R186-Y476 WeakPolarHBondContact O-CE1 3.31Å; G189-Y476 VanDerWaalsContact C-CE2 3.47Å; G189-Y476 VanDerWaalsContact C-CZ 3.4Å; G189-Y476 VanDerWaalsContact C-OH 3.23Å; G189-Y476 VanDerWaalsContact CA-CZ 3.42Å; G189-Y476 WeakPolarHBondContact CA-OH 3.24Å; G189-Y476 VanDerWaalsContact O-CE2 3.29Å; G189-Y476 WeakPolarHBondContact O-CE2 3.13Å; A190-Y476 PolarHBondContact N-OH 2.64Å; A190-Y476 PolarHBondContact O-OH 2.87Å; P246-Y476 HydrophobicContact CG-CE2 3.8Å; F471-Y476 HydrophobicContact CB-CG 4.39Å; F471-Y476 AromaticContact CD1-CD1 3.66Å; F471-Y476 HydrophobicContact CD1-CD1 3.66Å; F471-Y476 HydrophobicContact CD1-CE1 4Å; F471-Y476 AromaticContact CD1-CG 3.96Å; F471-Y476 HydrophobicContact CD1-CG 3.96Å; F471-Y476 HydrophobicContact CE1-CD1 4.22Å; F471-Y476 HydrophobicContact CE1-CE1 4.23Å; P472-Y476 HydrophobicContact CG-CD2 4.11Å; P472-Y476 HydrophobicContact CG-CE2 4.5Å; P472-Y476 PolarHBondContact O-N 3.38Å; Y476-R478 VanDerWaalsContact C-N 3.29Å; Y476-R478 PolarHBondContact O-N 3.17Å; Y476-I479 HydrophobicContact CD1-CB 4.12Å; Y476-I479 HydrophobicContact CD1-CG2 4.12Å; Y476-I479 HydrophobicContact CE1-CG2 4.19Å; Y476-I479 PolarHBondContact O-N 2.99Å; Y476-R480 WeakPolarHBondContact O-CB 3.45Å; Y476-R480 WeakPolarHBondContact O-CG 3.43Å; Y476-R480 PolarHBondContact O-N 3.07Å |
| 477 | K | 96.8 | Very high | 93.6 | Very high | 127 Ų | 127 | 75 Ų | 75 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -56 | -44.3 | 174.8 | -81.9 | 174.3 | 174.3 | 156.8 | 0 | 111.9 | D473 A481 | D473-K477 HydrophobicContact CB-CD 4.25Å; D473-K477 VanDerWaalsContact O-CB 3.3Å; D473-K477 WeakPolarHBondContact O-CB 3.36Å; D473-K477 WeakPolarHBondContact O-CD 3.35Å; D473-K477 VanDerWaalsContact O-CG 3.22Å; D473-K477 WeakPolarHBondContact O-CG 3.38Å; D473-K477 PolarHBondContact O-N 3.07Å; D473-K477 WeakPolarHBondContact OD2-CE 3.15Å; D473-K477 IonicContact OD2-NZ 2.8Å; D473-K477 PolarHBondContact OD2-NZ 2.66Å; K477-A481 PolarHBondContact O-N 2.79Å |
| 478 | R | 95.2 | Very high | 92.9 | Very high | 100 Ų | 100 | 77 Ų | 77 | 38% | 0.377 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.5 | -39.5 | 177.9 | -67.1 | -171.6 | -65.5 | 168.3 | 0.4 | 112.5 | V270 Y476 A481 R482 | V270-R478 HydrophobicContact CG2-CB 4.18Å; Y476-R478 VanDerWaalsContact C-N 3.29Å; Y476-R478 PolarHBondContact O-N 3.17Å; R478-A481 PolarHBondContact O-N 3.26Å; R478-R482 VanDerWaalsContact O-CG 3.31Å; R478-R482 WeakPolarHBondContact O-CG 3.47Å; R478-R482 PolarHBondContact O-N 2.62Å |
| 479 | I | 96.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 86.6 Ų | 86.6 | 3% | 0.026 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 177.8 | -62.3 | -62.9 | 0 | 0 | 0 | 110.8 | R186 N244 P246 V270 Y476 A481 R482 S483 | R186-I479 HydrophobicContact CG-CG2 4.14Å; N244-I479 PolarHBondContact ND2-O 3.41Å; N244-I479 WeakPolarHBondContact O-CG2 3.49Å; P246-I479 HydrophobicContact CB-CD1 4.47Å; P246-I479 HydrophobicContact CB-CG1 4.44Å; P246-I479 HydrophobicContact CG-CG1 4.48Å; V270-I479 HydrophobicContact CB-CD1 3.88Å; V270-I479 HydrophobicContact CG1-CD1 4.26Å; V270-I479 HydrophobicContact CG2-CD1 3.7Å; V270-I479 HydrophobicContact CG2-CG1 4.36Å; Y476-I479 HydrophobicContact CD1-CB 4.12Å; Y476-I479 HydrophobicContact CD1-CG2 4.12Å; Y476-I479 HydrophobicContact CE1-CG2 4.19Å; Y476-I479 PolarHBondContact O-N 2.99Å; I479-A481 VanDerWaalsContact C-N 3.33Å; I479-A481 PolarHBondContact O-N 2.97Å; I479-R482 WeakPolarHBondContact O-CB 3.34Å; I479-R482 PolarHBondContact O-N 3.4Å; I479-R482 VanDerWaalsContact O-N 3.13Å; I479-S483 PolarHBondContact O-N 2.99Å; I479-S483 PolarHBondContact O-OG 3.39Å |
