| 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 | 34.3 | Very low | 38.1 | Very low | 256 Ų | 256 | 122.5 Ų | 122.5 | 100% | 1.261 | 69% | 0.694 | S | S | * | * | 0 | 92.3 | 0 | -58.8 | -171.5 | -151.8 | 0 | 0 | 106.2 | |||||
| 2 | A | 30.8 | Very low | 39.2 | Very low | 95 Ų | 95 | 117.8 Ų | 117.8 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | trans | -122.9 | 130.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3 | N | 32.1 | Very low | 40.1 | Very low | 156 Ų | 156 | 109.4 Ų | 109.4 | 83% | 0.834 | 62% | 0.619 | S | S | * | * | trans | 47.9 | 84.7 | 160.9 | -75.5 | -4.5 | 0 | 0 | 0 | 117.7 | A5 | N3-A5 PolarHBondContact O-N 3.2Š| ||
| 4 | E | 35.5 | Very low | 41.3 | Very low | 187 Ų | 187 | 106.1 Ų | 106.1 | 87% | 0.874 | 60% | 0.6 | S | S | * | * | trans | -71.3 | 75.7 | 141.8 | -70.5 | -173.5 | 169.3 | 0 | 0 | 108.4 | K6 | E4-K6 VanDerWaalsContact C-N 3.27Å; E4-K6 PolarHBondContact O-N 2.79Å | ||
| 5 | A | 39.4 | Very low | 43.2 | Very low | 83 Ų | 83 | 100.9 Ų | 100.9 | 69% | 0.686 | 57% | 0.567 | S | S | * | * | trans | -64.9 | 94.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | N3 P7 | N3-A5 PolarHBondContact O-N 3.2Å; A5-P7 WeakPolarHBondContact O-CD 3.3Å; A5-P7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | K | 35.5 | Very low | 44.5 | Very low | 183 Ų | 183 | 99.6 Ų | 99.6 | 80% | 0.796 | 57% | 0.566 | S | S | * | * | trans | -61.4 | 111.8 | 163.1 | -72.9 | -176.6 | 179.1 | -179.3 | 0 | 106.4 | E4 C8 | E4-K6 VanDerWaalsContact C-N 3.27Å; E4-K6 PolarHBondContact O-N 2.79Å; K6-C8 PolarHBondContact O-N 2.8Å | ||
| 7 | P | 37.5 | Very low | 46 | Very low | 113 Ų | 113 | 102.3 Ų | 102.3 | 73% | 0.734 | 58% | 0.578 | S | S | * | * | trans | -65.1 | 129.1 | 171 | 7.6 | 4.3 | 0 | 0 | 0 | 106.9 | A5 P9 | A5-P7 WeakPolarHBondContact O-CD 3.3Å; A5-P7 VanDerWaalsContact O-N 3.16Å; P7-P9 WeakPolarHBondContact O-CD 3.14Å; P7-P9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | C | 43.3 | Very low | 47.7 | Very low | 54 Ų | 54 | 99.9 Ų | 99.9 | 37% | 0.365 | 56% | 0.559 | S | S | . | * | trans | -47.4 | 122.1 | 159.6 | 164 | 0 | 0 | 0 | 0 | 106.9 | K6 C10 W91 | K6-C8 PolarHBondContact O-N 2.8Å; C8-C10 WeakPolarHBondContact CB-SG 3.41Å; C8-C10 PolarHBondContact O-N 2.95Å; C8-C10 WeakPolarHBondContact SG-CB 3.44Å; C8-C10 PolarHBondContact SG-N 3.02Å; C8-C10 VanDerWaalsContact SG-N 3.42Å; C8-C10 CovalentContact SG-SG 2.07Å; C8-C10 PolarHBondContact SG-SG 2.87Å; C8-W91 HydrophobicContact CB-CZ2 4.32Å | ||
| 9 | P | 38.8 | Very low | 49.1 | Very low | 70 Ų | 70 | 98.7 Ų | 98.7 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | trans | -77.5 | 57.6 | 172.4 | 33.3 | -32.3 | 0 | 0 | 0 | 107.8 | P7 D11 | P7-P9 WeakPolarHBondContact O-CD 3.14Å; P7-P9 VanDerWaalsContact O-N 3.15Å; P9-D11 PolarHBondContact O-N 2.96Å | ||
| 10 | C | 47.2 | Very low | 50.7 | Low | 24 Ų | 24 | 94.8 Ų | 94.8 | 16% | 0.162 | 55% | 0.553 | C | S | . | * | trans | -84.3 | 76.2 | 160.8 | 17.7 | 0 | 0 | 0 | 0 | 105.2 | C8 I12 | C8-C10 WeakPolarHBondContact CB-SG 3.41Å; C8-C10 PolarHBondContact O-N 2.95Å; C8-C10 WeakPolarHBondContact SG-CB 3.44Å; C8-C10 PolarHBondContact SG-N 3.02Å; C8-C10 VanDerWaalsContact SG-N 3.42Å; C8-C10 CovalentContact SG-SG 2.07Å; C8-C10 PolarHBondContact SG-SG 2.87Å; C10-I12 HydrophobicContact CB-CG1 4.46Å; C10-I12 WeakPolarHBondContact O-CG1 3.49Å; C10-I12 PolarHBondContact O-N 2.8Å | ||
| 11 | D | 44.9 | Very low | 52.5 | Low | 127 Ų | 127 | 96.9 Ų | 96.9 | 68% | 0.679 | 56% | 0.562 | S | S | * | * | trans | -67.8 | 87.2 | 171 | -141.8 | 3.7 | 0 | 0 | 0 | 106 | P9 G13 | P9-D11 PolarHBondContact O-N 2.96Å; D11-G13 VanDerWaalsContact C-N 3.34Å; D11-G13 PolarHBondContact O-N 3.37Å | ||
| 12 | I | 50.8 | Low | 55.3 | Low | 66 Ų | 66 | 86.1 Ų | 86.1 | 34% | 0.338 | 52% | 0.516 | S | S | . | . | trans | -74.3 | 95.7 | -177.6 | -48.8 | -177.1 | 0 | 0 | 0 | 105.8 | C10 D14 P87 | C10-I12 HydrophobicContact CB-CG1 4.46Å; C10-I12 WeakPolarHBondContact O-CG1 3.49Å; C10-I12 PolarHBondContact O-N 2.8Å; I12-D14 HydrophobicContact CG2-CB 3.47Å; I12-D14 VanDerWaalsContact CG2-CB 3.47Å; I12-D14 VanDerWaalsContact CG2-CG 3.5Å; I12-D14 PolarHBondContact O-N 3.48Å; I12-P87 HydrophobicContact CD1-CG 4.3Å | ||
| 13 | G | 51 | Low | 58.4 | Low | 8 Ų | 8 | 87.1 Ų | 87.1 | 8% | 0.082 | 50% | 0.504 | C | S | . | . | trans | -71.9 | 66.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | D11 R217 R219 | D11-G13 VanDerWaalsContact C-N 3.34Å; D11-G13 PolarHBondContact O-N 3.37Å; G13-R217 CarbonylContact C-O 3.59Å; G13-R217 PolarHBondContact N-O 2.79Å; G13-R217 VanDerWaalsContact O-O 3.08Å; G13-R219 WeakPolarHBondContact O-CD 3.5Å; G13-R219 WeakPolarHBondContact O-CG 3.3Å | ||
| 14 | D | 57.6 | Low | 61.6 | Low | 64 Ų | 64 | 84.4 Ų | 84.4 | 34% | 0.342 | 49% | 0.487 | S | S | . | . | trans | -64.5 | 139.9 | -164.7 | -144.2 | -22.4 | 0 | 0 | 0 | 111 | I12 S16 N58 R219 | I12-D14 HydrophobicContact CG2-CB 3.47Å; I12-D14 VanDerWaalsContact CG2-CB 3.47Å; I12-D14 VanDerWaalsContact CG2-CG 3.5Å; I12-D14 PolarHBondContact O-N 3.48Å; D14-S16 PolarHBondContact O-N 3.4Å; D14-N58 PolarHBondContact OD1-OD1 2.9Å; D14-R219 WeakPolarHBondContact O-CD 3.35Å | ||
| 15 | R | 69.9 | Low | 64.5 | Low | 28 Ų | 28 | 76.9 Ų | 76.9 | 11% | 0.106 | 45% | 0.453 | C | S | . | . | trans | -96.2 | 45.7 | 170.2 | -70 | -175.5 | 179.8 | -105.3 | -0.1 | 109.3 | D17 Y18 P57 N58 R219 E220 | R15-D17 PolarHBondContact O-N 3.32Å; R15-Y18 VanDerWaalsContact O-CB 3.27Å; R15-Y18 WeakPolarHBondContact O-CB 3.32Å; R15-Y18 PolarHBondContact O-N 3.03Å; R15-P57 HydrophobicContact CB-CB 4.33Å; R15-P57 WeakPolarHBondContact O-CB 3.25Å; R15-N58 PolarHBondContact N-OD1 2.81Å; R15-R219 HydrophobicContact CG-CG 3.63Å; R15-E220 IonicContact CZ-OE1 3.38Å; R15-E220 IonicContact NH2-OE1 3.2Å; R15-E220 PolarHBondContact NH2-OE1 3.37Å; R15-E220 IonicContact NH2-OE2 2.74Å; R15-E220 PolarHBondContact NH2-OE2 3.31Å | ||
| 16 | S | 63.9 | Low | 67.3 | Low | 79 Ų | 79 | 78.4 Ų | 78.4 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -30.4 | -177.3 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | D14 Y18 | D14-S16 PolarHBondContact O-N 3.4Å; S16-Y18 VanDerWaalsContact C-N 3.34Å |
| 17 | D | 70.1 | Confident | 70.3 | Confident | 146 Ų | 146 | 70 Ų | 70 | 78% | 0.781 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 0.6 | -176.9 | -51.5 | -25 | 0 | 0 | 0 | 113.4 | R15 G19 | R15-D17 PolarHBondContact O-N 3.32Å; D17-G19 PolarHBondContact O-N 3.14Å |
| 18 | Y | 76.7 | Confident | 73.2 | Confident | 60 Ų | 60 | 69.9 Ų | 69.9 | 24% | 0.235 | 40% | 0.4 | C | S | . | . | trans | -84.1 | 109.4 | -177.1 | -174.5 | -108.4 | 0 | 0 | 0 | 111.7 | R15 S16 G20 Y61 D64 | R15-Y18 VanDerWaalsContact O-CB 3.27Å; R15-Y18 WeakPolarHBondContact O-CB 3.32Å; R15-Y18 PolarHBondContact O-N 3.03Å; S16-Y18 VanDerWaalsContact C-N 3.34Å; Y18-G20 VanDerWaalsContact C-N 3.35Å; Y18-G20 PolarHBondContact O-N 3.44Å; Y18-Y61 HydrophobicContact CD2-CD2 4.48Å; Y18-Y61 HydrophobicContact CE1-CD2 4.16Å; Y18-Y61 HydrophobicContact CE2-CD2 4.04Å; Y18-Y61 AromaticContact CZ-CD2 3.85Å; Y18-D64 WeakPolarHBondContact CE1-OD2 3.45Å; Y18-D64 WeakPolarHBondContact OH-CB 3.46Å; Y18-D64 VanDerWaalsContact OH-CG 3.23Å; Y18-D64 PolarHBondContact OH-OD2 2.75Å | ||
| 19 | G | 72.8 | Confident | 75.7 | Confident | 77 Ų | 77 | 70.2 Ų | 70.2 | 79% | 0.794 | 40% | 0.396 | S | S | * | . | trans | -78.9 | -6.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | D17 | D17-G19 PolarHBondContact O-N 3.14Š| ||
| 20 | G | 81.4 | Confident | 78.5 | Confident | 20 Ų | 20 | 67 Ų | 67 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | trans | 74.6 | 158.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y18 Y33 D64 | Y18-G20 VanDerWaalsContact C-N 3.35Å; Y18-G20 PolarHBondContact O-N 3.44Å; G20-Y33 VanDerWaalsContact C-OH 3.31Å; G20-Y33 WeakPolarHBondContact CA-OH 3.44Å; G20-D64 WeakPolarHBondContact CA-OD2 3.46Å | ||
| 21 | L | 89.5 | Confident | 80.9 | Confident | 139 Ų | 139 | 70.7 Ų | 70.7 | 73% | 0.728 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -110.6 | -7.5 | 175.2 | -56.1 | 178.2 | 0 | 0 | 0 | 114 | Y33 D64 | L21-Y33 PolarHBondContact N-OH 3.46Å; L21-D64 WeakPolarHBondContact CB-OD1 3.22Å; L21-D64 HydrophobicContact CD1-CB 4.34Å; L21-D64 HydrophobicContact CG-CB 4.5Å; L21-D64 PolarHBondContact N-OD1 3.25Å; L21-D64 PolarHBondContact N-OD2 3.36Å |
| 22 | G | 92.8 | Very high | 83.5 | Confident | 29 Ų | 29 | 64.7 Ų | 64.7 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -96.7 | -161.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y33 V34 | G22-Y33 VanDerWaalsContact C-CE2 3.49Å; G22-Y33 PolarHBondContact N-OH 2.87Å; G22-V34 CarbonylContact C-O 3.55Å; G22-V34 VanDerWaalsContact CA-O 3.25Å; G22-V34 WeakPolarHBondContact CA-O 3.31Å |
| 23 | Q | 96.6 | Very high | 85.8 | Confident | 116 Ų | 116 | 61.7 Ų | 61.7 | 54% | 0.542 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 147.8 | -178.7 | 58.4 | -178.9 | -3.4 | 0 | 0 | 110.6 | V25 V34 | Q23-V25 HydrophobicContact CG-CG1 4.01Å; Q23-V34 PolarHBondContact N-O 3.28Å; Q23-V34 PolarHBondContact O-N 3.38Å |
| 24 | E | 97.9 | Very high | 88 | Confident | 99 Ų | 99 | 61.5 Ų | 61.5 | 46% | 0.463 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 134.3 | 169.1 | -61 | -174.8 | -173.9 | 0 | 0 | 110 | A32 W54 R60 | E24-A32 CarbonylContact C-O 3.52Å; E24-A32 VanDerWaalsContact CA-O 3.31Å; E24-A32 WeakPolarHBondContact CA-O 3.5Å; E24-W54 HydrophobicContact CB-CH2 4.39Å; E24-W54 HydrophobicContact CG-CH2 3.88Å; E24-W54 HydrophobicContact CG-CZ3 3.92Å; E24-R60 IonicContact OE1-CZ 2.76Å; E24-R60 VanDerWaalsContact OE1-CZ 3.24Å; E24-R60 IonicContact OE1-NH1 3.88Å; E24-R60 PolarHBondContact OE1-NH1 3.49Å; E24-R60 IonicContact OE1-NH2 3.68Å; E24-R60 PolarHBondContact OE1-NH2 2.94Å |
| 25 | V | 97.9 | Very high | 89.9 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 18% | 0.176 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 154.9 | 179.6 | -59.2 | 0 | 0 | 0 | 0 | 110.1 | Q23 I27 K31 A32 V34 | Q23-V25 HydrophobicContact CG-CG1 4.01Å; V25-I27 HydrophobicContact CG2-CD1 4.25Å; V25-I27 HydrophobicContact CG2-CG1 3.96Å; V25-K31 WeakPolarHBondContact O-CA 3.47Å; V25-A32 HydrophobicContact CG2-CB 4.21Å; V25-A32 PolarHBondContact N-O 3.47Å; V25-A32 PolarHBondContact O-N 3.41Å; V25-V34 HydrophobicContact CG2-CB 4.26Å; V25-V34 HydrophobicContact CG2-CG2 3.5Å; V25-V34 VanDerWaalsContact CG2-CG2 3.5Å |
| 26 | Q | 98.2 | Very high | 91.2 | Very high | 115 Ų | 115 | 63.1 Ų | 63.1 | 54% | 0.537 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.4 | 168.5 | -171.9 | 67.8 | 38.5 | 0 | 0 | 108.9 | E28 I30 | Q26-E28 PolarHBondContact NE2-O 2.89Å; Q26-I30 PolarHBondContact NE2-O 3.41Å |
| 27 | I | 97.8 | Very high | 92.7 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.036 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 97.7 | 173 | -55.8 | 173.9 | 0 | 0 | 0 | 107 | V25 H29 I30 A32 V74 V112 Y116 | V25-I27 HydrophobicContact CG2-CD1 4.25Å; V25-I27 HydrophobicContact CG2-CG1 3.96Å; I27-H29 PolarHBondContact O-N 3.06Å; I27-I30 HydrophobicContact CB-CD1 4.45Å; I27-I30 HydrophobicContact CB-CG1 3.96Å; I27-I30 HydrophobicContact CG2-CG1 4.45Å; I27-I30 PolarHBondContact N-O 3.24Å; I27-I30 WeakPolarHBondContact O-CG1 3.46Å; I27-I30 PolarHBondContact O-N 2.9Å; I27-A32 HydrophobicContact CD1-CB 3.66Å; I27-A32 HydrophobicContact CG1-CB 4.33Å; I27-V74 HydrophobicContact CD1-CG2 4.15Å; I27-V112 HydrophobicContact CG2-CB 4.5Å; I27-V112 HydrophobicContact CG2-CG2 4.48Å; I27-Y116 HydrophobicContact CD1-CD1 3.57Å; I27-Y116 HydrophobicContact CD1-CD2 4.19Å; I27-Y116 HydrophobicContact CD1-CE1 3.88Å; I27-Y116 HydrophobicContact CD1-CE2 4.45Å; I27-Y116 HydrophobicContact CD1-CG 3.74Å; I27-Y116 HydrophobicContact CG1-CD1 4.21Å; I27-Y116 HydrophobicContact CG1-CD2 3.9Å; I27-Y116 HydrophobicContact CG1-CE1 4.43Å; I27-Y116 HydrophobicContact CG1-CE2 4.13Å; I27-Y116 HydrophobicContact CG1-CG 3.94Å; I27-Y116 HydrophobicContact CG2-CD2 4.18Å; I27-Y116 HydrophobicContact CG2-CG 3.99Å |
| 28 | E | 97.1 | Very high | 93.7 | Very high | 110 Ų | 110 | 59.9 Ų | 59.9 | 51% | 0.514 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | -112.4 | -174.2 | -58.3 | -169.2 | -171.7 | 0 | 0 | 111.6 | Q26 V112 K115 | Q26-E28 PolarHBondContact NE2-O 2.89Å; E28-V112 HydrophobicContact CB-CG1 4.48Å; E28-V112 VanDerWaalsContact OE2-CG1 3.3Å; E28-V112 WeakPolarHBondContact OE2-CG1 3.47Å; E28-K115 IonicContact OE1-NZ 2.96Å; E28-K115 PolarHBondContact OE1-NZ 3.12Å |
| 29 | H | 96.9 | Very high | 94.4 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 29% | 0.287 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 0.4 | -179.6 | 66.9 | -76.8 | 0 | 0 | 0 | 115.2 | I27 K108 E109 | I27-H29 PolarHBondContact O-N 3.06Å; H29-K108 VanDerWaalsContact CE1-CE 3.49Å; H29-K108 WeakPolarHBondContact CE1-CE 3.45Å; H29-E109 IonicContact CD2-OE1 3.65Å; H29-E109 IonicContact CE1-OE1 3.79Å; H29-E109 IonicContact NE2-OE1 2.95Å; H29-E109 PolarHBondContact NE2-OE1 2.85Å |
| 30 | I | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 146.7 | 179.4 | 60.2 | 173.3 | 0 | 0 | 0 | 112.3 | Q26 I27 P76 V80 E109 V112 V113 | Q26-I30 PolarHBondContact NE2-O 3.41Å; I27-I30 HydrophobicContact CB-CD1 4.45Å; I27-I30 HydrophobicContact CB-CG1 3.96Å; I27-I30 HydrophobicContact CG2-CG1 4.45Å; I27-I30 PolarHBondContact N-O 3.24Å; I27-I30 WeakPolarHBondContact O-CG1 3.46Å; I27-I30 PolarHBondContact O-N 2.9Å; I30-P76 HydrophobicContact CD1-CB 4.01Å; I30-V80 HydrophobicContact CG2-CG1 4.44Å; I30-V80 HydrophobicContact CG2-CG2 4.15Å; I30-E109 HydrophobicContact CG2-CB 4.32Å; I30-E109 HydrophobicContact CG2-CG 3.62Å; I30-V112 HydrophobicContact CD1-CG2 3.7Å; I30-V112 HydrophobicContact CG1-CG2 4.06Å; I30-V113 HydrophobicContact CD1-CG2 3.42Å; I30-V113 VanDerWaalsContact CD1-CG2 3.42Å |
| 31 | K | 98.6 | Very high | 95.9 | Very high | 103 Ų | 103 | 62.5 Ų | 62.5 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 154.3 | 163.9 | -68.5 | -176.9 | 179 | -177.2 | 0 | 109.5 | V25 W54 D77 | V25-K31 WeakPolarHBondContact O-CA 3.47Å; K31-W54 HydrophobicContact CB-CH2 3.91Å; K31-W54 HydrophobicContact CB-CZ2 3.72Å; K31-W54 HydrophobicContact CD-CH2 4.43Å; K31-W54 HydrophobicContact CD-CZ2 4.01Å; K31-D77 HydrophobicContact CB-CB 4.27Å; K31-D77 WeakPolarHBondContact O-CB 3.4Å; K31-D77 PolarHBondContact O-N 3.15Å |
| 32 | A | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 149.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E24 V25 I27 V34 V74 C75 P76 | E24-A32 CarbonylContact C-O 3.52Å; E24-A32 VanDerWaalsContact CA-O 3.31Å; E24-A32 WeakPolarHBondContact CA-O 3.5Å; V25-A32 HydrophobicContact CG2-CB 4.21Å; V25-A32 PolarHBondContact N-O 3.47Å; V25-A32 PolarHBondContact O-N 3.41Å; I27-A32 HydrophobicContact CD1-CB 3.66Å; I27-A32 HydrophobicContact CG1-CB 4.33Å; A32-V34 HydrophobicContact CB-CG2 4.48Å; A32-V74 HydrophobicContact CB-CG2 3.81Å; A32-C75 WeakPolarHBondContact CA-O 3.33Å; A32-P76 HydrophobicContact CB-CB 4.35Å |
| 33 | Y | 98.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 123.2 | 165.7 | 176.6 | -106.5 | 0 | 0 | 0 | 109 | G20 L21 G22 V35 R60 A63 D64 V74 C75 | G20-Y33 VanDerWaalsContact C-OH 3.31Å; G20-Y33 WeakPolarHBondContact CA-OH 3.44Å; L21-Y33 PolarHBondContact N-OH 3.46Å; G22-Y33 VanDerWaalsContact C-CE2 3.49Å; G22-Y33 PolarHBondContact N-OH 2.87Å; Y33-V35 HydrophobicContact CD1-CG2 3.83Å; Y33-V35 HydrophobicContact CE1-CG2 3.19Å; Y33-R60 HydrophobicContact CD1-CB 4.06Å; Y33-R60 HydrophobicContact CD1-CG 3.82Å; Y33-R60 HydrophobicContact CE1-CB 3.77Å; Y33-R60 HydrophobicContact CE1-CG 4.03Å; Y33-R60 HydrophobicContact CG-CG 4.07Å; Y33-A63 HydrophobicContact CD1-CB 4.24Å; Y33-A63 HydrophobicContact CE1-CB 4.21Å; Y33-D64 PolarHBondContact OH-OD1 3.29Å; Y33-D64 PolarHBondContact OH-OD2 3.19Å; Y33-V74 CarbonylContact O-C 3.41Å; Y33-V74 WeakPolarHBondContact O-CA 3.27Å; Y33-C75 HydrophobicContact CD1-CB 4.5Å; Y33-C75 PolarHBondContact N-O 3.02Å; Y33-C75 PolarHBondContact O-N 2.97Å |
| 34 | V | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.5 | -177.3 | 174.9 | 0 | 0 | 0 | 0 | 110.2 | G22 Q23 V25 A32 A73 V74 Y116 | G22-V34 CarbonylContact C-O 3.55Å; G22-V34 VanDerWaalsContact CA-O 3.25Å; G22-V34 WeakPolarHBondContact CA-O 3.31Å; Q23-V34 PolarHBondContact N-O 3.28Å; Q23-V34 PolarHBondContact O-N 3.38Å; V25-V34 HydrophobicContact CG2-CB 4.26Å; V25-V34 HydrophobicContact CG2-CG2 3.5Å; V25-V34 VanDerWaalsContact CG2-CG2 3.5Å; A32-V34 HydrophobicContact CB-CG2 4.48Å; V34-A73 WeakPolarHBondContact CA-O 3.29Å; V34-V74 HydrophobicContact CG2-CB 4.14Å; V34-V74 HydrophobicContact CG2-CG2 3.72Å; V34-Y116 HydrophobicContact CG2-CE1 4.1Å |
| 35 | V | 98.1 | Very high | 96.7 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.4 | 176.5 | -160.2 | 0 | 0 | 0 | 0 | 108.2 | Y33 A63 D64 A67 A73 | Y33-V35 HydrophobicContact CD1-CG2 3.83Å; Y33-V35 HydrophobicContact CE1-CG2 3.19Å; V35-A63 HydrophobicContact CG2-CB 4.25Å; V35-D64 VanDerWaalsContact CG1-OD1 3.27Å; V35-D64 WeakPolarHBondContact CG1-OD1 3.22Å; V35-D64 WeakPolarHBondContact CG2-OD1 3.39Å; V35-A67 HydrophobicContact CB-CB 3.74Å; V35-A67 HydrophobicContact CG1-CB 3.41Å; V35-A67 VanDerWaalsContact CG1-CB 3.41Å; V35-A73 PolarHBondContact N-O 2.82Å; V35-A73 PolarHBondContact O-N 2.82Å |
| 36 | K | 96.4 | Very high | 96.8 | Very high | 118 Ų | 118 | 47.5 Ų | 47.5 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | trans | -105.6 | 143.2 | 176.1 | -67.9 | -174.6 | 178.3 | -176.3 | 0 | 110 | T72 | K36-T72 HydrophobicContact CG-CG2 4.29Š| ||
| 37 | P | 95.2 | Very high | 96.8 | Very high | 18 Ų | 18 | 42 Ų | 42 | 12% | 0.117 | 25% | 0.245 | C | C | . | . | trans | -65.1 | 158.7 | 171.8 | 25.4 | -28.9 | 0 | 0 | 0 | 110.7 | A39 A67 Y71 | P37-A39 VanDerWaalsContact C-N 3.27Å; P37-A39 WeakPolarHBondContact CG-O 3.17Å; P37-A39 PolarHBondContact O-N 2.76Å; P37-A67 WeakPolarHBondContact CA-O 3.18Å; P37-A67 WeakPolarHBondContact CB-O 3.21Å; P37-Y71 WeakPolarHBondContact CD-O 3.47Å | ||
| 38 | S | 90.6 | Very high | 96.8 | Very high | 139 Ų | 139 | 41.7 Ų | 41.7 | 97% | 0.972 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -65.5 | -30.3 | 179.2 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 39 | A | 92.3 | Very high | 96.9 | Very high | 66 Ų | 66 | 36.4 Ų | 36.4 | 55% | 0.545 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -100.7 | 152.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P37 S41 | P37-A39 VanDerWaalsContact C-N 3.27Å; P37-A39 WeakPolarHBondContact CG-O 3.17Å; P37-A39 PolarHBondContact O-N 2.76Å; A39-S41 PolarHBondContact O-N 2.91Å |
| 40 | A | 91.6 | Very high | 96.9 | Very high | 113 Ų | 113 | 33.5 Ų | 33.5 | 93% | 0.934 | 21% | 0.206 | S | C | * | . | trans | -57.4 | 135.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 41 | S | 94.3 | Very high | 96.9 | Very high | 33 Ų | 33 | 34.1 Ų | 34.1 | 23% | 0.231 | 21% | 0.209 | C | C | . | . | trans | -137.5 | 138.2 | -178.5 | -177.3 | 0 | 0 | 0 | 0 | 111 | A39 K43 G70 | A39-S41 PolarHBondContact O-N 2.91Å; S41-K43 PolarHBondContact OG-N 3.14Å; S41-K43 VanDerWaalsContact OG-N 3.11Å; S41-K43 PolarHBondContact OG-O 3.35Å; S41-G70 WeakPolarHBondContact CB-O 3.45Å; S41-G70 PolarHBondContact OG-O 3.37Å | ||
| 42 | D | 97.3 | Very high | 96.8 | Very high | 49 Ų | 49 | 30.6 Ų | 30.6 | 26% | 0.262 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -96 | 7.3 | 170.1 | 71.9 | -5.7 | 0 | 0 | 0 | 112.4 | A123 K124 R125 | D42-A123 CarbonylContact O-C 3.58Å; D42-A123 WeakPolarHBondContact O-CA 3.46Å; D42-K124 HydrophobicContact CB-CB 4.23Å; D42-K124 HydrophobicContact CB-CD 4.17Å; D42-K124 HydrophobicContact CB-CG 4.13Å; D42-K124 PolarHBondContact O-N 3.01Å; D42-R125 PolarHBondContact O-N 3.11Å; D42-R125 VanDerWaalsContact O-N 3.15Å; D42-R125 IonicContact OD1-CZ 2.76Å; D42-R125 IonicContact OD1-NE 3.55Å; D42-R125 IonicContact OD1-NH2 3.24Å; D42-R125 PolarHBondContact OD1-NH2 2.88Å; D42-R125 IonicContact OD2-CZ 2.77Å; D42-R125 IonicContact OD2-NH2 2.69Å; D42-R125 PolarHBondContact OD2-NH2 3.4Å |
| 43 | K | 98.6 | Very high | 96.7 | Very high | 48 Ų | 48 | 30.6 Ų | 30.6 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.7 | 179 | -50.8 | -179.3 | 179.6 | -158.8 | 0 | 109.5 | S41 Y71 T72 R125 I245 | S41-K43 PolarHBondContact OG-N 3.14Å; S41-K43 VanDerWaalsContact OG-N 3.11Å; S41-K43 PolarHBondContact OG-O 3.35Å; K43-Y71 HydrophobicContact CB-CD1 3.66Å; K43-Y71 HydrophobicContact CB-CE1 4.02Å; K43-Y71 HydrophobicContact CD-CD1 4.28Å; K43-Y71 HydrophobicContact CD-CE1 3.86Å; K43-T72 PolarHBondContact O-N 3.27Å; K43-R125 CarbonylContact C-O 3.57Å; K43-R125 WeakPolarHBondContact CA-O 3.41Å; K43-I245 VanDerWaalsContact CD-O 3.23Å; K43-I245 WeakPolarHBondContact CD-O 3.38Å; K43-I245 WeakPolarHBondContact CD-OXT 3.34Å; K43-I245 WeakPolarHBondContact CE-O 3.45Å; K43-I245 WeakPolarHBondContact CE-OXT 3.48Å; K43-I245 VanDerWaalsContact NZ-C 3.33Å; K43-I245 PolarHBondContact NZ-O 2.97Å; K43-I245 VanDerWaalsContact NZ-O 3.14Å; K43-I245 PolarHBondContact NZ-OXT 2.8Å |
| 44 | A | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 152 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T72 L117 A123 R125 I126 G127 | A44-T72 CarbonylContact C-O 3.59Å; A44-T72 WeakPolarHBondContact CA-O 3.18Å; A44-T72 WeakPolarHBondContact CB-O 3.48Å; A44-L117 HydrophobicContact CB-CD1 3.95Å; A44-L117 HydrophobicContact CB-CD2 3.76Å; A44-L117 HydrophobicContact CB-CG 4.3Å; A44-A123 HydrophobicContact CB-CB 3.63Å; A44-R125 PolarHBondContact N-O 3.14Å; A44-I126 HydrophobicContact CB-CG1 4.45Å; A44-I126 CarbonylContact O-C 3.55Å; A44-I126 VanDerWaalsContact O-CA 3.32Å; A44-I126 WeakPolarHBondContact O-CA 3.26Å; A44-G127 PolarHBondContact O-N 3.03Å |
| 45 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.6 | 175.4 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | V47 L66 Y71 T72 A73 V74 G127 V129 L241 I245 | V45-V47 HydrophobicContact CG1-CG2 4.28Å; V45-L66 HydrophobicContact CB-CD1 4.22Å; V45-L66 HydrophobicContact CG1-CD1 3.77Å; V45-Y71 HydrophobicContact CG2-CD1 3.82Å; V45-Y71 HydrophobicContact CG2-CE1 4.48Å; V45-Y71 HydrophobicContact CG2-CG 3.86Å; V45-T72 PolarHBondContact N-O 2.87Å; V45-A73 WeakPolarHBondContact O-CA 3.01Å; V45-V74 PolarHBondContact O-N 3.47Å; V45-G127 WeakPolarHBondContact CA-O 3.44Å; V45-V129 HydrophobicContact CG1-CB 4.1Å; V45-V129 HydrophobicContact CG1-CG2 3.65Å; V45-L241 HydrophobicContact CG2-CD1 4.09Å; V45-L241 HydrophobicContact CG2-CD2 4.36Å; V45-I245 HydrophobicContact CG2-CD1 3.78Å |
