| 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 | 35.5 | Very low | 45.4 | Very low | 245 Ų | 245 | 125.1 Ų | 125.1 | 100% | 1.207 | 69% | 0.694 | S | S | * | * | 0 | 129.3 | 0 | -60.7 | -172.3 | -150.7 | 0 | 0 | 105.9 | |||||
| 2 | D | 34.2 | Very low | 47.4 | Very low | 137 Ų | 137 | 123.9 Ų | 123.9 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | trans | -53.6 | 137.6 | -152.1 | 90.5 | 65 | 0 | 0 | 0 | 114.9 | T4 | D2-T4 PolarHBondContact O-N 3.06Å; D2-T4 PolarHBondContact OD1-N 2.97Å; D2-T4 PolarHBondContact OD1-OG1 2.97Å | ||
| 3 | G | 33 | Very low | 49.3 | Very low | 83 Ų | 83 | 116.2 Ų | 116.2 | 86% | 0.856 | 65% | 0.646 | S | S | * | * | trans | -94.3 | 44 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 4 | T | 34.8 | Very low | 51.6 | Low | 114 Ų | 114 | 109 Ų | 109 | 70% | 0.699 | 61% | 0.606 | S | S | * | * | trans | -120.8 | 62 | 172.4 | 53 | 0 | 0 | 0 | 0 | 112.2 | D2 K6 | D2-T4 PolarHBondContact O-N 3.06Å; D2-T4 PolarHBondContact OD1-N 2.97Å; D2-T4 PolarHBondContact OD1-OG1 2.97Å; T4-K6 VanDerWaalsContact C-N 3.31Å; T4-K6 PolarHBondContact O-N 3.24Å | ||
| 5 | A | 37.8 | Very low | 53.7 | Low | 99 Ų | 99 | 108.7 Ų | 108.7 | 82% | 0.818 | 60% | 0.603 | S | S | * | * | trans | -65.9 | 94.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | K7 | A5-K7 PolarHBondContact O-N 3.34Š| ||
| 6 | K | 42.7 | Very low | 55.6 | Low | 169 Ų | 169 | 110.6 Ų | 110.6 | 74% | 0.735 | 61% | 0.606 | S | S | * | * | trans | -50.4 | 111.1 | 165 | -86.2 | -178.2 | 176 | 178.1 | 0 | 106.8 | T4 Y8 | T4-K6 VanDerWaalsContact C-N 3.31Å; T4-K6 PolarHBondContact O-N 3.24Å; K6-Y8 VanDerWaalsContact C-N 3.25Å; K6-Y8 VanDerWaalsContact O-CD2 3.29Å; K6-Y8 WeakPolarHBondContact O-CD2 3.48Å; K6-Y8 PolarHBondContact O-N 2.91Å | ||
| 7 | K | 46.8 | Very low | 57.4 | Low | 208 Ų | 208 | 109.5 Ų | 109.5 | 90% | 0.904 | 59% | 0.59 | S | S | * | * | trans | -65.2 | 92.4 | 171.6 | -128.2 | -179.3 | -177.6 | -177.8 | 0 | 105.8 | A5 L9 | A5-K7 PolarHBondContact O-N 3.34Å; K7-L9 PolarHBondContact O-N 2.68Å | ||
| 8 | Y | 54.9 | Low | 59.3 | Low | 115 Ų | 115 | 106.6 Ų | 106.6 | 45% | 0.451 | 57% | 0.571 | S | S | . | * | trans | -57.6 | 138.6 | 168.5 | -63.8 | -81.1 | 0 | 0 | 0 | 107.2 | K6 A10 F39 | K6-Y8 VanDerWaalsContact C-N 3.25Å; K6-Y8 VanDerWaalsContact O-CD2 3.29Å; K6-Y8 WeakPolarHBondContact O-CD2 3.48Å; K6-Y8 PolarHBondContact O-N 2.91Å; Y8-A10 PolarHBondContact O-N 2.7Å; Y8-F39 HydrophobicContact CD1-CB 3.99Å; Y8-F39 HydrophobicContact CD1-CD2 4.43Å; Y8-F39 HydrophobicContact CD2-CB 4.37Å; Y8-F39 AromaticContact CD2-CD2 3.76Å; Y8-F39 HydrophobicContact CD2-CD2 3.76Å; Y8-F39 HydrophobicContact CE1-CD2 4.35Å; Y8-F39 AromaticContact CE2-CD2 3.68Å; Y8-F39 HydrophobicContact CE2-CD2 3.68Å; Y8-F39 HydrophobicContact CE2-CE2 4.31Å; Y8-F39 HydrophobicContact CG-CB 3.9Å; Y8-F39 HydrophobicContact CG-CD2 4.14Å; Y8-F39 AromaticContact CZ-CD2 3.99Å | ||
| 9 | L | 54.2 | Low | 61 | Low | 131 Ų | 131 | 106.3 Ų | 106.3 | 69% | 0.686 | 56% | 0.561 | S | S | * | * | trans | -62.2 | 114.3 | 170.8 | -71.8 | 172.1 | 0 | 0 | 0 | 106.1 | K7 D11 P37 | K7-L9 PolarHBondContact O-N 2.68Å; L9-D11 PolarHBondContact O-N 3.47Å; L9-P37 HydrophobicContact CD1-CB 4.1Å | ||
| 10 | A | 59.2 | Low | 62.6 | Low | 51 Ų | 51 | 101 Ų | 101 | 42% | 0.421 | 53% | 0.534 | S | S | . | . | trans | -53.8 | 134.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | Y8 D12 A107 | Y8-A10 PolarHBondContact O-N 2.7Å; A10-D12 VanDerWaalsContact C-N 3.27Å; A10-D12 PolarHBondContact O-N 3.24Å; A10-A107 HydrophobicContact CB-CB 3.62Å | ||
| 11 | D | 66.7 | Low | 64 | Low | 24 Ų | 24 | 99 Ų | 99 | 13% | 0.128 | 52% | 0.523 | C | S | . | . | trans | -66.9 | 96.5 | 169.3 | -173.9 | -0.2 | 0 | 0 | 0 | 107.4 | L9 S13 N199 L200 | L9-D11 PolarHBondContact O-N 3.47Å; D11-S13 VanDerWaalsContact C-N 3.25Å; D11-S13 WeakPolarHBondContact OD1-CB 3.39Å; D11-S13 PolarHBondContact OD1-N 3.2Å; D11-S13 VanDerWaalsContact OD1-N 3.14Å; D11-S13 PolarHBondContact OD1-OG 2.97Å; D11-S13 PolarHBondContact OD2-OG 2.94Å; D11-N199 PolarHBondContact OD2-OD1 3.01Å; D11-L200 VanDerWaalsContact OD2-CB 3.3Å; D11-L200 WeakPolarHBondContact OD2-CB 3.37Å; D11-L200 PolarHBondContact OD2-N 3.19Å | ||
| 12 | D | 69 | Low | 66.8 | Low | 111 Ų | 111 | 89.6 Ų | 89.6 | 59% | 0.594 | 48% | 0.476 | S | S | * | . | trans | -87.2 | 3 | -180 | 65.3 | -8 | 0 | 0 | 0 | 111.9 | A10 V14 L15 | A10-D12 VanDerWaalsContact C-N 3.27Å; A10-D12 PolarHBondContact O-N 3.24Å; D12-V14 PolarHBondContact O-N 2.65Å; D12-L15 HydrophobicContact CB-CD1 4.01Å; D12-L15 HydrophobicContact CB-CG 4.41Å; D12-L15 WeakPolarHBondContact O-CB 2.94Å; D12-L15 PolarHBondContact O-N 3.49Å | ||
| 13 | S | 72 | Confident | 69.5 | Low | 23 Ų | 23 | 88.2 Ų | 88.2 | 16% | 0.161 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.3 | 179.8 | 67.7 | 0 | 0 | 0 | 0 | 113.5 | D11 | D11-S13 VanDerWaalsContact C-N 3.25Å; D11-S13 WeakPolarHBondContact OD1-CB 3.39Å; D11-S13 PolarHBondContact OD1-N 3.2Å; D11-S13 VanDerWaalsContact OD1-N 3.14Å; D11-S13 PolarHBondContact OD1-OG 2.97Å; D11-S13 PolarHBondContact OD2-OG 2.94Å |
| 14 | V | 81.2 | Confident | 72.3 | Confident | 16 Ų | 16 | 87 Ų | 87 | 10% | 0.097 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -17.6 | 176.8 | -57.3 | 0 | 0 | 0 | 0 | 113.8 | D12 Q16 Y109 I192 L194 N199 | D12-V14 PolarHBondContact O-N 2.65Å; V14-Q16 VanDerWaalsContact C-N 3.33Å; V14-Y109 HydrophobicContact CG2-CD1 4.42Å; V14-Y109 HydrophobicContact CG2-CD2 4.25Å; V14-Y109 HydrophobicContact CG2-CE1 3.82Å; V14-Y109 HydrophobicContact CG2-CE2 3.66Å; V14-I192 HydrophobicContact CG2-CD1 4.19Å; V14-L194 VanDerWaalsContact CG1-O 3.24Å; V14-L194 WeakPolarHBondContact CG1-O 2.98Å; V14-N199 HydrophobicContact CG1-CB 4.28Å; V14-N199 WeakPolarHBondContact CG1-ND2 3.23Å |