| 480 | R | 94.8 | Very high | 91.9 | Very high | 121 Ų | 121 | 82 Ų | 82 | 46% | 0.457 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 177.9 | -71.8 | 176.6 | 177.1 | 175.7 | -0.3 | 112.4 | Y476 R482 K484 | Y476-R480 WeakPolarHBondContact O-CB 3.45Å; Y476-R480 WeakPolarHBondContact O-CG 3.43Å; Y476-R480 PolarHBondContact O-N 3.07Å; R480-R482 VanDerWaalsContact C-N 3.34Å; R480-K484 WeakPolarHBondContact O-CG 3.48Å; R480-K484 PolarHBondContact O-N 3.25Å |
| 481 | A | 93.3 | Very high | 91.8 | Very high | 59 Ų | 59 | 85.2 Ų | 85.2 | 49% | 0.488 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | K477 R478 I479 | K477-A481 PolarHBondContact O-N 2.79Å; R478-A481 PolarHBondContact O-N 3.26Å; I479-A481 VanDerWaalsContact C-N 3.33Å; I479-A481 PolarHBondContact O-N 2.97Å |
| 482 | R | 91.7 | Very high | 91.5 | Very high | 84 Ų | 84 | 88.1 Ų | 88.1 | 32% | 0.317 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 176.2 | -73.5 | 168.4 | -170.7 | -155.5 | -6.9 | 112.9 | G268 R478 I479 R480 K484 M485 A486 | G268-R482 PolarHBondContact O-NH1 2.75Å; G268-R482 PolarHBondContact O-NH2 3.11Å; R478-R482 VanDerWaalsContact O-CG 3.31Å; R478-R482 WeakPolarHBondContact O-CG 3.47Å; R478-R482 PolarHBondContact O-N 2.62Å; I479-R482 WeakPolarHBondContact O-CB 3.34Å; I479-R482 PolarHBondContact O-N 3.4Å; I479-R482 VanDerWaalsContact O-N 3.13Å; R480-R482 VanDerWaalsContact C-N 3.34Å; R482-K484 PolarHBondContact O-N 2.91Å; R482-M485 PolarHBondContact O-N 3.25Å; R482-A486 WeakPolarHBondContact O-CB 3.39Å; R482-A486 PolarHBondContact O-N 3.03Å |
| 483 | S | 89.3 | Confident | 91.3 | Very high | 59 Ų | 59 | 97.7 Ų | 97.7 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.1 | -37.4 | -179.8 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | N244 I479 M485 A486 | N244-S483 PolarHBondContact ND2-OG 3.31Å; I479-S483 PolarHBondContact O-N 2.99Å; I479-S483 PolarHBondContact O-OG 3.39Å; S483-M485 VanDerWaalsContact C-N 3.3Å; S483-M485 PolarHBondContact O-N 3.01Å; S483-A486 PolarHBondContact O-N 3.37Å |
| 484 | K | 87.9 | Confident | 91.1 | Very high | 178 Ų | 178 | 97.3 Ų | 97.3 | 77% | 0.774 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.7 | -29.9 | 176.3 | -69.3 | 179.4 | -179.3 | -174.3 | 0 | 113.7 | R480 R482 | R480-K484 WeakPolarHBondContact O-CG 3.48Å; R480-K484 PolarHBondContact O-N 3.25Å; R482-K484 PolarHBondContact O-N 2.91Å |
| 485 | M | 84.6 | Confident | 90.9 | Very high | 161 Ų | 161 | 101.5 Ų | 101.5 | 79% | 0.793 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -89.3 | -18.3 | -178.8 | -70.4 | -55.6 | -42.1 | 0 | 0 | 113.6 | R482 S483 E487 | R482-M485 PolarHBondContact O-N 3.25Å; S483-M485 VanDerWaalsContact C-N 3.3Å; S483-M485 PolarHBondContact O-N 3.01Å; M485-E487 VanDerWaalsContact C-N 3.29Å; M485-E487 PolarHBondContact O-N 3.16Å |