| 46 | I | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 114.8 | 167.5 | -53.2 | 173.7 | 0 | 0 | 0 | 107.3 | I48 V74 P76 F78 V113 L114 L117 I126 G127 T128 V129 I148 | I46-I48 HydrophobicContact CG2-CG1 4.14Å; I46-V74 CarbonylContact C-O 3.42Å; I46-V74 WeakPolarHBondContact CA-O 3.15Å; I46-V74 HydrophobicContact CB-CG1 4.36Å; I46-V74 HydrophobicContact CG1-CG1 4.01Å; I46-V74 HydrophobicContact CG2-CG1 4.5Å; I46-P76 HydrophobicContact CG2-CG 3.95Å; I46-F78 HydrophobicContact CG2-CE2 4.18Å; I46-F78 HydrophobicContact CG2-CZ 4.05Å; I46-V113 HydrophobicContact CD1-CG1 3.74Å; I46-V113 HydrophobicContact CG1-CG1 3.84Å; I46-V113 HydrophobicContact CG2-CG1 4.37Å; I46-L114 HydrophobicContact CD1-CD2 4.1Å; I46-L117 HydrophobicContact CD1-CD1 4.19Å; I46-L117 HydrophobicContact CG1-CD1 3.71Å; I46-I126 HydrophobicContact CD1-CG2 4.16Å; I46-I126 HydrophobicContact CG1-CG2 4.14Å; I46-G127 PolarHBondContact N-O 3.44Å; I46-T128 HydrophobicContact CB-CG2 4.06Å; I46-T128 HydrophobicContact CD1-CG2 4.35Å; I46-T128 WeakPolarHBondContact O-CA 3.48Å; I46-V129 PolarHBondContact O-N 2.85Å; I46-I148 HydrophobicContact CD1-CD1 4.34Å |
| 47 | V | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 118.2 | 176.1 | -174.7 | 0 | 0 | 0 | 0 | 108.1 | V45 T59 A63 L66 A73 V74 C75 P76 V129 F131 | V45-V47 HydrophobicContact CG1-CG2 4.28Å; V47-T59 HydrophobicContact CG1-CG2 4.01Å; V47-A63 HydrophobicContact CB-CB 4.46Å; V47-A63 HydrophobicContact CG2-CB 3.99Å; V47-L66 HydrophobicContact CG2-CD1 3.55Å; V47-A73 HydrophobicContact CG2-CB 4.38Å; V47-V74 PolarHBondContact N-O 3.24Å; V47-C75 HydrophobicContact CB-CB 4.16Å; V47-C75 WeakPolarHBondContact O-CA 3.21Å; V47-P76 WeakPolarHBondContact O-CD 3.35Å; V47-V129 CarbonylContact C-O 3.51Å; V47-V129 WeakPolarHBondContact CA-O 3.41Å; V47-F131 HydrophobicContact CG1-CE2 3.97Å |
| 48 | I | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.8 | -174.5 | -44.9 | -177.1 | 0 | 0 | 0 | 109.1 | I46 F78 V129 F131 W133 A137 L141 | I46-I48 HydrophobicContact CG2-CG1 4.14Å; I48-F78 HydrophobicContact CB-CE2 4.26Å; I48-F78 HydrophobicContact CD1-CE2 4.46Å; I48-F78 HydrophobicContact CG1-CE2 3.93Å; I48-F78 HydrophobicContact CG2-CD2 3.73Å; I48-F78 HydrophobicContact CG2-CE2 3.79Å; I48-V129 PolarHBondContact N-O 3.21Å; I48-F131 PolarHBondContact O-N 3.23Å; I48-W133 HydrophobicContact CG2-CE3 4.07Å; I48-W133 HydrophobicContact CG2-CZ3 3.7Å; I48-A137 HydrophobicContact CD1-CB 3.91Å; I48-A137 HydrophobicContact CG2-CB 3.99Å; I48-L141 HydrophobicContact CD1-CD1 3.94Å |
| 49 | Q | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -54.7 | 160.7 | 179 | 63.9 | -178 | 70 | 0 | 0 | 113.6 | G53 W54 T59 F79 G134 | Q49-G53 VanDerWaalsContact NE2-CA 3.29Å; Q49-W54 HydrophobicContact CB-CB 4.47Å; Q49-T59 HydrophobicContact CB-CG2 4.4Å; Q49-F79 VanDerWaalsContact NE2-CZ 3.26Å; Q49-G134 VanDerWaalsContact O-CA 3.27Å; Q49-G134 WeakPolarHBondContact O-CA 3.38Å; Q49-G134 PolarHBondContact O-N 3.32Å | ||
| 50 | D | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | trans | -85.7 | -166.5 | 161 | 67.2 | 17.6 | 0 | 0 | 0 | 111.2 | F52 G53 F131 C132 H216 | D50-F52 VanDerWaalsContact CG-CD2 3.48Å; D50-F52 PolarHBondContact O-N 2.8Å; D50-F52 VanDerWaalsContact O-N 3.14Å; D50-F52 WeakPolarHBondContact OD1-CB 3.14Å; D50-F52 WeakPolarHBondContact OD1-CD2 3.47Å; D50-F52 PolarHBondContact OD1-N 2.72Å; D50-F52 WeakPolarHBondContact OD2-CD2 3.34Å; D50-G53 PolarHBondContact O-N 2.83Å; D50-F131 WeakPolarHBondContact CA-O 3.38Å; D50-F131 WeakPolarHBondContact CB-O 3.45Å; D50-C132 HydrophobicContact CB-CB 3.8Å; D50-H216 IonicContact OD2-CD2 3.1Å; D50-H216 IonicContact OD2-CE1 3.86Å; D50-H216 PolarHBondContact OD2-CE1 3.42Å; D50-H216 IonicContact OD2-NE2 3.64Å; D50-H216 PolarHBondContact OD2-NE2 3.23Å | ||
| 51 | I | 97.1 | Very high | 96.3 | Very high | 14 Ų | 14 | 20.3 Ų | 20.3 | 7% | 0.072 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -14.6 | -178.6 | 64.2 | 176.1 | 0 | 0 | 0 | 114.1 | W85 W91 F94 W97 W133 | I51-W85 HydrophobicContact CB-CB 3.93Å; I51-W85 HydrophobicContact CD1-CB 4.04Å; I51-W85 HydrophobicContact CD1-CG 4Å; I51-W85 HydrophobicContact CG1-CB 4.05Å; I51-W85 WeakPolarHBondContact O-CB 3.41Å; I51-W85 PolarHBondContact O-N 2.78Å; I51-W91 HydrophobicContact CD1-CH2 4.1Å; I51-W91 HydrophobicContact CD1-CZ3 4.4Å; I51-F94 HydrophobicContact CD1-CE2 3.93Å; I51-F94 HydrophobicContact CD1-CZ 4.43Å; I51-F94 HydrophobicContact CG2-CE2 4.22Å; I51-F94 HydrophobicContact CG2-CZ 4.13Å; I51-W97 HydrophobicContact CB-CH2 3.68Å; I51-W97 HydrophobicContact CB-CZ3 4.12Å; I51-W97 HydrophobicContact CG2-CH2 3.85Å; I51-W97 HydrophobicContact CG2-CZ3 3.93Å; I51-W133 HydrophobicContact CG2-CB 3.82Å; I51-W133 HydrophobicContact CG2-CG 4.35Å |
| 52 | F | 95.9 | Very high | 96.5 | Very high | 29 Ų | 29 | 18.7 Ų | 18.7 | 13% | 0.127 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -0.5 | -176.8 | -52.1 | -63.7 | 0 | 0 | 0 | 113.9 | D50 L56 P84 W85 P87 R217 | D50-F52 VanDerWaalsContact CG-CD2 3.48Å; D50-F52 PolarHBondContact O-N 2.8Å; D50-F52 VanDerWaalsContact O-N 3.14Å; D50-F52 WeakPolarHBondContact OD1-CB 3.14Å; D50-F52 WeakPolarHBondContact OD1-CD2 3.47Å; D50-F52 PolarHBondContact OD1-N 2.72Å; D50-F52 WeakPolarHBondContact OD2-CD2 3.34Å; F52-L56 HydrophobicContact CB-CD1 4.28Å; F52-L56 HydrophobicContact CB-CD2 4.23Å; F52-L56 HydrophobicContact CD2-CD2 4.38Å; F52-P84 VanDerWaalsContact C-CB 3.46Å; F52-P84 WeakPolarHBondContact O-CB 3.44Å; F52-W85 WeakPolarHBondContact CD1-O 3.39Å; F52-P87 HydrophobicContact CD1-CG 4.25Å; F52-P87 HydrophobicContact CE1-CG 3.69Å; F52-P87 HydrophobicContact CZ-CG 4.46Å; F52-R217 VanDerWaalsContact CE2-NH1 3.27Å |
| 53 | G | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | 102.7 | 158.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q49 D50 E55 L56 | Q49-G53 VanDerWaalsContact NE2-CA 3.29Å; D50-G53 PolarHBondContact O-N 2.83Å; G53-E55 PolarHBondContact O-N 2.8Å; G53-L56 VanDerWaalsContact O-CB 3.3Å; G53-L56 WeakPolarHBondContact O-CB 3.28Å; G53-L56 PolarHBondContact O-N 2.9Å | ||
| 54 | W | 96.5 | Very high | 96.5 | Very high | 8 Ų | 8 | 14.4 Ų | 14.4 | 3% | 0.03 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -17.2 | 174 | 67.7 | -72.8 | 0 | 0 | 0 | 113.2 | E24 K31 Q49 L56 R60 D77 | E24-W54 HydrophobicContact CB-CH2 4.39Å; E24-W54 HydrophobicContact CG-CH2 3.88Å; E24-W54 HydrophobicContact CG-CZ3 3.92Å; K31-W54 HydrophobicContact CB-CH2 3.91Å; K31-W54 HydrophobicContact CB-CZ2 3.72Å; K31-W54 HydrophobicContact CD-CH2 4.43Å; K31-W54 HydrophobicContact CD-CZ2 4.01Å; Q49-W54 HydrophobicContact CB-CB 4.47Å; W54-L56 VanDerWaalsContact C-N 3.26Å; W54-R60 PolarHBondContact O-NE 2.93Å; W54-D77 HydrophobicContact CD2-CB 4.08Å; W54-D77 HydrophobicContact CG-CB 3.87Å; W54-D77 VanDerWaalsContact NE1-CB 3.33Å; W54-D77 VanDerWaalsContact NE1-CG 3.25Å; W54-D77 PolarHBondContact NE1-OD2 3.04Å |
| 55 | E | 95.4 | Very high | 96.4 | Very high | 112 Ų | 112 | 15.9 Ų | 15.9 | 52% | 0.523 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -11.8 | 175.3 | -57.7 | -171.5 | 124.4 | 0 | 0 | 112.6 | G53 P57 | G53-E55 PolarHBondContact O-N 2.8Å; E55-P57 VanDerWaalsContact O-CD 3.28Å; E55-P57 WeakPolarHBondContact O-CD 3.44Å; E55-P57 VanDerWaalsContact O-N 3.13Å |
| 56 | L | 93.1 | Very high | 96.4 | Very high | 24 Ų | 24 | 15.9 Ų | 15.9 | 13% | 0.126 | 7% | 0.074 | C | C | . | . | trans | -56.8 | 118.6 | 177.4 | -175.6 | 71.5 | 0 | 0 | 0 | 109.9 | F52 G53 W54 N58 T59 R60 | F52-L56 HydrophobicContact CB-CD1 4.28Å; F52-L56 HydrophobicContact CB-CD2 4.23Å; F52-L56 HydrophobicContact CD2-CD2 4.38Å; G53-L56 VanDerWaalsContact O-CB 3.3Å; G53-L56 WeakPolarHBondContact O-CB 3.28Å; G53-L56 PolarHBondContact O-N 2.9Å; W54-L56 VanDerWaalsContact C-N 3.26Å; L56-N58 HydrophobicContact CD2-CB 4Å; L56-N58 HydrophobicContact CG-CB 4.07Å; L56-N58 PolarHBondContact O-N 2.82Å; L56-N58 VanDerWaalsContact O-N 3.13Å; L56-T59 WeakPolarHBondContact O-CB 3.15Å; L56-T59 PolarHBondContact O-N 2.91Å; L56-R60 PolarHBondContact O-N 3.39Å | ||
| 57 | P | 92.9 | Very high | 96.3 | Very high | 29 Ų | 29 | 16.1 Ų | 16.1 | 19% | 0.188 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -56.9 | -34.7 | -176.5 | -29.1 | 36.7 | 0 | 0 | 0 | 113.3 | R15 E55 T59 R60 Y61 | R15-P57 HydrophobicContact CB-CB 4.33Å; R15-P57 WeakPolarHBondContact O-CB 3.25Å; E55-P57 VanDerWaalsContact O-CD 3.28Å; E55-P57 WeakPolarHBondContact O-CD 3.44Å; E55-P57 VanDerWaalsContact O-N 3.13Å; P57-T59 VanDerWaalsContact C-N 3.34Å; P57-T59 PolarHBondContact O-N 3.02Å; P57-R60 PolarHBondContact O-N 2.77Å; P57-Y61 WeakPolarHBondContact O-CB 3.43Å; P57-Y61 PolarHBondContact O-N 3.26Å |
| 58 | N | 91.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.1 | -39.3 | 175.1 | -70.3 | 66.8 | 0 | 0 | 0 | 113.2 | D14 R15 L56 M62 H216 R217 | D14-N58 PolarHBondContact OD1-OD1 2.9Å; R15-N58 PolarHBondContact N-OD1 2.81Å; L56-N58 HydrophobicContact CD2-CB 4Å; L56-N58 HydrophobicContact CG-CB 4.07Å; L56-N58 PolarHBondContact O-N 2.82Å; L56-N58 VanDerWaalsContact O-N 3.13Å; N58-M62 WeakPolarHBondContact O-CG 3.35Å; N58-M62 PolarHBondContact O-N 3.41Å; N58-H216 VanDerWaalsContact CB-O 3.3Å; N58-H216 WeakPolarHBondContact CB-O 3.45Å; N58-H216 PolarHBondContact ND2-O 2.87Å; N58-R217 WeakPolarHBondContact ND2-CA 3.38Å; N58-R217 PolarHBondContact ND2-O 2.8Å |
| 59 | T | 94.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.2 | -41.8 | 176.5 | -56.4 | 0 | 0 | 0 | 0 | 110.5 | V47 Q49 L56 P57 Y61 M62 A63 | V47-T59 HydrophobicContact CG1-CG2 4.01Å; Q49-T59 HydrophobicContact CB-CG2 4.4Å; L56-T59 WeakPolarHBondContact O-CB 3.15Å; L56-T59 PolarHBondContact O-N 2.91Å; P57-T59 VanDerWaalsContact C-N 3.34Å; P57-T59 PolarHBondContact O-N 3.02Å; T59-Y61 VanDerWaalsContact C-N 3.32Å; T59-Y61 PolarHBondContact O-N 3.04Å; T59-M62 WeakPolarHBondContact O-CB 3.27Å; T59-M62 PolarHBondContact O-N 3.18Å; T59-M62 VanDerWaalsContact O-N 3.12Å; T59-A63 PolarHBondContact O-N 2.9Å |
| 60 | R | 95.5 | Very high | 96.1 | Very high | 32 Ų | 32 | 25.4 Ų | 25.4 | 12% | 0.121 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.2 | -38.1 | 176.1 | -66.1 | -172.3 | 179 | -169.5 | -0.1 | 112.1 | E24 Y33 W54 L56 P57 M62 A63 D64 | E24-R60 IonicContact OE1-CZ 2.76Å; E24-R60 VanDerWaalsContact OE1-CZ 3.24Å; E24-R60 IonicContact OE1-NH1 3.88Å; E24-R60 PolarHBondContact OE1-NH1 3.49Å; E24-R60 IonicContact OE1-NH2 3.68Å; E24-R60 PolarHBondContact OE1-NH2 2.94Å; Y33-R60 HydrophobicContact CD1-CB 4.06Å; Y33-R60 HydrophobicContact CD1-CG 3.82Å; Y33-R60 HydrophobicContact CE1-CB 3.77Å; Y33-R60 HydrophobicContact CE1-CG 4.03Å; Y33-R60 HydrophobicContact CG-CG 4.07Å; W54-R60 PolarHBondContact O-NE 2.93Å; L56-R60 PolarHBondContact O-N 3.39Å; P57-R60 PolarHBondContact O-N 2.77Å; R60-M62 VanDerWaalsContact C-N 3.27Å; R60-M62 PolarHBondContact O-N 2.96Å; R60-A63 WeakPolarHBondContact O-CA 3.47Å; R60-A63 WeakPolarHBondContact O-CB 3.41Å; R60-A63 PolarHBondContact O-N 3.22Å; R60-D64 PolarHBondContact O-N 3.09Å |
| 61 | Y | 95.5 | Very high | 96.2 | Very high | 47 Ų | 47 | 25.4 Ų | 25.4 | 18% | 0.184 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.7 | -40 | 172.2 | 175.6 | -99.1 | 0 | 0 | 0 | 112.5 | Y18 P57 T59 A63 D64 M65 | Y18-Y61 HydrophobicContact CD2-CD2 4.48Å; Y18-Y61 HydrophobicContact CE1-CD2 4.16Å; Y18-Y61 HydrophobicContact CE2-CD2 4.04Å; Y18-Y61 AromaticContact CZ-CD2 3.85Å; P57-Y61 WeakPolarHBondContact O-CB 3.43Å; P57-Y61 PolarHBondContact O-N 3.26Å; T59-Y61 VanDerWaalsContact C-N 3.32Å; T59-Y61 PolarHBondContact O-N 3.04Å; Y61-A63 VanDerWaalsContact C-N 3.35Å; Y61-D64 PolarHBondContact O-N 2.91Å; Y61-M65 WeakPolarHBondContact O-CB 3.4Å; Y61-M65 PolarHBondContact O-N 3.43Å |
| 62 | M | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.9 | -37.8 | 175.1 | -63 | -53.3 | -58.1 | 0 | 0 | 112 | N58 T59 R60 M65 L66 F131 H216 R234 M237 | N58-M62 WeakPolarHBondContact O-CG 3.35Å; N58-M62 PolarHBondContact O-N 3.41Å; T59-M62 WeakPolarHBondContact O-CB 3.27Å; T59-M62 PolarHBondContact O-N 3.18Å; T59-M62 VanDerWaalsContact O-N 3.12Å; R60-M62 VanDerWaalsContact C-N 3.27Å; R60-M62 PolarHBondContact O-N 2.96Å; M62-M65 HydrophobicContact CE-CE 3.68Å; M62-M65 HydrophobicContact CE-SD 4.27Å; M62-M65 PolarHBondContact O-N 3.39Å; M62-L66 VanDerWaalsContact O-CG 3.31Å; M62-L66 WeakPolarHBondContact O-CG 3.48Å; M62-L66 PolarHBondContact O-N 2.76Å; M62-F131 HydrophobicContact CB-CE2 3.94Å; M62-F131 HydrophobicContact CB-CZ 3.86Å; M62-F131 HydrophobicContact CE-CE1 4.48Å; M62-F131 HydrophobicContact CE-CZ 4.02Å; M62-F131 HydrophobicContact CG-CE1 4.44Å; M62-F131 HydrophobicContact CG-CE2 3.96Å; M62-F131 HydrophobicContact CG-CZ 3.64Å; M62-H216 HydrophobicContact CG-CB 3.68Å; M62-H216 HydrophobicContact SD-CB 4.2Å; M62-R234 HydrophobicContact CE-CG 3.96Å; M62-M237 HydrophobicContact CE-CE 3.51Å; M62-M237 HydrophobicContact CE-SD 4.32Å |
| 63 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y33 V35 V47 T59 R60 Y61 M65 L66 A67 A73 | Y33-A63 HydrophobicContact CD1-CB 4.24Å; Y33-A63 HydrophobicContact CE1-CB 4.21Å; V35-A63 HydrophobicContact CG2-CB 4.25Å; V47-A63 HydrophobicContact CB-CB 4.46Å; V47-A63 HydrophobicContact CG2-CB 3.99Å; T59-A63 PolarHBondContact O-N 2.9Å; R60-A63 WeakPolarHBondContact O-CA 3.47Å; R60-A63 WeakPolarHBondContact O-CB 3.41Å; R60-A63 PolarHBondContact O-N 3.22Å; Y61-A63 VanDerWaalsContact C-N 3.35Å; A63-M65 VanDerWaalsContact C-N 3.34Å; A63-M65 PolarHBondContact O-N 3.15Å; A63-L66 PolarHBondContact O-N 3.23Å; A63-A67 PolarHBondContact O-N 3.1Å; A63-A73 HydrophobicContact CB-CB 3.9Å; A63-A73 WeakPolarHBondContact O-CB 3.31Å |
| 64 | D | 97.4 | Very high | 96.5 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 3% | 0.032 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.7 | -39.3 | 176.5 | -69.2 | -41.5 | 0 | 0 | 0 | 111.9 | Y18 G20 L21 Y33 V35 R60 Y61 L66 A67 A68 | Y18-D64 WeakPolarHBondContact CE1-OD2 3.45Å; Y18-D64 WeakPolarHBondContact OH-CB 3.46Å; Y18-D64 VanDerWaalsContact OH-CG 3.23Å; Y18-D64 PolarHBondContact OH-OD2 2.75Å; G20-D64 WeakPolarHBondContact CA-OD2 3.46Å; L21-D64 WeakPolarHBondContact CB-OD1 3.22Å; L21-D64 HydrophobicContact CD1-CB 4.34Å; L21-D64 HydrophobicContact CG-CB 4.5Å; L21-D64 PolarHBondContact N-OD1 3.25Å; L21-D64 PolarHBondContact N-OD2 3.36Å; Y33-D64 PolarHBondContact OH-OD1 3.29Å; Y33-D64 PolarHBondContact OH-OD2 3.19Å; V35-D64 VanDerWaalsContact CG1-OD1 3.27Å; V35-D64 WeakPolarHBondContact CG1-OD1 3.22Å; V35-D64 WeakPolarHBondContact CG2-OD1 3.39Å; R60-D64 PolarHBondContact O-N 3.09Å; Y61-D64 PolarHBondContact O-N 2.91Å; D64-L66 PolarHBondContact O-N 3.21Å; D64-A67 PolarHBondContact O-N 2.82Å; D64-A68 PolarHBondContact O-N 3.17Å |
| 65 | M | 97.1 | Very high | 96.6 | Very high | 31 Ų | 31 | 23.3 Ų | 23.3 | 15% | 0.153 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 174.5 | -169.9 | -165.7 | 77.3 | 0 | 0 | 111.9 | Y61 M62 A63 A67 A68 N69 R234 M237 L238 | Y61-M65 WeakPolarHBondContact O-CB 3.4Å; Y61-M65 PolarHBondContact O-N 3.43Å; M62-M65 HydrophobicContact CE-CE 3.68Å; M62-M65 HydrophobicContact CE-SD 4.27Å; M62-M65 PolarHBondContact O-N 3.39Å; A63-M65 VanDerWaalsContact C-N 3.34Å; A63-M65 PolarHBondContact O-N 3.15Å; M65-A67 VanDerWaalsContact C-N 3.35Å; M65-A68 PolarHBondContact O-N 3.25Å; M65-N69 PolarHBondContact O-N 3.44Å; M65-N69 PolarHBondContact O-ND2 2.75Å; M65-R234 HydrophobicContact CE-CB 4.19Å; M65-R234 HydrophobicContact CE-CG 4.47Å; M65-R234 HydrophobicContact SD-CB 4.26Å; M65-R234 HydrophobicContact SD-CG 4.4Å; M65-M237 HydrophobicContact CE-CE 3.24Å; M65-L238 HydrophobicContact CE-CD1 4.13Å; M65-L238 HydrophobicContact CE-CD2 4.41Å; M65-L238 HydrophobicContact CE-CG 4.22Å |
| 66 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 175.1 | -71.7 | 163.7 | 0 | 0 | 0 | 111 | V45 V47 M62 A63 D64 N69 G70 Y71 A73 V129 M237 L238 L241 | V45-L66 HydrophobicContact CB-CD1 4.22Å; V45-L66 HydrophobicContact CG1-CD1 3.77Å; V47-L66 HydrophobicContact CG2-CD1 3.55Å; M62-L66 VanDerWaalsContact O-CG 3.31Å; M62-L66 WeakPolarHBondContact O-CG 3.48Å; M62-L66 PolarHBondContact O-N 2.76Å; A63-L66 PolarHBondContact O-N 3.23Å; D64-L66 PolarHBondContact O-N 3.21Å; L66-N69 CarbonylContact O-C 3.46Å; L66-N69 WeakPolarHBondContact O-CA 3.31Å; L66-N69 PolarHBondContact O-N 2.81Å; L66-G70 PolarHBondContact O-N 2.85Å; L66-Y71 HydrophobicContact CB-CD2 4.43Å; L66-Y71 HydrophobicContact CD2-CD2 4.2Å; L66-Y71 WeakPolarHBondContact O-CD2 3.36Å; L66-Y71 PolarHBondContact O-N 3.37Å; L66-A73 HydrophobicContact CB-CB 4.19Å; L66-V129 HydrophobicContact CD1-CG2 4.33Å; L66-M237 HydrophobicContact CD2-CE 4.29Å; L66-L238 HydrophobicContact CD2-CD2 3.93Å; L66-L241 HydrophobicContact CD2-CD1 3.51Å |
| 67 | A | 97.9 | Very high | 97 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 5% | 0.05 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V35 P37 A63 D64 M65 N69 G70 Y71 | V35-A67 HydrophobicContact CB-CB 3.74Å; V35-A67 HydrophobicContact CG1-CB 3.41Å; V35-A67 VanDerWaalsContact CG1-CB 3.41Å; P37-A67 WeakPolarHBondContact CA-O 3.18Å; P37-A67 WeakPolarHBondContact CB-O 3.21Å; A63-A67 PolarHBondContact O-N 3.1Å; D64-A67 PolarHBondContact O-N 2.82Å; M65-A67 VanDerWaalsContact C-N 3.35Å; A67-N69 PolarHBondContact O-N 3.13Å; A67-N69 VanDerWaalsContact O-N 3.13Å; A67-G70 PolarHBondContact O-N 2.93Å; A67-Y71 WeakPolarHBondContact CA-O 3.32Å |
| 68 | A | 97 | Very high | 97.3 | Very high | 89 Ų | 89 | 16.3 Ų | 16.3 | 74% | 0.736 | 10% | 0.102 | S | C | * | . | H | α-helix | trans | -60.5 | -21.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | D64 M65 | D64-A68 PolarHBondContact O-N 3.17Å; M65-A68 PolarHBondContact O-N 3.25Å |
| 69 | N | 97.2 | Very high | 97.6 | Very high | 74 Ų | 74 | 16.5 Ų | 16.5 | 40% | 0.396 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 17.2 | 176.9 | -74.6 | -88.4 | 0 | 0 | 0 | 113.7 | M65 L66 A67 Y71 L238 | M65-N69 PolarHBondContact O-N 3.44Å; M65-N69 PolarHBondContact O-ND2 2.75Å; L66-N69 CarbonylContact O-C 3.46Å; L66-N69 WeakPolarHBondContact O-CA 3.31Å; L66-N69 PolarHBondContact O-N 2.81Å; A67-N69 PolarHBondContact O-N 3.13Å; A67-N69 VanDerWaalsContact O-N 3.13Å; N69-Y71 HydrophobicContact CB-CD2 4.33Å; N69-Y71 HydrophobicContact CB-CE2 4.33Å; N69-L238 HydrophobicContact CB-CD2 3.74Å |
| 70 | G | 96.9 | Very high | 97.7 | Very high | 32 Ų | 32 | 19.3 Ų | 19.3 | 33% | 0.33 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | 13.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S41 L66 A67 | S41-G70 WeakPolarHBondContact CB-O 3.45Å; S41-G70 PolarHBondContact OG-O 3.37Å; L66-G70 PolarHBondContact O-N 2.85Å; A67-G70 PolarHBondContact O-N 2.93Å |
| 71 | Y | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | trans | -104.3 | 137.6 | 176.8 | -59 | -76.8 | 0 | 0 | 0 | 111.8 | P37 K43 V45 L66 A67 N69 A73 L238 L241 N242 I245 | P37-Y71 WeakPolarHBondContact CD-O 3.47Å; K43-Y71 HydrophobicContact CB-CD1 3.66Å; K43-Y71 HydrophobicContact CB-CE1 4.02Å; K43-Y71 HydrophobicContact CD-CD1 4.28Å; K43-Y71 HydrophobicContact CD-CE1 3.86Å; V45-Y71 HydrophobicContact CG2-CD1 3.82Å; V45-Y71 HydrophobicContact CG2-CE1 4.48Å; V45-Y71 HydrophobicContact CG2-CG 3.86Å; L66-Y71 HydrophobicContact CB-CD2 4.43Å; L66-Y71 HydrophobicContact CD2-CD2 4.2Å; L66-Y71 WeakPolarHBondContact O-CD2 3.36Å; L66-Y71 PolarHBondContact O-N 3.37Å; A67-Y71 WeakPolarHBondContact CA-O 3.32Å; N69-Y71 HydrophobicContact CB-CD2 4.33Å; N69-Y71 HydrophobicContact CB-CE2 4.33Å; Y71-A73 PolarHBondContact O-N 3.36Å; Y71-A73 VanDerWaalsContact O-N 3.16Å; Y71-L238 HydrophobicContact CE2-CD2 4.28Å; Y71-L241 HydrophobicContact CE1-CB 4.4Å; Y71-L241 HydrophobicContact CE2-CB 4.43Å; Y71-L241 WeakPolarHBondContact OH-CB 3.31Å; Y71-N242 WeakPolarHBondContact OH-CA 3.12Å; Y71-N242 PolarHBondContact OH-N 3.17Å; Y71-N242 VanDerWaalsContact OH-N 3.11Å; Y71-N242 PolarHBondContact OH-OD1 2.67Å; Y71-I245 HydrophobicContact CD1-CD1 3.83Å; Y71-I245 HydrophobicContact CE1-CD1 3.47Å; Y71-I245 VanDerWaalsContact CE1-CD1 3.47Å; Y71-I245 HydrophobicContact CE1-CG1 3.76Å | ||
| 72 | T | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 22.7 Ų | 22.7 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 111.2 | 159.8 | -63.1 | 0 | 0 | 0 | 0 | 108.2 | K36 K43 A44 V45 L117 C121 | K36-T72 HydrophobicContact CG-CG2 4.29Å; K43-T72 PolarHBondContact O-N 3.27Å; A44-T72 CarbonylContact C-O 3.59Å; A44-T72 WeakPolarHBondContact CA-O 3.18Å; A44-T72 WeakPolarHBondContact CB-O 3.48Å; V45-T72 PolarHBondContact N-O 2.87Å; T72-L117 HydrophobicContact CG2-CD2 4.38Å; T72-C121 HydrophobicContact CG2-CB 4.19Å |
| 73 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V34 V35 V45 V47 A63 L66 Y71 | V34-A73 WeakPolarHBondContact CA-O 3.29Å; V35-A73 PolarHBondContact N-O 2.82Å; V35-A73 PolarHBondContact O-N 2.82Å; V45-A73 WeakPolarHBondContact O-CA 3.01Å; V47-A73 HydrophobicContact CG2-CB 4.38Å; A63-A73 HydrophobicContact CB-CB 3.9Å; A63-A73 WeakPolarHBondContact O-CB 3.31Å; L66-A73 HydrophobicContact CB-CB 4.19Å; Y71-A73 PolarHBondContact O-N 3.36Å; Y71-A73 VanDerWaalsContact O-N 3.16Å |
| 74 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.9 | 171.6 | 60.2 | 0 | 0 | 0 | 0 | 108.9 | I27 A32 Y33 V34 V45 I46 V47 P76 V113 L117 | I27-V74 HydrophobicContact CD1-CG2 4.15Å; A32-V74 HydrophobicContact CB-CG2 3.81Å; Y33-V74 CarbonylContact O-C 3.41Å; Y33-V74 WeakPolarHBondContact O-CA 3.27Å; V34-V74 HydrophobicContact CG2-CB 4.14Å; V34-V74 HydrophobicContact CG2-CG2 3.72Å; V45-V74 PolarHBondContact O-N 3.47Å; I46-V74 CarbonylContact C-O 3.42Å; I46-V74 WeakPolarHBondContact CA-O 3.15Å; I46-V74 HydrophobicContact CB-CG1 4.36Å; I46-V74 HydrophobicContact CG1-CG1 4.01Å; I46-V74 HydrophobicContact CG2-CG1 4.5Å; V47-V74 PolarHBondContact N-O 3.24Å; V74-P76 HydrophobicContact CG2-CG 4.14Å; V74-P76 WeakPolarHBondContact O-CD 3.49Å; V74-V113 HydrophobicContact CG1-CG1 3.76Å; V74-V113 HydrophobicContact CG2-CG1 4.5Å; V74-L117 HydrophobicContact CB-CD2 4.32Å; V74-L117 HydrophobicContact CG1-CD1 3.88Å; V74-L117 HydrophobicContact CG1-CD2 3.79Å; V74-L117 HydrophobicContact CG1-CG 4.09Å |
| 75 | C | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 91.1 | 172.9 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | A32 Y33 V47 | A32-C75 WeakPolarHBondContact CA-O 3.33Å; Y33-C75 HydrophobicContact CD1-CB 4.5Å; Y33-C75 PolarHBondContact N-O 3.02Å; Y33-C75 PolarHBondContact O-N 2.97Å; V47-C75 HydrophobicContact CB-CB 4.16Å; V47-C75 WeakPolarHBondContact O-CA 3.21Å |
| 76 | P | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 149.3 | -177.6 | -7.1 | 24.4 | 0 | 0 | 0 | 112.2 | I30 A32 I46 V47 V74 F78 V113 | I30-P76 HydrophobicContact CD1-CB 4.01Å; A32-P76 HydrophobicContact CB-CB 4.35Å; I46-P76 HydrophobicContact CG2-CG 3.95Å; V47-P76 WeakPolarHBondContact O-CD 3.35Å; V74-P76 HydrophobicContact CG2-CG 4.14Å; V74-P76 WeakPolarHBondContact O-CD 3.49Å; P76-F78 VanDerWaalsContact C-N 3.34Å; P76-F78 HydrophobicContact CB-CD2 4.24Å; P76-F78 HydrophobicContact CB-CE2 3.96Å; P76-F78 HydrophobicContact CB-CZ 4.15Å; P76-F78 HydrophobicContact CG-CD2 4.38Å; P76-F78 HydrophobicContact CG-CE2 3.64Å; P76-F78 HydrophobicContact CG-CZ 3.77Å; P76-F78 PolarHBondContact O-N 3.13Å; P76-V113 HydrophobicContact CB-CG2 3.82Å; P76-V113 HydrophobicContact CG-CB 4.5Å; P76-V113 HydrophobicContact CG-CG1 4.13Å; P76-V113 HydrophobicContact CG-CG2 3.58Å |