| 15 | L | 83.6 | Confident | 75 | Confident | 105 Ų | 105 | 89.5 Ų | 89.5 | 55% | 0.55 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -18.3 | -175.1 | -61.3 | -177.2 | 0 | 0 | 0 | 112.9 | D12 Y109 | D12-L15 HydrophobicContact CB-CD1 4.01Å; D12-L15 HydrophobicContact CB-CG 4.41Å; D12-L15 WeakPolarHBondContact O-CB 2.94Å; D12-L15 PolarHBondContact O-N 3.49Å; L15-Y109 HydrophobicContact CD2-CD1 4.19Å; L15-Y109 HydrophobicContact CD2-CG 3.94Å |
| 16 | Q | 84.8 | Confident | 77.6 | Confident | 139 Ų | 139 | 86.8 Ų | 86.8 | 65% | 0.65 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -127.3 | 115.3 | 175.3 | -67.7 | -175.5 | -4 | 0 | 0 | 108.7 | V14 K18 | V14-Q16 VanDerWaalsContact C-N 3.33Å; Q16-K18 PolarHBondContact O-N 3.11Å |
| 17 | W | 85.6 | Confident | 79.9 | Confident | 92 Ų | 92 | 88.4 Ų | 88.4 | 35% | 0.348 | 43% | 0.434 | S | S | . | . | trans | -59.4 | 134.1 | 176.8 | -177 | 88.5 | 0 | 0 | 0 | 110.7 | W19 K182 | W17-W19 AromaticContact CH2-CD2 3.56Å; W17-W19 HydrophobicContact CH2-CD2 3.56Å; W17-W19 AromaticContact CH2-CE2 3.56Å; W17-W19 AromaticContact CH2-CE3 3.76Å; W17-W19 HydrophobicContact CH2-CE3 3.76Å; W17-W19 HydrophobicContact CH2-CG 4.14Å; W17-W19 AromaticContact CH2-CH2 4Å; W17-W19 HydrophobicContact CH2-CH2 4Å; W17-W19 AromaticContact CH2-CZ2 3.8Å; W17-W19 HydrophobicContact CH2-CZ2 3.8Å; W17-W19 AromaticContact CH2-CZ3 3.97Å; W17-W19 HydrophobicContact CH2-CZ3 3.97Å; W17-W19 HydrophobicContact CZ2-CD2 4.17Å; W17-W19 AromaticContact CZ2-CE3 3.94Å; W17-W19 HydrophobicContact CZ2-CE3 3.94Å; W17-W19 HydrophobicContact CZ2-CH2 4.47Å; W17-W19 HydrophobicContact CZ2-CZ3 4.1Å; W17-W19 HydrophobicContact CZ3-CD2 4.4Å; W17-K182 HydrophobicContact CD2-CD 3.59Å; W17-K182 VanDerWaalsContact CD2-CE 3.44Å; W17-K182 HydrophobicContact CD2-CG 4.13Å; W17-K182 HydrophobicContact CE3-CD 4.06Å; W17-K182 HydrophobicContact CG-CD 3.9Å; W17-K182 HydrophobicContact CG-CG 3.94Å; W17-K182 HydrophobicContact CH2-CD 4.33Å; W17-K182 HydrophobicContact CZ2-CD 3.93Å; W17-K182 HydrophobicContact CZ3-CD 4.41Å | ||
| 18 | K | 91.4 | Very high | 82.2 | Confident | 57 Ų | 57 | 80.7 Ų | 80.7 | 25% | 0.248 | 40% | 0.399 | C | S | . | . | trans | -147.7 | 162.3 | 175 | -67.2 | -169.4 | -177.5 | -179.3 | 0 | 109.5 | Q16 E22 | Q16-K18 PolarHBondContact O-N 3.11Å; K18-E22 WeakPolarHBondContact CD-OE2 3.46Å; K18-E22 IonicContact NZ-OE1 2.85Å; K18-E22 PolarHBondContact NZ-OE1 3.17Å; K18-E22 IonicContact NZ-OE2 3.23Å; K18-E22 PolarHBondContact NZ-OE2 3.33Å | ||
| 19 | W | 92.1 | Very high | 84 | Confident | 100 Ų | 100 | 77 Ų | 77 | 38% | 0.379 | 39% | 0.393 | S | S | . | . | trans | -60.8 | 145.7 | 175.9 | -69.6 | 113.5 | 0 | 0 | 0 | 111.9 | W17 N21 E22 Y171 D172 R198 | W17-W19 AromaticContact CH2-CD2 3.56Å; W17-W19 HydrophobicContact CH2-CD2 3.56Å; W17-W19 AromaticContact CH2-CE2 3.56Å; W17-W19 AromaticContact CH2-CE3 3.76Å; W17-W19 HydrophobicContact CH2-CE3 3.76Å; W17-W19 HydrophobicContact CH2-CG 4.14Å; W17-W19 AromaticContact CH2-CH2 4Å; W17-W19 HydrophobicContact CH2-CH2 4Å; W17-W19 AromaticContact CH2-CZ2 3.8Å; W17-W19 HydrophobicContact CH2-CZ2 3.8Å; W17-W19 AromaticContact CH2-CZ3 3.97Å; W17-W19 HydrophobicContact CH2-CZ3 3.97Å; W17-W19 HydrophobicContact CZ2-CD2 4.17Å; W17-W19 AromaticContact CZ2-CE3 3.94Å; W17-W19 HydrophobicContact CZ2-CE3 3.94Å; W17-W19 HydrophobicContact CZ2-CH2 4.47Å; W17-W19 HydrophobicContact CZ2-CZ3 4.1Å; W17-W19 HydrophobicContact CZ3-CD2 4.4Å; W19-N21 VanDerWaalsContact CB-OD1 3.25Å; W19-N21 WeakPolarHBondContact CB-OD1 3.48Å; W19-N21 PolarHBondContact O-N 2.7Å; W19-N21 VanDerWaalsContact O-N 3.13Å; W19-E22 PolarHBondContact O-N 2.82Å; W19-Y171 HydrophobicContact CE3-CD2 4.3Å; W19-Y171 HydrophobicContact CE3-CE2 4.06Å; W19-Y171 HydrophobicContact CZ3-CD2 4.35Å; W19-Y171 HydrophobicContact CZ3-CE2 4.36Å; W19-D172 HydrophobicContact CH2-CB 3.94Å; W19-D172 HydrophobicContact CZ3-CB 4.13Å; W19-R198 PolarHBondContact O-NH1 3.46Å | ||
| 20 | P | 92.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -11.1 | -176.3 | 34 | -40.6 | 0 | 0 | 0 | 112.7 | Y171 I178 Y197 F282 P284 T285 | P20-Y171 HydrophobicContact CG-CD2 4.32Å; P20-I178 HydrophobicContact CB-CD1 4.49Å; P20-I178 HydrophobicContact CG-CD1 3.84Å; P20-Y197 HydrophobicContact CB-CD2 4.02Å; P20-Y197 HydrophobicContact CB-CG 3.79Å; P20-F282 HydrophobicContact CB-CD2 4.23Å; P20-F282 HydrophobicContact CB-CE2 3.62Å; P20-F282 HydrophobicContact CB-CZ 4.05Å; P20-F282 HydrophobicContact CG-CD2 3.97Å; P20-F282 HydrophobicContact CG-CE1 4.43Å; P20-F282 HydrophobicContact CG-CE2 3.69Å; P20-F282 HydrophobicContact CG-CG 4.47Å; P20-F282 HydrophobicContact CG-CZ 3.94Å; P20-P284 CarbonylContact O-C 3.52Å; P20-P284 WeakPolarHBondContact O-CA 3.31Å; P20-T285 PolarHBondContact O-N 2.99Å; P20-T285 PolarHBondContact O-OG1 3.07Å |
| 21 | N | 93.2 | Very high | 87.1 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 31% | 0.31 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 12.4 | -177.8 | 72.1 | -21.7 | 0 | 0 | 0 | 114.5 | W19 Y171 F282 Y283 | W19-N21 VanDerWaalsContact CB-OD1 3.25Å; W19-N21 WeakPolarHBondContact CB-OD1 3.48Å; W19-N21 PolarHBondContact O-N 2.7Å; W19-N21 VanDerWaalsContact O-N 3.13Å; N21-Y171 PolarHBondContact ND2-OH 2.92Å; N21-F282 HydrophobicContact CB-CB 4.17Å; N21-F282 HydrophobicContact CB-CD2 4.15Å; N21-Y283 WeakPolarHBondContact CA-O 3.45Å; N21-Y283 WeakPolarHBondContact CB-O 3.34Å |
| 22 | E | 92.9 | Very high | 88.1 | Confident | 49 Ų | 49 | 78.7 Ų | 78.7 | 23% | 0.229 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -61 | 134.6 | 173.5 | -164.6 | -171.3 | -173.6 | 0 | 0 | 109 | K18 W19 A24 R198 T285 | K18-E22 WeakPolarHBondContact CD-OE2 3.46Å; K18-E22 IonicContact NZ-OE1 2.85Å; K18-E22 PolarHBondContact NZ-OE1 3.17Å; K18-E22 IonicContact NZ-OE2 3.23Å; K18-E22 PolarHBondContact NZ-OE2 3.33Å; W19-E22 PolarHBondContact O-N 2.82Å; E22-A24 PolarHBondContact O-N 3.19Å; E22-R198 IonicContact OE2-CZ 3.15Å; E22-R198 IonicContact OE2-NH1 3.47Å; E22-R198 PolarHBondContact OE2-NH1 3.2Å; E22-R198 IonicContact OE2-NH2 2.73Å; E22-R198 PolarHBondContact OE2-NH2 3.07Å; E22-T285 WeakPolarHBondContact O-CB 3.07Å; E22-T285 WeakPolarHBondContact O-CG2 3.45Å; E22-T285 PolarHBondContact O-OG1 3.02Å |