| 486 | A | 81.3 | Confident | 90.8 | Very high | 76 Ų | 76 | 109.4 Ų | 109.4 | 63% | 0.628 | 58% | 0.58 | S | S | * | * | trans | -88 | 18.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R482 S483 A488 | R482-A486 WeakPolarHBondContact O-CB 3.39Å; R482-A486 PolarHBondContact O-N 3.03Å; S483-A486 PolarHBondContact O-N 3.37Å; A486-A488 PolarHBondContact O-N 3.1Å | ||
| 487 | E | 80.8 | Confident | 90.5 | Very high | 130 Ų | 130 | 117.1 Ų | 117.1 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | trans | -61.2 | 110.9 | 179.8 | -169.4 | -174.2 | -148.9 | 0 | 0 | 110.6 | M485 R489 | M485-E487 VanDerWaalsContact C-N 3.29Å; M485-E487 PolarHBondContact O-N 3.16Å; E487-R489 PolarHBondContact O-N 3.18Å; E487-R489 IonicContact OE2-CZ 2.76Å; E487-R489 IonicContact OE2-NE 3.28Å; E487-R489 PolarHBondContact OE2-NE 3.26Å; E487-R489 IonicContact OE2-NH2 2.79Å; E487-R489 PolarHBondContact OE2-NH2 3.09Å | ||
| 488 | A | 83.1 | Confident | 90.3 | Very high | 101 Ų | 101 | 112.4 Ų | 112.4 | 84% | 0.835 | 61% | 0.609 | S | S | * | * | trans | -70 | 125.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | A486 | A486-A488 PolarHBondContact O-N 3.1Š| ||
| 489 | R | 87.1 | Confident | 90.1 | Very high | 203 Ų | 203 | 113.3 Ų | 113.3 | 77% | 0.766 | 63% | 0.628 | S | S | * | * | trans | -116.4 | 117.3 | 178.3 | -64.9 | -178.3 | -178.4 | -179.9 | 0.7 | 109.8 | E487 | E487-R489 PolarHBondContact O-N 3.18Å; E487-R489 IonicContact OE2-CZ 2.76Å; E487-R489 IonicContact OE2-NE 3.28Å; E487-R489 PolarHBondContact OE2-NE 3.26Å; E487-R489 IonicContact OE2-NH2 2.79Å; E487-R489 PolarHBondContact OE2-NH2 3.09Å | ||
| 490 | G | 90.2 | Very high | 89.7 | Confident | 72 Ų | 72 | 118.8 Ų | 118.8 | 74% | 0.742 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 141.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110 | P492 | G490-P492 WeakPolarHBondContact O-CD 3.26Š|
| 491 | V | 94.2 | Very high | 89.4 | Confident | 94 Ų | 94 | 121.4 Ų | 121.4 | 57% | 0.57 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 120.3 | 169.1 | 179.2 | 0 | 0 | 0 | 0 | 107.3 | R493 | V491-R493 HydrophobicContact CG1-CG 4.28Å; V491-R493 PolarHBondContact O-N 3Å; V491-R493 VanDerWaalsContact O-N 3.15Å |
| 492 | P | 91.6 | Very high | 88.9 | Confident | 128 Ų | 128 | 126.5 Ų | 126.5 | 83% | 0.831 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.1 | 173.7 | 27.2 | -32.4 | 0 | 0 | 0 | 108.3 | G490 | G490-P492 WeakPolarHBondContact O-CD 3.26Š|
| 493 | R | 94.1 | Very high | 88.3 | Confident | 201 Ų | 201 | 128.5 Ų | 128.5 | 76% | 0.758 | 72% | 0.719 | S | S | * | * | trans | -118.9 | 148.7 | 174.9 | -64.1 | -172.5 | -179 | 92.3 | -3.5 | 108.5 | V491 | V491-R493 HydrophobicContact CG1-CG 4.28Å; V491-R493 PolarHBondContact O-N 3Å; V491-R493 VanDerWaalsContact O-N 3.15Å | ||
| 494 | G | 92 | Very high | 87.5 | Confident | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 159.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y496 | G494-Y496 PolarHBondContact O-N 3.45Š|
| 495 | N | 91.3 | Very high | 86.3 | Confident | 159 Ų | 159 | 128.6 Ų | 128.6 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 136 | 170.5 | -68.6 | -17.6 | 0 | 0 | 0 | 108.9 | D497 | N495-D497 PolarHBondContact O-N 3.17Š|