| 77 | D | 98.4 | Very high | 96.6 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | trans | -74.7 | 85.8 | 166.1 | -175.6 | 5.6 | 0 | 0 | 0 | 110.4 | K31 W54 F79 V80 G81 | K31-D77 HydrophobicContact CB-CB 4.27Å; K31-D77 WeakPolarHBondContact O-CB 3.4Å; K31-D77 PolarHBondContact O-N 3.15Å; W54-D77 HydrophobicContact CD2-CB 4.08Å; W54-D77 HydrophobicContact CG-CB 3.87Å; W54-D77 VanDerWaalsContact NE1-CB 3.33Å; W54-D77 VanDerWaalsContact NE1-CG 3.25Å; W54-D77 PolarHBondContact NE1-OD2 3.04Å; D77-F79 PolarHBondContact O-N 2.82Å; D77-F79 WeakPolarHBondContact OD1-CA 3.45Å; D77-F79 PolarHBondContact OD1-N 3.32Å; D77-V80 PolarHBondContact O-N 3.39Å; D77-V80 VanDerWaalsContact O-N 3.14Å; D77-V80 PolarHBondContact OD1-N 3.24Å; D77-G81 WeakPolarHBondContact OD2-CA 3.18Å; D77-G81 PolarHBondContact OD2-N 2.76Å | ||
| 78 | F | 98.6 | Very high | 96.2 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -7.8 | 175.5 | -73.4 | -71.6 | 0 | 0 | 0 | 113.6 | I46 I48 P76 V80 I106 E109 V110 W133 | I46-F78 HydrophobicContact CG2-CE2 4.18Å; I46-F78 HydrophobicContact CG2-CZ 4.05Å; I48-F78 HydrophobicContact CB-CE2 4.26Å; I48-F78 HydrophobicContact CD1-CE2 4.46Å; I48-F78 HydrophobicContact CG1-CE2 3.93Å; I48-F78 HydrophobicContact CG2-CD2 3.73Å; I48-F78 HydrophobicContact CG2-CE2 3.79Å; P76-F78 VanDerWaalsContact C-N 3.34Å; P76-F78 HydrophobicContact CB-CD2 4.24Å; P76-F78 HydrophobicContact CB-CE2 3.96Å; P76-F78 HydrophobicContact CB-CZ 4.15Å; P76-F78 HydrophobicContact CG-CD2 4.38Å; P76-F78 HydrophobicContact CG-CE2 3.64Å; P76-F78 HydrophobicContact CG-CZ 3.77Å; P76-F78 PolarHBondContact O-N 3.13Å; F78-V80 VanDerWaalsContact C-N 3.34Å; F78-I106 HydrophobicContact CB-CG2 4.4Å; F78-I106 HydrophobicContact CD1-CB 3.93Å; F78-I106 HydrophobicContact CD1-CD1 4.2Å; F78-I106 HydrophobicContact CD1-CG2 4.14Å; F78-I106 HydrophobicContact CE1-CB 4.35Å; F78-I106 HydrophobicContact CE1-CD1 4.12Å; F78-E109 HydrophobicContact CD1-CB 3.73Å; F78-E109 HydrophobicContact CE1-CB 3.92Å; F78-V110 HydrophobicContact CE1-CG2 3.66Å; F78-V110 HydrophobicContact CZ-CG2 4.09Å; F78-W133 HydrophobicContact CB-CH2 3.67Å; F78-W133 HydrophobicContact CB-CZ3 3.91Å; F78-W133 HydrophobicContact CG-CH2 4.4Å; F78-W133 HydrophobicContact CG-CZ3 4.4Å |
| 79 | F | 98.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -6.6 | 171.9 | -65 | -11.5 | 0 | 0 | 0 | 112.3 | Q49 D77 G81 K82 P84 W97 K101 W133 | Q49-F79 VanDerWaalsContact NE2-CZ 3.26Å; D77-F79 PolarHBondContact O-N 2.82Å; D77-F79 WeakPolarHBondContact OD1-CA 3.45Å; D77-F79 PolarHBondContact OD1-N 3.32Å; F79-G81 VanDerWaalsContact C-N 3.32Å; F79-G81 PolarHBondContact O-N 3.16Å; F79-K82 HydrophobicContact CB-CB 4.29Å; F79-K82 WeakPolarHBondContact CB-O 3.48Å; F79-K82 WeakPolarHBondContact O-CB 3.32Å; F79-K82 WeakPolarHBondContact O-CD 3.43Å; F79-K82 WeakPolarHBondContact O-CG 3.4Å; F79-K82 PolarHBondContact O-N 2.85Å; F79-P84 HydrophobicContact CD2-CB 4.27Å; F79-P84 HydrophobicContact CD2-CG 4.24Å; F79-P84 HydrophobicContact CE2-CB 4.14Å; F79-W97 HydrophobicContact CD2-CZ2 4.4Å; F79-W97 AromaticContact CE2-CH2 3.98Å; F79-W97 HydrophobicContact CE2-CH2 3.98Å; F79-W97 AromaticContact CE2-CZ2 3.61Å; F79-W97 HydrophobicContact CE2-CZ2 3.61Å; F79-W97 AromaticContact CZ-CH2 3.66Å; F79-W97 HydrophobicContact CZ-CH2 3.66Å; F79-W97 AromaticContact CZ-CZ2 3.77Å; F79-W97 HydrophobicContact CZ-CZ2 3.77Å; F79-K101 HydrophobicContact CD1-CB 3.98Å; F79-K101 HydrophobicContact CD1-CD 3.99Å; F79-K101 HydrophobicContact CD1-CG 3.88Å; F79-K101 HydrophobicContact CD2-CD 4.08Å; F79-K101 HydrophobicContact CE1-CB 3.94Å; F79-K101 HydrophobicContact CE1-CD 4.2Å; F79-K101 HydrophobicContact CE1-CG 4.25Å; F79-K101 HydrophobicContact CE2-CD 4.29Å; F79-K101 HydrophobicContact CG-CD 3.95Å; F79-K101 HydrophobicContact CG-CG 4.2Å; F79-K101 HydrophobicContact CZ-CD 4.36Å; F79-W133 HydrophobicContact CD1-CH2 4.44Å; F79-W133 HydrophobicContact CD1-CZ2 4.32Å; F79-W133 HydrophobicContact CE1-CD2 4.12Å; F79-W133 AromaticContact CE1-CE2 3.76Å; F79-W133 HydrophobicContact CE1-CE3 4.39Å; F79-W133 HydrophobicContact CE1-CH2 4.02Å; F79-W133 AromaticContact CE1-CZ2 3.71Å; F79-W133 HydrophobicContact CE1-CZ2 3.71Å; F79-W133 HydrophobicContact CE1-CZ3 4.35Å |
| 80 | V | 97.3 | Very high | 95.5 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 49.4 | 173.7 | -163.2 | 0 | 0 | 0 | 0 | 111 | I30 D77 F78 K82 E109 | I30-V80 HydrophobicContact CG2-CG1 4.44Å; I30-V80 HydrophobicContact CG2-CG2 4.15Å; D77-V80 PolarHBondContact O-N 3.39Å; D77-V80 VanDerWaalsContact O-N 3.14Å; D77-V80 PolarHBondContact OD1-N 3.24Å; F78-V80 VanDerWaalsContact C-N 3.34Å; V80-K82 VanDerWaalsContact C-N 3.25Å; V80-K82 PolarHBondContact O-N 2.87Å; V80-E109 HydrophobicContact CG2-CG 3.72Å |
| 81 | G | 96.3 | Very high | 95.2 | Very high | 65 Ų | 65 | 45.1 Ų | 45.1 | 67% | 0.67 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 1.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D77 F79 | D77-G81 WeakPolarHBondContact OD2-CA 3.18Å; D77-G81 PolarHBondContact OD2-N 2.76Å; F79-G81 VanDerWaalsContact C-N 3.32Å; F79-G81 PolarHBondContact O-N 3.16Å |
| 82 | K | 96.5 | Very high | 95 | Very high | 84 Ų | 84 | 49.3 Ų | 49.3 | 37% | 0.365 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 144.9 | 174.7 | -59.9 | 171.9 | -178.2 | -170 | 0 | 111.1 | F79 V80 P84 D100 K101 | F79-K82 HydrophobicContact CB-CB 4.29Å; F79-K82 WeakPolarHBondContact CB-O 3.48Å; F79-K82 WeakPolarHBondContact O-CB 3.32Å; F79-K82 WeakPolarHBondContact O-CD 3.43Å; F79-K82 WeakPolarHBondContact O-CG 3.4Å; F79-K82 PolarHBondContact O-N 2.85Å; V80-K82 VanDerWaalsContact C-N 3.25Å; V80-K82 PolarHBondContact O-N 2.87Å; K82-P84 WeakPolarHBondContact O-CD 3.11Å; K82-D100 VanDerWaalsContact CD-OD2 3.31Å; K82-D100 WeakPolarHBondContact CD-OD2 3.36Å; K82-D100 WeakPolarHBondContact CE-OD2 3.44Å; K82-D100 VanDerWaalsContact NZ-CG 3.35Å; K82-D100 PolarHBondContact NZ-O 2.66Å; K82-D100 IonicContact NZ-OD2 2.82Å; K82-D100 PolarHBondContact NZ-OD2 3.36Å; K82-K101 HydrophobicContact CD-CG 4.33Å |
| 83 | E | 95.4 | Very high | 94.8 | Very high | 143 Ų | 143 | 52 Ų | 52 | 67% | 0.668 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 122.5 | -179.5 | -73.1 | -68.7 | 155.3 | 0 | 0 | 113.1 | W97 K101 | E83-W97 PolarHBondContact O-NE1 3.11Å; E83-K101 VanDerWaalsContact O-CE 3.27Å; E83-K101 WeakPolarHBondContact O-CE 3.41Å |
| 84 | P | 96.7 | Very high | 94.5 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 169.1 | 168.8 | -21.9 | 33.2 | 0 | 0 | 0 | 113.3 | F52 F79 K82 | F52-P84 VanDerWaalsContact C-CB 3.46Å; F52-P84 WeakPolarHBondContact O-CB 3.44Å; F79-P84 HydrophobicContact CD2-CB 4.27Å; F79-P84 HydrophobicContact CD2-CG 4.24Å; F79-P84 HydrophobicContact CE2-CB 4.14Å; K82-P84 WeakPolarHBondContact O-CD 3.11Å |
| 85 | W | 95.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 60 Ų | 60 | 3% | 0.027 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 138.9 | 172.6 | -172.6 | -108.3 | 0 | 0 | 0 | 109.9 | I51 F52 K89 D90 W91 T93 F94 W97 | I51-W85 HydrophobicContact CB-CB 3.93Å; I51-W85 HydrophobicContact CD1-CB 4.04Å; I51-W85 HydrophobicContact CD1-CG 4Å; I51-W85 HydrophobicContact CG1-CB 4.05Å; I51-W85 WeakPolarHBondContact O-CB 3.41Å; I51-W85 PolarHBondContact O-N 2.78Å; F52-W85 WeakPolarHBondContact CD1-O 3.39Å; W85-K89 HydrophobicContact CE3-CD 4.28Å; W85-K89 HydrophobicContact CH2-CB 3.81Å; W85-K89 HydrophobicContact CZ2-CB 3.82Å; W85-K89 HydrophobicContact CZ3-CB 4.25Å; W85-K89 HydrophobicContact CZ3-CD 4.19Å; W85-D90 WeakPolarHBondContact CH2-O 3.33Å; W85-W91 AromaticContact CD1-CH2 3.92Å; W85-W91 HydrophobicContact CZ2-CD2 4.08Å; W85-W91 HydrophobicContact CZ2-CE3 4.11Å; W85-W91 HydrophobicContact CZ2-CG 4.33Å; W85-W91 AromaticContact NE1-CD2 3.98Å; W85-W91 AromaticContact NE1-CE2 3.77Å; W85-W91 AromaticContact NE1-CE3 3.88Å; W85-W91 AromaticContact NE1-CH2 3.45Å; W85-W91 AromaticContact NE1-CZ2 3.52Å; W85-W91 AromaticContact NE1-CZ3 3.62Å; W85-T93 WeakPolarHBondContact CH2-OG1 3.32Å; W85-F94 AromaticContact CD2-CD2 3.63Å; W85-F94 HydrophobicContact CD2-CD2 3.63Å; W85-F94 HydrophobicContact CD2-CE2 4.12Å; W85-F94 AromaticContact CE2-CD2 3.75Å; W85-F94 AromaticContact CE3-CD2 3.76Å; W85-F94 HydrophobicContact CE3-CD2 3.76Å; W85-F94 HydrophobicContact CE3-CE2 4.44Å; W85-F94 HydrophobicContact CG-CD2 4.16Å; W85-F94 HydrophobicContact CG-CE2 4.19Å; W85-F94 HydrophobicContact CH2-CB 3.81Å; W85-F94 HydrophobicContact CH2-CD2 4.12Å; W85-F94 HydrophobicContact CZ2-CB 4.1Å; W85-F94 HydrophobicContact CZ2-CD2 4.02Å; W85-F94 HydrophobicContact CZ3-CB 4.18Å; W85-F94 HydrophobicContact CZ3-CD2 4Å; W85-W97 HydrophobicContact CB-CD2 4.35Å; W85-W97 HydrophobicContact CB-CE3 4.47Å; W85-W97 HydrophobicContact CB-CH2 4.01Å; W85-W97 HydrophobicContact CB-CZ2 3.82Å; W85-W97 HydrophobicContact CB-CZ3 4.32Å; W85-W97 HydrophobicContact CE3-CB 3.89Å; W85-W97 AromaticContact CE3-CD2 3.71Å; W85-W97 HydrophobicContact CE3-CD2 3.71Å; W85-W97 HydrophobicContact CE3-CE3 4.08Å; W85-W97 AromaticContact CE3-CG 3.61Å; W85-W97 HydrophobicContact CE3-CG 3.61Å; W85-W97 HydrophobicContact CZ3-CB 3.74Å; W85-W97 HydrophobicContact CZ3-CD2 4.46Å; W85-W97 AromaticContact CZ3-CG 4Å; W85-W97 HydrophobicContact CZ3-CG 4Å; W85-W97 VanDerWaalsContact N-CZ2 3.3Å |
| 86 | S | 91.4 | Very high | 94.1 | Very high | 37 Ų | 37 | 65.5 Ų | 65.5 | 26% | 0.259 | 36% | 0.358 | S | S | . | . | trans | -107.6 | 132.9 | 170.7 | 169.1 | 0 | 0 | 0 | 0 | 109.3 | T88 K89 | S86-T88 PolarHBondContact O-N 2.9Å; S86-T88 PolarHBondContact OG-N 2.92Å; S86-T88 PolarHBondContact OG-OG1 2.87Å; S86-K89 WeakPolarHBondContact O-CB 3.22Å; S86-K89 PolarHBondContact O-N 2.87Å | ||
| 87 | P | 84.1 | Confident | 93.9 | Very high | 58 Ų | 58 | 66.6 Ų | 66.6 | 38% | 0.377 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -22.3 | 174.1 | -22.7 | 31.3 | 0 | 0 | 0 | 114.1 | I12 F52 | I12-P87 HydrophobicContact CD1-CG 4.3Å; F52-P87 HydrophobicContact CD1-CG 4.25Å; F52-P87 HydrophobicContact CE1-CG 3.69Å; F52-P87 HydrophobicContact CZ-CG 4.46Å |
| 88 | T | 88.2 | Confident | 93.8 | Very high | 130 Ų | 130 | 68 Ų | 68 | 80% | 0.798 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.8 | -180 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | S86 | S86-T88 PolarHBondContact O-N 2.9Å; S86-T88 PolarHBondContact OG-N 2.92Å; S86-T88 PolarHBondContact OG-OG1 2.87Å |
| 89 | K | 89.1 | Confident | 93.6 | Very high | 85 Ų | 85 | 73.5 Ų | 73.5 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -75.3 | 155 | 175.8 | -76.4 | -179.1 | 178.8 | 176.6 | 0 | 111 | W85 S86 W91 | W85-K89 HydrophobicContact CE3-CD 4.28Å; W85-K89 HydrophobicContact CH2-CB 3.81Å; W85-K89 HydrophobicContact CZ2-CB 3.82Å; W85-K89 HydrophobicContact CZ3-CB 4.25Å; W85-K89 HydrophobicContact CZ3-CD 4.19Å; S86-K89 WeakPolarHBondContact O-CB 3.22Å; S86-K89 PolarHBondContact O-N 2.87Å; K89-W91 PolarHBondContact O-N 3.14Å |
| 90 | D | 91.6 | Very high | 93.4 | Very high | 103 Ų | 103 | 76.9 Ų | 76.9 | 55% | 0.551 | 41% | 0.412 | S | S | * | . | trans | -66.9 | 113.6 | 172.1 | 178.7 | 6.8 | 0 | 0 | 0 | 110.4 | W85 S92 T93 | W85-D90 WeakPolarHBondContact CH2-O 3.33Å; D90-S92 PolarHBondContact O-N 2.94Å; D90-S92 VanDerWaalsContact O-N 3.09Å; D90-S92 WeakPolarHBondContact OD1-CB 3.35Å; D90-S92 PolarHBondContact OD1-N 2.74Å; D90-S92 PolarHBondContact OD1-OG 3.09Å; D90-S92 PolarHBondContact OD2-OG 3.28Å; D90-T93 HydrophobicContact CB-CG2 4.36Å; D90-T93 WeakPolarHBondContact O-CB 3.38Å; D90-T93 PolarHBondContact O-N 2.63Å; D90-T93 PolarHBondContact O-OG1 3.09Å | ||
| 91 | W | 90.2 | Very high | 93.3 | Very high | 109 Ų | 109 | 74.8 Ų | 74.8 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -57.7 | -20.3 | 178 | -73.3 | 91 | 0 | 0 | 0 | 113.9 | C8 I51 W85 K89 T93 F94 | C8-W91 HydrophobicContact CB-CZ2 4.32Å; I51-W91 HydrophobicContact CD1-CH2 4.1Å; I51-W91 HydrophobicContact CD1-CZ3 4.4Å; W85-W91 AromaticContact CD1-CH2 3.92Å; W85-W91 HydrophobicContact CZ2-CD2 4.08Å; W85-W91 HydrophobicContact CZ2-CE3 4.11Å; W85-W91 HydrophobicContact CZ2-CG 4.33Å; W85-W91 AromaticContact NE1-CD2 3.98Å; W85-W91 AromaticContact NE1-CE2 3.77Å; W85-W91 AromaticContact NE1-CE3 3.88Å; W85-W91 AromaticContact NE1-CH2 3.45Å; W85-W91 AromaticContact NE1-CZ2 3.52Å; W85-W91 AromaticContact NE1-CZ3 3.62Å; K89-W91 PolarHBondContact O-N 3.14Å; W91-T93 PolarHBondContact O-N 3.16Å; W91-F94 HydrophobicContact CE3-CB 4.35Å; W91-F94 HydrophobicContact CE3-CD2 4.23Å; W91-F94 HydrophobicContact CE3-CG 4.27Å; W91-F94 HydrophobicContact CZ3-CD2 4.08Å; W91-F94 HydrophobicContact CZ3-CE2 4.29Å; W91-F94 HydrophobicContact CZ3-CG 4.43Å; W91-F94 WeakPolarHBondContact O-CB 3.38Å; W91-F94 PolarHBondContact O-N 3.41Å; W91-F94 VanDerWaalsContact O-N 3.12Å |
| 92 | S | 93.3 | Very high | 93.3 | Very high | 90 Ų | 90 | 76.6 Ų | 76.6 | 63% | 0.629 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -60.6 | -27.1 | 171.6 | 85.1 | 0 | 0 | 0 | 0 | 112.5 | D90 | D90-S92 PolarHBondContact O-N 2.94Å; D90-S92 VanDerWaalsContact O-N 3.09Å; D90-S92 WeakPolarHBondContact OD1-CB 3.35Å; D90-S92 PolarHBondContact OD1-N 2.74Å; D90-S92 PolarHBondContact OD1-OG 3.09Å; D90-S92 PolarHBondContact OD2-OG 3.28Å |
| 93 | T | 94 | Very high | 93.3 | Very high | 62 Ų | 62 | 73.3 Ų | 73.3 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -87.9 | -2.7 | 179.3 | 70.2 | 0 | 0 | 0 | 0 | 113.6 | W85 D90 W91 Q95 E96 W97 | W85-T93 WeakPolarHBondContact CH2-OG1 3.32Å; D90-T93 HydrophobicContact CB-CG2 4.36Å; D90-T93 WeakPolarHBondContact O-CB 3.38Å; D90-T93 PolarHBondContact O-N 2.63Å; D90-T93 PolarHBondContact O-OG1 3.09Å; W91-T93 PolarHBondContact O-N 3.16Å; T93-Q95 VanDerWaalsContact C-N 3.31Å; T93-Q95 PolarHBondContact O-N 3.24Å; T93-E96 WeakPolarHBondContact O-CB 3.44Å; T93-E96 PolarHBondContact O-N 3.3Å; T93-E96 VanDerWaalsContact O-N 3.09Å; T93-W97 PolarHBondContact O-N 3.04Å; T93-W97 VanDerWaalsContact O-N 3.09Å |
| 94 | F | 93.4 | Very high | 93.4 | Very high | 37 Ų | 37 | 67.8 Ų | 67.8 | 16% | 0.162 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.6 | -39.9 | -175 | -177.6 | -104.6 | 0 | 0 | 0 | 113 | I51 W85 W91 E96 W97 L98 | I51-F94 HydrophobicContact CD1-CE2 3.93Å; I51-F94 HydrophobicContact CD1-CZ 4.43Å; I51-F94 HydrophobicContact CG2-CE2 4.22Å; I51-F94 HydrophobicContact CG2-CZ 4.13Å; W85-F94 AromaticContact CD2-CD2 3.63Å; W85-F94 HydrophobicContact CD2-CD2 3.63Å; W85-F94 HydrophobicContact CD2-CE2 4.12Å; W85-F94 AromaticContact CE2-CD2 3.75Å; W85-F94 AromaticContact CE3-CD2 3.76Å; W85-F94 HydrophobicContact CE3-CD2 3.76Å; W85-F94 HydrophobicContact CE3-CE2 4.44Å; W85-F94 HydrophobicContact CG-CD2 4.16Å; W85-F94 HydrophobicContact CG-CE2 4.19Å; W85-F94 HydrophobicContact CH2-CB 3.81Å; W85-F94 HydrophobicContact CH2-CD2 4.12Å; W85-F94 HydrophobicContact CZ2-CB 4.1Å; W85-F94 HydrophobicContact CZ2-CD2 4.02Å; W85-F94 HydrophobicContact CZ3-CB 4.18Å; W85-F94 HydrophobicContact CZ3-CD2 4Å; W91-F94 HydrophobicContact CE3-CB 4.35Å; W91-F94 HydrophobicContact CE3-CD2 4.23Å; W91-F94 HydrophobicContact CE3-CG 4.27Å; W91-F94 HydrophobicContact CZ3-CD2 4.08Å; W91-F94 HydrophobicContact CZ3-CE2 4.29Å; W91-F94 HydrophobicContact CZ3-CG 4.43Å; W91-F94 WeakPolarHBondContact O-CB 3.38Å; W91-F94 PolarHBondContact O-N 3.41Å; W91-F94 VanDerWaalsContact O-N 3.12Å; F94-E96 VanDerWaalsContact C-N 3.3Å; F94-E96 PolarHBondContact O-N 3.42Å; F94-W97 AromaticContact CD2-CE3 3.91Å; F94-W97 HydrophobicContact CD2-CE3 3.91Å; F94-W97 HydrophobicContact CD2-CZ3 4.3Å; F94-W97 AromaticContact CE2-CE3 3.61Å; F94-W97 HydrophobicContact CE2-CE3 3.61Å; F94-W97 AromaticContact CE2-CZ3 3.53Å; F94-W97 HydrophobicContact CE2-CZ3 3.53Å; F94-W97 HydrophobicContact CZ-CE3 4.25Å; F94-W97 AromaticContact CZ-CZ3 3.97Å; F94-W97 HydrophobicContact CZ-CZ3 3.97Å; F94-W97 PolarHBondContact O-N 2.87Å; F94-L98 HydrophobicContact CE1-CD2 4.4Å; F94-L98 WeakPolarHBondContact O-CB 3.13Å; F94-L98 PolarHBondContact O-N 2.8Å |
| 95 | Q | 93.6 | Very high | 93.4 | Very high | 131 Ų | 131 | 71.6 Ų | 71.6 | 61% | 0.612 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.7 | -35.4 | 178.5 | -66.4 | -58.2 | -43.1 | 0 | 0 | 112.3 | T93 L98 K99 | T93-Q95 VanDerWaalsContact C-N 3.31Å; T93-Q95 PolarHBondContact O-N 3.24Å; Q95-L98 PolarHBondContact O-N 3.41Å; Q95-K99 PolarHBondContact O-N 3.45Å |
| 96 | E | 95.3 | Very high | 93.5 | Very high | 115 Ų | 115 | 71.3 Ų | 71.3 | 54% | 0.537 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.9 | -46.9 | 174.7 | -172.1 | 60.9 | -147.8 | 0 | 0 | 110.7 | T93 F94 L98 K99 | T93-E96 WeakPolarHBondContact O-CB 3.44Å; T93-E96 PolarHBondContact O-N 3.3Å; T93-E96 VanDerWaalsContact O-N 3.09Å; F94-E96 VanDerWaalsContact C-N 3.3Å; F94-E96 PolarHBondContact O-N 3.42Å; E96-L98 PolarHBondContact O-N 2.98Å; E96-K99 WeakPolarHBondContact O-CB 3.23Å; E96-K99 PolarHBondContact O-N 2.71Å; E96-K99 VanDerWaalsContact O-N 3.16Å; E96-K99 IonicContact OE1-NZ 3.73Å; E96-K99 WeakPolarHBondContact OE2-CE 2.96Å; E96-K99 IonicContact OE2-NZ 2.84Å; E96-K99 PolarHBondContact OE2-NZ 3.09Å |
| 97 | W | 95.5 | Very high | 93.9 | Very high | 24 Ų | 24 | 71.8 Ų | 71.8 | 9% | 0.091 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.1 | -32 | 177 | 171.2 | 86.7 | 0 | 0 | 0 | 113.1 | I51 F79 E83 W85 T93 F94 D100 K101 | I51-W97 HydrophobicContact CB-CH2 3.68Å; I51-W97 HydrophobicContact CB-CZ3 4.12Å; I51-W97 HydrophobicContact CG2-CH2 3.85Å; I51-W97 HydrophobicContact CG2-CZ3 3.93Å; F79-W97 HydrophobicContact CD2-CZ2 4.4Å; F79-W97 AromaticContact CE2-CH2 3.98Å; F79-W97 HydrophobicContact CE2-CH2 3.98Å; F79-W97 AromaticContact CE2-CZ2 3.61Å; F79-W97 HydrophobicContact CE2-CZ2 3.61Å; F79-W97 AromaticContact CZ-CH2 3.66Å; F79-W97 HydrophobicContact CZ-CH2 3.66Å; F79-W97 AromaticContact CZ-CZ2 3.77Å; F79-W97 HydrophobicContact CZ-CZ2 3.77Å; E83-W97 PolarHBondContact O-NE1 3.11Å; W85-W97 HydrophobicContact CB-CD2 4.35Å; W85-W97 HydrophobicContact CB-CE3 4.47Å; W85-W97 HydrophobicContact CB-CH2 4.01Å; W85-W97 HydrophobicContact CB-CZ2 3.82Å; W85-W97 HydrophobicContact CB-CZ3 4.32Å; W85-W97 HydrophobicContact CE3-CB 3.89Å; W85-W97 AromaticContact CE3-CD2 3.71Å; W85-W97 HydrophobicContact CE3-CD2 3.71Å; W85-W97 HydrophobicContact CE3-CE3 4.08Å; W85-W97 AromaticContact CE3-CG 3.61Å; W85-W97 HydrophobicContact CE3-CG 3.61Å; W85-W97 HydrophobicContact CZ3-CB 3.74Å; W85-W97 HydrophobicContact CZ3-CD2 4.46Å; W85-W97 AromaticContact CZ3-CG 4Å; W85-W97 HydrophobicContact CZ3-CG 4Å; W85-W97 VanDerWaalsContact N-CZ2 3.3Å; T93-W97 PolarHBondContact O-N 3.04Å; T93-W97 VanDerWaalsContact O-N 3.09Å; F94-W97 AromaticContact CD2-CE3 3.91Å; F94-W97 HydrophobicContact CD2-CE3 3.91Å; F94-W97 HydrophobicContact CD2-CZ3 4.3Å; F94-W97 AromaticContact CE2-CE3 3.61Å; F94-W97 HydrophobicContact CE2-CE3 3.61Å; F94-W97 AromaticContact CE2-CZ3 3.53Å; F94-W97 HydrophobicContact CE2-CZ3 3.53Å; F94-W97 HydrophobicContact CZ-CE3 4.25Å; F94-W97 AromaticContact CZ-CZ3 3.97Å; F94-W97 HydrophobicContact CZ-CZ3 3.97Å; F94-W97 PolarHBondContact O-N 2.87Å; W97-D100 VanDerWaalsContact O-OD1 3.09Å; W97-K101 HydrophobicContact CD2-CD 4.23Å; W97-K101 HydrophobicContact CH2-CD 4.23Å; W97-K101 HydrophobicContact CZ2-CD 3.51Å; W97-K101 PolarHBondContact O-NZ 3.43Å |
| 98 | L | 95.1 | Very high | 94.5 | Very high | 38 Ų | 38 | 75 Ų | 75 | 20% | 0.199 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -76.7 | -22 | -179.2 | -170.3 | 64.9 | 0 | 0 | 0 | 113.3 | F94 Q95 E96 D100 K101 K102 | F94-L98 HydrophobicContact CE1-CD2 4.4Å; F94-L98 WeakPolarHBondContact O-CB 3.13Å; F94-L98 PolarHBondContact O-N 2.8Å; Q95-L98 PolarHBondContact O-N 3.41Å; E96-L98 PolarHBondContact O-N 2.98Å; L98-D100 PolarHBondContact O-N 3.13Å; L98-D100 VanDerWaalsContact O-N 3.09Å; L98-K101 CarbonylContact O-C 3.56Å; L98-K101 PolarHBondContact O-N 2.79Å; L98-K101 VanDerWaalsContact O-N 3.1Å; L98-K102 WeakPolarHBondContact O-CG 3.41Å; L98-K102 PolarHBondContact O-N 2.87Å |
| 99 | K | 94.4 | Very high | 95 | Very high | 125 Ų | 125 | 69.9 Ų | 69.9 | 54% | 0.543 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -34.8 | -172.8 | -79.2 | -179.9 | -179.3 | 171.4 | 0 | 113.5 | Q95 E96 | Q95-K99 PolarHBondContact O-N 3.45Å; E96-K99 WeakPolarHBondContact O-CB 3.23Å; E96-K99 PolarHBondContact O-N 2.71Å; E96-K99 VanDerWaalsContact O-N 3.16Å; E96-K99 IonicContact OE1-NZ 3.73Å; E96-K99 WeakPolarHBondContact OE2-CE 2.96Å; E96-K99 IonicContact OE2-NZ 2.84Å; E96-K99 PolarHBondContact OE2-NZ 3.09Å |
| 100 | D | 93.4 | Very high | 95.5 | Very high | 74 Ų | 74 | 65.9 Ų | 65.9 | 40% | 0.396 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 14.9 | -175.3 | 78.1 | -32.1 | 0 | 0 | 0 | 113.1 | K82 W97 L98 | K82-D100 VanDerWaalsContact CD-OD2 3.31Å; K82-D100 WeakPolarHBondContact CD-OD2 3.36Å; K82-D100 WeakPolarHBondContact CE-OD2 3.44Å; K82-D100 VanDerWaalsContact NZ-CG 3.35Å; K82-D100 PolarHBondContact NZ-O 2.66Å; K82-D100 IonicContact NZ-OD2 2.82Å; K82-D100 PolarHBondContact NZ-OD2 3.36Å; W97-D100 VanDerWaalsContact O-OD1 3.09Å; L98-D100 PolarHBondContact O-N 3.13Å; L98-D100 VanDerWaalsContact O-N 3.09Å |
| 101 | K | 95.8 | Very high | 95.8 | Very high | 16 Ų | 16 | 64.9 Ų | 64.9 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -139.9 | 44.6 | 177.8 | -65.9 | 170.1 | -157.2 | 67.2 | 0 | 109.7 | F79 K82 E83 W97 L98 W133 | F79-K101 HydrophobicContact CD1-CB 3.98Å; F79-K101 HydrophobicContact CD1-CD 3.99Å; F79-K101 HydrophobicContact CD1-CG 3.88Å; F79-K101 HydrophobicContact CD2-CD 4.08Å; F79-K101 HydrophobicContact CE1-CB 3.94Å; F79-K101 HydrophobicContact CE1-CD 4.2Å; F79-K101 HydrophobicContact CE1-CG 4.25Å; F79-K101 HydrophobicContact CE2-CD 4.29Å; F79-K101 HydrophobicContact CG-CD 3.95Å; F79-K101 HydrophobicContact CG-CG 4.2Å; F79-K101 HydrophobicContact CZ-CD 4.36Å; K82-K101 HydrophobicContact CD-CG 4.33Å; E83-K101 VanDerWaalsContact O-CE 3.27Å; E83-K101 WeakPolarHBondContact O-CE 3.41Å; W97-K101 HydrophobicContact CD2-CD 4.23Å; W97-K101 HydrophobicContact CH2-CD 4.23Å; W97-K101 HydrophobicContact CZ2-CD 3.51Å; W97-K101 PolarHBondContact O-NZ 3.43Å; L98-K101 CarbonylContact O-C 3.56Å; L98-K101 PolarHBondContact O-N 2.79Å; L98-K101 VanDerWaalsContact O-N 3.1Å; K101-W133 WeakPolarHBondContact O-CZ2 3.19Å; K101-W133 PolarHBondContact O-NE1 3.03Å |
| 102 | K | 96.8 | Very high | 96.2 | Very high | 103 Ų | 103 | 60.4 Ų | 60.4 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | trans | -72.6 | 135.5 | -179.2 | -66.4 | -178.5 | -176.7 | 176.1 | 0 | 109.4 | L98 T104 D105 | L98-K102 WeakPolarHBondContact O-CG 3.41Å; L98-K102 PolarHBondContact O-N 2.87Å; K102-T104 PolarHBondContact O-N 3.35Å; K102-T104 VanDerWaalsContact O-N 3.09Å; K102-D105 HydrophobicContact CB-CB 4Å; K102-D105 PolarHBondContact O-N 3.46Å | ||