| 23 | P | 92.3 | Very high | 89 | Confident | 108 Ų | 108 | 83.2 Ų | 83.2 | 70% | 0.701 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 136.9 | 177.1 | -27.8 | 35.4 | 0 | 0 | 0 | 112.5 | K25 | P23-K25 PolarHBondContact O-N 3.23Š|
| 24 | A | 91.9 | Very high | 89.9 | Confident | 57 Ų | 57 | 88.1 Ų | 88.1 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 135 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E22 C26 T285 | E22-A24 PolarHBondContact O-N 3.19Å; A24-C26 VanDerWaalsContact C-N 3.34Å; A24-T285 HydrophobicContact CB-CG2 4.14Å; A24-T285 WeakPolarHBondContact CB-O 3.14Å |
| 25 | K | 91.3 | Very high | 90.2 | Very high | 166 Ų | 166 | 92.8 Ų | 92.8 | 72% | 0.722 | 47% | 0.471 | S | S | * | . | trans | -89.5 | -1.1 | 173.4 | -60 | -177.6 | -177.1 | -177 | 0 | 113.3 | P23 | P23-K25 PolarHBondContact O-N 3.23Š| ||
| 26 | C | 91.3 | Very high | 90.6 | Very high | 43 Ų | 43 | 90.6 Ų | 90.6 | 29% | 0.291 | 46% | 0.464 | S | S | . | . | trans | -65.2 | 132.3 | -178.2 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | A24 R240 | A24-C26 VanDerWaalsContact C-N 3.34Å; C26-R240 PolarHBondContact SG-NH1 2.86Å | ||
| 27 | R | 92.1 | Very high | 90.8 | Very high | 203 Ų | 203 | 87.1 Ų | 87.1 | 77% | 0.766 | 45% | 0.454 | S | S | * | . | trans | -98.9 | 17 | -179.9 | -61.4 | -176.3 | -179.7 | -177 | -0.5 | 113.8 | A29 | R27-A29 PolarHBondContact O-N 3.41Š| ||
| 28 | W | 94.2 | Very high | 91.1 | Very high | 46 Ų | 46 | 85 Ų | 85 | 17% | 0.174 | 45% | 0.448 | C | S | . | . | trans | -56.4 | 139.7 | -179.7 | 176.4 | 91.2 | 0 | 0 | 0 | 111.3 | A30 R240 E244 | W28-A30 HydrophobicContact CH2-CB 3.84Å; W28-A30 HydrophobicContact CZ2-CB 3.95Å; W28-R240 HydrophobicContact CD2-CB 4.24Å; W28-R240 VanDerWaalsContact CD2-CD 3.42Å; W28-R240 HydrophobicContact CD2-CG 3.65Å; W28-R240 HydrophobicContact CE3-CG 3.72Å; W28-R240 VanDerWaalsContact CE3-NE 3.34Å; W28-R240 HydrophobicContact CG-CG 4.44Å; W28-R240 HydrophobicContact CH2-CB 3.96Å; W28-R240 HydrophobicContact CH2-CG 3.62Å; W28-R240 VanDerWaalsContact CZ2-CA 3.45Å; W28-R240 HydrophobicContact CZ2-CB 3.46Å; W28-R240 VanDerWaalsContact CZ2-CB 3.46Å; W28-R240 HydrophobicContact CZ2-CG 3.54Å; W28-R240 WeakPolarHBondContact CZ2-O 3.5Å; W28-R240 HydrophobicContact CZ3-CG 3.71Å; W28-E244 HydrophobicContact CZ2-CG 4.22Å; W28-E244 PolarHBondContact NE1-OE1 2.77Å | ||
| 29 | A | 92.5 | Very high | 91 | Very high | 38 Ų | 38 | 84.6 Ų | 84.6 | 31% | 0.314 | 45% | 0.446 | S | S | . | . | trans | -147.3 | 144.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108 | R27 N31 S32 | R27-A29 PolarHBondContact O-N 3.41Å; A29-N31 PolarHBondContact O-N 3.01Å; A29-S32 VanDerWaalsContact O-CB 3.31Å; A29-S32 WeakPolarHBondContact O-CB 3.46Å; A29-S32 PolarHBondContact O-N 2.8Å | ||
| 30 | A | 90.3 | Very high | 91.1 | Very high | 45 Ų | 45 | 82.6 Ų | 82.6 | 37% | 0.372 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | W28 K243 | W28-A30 HydrophobicContact CH2-CB 3.84Å; W28-A30 HydrophobicContact CZ2-CB 3.95Å; A30-K243 HydrophobicContact CB-CB 4.06Å |
| 31 | N | 88 | Confident | 91.1 | Very high | 141 Ų | 141 | 84 Ų | 84 | 75% | 0.754 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | 13.7 | 179 | 65.2 | -19 | 0 | 0 | 0 | 113.3 | A29 K33 | A29-N31 PolarHBondContact O-N 3.01Å; N31-K33 PolarHBondContact O-N 2.77Å |
| 32 | S | 88.8 | Confident | 91 | Very high | 54 Ų | 54 | 89.6 Ų | 89.6 | 38% | 0.378 | 47% | 0.472 | S | S | . | . | trans | -64 | 134.7 | 179.8 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | A29 E34 | A29-S32 VanDerWaalsContact O-CB 3.31Å; A29-S32 WeakPolarHBondContact O-CB 3.46Å; A29-S32 PolarHBondContact O-N 2.8Å; S32-E34 PolarHBondContact OG-N 2.92Å | ||
| 33 | K | 87.9 | Confident | 91.1 | Very high | 207 Ų | 207 | 90.5 Ų | 90.5 | 90% | 0.9 | 47% | 0.474 | S | S | * | . | trans | -95.7 | -5.4 | 170.4 | -63.2 | -176.6 | -179.4 | 179.9 | 0 | 112.2 | N31 | N31-K33 PolarHBondContact O-N 2.77Š| ||
| 34 | E | 89.9 | Confident | 91.1 | Very high | 126 Ų | 126 | 89.9 Ų | 89.9 | 59% | 0.589 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -69.3 | 132.7 | 178.1 | -63.7 | -172.5 | 174.2 | 0 | 0 | 109.6 | S32 S36 | S32-E34 PolarHBondContact OG-N 2.92Å; E34-S36 PolarHBondContact O-N 3.14Å |
| 35 | P | 88.6 | Confident | 90.9 | Very high | 114 Ų | 114 | 90.2 Ų | 90.2 | 74% | 0.74 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -63 | 135.9 | 176.8 | 26.5 | -33.3 | 0 | 0 | 0 | 109.8 | ||
| 36 | S | 90.8 | Very high | 90.7 | Very high | 59 Ų | 59 | 92.1 Ų | 92.1 | 41% | 0.413 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 130.2 | 174 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | E34 H38 H40 | E34-S36 PolarHBondContact O-N 3.14Å; S36-H38 PolarHBondContact O-N 2.77Å; S36-H38 PolarHBondContact OG-CD2 3.09Å; S36-H38 PolarHBondContact OG-N 3.31Å; S36-H40 VanDerWaalsContact CB-NE2 3.34Å; S36-H40 WeakPolarHBondContact CB-NE2 3.42Å; S36-H40 PolarHBondContact OG-NE2 3.2Å |
| 37 | P | 89.8 | Confident | 90.6 | Very high | 66 Ų | 66 | 92.8 Ų | 92.8 | 43% | 0.429 | 47% | 0.471 | S | S | . | . | trans | -77.1 | -8.3 | 174.6 | 31.4 | -34.3 | 0 | 0 | 0 | 112.8 | L9 | L9-P37 HydrophobicContact CD1-CB 4.1Š| ||
| 38 | H | 90.6 | Very high | 90.7 | Very high | 48 Ų | 48 | 86.2 Ų | 86.2 | 22% | 0.222 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -88.7 | 152.1 | -172.1 | -52 | -57 | 0 | 0 | 0 | 112 | S36 H40 L200 I204 | S36-H38 PolarHBondContact O-N 2.77Å; S36-H38 PolarHBondContact OG-CD2 3.09Å; S36-H38 PolarHBondContact OG-N 3.31Å; H38-H40 PolarHBondContact O-CD2 2.8Å; H38-H40 VanDerWaalsContact O-CD2 3.28Å; H38-L200 WeakPolarHBondContact CE1-CD1 3.5Å; H38-L200 WeakPolarHBondContact ND1-CD1 3.22Å; H38-I204 HydrophobicContact CB-CD1 3.66Å |