| 496 | Y | 93.2 | Very high | 85.1 | Confident | 166 Ų | 166 | 127.7 Ų | 127.7 | 65% | 0.651 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 123.7 | 172.6 | 175.2 | -103.3 | 0 | 0 | 0 | 109.5 | G494 G498 P499 V500 | G494-Y496 PolarHBondContact O-N 3.45Å; Y496-G498 WeakPolarHBondContact CE1-O 3.33Å; Y496-G498 VanDerWaalsContact CZ-CA 3.42Å; Y496-G498 WeakPolarHBondContact OH-CA 3.39Å; Y496-P499 WeakPolarHBondContact CE1-O 3.28Å; Y496-P499 PolarHBondContact OH-O 3.3Å; Y496-V500 HydrophobicContact CD1-CG2 4.09Å; Y496-V500 HydrophobicContact CE1-CG2 3.77Å |
| 497 | D | 91.8 | Very high | 83.6 | Confident | 164 Ų | 164 | 129.2 Ų | 129.2 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | trans | -111.4 | 2.3 | -174.9 | 53.2 | -17.3 | 0 | 0 | 0 | 113 | N495 | N495-D497 PolarHBondContact O-N 3.17Š| ||
| 498 | G | 92.6 | Very high | 82.3 | Confident | 28 Ų | 28 | 133.1 Ų | 133.1 | 29% | 0.289 | 75% | 0.748 | S | S | . | * | S | Bend | trans | -79.6 | 172.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y496 | Y496-G498 WeakPolarHBondContact CE1-O 3.33Å; Y496-G498 VanDerWaalsContact CZ-CA 3.42Å; Y496-G498 WeakPolarHBondContact OH-CA 3.39Å |
| 499 | P | 90.3 | Very high | 80.4 | Confident | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | -64.4 | 145.4 | 176.4 | 27.8 | -34.1 | 0 | 0 | 0 | 111.6 | Y496 | Y496-P499 WeakPolarHBondContact CE1-O 3.28Å; Y496-P499 PolarHBondContact OH-O 3.3Å | ||
| 500 | V | 89.5 | Confident | 78.6 | Confident | 120 Ų | 120 | 130.6 Ų | 130.6 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -118.9 | 132.7 | 171.6 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | Y496 | Y496-V500 HydrophobicContact CD1-CG2 4.09Å; Y496-V500 HydrophobicContact CE1-CG2 3.77Å | ||
| 501 | H | 87.8 | Confident | 76.2 | Confident | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | trans | -72.2 | 137 | 174.2 | -84.3 | -71.4 | 0 | 0 | 0 | 110.9 | V503 | H501-V503 PolarHBondContact O-N 2.93Å; H501-V503 VanDerWaalsContact O-N 3.13Å | ||
| 502 | D | 83.1 | Confident | 73.7 | Confident | 166 Ų | 166 | 134 Ų | 134 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -65.3 | 112.5 | 172.1 | -73.8 | -32.6 | 0 | 0 | 0 | 110.1 | ||||
| 503 | V | 79.7 | Confident | 71.2 | Confident | 126 Ų | 126 | 134.1 Ų | 134.1 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | -90.4 | 116.3 | 169.3 | -175.4 | 0 | 0 | 0 | 0 | 107.2 | H501 S505 | H501-V503 PolarHBondContact O-N 2.93Å; H501-V503 VanDerWaalsContact O-N 3.13Å; V503-S505 VanDerWaalsContact C-N 3.27Å; V503-S505 PolarHBondContact O-N 2.73Å | ||
| 504 | I | 72.4 | Confident | 68.6 | Low | 156 Ų | 156 | 129.9 Ų | 129.9 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | trans | -67 | 92.6 | 170.3 | -58.6 | 174.2 | 0 | 0 | 0 | 107.3 | V506 | I504-V506 PolarHBondContact O-N 3.25Š| ||
| 505 | S | 62.5 | Low | 66.2 | Low | 82 Ų | 82 | 133.4 Ų | 133.4 | 57% | 0.573 | 76% | 0.764 | S | S | * | * | trans | -73.3 | 105.9 | 177.1 | -167.3 | 0 | 0 | 0 | 0 | 108.9 | V503 T507 | V503-S505 VanDerWaalsContact C-N 3.27Å; V503-S505 PolarHBondContact O-N 2.73Å; S505-T507 PolarHBondContact O-N 2.99Å; S505-T507 PolarHBondContact OG-OG1 3.15Å | ||
| 506 | V | 57.7 | Low | 63.6 | Low | 143 Ų | 143 | 132.3 Ų | 132.3 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -76.9 | 72.8 | 167.5 | -166.4 | 0 | 0 | 0 | 0 | 107.9 | I504 | I504-V506 PolarHBondContact O-N 3.25Š| ||