| 103 | P | 97.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 10% | 0.104 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -13.1 | 177.4 | 28.1 | -33.4 | 0 | 0 | 0 | 113 | W133 V136 A137 | P103-W133 HydrophobicContact CB-CD2 3.89Å; P103-W133 HydrophobicContact CB-CE3 4.47Å; P103-W133 HydrophobicContact CB-CG 4.21Å; P103-W133 HydrophobicContact CB-CZ2 3.97Å; P103-W133 WeakPolarHBondContact CB-O 3.42Å; P103-V136 HydrophobicContact CB-CB 3.94Å; P103-V136 HydrophobicContact CB-CG1 3.96Å; P103-V136 HydrophobicContact CG-CB 3.8Å; P103-V136 HydrophobicContact CG-CG1 3.49Å; P103-V136 VanDerWaalsContact CG-CG1 3.49Å; P103-A137 HydrophobicContact CB-CB 4.04Å |
| 104 | T | 96.9 | Very high | 96.7 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 17% | 0.166 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 9.2 | 177.2 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | K102 Y140 V158 E160 | K102-T104 PolarHBondContact O-N 3.35Å; K102-T104 VanDerWaalsContact O-N 3.09Å; T104-Y140 HydrophobicContact CG2-CD1 4.14Å; T104-Y140 HydrophobicContact CG2-CD2 3.56Å; T104-Y140 HydrophobicContact CG2-CE2 4.13Å; T104-Y140 HydrophobicContact CG2-CG 3.55Å; T104-Y140 WeakPolarHBondContact O-CE1 3.44Å; T104-Y140 VanDerWaalsContact O-CZ 3.23Å; T104-Y140 PolarHBondContact O-OH 3.11Å; T104-Y140 VanDerWaalsContact O-OH 3.13Å; T104-V158 HydrophobicContact CG2-CG2 4.38Å; T104-E160 WeakPolarHBondContact CB-OE1 3.42Å; T104-E160 WeakPolarHBondContact CG2-OE1 3.44Å; T104-E160 PolarHBondContact OG1-OE1 3.44Å |
| 105 | D | 96.9 | Very high | 96.9 | Very high | 116 Ų | 116 | 56 Ų | 56 | 62% | 0.62 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -126.1 | 62.4 | 175 | -169.3 | 19.7 | 0 | 0 | 0 | 110.1 | K102 | K102-D105 HydrophobicContact CB-CB 4Å; K102-D105 PolarHBondContact O-N 3.46Å |
| 106 | I | 97.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | trans | -134.1 | 8.3 | -175.6 | 61.5 | 167.8 | 0 | 0 | 0 | 112.9 | F78 K108 E109 V110 W133 A137 L141 | F78-I106 HydrophobicContact CB-CG2 4.4Å; F78-I106 HydrophobicContact CD1-CB 3.93Å; F78-I106 HydrophobicContact CD1-CD1 4.2Å; F78-I106 HydrophobicContact CD1-CG2 4.14Å; F78-I106 HydrophobicContact CE1-CB 4.35Å; F78-I106 HydrophobicContact CE1-CD1 4.12Å; I106-K108 VanDerWaalsContact C-N 3.29Å; I106-K108 PolarHBondContact O-N 3.06Å; I106-E109 PolarHBondContact O-N 3.04Å; I106-E109 VanDerWaalsContact O-N 3.11Å; I106-V110 HydrophobicContact CD1-CG2 3.84Å; I106-V110 HydrophobicContact CG1-CG2 3.99Å; I106-V110 WeakPolarHBondContact O-CG2 3.36Å; I106-V110 PolarHBondContact O-N 2.77Å; I106-W133 HydrophobicContact CG2-CH2 3.72Å; I106-W133 HydrophobicContact CG2-CZ2 4.17Å; I106-A137 HydrophobicContact CD1-CB 3.73Å; I106-L141 HydrophobicContact CD1-CD1 4.48Å; I106-L141 HydrophobicContact CD1-CD2 4.24Å; I106-L141 HydrophobicContact CG1-CD2 4.49Å | ||
| 107 | N | 98.3 | Very high | 97.3 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.3 | -41.7 | -169.1 | -68.7 | 62.1 | 0 | 0 | 0 | 111.9 | E109 V110 D111 Y140 Y145 | N107-E109 VanDerWaalsContact C-N 3.31Å; N107-E109 PolarHBondContact O-N 3.37Å; N107-V110 PolarHBondContact O-N 2.88Å; N107-D111 PolarHBondContact O-N 2.74Å; N107-Y140 PolarHBondContact ND2-OH 2.82Å; N107-Y140 VanDerWaalsContact OD1-CE1 3.31Å; N107-Y140 WeakPolarHBondContact OD1-CE1 3.45Å; N107-Y140 PolarHBondContact OD1-OH 3.2Å; N107-Y145 WeakPolarHBondContact CA-OH 3.43Å; N107-Y145 WeakPolarHBondContact CB-OH 3.49Å; N107-Y145 PolarHBondContact ND2-OH 2.9Å; N107-Y145 PolarHBondContact O-OH 3.35Å |
| 108 | K | 98.3 | Very high | 97.5 | Very high | 127 Ų | 127 | 49.4 Ų | 49.4 | 55% | 0.552 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.7 | -43.7 | 178.1 | -175.7 | -168.8 | 175.1 | -161.1 | 0 | 111.3 | H29 I106 V112 | H29-K108 VanDerWaalsContact CE1-CE 3.49Å; H29-K108 WeakPolarHBondContact CE1-CE 3.45Å; I106-K108 VanDerWaalsContact C-N 3.29Å; I106-K108 PolarHBondContact O-N 3.06Å; K108-V112 PolarHBondContact O-N 2.9Å |
| 109 | E | 98.5 | Very high | 97.6 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.8 | -38.8 | 179.2 | -69.6 | 62.6 | -133.7 | 0 | 0 | 111.1 | H29 I30 F78 V80 I106 N107 V112 V113 | H29-E109 IonicContact CD2-OE1 3.65Å; H29-E109 IonicContact CE1-OE1 3.79Å; H29-E109 IonicContact NE2-OE1 2.95Å; H29-E109 PolarHBondContact NE2-OE1 2.85Å; I30-E109 HydrophobicContact CG2-CB 4.32Å; I30-E109 HydrophobicContact CG2-CG 3.62Å; F78-E109 HydrophobicContact CD1-CB 3.73Å; F78-E109 HydrophobicContact CE1-CB 3.92Å; V80-E109 HydrophobicContact CG2-CG 3.72Å; I106-E109 PolarHBondContact O-N 3.04Å; I106-E109 VanDerWaalsContact O-N 3.11Å; N107-E109 VanDerWaalsContact C-N 3.31Å; N107-E109 PolarHBondContact O-N 3.37Å; E109-V112 WeakPolarHBondContact O-CG2 2.99Å; E109-V113 WeakPolarHBondContact O-CG2 3.28Å; E109-V113 PolarHBondContact O-N 3.11Å; E109-V113 VanDerWaalsContact O-N 3.14Å |
| 110 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.1 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | F78 I106 N107 V112 V113 L114 L141 Y145 | F78-V110 HydrophobicContact CE1-CG2 3.66Å; F78-V110 HydrophobicContact CZ-CG2 4.09Å; I106-V110 HydrophobicContact CD1-CG2 3.84Å; I106-V110 HydrophobicContact CG1-CG2 3.99Å; I106-V110 WeakPolarHBondContact O-CG2 3.36Å; I106-V110 PolarHBondContact O-N 2.77Å; N107-V110 PolarHBondContact O-N 2.88Å; V110-V112 VanDerWaalsContact C-N 3.34Å; V110-V112 PolarHBondContact O-N 2.9Å; V110-V113 PolarHBondContact O-N 3.01Å; V110-L114 HydrophobicContact CG1-CD1 3.81Å; V110-L114 HydrophobicContact CG1-CG 4.09Å; V110-L114 WeakPolarHBondContact O-CB 3.37Å; V110-L114 WeakPolarHBondContact O-CG 3.39Å; V110-L114 PolarHBondContact O-N 3.44Å; V110-L141 HydrophobicContact CB-CD2 4.43Å; V110-L141 HydrophobicContact CG1-CD1 4.27Å; V110-L141 HydrophobicContact CG1-CD2 4.22Å; V110-L141 HydrophobicContact CG2-CD1 3.8Å; V110-L141 HydrophobicContact CG2-CD2 3.78Å; V110-L141 HydrophobicContact CG2-CG 4.43Å; V110-Y145 HydrophobicContact CG1-CD1 4.25Å; V110-Y145 HydrophobicContact CG1-CD2 4.46Å; V110-Y145 HydrophobicContact CG1-CE1 3.85Å; V110-Y145 HydrophobicContact CG1-CE2 4.1Å |
| 111 | D | 98.6 | Very high | 97.8 | Very high | 83 Ų | 83 | 50.9 Ų | 50.9 | 44% | 0.444 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.6 | -43.9 | -178.6 | -67.3 | -9.1 | 0 | 0 | 0 | 111.5 | N107 L114 K115 Y145 | N107-D111 PolarHBondContact O-N 2.74Å; D111-L114 PolarHBondContact O-N 2.83Å; D111-K115 WeakPolarHBondContact O-CB 3.35Å; D111-K115 PolarHBondContact O-N 3.2Å; D111-Y145 WeakPolarHBondContact OD1-CE1 3.18Å; D111-Y145 PolarHBondContact OD1-OH 3.2Å |
| 112 | V | 98.6 | Very high | 97.9 | Very high | 14 Ų | 14 | 52.1 Ų | 52.1 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.9 | -36 | 177.7 | -58.2 | 0 | 0 | 0 | 0 | 112 | I27 E28 I30 K108 E109 V110 K115 Y116 | I27-V112 HydrophobicContact CG2-CB 4.5Å; I27-V112 HydrophobicContact CG2-CG2 4.48Å; E28-V112 HydrophobicContact CB-CG1 4.48Å; E28-V112 VanDerWaalsContact OE2-CG1 3.3Å; E28-V112 WeakPolarHBondContact OE2-CG1 3.47Å; I30-V112 HydrophobicContact CD1-CG2 3.7Å; I30-V112 HydrophobicContact CG1-CG2 4.06Å; K108-V112 PolarHBondContact O-N 2.9Å; E109-V112 WeakPolarHBondContact O-CG2 2.99Å; V110-V112 VanDerWaalsContact C-N 3.34Å; V110-V112 PolarHBondContact O-N 2.9Å; V112-K115 PolarHBondContact O-N 2.99Å; V112-Y116 WeakPolarHBondContact O-CB 3.1Å; V112-Y116 PolarHBondContact O-N 3.46Å |
| 113 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -45 | 174.8 | 174.8 | 0 | 0 | 0 | 0 | 111 | I30 I46 V74 P76 E109 V110 K115 Y116 L117 | I30-V113 HydrophobicContact CD1-CG2 3.42Å; I30-V113 VanDerWaalsContact CD1-CG2 3.42Å; I46-V113 HydrophobicContact CD1-CG1 3.74Å; I46-V113 HydrophobicContact CG1-CG1 3.84Å; I46-V113 HydrophobicContact CG2-CG1 4.37Å; V74-V113 HydrophobicContact CG1-CG1 3.76Å; V74-V113 HydrophobicContact CG2-CG1 4.5Å; P76-V113 HydrophobicContact CB-CG2 3.82Å; P76-V113 HydrophobicContact CG-CB 4.5Å; P76-V113 HydrophobicContact CG-CG1 4.13Å; P76-V113 HydrophobicContact CG-CG2 3.58Å; E109-V113 WeakPolarHBondContact O-CG2 3.28Å; E109-V113 PolarHBondContact O-N 3.11Å; E109-V113 VanDerWaalsContact O-N 3.14Å; V110-V113 PolarHBondContact O-N 3.01Å; V113-K115 VanDerWaalsContact C-N 3.32Å; V113-K115 PolarHBondContact O-N 2.91Å; V113-Y116 PolarHBondContact O-N 3.23Å; V113-L117 HydrophobicContact CG1-CD1 4.07Å; V113-L117 HydrophobicContact CG1-CG 4.29Å; V113-L117 WeakPolarHBondContact O-CB 3.47Å; V113-L117 WeakPolarHBondContact O-CG 3.42Å; V113-L117 PolarHBondContact O-N 3.05Å |
| 114 | L | 98.7 | Very high | 98 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 178 | -74.8 | 175 | 0 | 0 | 0 | 111.4 | I46 V110 D111 L117 K118 I126 Y145 E147 I148 | I46-L114 HydrophobicContact CD1-CD2 4.1Å; V110-L114 HydrophobicContact CG1-CD1 3.81Å; V110-L114 HydrophobicContact CG1-CG 4.09Å; V110-L114 WeakPolarHBondContact O-CB 3.37Å; V110-L114 WeakPolarHBondContact O-CG 3.39Å; V110-L114 PolarHBondContact O-N 3.44Å; D111-L114 PolarHBondContact O-N 2.83Å; L114-L117 PolarHBondContact O-N 3.43Å; L114-K118 VanDerWaalsContact O-CG 3.28Å; L114-K118 WeakPolarHBondContact O-CG 3.43Å; L114-K118 PolarHBondContact O-N 3.05Å; L114-I126 HydrophobicContact CD2-CB 4.47Å; L114-I126 HydrophobicContact CD2-CD1 3.73Å; L114-I126 HydrophobicContact CD2-CG2 3.99Å; L114-Y145 HydrophobicContact CD1-CD1 3.67Å; L114-Y145 HydrophobicContact CD1-CE1 3.91Å; L114-E147 HydrophobicContact CD1-CB 4.34Å; L114-E147 HydrophobicContact CD2-CB 4.46Å; L114-I148 HydrophobicContact CD2-CD1 3.89Å |
| 115 | K | 98.6 | Very high | 98.1 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 39% | 0.391 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 174.9 | -177.6 | -174.9 | 168.2 | -161.5 | 0 | 111.2 | E28 D111 V112 V113 L117 K118 E119 | E28-K115 IonicContact OE1-NZ 2.96Å; E28-K115 PolarHBondContact OE1-NZ 3.12Å; D111-K115 WeakPolarHBondContact O-CB 3.35Å; D111-K115 PolarHBondContact O-N 3.2Å; V112-K115 PolarHBondContact O-N 2.99Å; V113-K115 VanDerWaalsContact C-N 3.32Å; V113-K115 PolarHBondContact O-N 2.91Å; K115-L117 PolarHBondContact O-N 3.35Å; K115-K118 PolarHBondContact O-N 3.4Å; K115-E119 VanDerWaalsContact CE-OE2 3.32Å; K115-E119 WeakPolarHBondContact CE-OE2 3.45Å; K115-E119 HydrophobicContact CG-CG 4.3Å; K115-E119 WeakPolarHBondContact CG-OE1 3.08Å; K115-E119 WeakPolarHBondContact O-CB 3.28Å; K115-E119 WeakPolarHBondContact O-CG 3.38Å; K115-E119 PolarHBondContact O-N 3.2Å |
| 116 | Y | 98.6 | Very high | 98.2 | Very high | 40 Ų | 40 | 52.8 Ų | 52.8 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.8 | -48.2 | 176.5 | 172.9 | -95.8 | 0 | 0 | 0 | 112.2 | I27 V34 V112 V113 K118 Q120 C121 | I27-Y116 HydrophobicContact CD1-CD1 3.57Å; I27-Y116 HydrophobicContact CD1-CD2 4.19Å; I27-Y116 HydrophobicContact CD1-CE1 3.88Å; I27-Y116 HydrophobicContact CD1-CE2 4.45Å; I27-Y116 HydrophobicContact CD1-CG 3.74Å; I27-Y116 HydrophobicContact CG1-CD1 4.21Å; I27-Y116 HydrophobicContact CG1-CD2 3.9Å; I27-Y116 HydrophobicContact CG1-CE1 4.43Å; I27-Y116 HydrophobicContact CG1-CE2 4.13Å; I27-Y116 HydrophobicContact CG1-CG 3.94Å; I27-Y116 HydrophobicContact CG2-CD2 4.18Å; I27-Y116 HydrophobicContact CG2-CG 3.99Å; V34-Y116 HydrophobicContact CG2-CE1 4.1Å; V112-Y116 WeakPolarHBondContact O-CB 3.1Å; V112-Y116 PolarHBondContact O-N 3.46Å; V113-Y116 PolarHBondContact O-N 3.23Å; Y116-K118 VanDerWaalsContact C-N 3.34Å; Y116-K118 PolarHBondContact O-N 2.89Å; Y116-Q120 HydrophobicContact CD2-CB 3.86Å; Y116-Q120 HydrophobicContact CD2-CG 3.79Å; Y116-Q120 HydrophobicContact CE2-CB 3.85Å; Y116-Q120 HydrophobicContact CE2-CG 4.13Å; Y116-Q120 HydrophobicContact CG-CB 4.47Å; Y116-Q120 WeakPolarHBondContact O-CA 3.27Å; Y116-Q120 VanDerWaalsContact O-CB 3.3Å; Y116-Q120 WeakPolarHBondContact O-CB 3.3Å; Y116-Q120 PolarHBondContact O-N 3.35Å; Y116-C121 WeakPolarHBondContact CE1-SG 3.25Å; Y116-C121 PolarHBondContact O-N 3.03Å |
| 117 | L | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 179.5 | -74.1 | 177.9 | 0 | 0 | 0 | 112 | A44 I46 T72 V74 V113 L114 K115 C121 G122 A123 I126 | A44-L117 HydrophobicContact CB-CD1 3.95Å; A44-L117 HydrophobicContact CB-CD2 3.76Å; A44-L117 HydrophobicContact CB-CG 4.3Å; I46-L117 HydrophobicContact CD1-CD1 4.19Å; I46-L117 HydrophobicContact CG1-CD1 3.71Å; T72-L117 HydrophobicContact CG2-CD2 4.38Å; V74-L117 HydrophobicContact CB-CD2 4.32Å; V74-L117 HydrophobicContact CG1-CD1 3.88Å; V74-L117 HydrophobicContact CG1-CD2 3.79Å; V74-L117 HydrophobicContact CG1-CG 4.09Å; V113-L117 HydrophobicContact CG1-CD1 4.07Å; V113-L117 HydrophobicContact CG1-CG 4.29Å; V113-L117 WeakPolarHBondContact O-CB 3.47Å; V113-L117 WeakPolarHBondContact O-CG 3.42Å; V113-L117 PolarHBondContact O-N 3.05Å; L114-L117 PolarHBondContact O-N 3.43Å; K115-L117 PolarHBondContact O-N 3.35Å; L117-C121 HydrophobicContact CD2-CB 4.42Å; L117-C121 CarbonylContact O-C 3.48Å; L117-C121 WeakPolarHBondContact O-CA 3.3Å; L117-C121 VanDerWaalsContact O-CB 3.29Å; L117-C121 WeakPolarHBondContact O-CB 3.41Å; L117-C121 PolarHBondContact O-N 3.49Å; L117-G122 PolarHBondContact O-N 3.45Å; L117-G122 VanDerWaalsContact O-N 3.15Å; L117-A123 HydrophobicContact CB-CB 4.05Å; L117-A123 VanDerWaalsContact O-CB 3.26Å; L117-A123 WeakPolarHBondContact O-CB 3.01Å; L117-A123 PolarHBondContact O-N 2.87Å; L117-I126 HydrophobicContact CB-CD1 3.92Å; L117-I126 HydrophobicContact CD1-CD1 4.11Å; L117-I126 HydrophobicContact CD1-CG1 4.41Å; L117-I126 HydrophobicContact CD1-CG2 3.87Å |
| 118 | K | 98.3 | Very high | 98.3 | Very high | 91 Ų | 91 | 50.5 Ų | 50.5 | 40% | 0.396 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70 | -49.7 | 179.8 | -71.1 | 169.8 | -178.6 | 175.4 | 0 | 112.3 | L114 K115 Y116 G122 I126 | L114-K118 VanDerWaalsContact O-CG 3.28Å; L114-K118 WeakPolarHBondContact O-CG 3.43Å; L114-K118 PolarHBondContact O-N 3.05Å; K115-K118 PolarHBondContact O-N 3.4Å; Y116-K118 VanDerWaalsContact C-N 3.34Å; Y116-K118 PolarHBondContact O-N 2.89Å; K118-G122 WeakPolarHBondContact O-CA 3.42Å; K118-G122 PolarHBondContact O-N 3.25Å; K118-I126 HydrophobicContact CG-CD1 4.14Å |
| 119 | E | 97.9 | Very high | 98.3 | Very high | 124 Ų | 124 | 44.4 Ų | 44.4 | 58% | 0.579 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -84.3 | -41.3 | -169.5 | -65.3 | 178.6 | -179.5 | 0 | 0 | 112.8 | K115 | K115-E119 VanDerWaalsContact CE-OE2 3.32Å; K115-E119 WeakPolarHBondContact CE-OE2 3.45Å; K115-E119 HydrophobicContact CG-CG 4.3Å; K115-E119 WeakPolarHBondContact CG-OE1 3.08Å; K115-E119 WeakPolarHBondContact O-CB 3.28Å; K115-E119 WeakPolarHBondContact O-CG 3.38Å; K115-E119 PolarHBondContact O-N 3.2Å |
| 120 | Q | 96.8 | Very high | 98.3 | Very high | 127 Ų | 127 | 43.4 Ų | 43.4 | 59% | 0.593 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -28.4 | -172.3 | -53.3 | -59.1 | -40 | 0 | 0 | 112.7 | Y116 | Y116-Q120 HydrophobicContact CD2-CB 3.86Å; Y116-Q120 HydrophobicContact CD2-CG 3.79Å; Y116-Q120 HydrophobicContact CE2-CB 3.85Å; Y116-Q120 HydrophobicContact CE2-CG 4.13Å; Y116-Q120 HydrophobicContact CG-CB 4.47Å; Y116-Q120 WeakPolarHBondContact O-CA 3.27Å; Y116-Q120 VanDerWaalsContact O-CB 3.3Å; Y116-Q120 WeakPolarHBondContact O-CB 3.3Å; Y116-Q120 PolarHBondContact O-N 3.35Å |
| 121 | C | 96.3 | Very high | 98.3 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 12% | 0.122 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -104 | -8.9 | 178.1 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | T72 Y116 L117 A123 | T72-C121 HydrophobicContact CG2-CB 4.19Å; Y116-C121 WeakPolarHBondContact CE1-SG 3.25Å; Y116-C121 PolarHBondContact O-N 3.03Å; L117-C121 HydrophobicContact CD2-CB 4.42Å; L117-C121 CarbonylContact O-C 3.48Å; L117-C121 WeakPolarHBondContact O-CA 3.3Å; L117-C121 VanDerWaalsContact O-CB 3.29Å; L117-C121 WeakPolarHBondContact O-CB 3.41Å; L117-C121 PolarHBondContact O-N 3.49Å; C121-A123 VanDerWaalsContact C-N 3.26Å; C121-A123 PolarHBondContact O-N 2.81Å |
| 122 | G | 97.3 | Very high | 98.2 | Very high | 41 Ų | 41 | 40.5 Ų | 40.5 | 42% | 0.423 | 20% | 0.196 | S | C | . | . | trans | 69 | 21.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L117 K118 K124 | L117-G122 PolarHBondContact O-N 3.45Å; L117-G122 VanDerWaalsContact O-N 3.15Å; K118-G122 WeakPolarHBondContact O-CA 3.42Å; K118-G122 PolarHBondContact O-N 3.25Å; G122-K124 PolarHBondContact O-N 3.18Å | ||
| 123 | A | 98.1 | Very high | 98.2 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 7% | 0.066 | 19% | 0.194 | C | C | . | . | trans | -69.1 | 128.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D42 A44 L117 C121 I126 | D42-A123 CarbonylContact O-C 3.58Å; D42-A123 WeakPolarHBondContact O-CA 3.46Å; A44-A123 HydrophobicContact CB-CB 3.63Å; L117-A123 HydrophobicContact CB-CB 4.05Å; L117-A123 VanDerWaalsContact O-CB 3.26Å; L117-A123 WeakPolarHBondContact O-CB 3.01Å; L117-A123 PolarHBondContact O-N 2.87Å; C121-A123 VanDerWaalsContact C-N 3.26Å; C121-A123 PolarHBondContact O-N 2.81Å; A123-I126 HydrophobicContact CB-CD1 4.34Å; A123-I126 HydrophobicContact CB-CG1 4.05Å | ||
| 124 | K | 98.1 | Very high | 98.2 | Very high | 165 Ų | 165 | 40.3 Ų | 40.3 | 72% | 0.717 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -105.3 | -28.4 | 174.8 | -63.4 | -179 | -175.5 | 174.1 | 0 | 112.3 | D42 G122 | D42-K124 HydrophobicContact CB-CB 4.23Å; D42-K124 HydrophobicContact CB-CD 4.17Å; D42-K124 HydrophobicContact CB-CG 4.13Å; D42-K124 PolarHBondContact O-N 3.01Å; G122-K124 PolarHBondContact O-N 3.18Å |
| 125 | R | 98.4 | Very high | 98.2 | Very high | 99 Ų | 99 | 40 Ų | 40 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 120.2 | 178.3 | -69 | 173.6 | -69.6 | -141.6 | -3.4 | 108.8 | D42 K43 A44 I245 | D42-R125 PolarHBondContact O-N 3.11Å; D42-R125 VanDerWaalsContact O-N 3.15Å; D42-R125 IonicContact OD1-CZ 2.76Å; D42-R125 IonicContact OD1-NE 3.55Å; D42-R125 IonicContact OD1-NH2 3.24Å; D42-R125 PolarHBondContact OD1-NH2 2.88Å; D42-R125 IonicContact OD2-CZ 2.77Å; D42-R125 IonicContact OD2-NH2 2.69Å; D42-R125 PolarHBondContact OD2-NH2 3.4Å; K43-R125 CarbonylContact C-O 3.57Å; K43-R125 WeakPolarHBondContact CA-O 3.41Å; A44-R125 PolarHBondContact N-O 3.14Å; R125-I245 HydrophobicContact CB-CB 4.02Å; R125-I245 HydrophobicContact CB-CG2 4.19Å; R125-I245 WeakPolarHBondContact CD-O 3.4Å; R125-I245 PolarHBondContact NE-O 3.38Å |
| 126 | I | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.2 | -175 | -56.5 | 176.1 | 0 | 0 | 0 | 108.5 | A44 I46 L114 L117 K118 A123 I148 K149 | A44-I126 HydrophobicContact CB-CG1 4.45Å; A44-I126 CarbonylContact O-C 3.55Å; A44-I126 VanDerWaalsContact O-CA 3.32Å; A44-I126 WeakPolarHBondContact O-CA 3.26Å; I46-I126 HydrophobicContact CD1-CG2 4.16Å; I46-I126 HydrophobicContact CG1-CG2 4.14Å; L114-I126 HydrophobicContact CD2-CB 4.47Å; L114-I126 HydrophobicContact CD2-CD1 3.73Å; L114-I126 HydrophobicContact CD2-CG2 3.99Å; L117-I126 HydrophobicContact CB-CD1 3.92Å; L117-I126 HydrophobicContact CD1-CD1 4.11Å; L117-I126 HydrophobicContact CD1-CG1 4.41Å; L117-I126 HydrophobicContact CD1-CG2 3.87Å; K118-I126 HydrophobicContact CG-CD1 4.14Å; A123-I126 HydrophobicContact CB-CD1 4.34Å; A123-I126 HydrophobicContact CB-CG1 4.05Å; I126-I148 HydrophobicContact CB-CD1 4.5Å; I126-I148 HydrophobicContact CG2-CD1 3.88Å; I126-I148 WeakPolarHBondContact O-CA 3.31Å; I126-K149 PolarHBondContact O-N 2.76Å |
| 127 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 171.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A44 V45 I46 A150 | A44-G127 PolarHBondContact O-N 3.03Å; V45-G127 WeakPolarHBondContact CA-O 3.44Å; I46-G127 PolarHBondContact N-O 3.44Å; G127-A150 CarbonylContact C-O 3.49Å; G127-A150 WeakPolarHBondContact CA-O 3.34Å |
| 128 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 141.8 | 171.5 | 52.5 | 0 | 0 | 0 | 0 | 110 | I46 T138 L141 I148 A150 G151 V152 | I46-T128 HydrophobicContact CB-CG2 4.06Å; I46-T128 HydrophobicContact CD1-CG2 4.35Å; I46-T128 WeakPolarHBondContact O-CA 3.48Å; T128-T138 WeakPolarHBondContact OG1-CG2 3.46Å; T128-L141 HydrophobicContact CG2-CD1 3.95Å; T128-I148 HydrophobicContact CG2-CD1 3.69Å; T128-I148 HydrophobicContact CG2-CG1 4.13Å; T128-I148 HydrophobicContact CG2-CG2 4.09Å; T128-A150 PolarHBondContact N-O 3.39Å; T128-G151 CarbonylContact O-C 3.53Å; T128-G151 WeakPolarHBondContact O-CA 3.36Å; T128-V152 PolarHBondContact O-N 3.5Å |
| 129 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 128.4 | 169.3 | 173.5 | 0 | 0 | 0 | 0 | 106.4 | V45 I46 V47 I48 L66 F131 V152 M237 L241 | V45-V129 HydrophobicContact CG1-CB 4.1Å; V45-V129 HydrophobicContact CG1-CG2 3.65Å; I46-V129 PolarHBondContact O-N 2.85Å; V47-V129 CarbonylContact C-O 3.51Å; V47-V129 WeakPolarHBondContact CA-O 3.41Å; I48-V129 PolarHBondContact N-O 3.21Å; L66-V129 HydrophobicContact CD1-CG2 4.33Å; V129-F131 HydrophobicContact CG1-CE1 4.14Å; V129-F131 HydrophobicContact CG1-CE2 3.96Å; V129-F131 HydrophobicContact CG1-CZ 3.59Å; V129-V152 WeakPolarHBondContact CA-O 3.43Å; V129-V152 HydrophobicContact CG2-CB 4.09Å; V129-V152 HydrophobicContact CG2-CG2 4.28Å; V129-M237 HydrophobicContact CB-SD 4.31Å; V129-M237 HydrophobicContact CG1-CG 4.44Å; V129-M237 HydrophobicContact CG1-SD 3.4Å; V129-M237 WeakPolarHBondContact CG1-SD 3.21Å; V129-M237 HydrophobicContact CG2-CG 4.1Å; V129-M237 HydrophobicContact CG2-SD 3.9Å; V129-L241 HydrophobicContact CG2-CD1 3.83Å; V129-L241 HydrophobicContact CG2-CD2 4.35Å |
| 130 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 144.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G134 G135 T138 V152 V154 | G130-G134 VanDerWaalsContact C-C 3.4Å; G130-G134 WeakPolarHBondContact CA-O 3.39Å; G130-G135 WeakPolarHBondContact O-CA 3.2Å; G130-G135 PolarHBondContact O-N 2.92Å; G130-T138 WeakPolarHBondContact CA-OG1 3.34Å; G130-T138 PolarHBondContact N-OG1 2.87Å; G130-T138 VanDerWaalsContact N-OG1 3.15Å; G130-V152 PolarHBondContact N-O 3.24Å; G130-V154 WeakPolarHBondContact O-CB 3.43Å; G130-V154 WeakPolarHBondContact O-CG2 3.2Å; G130-V154 PolarHBondContact O-N 2.63Å |
| 131 | F | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.9 | -174.7 | -55.2 | -74.1 | 0 | 0 | 0 | 110.6 | V47 I48 D50 M62 V129 W133 G134 V154 Y155 V215 H216 | V47-F131 HydrophobicContact CG1-CE2 3.97Å; I48-F131 PolarHBondContact O-N 3.23Å; D50-F131 WeakPolarHBondContact CA-O 3.38Å; D50-F131 WeakPolarHBondContact CB-O 3.45Å; M62-F131 HydrophobicContact CB-CE2 3.94Å; M62-F131 HydrophobicContact CB-CZ 3.86Å; M62-F131 HydrophobicContact CE-CE1 4.48Å; M62-F131 HydrophobicContact CE-CZ 4.02Å; M62-F131 HydrophobicContact CG-CE1 4.44Å; M62-F131 HydrophobicContact CG-CE2 3.96Å; M62-F131 HydrophobicContact CG-CZ 3.64Å; V129-F131 HydrophobicContact CG1-CE1 4.14Å; V129-F131 HydrophobicContact CG1-CE2 3.96Å; V129-F131 HydrophobicContact CG1-CZ 3.59Å; F131-W133 PolarHBondContact O-N 3.09Å; F131-G134 WeakPolarHBondContact O-CA 3.46Å; F131-G134 PolarHBondContact O-N 3.05Å; F131-V154 HydrophobicContact CD1-CB 3.75Å; F131-V154 HydrophobicContact CD1-CG1 4.15Å; F131-V154 HydrophobicContact CD1-CG2 3.8Å; F131-V154 HydrophobicContact CE1-CB 4.26Å; F131-V154 HydrophobicContact CE1-CG2 3.82Å; F131-Y155 HydrophobicContact CB-CE2 3.97Å; F131-Y155 WeakPolarHBondContact CB-OH 3.32Å; F131-Y155 WeakPolarHBondContact CD1-OH 3.43Å; F131-V215 HydrophobicContact CE1-CG1 4.05Å; F131-H216 HydrophobicContact CD1-CB 4.11Å; F131-H216 AromaticContact CD1-CG 3.94Å; F131-H216 HydrophobicContact CE1-CB 4.07Å; F131-H216 HydrophobicContact CG-CB 4.36Å; F131-H216 AromaticContact CG-CD2 3.86Å; F131-H216 AromaticContact CG-CG 3.88Å; F131-H216 HydrophobicContact CZ-CB 4.31Å |