| 39 | F | 90.6 | Very high | 90.8 | Very high | 47 Ų | 47 | 94.5 Ų | 94.5 | 21% | 0.206 | 49% | 0.492 | C | S | . | . | trans | -70.1 | 129.7 | 167.5 | 174.8 | -90.3 | 0 | 0 | 0 | 109.7 | Y8 E41 R99 R106 I204 | Y8-F39 HydrophobicContact CD1-CB 3.99Å; Y8-F39 HydrophobicContact CD1-CD2 4.43Å; Y8-F39 HydrophobicContact CD2-CB 4.37Å; Y8-F39 AromaticContact CD2-CD2 3.76Å; Y8-F39 HydrophobicContact CD2-CD2 3.76Å; Y8-F39 HydrophobicContact CE1-CD2 4.35Å; Y8-F39 AromaticContact CE2-CD2 3.68Å; Y8-F39 HydrophobicContact CE2-CD2 3.68Å; Y8-F39 HydrophobicContact CE2-CE2 4.31Å; Y8-F39 HydrophobicContact CG-CB 3.9Å; Y8-F39 HydrophobicContact CG-CD2 4.14Å; Y8-F39 AromaticContact CZ-CD2 3.99Å; F39-E41 HydrophobicContact CE1-CG 3.84Å; F39-E41 HydrophobicContact CZ-CG 4.31Å; F39-R99 PolarHBondContact O-NH2 3.24Å; F39-R106 VanDerWaalsContact CE1-NH2 3.26Å; F39-I204 WeakPolarHBondContact O-CD1 3.32Å | ||
| 40 | H | 94 | Very high | 91 | Very high | 59 Ų | 59 | 99.9 Ų | 99.9 | 27% | 0.273 | 51% | 0.514 | S | S | . | . | trans | -117.5 | 131.3 | 176.3 | -72.7 | -81.5 | 0 | 0 | 0 | 110.5 | S36 H38 Y207 D208 | S36-H40 VanDerWaalsContact CB-NE2 3.34Å; S36-H40 WeakPolarHBondContact CB-NE2 3.42Å; S36-H40 PolarHBondContact OG-NE2 3.2Å; H38-H40 PolarHBondContact O-CD2 2.8Å; H38-H40 VanDerWaalsContact O-CD2 3.28Å; H40-Y207 AromaticContact CE1-CD1 3.69Å; H40-Y207 AromaticContact CE1-CE1 3.43Å; H40-Y207 VanDerWaalsContact CE1-CE1 3.43Å; H40-Y207 WeakPolarHBondContact CE1-CE1 2.93Å; H40-Y207 AromaticContact ND1-CD1 3.78Å; H40-Y207 AromaticContact ND1-CE1 3.68Å; H40-D208 WeakPolarHBondContact CA-OD2 3.31Å; H40-D208 IonicContact CE1-OD1 2.64Å; H40-D208 IonicContact CG-OD1 3.75Å; H40-D208 IonicContact ND1-OD1 3.19Å; H40-D208 PolarHBondContact ND1-OD1 3Å; H40-D208 IonicContact ND1-OD2 3.11Å | ||
| 41 | E | 92.2 | Very high | 91.4 | Very high | 31 Ų | 31 | 101.2 Ų | 101.2 | 15% | 0.145 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 132.5 | 170.8 | -101.7 | 145.8 | -134.8 | 0 | 0 | 110.5 | F39 K45 R99 D208 | F39-E41 HydrophobicContact CE1-CG 3.84Å; F39-E41 HydrophobicContact CZ-CG 4.31Å; E41-K45 WeakPolarHBondContact OE2-CE 3.4Å; E41-K45 IonicContact OE2-NZ 3.5Å; E41-K45 PolarHBondContact OE2-NZ 3.07Å; E41-R99 IonicContact OE1-CZ 4Å; E41-R99 IonicContact OE1-NE 2.78Å; E41-R99 IonicContact OE1-NH1 3.96Å; E41-R99 PolarHBondContact OE1-NH1 3.04Å; E41-R99 IonicContact OE2-NH1 3.81Å; E41-R99 PolarHBondContact OE2-NH1 3.43Å; E41-D208 HydrophobicContact CB-CB 4.44Å; E41-D208 PolarHBondContact N-OD2 2.93Å |
| 42 | Q | 91.8 | Very high | 91.8 | Very high | 175 Ų | 175 | 98.4 Ų | 98.4 | 82% | 0.818 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 139.8 | 176.1 | -66.1 | -176.1 | -5.1 | 0 | 0 | 111.4 | Q209 | Q42-Q209 PolarHBondContact O-NE2 2.83Š|
| 43 | Y | 94.5 | Very high | 92.3 | Very high | 68 Ų | 68 | 98.7 Ų | 98.7 | 27% | 0.267 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -101.7 | 141.4 | 168.4 | 179.3 | -91.6 | 0 | 0 | 0 | 110.4 | E212 E213 D216 | Y43-E212 HydrophobicContact CD1-CB 3.77Å; Y43-E212 HydrophobicContact CD2-CB 3.88Å; Y43-E212 HydrophobicContact CE1-CB 4.37Å; Y43-E212 HydrophobicContact CE2-CB 4.47Å; Y43-E212 HydrophobicContact CG-CB 3.5Å; Y43-E212 VanDerWaalsContact CG-CB 3.5Å; Y43-E212 HydrophobicContact CG-CG 4.34Å; Y43-E213 HydrophobicContact CD2-CG 4.34Å; Y43-E213 HydrophobicContact CE2-CB 4.31Å; Y43-E213 HydrophobicContact CE2-CG 3.53Å; Y43-D216 HydrophobicContact CE1-CB 3.79Å; Y43-D216 PolarHBondContact OH-OD2 3.03Å |
| 44 | P | 91.6 | Very high | 92.7 | Very high | 94 Ų | 94 | 92.1 Ų | 92.1 | 61% | 0.61 | 48% | 0.478 | S | S | * | . | S | Bend | cis | -77.5 | 145.6 | -8.5 | 31.6 | -34 | 0 | 0 | 0 | 111.8 | K46 | P44-K46 PolarHBondContact O-N 3.02Š|
| 45 | K | 88 | Confident | 93.1 | Very high | 65 Ų | 65 | 86.5 Ų | 86.5 | 28% | 0.283 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 120.3 | 168.2 | -78.6 | -176.1 | -180 | -166.5 | 0 | 109.7 | E41 V47 | E41-K45 WeakPolarHBondContact OE2-CE 3.4Å; E41-K45 IonicContact OE2-NZ 3.5Å; E41-K45 PolarHBondContact OE2-NZ 3.07Å; K45-V47 PolarHBondContact O-N 2.89Å |
| 46 | K | 87.6 | Confident | 93.5 | Very high | 206 Ų | 206 | 85.9 Ų | 85.9 | 90% | 0.896 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 122.8 | 171.8 | -68.3 | -177.5 | -179.8 | 178.2 | 0 | 109.4 | P44 | P44-K46 PolarHBondContact O-N 3.02Š|
| 47 | V | 89.8 | Confident | 93.8 | Very high | 57 Ų | 57 | 84.9 Ų | 84.9 | 35% | 0.345 | 43% | 0.431 | S | S | . | . | trans | -118 | 136.4 | 173.8 | -67.8 | 0 | 0 | 0 | 0 | 110.1 | K45 L51 Y56 | K45-V47 PolarHBondContact O-N 2.89Å; V47-L51 HydrophobicContact CB-CD2 4.16Å; V47-Y56 HydrophobicContact CG1-CD1 4.39Å | ||
| 48 | P | 94 | Very high | 94.2 | Very high | 64 Ų | 64 | 82.3 Ų | 82.3 | 42% | 0.416 | 41% | 0.414 | S | S | . | . | trans | -68.6 | 161.9 | 174.7 | 30.6 | -36.4 | 0 | 0 | 0 | 111.1 | I50 P52 | P48-I50 VanDerWaalsContact C-N 3.31Å; P48-I50 WeakPolarHBondContact CG-O 3.33Å; P48-I50 PolarHBondContact O-N 2.9Å; P48-P52 HydrophobicContact CG-CG 4.02Å | ||
| 49 | K | 95.6 | Very high | 94.6 | Very high | 220 Ų | 220 | 80.5 Ų | 80.5 | 96% | 0.957 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -60.9 | -39.8 | 177.7 | -68.8 | -174.6 | 178.2 | -178.8 | 0 | 112.6 | ||
| 50 | I | 97.5 | Very high | 94.9 | Very high | 151 Ų | 151 | 82.8 Ų | 82.8 | 77% | 0.774 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -101.6 | 114.8 | 171.3 | -60.3 | 174.6 | 0 | 0 | 0 | 106.4 | P48 | P48-I50 VanDerWaalsContact C-N 3.31Å; P48-I50 WeakPolarHBondContact CG-O 3.33Å; P48-I50 PolarHBondContact O-N 2.9Å |
| 51 | L | 97.5 | Very high | 95.1 | Very high | 73 Ų | 73 | 80.1 Ų | 80.1 | 38% | 0.382 | 40% | 0.403 | S | S | . | . | trans | -67.8 | 130.4 | -179.7 | -57.3 | -175.6 | 0 | 0 | 0 | 109.9 | V47 N53 A57 | V47-L51 HydrophobicContact CB-CD2 4.16Å; L51-N53 VanDerWaalsContact C-N 3.25Å; L51-N53 PolarHBondContact O-N 3.36Å; L51-A57 HydrophobicContact CD1-CB 4.02Å | ||