| 507 | T | 51.5 | Low | 60.8 | Low | 108 Ų | 108 | 136.5 Ų | 136.5 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | trans | -129.7 | 120.9 | 171.6 | 37.6 | 0 | 0 | 0 | 0 | 110.2 | S505 S509 | S505-T507 PolarHBondContact O-N 2.99Å; S505-T507 PolarHBondContact OG-OG1 3.15Å; T507-S509 PolarHBondContact O-N 3.33Å | ||
| 508 | K | 52.2 | Low | 57.9 | Low | 212 Ų | 212 | 132 Ų | 132 | 92% | 0.922 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -51 | 121.9 | 173.1 | -78.5 | 174.4 | 173.7 | 174.9 | 0 | 109.6 | V510 | K508-V510 PolarHBondContact O-N 3.26Š|
| 509 | S | 43.5 | Very low | 55.3 | Low | 118 Ų | 118 | 137.1 Ų | 137.1 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -61 | 119.9 | 174 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | T507 | T507-S509 PolarHBondContact O-N 3.33Š|
| 510 | V | 48.7 | Very low | 52.8 | Low | 132 Ų | 132 | 138.4 Ų | 138.4 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 126 | 158.1 | 179.3 | 0 | 0 | 0 | 0 | 106.8 | K508 | K508-V510 PolarHBondContact O-N 3.26Š|
| 511 | P | 41.3 | Very low | 49.9 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76 | 142.6 | -174.3 | 26.6 | -28.8 | 0 | 0 | 0 | 112 | ||
| 512 | P | 41.3 | Very low | 47 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 143.6 | 179.5 | 30.2 | -31.9 | 0 | 0 | 0 | 112.2 | ||
| 513 | T | 38.4 | Very low | 44.6 | Very low | 132 Ų | 132 | 136 Ų | 136 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 129.6 | 175.1 | -37.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 514 | P | 40.5 | Very low | 42.3 | Very low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81 | 126.3 | -178 | 29.1 | -30.4 | 0 | 0 | 0 | 111.6 | ||
| 515 | T | 40.3 | Very low | 40.9 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 122.3 | 158 | 46.4 | 0 | 0 | 0 | 0 | 108 | ||
| 516 | T | 36.6 | Very low | 39.8 | Very low | 136 Ų | 136 | 137 Ų | 137 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | -129.7 | 119.9 | 174.4 | -23 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 517 | R | 35.6 | Very low | 38.8 | Very low | 254 Ų | 254 | 133.4 Ų | 133.4 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | -98.4 | 124.3 | 170.3 | -106.2 | -174.9 | 179.6 | -175.3 | 1.2 | 109.6 | ||||
| 518 | G | 30.5 | Very low | 38.3 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | 115.7 | 153.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 519 | P | 37.6 | Very low | 37.7 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | cis | -123.5 | -169 | -21.6 | 35.1 | -15.2 | 0 | 0 | 0 | 113.4 | ||||
| 520 | T | 38.5 | Very low | 37.6 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | trans | -67.4 | 149.4 | -162.5 | 46 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 521 | G | 27.4 | Very low | 37.3 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | 125 | 131.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 522 | T | 28.5 | Very low | 37.5 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | cis | -158.5 | 145.6 | 12.5 | 31.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 523 | K | 32.1 | Very low | 37.4 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 85% | 0.848 | 83% | 0.828 | S | S | * | * | trans | 2.8 | 118.3 | 162.2 | -61.2 | 178.5 | 178.6 | 179.1 | 0 | 122.1 | ||||