| 132 | C | 97.6 | Very high | 98.5 | Very high | 23 Ų | 23 | 18.7 Ų | 18.7 | 16% | 0.155 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | -109.9 | 176.3 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | D50 G134 G135 V136 V154 Y155 H212 | D50-C132 HydrophobicContact CB-CB 3.8Å; C132-G134 PolarHBondContact O-N 3.19Å; C132-G135 WeakPolarHBondContact O-CA 3.48Å; C132-G135 PolarHBondContact O-N 2.67Å; C132-V136 PolarHBondContact O-N 2.74Å; C132-V154 PolarHBondContact N-O 3.12Å; C132-Y155 VanDerWaalsContact CA-CD2 3.46Å; C132-Y155 WeakPolarHBondContact CA-O 3.18Å; C132-Y155 HydrophobicContact CB-CD2 3.7Å; C132-Y155 HydrophobicContact CB-CE2 3.66Å; C132-H212 WeakPolarHBondContact CB-NE2 3.27Å; C132-H212 PolarHBondContact SG-NE2 3.5Å |
| 133 | W | 98.4 | Very high | 98.5 | Very high | 10 Ų | 10 | 17 Ų | 17 | 4% | 0.038 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -51.7 | -44.6 | 169.1 | -176.3 | 97 | 0 | 0 | 0 | 111.1 | I48 I51 F78 F79 K101 P103 I106 F131 G135 V136 A137 | I48-W133 HydrophobicContact CG2-CE3 4.07Å; I48-W133 HydrophobicContact CG2-CZ3 3.7Å; I51-W133 HydrophobicContact CG2-CB 3.82Å; I51-W133 HydrophobicContact CG2-CG 4.35Å; F78-W133 HydrophobicContact CB-CH2 3.67Å; F78-W133 HydrophobicContact CB-CZ3 3.91Å; F78-W133 HydrophobicContact CG-CH2 4.4Å; F78-W133 HydrophobicContact CG-CZ3 4.4Å; F79-W133 HydrophobicContact CD1-CH2 4.44Å; F79-W133 HydrophobicContact CD1-CZ2 4.32Å; F79-W133 HydrophobicContact CE1-CD2 4.12Å; F79-W133 AromaticContact CE1-CE2 3.76Å; F79-W133 HydrophobicContact CE1-CE3 4.39Å; F79-W133 HydrophobicContact CE1-CH2 4.02Å; F79-W133 AromaticContact CE1-CZ2 3.71Å; F79-W133 HydrophobicContact CE1-CZ2 3.71Å; F79-W133 HydrophobicContact CE1-CZ3 4.35Å; K101-W133 WeakPolarHBondContact O-CZ2 3.19Å; K101-W133 PolarHBondContact O-NE1 3.03Å; P103-W133 HydrophobicContact CB-CD2 3.89Å; P103-W133 HydrophobicContact CB-CE3 4.47Å; P103-W133 HydrophobicContact CB-CG 4.21Å; P103-W133 HydrophobicContact CB-CZ2 3.97Å; P103-W133 WeakPolarHBondContact CB-O 3.42Å; I106-W133 HydrophobicContact CG2-CH2 3.72Å; I106-W133 HydrophobicContact CG2-CZ2 4.17Å; F131-W133 PolarHBondContact O-N 3.09Å; W133-G135 VanDerWaalsContact C-N 3.3Å; W133-G135 PolarHBondContact O-N 2.83Å; W133-V136 WeakPolarHBondContact O-CB 3.4Å; W133-V136 PolarHBondContact O-N 3.22Å; W133-A137 HydrophobicContact CZ3-CB 4.41Å; W133-A137 PolarHBondContact O-N 2.79Å |
| 134 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.4 | -29.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q49 G130 F131 C132 A137 T138 | Q49-G134 VanDerWaalsContact O-CA 3.27Å; Q49-G134 WeakPolarHBondContact O-CA 3.38Å; Q49-G134 PolarHBondContact O-N 3.32Å; G130-G134 VanDerWaalsContact C-C 3.4Å; G130-G134 WeakPolarHBondContact CA-O 3.39Å; F131-G134 WeakPolarHBondContact O-CA 3.46Å; F131-G134 PolarHBondContact O-N 3.05Å; C132-G134 PolarHBondContact O-N 3.19Å; G134-A137 CarbonylContact O-C 3.52Å; G134-A137 WeakPolarHBondContact O-CB 3.33Å; G134-A137 PolarHBondContact O-N 3.07Å; G134-T138 WeakPolarHBondContact O-CB 3.35Å; G134-T138 PolarHBondContact O-N 3.27Å; G134-T138 PolarHBondContact O-OG1 3.04Å |
| 135 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G130 C132 W133 A137 T138 H139 S153 | G130-G135 WeakPolarHBondContact O-CA 3.2Å; G130-G135 PolarHBondContact O-N 2.92Å; C132-G135 WeakPolarHBondContact O-CA 3.48Å; C132-G135 PolarHBondContact O-N 2.67Å; W133-G135 VanDerWaalsContact C-N 3.3Å; W133-G135 PolarHBondContact O-N 2.83Å; G135-A137 VanDerWaalsContact C-N 3.33Å; G135-T138 PolarHBondContact O-N 3.25Å; G135-H139 WeakPolarHBondContact O-CB 3.27Å; G135-H139 PolarHBondContact O-N 3.15Å; G135-S153 PolarHBondContact O-OG 3.03Å |
| 136 | V | 98.6 | Very high | 98.2 | Very high | 24 Ų | 24 | 10.9 Ų | 10.9 | 15% | 0.145 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 171.5 | -177 | 0 | 0 | 0 | 0 | 110.1 | P103 C132 W133 H139 Y140 V158 | P103-V136 HydrophobicContact CB-CB 3.94Å; P103-V136 HydrophobicContact CB-CG1 3.96Å; P103-V136 HydrophobicContact CG-CB 3.8Å; P103-V136 HydrophobicContact CG-CG1 3.49Å; P103-V136 VanDerWaalsContact CG-CG1 3.49Å; C132-V136 PolarHBondContact O-N 2.74Å; W133-V136 WeakPolarHBondContact O-CB 3.4Å; W133-V136 PolarHBondContact O-N 3.22Å; V136-H139 PolarHBondContact O-N 3.41Å; V136-Y140 WeakPolarHBondContact O-CB 3.06Å; V136-Y140 PolarHBondContact O-N 3.4Å; V136-V158 HydrophobicContact CG1-CG2 3.87Å; V136-V158 WeakPolarHBondContact O-CG2 3.44Å |
| 137 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61 | -48 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I48 P103 I106 W133 G134 G135 H139 Y140 L141 | I48-A137 HydrophobicContact CD1-CB 3.91Å; I48-A137 HydrophobicContact CG2-CB 3.99Å; P103-A137 HydrophobicContact CB-CB 4.04Å; I106-A137 HydrophobicContact CD1-CB 3.73Å; W133-A137 HydrophobicContact CZ3-CB 4.41Å; W133-A137 PolarHBondContact O-N 2.79Å; G134-A137 CarbonylContact O-C 3.52Å; G134-A137 WeakPolarHBondContact O-CB 3.33Å; G134-A137 PolarHBondContact O-N 3.07Å; G135-A137 VanDerWaalsContact C-N 3.33Å; A137-H139 VanDerWaalsContact C-N 3.32Å; A137-H139 PolarHBondContact O-N 3.11Å; A137-Y140 CarbonylContact O-C 3.57Å; A137-Y140 WeakPolarHBondContact O-CA 3.39Å; A137-Y140 WeakPolarHBondContact O-CB 3.44Å; A137-Y140 PolarHBondContact O-N 3.02Å; A137-L141 VanDerWaalsContact O-CG 3.28Å; A137-L141 WeakPolarHBondContact O-CG 3.48Å; A137-L141 PolarHBondContact O-N 2.92Å |
| 138 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.1 | -45.1 | 176.3 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | T128 G130 G134 G135 L141 A142 | T128-T138 WeakPolarHBondContact OG1-CG2 3.46Å; G130-T138 WeakPolarHBondContact CA-OG1 3.34Å; G130-T138 PolarHBondContact N-OG1 2.87Å; G130-T138 VanDerWaalsContact N-OG1 3.15Å; G134-T138 WeakPolarHBondContact O-CB 3.35Å; G134-T138 PolarHBondContact O-N 3.27Å; G134-T138 PolarHBondContact O-OG1 3.04Å; G135-T138 PolarHBondContact O-N 3.25Å; T138-L141 PolarHBondContact O-N 3.28Å; T138-A142 WeakPolarHBondContact O-CB 3.43Å; T138-A142 PolarHBondContact O-N 2.99Å |
| 139 | H | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 174.2 | -175.6 | 179.4 | 0 | 0 | 0 | 111 | G135 V136 A137 L141 A142 L143 V158 R164 F173 | G135-H139 WeakPolarHBondContact O-CB 3.27Å; G135-H139 PolarHBondContact O-N 3.15Å; V136-H139 PolarHBondContact O-N 3.41Å; A137-H139 VanDerWaalsContact C-N 3.32Å; A137-H139 PolarHBondContact O-N 3.11Å; H139-L141 PolarHBondContact O-N 2.87Å; H139-A142 WeakPolarHBondContact O-CB 3.36Å; H139-A142 PolarHBondContact O-N 2.91Å; H139-L143 WeakPolarHBondContact O-CG 3.38Å; H139-L143 PolarHBondContact O-N 3.23Å; H139-V158 HydrophobicContact CB-CG2 4.08Å; H139-V158 PolarHBondContact ND1-N 2.69Å; H139-R164 PolarHBondContact NE2-O 3.49Å; H139-F173 HydrophobicContact CB-CE1 4.09Å; H139-F173 AromaticContact CD2-CE1 3.98Å; H139-F173 AromaticContact CD2-CZ 3.83Å; H139-F173 AromaticContact CE1-CE1 3.9Å; H139-F173 AromaticContact CG-CE1 3.68Å; H139-F173 AromaticContact ND1-CE1 3.62Å; H139-F173 AromaticContact NE2-CZ 3.85Å |
| 140 | Y | 98.6 | Very high | 98.1 | Very high | 19 Ų | 19 | 18.8 Ų | 18.8 | 8% | 0.075 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 175.8 | 171.9 | -112.8 | 0 | 0 | 0 | 113.2 | T104 N107 V136 A137 A142 L143 L144 | T104-Y140 HydrophobicContact CG2-CD1 4.14Å; T104-Y140 HydrophobicContact CG2-CD2 3.56Å; T104-Y140 HydrophobicContact CG2-CE2 4.13Å; T104-Y140 HydrophobicContact CG2-CG 3.55Å; T104-Y140 WeakPolarHBondContact O-CE1 3.44Å; T104-Y140 VanDerWaalsContact O-CZ 3.23Å; T104-Y140 PolarHBondContact O-OH 3.11Å; T104-Y140 VanDerWaalsContact O-OH 3.13Å; N107-Y140 PolarHBondContact ND2-OH 2.82Å; N107-Y140 VanDerWaalsContact OD1-CE1 3.31Å; N107-Y140 WeakPolarHBondContact OD1-CE1 3.45Å; N107-Y140 PolarHBondContact OD1-OH 3.2Å; V136-Y140 WeakPolarHBondContact O-CB 3.06Å; V136-Y140 PolarHBondContact O-N 3.4Å; A137-Y140 CarbonylContact O-C 3.57Å; A137-Y140 WeakPolarHBondContact O-CA 3.39Å; A137-Y140 WeakPolarHBondContact O-CB 3.44Å; A137-Y140 PolarHBondContact O-N 3.02Å; Y140-A142 VanDerWaalsContact C-N 3.34Å; Y140-A142 PolarHBondContact O-N 2.77Å; Y140-L143 WeakPolarHBondContact O-CB 3.44Å; Y140-L143 PolarHBondContact O-N 2.98Å; Y140-L143 VanDerWaalsContact O-N 3.11Å; Y140-L144 HydrophobicContact CD2-CD1 4.08Å; Y140-L144 HydrophobicContact CD2-CG 4.48Å; Y140-L144 HydrophobicContact CE1-CD1 3.85Å; Y140-L144 HydrophobicContact CE2-CD1 3.31Å; Y140-L144 HydrophobicContact CE2-CG 4.09Å; Y140-L144 PolarHBondContact O-N 2.96Å; Y140-L144 WeakPolarHBondContact OH-CD1 3.39Å |
| 141 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.1 | -37.4 | 178.4 | -61.4 | -175.2 | 0 | 0 | 0 | 111.9 | I48 I106 V110 T128 A137 T138 H139 L143 L144 Y145 | I48-L141 HydrophobicContact CD1-CD1 3.94Å; I106-L141 HydrophobicContact CD1-CD1 4.48Å; I106-L141 HydrophobicContact CD1-CD2 4.24Å; I106-L141 HydrophobicContact CG1-CD2 4.49Å; V110-L141 HydrophobicContact CB-CD2 4.43Å; V110-L141 HydrophobicContact CG1-CD1 4.27Å; V110-L141 HydrophobicContact CG1-CD2 4.22Å; V110-L141 HydrophobicContact CG2-CD1 3.8Å; V110-L141 HydrophobicContact CG2-CD2 3.78Å; V110-L141 HydrophobicContact CG2-CG 4.43Å; T128-L141 HydrophobicContact CG2-CD1 3.95Å; A137-L141 VanDerWaalsContact O-CG 3.28Å; A137-L141 WeakPolarHBondContact O-CG 3.48Å; A137-L141 PolarHBondContact O-N 2.92Å; T138-L141 PolarHBondContact O-N 3.28Å; H139-L141 PolarHBondContact O-N 2.87Å; L141-L143 PolarHBondContact O-N 3.33Å; L141-L144 PolarHBondContact O-N 3.26Å; L141-Y145 HydrophobicContact CB-CD2 4.28Å; L141-Y145 HydrophobicContact CD2-CD2 3.59Å; L141-Y145 HydrophobicContact CD2-CE2 3.53Å; L141-Y145 HydrophobicContact CG-CD2 4.49Å; L141-Y145 PolarHBondContact O-N 3.37Å |
| 142 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.2 | -21.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T138 H139 Y140 L167 K168 S169 T171 | T138-A142 WeakPolarHBondContact O-CB 3.43Å; T138-A142 PolarHBondContact O-N 2.99Å; H139-A142 WeakPolarHBondContact O-CB 3.36Å; H139-A142 PolarHBondContact O-N 2.91Å; Y140-A142 VanDerWaalsContact C-N 3.34Å; Y140-A142 PolarHBondContact O-N 2.77Å; A142-L167 HydrophobicContact CB-CD2 3.98Å; A142-K168 WeakPolarHBondContact O-CB 3.34Å; A142-K168 PolarHBondContact O-N 3.15Å; A142-S169 WeakPolarHBondContact CB-OG 3.46Å; A142-T171 WeakPolarHBondContact CB-OG1 3.38Å |
| 143 | L | 97.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 17.7 Ų | 17.7 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -81.9 | -25.4 | 174.3 | -59.8 | 168.3 | 0 | 0 | 0 | 112.8 | H139 Y140 L141 D163 R164 L167 K168 | H139-L143 WeakPolarHBondContact O-CG 3.38Å; H139-L143 PolarHBondContact O-N 3.23Å; Y140-L143 WeakPolarHBondContact O-CB 3.44Å; Y140-L143 PolarHBondContact O-N 2.98Å; Y140-L143 VanDerWaalsContact O-N 3.11Å; L141-L143 PolarHBondContact O-N 3.33Å; L143-D163 WeakPolarHBondContact CD2-O 3.45Å; L143-R164 HydrophobicContact CD1-CB 4.4Å; L143-L167 HydrophobicContact CD2-CD2 3.77Å; L143-L167 HydrophobicContact CG-CD2 4.36Å; L143-K168 VanDerWaalsContact O-CD 3.25Å; L143-K168 WeakPolarHBondContact O-CD 3.4Å; L143-K168 WeakPolarHBondContact O-CE 3.36Å |
| 144 | L | 97.1 | Very high | 98.1 | Very high | 44 Ų | 44 | 17.2 Ų | 17.2 | 23% | 0.23 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -112.5 | -43.7 | -166.1 | -64.7 | -170.7 | 0 | 0 | 0 | 113.9 | Y140 L141 P146 K168 | Y140-L144 HydrophobicContact CD2-CD1 4.08Å; Y140-L144 HydrophobicContact CD2-CG 4.48Å; Y140-L144 HydrophobicContact CE1-CD1 3.85Å; Y140-L144 HydrophobicContact CE2-CD1 3.31Å; Y140-L144 HydrophobicContact CE2-CG 4.09Å; Y140-L144 PolarHBondContact O-N 2.96Å; Y140-L144 WeakPolarHBondContact OH-CD1 3.39Å; L141-L144 PolarHBondContact O-N 3.26Å; L144-P146 WeakPolarHBondContact O-CD 3.48Å; L144-K168 PolarHBondContact O-NZ 3.23Å |
| 145 | Y | 97.7 | Very high | 98.1 | Very high | 19 Ų | 19 | 17.3 Ų | 17.3 | 8% | 0.075 | 9% | 0.088 | C | C | . | . | trans | -100.4 | 102.5 | -163.7 | -76.4 | -91.2 | 0 | 0 | 0 | 112.5 | N107 V110 D111 L114 L141 E147 I148 | N107-Y145 WeakPolarHBondContact CA-OH 3.43Å; N107-Y145 WeakPolarHBondContact CB-OH 3.49Å; N107-Y145 PolarHBondContact ND2-OH 2.9Å; N107-Y145 PolarHBondContact O-OH 3.35Å; V110-Y145 HydrophobicContact CG1-CD1 4.25Å; V110-Y145 HydrophobicContact CG1-CD2 4.46Å; V110-Y145 HydrophobicContact CG1-CE1 3.85Å; V110-Y145 HydrophobicContact CG1-CE2 4.1Å; D111-Y145 WeakPolarHBondContact OD1-CE1 3.18Å; D111-Y145 PolarHBondContact OD1-OH 3.2Å; L114-Y145 HydrophobicContact CD1-CD1 3.67Å; L114-Y145 HydrophobicContact CD1-CE1 3.91Å; L141-Y145 HydrophobicContact CB-CD2 4.28Å; L141-Y145 HydrophobicContact CD2-CD2 3.59Å; L141-Y145 HydrophobicContact CD2-CE2 3.53Å; L141-Y145 HydrophobicContact CG-CD2 4.49Å; L141-Y145 PolarHBondContact O-N 3.37Å; Y145-E147 PolarHBondContact O-N 3.08Å; Y145-I148 PolarHBondContact O-N 3.31Å; Y145-I148 VanDerWaalsContact O-N 3.11Å | ||
| 146 | P | 94.1 | Very high | 98 | Very high | 79 Ų | 79 | 17.3 Ų | 17.3 | 51% | 0.513 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15 | 175.8 | 28.4 | -36.2 | 0 | 0 | 0 | 114 | L144 I148 K149 | L144-P146 WeakPolarHBondContact O-CD 3.48Å; P146-I148 VanDerWaalsContact C-N 3.32Å; P146-K149 PolarHBondContact O-NZ 2.77Å |
| 147 | E | 95.9 | Very high | 97.9 | Very high | 72 Ų | 72 | 16.8 Ų | 16.8 | 34% | 0.336 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -30.1 | 172.5 | -66.2 | 89.4 | 156.7 | 0 | 0 | 112.8 | L114 Y145 K149 | L114-E147 HydrophobicContact CD1-CB 4.34Å; L114-E147 HydrophobicContact CD2-CB 4.46Å; Y145-E147 PolarHBondContact O-N 3.08Å; E147-K149 PolarHBondContact O-N 3.47Å |
| 148 | I | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 119.2 | 174.4 | -59.7 | -53.1 | 0 | 0 | 0 | 107.9 | I46 L114 I126 T128 Y145 P146 A150 S169 | I46-I148 HydrophobicContact CD1-CD1 4.34Å; L114-I148 HydrophobicContact CD2-CD1 3.89Å; I126-I148 HydrophobicContact CB-CD1 4.5Å; I126-I148 HydrophobicContact CG2-CD1 3.88Å; I126-I148 WeakPolarHBondContact O-CA 3.31Å; T128-I148 HydrophobicContact CG2-CD1 3.69Å; T128-I148 HydrophobicContact CG2-CG1 4.13Å; T128-I148 HydrophobicContact CG2-CG2 4.09Å; Y145-I148 PolarHBondContact O-N 3.31Å; Y145-I148 VanDerWaalsContact O-N 3.11Å; P146-I148 VanDerWaalsContact C-N 3.32Å; I148-A150 WeakPolarHBondContact CG2-O 3.46Å; I148-S169 WeakPolarHBondContact O-CB 3.41Å |
| 149 | K | 98.5 | Very high | 97.4 | Very high | 97 Ų | 97 | 22.8 Ų | 22.8 | 42% | 0.422 | 11% | 0.107 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -19.8 | -175.4 | -61.7 | -49.2 | 178.8 | -165.4 | 0 | 113.1 | I126 P146 E147 I245 | I126-K149 PolarHBondContact O-N 2.76Å; P146-K149 PolarHBondContact O-NZ 2.77Å; E147-K149 PolarHBondContact O-N 3.47Å; K149-I245 HydrophobicContact CB-CG2 3.49Å; K149-I245 VanDerWaalsContact CB-CG2 3.49Å |
| 150 | A | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 142.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G127 T128 I148 P170 L241 Y244 I245 | G127-A150 CarbonylContact C-O 3.49Å; G127-A150 WeakPolarHBondContact CA-O 3.34Å; T128-A150 PolarHBondContact N-O 3.39Å; I148-A150 WeakPolarHBondContact CG2-O 3.46Å; A150-P170 WeakPolarHBondContact CA-O 3.5Å; A150-L241 HydrophobicContact CB-CD2 4.28Å; A150-Y244 HydrophobicContact CB-CG 4.47Å; A150-I245 HydrophobicContact CB-CG2 4.08Å |
| 151 | G | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 143.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T128 P170 T171 L172 W240 | T128-G151 CarbonylContact O-C 3.53Å; T128-G151 WeakPolarHBondContact O-CA 3.36Å; G151-P170 PolarHBondContact N-O 2.81Å; G151-T171 CarbonylContact O-C 3.59Å; G151-T171 VanDerWaalsContact O-CA 3.3Å; G151-T171 WeakPolarHBondContact O-CA 3.37Å; G151-L172 PolarHBondContact O-N 2.87Å; G151-W240 PolarHBondContact O-NE1 2.93Å |
| 152 | V | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 98.8 | 163.9 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | T128 V129 G130 V154 L172 I174 M237 W240 L241 | T128-V152 PolarHBondContact O-N 3.5Å; V129-V152 WeakPolarHBondContact CA-O 3.43Å; V129-V152 HydrophobicContact CG2-CB 4.09Å; V129-V152 HydrophobicContact CG2-CG2 4.28Å; G130-V152 PolarHBondContact N-O 3.24Å; V152-V154 HydrophobicContact CG1-CG2 4.04Å; V152-L172 CarbonylContact C-O 3.57Å; V152-L172 WeakPolarHBondContact CA-O 3.47Å; V152-L172 HydrophobicContact CG1-CB 4.32Å; V152-L172 HydrophobicContact CG1-CD2 4.03Å; V152-L172 HydrophobicContact CG1-CG 4.23Å; V152-L172 HydrophobicContact CG2-CB 4.37Å; V152-I174 HydrophobicContact CG1-CD1 4.17Å; V152-M237 HydrophobicContact CB-CG 4.18Å; V152-M237 HydrophobicContact CG1-CB 4.1Å; V152-M237 HydrophobicContact CG1-CG 3.89Å; V152-M237 HydrophobicContact CG2-CG 4.03Å; V152-W240 HydrophobicContact CG2-CB 4.34Å; V152-W240 HydrophobicContact CG2-CG 4.37Å; V152-L241 HydrophobicContact CG2-CD2 4.17Å; V152-L241 HydrophobicContact CG2-CG 4.2Å |
| 153 | S | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 116.6 | 173.9 | 174.4 | 0 | 0 | 0 | 0 | 109.3 | G135 G156 L172 F173 I174 | G135-S153 PolarHBondContact O-OG 3.03Å; S153-G156 PolarHBondContact OG-O 2.76Å; S153-L172 PolarHBondContact N-O 3.44Å; S153-F173 CarbonylContact O-C 3.52Å; S153-F173 WeakPolarHBondContact O-CA 3.45Å; S153-I174 PolarHBondContact O-N 2.95Å |
| 154 | V | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 115.6 | 177.3 | -160.1 | 0 | 0 | 0 | 0 | 108.5 | G130 F131 C132 V152 G156 I174 V215 | G130-V154 WeakPolarHBondContact O-CB 3.43Å; G130-V154 WeakPolarHBondContact O-CG2 3.2Å; G130-V154 PolarHBondContact O-N 2.63Å; F131-V154 HydrophobicContact CD1-CB 3.75Å; F131-V154 HydrophobicContact CD1-CG1 4.15Å; F131-V154 HydrophobicContact CD1-CG2 3.8Å; F131-V154 HydrophobicContact CE1-CB 4.26Å; F131-V154 HydrophobicContact CE1-CG2 3.82Å; C132-V154 PolarHBondContact N-O 3.12Å; V152-V154 HydrophobicContact CG1-CG2 4.04Å; V154-G156 PolarHBondContact O-N 3.01Å; V154-I174 HydrophobicContact CG1-CB 3.98Å; V154-I174 HydrophobicContact CG1-CG2 3.99Å; V154-V215 HydrophobicContact CG1-CB 3.9Å; V154-V215 HydrophobicContact CG1-CG1 4.33Å; V154-V215 HydrophobicContact CG1-CG2 3.55Å |
| 155 | Y | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 41.3 | 57.5 | -174.7 | 39.6 | -101.8 | 0 | 0 | 0 | 112.7 | F131 C132 I174 I182 H212 G213 V215 H216 | F131-Y155 HydrophobicContact CB-CE2 3.97Å; F131-Y155 WeakPolarHBondContact CB-OH 3.32Å; F131-Y155 WeakPolarHBondContact CD1-OH 3.43Å; C132-Y155 VanDerWaalsContact CA-CD2 3.46Å; C132-Y155 WeakPolarHBondContact CA-O 3.18Å; C132-Y155 HydrophobicContact CB-CD2 3.7Å; C132-Y155 HydrophobicContact CB-CE2 3.66Å; Y155-I174 PolarHBondContact N-O 2.89Å; Y155-I182 WeakPolarHBondContact O-CD1 3.12Å; Y155-H212 AromaticContact CD2-CD2 4Å; Y155-H212 AromaticContact CD2-CE1 3.43Å; Y155-H212 VanDerWaalsContact CD2-CE1 3.43Å; Y155-H212 WeakPolarHBondContact CD2-CE1 3.48Å; Y155-H212 AromaticContact CD2-NE2 3.4Å; Y155-H212 WeakPolarHBondContact CD2-NE2 3.49Å; Y155-H212 AromaticContact CG-CE1 3.76Å; Y155-H212 AromaticContact CG-ND1 3.94Å; Y155-H212 PolarHBondContact O-CE1 2.96Å; Y155-G213 VanDerWaalsContact CZ-CA 3.49Å; Y155-V215 HydrophobicContact CE1-CB 4.25Å; Y155-V215 HydrophobicContact CE1-CG2 4.14Å; Y155-H216 AromaticContact CZ-CE1 3.81Å; Y155-H216 AromaticContact CZ-ND1 3.79Å; Y155-H216 PolarHBondContact OH-CE1 2.73Å; Y155-H216 PolarHBondContact OH-ND1 2.88Å |
| 156 | G | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -147.7 | 134.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S153 V154 | S153-G156 PolarHBondContact OG-O 2.76Å; V154-G156 PolarHBondContact O-N 3.01Å | ||
| 157 | I | 96.6 | Very high | 95.5 | Very high | 14 Ų | 14 | 42.3 Ų | 42.3 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | trans | -136.8 | 128.3 | 178.4 | -52.8 | -178.7 | 0 | 0 | 0 | 109.4 | R159 F175 I182 Q186 V187 L190 | I157-R159 PolarHBondContact O-N 2.77Å; I157-F175 HydrophobicContact CD1-CE1 3.84Å; I157-F175 HydrophobicContact CD1-CZ 3.7Å; I157-F175 HydrophobicContact CG1-CE1 3.68Å; I157-F175 HydrophobicContact CG1-CZ 3.54Å; I157-I182 HydrophobicContact CD1-CG2 3.66Å; I157-I182 HydrophobicContact CG1-CG2 4.25Å; I157-Q186 HydrophobicContact CD1-CB 4.34Å; I157-V187 HydrophobicContact CD1-CG2 4.39Å; I157-L190 HydrophobicContact CD1-CB 4.41Å; I157-L190 HydrophobicContact CD1-CD2 3.95Å; I157-L190 HydrophobicContact CG1-CD2 3.98Å; I157-L190 HydrophobicContact CG2-CD2 4.36Å | ||
| 158 | V | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -69.7 | 123.7 | 168.5 | 174.1 | 0 | 0 | 0 | 0 | 108.6 | T104 V136 H139 R161 R164 | T104-V158 HydrophobicContact CG2-CG2 4.38Å; V136-V158 HydrophobicContact CG1-CG2 3.87Å; V136-V158 WeakPolarHBondContact O-CG2 3.44Å; H139-V158 HydrophobicContact CB-CG2 4.08Å; H139-V158 PolarHBondContact ND1-N 2.69Å; V158-R161 HydrophobicContact CG1-CB 3.92Å; V158-R161 HydrophobicContact CG1-CG 3.78Å; V158-R164 HydrophobicContact CB-CB 4.46Å; V158-R164 HydrophobicContact CG1-CB 4.47Å; V158-R164 VanDerWaalsContact O-CD 3.29Å; V158-R164 WeakPolarHBondContact O-CD 3.42Å; V158-R164 PolarHBondContact O-NH1 3.06Å | ||
| 159 | R | 91.2 | Very high | 95.5 | Very high | 125 Ų | 125 | 44.4 Ų | 44.4 | 47% | 0.472 | 20% | 0.203 | S | C | . | . | trans | -109.9 | -17.7 | -171.9 | -68.4 | -178 | -179.9 | 163.1 | 2.3 | 114 | I157 R164 V181 | I157-R159 PolarHBondContact O-N 2.77Å; R159-R164 VanDerWaalsContact O-CZ 3.28Å; R159-R164 PolarHBondContact O-NH1 3.19Å; R159-R164 PolarHBondContact O-NH2 2.97Å; R159-V181 PolarHBondContact NH2-O 3.35Å | ||
| 160 | E | 88.2 | Confident | 95.5 | Very high | 112 Ų | 112 | 40.8 Ų | 40.8 | 52% | 0.523 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -93.6 | -10.5 | -172.5 | 71.2 | -80.6 | -163.8 | 0 | 0 | 114.6 | T104 | T104-E160 WeakPolarHBondContact CB-OE1 3.42Å; T104-E160 WeakPolarHBondContact CG2-OE1 3.44Å; T104-E160 PolarHBondContact OG1-OE1 3.44Å |