| 52 | P | 97.4 | Very high | 95.3 | Very high | 82 Ų | 82 | 81 Ų | 81 | 53% | 0.532 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -63.6 | -30.7 | -177.8 | -24.5 | 35.2 | 0 | 0 | 0 | 113.6 | P48 Y56 | P48-P52 HydrophobicContact CG-CG 4.02Å; P52-Y56 HydrophobicContact CB-CD2 4.21Å; P52-Y56 HydrophobicContact CB-CE2 3.9Å; P52-Y56 HydrophobicContact CG-CD2 4.11Å; P52-Y56 HydrophobicContact CG-CE1 4.25Å; P52-Y56 HydrophobicContact CG-CE2 3.83Å; P52-Y56 HydrophobicContact CG-CG 4.44Å |
| 53 | N | 97.9 | Very high | 95.7 | Very high | 61 Ų | 61 | 74.5 Ų | 74.5 | 33% | 0.326 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -161.2 | 176.7 | 172 | 60.1 | 55.7 | 0 | 0 | 0 | 109.7 | L51 L55 Y56 V134 | L51-N53 VanDerWaalsContact C-N 3.25Å; L51-N53 PolarHBondContact O-N 3.36Å; N53-L55 PolarHBondContact O-N 2.85Å; N53-L55 VanDerWaalsContact OD1-CB 3.24Å; N53-L55 WeakPolarHBondContact OD1-CB 3.27Å; N53-L55 PolarHBondContact OD1-N 3.23Å; N53-Y56 PolarHBondContact O-N 2.84Å; N53-Y56 WeakPolarHBondContact OD1-CD2 3.4Å; N53-V134 HydrophobicContact CB-CG1 4.03Å |
| 54 | V | 97.9 | Very high | 95.8 | Very high | 68 Ų | 68 | 73.9 Ų | 73.9 | 41% | 0.412 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -64.4 | -22.8 | -175.5 | 75.4 | 0 | 0 | 0 | 0 | 114 | Y56 A57 A88 M130 V134 | V54-Y56 PolarHBondContact O-N 3.49Å; V54-A57 VanDerWaalsContact O-CB 3.28Å; V54-A57 WeakPolarHBondContact O-CB 3.05Å; V54-A57 PolarHBondContact O-N 3.31Å; V54-A88 HydrophobicContact CG2-CB 3.73Å; V54-M130 HydrophobicContact CG1-CG 4.33Å; V54-M130 HydrophobicContact CG1-SD 4.34Å; V54-V134 HydrophobicContact CG1-CG2 3.79Å |
| 55 | L | 97.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 75.8 Ų | 75.8 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -66.3 | -26.5 | 179.4 | -52.2 | -179.8 | 0 | 0 | 0 | 111.8 | N53 A57 V58 L98 M130 V131 V134 K135 | N53-L55 PolarHBondContact O-N 2.85Å; N53-L55 VanDerWaalsContact OD1-CB 3.24Å; N53-L55 WeakPolarHBondContact OD1-CB 3.27Å; N53-L55 PolarHBondContact OD1-N 3.23Å; L55-A57 PolarHBondContact O-N 3.37Å; L55-V58 WeakPolarHBondContact O-CB 3.36Å; L55-V58 WeakPolarHBondContact O-CG2 3.37Å; L55-V58 PolarHBondContact O-N 3.31Å; L55-V58 VanDerWaalsContact O-N 3.11Å; L55-L98 HydrophobicContact CB-CD1 4.09Å; L55-L98 HydrophobicContact CB-CD2 4.37Å; L55-L98 HydrophobicContact CD1-CD1 4.01Å; L55-M130 HydrophobicContact CD2-CE 4.03Å; L55-M130 HydrophobicContact CD2-CG 4.17Å; L55-V131 HydrophobicContact CD1-CG1 4.41Å; L55-V131 HydrophobicContact CD2-CB 4.45Å; L55-V131 HydrophobicContact CD2-CG2 3.86Å; L55-V134 HydrophobicContact CD1-CB 3.97Å; L55-V134 HydrophobicContact CD1-CG1 3.74Å; L55-V134 HydrophobicContact CD2-CB 4.42Å; L55-V134 HydrophobicContact CD2-CG2 4.2Å; L55-V134 HydrophobicContact CG-CB 4.14Å; L55-V134 HydrophobicContact CG-CG1 3.95Å; L55-V134 HydrophobicContact CG-CG2 4.2Å; L55-K135 HydrophobicContact CD1-CD 4.27Å; L55-K135 HydrophobicContact CD1-CG 4.23Å |
| 56 | Y | 97.2 | Very high | 96.6 | Very high | 102 Ų | 102 | 73.1 Ų | 73.1 | 40% | 0.4 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -71.7 | -4.1 | 171.7 | -72.4 | -102.7 | 0 | 0 | 0 | 113.3 | V47 P52 N53 V54 R60 | V47-Y56 HydrophobicContact CG1-CD1 4.39Å; P52-Y56 HydrophobicContact CB-CD2 4.21Å; P52-Y56 HydrophobicContact CB-CE2 3.9Å; P52-Y56 HydrophobicContact CG-CD2 4.11Å; P52-Y56 HydrophobicContact CG-CE1 4.25Å; P52-Y56 HydrophobicContact CG-CE2 3.83Å; P52-Y56 HydrophobicContact CG-CG 4.44Å; N53-Y56 PolarHBondContact O-N 2.84Å; N53-Y56 WeakPolarHBondContact OD1-CD2 3.4Å; V54-Y56 PolarHBondContact O-N 3.49Å; Y56-R60 PolarHBondContact O-NH2 2.79Å |
| 57 | A | 97.2 | Very high | 96.9 | Very high | 37 Ų | 37 | 67.4 Ų | 67.4 | 31% | 0.306 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -91.6 | -0.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L51 V54 L55 A88 | L51-A57 HydrophobicContact CD1-CB 4.02Å; V54-A57 VanDerWaalsContact O-CB 3.28Å; V54-A57 WeakPolarHBondContact O-CB 3.05Å; V54-A57 PolarHBondContact O-N 3.31Å; L55-A57 PolarHBondContact O-N 3.37Å; A57-A88 HydrophobicContact CB-CB 4.34Å |
| 58 | V | 98 | Very high | 97.1 | Very high | 13 Ų | 13 | 71.9 Ų | 71.9 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -77.6 | 132.3 | 171.7 | 179.8 | 0 | 0 | 0 | 0 | 110 | L55 R60 A88 D94 R95 L98 M130 | L55-V58 WeakPolarHBondContact O-CB 3.36Å; L55-V58 WeakPolarHBondContact O-CG2 3.37Å; L55-V58 PolarHBondContact O-N 3.31Å; L55-V58 VanDerWaalsContact O-N 3.11Å; V58-R60 PolarHBondContact O-NH2 3.3Å; V58-A88 HydrophobicContact CG2-CB 4.29Å; V58-D94 HydrophobicContact CG1-CB 4.07Å; V58-D94 HydrophobicContact CG2-CB 4Å; V58-R95 HydrophobicContact CG1-CB 4.36Å; V58-R95 HydrophobicContact CG1-CG 3.87Å; V58-L98 HydrophobicContact CB-CD2 4.11Å; V58-L98 HydrophobicContact CG1-CD2 4.41Å; V58-L98 HydrophobicContact CG2-CD2 4.42Å; V58-M130 HydrophobicContact CG2-CE 4.13Å |
| 59 | G | 97.8 | Very high | 96.9 | Very high | 9 Ų | 9 | 69.3 Ų | 69.3 | 9% | 0.093 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 90 | -170.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | T61 N87 | G59-T61 PolarHBondContact O-N 2.92Å; G59-N87 PolarHBondContact N-OD1 3.24Å |
| 60 | R | 97.6 | Very high | 96.7 | Very high | 96 Ų | 96 | 59.1 Ų | 59.1 | 36% | 0.362 | 30% | 0.299 | S | S | . | . | trans | 54.6 | 39 | -176.3 | -62.9 | 164.9 | -70.2 | -68 | -16.6 | 112.7 | Y56 V58 E213 | Y56-R60 PolarHBondContact O-NH2 2.79Å; V58-R60 PolarHBondContact O-NH2 3.3Å; R60-E213 PolarHBondContact N-OE1 3.37Å; R60-E213 PolarHBondContact N-OE2 3.1Å | ||