| 524 | T | 32 | Very low | 37.5 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | 25.6 | 153.6 | 129.7 | 39.5 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 525 | P | 42.6 | Very low | 37.4 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | cis | -146.7 | 173.2 | 40.3 | 37.5 | -13.9 | 0 | 0 | 0 | 120.5 | ||||
| 526 | T | 39.3 | Very low | 37.1 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | trans | -46.8 | 144.2 | 174.5 | 48.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 527 | G | 36.2 | Very low | 37.3 | Very low | 68 Ų | 68 | 144.6 Ų | 144.6 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | trans | -161.6 | 146.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 528 | P | 40.1 | Very low | 37.6 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 138.5 | -169.5 | 31.8 | -32.7 | 0 | 0 | 0 | 112.6 | ||
| 529 | R | 41.5 | Very low | 38.2 | Very low | 245 Ų | 245 | 142 Ų | 142 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 127.2 | 172.1 | -85.2 | -177.2 | -173.8 | 151.8 | 2.2 | 110.4 | ||
| 530 | N | 41.2 | Very low | 38.7 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 128.1 | 177.2 | -163.7 | -27 | 0 | 0 | 0 | 109.9 | H532 | N530-H532 PolarHBondContact O-N 3.47Š|
| 531 | L | 42 | Very low | 39.4 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -96.6 | 24.9 | -166.8 | -138.7 | 102.4 | 0 | 0 | 0 | 114.4 | ||
| 532 | H | 45.3 | Very low | 41.1 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -133 | 38.2 | -174.1 | -78.6 | -70.5 | 0 | 0 | 0 | 115.6 | N530 | N530-H532 PolarHBondContact O-N 3.47Š| ||
| 533 | Q | 38.9 | Very low | 42.1 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -142.9 | 100.9 | 165.7 | -73.5 | -171.2 | -10.3 | 0 | 0 | 111.6 | ||||
| 534 | S | 40.8 | Very low | 43.3 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -169.9 | 96.1 | 141.3 | -178.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 535 | G | 38.1 | Very low | 44.9 | Very low | 68 Ų | 68 | 135.5 Ų | 135.5 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -72.1 | 145.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 536 | F | 34.3 | Very low | 45.6 | Very low | 202 Ų | 202 | 138.4 Ų | 138.4 | 89% | 0.886 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 126.1 | 173.8 | -115.9 | -99.6 | 0 | 0 | 0 | 110.2 | ||||
| 537 | T | 40.6 | Very low | 46.9 | Very low | 132 Ų | 132 | 138 Ų | 138 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -138.3 | 120.4 | 164.9 | -38.9 | 0 | 0 | 0 | 0 | 109.6 | A539 | T537-A539 PolarHBondContact O-N 3.05Š| ||
| 538 | L | 41.3 | Very low | 47.9 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -90.4 | 89.7 | 175.7 | -98.6 | 147.3 | 0 | 0 | 0 | 109.6 | ||||
| 539 | A | 44.6 | Very low | 48.5 | Very low | 98 Ų | 98 | 146 Ų | 146 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -154.1 | 97.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | T537 | T537-A539 PolarHBondContact O-N 3.05Š| ||
| 540 | G | 47.1 | Very low | 48.7 | Very low | 69 Ų | 69 | 146.1 Ų | 146.1 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -162.2 | 140.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 541 | A | 53.9 | Low | 48.9 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -55.2 | 141.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 542 | Q | 62.1 | Low | 48.9 | Very low | 140 Ų | 140 | 142 Ų | 142 | 65% | 0.654 | 79% | 0.79 | S | S | * | * | trans | -89.8 | 152.6 | 179.6 | -68.3 | -173 | -33.4 | 0 | 0 | 110.6 | D544 D545 | Q542-D544 WeakPolarHBondContact CB-OD1 3.39Å; Q542-D544 PolarHBondContact O-N 3.17Å; Q542-D545 PolarHBondContact N-OD2 3.5Å; Q542-D545 WeakPolarHBondContact O-CB 3.45Å; Q542-D545 PolarHBondContact O-N 2.99Å; Q542-D545 VanDerWaalsContact O-N 3.17Å | ||