| 161 | R | 89.6 | Confident | 95.5 | Very high | 73 Ų | 73 | 40.8 Ų | 40.8 | 28% | 0.275 | 19% | 0.189 | S | C | . | . | trans | -108.9 | 130.9 | -175.8 | -62.1 | -173.6 | 65.2 | 103.5 | -1.9 | 114.4 | V158 D163 R164 | V158-R161 HydrophobicContact CG1-CB 3.92Å; V158-R161 HydrophobicContact CG1-CG 3.78Å; R161-D163 VanDerWaalsContact C-N 3.34Å; R161-D163 WeakPolarHBondContact CB-OD1 3.06Å; R161-D163 IonicContact CZ-OD1 3.23Å; R161-D163 IonicContact CZ-OD2 3.97Å; R161-D163 IonicContact NE-OD1 2.83Å; R161-D163 PolarHBondContact NE-OD1 2.86Å; R161-D163 IonicContact NE-OD2 2.72Å; R161-D163 IonicContact NH2-OD1 3.67Å; R161-D163 PolarHBondContact NH2-OD1 2.89Å; R161-D163 IonicContact NH2-OD2 3.57Å; R161-D163 PolarHBondContact NH2-OD2 2.96Å; R161-D163 PolarHBondContact O-N 2.07Å; R161-R164 HydrophobicContact CB-CB 4.42Å; R161-R164 WeakPolarHBondContact O-CB 3.16Å; R161-R164 WeakPolarHBondContact O-CG 3.4Å; R161-R164 PolarHBondContact O-N 2.67Å; R161-R164 PolarHBondContact O-NE 3.43Å; R161-R164 PolarHBondContact O-NH1 3.24Å; R161-R164 PolarHBondContact O-NH2 3.11Å | ||
| 162 | E | 89.9 | Confident | 95.5 | Very high | 183 Ų | 183 | 41 Ų | 41 | 86% | 0.855 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -32.6 | 175.8 | -64.1 | -174 | 169.1 | 0 | 0 | 113 | R164 | E162-R164 PolarHBondContact O-N 3.43Š|
| 163 | D | 90.4 | Very high | 95.5 | Very high | 66 Ų | 66 | 41 Ų | 41 | 35% | 0.353 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 10.4 | -179.4 | 71.3 | -21.3 | 0 | 0 | 0 | 113.8 | L143 R161 Y165 S166 | L143-D163 WeakPolarHBondContact CD2-O 3.45Å; R161-D163 VanDerWaalsContact C-N 3.34Å; R161-D163 WeakPolarHBondContact CB-OD1 3.06Å; R161-D163 IonicContact CZ-OD1 3.23Å; R161-D163 IonicContact CZ-OD2 3.97Å; R161-D163 IonicContact NE-OD1 2.83Å; R161-D163 PolarHBondContact NE-OD1 2.86Å; R161-D163 IonicContact NE-OD2 2.72Å; R161-D163 IonicContact NH2-OD1 3.67Å; R161-D163 PolarHBondContact NH2-OD1 2.89Å; R161-D163 IonicContact NH2-OD2 3.57Å; R161-D163 PolarHBondContact NH2-OD2 2.96Å; R161-D163 PolarHBondContact O-N 2.07Å; D163-Y165 PolarHBondContact O-N 2.76Å; D163-S166 WeakPolarHBondContact O-CB 3.41Å; D163-S166 PolarHBondContact O-N 2.93Å |
| 164 | R | 93.8 | Very high | 95.5 | Very high | 45 Ų | 45 | 41 Ų | 41 | 17% | 0.17 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -6.3 | -177.9 | 67.9 | 173 | 117.2 | -95.8 | -4 | 115.5 | H139 L143 V158 R159 R161 E162 | H139-R164 PolarHBondContact NE2-O 3.49Å; L143-R164 HydrophobicContact CD1-CB 4.4Å; V158-R164 HydrophobicContact CB-CB 4.46Å; V158-R164 HydrophobicContact CG1-CB 4.47Å; V158-R164 VanDerWaalsContact O-CD 3.29Å; V158-R164 WeakPolarHBondContact O-CD 3.42Å; V158-R164 PolarHBondContact O-NH1 3.06Å; R159-R164 VanDerWaalsContact O-CZ 3.28Å; R159-R164 PolarHBondContact O-NH1 3.19Å; R159-R164 PolarHBondContact O-NH2 2.97Å; R161-R164 HydrophobicContact CB-CB 4.42Å; R161-R164 WeakPolarHBondContact O-CB 3.16Å; R161-R164 WeakPolarHBondContact O-CG 3.4Å; R161-R164 PolarHBondContact O-N 2.67Å; R161-R164 PolarHBondContact O-NE 3.43Å; R161-R164 PolarHBondContact O-NH1 3.24Å; R161-R164 PolarHBondContact O-NH2 3.11Å; E162-R164 PolarHBondContact O-N 3.43Å |
| 165 | Y | 95.9 | Very high | 95.5 | Very high | 29 Ų | 29 | 41 Ų | 41 | 11% | 0.114 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -8.7 | 179.8 | -44.4 | -67.5 | 0 | 0 | 0 | 112.5 | D163 L167 L190 N193 L194 K197 | D163-Y165 PolarHBondContact O-N 2.76Å; Y165-L167 PolarHBondContact O-N 2.91Å; Y165-L167 VanDerWaalsContact O-N 3.08Å; Y165-L190 HydrophobicContact CD1-CD1 3.94Å; Y165-L190 HydrophobicContact CE1-CD1 3.85Å; Y165-N193 HydrophobicContact CD1-CB 3.38Å; Y165-N193 HydrophobicContact CD2-CB 3.71Å; Y165-N193 HydrophobicContact CE1-CB 3.3Å; Y165-N193 HydrophobicContact CE2-CB 3.61Å; Y165-N193 HydrophobicContact CG-CB 3.57Å; Y165-L194 HydrophobicContact CD1-CD2 4.34Å; Y165-L194 HydrophobicContact CD1-CG 4.28Å; Y165-K197 HydrophobicContact CD2-CD 3.91Å; Y165-K197 HydrophobicContact CG-CD 4.4Å |
| 166 | S | 95.3 | Very high | 95.5 | Very high | 66 Ų | 66 | 41 Ų | 41 | 46% | 0.462 | 19% | 0.191 | S | C | . | . | trans | -87.4 | 60.5 | -178.5 | -60.3 | 0 | 0 | 0 | 0 | 111 | D163 | D163-S166 WeakPolarHBondContact O-CB 3.41Å; D163-S166 PolarHBondContact O-N 2.93Å | ||
| 167 | L | 97.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | trans | -63.1 | 136.9 | 179.9 | -57.2 | 174.2 | 0 | 0 | 0 | 110.9 | A142 L143 Y165 F173 L194 V200 F202 | A142-L167 HydrophobicContact CB-CD2 3.98Å; L143-L167 HydrophobicContact CD2-CD2 3.77Å; L143-L167 HydrophobicContact CG-CD2 4.36Å; Y165-L167 PolarHBondContact O-N 2.91Å; Y165-L167 VanDerWaalsContact O-N 3.08Å; L167-F173 HydrophobicContact CD1-CE2 4Å; L167-F173 HydrophobicContact CD1-CZ 4.24Å; L167-F173 HydrophobicContact CD2-CZ 4.47Å; L167-L194 HydrophobicContact CD1-CD2 3.68Å; L167-L194 HydrophobicContact CG-CD2 4.05Å; L167-V200 HydrophobicContact CB-CG2 3.57Å; L167-V200 WeakPolarHBondContact O-CG2 3.49Å; L167-F202 HydrophobicContact CD1-CB 4.4Å | ||
| 168 | K | 97.1 | Very high | 95.3 | Very high | 116 Ų | 116 | 48.4 Ų | 48.4 | 50% | 0.504 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -94.2 | -15.9 | 174.7 | -63.3 | -177.2 | 179.9 | 174.6 | 0 | 113 | A142 L143 L144 | A142-K168 WeakPolarHBondContact O-CB 3.34Å; A142-K168 PolarHBondContact O-N 3.15Å; L143-K168 VanDerWaalsContact O-CD 3.25Å; L143-K168 WeakPolarHBondContact O-CD 3.4Å; L143-K168 WeakPolarHBondContact O-CE 3.36Å; L144-K168 PolarHBondContact O-NZ 3.23Å |
| 169 | S | 97.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -134.2 | 144.9 | -178.8 | 65.6 | 0 | 0 | 0 | 0 | 111.5 | A142 I148 T171 | A142-S169 WeakPolarHBondContact CB-OG 3.46Å; I148-S169 WeakPolarHBondContact O-CB 3.41Å; S169-T171 PolarHBondContact O-N 3.5Å; S169-T171 PolarHBondContact O-OG1 2.89Å |
| 170 | P | 98.7 | Very high | 95.1 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 14% | 0.143 | 24% | 0.24 | C | C | . | . | trans | -52.1 | 125.6 | 175 | -29.6 | 36.2 | 0 | 0 | 0 | 112.9 | A150 G151 D201 W240 Y244 | A150-P170 WeakPolarHBondContact CA-O 3.5Å; G151-P170 PolarHBondContact N-O 2.81Å; P170-D201 WeakPolarHBondContact CA-O 3.44Å; P170-D201 HydrophobicContact CB-CB 4.35Å; P170-W240 HydrophobicContact CB-CZ2 3.73Å; P170-W240 PolarHBondContact O-NE1 2.83Å; P170-Y244 HydrophobicContact CB-CD1 3.79Å; P170-Y244 HydrophobicContact CB-CD2 3.73Å; P170-Y244 HydrophobicContact CB-CE1 3.68Å; P170-Y244 HydrophobicContact CB-CE2 3.58Å; P170-Y244 HydrophobicContact CB-CG 3.84Å; P170-Y244 HydrophobicContact CG-CD1 3.59Å; P170-Y244 HydrophobicContact CG-CD2 4.45Å; P170-Y244 HydrophobicContact CG-CE1 3.48Å; P170-Y244 VanDerWaalsContact CG-CE1 3.48Å; P170-Y244 HydrophobicContact CG-CE2 4.34Å; P170-Y244 HydrophobicContact CG-CG 4.11Å | ||
| 171 | T | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.3 | -174.8 | -53.3 | 0 | 0 | 0 | 0 | 112.9 | A142 G151 S169 F173 D201 F202 Q203 W240 | A142-T171 WeakPolarHBondContact CB-OG1 3.38Å; G151-T171 CarbonylContact O-C 3.59Å; G151-T171 VanDerWaalsContact O-CA 3.3Å; G151-T171 WeakPolarHBondContact O-CA 3.37Å; S169-T171 PolarHBondContact O-N 3.5Å; S169-T171 PolarHBondContact O-OG1 2.89Å; T171-F173 HydrophobicContact CG2-CD2 4.06Å; T171-F173 HydrophobicContact CG2-CE1 4.1Å; T171-F173 HydrophobicContact CG2-CE2 3.54Å; T171-F173 HydrophobicContact CG2-CZ 3.57Å; T171-D201 PolarHBondContact N-O 3.19Å; T171-F202 WeakPolarHBondContact O-CA 3.36Å; T171-F202 WeakPolarHBondContact O-CB 3.43Å; T171-Q203 PolarHBondContact O-N 3.34Å; T171-Q203 VanDerWaalsContact O-N 3.11Å; T171-W240 VanDerWaalsContact C-CZ2 3.44Å |
| 172 | L | 98.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 131.9 | 166.4 | 171.5 | 63.7 | 0 | 0 | 0 | 109.3 | G151 V152 S153 I174 Q203 D236 W240 | G151-L172 PolarHBondContact O-N 2.87Å; V152-L172 CarbonylContact C-O 3.57Å; V152-L172 WeakPolarHBondContact CA-O 3.47Å; V152-L172 HydrophobicContact CG1-CB 4.32Å; V152-L172 HydrophobicContact CG1-CD2 4.03Å; V152-L172 HydrophobicContact CG1-CG 4.23Å; V152-L172 HydrophobicContact CG2-CB 4.37Å; S153-L172 PolarHBondContact N-O 3.44Å; L172-I174 HydrophobicContact CD1-CG1 4.37Å; L172-I174 HydrophobicContact CD2-CD1 4Å; L172-I174 HydrophobicContact CD2-CG1 4.1Å; L172-I174 HydrophobicContact CG-CD1 4.42Å; L172-I174 HydrophobicContact CG-CG1 4Å; L172-Q203 CarbonylContact C-O 3.37Å; L172-Q203 WeakPolarHBondContact CA-O 3.4Å; L172-Q203 HydrophobicContact CD1-CB 3.67Å; L172-D236 HydrophobicContact CD2-CB 4.26Å; L172-W240 HydrophobicContact CB-CB 4.14Å; L172-W240 HydrophobicContact CB-CD2 3.61Å; L172-W240 HydrophobicContact CB-CE3 4.15Å; L172-W240 HydrophobicContact CB-CG 3.59Å; L172-W240 HydrophobicContact CD2-CB 3.89Å; L172-W240 HydrophobicContact CD2-CG 4.28Å |
| 173 | F | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.1 | 171.9 | -63.5 | -90.2 | 0 | 0 | 0 | 110.1 | H139 S153 L167 T171 F175 L190 L194 Q203 L204 K205 | H139-F173 HydrophobicContact CB-CE1 4.09Å; H139-F173 AromaticContact CD2-CE1 3.98Å; H139-F173 AromaticContact CD2-CZ 3.83Å; H139-F173 AromaticContact CE1-CE1 3.9Å; H139-F173 AromaticContact CG-CE1 3.68Å; H139-F173 AromaticContact ND1-CE1 3.62Å; H139-F173 AromaticContact NE2-CZ 3.85Å; S153-F173 CarbonylContact O-C 3.52Å; S153-F173 WeakPolarHBondContact O-CA 3.45Å; L167-F173 HydrophobicContact CD1-CE2 4Å; L167-F173 HydrophobicContact CD1-CZ 4.24Å; L167-F173 HydrophobicContact CD2-CZ 4.47Å; T171-F173 HydrophobicContact CG2-CD2 4.06Å; T171-F173 HydrophobicContact CG2-CE1 4.1Å; T171-F173 HydrophobicContact CG2-CE2 3.54Å; T171-F173 HydrophobicContact CG2-CZ 3.57Å; F173-F175 HydrophobicContact CB-CD2 4.3Å; F173-F175 HydrophobicContact CB-CE2 3.58Å; F173-F175 HydrophobicContact CB-CZ 4.19Å; F173-F175 HydrophobicContact CD1-CE2 4.4Å; F173-F175 HydrophobicContact CD1-CZ 4.25Å; F173-F175 HydrophobicContact CG-CE2 4.35Å; F173-L190 HydrophobicContact CD1-CD2 3.93Å; F173-L190 HydrophobicContact CE1-CD2 4.09Å; F173-L190 HydrophobicContact CG-CD2 4.27Å; F173-L194 HydrophobicContact CD2-CD1 4.06Å; F173-L194 HydrophobicContact CE2-CD1 3.63Å; F173-L194 HydrophobicContact CZ-CD1 4.26Å; F173-Q203 PolarHBondContact N-O 3.04Å; F173-L204 HydrophobicContact CB-CB 4.33Å; F173-L204 HydrophobicContact CB-CD1 4.3Å; F173-L204 HydrophobicContact CB-CG 4.13Å; F173-L204 CarbonylContact O-C 3.43Å; F173-L204 WeakPolarHBondContact O-CA 3.36Å; F173-K205 PolarHBondContact O-N 3.39Å |
| 174 | I | 98.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124 | 178.2 | -62.8 | 178 | 0 | 0 | 0 | 108.8 | V152 S153 V154 Y155 L172 K205 F207 F214 V215 A233 | V152-I174 HydrophobicContact CG1-CD1 4.17Å; S153-I174 PolarHBondContact O-N 2.95Å; V154-I174 HydrophobicContact CG1-CB 3.98Å; V154-I174 HydrophobicContact CG1-CG2 3.99Å; Y155-I174 PolarHBondContact N-O 2.89Å; L172-I174 HydrophobicContact CD1-CG1 4.37Å; L172-I174 HydrophobicContact CD2-CD1 4Å; L172-I174 HydrophobicContact CD2-CG1 4.1Å; L172-I174 HydrophobicContact CG-CD1 4.42Å; L172-I174 HydrophobicContact CG-CG1 4Å; I174-K205 WeakPolarHBondContact CA-O 3.32Å; I174-F207 HydrophobicContact CG2-CD2 3.79Å; I174-F207 HydrophobicContact CG2-CE2 3.67Å; I174-F214 HydrophobicContact CG2-CE1 4.25Å; I174-F214 HydrophobicContact CG2-CZ 3.99Å; I174-V215 HydrophobicContact CG2-CG2 4.12Å; I174-A233 HydrophobicContact CD1-CB 4.41Å; I174-A233 HydrophobicContact CG2-CB 4.37Å |
| 175 | F | 98.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 164.2 | 178.6 | -64.4 | -72.7 | 0 | 0 | 0 | 111.7 | I157 F173 I182 V187 L190 L204 K205 I206 F207 | I157-F175 HydrophobicContact CD1-CE1 3.84Å; I157-F175 HydrophobicContact CD1-CZ 3.7Å; I157-F175 HydrophobicContact CG1-CE1 3.68Å; I157-F175 HydrophobicContact CG1-CZ 3.54Å; F173-F175 HydrophobicContact CB-CD2 4.3Å; F173-F175 HydrophobicContact CB-CE2 3.58Å; F173-F175 HydrophobicContact CB-CZ 4.19Å; F173-F175 HydrophobicContact CD1-CE2 4.4Å; F173-F175 HydrophobicContact CD1-CZ 4.25Å; F173-F175 HydrophobicContact CG-CE2 4.35Å; F175-I182 HydrophobicContact CD1-CD1 4.46Å; F175-I182 HydrophobicContact CD1-CG2 4.17Å; F175-I182 HydrophobicContact CE1-CD1 4.1Å; F175-I182 HydrophobicContact CE1-CG2 4.05Å; F175-V187 HydrophobicContact CB-CG1 4.31Å; F175-V187 HydrophobicContact CB-CG2 4.21Å; F175-V187 HydrophobicContact CD1-CG2 3.84Å; F175-V187 HydrophobicContact CD2-CB 4.38Å; F175-V187 HydrophobicContact CD2-CG1 3.45Å; F175-V187 VanDerWaalsContact CD2-CG1 3.45Å; F175-V187 HydrophobicContact CD2-CG2 4.02Å; F175-V187 HydrophobicContact CE1-CG2 4.22Å; F175-V187 HydrophobicContact CE2-CG1 3.87Å; F175-V187 HydrophobicContact CE2-CG2 4.34Å; F175-V187 HydrophobicContact CG-CG1 3.92Å; F175-V187 HydrophobicContact CG-CG2 3.75Å; F175-V187 HydrophobicContact CZ-CG2 4.46Å; F175-L190 HydrophobicContact CE2-CD2 4.05Å; F175-L190 HydrophobicContact CZ-CD2 3.94Å; F175-L204 HydrophobicContact CD2-CD1 4.12Å; F175-L204 HydrophobicContact CD2-CD2 4.22Å; F175-L204 HydrophobicContact CD2-CG 3.95Å; F175-L204 HydrophobicContact CE2-CD1 3.72Å; F175-L204 HydrophobicContact CE2-CG 3.97Å; F175-K205 PolarHBondContact N-O 3.33Å; F175-I206 HydrophobicContact CB-CG1 4.21Å; F175-I206 WeakPolarHBondContact O-CA 3.3Å; F175-F207 PolarHBondContact O-N 3.16Å |
| 176 | A | 96.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 141.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | N178 D179 Q210 F214 | A176-N178 VanDerWaalsContact C-N 3.35Å; A176-N178 PolarHBondContact O-N 2.99Å; A176-D179 HydrophobicContact CB-CB 4.1Å; A176-D179 WeakPolarHBondContact O-CB 3.33Å; A176-Q210 VanDerWaalsContact CB-C 3.45Å; A176-Q210 HydrophobicContact CB-CB 3.95Å; A176-Q210 WeakPolarHBondContact CB-O 3.28Å; A176-F214 HydrophobicContact CB-CD1 4.02Å; A176-F214 HydrophobicContact CB-CE1 4.09Å |
| 177 | E | 95.4 | Very high | 95.8 | Very high | 88 Ų | 88 | 39.6 Ų | 39.6 | 41% | 0.411 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -41.4 | 179.2 | -179.8 | -179.2 | -132.8 | 0 | 0 | 112.4 | D179 L184 I206 F207 P208 G209 | E177-D179 VanDerWaalsContact C-N 3.34Å; E177-D179 PolarHBondContact O-N 3.28Å; E177-L184 HydrophobicContact CG-CD1 4.46Å; E177-I206 HydrophobicContact CB-CG2 4.11Å; E177-F207 PolarHBondContact N-O 3.5Å; E177-P208 WeakPolarHBondContact OE2-CA 3.4Å; E177-G209 PolarHBondContact OE2-N 3.35Å |
| 178 | N | 94.3 | Very high | 95.7 | Very high | 81 Ų | 81 | 42.5 Ų | 42.5 | 43% | 0.433 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 38.5 | -177 | -60.7 | -43.9 | 0 | 0 | 0 | 111.9 | A176 N180 G209 Q210 T211 | A176-N178 VanDerWaalsContact C-N 3.35Å; A176-N178 PolarHBondContact O-N 2.99Å; N178-N180 PolarHBondContact O-N 3.47Å; N178-G209 WeakPolarHBondContact ND2-CA 3.37Å; N178-G209 PolarHBondContact ND2-O 3.03Å; N178-Q210 WeakPolarHBondContact CA-O 3.04Å; N178-Q210 WeakPolarHBondContact CB-O 3.49Å; N178-Q210 PolarHBondContact N-O 3.02Å; N178-T211 HydrophobicContact CB-CG2 4.02Å |
| 179 | D | 93.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | trans | -84.9 | 104.6 | 179.5 | -167.9 | -22.2 | 0 | 0 | 0 | 111.9 | A176 E177 V181 I182 H212 | A176-D179 HydrophobicContact CB-CB 4.1Å; A176-D179 WeakPolarHBondContact O-CB 3.33Å; E177-D179 VanDerWaalsContact C-N 3.34Å; E177-D179 PolarHBondContact O-N 3.28Å; D179-V181 VanDerWaalsContact C-N 3.27Å; D179-V181 PolarHBondContact O-N 2.9Å; D179-V181 WeakPolarHBondContact OD1-CA 3.36Å; D179-V181 VanDerWaalsContact OD1-CB 3.32Å; D179-V181 WeakPolarHBondContact OD1-CB 3.42Å; D179-V181 PolarHBondContact OD1-N 3.44Å; D179-I182 CarbonylContact O-C 3.57Å; D179-I182 PolarHBondContact OD1-N 2.84Å; D179-H212 VanDerWaalsContact CG-ND1 3.28Å; D179-H212 WeakPolarHBondContact OD1-CB 3.4Å; D179-H212 IonicContact OD1-CG 3.56Å; D179-H212 IonicContact OD1-ND1 3.39Å; D179-H212 PolarHBondContact OD1-ND1 3.44Å; D179-H212 VanDerWaalsContact OD1-ND1 3.1Å; D179-H212 IonicContact OD2-CE1 2.76Å; D179-H212 IonicContact OD2-CG 3.74Å; D179-H212 IonicContact OD2-ND1 3.93Å; D179-H212 PolarHBondContact OD2-ND1 3.42Å | ||
| 180 | N | 89.3 | Confident | 95.6 | Very high | 132 Ų | 132 | 39.1 Ų | 39.1 | 71% | 0.706 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -75.6 | -11.9 | 177.1 | -66.4 | -47.8 | 0 | 0 | 0 | 113.9 | N178 | N178-N180 PolarHBondContact O-N 3.47Š|
| 181 | V | 89.9 | Confident | 95.5 | Very high | 79 Ų | 79 | 40.8 Ų | 40.8 | 48% | 0.479 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -90.6 | -36.1 | 178.4 | -176 | 0 | 0 | 0 | 0 | 110.5 | R159 D179 H212 | R159-V181 PolarHBondContact NH2-O 3.35Å; D179-V181 VanDerWaalsContact C-N 3.27Å; D179-V181 PolarHBondContact O-N 2.9Å; D179-V181 WeakPolarHBondContact OD1-CA 3.36Å; D179-V181 VanDerWaalsContact OD1-CB 3.32Å; D179-V181 WeakPolarHBondContact OD1-CB 3.42Å; D179-V181 PolarHBondContact OD1-N 3.44Å; V181-H212 HydrophobicContact CG2-CB 4.3Å |
| 182 | I | 92.8 | Very high | 95.4 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -124.8 | 88.4 | 177.6 | -52.2 | -174.4 | 0 | 0 | 0 | 109.4 | Y155 I157 F175 D179 V187 | Y155-I182 WeakPolarHBondContact O-CD1 3.12Å; I157-I182 HydrophobicContact CD1-CG2 3.66Å; I157-I182 HydrophobicContact CG1-CG2 4.25Å; F175-I182 HydrophobicContact CD1-CD1 4.46Å; F175-I182 HydrophobicContact CD1-CG2 4.17Å; F175-I182 HydrophobicContact CE1-CD1 4.1Å; F175-I182 HydrophobicContact CE1-CG2 4.05Å; D179-I182 CarbonylContact O-C 3.57Å; D179-I182 PolarHBondContact OD1-N 2.84Å; I182-V187 HydrophobicContact CG2-CG2 3.84Å |
| 183 | P | 92.9 | Very high | 95.4 | Very high | 51 Ų | 51 | 45 Ų | 45 | 33% | 0.331 | 26% | 0.259 | S | S | . | . | trans | -61.5 | 149.4 | 177.9 | -24.9 | 36.9 | 0 | 0 | 0 | 112.8 | D185 Q186 V187 | P183-D185 VanDerWaalsContact C-N 3.27Å; P183-D185 WeakPolarHBondContact CB-OD1 3.3Å; P183-D185 PolarHBondContact O-N 2.84Å; P183-Q186 WeakPolarHBondContact O-CB 3.36Å; P183-Q186 PolarHBondContact O-N 2.88Å; P183-Q186 VanDerWaalsContact O-N 3.11Å; P183-V187 PolarHBondContact O-N 3.23Å | ||
| 184 | L | 94.7 | Very high | 95.3 | Very high | 68 Ų | 68 | 45 Ų | 45 | 36% | 0.356 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.3 | -28.1 | -173.1 | -72.4 | 178.6 | 0 | 0 | 0 | 114.3 | E177 Q186 V187 S188 I206 | E177-L184 HydrophobicContact CG-CD1 4.46Å; L184-Q186 VanDerWaalsContact C-N 3.26Å; L184-Q186 PolarHBondContact O-N 2.81Å; L184-V187 WeakPolarHBondContact O-CB 3.2Å; L184-V187 PolarHBondContact O-N 3.34Å; L184-V187 VanDerWaalsContact O-N 3.12Å; L184-S188 PolarHBondContact O-N 3.2Å; L184-S188 PolarHBondContact O-OG 2.75Å; L184-I206 HydrophobicContact CD2-CD1 4Å; L184-I206 HydrophobicContact CD2-CG1 4.39Å; L184-I206 HydrophobicContact CD2-CG2 4.04Å |
| 185 | D | 95 | Very high | 95.2 | Very high | 112 Ų | 112 | 51.5 Ų | 51.5 | 60% | 0.599 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60 | -38.2 | 175.5 | 65.9 | -35.3 | 0 | 0 | 0 | 111.7 | P183 A189 | P183-D185 VanDerWaalsContact C-N 3.27Å; P183-D185 WeakPolarHBondContact CB-OD1 3.3Å; P183-D185 PolarHBondContact O-N 2.84Å; D185-A189 VanDerWaalsContact O-CB 3.31Å; D185-A189 WeakPolarHBondContact O-CB 3.12Å; D185-A189 PolarHBondContact O-N 2.46Å |
| 186 | Q | 94.7 | Very high | 95.1 | Very high | 55 Ų | 55 | 58.4 Ų | 58.4 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.4 | -37 | 174.5 | -59.1 | -174.5 | 24.4 | 0 | 0 | 112.1 | I157 P183 L184 A189 L190 | I157-Q186 HydrophobicContact CD1-CB 4.34Å; P183-Q186 WeakPolarHBondContact O-CB 3.36Å; P183-Q186 PolarHBondContact O-N 2.88Å; P183-Q186 VanDerWaalsContact O-N 3.11Å; L184-Q186 VanDerWaalsContact C-N 3.26Å; L184-Q186 PolarHBondContact O-N 2.81Å; Q186-A189 PolarHBondContact O-N 2.9Å; Q186-L190 WeakPolarHBondContact O-CB 3.39Å; Q186-L190 PolarHBondContact O-N 3.27Å |
| 187 | V | 96.6 | Very high | 95 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.5 | -46 | 176.5 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | I157 F175 I182 P183 L184 L190 E191 L204 I206 | I157-V187 HydrophobicContact CD1-CG2 4.39Å; F175-V187 HydrophobicContact CB-CG1 4.31Å; F175-V187 HydrophobicContact CB-CG2 4.21Å; F175-V187 HydrophobicContact CD1-CG2 3.84Å; F175-V187 HydrophobicContact CD2-CB 4.38Å; F175-V187 HydrophobicContact CD2-CG1 3.45Å; F175-V187 VanDerWaalsContact CD2-CG1 3.45Å; F175-V187 HydrophobicContact CD2-CG2 4.02Å; F175-V187 HydrophobicContact CE1-CG2 4.22Å; F175-V187 HydrophobicContact CE2-CG1 3.87Å; F175-V187 HydrophobicContact CE2-CG2 4.34Å; F175-V187 HydrophobicContact CG-CG1 3.92Å; F175-V187 HydrophobicContact CG-CG2 3.75Å; F175-V187 HydrophobicContact CZ-CG2 4.46Å; I182-V187 HydrophobicContact CG2-CG2 3.84Å; P183-V187 PolarHBondContact O-N 3.23Å; L184-V187 WeakPolarHBondContact O-CB 3.2Å; L184-V187 PolarHBondContact O-N 3.34Å; L184-V187 VanDerWaalsContact O-N 3.12Å; V187-L190 WeakPolarHBondContact O-CB 3.34Å; V187-L190 PolarHBondContact O-N 3.48Å; V187-E191 PolarHBondContact O-N 3.11Å; V187-L204 HydrophobicContact CG1-CD1 3.93Å; V187-L204 HydrophobicContact CG1-CD2 3.68Å; V187-L204 HydrophobicContact CG1-CG 4.27Å; V187-I206 HydrophobicContact CG1-CD1 3.89Å; V187-I206 HydrophobicContact CG1-CG1 3.96Å |
| 188 | S | 96.3 | Very high | 95.1 | Very high | 65 Ų | 65 | 59.6 Ų | 59.6 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 175.8 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | L184 E191 A192 | L184-S188 PolarHBondContact O-N 3.2Å; L184-S188 PolarHBondContact O-OG 2.75Å; S188-E191 PolarHBondContact O-N 2.85Å; S188-A192 WeakPolarHBondContact O-CB 3.13Å; S188-A192 PolarHBondContact O-N 2.89Å |
| 189 | A | 95.6 | Very high | 95.2 | Very high | 44 Ų | 44 | 62 Ų | 62 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | D185 Q186 N193 | D185-A189 VanDerWaalsContact O-CB 3.31Å; D185-A189 WeakPolarHBondContact O-CB 3.12Å; D185-A189 PolarHBondContact O-N 2.46Å; Q186-A189 PolarHBondContact O-N 2.9Å; A189-N193 WeakPolarHBondContact O-CB 3.29Å; A189-N193 PolarHBondContact O-N 2.99Å; A189-N193 VanDerWaalsContact O-N 3.1Å; A189-N193 PolarHBondContact O-ND2 2.78Å |
| 190 | L | 97.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.3 | -51 | 173.7 | 175 | 66.3 | 0 | 0 | 0 | 111 | I157 Y165 F173 F175 Q186 V187 A192 N193 L194 L204 | I157-L190 HydrophobicContact CD1-CB 4.41Å; I157-L190 HydrophobicContact CD1-CD2 3.95Å; I157-L190 HydrophobicContact CG1-CD2 3.98Å; I157-L190 HydrophobicContact CG2-CD2 4.36Å; Y165-L190 HydrophobicContact CD1-CD1 3.94Å; Y165-L190 HydrophobicContact CE1-CD1 3.85Å; F173-L190 HydrophobicContact CD1-CD2 3.93Å; F173-L190 HydrophobicContact CE1-CD2 4.09Å; F173-L190 HydrophobicContact CG-CD2 4.27Å; F175-L190 HydrophobicContact CE2-CD2 4.05Å; F175-L190 HydrophobicContact CZ-CD2 3.94Å; Q186-L190 WeakPolarHBondContact O-CB 3.39Å; Q186-L190 PolarHBondContact O-N 3.27Å; V187-L190 WeakPolarHBondContact O-CB 3.34Å; V187-L190 PolarHBondContact O-N 3.48Å; L190-A192 PolarHBondContact O-N 2.83Å; L190-N193 PolarHBondContact O-N 2.81Å; L190-L194 HydrophobicContact CD1-CD1 3.76Å; L190-L194 HydrophobicContact CD1-CG 3.95Å; L190-L194 HydrophobicContact CD2-CD1 4.45Å; L190-L194 HydrophobicContact CG-CD1 3.77Å; L190-L194 HydrophobicContact CG-CG 4.34Å; L190-L194 WeakPolarHBondContact O-CB 3.36Å; L190-L194 VanDerWaalsContact O-CG 3.31Å; L190-L194 WeakPolarHBondContact O-CG 3.39Å; L190-L194 PolarHBondContact O-N 3.3Å; L190-L204 HydrophobicContact CD2-CD1 4.15Å; L190-L204 HydrophobicContact CG-CD1 4.4Å |