| 61 | T | 97.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | trans | -74.9 | 150.4 | -175 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | G59 K82 C83 E84 R95 E213 Q217 | G59-T61 PolarHBondContact O-N 2.92Å; T61-K82 PolarHBondContact O-NZ 3.44Å; T61-K82 WeakPolarHBondContact OG1-CE 3.22Å; T61-K82 PolarHBondContact OG1-NZ 3.29Å; T61-K82 VanDerWaalsContact OG1-NZ 3.07Å; T61-C83 WeakPolarHBondContact CB-O 3.24Å; T61-E84 WeakPolarHBondContact CB-OE1 3.13Å; T61-E84 WeakPolarHBondContact CG2-OE1 3.25Å; T61-E84 PolarHBondContact OG1-OE1 2.87Å; T61-R95 PolarHBondContact OG1-NH2 2.98Å; T61-R95 VanDerWaalsContact OG1-NH2 3.17Å; T61-E213 PolarHBondContact N-OE2 3Å; T61-Q217 PolarHBondContact O-NE2 3.5Å | ||
| 62 | P | 98 | Very high | 96.2 | Very high | 49 Ų | 49 | 61.9 Ų | 61.9 | 32% | 0.318 | 30% | 0.304 | S | S | . | . | trans | -63.4 | 145 | -179.9 | -22.3 | 33.9 | 0 | 0 | 0 | 113.1 | V64 C83 F86 | P62-V64 HydrophobicContact CB-CG2 3.94Å; P62-C83 PolarHBondContact O-N 3.23Å; P62-F86 HydrophobicContact CG-CD2 3.82Å; P62-F86 HydrophobicContact CG-CE2 4.08Å; P62-F86 HydrophobicContact CG-CG 4.16Å | ||
| 63 | L | 98.5 | Very high | 96 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 116 | 163.5 | -172.1 | 73.4 | 0 | 0 | 0 | 107.9 | L80 V81 K82 Q217 C218 V361 | L63-L80 HydrophobicContact CD1-CB 4.07Å; L63-L80 HydrophobicContact CD2-CD1 3.96Å; L63-L80 HydrophobicContact CG-CB 4.22Å; L63-L80 HydrophobicContact CG-CD1 4.46Å; L63-V81 CarbonylContact C-O 3.53Å; L63-V81 WeakPolarHBondContact CA-O 3.41Å; L63-K82 HydrophobicContact CD1-CB 4.11Å; L63-K82 HydrophobicContact CD1-CD 4.3Å; L63-Q217 HydrophobicContact CB-CB 4.18Å; L63-Q217 HydrophobicContact CB-CG 4.48Å; L63-Q217 HydrophobicContact CD2-CB 3.7Å; L63-C218 WeakPolarHBondContact CD2-SG 3.07Å; L63-V361 HydrophobicContact CD1-CG1 3.91Å |
| 64 | V | 97.9 | Very high | 95.9 | Very high | 54 Ų | 54 | 59.6 Ų | 59.6 | 33% | 0.327 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.5 | -169 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | P62 L80 V81 | P62-V64 HydrophobicContact CB-CG2 3.94Å; V64-L80 CarbonylContact O-C 3.27Å; V64-L80 WeakPolarHBondContact O-CA 3.34Å; V64-V81 HydrophobicContact CB-CG2 3.96Å; V64-V81 PolarHBondContact N-O 3.14Å; V64-V81 WeakPolarHBondContact O-CG2 3.38Å; V64-V81 PolarHBondContact O-N 3.16Å |
| 65 | R | 98.1 | Very high | 95.8 | Very high | 134 Ų | 134 | 57.3 Ų | 57.3 | 51% | 0.506 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 134.4 | 176.1 | -177 | 179.8 | -64 | 107.4 | 2.6 | 111.3 | N67 E78 L80 | R65-N67 PolarHBondContact O-ND2 3.07Å; R65-E78 IonicContact CZ-OE1 3.27Å; R65-E78 IonicContact NE-OE1 2.76Å; R65-E78 PolarHBondContact NE-OE1 2.87Å; R65-E78 IonicContact NH2-OE1 2.75Å; R65-E78 PolarHBondContact NH2-OE1 3.29Å; R65-L80 HydrophobicContact CB-CD2 3.97Å; R65-L80 HydrophobicContact CG-CD2 4.29Å |
| 66 | I | 97 | Very high | 95.8 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 5% | 0.051 | 32% | 0.323 | C | S | . | . | trans | -87.1 | 122.2 | 170.3 | -60.2 | -61.1 | 0 | 0 | 0 | 109.1 | L69 L79 V81 L310 E314 I316 M344 | I66-L69 HydrophobicContact CG2-CB 3.79Å; I66-L79 HydrophobicContact CB-CB 4.22Å; I66-L79 HydrophobicContact CB-CD2 4.23Å; I66-L79 HydrophobicContact CB-CG 4.15Å; I66-L79 HydrophobicContact CG1-CD2 4.46Å; I66-L79 HydrophobicContact CG1-CG 4.21Å; I66-L79 HydrophobicContact CG2-CD2 4.15Å; I66-L79 PolarHBondContact N-O 3.42Å; I66-V81 HydrophobicContact CD1-CB 4.35Å; I66-V81 HydrophobicContact CD1-CG1 3.66Å; I66-V81 HydrophobicContact CD1-CG2 3.72Å; I66-V81 HydrophobicContact CG1-CG1 3.67Å; I66-V81 HydrophobicContact CG1-CG2 4.21Å; I66-L310 HydrophobicContact CD1-CD2 3.97Å; I66-E314 HydrophobicContact CD1-CB 4.44Å; I66-E314 HydrophobicContact CD1-CG 3.99Å; I66-E314 HydrophobicContact CG2-CG 4.23Å; I66-E314 WeakPolarHBondContact CG2-OE1 3.29Å; I66-I316 HydrophobicContact CD1-CD1 3.53Å; I66-M344 HydrophobicContact CG1-CE 4.13Å; I66-M344 HydrophobicContact CG2-CE 3.85Å | ||
| 67 | N | 94.7 | Very high | 95.8 | Very high | 85 Ų | 85 | 60.3 Ų | 60.3 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | trans | -106.4 | -31 | -169.2 | -62.6 | -68.1 | 0 | 0 | 0 | 113.9 | R65 K71 E314 | R65-N67 PolarHBondContact O-ND2 3.07Å; N67-K71 VanDerWaalsContact O-CD 3.31Å; N67-K71 WeakPolarHBondContact O-CD 2.94Å; N67-K71 WeakPolarHBondContact O-CE 3.22Å; N67-E314 PolarHBondContact N-OE1 3.03Å; N67-E314 PolarHBondContact N-OE2 3.39Å | ||
| 68 | R | 93.2 | Very high | 95.9 | Very high | 151 Ų | 151 | 61.1 Ų | 61.1 | 57% | 0.57 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -105.8 | -53.3 | -174.2 | -57.9 | -170.5 | -178.8 | 167.6 | -5.4 | 111.7 | G70 K71 E72 K313 E314 | R68-G70 PolarHBondContact O-N 3.27Å; R68-K71 PolarHBondContact O-N 2.87Å; R68-K71 VanDerWaalsContact O-N 3.14Å; R68-E72 WeakPolarHBondContact O-CG 3.06Å; R68-E72 PolarHBondContact O-N 2.91Å; R68-K313 HydrophobicContact CB-CB 4.31Å; R68-K313 VanDerWaalsContact CD-O 3.31Å; R68-K313 WeakPolarHBondContact CD-O 3.19Å; R68-K313 PolarHBondContact NH1-O 3.46Å; R68-E314 VanDerWaalsContact CA-OE1 3.31Å; R68-E314 WeakPolarHBondContact CA-OE1 3.33Å; R68-E314 WeakPolarHBondContact CB-OE1 3.41Å; R68-E314 PolarHBondContact N-OE1 2.87Å |
| 69 | L | 90.2 | Very high | 95.9 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | -174.1 | -76.3 | 175.2 | 0 | 0 | 0 | 113.1 | I66 K71 E72 A73 A309 L310 K313 E314 M344 | I66-L69 HydrophobicContact CG2-CB 3.79Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.34Å; L69-E72 PolarHBondContact O-N 3.25Å; L69-A73 WeakPolarHBondContact O-CB 3.21Å; L69-A73 PolarHBondContact O-N 2.82Å; L69-A309 HydrophobicContact CD2-CB 3.88Å; L69-L310 HydrophobicContact CD1-CB 4.45Å; L69-L310 HydrophobicContact CD1-CD2 3.68Å; L69-L310 HydrophobicContact CD1-CG 3.87Å; L69-K313 HydrophobicContact CD2-CD 3.66Å; L69-K313 HydrophobicContact CG-CB 4.42Å; L69-K313 HydrophobicContact CG-CD 4.27Å; L69-E314 HydrophobicContact CD1-CG 4.16Å; L69-E314 HydrophobicContact CG-CG 4.37Å; L69-E314 PolarHBondContact N-OE1 3.47Å; L69-M344 HydrophobicContact CB-CE 3.96Å; L69-M344 HydrophobicContact CD1-CE 3.95Å |