| 543 | I | 50.4 | Low | 48.7 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -10.5 | -165.5 | -124.4 | 157 | 0 | 0 | 0 | 113.5 | ||
| 544 | D | 57.7 | Low | 48.8 | Very low | 93 Ų | 93 | 145.1 Ų | 145.1 | 50% | 0.497 | 79% | 0.794 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113 | 2.7 | -173.8 | 47.7 | -27.1 | 0 | 0 | 0 | 113.8 | Q542 H546 I547 | Q542-D544 WeakPolarHBondContact CB-OD1 3.39Å; Q542-D544 PolarHBondContact O-N 3.17Å; D544-H546 PolarHBondContact O-N 3.43Å; D544-I547 HydrophobicContact CB-CD1 4.34Å; D544-I547 PolarHBondContact O-N 3.2Å |
| 545 | D | 64.9 | Low | 48.8 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 56% | 0.561 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -7.6 | 177.9 | -76.9 | -26.7 | 0 | 0 | 0 | 114.1 | Q542 | Q542-D545 PolarHBondContact N-OD2 3.5Å; Q542-D545 WeakPolarHBondContact O-CB 3.45Å; Q542-D545 PolarHBondContact O-N 2.99Å; Q542-D545 VanDerWaalsContact O-N 3.17Å |
| 546 | H | 57.8 | Low | 48.9 | Very low | 181 Ų | 181 | 149.3 Ų | 149.3 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 6.9 | 179.1 | -65.2 | -43 | 0 | 0 | 0 | 114.9 | D544 | D544-H546 PolarHBondContact O-N 3.43Š|
| 547 | I | 66.3 | Low | 49.5 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -97.6 | 117.4 | -179.4 | -54.5 | 177.9 | 0 | 0 | 0 | 110.3 | D544 R549 | D544-I547 HydrophobicContact CB-CD1 4.34Å; D544-I547 PolarHBondContact O-N 3.2Å; I547-R549 PolarHBondContact O-N 3Å |
| 548 | P | 56.1 | Low | 49.8 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 126.2 | 177.4 | -16.3 | 28.6 | 0 | 0 | 0 | 111.5 | R550 | P548-R550 PolarHBondContact O-N 2.92Š|
| 549 | R | 54.3 | Low | 49.9 | Very low | 252 Ų | 252 | 141.1 Ų | 141.1 | 95% | 0.951 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 118.3 | 175.7 | -70 | -175.4 | 177.3 | -172.8 | -0.7 | 110.6 | I547 | I547-R549 PolarHBondContact O-N 3Š|
| 550 | R | 45.8 | Very low | 49.7 | Very low | 248 Ų | 248 | 139.8 Ų | 139.8 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 135.9 | 169.3 | -86.2 | -175.4 | 175.5 | -179.2 | -0.5 | 110.6 | P548 | P548-R550 PolarHBondContact O-N 2.92Š|
| 551 | S | 45.3 | Very low | 49.2 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 138 | 171.3 | 38.2 | 0 | 0 | 0 | 0 | 111.4 | Q553 | S551-Q553 PolarHBondContact O-N 3.44Š|
| 552 | A | 40.9 | Very low | 48.4 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 123.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 553 | Q | 40.3 | Very low | 47.4 | Very low | 184 Ų | 184 | 145.8 Ų | 145.8 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 121.9 | 164.7 | -87.5 | -180 | -31.5 | 0 | 0 | 109.6 | S551 I555 | S551-Q553 PolarHBondContact O-N 3.44Å; Q553-I555 PolarHBondContact O-N 3.34Å |
| 554 | R | 41.5 | Very low | 46.8 | Very low | 239 Ų | 239 | 144.2 Ų | 144.2 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -78.8 | 108.6 | 174.8 | -162.7 | -179.5 | -169.4 | -178.9 | 3.1 | 108.4 | ||||