| 191 | E | 97.5 | Very high | 95.8 | Very high | 58 Ų | 58 | 60.1 Ų | 60.1 | 27% | 0.271 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | -178.9 | -160.5 | -169.9 | 173.4 | 0 | 0 | 112.1 | V187 S188 N193 L194 K195 L204 | V187-E191 PolarHBondContact O-N 3.11Å; S188-E191 PolarHBondContact O-N 2.85Å; E191-N193 PolarHBondContact O-N 3.2Å; E191-L194 PolarHBondContact O-N 3.34Å; E191-K195 VanDerWaalsContact CD-NZ 3.29Å; E191-K195 HydrophobicContact CG-CD 4.5Å; E191-K195 WeakPolarHBondContact O-CG 3.49Å; E191-K195 PolarHBondContact O-N 3.22Å; E191-K195 WeakPolarHBondContact OE1-CE 3.04Å; E191-K195 IonicContact OE1-NZ 2.67Å; E191-K195 PolarHBondContact OE1-NZ 3.32Å; E191-K195 IonicContact OE2-NZ 3.9Å; E191-L204 HydrophobicContact CB-CD1 3.94Å; E191-L204 HydrophobicContact CG-CB 4.36Å; E191-L204 HydrophobicContact CG-CD1 4.29Å |
| 192 | A | 97.3 | Very high | 96.2 | Very high | 58 Ų | 58 | 58.1 Ų | 58.1 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S188 L190 K195 E196 | S188-A192 WeakPolarHBondContact O-CB 3.13Å; S188-A192 PolarHBondContact O-N 2.89Å; L190-A192 PolarHBondContact O-N 2.83Å; A192-K195 PolarHBondContact O-N 2.84Å; A192-E196 PolarHBondContact O-N 3.37Å; A192-E196 VanDerWaalsContact O-N 3.15Å |
| 193 | N | 97 | Very high | 96.5 | Very high | 34 Ų | 34 | 62.4 Ų | 62.4 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.8 | -34.4 | 179.3 | -79.7 | -91 | 0 | 0 | 0 | 112.5 | Y165 A189 L190 E191 E196 K197 | Y165-N193 HydrophobicContact CD1-CB 3.38Å; Y165-N193 HydrophobicContact CD2-CB 3.71Å; Y165-N193 HydrophobicContact CE1-CB 3.3Å; Y165-N193 HydrophobicContact CE2-CB 3.61Å; Y165-N193 HydrophobicContact CG-CB 3.57Å; A189-N193 WeakPolarHBondContact O-CB 3.29Å; A189-N193 PolarHBondContact O-N 2.99Å; A189-N193 VanDerWaalsContact O-N 3.1Å; A189-N193 PolarHBondContact O-ND2 2.78Å; L190-N193 PolarHBondContact O-N 2.81Å; E191-N193 PolarHBondContact O-N 3.2Å; N193-E196 PolarHBondContact O-N 2.85Å; N193-K197 VanDerWaalsContact O-CB 3.29Å; N193-K197 WeakPolarHBondContact O-CB 3.29Å; N193-K197 PolarHBondContact O-N 2.93Å; N193-K197 PolarHBondContact OD1-NZ 2.99Å |
| 194 | L | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 173 | -74.3 | 172.8 | 0 | 0 | 0 | 111 | Y165 L167 F173 L190 E191 E196 K197 C198 F202 | Y165-L194 HydrophobicContact CD1-CD2 4.34Å; Y165-L194 HydrophobicContact CD1-CG 4.28Å; L167-L194 HydrophobicContact CD1-CD2 3.68Å; L167-L194 HydrophobicContact CG-CD2 4.05Å; F173-L194 HydrophobicContact CD2-CD1 4.06Å; F173-L194 HydrophobicContact CE2-CD1 3.63Å; F173-L194 HydrophobicContact CZ-CD1 4.26Å; L190-L194 HydrophobicContact CD1-CD1 3.76Å; L190-L194 HydrophobicContact CD1-CG 3.95Å; L190-L194 HydrophobicContact CD2-CD1 4.45Å; L190-L194 HydrophobicContact CG-CD1 3.77Å; L190-L194 HydrophobicContact CG-CG 4.34Å; L190-L194 WeakPolarHBondContact O-CB 3.36Å; L190-L194 VanDerWaalsContact O-CG 3.31Å; L190-L194 WeakPolarHBondContact O-CG 3.39Å; L190-L194 PolarHBondContact O-N 3.3Å; E191-L194 PolarHBondContact O-N 3.34Å; L194-E196 PolarHBondContact O-N 3.21Å; L194-K197 PolarHBondContact O-N 3.29Å; L194-C198 HydrophobicContact CB-CB 4.29Å; L194-C198 HydrophobicContact CD2-CB 3.93Å; L194-C198 WeakPolarHBondContact O-CA 3.06Å; L194-C198 WeakPolarHBondContact O-CB 3.35Å; L194-C198 PolarHBondContact O-N 3.42Å; L194-F202 HydrophobicContact CB-CD1 4.17Å; L194-F202 HydrophobicContact CB-CD2 3.96Å; L194-F202 HydrophobicContact CB-CE1 3.86Å; L194-F202 HydrophobicContact CB-CE2 3.64Å; L194-F202 HydrophobicContact CB-CG 4.23Å; L194-F202 HydrophobicContact CB-CZ 3.59Å; L194-F202 HydrophobicContact CD1-CD2 3.87Å; L194-F202 HydrophobicContact CD1-CE2 4.22Å; L194-F202 HydrophobicContact CD1-CG 4.3Å; L194-F202 WeakPolarHBondContact O-CE1 3.4Å |
| 195 | K | 97.5 | Very high | 97 | Very high | 136 Ų | 136 | 61 Ų | 61 | 59% | 0.591 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.5 | -35.6 | 175 | -74.6 | 176.3 | -178.3 | 163.9 | 0 | 112.5 | E191 A192 F202 | E191-K195 VanDerWaalsContact CD-NZ 3.29Å; E191-K195 HydrophobicContact CG-CD 4.5Å; E191-K195 WeakPolarHBondContact O-CG 3.49Å; E191-K195 PolarHBondContact O-N 3.22Å; E191-K195 WeakPolarHBondContact OE1-CE 3.04Å; E191-K195 IonicContact OE1-NZ 2.67Å; E191-K195 PolarHBondContact OE1-NZ 3.32Å; E191-K195 IonicContact OE2-NZ 3.9Å; A192-K195 PolarHBondContact O-N 2.84Å; K195-F202 HydrophobicContact CB-CZ 4.35Å; K195-F202 HydrophobicContact CG-CE2 4.43Å; K195-F202 HydrophobicContact CG-CZ 3.69Å |
| 196 | E | 96.6 | Very high | 97.1 | Very high | 146 Ų | 146 | 58.5 Ų | 58.5 | 68% | 0.682 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -80.3 | -40.9 | -179.4 | -174.4 | -172.6 | -175.4 | 0 | 0 | 112.9 | A192 N193 L194 | A192-E196 PolarHBondContact O-N 3.37Å; A192-E196 VanDerWaalsContact O-N 3.15Å; N193-E196 PolarHBondContact O-N 2.85Å; L194-E196 PolarHBondContact O-N 3.21Å |
| 197 | K | 94.4 | Very high | 97.2 | Very high | 92 Ų | 92 | 56 Ų | 56 | 40% | 0.4 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -116.1 | -21.3 | -162.6 | -60.6 | 171.6 | -178.2 | 166 | 0 | 114.8 | Y165 N193 L194 | Y165-K197 HydrophobicContact CD2-CD 3.91Å; Y165-K197 HydrophobicContact CG-CD 4.4Å; N193-K197 VanDerWaalsContact O-CB 3.29Å; N193-K197 WeakPolarHBondContact O-CB 3.29Å; N193-K197 PolarHBondContact O-N 2.93Å; N193-K197 PolarHBondContact OD1-NZ 2.99Å; L194-K197 PolarHBondContact O-N 3.29Å |
| 198 | C | 96.3 | Very high | 97.1 | Very high | 22 Ų | 22 | 59.6 Ų | 59.6 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | trans | -78.4 | 132.3 | -175.1 | -170.5 | 0 | 0 | 0 | 0 | 110.7 | L194 V200 F202 | L194-C198 HydrophobicContact CB-CB 4.29Å; L194-C198 HydrophobicContact CD2-CB 3.93Å; L194-C198 WeakPolarHBondContact O-CA 3.06Å; L194-C198 WeakPolarHBondContact O-CB 3.35Å; L194-C198 PolarHBondContact O-N 3.42Å; C198-V200 VanDerWaalsContact SG-CG2 3.6Å; C198-V200 PolarHBondContact SG-O 2.77Å; C198-F202 HydrophobicContact CB-CD1 3.95Å; C198-F202 HydrophobicContact CB-CE1 4.13Å | ||
| 199 | T | 96.4 | Very high | 96.9 | Very high | 133 Ų | 133 | 58.4 Ų | 58.4 | 82% | 0.816 | 32% | 0.322 | S | S | * | . | trans | -104 | -9.2 | -179.1 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 200 | V | 97.7 | Very high | 96.8 | Very high | 39 Ų | 39 | 56.6 Ų | 56.6 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -103.8 | 162.7 | 172.9 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | L167 C198 | L167-V200 HydrophobicContact CB-CG2 3.57Å; L167-V200 WeakPolarHBondContact O-CG2 3.49Å; C198-V200 VanDerWaalsContact SG-CG2 3.6Å; C198-V200 PolarHBondContact SG-O 2.77Å |
| 201 | D | 98.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 32% | 0.321 | 31% | 0.314 | S | S | . | . | trans | -62.6 | 140.7 | 177.9 | -168.1 | 26.5 | 0 | 0 | 0 | 111.1 | P170 T171 W240 K243 Y244 | P170-D201 WeakPolarHBondContact CA-O 3.44Å; P170-D201 HydrophobicContact CB-CB 4.35Å; T171-D201 PolarHBondContact N-O 3.19Å; D201-W240 HydrophobicContact CB-CH2 4.32Å; D201-W240 WeakPolarHBondContact OD2-CH2 3.19Å; D201-K243 IonicContact OD2-NZ 3.52Å; D201-K243 PolarHBondContact OD2-NZ 3.48Å; D201-Y244 WeakPolarHBondContact CB-OH 3.36Å; D201-Y244 PolarHBondContact OD2-OH 3.46Å | ||
| 202 | F | 98.6 | Very high | 96.5 | Very high | 36 Ų | 36 | 56 Ų | 56 | 16% | 0.158 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 152.7 | 171.9 | 72.8 | -86 | 0 | 0 | 0 | 109.8 | L167 T171 L194 K195 C198 | L167-F202 HydrophobicContact CD1-CB 4.4Å; T171-F202 WeakPolarHBondContact O-CA 3.36Å; T171-F202 WeakPolarHBondContact O-CB 3.43Å; L194-F202 HydrophobicContact CB-CD1 4.17Å; L194-F202 HydrophobicContact CB-CD2 3.96Å; L194-F202 HydrophobicContact CB-CE1 3.86Å; L194-F202 HydrophobicContact CB-CE2 3.64Å; L194-F202 HydrophobicContact CB-CG 4.23Å; L194-F202 HydrophobicContact CB-CZ 3.59Å; L194-F202 HydrophobicContact CD1-CD2 3.87Å; L194-F202 HydrophobicContact CD1-CE2 4.22Å; L194-F202 HydrophobicContact CD1-CG 4.3Å; L194-F202 WeakPolarHBondContact O-CE1 3.4Å; K195-F202 HydrophobicContact CB-CZ 4.35Å; K195-F202 HydrophobicContact CG-CE2 4.43Å; K195-F202 HydrophobicContact CG-CZ 3.69Å; C198-F202 HydrophobicContact CB-CD1 3.95Å; C198-F202 HydrophobicContact CB-CE1 4.13Å |
| 203 | Q | 98.5 | Very high | 96.3 | Very high | 98 Ų | 98 | 53.3 Ų | 53.3 | 46% | 0.458 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.4 | 168.9 | -77 | -177 | 0.1 | 0 | 0 | 108.9 | T171 L172 F173 W240 | T171-Q203 PolarHBondContact O-N 3.34Å; T171-Q203 VanDerWaalsContact O-N 3.11Å; L172-Q203 CarbonylContact C-O 3.37Å; L172-Q203 WeakPolarHBondContact CA-O 3.4Å; L172-Q203 HydrophobicContact CD1-CB 3.67Å; F173-Q203 PolarHBondContact N-O 3.04Å; Q203-W240 HydrophobicContact CB-CE3 4.43Å; Q203-W240 HydrophobicContact CB-CH2 4.2Å; Q203-W240 HydrophobicContact CB-CZ3 3.83Å; Q203-W240 VanDerWaalsContact CD-CZ3 3.43Å; Q203-W240 HydrophobicContact CG-CE3 4.38Å; Q203-W240 HydrophobicContact CG-CH2 4.01Å; Q203-W240 HydrophobicContact CG-CZ3 3.49Å; Q203-W240 VanDerWaalsContact CG-CZ3 3.49Å |
| 204 | L | 98.4 | Very high | 96.1 | Very high | 29 Ų | 29 | 51.7 Ų | 51.7 | 15% | 0.152 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 129 | 173.5 | -174.6 | 150.7 | 0 | 0 | 0 | 107.5 | F173 F175 V187 L190 E191 I206 | F173-L204 HydrophobicContact CB-CB 4.33Å; F173-L204 HydrophobicContact CB-CD1 4.3Å; F173-L204 HydrophobicContact CB-CG 4.13Å; F173-L204 CarbonylContact O-C 3.43Å; F173-L204 WeakPolarHBondContact O-CA 3.36Å; F175-L204 HydrophobicContact CD2-CD1 4.12Å; F175-L204 HydrophobicContact CD2-CD2 4.22Å; F175-L204 HydrophobicContact CD2-CG 3.95Å; F175-L204 HydrophobicContact CE2-CD1 3.72Å; F175-L204 HydrophobicContact CE2-CG 3.97Å; V187-L204 HydrophobicContact CG1-CD1 3.93Å; V187-L204 HydrophobicContact CG1-CD2 3.68Å; V187-L204 HydrophobicContact CG1-CG 4.27Å; L190-L204 HydrophobicContact CD2-CD1 4.15Å; L190-L204 HydrophobicContact CG-CD1 4.4Å; E191-L204 HydrophobicContact CB-CD1 3.94Å; E191-L204 HydrophobicContact CG-CB 4.36Å; E191-L204 HydrophobicContact CG-CD1 4.29Å; L204-I206 HydrophobicContact CD2-CD1 4.27Å; L204-I206 HydrophobicContact CD2-CG1 4.03Å |
| 205 | K | 98.5 | Very high | 96 | Very high | 60 Ų | 60 | 51.7 Ų | 51.7 | 26% | 0.261 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 127.9 | 179.4 | -170.5 | 169.6 | 176.6 | 175.7 | 0 | 110.7 | F173 I174 F175 F207 E232 D236 | F173-K205 PolarHBondContact O-N 3.39Å; I174-K205 WeakPolarHBondContact CA-O 3.32Å; F175-K205 PolarHBondContact N-O 3.33Å; K205-F207 HydrophobicContact CB-CE2 4.06Å; K205-F207 HydrophobicContact CD-CE2 3.64Å; K205-F207 HydrophobicContact CD-CZ 3.63Å; K205-F207 HydrophobicContact CG-CD2 4.12Å; K205-F207 HydrophobicContact CG-CE2 3.62Å; K205-F207 HydrophobicContact CG-CZ 4.12Å; K205-E232 IonicContact NZ-OE1 2.65Å; K205-E232 PolarHBondContact NZ-OE1 3.15Å; K205-D236 VanDerWaalsContact CD-OD2 3.26Å; K205-D236 WeakPolarHBondContact CD-OD2 3.37Å; K205-D236 WeakPolarHBondContact CE-OD2 3.21Å; K205-D236 IonicContact NZ-OD2 2.68Å; K205-D236 PolarHBondContact NZ-OD2 3.43Å |
| 206 | I | 98.3 | Very high | 95.7 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 31% | 0.313 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127 | 173.7 | -61.6 | 159.8 | 0 | 0 | 0 | 107.4 | F175 E177 L184 V187 L204 P208 | F175-I206 HydrophobicContact CB-CG1 4.21Å; F175-I206 WeakPolarHBondContact O-CA 3.3Å; E177-I206 HydrophobicContact CB-CG2 4.11Å; L184-I206 HydrophobicContact CD2-CD1 4Å; L184-I206 HydrophobicContact CD2-CG1 4.39Å; L184-I206 HydrophobicContact CD2-CG2 4.04Å; V187-I206 HydrophobicContact CG1-CD1 3.89Å; V187-I206 HydrophobicContact CG1-CG1 3.96Å; L204-I206 HydrophobicContact CD2-CD1 4.27Å; L204-I206 HydrophobicContact CD2-CG1 4.03Å; I206-P208 WeakPolarHBondContact O-CD 3.42Å |
| 207 | F | 97.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 115 | 179.5 | -76.8 | -102.1 | 0 | 0 | 0 | 110.2 | I174 F175 E177 K205 Q210 F214 Q229 E232 A233 | I174-F207 HydrophobicContact CG2-CD2 3.79Å; I174-F207 HydrophobicContact CG2-CE2 3.67Å; F175-F207 PolarHBondContact O-N 3.16Å; E177-F207 PolarHBondContact N-O 3.5Å; K205-F207 HydrophobicContact CB-CE2 4.06Å; K205-F207 HydrophobicContact CD-CE2 3.64Å; K205-F207 HydrophobicContact CD-CZ 3.63Å; K205-F207 HydrophobicContact CG-CD2 4.12Å; K205-F207 HydrophobicContact CG-CE2 3.62Å; K205-F207 HydrophobicContact CG-CZ 4.12Å; F207-Q210 HydrophobicContact CB-CB 4.11Å; F207-Q210 HydrophobicContact CB-CG 3.94Å; F207-Q210 PolarHBondContact O-N 3.39Å; F207-F214 HydrophobicContact CB-CE1 4.23Å; F207-F214 HydrophobicContact CB-CE2 4.15Å; F207-F214 HydrophobicContact CB-CZ 3.64Å; F207-F214 HydrophobicContact CD1-CE2 4.1Å; F207-F214 HydrophobicContact CD1-CZ 4.07Å; F207-F214 AromaticContact CD2-CZ 3.72Å; F207-F214 HydrophobicContact CD2-CZ 3.72Å; F207-F214 HydrophobicContact CE2-CZ 4.43Å; F207-F214 HydrophobicContact CG-CE1 4.46Å; F207-F214 AromaticContact CG-CE2 4Å; F207-F214 HydrophobicContact CG-CE2 4Å; F207-F214 AromaticContact CG-CZ 3.52Å; F207-F214 HydrophobicContact CG-CZ 3.52Å; F207-Q229 HydrophobicContact CD1-CB 4.15Å; F207-Q229 VanDerWaalsContact CD1-OE1 3.3Å; F207-Q229 WeakPolarHBondContact CE1-O 3.48Å; F207-E232 HydrophobicContact CE1-CB 4.01Å; F207-E232 HydrophobicContact CE1-CG 3.88Å; F207-E232 HydrophobicContact CZ-CG 4.32Å; F207-A233 HydrophobicContact CD1-CB 4.39Å; F207-A233 HydrophobicContact CE1-CB 3.8Å; F207-A233 HydrophobicContact CE2-CB 3.99Å; F207-A233 VanDerWaalsContact CZ-CA 3.47Å; F207-A233 HydrophobicContact CZ-CB 3.57Å |
| 208 | P | 94.7 | Very high | 94.7 | Very high | 77 Ų | 77 | 35.9 Ų | 35.9 | 50% | 0.5 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 144.6 | -178.5 | -22.5 | 33.8 | 0 | 0 | 0 | 112.6 | E177 I206 Q210 | E177-P208 WeakPolarHBondContact OE2-CA 3.4Å; I206-P208 WeakPolarHBondContact O-CD 3.42Å; P208-Q210 PolarHBondContact O-N 3.44Å |
| 209 | G | 91.1 | Very high | 93.5 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 42% | 0.423 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | -12.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E177 N178 | E177-G209 PolarHBondContact OE2-N 3.35Å; N178-G209 WeakPolarHBondContact ND2-CA 3.37Å; N178-G209 PolarHBondContact ND2-O 3.03Å |
| 210 | Q | 94.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.023 | 18% | 0.176 | C | C | . | . | trans | -82.6 | 156.7 | -175.7 | -65.3 | -52.7 | -48.9 | 0 | 0 | 113 | A176 N178 F207 P208 F214 D226 Q229 | A176-Q210 VanDerWaalsContact CB-C 3.45Å; A176-Q210 HydrophobicContact CB-CB 3.95Å; A176-Q210 WeakPolarHBondContact CB-O 3.28Å; N178-Q210 WeakPolarHBondContact CA-O 3.04Å; N178-Q210 WeakPolarHBondContact CB-O 3.49Å; N178-Q210 PolarHBondContact N-O 3.02Å; F207-Q210 HydrophobicContact CB-CB 4.11Å; F207-Q210 HydrophobicContact CB-CG 3.94Å; F207-Q210 PolarHBondContact O-N 3.39Å; P208-Q210 PolarHBondContact O-N 3.44Å; Q210-F214 HydrophobicContact CB-CB 4.21Å; Q210-F214 HydrophobicContact CB-CD1 3.78Å; Q210-F214 HydrophobicContact CB-CD2 4.05Å; Q210-F214 HydrophobicContact CB-CE1 4.12Å; Q210-F214 HydrophobicContact CB-CE2 4.37Å; Q210-F214 HydrophobicContact CB-CG 3.74Å; Q210-F214 HydrophobicContact CB-CZ 4.41Å; Q210-F214 HydrophobicContact CG-CB 4.45Å; Q210-F214 HydrophobicContact CG-CD1 4.36Å; Q210-F214 HydrophobicContact CG-CD2 3.71Å; Q210-F214 HydrophobicContact CG-CE2 3.97Å; Q210-F214 HydrophobicContact CG-CG 3.92Å; Q210-F214 HydrophobicContact CG-CZ 4.41Å; Q210-F214 VanDerWaalsContact OE1-CB 3.28Å; Q210-D226 PolarHBondContact NE2-OD1 2.81Å; Q210-D226 PolarHBondContact OE1-OD1 3.1Å; Q210-Q229 HydrophobicContact CG-CB 3.69Å; Q210-Q229 HydrophobicContact CG-CG 4.05Å | ||
| 211 | T | 93.6 | Very high | 90.9 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 17% | 0.172 | 19% | 0.191 | C | C | . | . | trans | -118.3 | 168.2 | 179.2 | 57.9 | 0 | 0 | 0 | 0 | 111.2 | N178 G213 F214 | N178-T211 HydrophobicContact CB-CG2 4.02Å; T211-G213 PolarHBondContact O-N 2.81Å; T211-F214 WeakPolarHBondContact O-CB 3.32Å; T211-F214 WeakPolarHBondContact O-CD1 3.35Å; T211-F214 PolarHBondContact O-N 3.31Å | ||
| 212 | H | 94.1 | Very high | 89.6 | Confident | 21 Ų | 21 | 38.3 Ų | 38.3 | 10% | 0.097 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 132.6 | 179.7 | -160.9 | 86.1 | 0 | 0 | 0 | 112.4 | C132 Y155 D179 V181 R217 | C132-H212 WeakPolarHBondContact CB-NE2 3.27Å; C132-H212 PolarHBondContact SG-NE2 3.5Å; Y155-H212 AromaticContact CD2-CD2 4Å; Y155-H212 AromaticContact CD2-CE1 3.43Å; Y155-H212 VanDerWaalsContact CD2-CE1 3.43Å; Y155-H212 WeakPolarHBondContact CD2-CE1 3.48Å; Y155-H212 AromaticContact CD2-NE2 3.4Å; Y155-H212 WeakPolarHBondContact CD2-NE2 3.49Å; Y155-H212 AromaticContact CG-CE1 3.76Å; Y155-H212 AromaticContact CG-ND1 3.94Å; Y155-H212 PolarHBondContact O-CE1 2.96Å; D179-H212 VanDerWaalsContact CG-ND1 3.28Å; D179-H212 WeakPolarHBondContact OD1-CB 3.4Å; D179-H212 IonicContact OD1-CG 3.56Å; D179-H212 IonicContact OD1-ND1 3.39Å; D179-H212 PolarHBondContact OD1-ND1 3.44Å; D179-H212 VanDerWaalsContact OD1-ND1 3.1Å; D179-H212 IonicContact OD2-CE1 2.76Å; D179-H212 IonicContact OD2-CG 3.74Å; D179-H212 IonicContact OD2-ND1 3.93Å; D179-H212 PolarHBondContact OD2-ND1 3.42Å; V181-H212 HydrophobicContact CG2-CB 4.3Å; H212-R217 PolarHBondContact O-NH2 3.05Å |
| 213 | G | 92.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 5.9 | 178 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y155 T211 V215 H216 R217 | Y155-G213 VanDerWaalsContact CZ-CA 3.49Å; T211-G213 PolarHBondContact O-N 2.81Å; G213-V215 PolarHBondContact O-N 3.48Å; G213-V215 VanDerWaalsContact O-N 3.16Å; G213-H216 PolarHBondContact O-N 2.83Å; G213-H216 PolarHBondContact O-ND1 3.1Å; G213-R217 WeakPolarHBondContact O-CB 3.43Å; G213-R217 PolarHBondContact O-N 2.96Å |
| 214 | F | 94.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32.9 | -177.8 | 77.8 | -80.6 | 0 | 0 | 0 | 113.9 | I174 A176 F207 Q210 T211 H216 K218 Q229 I230 A233 | I174-F214 HydrophobicContact CG2-CE1 4.25Å; I174-F214 HydrophobicContact CG2-CZ 3.99Å; A176-F214 HydrophobicContact CB-CD1 4.02Å; A176-F214 HydrophobicContact CB-CE1 4.09Å; F207-F214 HydrophobicContact CB-CE1 4.23Å; F207-F214 HydrophobicContact CB-CE2 4.15Å; F207-F214 HydrophobicContact CB-CZ 3.64Å; F207-F214 HydrophobicContact CD1-CE2 4.1Å; F207-F214 HydrophobicContact CD1-CZ 4.07Å; F207-F214 AromaticContact CD2-CZ 3.72Å; F207-F214 HydrophobicContact CD2-CZ 3.72Å; F207-F214 HydrophobicContact CE2-CZ 4.43Å; F207-F214 HydrophobicContact CG-CE1 4.46Å; F207-F214 AromaticContact CG-CE2 4Å; F207-F214 HydrophobicContact CG-CE2 4Å; F207-F214 AromaticContact CG-CZ 3.52Å; F207-F214 HydrophobicContact CG-CZ 3.52Å; Q210-F214 HydrophobicContact CB-CB 4.21Å; Q210-F214 HydrophobicContact CB-CD1 3.78Å; Q210-F214 HydrophobicContact CB-CD2 4.05Å; Q210-F214 HydrophobicContact CB-CE1 4.12Å; Q210-F214 HydrophobicContact CB-CE2 4.37Å; Q210-F214 HydrophobicContact CB-CG 3.74Å; Q210-F214 HydrophobicContact CB-CZ 4.41Å; Q210-F214 HydrophobicContact CG-CB 4.45Å; Q210-F214 HydrophobicContact CG-CD1 4.36Å; Q210-F214 HydrophobicContact CG-CD2 3.71Å; Q210-F214 HydrophobicContact CG-CE2 3.97Å; Q210-F214 HydrophobicContact CG-CG 3.92Å; Q210-F214 HydrophobicContact CG-CZ 4.41Å; Q210-F214 VanDerWaalsContact OE1-CB 3.28Å; T211-F214 WeakPolarHBondContact O-CB 3.32Å; T211-F214 WeakPolarHBondContact O-CD1 3.35Å; T211-F214 PolarHBondContact O-N 3.31Å; F214-H216 PolarHBondContact O-N 3.16Å; F214-K218 HydrophobicContact CB-CD 3.96Å; F214-K218 HydrophobicContact CB-CG 4.49Å; F214-Q229 HydrophobicContact CE2-CB 4.49Å; F214-I230 HydrophobicContact CD2-CG1 4.08Å; F214-I230 WeakPolarHBondContact O-CG1 3.39Å; F214-A233 HydrophobicContact CE2-CB 3.75Å; F214-A233 HydrophobicContact CZ-CB 3.93Å |
| 215 | V | 94.6 | Very high | 87 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -41 | -174.7 | -179.5 | 0 | 0 | 0 | 0 | 113.4 | F131 V154 Y155 I174 G213 A233 R234 | F131-V215 HydrophobicContact CE1-CG1 4.05Å; V154-V215 HydrophobicContact CG1-CB 3.9Å; V154-V215 HydrophobicContact CG1-CG1 4.33Å; V154-V215 HydrophobicContact CG1-CG2 3.55Å; Y155-V215 HydrophobicContact CE1-CB 4.25Å; Y155-V215 HydrophobicContact CE1-CG2 4.14Å; I174-V215 HydrophobicContact CG2-CG2 4.12Å; G213-V215 PolarHBondContact O-N 3.48Å; G213-V215 VanDerWaalsContact O-N 3.16Å; V215-A233 HydrophobicContact CG1-CB 4.45Å; V215-A233 HydrophobicContact CG2-CB 3.73Å; V215-R234 HydrophobicContact CG1-CG 4.11Å; V215-R234 PolarHBondContact O-NE 2.81Å; V215-R234 PolarHBondContact O-NH2 2.99Å |
| 216 | H | 92.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -34.7 | -174.8 | 73.1 | -41.6 | 0 | 0 | 0 | 113.7 | D50 N58 M62 F131 Y155 G213 F214 | D50-H216 IonicContact OD2-CD2 3.1Å; D50-H216 IonicContact OD2-CE1 3.86Å; D50-H216 PolarHBondContact OD2-CE1 3.42Å; D50-H216 IonicContact OD2-NE2 3.64Å; D50-H216 PolarHBondContact OD2-NE2 3.23Å; N58-H216 VanDerWaalsContact CB-O 3.3Å; N58-H216 WeakPolarHBondContact CB-O 3.45Å; N58-H216 PolarHBondContact ND2-O 2.87Å; M62-H216 HydrophobicContact CG-CB 3.68Å; M62-H216 HydrophobicContact SD-CB 4.2Å; F131-H216 HydrophobicContact CD1-CB 4.11Å; F131-H216 AromaticContact CD1-CG 3.94Å; F131-H216 HydrophobicContact CE1-CB 4.07Å; F131-H216 HydrophobicContact CG-CB 4.36Å; F131-H216 AromaticContact CG-CD2 3.86Å; F131-H216 AromaticContact CG-CG 3.88Å; F131-H216 HydrophobicContact CZ-CB 4.31Å; Y155-H216 AromaticContact CZ-CE1 3.81Å; Y155-H216 AromaticContact CZ-ND1 3.79Å; Y155-H216 PolarHBondContact OH-CE1 2.73Å; Y155-H216 PolarHBondContact OH-ND1 2.88Å; G213-H216 PolarHBondContact O-N 2.83Å; G213-H216 PolarHBondContact O-ND1 3.1Å; F214-H216 PolarHBondContact O-N 3.16Å |
| 217 | R | 87.8 | Confident | 85.9 | Confident | 18 Ų | 18 | 41.2 Ų | 41.2 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -30.9 | -176.9 | -68.8 | -178 | -53.1 | 164.5 | 1.1 | 114.3 | G13 F52 N58 H212 G213 | G13-R217 CarbonylContact C-O 3.59Å; G13-R217 PolarHBondContact N-O 2.79Å; G13-R217 VanDerWaalsContact O-O 3.08Å; F52-R217 VanDerWaalsContact CE2-NH1 3.27Å; N58-R217 WeakPolarHBondContact ND2-CA 3.38Å; N58-R217 PolarHBondContact ND2-O 2.8Å; H212-R217 PolarHBondContact O-NH2 3.05Å; G213-R217 WeakPolarHBondContact O-CB 3.43Å; G213-R217 PolarHBondContact O-N 2.96Å |
| 218 | K | 82.1 | Confident | 85.7 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 10% | 0.1 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -80.1 | 137.2 | 174 | -68 | -173.4 | -179.9 | -173.1 | 0 | 109.5 | F214 D226 I230 | F214-K218 HydrophobicContact CB-CD 3.96Å; F214-K218 HydrophobicContact CB-CG 4.49Å; K218-D226 HydrophobicContact CD-CB 4.44Å; K218-D226 VanDerWaalsContact NZ-CG 3.28Å; K218-D226 IonicContact NZ-OD1 3.33Å; K218-D226 PolarHBondContact NZ-OD1 2.94Å; K218-D226 IonicContact NZ-OD2 2.83Å; K218-D226 PolarHBondContact NZ-OD2 3.39Å; K218-I230 HydrophobicContact CB-CD1 3.7Å |