| 70 | G | 91.5 | Very high | 95.9 | Very high | 6 Ų | 6 | 60.9 Ų | 60.9 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R68 A73 G74 L75 | R68-G70 PolarHBondContact O-N 3.27Å; G70-A73 PolarHBondContact O-N 3.26Å; G70-G74 PolarHBondContact O-N 2.82Å; G70-L75 WeakPolarHBondContact O-CB 3.48Å; G70-L75 PolarHBondContact O-N 2.81Å |
| 71 | K | 93.1 | Very high | 96 | Very high | 166 Ų | 166 | 56.3 Ų | 56.3 | 72% | 0.722 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.3 | -43.7 | 177.7 | -66 | -175.2 | -176.4 | 177.8 | 0 | 112.2 | N67 R68 L69 A73 G74 | N67-K71 VanDerWaalsContact O-CD 3.31Å; N67-K71 WeakPolarHBondContact O-CD 2.94Å; N67-K71 WeakPolarHBondContact O-CE 3.22Å; R68-K71 PolarHBondContact O-N 2.87Å; R68-K71 VanDerWaalsContact O-N 3.14Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.34Å; K71-A73 PolarHBondContact O-N 2.55Å; K71-G74 PolarHBondContact O-N 3.04Å |
| 72 | E | 92.3 | Very high | 96 | Very high | 116 Ų | 116 | 56.2 Ų | 56.2 | 54% | 0.542 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.1 | -31.2 | 177.2 | -71 | 175.1 | 174.5 | 0 | 0 | 112.5 | R68 L69 G74 K313 | R68-E72 WeakPolarHBondContact O-CG 3.06Å; R68-E72 PolarHBondContact O-N 2.91Å; L69-E72 PolarHBondContact O-N 3.25Å; E72-G74 VanDerWaalsContact C-N 3.25Å; E72-G74 PolarHBondContact O-N 2.92Å; E72-K313 IonicContact OE1-NZ 3.33Å; E72-K313 PolarHBondContact OE1-NZ 3.45Å; E72-K313 WeakPolarHBondContact OE2-CD 3.33Å; E72-K313 IonicContact OE2-NZ 2.77Å; E72-K313 PolarHBondContact OE2-NZ 2.82Å |
| 73 | A | 92.1 | Very high | 96 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 31% | 0.306 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -0.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.9 | L69 G70 K71 L75 L348 | L69-A73 WeakPolarHBondContact O-CB 3.21Å; L69-A73 PolarHBondContact O-N 2.82Å; G70-A73 PolarHBondContact O-N 3.26Å; K71-A73 PolarHBondContact O-N 2.55Å; A73-L75 VanDerWaalsContact C-N 3.35Å; A73-L75 HydrophobicContact CB-CG 4.23Å; A73-L348 HydrophobicContact CB-CB 4.47Å; A73-L348 HydrophobicContact CB-CD2 3.78Å |
| 74 | G | 95.4 | Very high | 95.9 | Very high | 59 Ų | 59 | 52 Ų | 52 | 61% | 0.608 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 19.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G70 K71 E72 | G70-G74 PolarHBondContact O-N 2.82Å; K71-G74 PolarHBondContact O-N 3.04Å; E72-G74 VanDerWaalsContact C-N 3.25Å; E72-G74 PolarHBondContact O-N 2.92Å |
| 75 | L | 96.8 | Very high | 95.7 | Very high | 20 Ų | 20 | 50.9 Ų | 50.9 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | trans | -72.4 | 139.2 | 179 | -57.5 | -176.4 | 0 | 0 | 0 | 111.2 | G70 A73 L79 L348 A351 K352 | G70-L75 WeakPolarHBondContact O-CB 3.48Å; G70-L75 PolarHBondContact O-N 2.81Å; A73-L75 VanDerWaalsContact C-N 3.35Å; A73-L75 HydrophobicContact CB-CG 4.23Å; L75-L79 HydrophobicContact CD1-CD2 3.97Å; L75-L348 HydrophobicContact CD1-CD2 3.88Å; L75-A351 HydrophobicContact CD1-CB 3.93Å; L75-A351 HydrophobicContact CD2-CB 4.12Å; L75-K352 HydrophobicContact CD2-CB 4.41Å; L75-K352 HydrophobicContact CD2-CG 3.84Å | ||
| 76 | K | 97.2 | Very high | 95.7 | Very high | 159 Ų | 159 | 50.4 Ų | 50.4 | 69% | 0.691 | 25% | 0.25 | S | S | * | . | trans | -96.1 | -24.6 | 176.9 | -61.1 | -177.1 | -178.9 | -179.8 | 0 | 113 | E356 | K76-E356 WeakPolarHBondContact O-CA 3.5Š| ||
| 77 | C | 98.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 9% | 0.088 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -74.9 | 164 | 178.8 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | L354 K355 Q358 | C77-L354 HydrophobicContact CB-CB 3.59Å; C77-L354 HydrophobicContact CB-CD1 4.13Å; C77-K355 WeakPolarHBondContact CA-O 3.41Å; C77-Q358 WeakPolarHBondContact CA-O 3.34Å; C77-Q358 HydrophobicContact CB-CB 4.35Å; C77-Q358 VanDerWaalsContact CB-O 3.27Å; C77-Q358 WeakPolarHBondContact CB-O 3.49Å |
| 78 | E | 98.2 | Very high | 95.8 | Very high | 55 Ų | 55 | 48 Ų | 48 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 123.7 | 167.7 | -177.2 | 173.9 | -142 | 0 | 0 | 109.8 | R65 L80 Q358 K359 C360 | R65-E78 IonicContact CZ-OE1 3.27Å; R65-E78 IonicContact NE-OE1 2.76Å; R65-E78 PolarHBondContact NE-OE1 2.87Å; R65-E78 IonicContact NH2-OE1 2.75Å; R65-E78 PolarHBondContact NH2-OE1 3.29Å; E78-L80 HydrophobicContact CG-CD2 3.82Å; E78-L80 HydrophobicContact CG-CG 4.06Å; E78-Q358 PolarHBondContact N-O 2.88Å; E78-K359 HydrophobicContact CB-CG 4.25Å; E78-K359 WeakPolarHBondContact O-CA 3.48Å; E78-K359 WeakPolarHBondContact OE2-CD 2.94Å; E78-K359 WeakPolarHBondContact OE2-CE 3Å; E78-C360 PolarHBondContact O-N 2.91Å |
| 79 | L | 98.2 | Very high | 96 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122.6 | 177.7 | -171.8 | 61.5 | 0 | 0 | 0 | 110.1 | I66 L75 M344 A347 L348 C360 V362 | I66-L79 HydrophobicContact CB-CB 4.22Å; I66-L79 HydrophobicContact CB-CD2 4.23Å; I66-L79 HydrophobicContact CB-CG 4.15Å; I66-L79 HydrophobicContact CG1-CD2 4.46Å; I66-L79 HydrophobicContact CG1-CG 4.21Å; I66-L79 HydrophobicContact CG2-CD2 4.15Å; I66-L79 PolarHBondContact N-O 3.42Å; L75-L79 HydrophobicContact CD1-CD2 3.97Å; L79-M344 HydrophobicContact CD2-CE 3.38Å; L79-M344 HydrophobicContact CD2-SD 4.24Å; L79-M344 HydrophobicContact CG-CE 4.35Å; L79-A347 HydrophobicContact CD1-CB 4.45Å; L79-L348 HydrophobicContact CD2-CD2 3.89Å; L79-C360 HydrophobicContact CD1-CB 3.78Å; L79-V362 HydrophobicContact CD1-CG2 3.73Å |
| 80 | L | 98.6 | Very high | 96.3 | Very high | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 147.3 | -175.9 | -56.3 | 174.5 | 0 | 0 | 0 | 109.7 | L63 V64 R65 E78 K359 C360 V361 V362 | L63-L80 HydrophobicContact CD1-CB 4.07Å; L63-L80 HydrophobicContact CD2-CD1 3.96Å; L63-L80 HydrophobicContact CG-CB 4.22Å; L63-L80 HydrophobicContact CG-CD1 4.46Å; V64-L80 CarbonylContact O-C 3.27Å; V64-L80 WeakPolarHBondContact O-CA 3.34Å; R65-L80 HydrophobicContact CB-CD2 3.97Å; R65-L80 HydrophobicContact CG-CD2 4.29Å; E78-L80 HydrophobicContact CG-CD2 3.82Å; E78-L80 HydrophobicContact CG-CG 4.06Å; L80-K359 HydrophobicContact CD1-CD 4.15Å; L80-C360 PolarHBondContact N-O 3.06Å; L80-V361 HydrophobicContact CB-CG2 4.23Å; L80-V361 HydrophobicContact CD1-CG2 4.29Å; L80-V361 CarbonylContact O-C 3.59Å; L80-V361 WeakPolarHBondContact O-CA 3.02Å; L80-V362 PolarHBondContact O-N 3.39Å |