| 555 | I | 41.7 | Very low | 45.7 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 80% | 0.795 | 80% | 0.8 | S | S | * | * | trans | -87.6 | 117.4 | 174.1 | -64.4 | 170.9 | 0 | 0 | 0 | 108.5 | Q553 | Q553-I555 PolarHBondContact O-N 3.34Š| ||
| 556 | V | 39.6 | Very low | 44.6 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 75% | 0.745 | 82% | 0.815 | S | S | * | * | trans | -99.3 | 128.5 | 170.8 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 557 | A | 46.7 | Very low | 43.6 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 65% | 0.645 | 81% | 0.806 | S | S | * | * | trans | 76.3 | 101.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 558 | P | 46.7 | Very low | 42.2 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -80.7 | 137.1 | 158.5 | 30.9 | -29 | 0 | 0 | 0 | 110.8 | G560 | P558-G560 PolarHBondContact O-N 3.27Š| ||
| 559 | P | 44.3 | Very low | 41.3 | Very low | 136 Ų | 136 | 150.1 Ų | 150.1 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | trans | -76.9 | 96 | 179.6 | 28.5 | -30 | 0 | 0 | 0 | 111 | ||||
| 560 | G | 40.2 | Very low | 40.7 | Very low | 70 Ų | 70 | 145.1 Ų | 145.1 | 72% | 0.722 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 117.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | P558 R562 | P558-G560 PolarHBondContact O-N 3.27Å; G560-R562 PolarHBondContact O-N 3.36Å |
| 561 | G | 36.3 | Very low | 40.4 | Very low | 76 Ų | 76 | 139.6 Ų | 139.6 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 126.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 562 | R | 36.7 | Very low | 40.2 | Very low | 233 Ų | 233 | 141 Ų | 141 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 124.7 | 171.9 | -70.6 | 175.7 | 171.4 | 174.4 | -4.2 | 109.6 | G560 | G560-R562 PolarHBondContact O-N 3.36Š|
| 563 | S | 41.1 | Very low | 40.1 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 85% | 0.846 | 83% | 0.834 | S | S | * | * | trans | -106.5 | 113.8 | 159.4 | -60.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 564 | N | 38.5 | Very low | 40.1 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | trans | -78.3 | 127.7 | 179.3 | -79.5 | -20.9 | 0 | 0 | 0 | 110.4 | ||||
| 565 | I | 35.5 | Very low | 40 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 80% | 0.795 | 83% | 0.827 | S | S | * | * | trans | -71.5 | 129.2 | 158.2 | -72.4 | 166.2 | 0 | 0 | 0 | 107.7 | ||||
| 566 | T | 41.1 | Very low | 39.9 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 87% | 0.865 | 83% | 0.83 | S | S | * | * | trans | -123.7 | 113.9 | 159.4 | 27 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 567 | S | 37.2 | Very low | 39.9 | Very low | 94 Ų | 94 | 133.2 Ų | 133.2 | 66% | 0.657 | 84% | 0.836 | S | S | * | * | trans | -118.5 | 127.9 | 159.2 | 47.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 568 | L | 36.8 | Very low | 39.3 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 86% | 0.864 | 85% | 0.852 | S | S | * | * | trans | 157.4 | 106.2 | 130.8 | -84.7 | 160.1 | 0 | 0 | 0 | 110.9 | ||||
| 569 | S | 37.7 | Very low | 38.7 | Very low | 195 Ų | 195 | 139.4 Ų | 139.4 | 100% | 1.364 | 86% | 0.859 | S | S | * | * | -150.1 | 0 | 129.7 | -64.7 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 569 of 569 residues in 1290.7 ms
(Link to these results)