| 219 | R | 70.5 | Confident | 85.7 | Confident | 65 Ų | 65 | 43 Ų | 43 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | trans | -85.7 | 136.7 | 165.7 | -72.3 | 161.1 | 64.6 | 143.1 | 8.4 | 110.2 | G13 D14 R15 D221 I222 | G13-R219 WeakPolarHBondContact O-CD 3.5Å; G13-R219 WeakPolarHBondContact O-CG 3.3Å; D14-R219 WeakPolarHBondContact O-CD 3.35Å; R15-R219 HydrophobicContact CG-CG 3.63Å; R219-D221 WeakPolarHBondContact CB-OD1 3.41Å; R219-D221 IonicContact CZ-OD1 3.81Å; R219-D221 IonicContact CZ-OD2 2.74Å; R219-D221 IonicContact NE-OD1 3.76Å; R219-D221 PolarHBondContact NE-OD1 2.83Å; R219-D221 IonicContact NE-OD2 2.63Å; R219-D221 IonicContact NH2-OD1 3.67Å; R219-D221 IonicContact NH2-OD2 2.77Å; R219-D221 PolarHBondContact NH2-OD2 2.88Å; R219-D221 PolarHBondContact O-N 2.85Å; R219-I222 HydrophobicContact CB-CD1 3.89Å; R219-I222 HydrophobicContact CB-CG1 4.03Å; R219-I222 HydrophobicContact CG-CD1 4.46Å; R219-I222 PolarHBondContact O-N 3.42Å | ||
| 220 | E | 71.4 | Confident | 85.8 | Confident | 34 Ų | 34 | 41 Ų | 41 | 16% | 0.159 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16.6 | 176.4 | 62.2 | -85.2 | -171.9 | 0 | 0 | 114 | R15 K227 R234 | R15-E220 IonicContact CZ-OE1 3.38Å; R15-E220 IonicContact NH2-OE1 3.2Å; R15-E220 PolarHBondContact NH2-OE1 3.37Å; R15-E220 IonicContact NH2-OE2 2.74Å; R15-E220 PolarHBondContact NH2-OE2 3.31Å; E220-K227 HydrophobicContact CB-CB 4.31Å; E220-K227 HydrophobicContact CB-CD 4.43Å; E220-K227 HydrophobicContact CB-CG 4.04Å; E220-K227 WeakPolarHBondContact O-CB 3.45Å; E220-R234 IonicContact OE1-NH1 2.85Å; E220-R234 IonicContact OE2-CZ 3.6Å; E220-R234 IonicContact OE2-NH1 3.63Å; E220-R234 PolarHBondContact OE2-NH1 2.76Å; E220-R234 IonicContact OE2-NH2 2.73Å |
| 221 | D | 68.7 | Low | 85.7 | Confident | 101 Ų | 101 | 45.3 Ų | 45.3 | 54% | 0.54 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -8.5 | -178.3 | 63.3 | -9 | 0 | 0 | 0 | 114.1 | R219 | R219-D221 WeakPolarHBondContact CB-OD1 3.41Å; R219-D221 IonicContact CZ-OD1 3.81Å; R219-D221 IonicContact CZ-OD2 2.74Å; R219-D221 IonicContact NE-OD1 3.76Å; R219-D221 PolarHBondContact NE-OD1 2.83Å; R219-D221 IonicContact NE-OD2 2.63Å; R219-D221 IonicContact NH2-OD1 3.67Å; R219-D221 IonicContact NH2-OD2 2.77Å; R219-D221 PolarHBondContact NH2-OD2 2.88Å; R219-D221 PolarHBondContact O-N 2.85Å |
| 222 | I | 70.6 | Confident | 85.9 | Confident | 106 Ų | 106 | 47.6 Ų | 47.6 | 54% | 0.544 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -48.5 | -177 | -65.7 | 174.3 | 0 | 0 | 0 | 111.7 | R219 | R219-I222 HydrophobicContact CB-CD1 3.89Å; R219-I222 HydrophobicContact CB-CG1 4.03Å; R219-I222 HydrophobicContact CG-CD1 4.46Å; R219-I222 PolarHBondContact O-N 3.42Å |
| 223 | N | 75.7 | Confident | 86.1 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | trans | -122.5 | 109.3 | -178 | -176.2 | 0.7 | 0 | 0 | 0 | 110.5 | A225 D226 K227 | N223-A225 PolarHBondContact O-N 3.48Å; N223-A225 VanDerWaalsContact O-N 3.1Å; N223-A225 WeakPolarHBondContact OD1-CB 3.31Å; N223-A225 PolarHBondContact OD1-N 3.44Å; N223-D226 HydrophobicContact CB-CB 4.11Å; N223-D226 VanDerWaalsContact ND2-CG 3.34Å; N223-D226 PolarHBondContact ND2-OD2 3.36Å; N223-D226 PolarHBondContact O-N 2.93Å; N223-K227 PolarHBondContact O-N 3.35Å | ||
| 224 | P | 81.2 | Confident | 86.3 | Confident | 107 Ų | 107 | 47.2 Ų | 47.2 | 70% | 0.695 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.9 | 177.9 | -26.7 | 35 | 0 | 0 | 0 | 114.2 | P228 | P224-P228 WeakPolarHBondContact O-CD 3.42Š|
| 225 | A | 83.9 | Confident | 86.5 | Confident | 69 Ų | 69 | 53.5 Ų | 53.5 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -29.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N223 | N223-A225 PolarHBondContact O-N 3.48Å; N223-A225 VanDerWaalsContact O-N 3.1Å; N223-A225 WeakPolarHBondContact OD1-CB 3.31Å; N223-A225 PolarHBondContact OD1-N 3.44Å |
| 226 | D | 85.1 | Confident | 86.7 | Confident | 18 Ų | 18 | 55.2 Ų | 55.2 | 10% | 0.096 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -29.1 | 179.9 | -70.9 | -31.2 | 0 | 0 | 0 | 112 | Q210 K218 N223 Q229 I230 | Q210-D226 PolarHBondContact NE2-OD1 2.81Å; Q210-D226 PolarHBondContact OE1-OD1 3.1Å; K218-D226 HydrophobicContact CD-CB 4.44Å; K218-D226 VanDerWaalsContact NZ-CG 3.28Å; K218-D226 IonicContact NZ-OD1 3.33Å; K218-D226 PolarHBondContact NZ-OD1 2.94Å; K218-D226 IonicContact NZ-OD2 2.83Å; K218-D226 PolarHBondContact NZ-OD2 3.39Å; N223-D226 HydrophobicContact CB-CB 4.11Å; N223-D226 VanDerWaalsContact ND2-CG 3.34Å; N223-D226 PolarHBondContact ND2-OD2 3.36Å; N223-D226 PolarHBondContact O-N 2.93Å; D226-Q229 PolarHBondContact O-N 3.36Å; D226-Q229 VanDerWaalsContact O-N 3.1Å; D226-I230 HydrophobicContact CB-CD1 3.99Å; D226-I230 WeakPolarHBondContact O-CG1 2.84Å; D226-I230 PolarHBondContact O-N 2.89Å |
| 227 | K | 88.2 | Confident | 87 | Confident | 88 Ų | 88 | 55.2 Ų | 55.2 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -48.8 | -52 | -176 | 174.8 | 167.2 | -173.9 | 179.9 | 0 | 114.3 | E220 N223 Q229 I230 E231 | E220-K227 HydrophobicContact CB-CB 4.31Å; E220-K227 HydrophobicContact CB-CD 4.43Å; E220-K227 HydrophobicContact CB-CG 4.04Å; E220-K227 WeakPolarHBondContact O-CB 3.45Å; N223-K227 PolarHBondContact O-N 3.35Å; K227-Q229 VanDerWaalsContact C-N 3.29Å; K227-Q229 PolarHBondContact O-N 2.88Å; K227-I230 PolarHBondContact O-N 2.87Å; K227-E231 VanDerWaalsContact CE-CD 3.49Å; K227-E231 WeakPolarHBondContact CE-OE1 3.17Å; K227-E231 HydrophobicContact CG-CG 4.29Å; K227-E231 IonicContact NZ-OE1 3.76Å; K227-E231 WeakPolarHBondContact O-CB 3.49Å; K227-E231 WeakPolarHBondContact O-CG 3.17Å; K227-E231 PolarHBondContact O-N 3.35Å |
| 228 | P | 92.9 | Very high | 87.5 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | -178 | -22.5 | 34.4 | 0 | 0 | 0 | 112.5 | P224 E232 | P224-P228 WeakPolarHBondContact O-CD 3.42Å; P228-E232 WeakPolarHBondContact O-CB 3.47Å; P228-E232 PolarHBondContact O-N 3.39Å |
| 229 | Q | 94.6 | Very high | 88.3 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 22% | 0.22 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.2 | -40.1 | -179.6 | -56.9 | -57.6 | -41.7 | 0 | 0 | 111.3 | F207 Q210 F214 D226 K227 A233 | F207-Q229 HydrophobicContact CD1-CB 4.15Å; F207-Q229 VanDerWaalsContact CD1-OE1 3.3Å; F207-Q229 WeakPolarHBondContact CE1-O 3.48Å; Q210-Q229 HydrophobicContact CG-CB 3.69Å; Q210-Q229 HydrophobicContact CG-CG 4.05Å; F214-Q229 HydrophobicContact CE2-CB 4.49Å; D226-Q229 PolarHBondContact O-N 3.36Å; D226-Q229 VanDerWaalsContact O-N 3.1Å; K227-Q229 VanDerWaalsContact C-N 3.29Å; K227-Q229 PolarHBondContact O-N 2.88Å; Q229-A233 WeakPolarHBondContact O-CB 3.49Å; Q229-A233 PolarHBondContact O-N 3.1Å |
| 230 | I | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -49.8 | 175.3 | -65.2 | 170.6 | 0 | 0 | 0 | 110.4 | F214 K218 D226 K227 E232 A233 R234 | F214-I230 HydrophobicContact CD2-CG1 4.08Å; F214-I230 WeakPolarHBondContact O-CG1 3.39Å; K218-I230 HydrophobicContact CB-CD1 3.7Å; D226-I230 HydrophobicContact CB-CD1 3.99Å; D226-I230 WeakPolarHBondContact O-CG1 2.84Å; D226-I230 PolarHBondContact O-N 2.89Å; K227-I230 PolarHBondContact O-N 2.87Å; I230-E232 PolarHBondContact O-N 3.28Å; I230-A233 PolarHBondContact O-N 2.98Å; I230-R234 VanDerWaalsContact O-CG 3.28Å; I230-R234 WeakPolarHBondContact O-CG 3.38Å; I230-R234 PolarHBondContact O-N 2.97Å |
| 231 | E | 93.4 | Very high | 91 | Very high | 94 Ų | 94 | 53.8 Ų | 53.8 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | -179.8 | -72.2 | 179.6 | 158.2 | 0 | 0 | 111.7 | K227 R234 K235 | K227-E231 VanDerWaalsContact CE-CD 3.49Å; K227-E231 WeakPolarHBondContact CE-OE1 3.17Å; K227-E231 HydrophobicContact CG-CG 4.29Å; K227-E231 IonicContact NZ-OE1 3.76Å; K227-E231 WeakPolarHBondContact O-CB 3.49Å; K227-E231 WeakPolarHBondContact O-CG 3.17Å; K227-E231 PolarHBondContact O-N 3.35Å; E231-R234 PolarHBondContact O-N 3.33Å; E231-K235 VanDerWaalsContact O-CB 3.27Å; E231-K235 WeakPolarHBondContact O-CB 3.4Å; E231-K235 PolarHBondContact O-N 3.1Å |
| 232 | E | 97.4 | Very high | 92.4 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 36% | 0.36 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 176.5 | -177.6 | 175.9 | -172.1 | 0 | 0 | 111.8 | K205 F207 P228 I230 R234 K235 D236 | K205-E232 IonicContact NZ-OE1 2.65Å; K205-E232 PolarHBondContact NZ-OE1 3.15Å; F207-E232 HydrophobicContact CE1-CB 4.01Å; F207-E232 HydrophobicContact CE1-CG 3.88Å; F207-E232 HydrophobicContact CZ-CG 4.32Å; P228-E232 WeakPolarHBondContact O-CB 3.47Å; P228-E232 PolarHBondContact O-N 3.39Å; I230-E232 PolarHBondContact O-N 3.28Å; E232-R234 VanDerWaalsContact C-N 3.33Å; E232-R234 PolarHBondContact O-N 3.31Å; E232-K235 WeakPolarHBondContact O-CB 3.45Å; E232-K235 PolarHBondContact O-N 3.32Å; E232-K235 VanDerWaalsContact O-N 3.16Å; E232-D236 VanDerWaalsContact O-CG 3.31Å; E232-D236 PolarHBondContact O-N 2.92Å |
| 233 | A | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | I174 F207 F214 V215 Q229 I230 D236 M237 | I174-A233 HydrophobicContact CD1-CB 4.41Å; I174-A233 HydrophobicContact CG2-CB 4.37Å; F207-A233 HydrophobicContact CD1-CB 4.39Å; F207-A233 HydrophobicContact CE1-CB 3.8Å; F207-A233 HydrophobicContact CE2-CB 3.99Å; F207-A233 VanDerWaalsContact CZ-CA 3.47Å; F207-A233 HydrophobicContact CZ-CB 3.57Å; F214-A233 HydrophobicContact CE2-CB 3.75Å; F214-A233 HydrophobicContact CZ-CB 3.93Å; V215-A233 HydrophobicContact CG1-CB 4.45Å; V215-A233 HydrophobicContact CG2-CB 3.73Å; Q229-A233 WeakPolarHBondContact O-CB 3.49Å; Q229-A233 PolarHBondContact O-N 3.1Å; I230-A233 PolarHBondContact O-N 2.98Å; A233-D236 PolarHBondContact O-N 3.22Å; A233-M237 WeakPolarHBondContact O-CB 3.44Å; A233-M237 PolarHBondContact O-N 2.83Å |
| 234 | R | 97.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 175.9 | -69 | 178.7 | -176.4 | 161.9 | 5.3 | 111.8 | M62 M65 V215 E220 I230 E231 E232 M237 L238 | M62-R234 HydrophobicContact CE-CG 3.96Å; M65-R234 HydrophobicContact CE-CB 4.19Å; M65-R234 HydrophobicContact CE-CG 4.47Å; M65-R234 HydrophobicContact SD-CB 4.26Å; M65-R234 HydrophobicContact SD-CG 4.4Å; V215-R234 HydrophobicContact CG1-CG 4.11Å; V215-R234 PolarHBondContact O-NE 2.81Å; V215-R234 PolarHBondContact O-NH2 2.99Å; E220-R234 IonicContact OE1-NH1 2.85Å; E220-R234 IonicContact OE2-CZ 3.6Å; E220-R234 IonicContact OE2-NH1 3.63Å; E220-R234 PolarHBondContact OE2-NH1 2.76Å; E220-R234 IonicContact OE2-NH2 2.73Å; I230-R234 VanDerWaalsContact O-CG 3.28Å; I230-R234 WeakPolarHBondContact O-CG 3.38Å; I230-R234 PolarHBondContact O-N 2.97Å; E231-R234 PolarHBondContact O-N 3.33Å; E232-R234 VanDerWaalsContact C-N 3.33Å; E232-R234 PolarHBondContact O-N 3.31Å; R234-M237 WeakPolarHBondContact O-CB 3.2Å; R234-L238 WeakPolarHBondContact O-CG 3.44Å; R234-L238 PolarHBondContact O-N 3.49Å |
| 235 | K | 98.1 | Very high | 95.4 | Very high | 132 Ų | 132 | 48.8 Ų | 48.8 | 57% | 0.574 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -66.2 | -43.4 | 174.9 | -177.8 | 178.6 | 177.8 | -178.2 | 0 | 111.7 | E231 E232 M237 L238 N239 | E231-K235 VanDerWaalsContact O-CB 3.27Å; E231-K235 WeakPolarHBondContact O-CB 3.4Å; E231-K235 PolarHBondContact O-N 3.1Å; E232-K235 WeakPolarHBondContact O-CB 3.45Å; E232-K235 PolarHBondContact O-N 3.32Å; E232-K235 VanDerWaalsContact O-N 3.16Å; K235-M237 VanDerWaalsContact C-N 3.33Å; K235-M237 PolarHBondContact O-N 2.9Å; K235-L238 PolarHBondContact O-N 3.02Å; K235-N239 WeakPolarHBondContact O-CB 3.43Å; K235-N239 PolarHBondContact O-N 3.27Å; K235-N239 PolarHBondContact O-ND2 2.98Å |
| 236 | D | 98.6 | Very high | 95.9 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 19% | 0.193 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 177 | -71.9 | -17.7 | 0 | 0 | 0 | 111.4 | L172 K205 E232 A233 N239 W240 | L172-D236 HydrophobicContact CD2-CB 4.26Å; K205-D236 VanDerWaalsContact CD-OD2 3.26Å; K205-D236 WeakPolarHBondContact CD-OD2 3.37Å; K205-D236 WeakPolarHBondContact CE-OD2 3.21Å; K205-D236 IonicContact NZ-OD2 2.68Å; K205-D236 PolarHBondContact NZ-OD2 3.43Å; E232-D236 VanDerWaalsContact O-CG 3.31Å; E232-D236 PolarHBondContact O-N 2.92Å; A233-D236 PolarHBondContact O-N 3.22Å; D236-N239 PolarHBondContact O-N 2.86Å; D236-W240 WeakPolarHBondContact O-CB 3.26Å; D236-W240 PolarHBondContact O-N 2.68Å |
| 237 | M | 98.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -50.8 | 171.6 | 174.7 | -176.3 | 71.9 | 0 | 0 | 111.9 | M62 M65 L66 V129 V152 A233 R234 K235 N239 W240 L241 | M62-M237 HydrophobicContact CE-CE 3.51Å; M62-M237 HydrophobicContact CE-SD 4.32Å; M65-M237 HydrophobicContact CE-CE 3.24Å; L66-M237 HydrophobicContact CD2-CE 4.29Å; V129-M237 HydrophobicContact CB-SD 4.31Å; V129-M237 HydrophobicContact CG1-CG 4.44Å; V129-M237 HydrophobicContact CG1-SD 3.4Å; V129-M237 WeakPolarHBondContact CG1-SD 3.21Å; V129-M237 HydrophobicContact CG2-CG 4.1Å; V129-M237 HydrophobicContact CG2-SD 3.9Å; V152-M237 HydrophobicContact CB-CG 4.18Å; V152-M237 HydrophobicContact CG1-CB 4.1Å; V152-M237 HydrophobicContact CG1-CG 3.89Å; V152-M237 HydrophobicContact CG2-CG 4.03Å; A233-M237 WeakPolarHBondContact O-CB 3.44Å; A233-M237 PolarHBondContact O-N 2.83Å; R234-M237 WeakPolarHBondContact O-CB 3.2Å; K235-M237 VanDerWaalsContact C-N 3.33Å; K235-M237 PolarHBondContact O-N 2.9Å; M237-N239 PolarHBondContact O-N 3.41Å; M237-W240 PolarHBondContact O-N 2.9Å; M237-L241 HydrophobicContact CG-CD1 4.26Å; M237-L241 WeakPolarHBondContact O-CG 3.39Å; M237-L241 PolarHBondContact O-N 3.12Å |
| 238 | L | 98.6 | Very high | 97 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -41.4 | 178.4 | -73.3 | 170.3 | 0 | 0 | 0 | 112.1 | M65 L66 N69 Y71 R234 K235 W240 L241 N242 | M65-L238 HydrophobicContact CE-CD1 4.13Å; M65-L238 HydrophobicContact CE-CD2 4.41Å; M65-L238 HydrophobicContact CE-CG 4.22Å; L66-L238 HydrophobicContact CD2-CD2 3.93Å; N69-L238 HydrophobicContact CB-CD2 3.74Å; Y71-L238 HydrophobicContact CE2-CD2 4.28Å; R234-L238 WeakPolarHBondContact O-CG 3.44Å; R234-L238 PolarHBondContact O-N 3.49Å; K235-L238 PolarHBondContact O-N 3.02Å; L238-W240 VanDerWaalsContact C-N 3.33Å; L238-W240 PolarHBondContact O-N 2.65Å; L238-L241 PolarHBondContact O-N 3.47Å; L238-N242 VanDerWaalsContact O-CB 3.3Å; L238-N242 WeakPolarHBondContact O-CB 3.35Å; L238-N242 VanDerWaalsContact O-CG 3.3Å; L238-N242 PolarHBondContact O-N 3.15Å; L238-N242 PolarHBondContact O-ND2 3.28Å; L238-N242 VanDerWaalsContact O-ND2 3.11Å |
| 239 | N | 98.7 | Very high | 97.2 | Very high | 81 Ų | 81 | 45.9 Ų | 45.9 | 43% | 0.433 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 177.3 | -71.1 | -21.5 | 0 | 0 | 0 | 111.4 | K235 D236 M237 N242 K243 | K235-N239 WeakPolarHBondContact O-CB 3.43Å; K235-N239 PolarHBondContact O-N 3.27Å; K235-N239 PolarHBondContact O-ND2 2.98Å; D236-N239 PolarHBondContact O-N 2.86Å; M237-N239 PolarHBondContact O-N 3.41Å; N239-N242 PolarHBondContact O-N 2.94Å; N239-K243 WeakPolarHBondContact O-CB 3.45Å; N239-K243 PolarHBondContact O-N 2.93Å |
| 240 | W | 98.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -48.1 | 177 | -168.6 | -99.9 | 0 | 0 | 0 | 111.7 | G151 V152 P170 T171 L172 D201 Q203 D236 M237 L238 K243 Y244 | G151-W240 PolarHBondContact O-NE1 2.93Å; V152-W240 HydrophobicContact CG2-CB 4.34Å; V152-W240 HydrophobicContact CG2-CG 4.37Å; P170-W240 HydrophobicContact CB-CZ2 3.73Å; P170-W240 PolarHBondContact O-NE1 2.83Å; T171-W240 VanDerWaalsContact C-CZ2 3.44Å; L172-W240 HydrophobicContact CB-CB 4.14Å; L172-W240 HydrophobicContact CB-CD2 3.61Å; L172-W240 HydrophobicContact CB-CE3 4.15Å; L172-W240 HydrophobicContact CB-CG 3.59Å; L172-W240 HydrophobicContact CD2-CB 3.89Å; L172-W240 HydrophobicContact CD2-CG 4.28Å; D201-W240 HydrophobicContact CB-CH2 4.32Å; D201-W240 WeakPolarHBondContact OD2-CH2 3.19Å; Q203-W240 HydrophobicContact CB-CE3 4.43Å; Q203-W240 HydrophobicContact CB-CH2 4.2Å; Q203-W240 HydrophobicContact CB-CZ3 3.83Å; Q203-W240 VanDerWaalsContact CD-CZ3 3.43Å; Q203-W240 HydrophobicContact CG-CE3 4.38Å; Q203-W240 HydrophobicContact CG-CH2 4.01Å; Q203-W240 HydrophobicContact CG-CZ3 3.49Å; Q203-W240 VanDerWaalsContact CG-CZ3 3.49Å; D236-W240 WeakPolarHBondContact O-CB 3.26Å; D236-W240 PolarHBondContact O-N 2.68Å; M237-W240 PolarHBondContact O-N 2.9Å; L238-W240 VanDerWaalsContact C-N 3.33Å; L238-W240 PolarHBondContact O-N 2.65Å; W240-K243 PolarHBondContact O-N 2.95Å; W240-Y244 AromaticContact CD2-CD2 3.93Å; W240-Y244 HydrophobicContact CD2-CD2 3.93Å; W240-Y244 AromaticContact CD2-CE2 3.85Å; W240-Y244 HydrophobicContact CD2-CE2 3.85Å; W240-Y244 AromaticContact CE2-CD2 3.64Å; W240-Y244 AromaticContact CE2-CE2 3.54Å; W240-Y244 HydrophobicContact CE3-CD2 4.47Å; W240-Y244 AromaticContact CE3-CE2 3.99Å; W240-Y244 HydrophobicContact CE3-CE2 3.99Å; W240-Y244 HydrophobicContact CG-CD2 4.26Å; W240-Y244 AromaticContact CH2-CE2 3.63Å; W240-Y244 HydrophobicContact CH2-CE2 3.63Å; W240-Y244 AromaticContact CZ2-CD2 3.99Å; W240-Y244 HydrophobicContact CZ2-CD2 3.99Å; W240-Y244 AromaticContact CZ2-CE2 3.44Å; W240-Y244 HydrophobicContact CZ2-CE2 3.44Å; W240-Y244 VanDerWaalsContact CZ2-CE2 3.44Å; W240-Y244 AromaticContact CZ3-CE2 3.87Å; W240-Y244 HydrophobicContact CZ3-CE2 3.87Å; W240-Y244 AromaticContact NE1-CD2 3.78Å; W240-Y244 WeakPolarHBondContact O-CD2 3.41Å; W240-Y244 PolarHBondContact O-N 3.04Å |
| 241 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 176.2 | -66 | 171.3 | 0 | 0 | 0 | 110.6 | V45 L66 Y71 V129 A150 V152 M237 L238 K243 Y244 I245 | V45-L241 HydrophobicContact CG2-CD1 4.09Å; V45-L241 HydrophobicContact CG2-CD2 4.36Å; L66-L241 HydrophobicContact CD2-CD1 3.51Å; Y71-L241 HydrophobicContact CE1-CB 4.4Å; Y71-L241 HydrophobicContact CE2-CB 4.43Å; Y71-L241 WeakPolarHBondContact OH-CB 3.31Å; V129-L241 HydrophobicContact CG2-CD1 3.83Å; V129-L241 HydrophobicContact CG2-CD2 4.35Å; A150-L241 HydrophobicContact CB-CD2 4.28Å; V152-L241 HydrophobicContact CG2-CD2 4.17Å; V152-L241 HydrophobicContact CG2-CG 4.2Å; M237-L241 HydrophobicContact CG-CD1 4.26Å; M237-L241 WeakPolarHBondContact O-CG 3.39Å; M237-L241 PolarHBondContact O-N 3.12Å; L238-L241 PolarHBondContact O-N 3.47Å; L241-K243 PolarHBondContact O-N 3.37Å; L241-Y244 PolarHBondContact O-N 3.11Å; L241-I245 HydrophobicContact CB-CD1 4.16Å; L241-I245 HydrophobicContact CB-CG1 4.02Å; L241-I245 HydrophobicContact CD2-CD1 3.85Å; L241-I245 HydrophobicContact CD2-CG1 4.26Å; L241-I245 WeakPolarHBondContact O-CG1 3.49Å; L241-I245 PolarHBondContact O-N 3.25Å |
| 242 | N | 98.1 | Very high | 98 | Very high | 83 Ų | 83 | 45.7 Ų | 45.7 | 44% | 0.444 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59 | -33.4 | 178.7 | -81 | -40.3 | 0 | 0 | 0 | 113.5 | Y71 L238 N239 | Y71-N242 WeakPolarHBondContact OH-CA 3.12Å; Y71-N242 PolarHBondContact OH-N 3.17Å; Y71-N242 VanDerWaalsContact OH-N 3.11Å; Y71-N242 PolarHBondContact OH-OD1 2.67Å; L238-N242 VanDerWaalsContact O-CB 3.3Å; L238-N242 WeakPolarHBondContact O-CB 3.35Å; L238-N242 VanDerWaalsContact O-CG 3.3Å; L238-N242 PolarHBondContact O-N 3.15Å; L238-N242 PolarHBondContact O-ND2 3.28Å; L238-N242 VanDerWaalsContact O-ND2 3.11Å; N239-N242 PolarHBondContact O-N 2.94Å |
| 243 | K | 98.4 | Very high | 98 | Very high | 122 Ų | 122 | 43.3 Ų | 43.3 | 53% | 0.53 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.6 | -34.5 | 177.5 | -177.2 | 179.4 | 175.6 | -167.3 | 0 | 112.1 | D201 N239 W240 L241 | D201-K243 IonicContact OD2-NZ 3.52Å; D201-K243 PolarHBondContact OD2-NZ 3.48Å; N239-K243 WeakPolarHBondContact O-CB 3.45Å; N239-K243 PolarHBondContact O-N 2.93Å; W240-K243 PolarHBondContact O-N 2.95Å; L241-K243 PolarHBondContact O-N 3.37Å |
| 244 | Y | 98.2 | Very high | 98 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 24% | 0.243 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -114.6 | -20.1 | -166.7 | -73.3 | -61.8 | 0 | 0 | 0 | 115.8 | A150 P170 D201 W240 L241 | A150-Y244 HydrophobicContact CB-CG 4.47Å; P170-Y244 HydrophobicContact CB-CD1 3.79Å; P170-Y244 HydrophobicContact CB-CD2 3.73Å; P170-Y244 HydrophobicContact CB-CE1 3.68Å; P170-Y244 HydrophobicContact CB-CE2 3.58Å; P170-Y244 HydrophobicContact CB-CG 3.84Å; P170-Y244 HydrophobicContact CG-CD1 3.59Å; P170-Y244 HydrophobicContact CG-CD2 4.45Å; P170-Y244 HydrophobicContact CG-CE1 3.48Å; P170-Y244 VanDerWaalsContact CG-CE1 3.48Å; P170-Y244 HydrophobicContact CG-CE2 4.34Å; P170-Y244 HydrophobicContact CG-CG 4.11Å; D201-Y244 WeakPolarHBondContact CB-OH 3.36Å; D201-Y244 PolarHBondContact OD2-OH 3.46Å; W240-Y244 AromaticContact CD2-CD2 3.93Å; W240-Y244 HydrophobicContact CD2-CD2 3.93Å; W240-Y244 AromaticContact CD2-CE2 3.85Å; W240-Y244 HydrophobicContact CD2-CE2 3.85Å; W240-Y244 AromaticContact CE2-CD2 3.64Å; W240-Y244 AromaticContact CE2-CE2 3.54Å; W240-Y244 HydrophobicContact CE3-CD2 4.47Å; W240-Y244 AromaticContact CE3-CE2 3.99Å; W240-Y244 HydrophobicContact CE3-CE2 3.99Å; W240-Y244 HydrophobicContact CG-CD2 4.26Å; W240-Y244 AromaticContact CH2-CE2 3.63Å; W240-Y244 HydrophobicContact CH2-CE2 3.63Å; W240-Y244 AromaticContact CZ2-CD2 3.99Å; W240-Y244 HydrophobicContact CZ2-CD2 3.99Å; W240-Y244 AromaticContact CZ2-CE2 3.44Å; W240-Y244 HydrophobicContact CZ2-CE2 3.44Å; W240-Y244 VanDerWaalsContact CZ2-CE2 3.44Å; W240-Y244 AromaticContact CZ3-CE2 3.87Å; W240-Y244 HydrophobicContact CZ3-CE2 3.87Å; W240-Y244 AromaticContact NE1-CD2 3.78Å; W240-Y244 WeakPolarHBondContact O-CD2 3.41Å; W240-Y244 PolarHBondContact O-N 3.04Å; L241-Y244 PolarHBondContact O-N 3.11Å |
| 245 | I | 93.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | trans | -131.7 | 0 | 178.5 | 59.2 | 160.8 | 0 | 0 | 0 | 111.9 | K43 V45 Y71 R125 K149 A150 L241 | K43-I245 VanDerWaalsContact CD-O 3.23Å; K43-I245 WeakPolarHBondContact CD-O 3.38Å; K43-I245 WeakPolarHBondContact CD-OXT 3.34Å; K43-I245 WeakPolarHBondContact CE-O 3.45Å; K43-I245 WeakPolarHBondContact CE-OXT 3.48Å; K43-I245 VanDerWaalsContact NZ-C 3.33Å; K43-I245 PolarHBondContact NZ-O 2.97Å; K43-I245 VanDerWaalsContact NZ-O 3.14Å; K43-I245 PolarHBondContact NZ-OXT 2.8Å; V45-I245 HydrophobicContact CG2-CD1 3.78Å; Y71-I245 HydrophobicContact CD1-CD1 3.83Å; Y71-I245 HydrophobicContact CE1-CD1 3.47Å; Y71-I245 VanDerWaalsContact CE1-CD1 3.47Å; Y71-I245 HydrophobicContact CE1-CG1 3.76Å; R125-I245 HydrophobicContact CB-CB 4.02Å; R125-I245 HydrophobicContact CB-CG2 4.19Å; R125-I245 WeakPolarHBondContact CD-O 3.4Å; R125-I245 PolarHBondContact NE-O 3.38Å; K149-I245 HydrophobicContact CB-CG2 3.49Å; K149-I245 VanDerWaalsContact CB-CG2 3.49Å; A150-I245 HydrophobicContact CB-CG2 4.08Å; L241-I245 HydrophobicContact CB-CD1 4.16Å; L241-I245 HydrophobicContact CB-CG1 4.02Å; L241-I245 HydrophobicContact CD2-CD1 3.85Å; L241-I245 HydrophobicContact CD2-CG1 4.26Å; L241-I245 WeakPolarHBondContact O-CG1 3.49Å; L241-I245 PolarHBondContact O-N 3.25Å |
Retrieved 245 of 245 residues in 658.5 ms
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