| 81 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.8 | 175.1 | -70.6 | 0 | 0 | 0 | 0 | 111.2 | L63 V64 I66 I316 M344 V362 L364 | L63-V81 CarbonylContact C-O 3.53Å; L63-V81 WeakPolarHBondContact CA-O 3.41Å; V64-V81 HydrophobicContact CB-CG2 3.96Å; V64-V81 PolarHBondContact N-O 3.14Å; V64-V81 WeakPolarHBondContact O-CG2 3.38Å; V64-V81 PolarHBondContact O-N 3.16Å; I66-V81 HydrophobicContact CD1-CB 4.35Å; I66-V81 HydrophobicContact CD1-CG1 3.66Å; I66-V81 HydrophobicContact CD1-CG2 3.72Å; I66-V81 HydrophobicContact CG1-CG1 3.67Å; I66-V81 HydrophobicContact CG1-CG2 4.21Å; V81-I316 HydrophobicContact CG2-CD1 3.78Å; V81-M344 HydrophobicContact CG1-SD 4.37Å; V81-V362 CarbonylContact C-O 3.49Å; V81-V362 VanDerWaalsContact CA-O 3.27Å; V81-V362 WeakPolarHBondContact CA-O 3.24Å; V81-V362 HydrophobicContact CG1-CB 4.12Å; V81-L364 HydrophobicContact CB-CD1 3.64Å; V81-L364 HydrophobicContact CB-CG 3.86Å; V81-L364 HydrophobicContact CG1-CD1 3.83Å; V81-L364 HydrophobicContact CG1-CD2 4.15Å; V81-L364 HydrophobicContact CG1-CG 4Å; V81-L364 HydrophobicContact CG2-CD1 3.94Å |
| 82 | K | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 107 | 174.9 | -175.6 | 63 | 165.3 | 169.3 | 0 | 108.6 | T61 L63 E84 E213 I214 V361 V362 L363 L364 | T61-K82 PolarHBondContact O-NZ 3.44Å; T61-K82 WeakPolarHBondContact OG1-CE 3.22Å; T61-K82 PolarHBondContact OG1-NZ 3.29Å; T61-K82 VanDerWaalsContact OG1-NZ 3.07Å; L63-K82 HydrophobicContact CD1-CB 4.11Å; L63-K82 HydrophobicContact CD1-CD 4.3Å; K82-E84 PolarHBondContact O-N 3.38Å; K82-E84 VanDerWaalsContact O-N 3.13Å; K82-E213 WeakPolarHBondContact CE-OE2 3.46Å; K82-E213 IonicContact NZ-OE2 3.91Å; K82-E213 PolarHBondContact NZ-OE2 2.92Å; K82-I214 HydrophobicContact CD-CG1 4.14Å; K82-I214 HydrophobicContact CG-CD1 4.34Å; K82-I214 HydrophobicContact CG-CG1 4.2Å; K82-V361 HydrophobicContact CB-CG1 4.39Å; K82-V362 PolarHBondContact N-O 3.04Å; K82-L363 HydrophobicContact CB-CD1 4.04Å; K82-L363 HydrophobicContact CG-CD1 3.93Å; K82-L364 PolarHBondContact O-N 3.31Å |
| 83 | C | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 79.6 | -166.9 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | T61 P62 Y85 F86 | T61-C83 WeakPolarHBondContact CB-O 3.24Å; P62-C83 PolarHBondContact O-N 3.23Å; C83-Y85 HydrophobicContact CB-CD1 4.23Å; C83-Y85 HydrophobicContact CB-CE1 3.6Å; C83-Y85 HydrophobicContact CB-CE2 4.19Å; C83-Y85 PolarHBondContact O-N 2.89Å; C83-Y85 PolarHBondContact SG-OH 2.98Å; C83-F86 HydrophobicContact CB-CD2 3.59Å; C83-F86 HydrophobicContact CB-CE2 3.88Å; C83-F86 PolarHBondContact O-N 2.94Å |
| 84 | E | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -72.4 | -10.4 | -177.1 | -69.9 | -65.9 | 122.7 | 0 | 0 | 114.6 | T61 K82 F86 N87 S91 V92 R95 L363 L364 | T61-E84 WeakPolarHBondContact CB-OE1 3.13Å; T61-E84 WeakPolarHBondContact CG2-OE1 3.25Å; T61-E84 PolarHBondContact OG1-OE1 2.87Å; K82-E84 PolarHBondContact O-N 3.38Å; K82-E84 VanDerWaalsContact O-N 3.13Å; E84-F86 PolarHBondContact O-N 3.48Å; E84-N87 PolarHBondContact O-N 3.12Å; E84-N87 PolarHBondContact O-ND2 2.92Å; E84-N87 PolarHBondContact OE2-ND2 3.23Å; E84-S91 CarbonylContact O-C 3.36Å; E84-S91 VanDerWaalsContact O-C 3.27Å; E84-V92 HydrophobicContact CB-CB 3.63Å; E84-V92 HydrophobicContact CB-CG2 4.17Å; E84-V92 HydrophobicContact CG-CB 3.89Å; E84-V92 HydrophobicContact CG-CG2 3.85Å; E84-R95 IonicContact OE1-CZ 2.72Å; E84-R95 IonicContact OE1-NE 3.16Å; E84-R95 PolarHBondContact OE1-NE 3.13Å; E84-R95 IonicContact OE1-NH2 3.06Å; E84-R95 PolarHBondContact OE1-NH2 2.8Å; E84-R95 WeakPolarHBondContact OE2-CD 3.42Å; E84-R95 IonicContact OE2-CZ 2.78Å; E84-R95 IonicContact OE2-NE 2.76Å; E84-R95 PolarHBondContact OE2-NE 3.39Å; E84-R95 IonicContact OE2-NH2 2.96Å; E84-R95 PolarHBondContact OE2-NH2 2.85Å; E84-L363 HydrophobicContact CG-CD1 3.61Å; E84-L363 HydrophobicContact CG-CG 4.29Å; E84-L364 WeakPolarHBondContact CB-O 3.32Å; E84-L364 PolarHBondContact N-O 3.45Å |
| 85 | Y | 94.2 | Very high | 97.4 | Very high | 30 Ų | 30 | 24.5 Ų | 24.5 | 12% | 0.118 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -72.4 | -4.2 | 173.9 | 59 | -101.8 | 0 | 0 | 0 | 114.2 | C83 I316 C318 L364 | C83-Y85 HydrophobicContact CB-CD1 4.23Å; C83-Y85 HydrophobicContact CB-CE1 3.6Å; C83-Y85 HydrophobicContact CB-CE2 4.19Å; C83-Y85 PolarHBondContact O-N 2.89Å; C83-Y85 PolarHBondContact SG-OH 2.98Å; Y85-I316 HydrophobicContact CE1-CG2 3.94Å; Y85-I316 VanDerWaalsContact OH-CG2 3.23Å; Y85-I316 WeakPolarHBondContact OH-CG2 3.22Å; Y85-C318 HydrophobicContact CD1-CB 4.26Å; Y85-C318 HydrophobicContact CE1-CB 4.18Å; Y85-L364 HydrophobicContact CD1-CB 4.11Å; Y85-L364 HydrophobicContact CE1-CB 4.03Å; Y85-L364 HydrophobicContact CE1-CD1 4.02Å |
| 86 | F | 96.6 | Very high | 97.4 | Very high | 124 Ų | 124 | 23.6 Ų | 23.6 | 54% | 0.544 | 12% | 0.116 | S | C | . | . | G | 310 helix | trans | -85.6 | -6.9 | 171.3 | -81.1 | -80.9 | 0 | 0 | 0 | 114.3 | P62 C83 E84 | P62-F86 HydrophobicContact CG-CD2 3.82Å; P62-F86 HydrophobicContact CG-CE2 4.08Å; P62-F86 HydrophobicContact CG-CG 4.16Å; C83-F86 HydrophobicContact CB-CD2 3.59Å; C83-F86 HydrophobicContact CB-CE2 3.88Å; C83-F86 PolarHBondContact O-N 2.94Å; E84-F86 PolarHBondContact O-N 3.48Å |
| 87 | N | 97.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 16 Ų | 16 | 3% | 0.027 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -61.6 | 157.8 | 171.8 | -68.4 | -61.7 | 0 | 0 | 0 | 110.5 | G59 E84 G89 G90 S91 D94 | G59-N87 PolarHBondContact N-OD1 3.24Å; E84-N87 PolarHBondContact O-N 3.12Å; E84-N87 PolarHBondContact O-ND2 2.92Å; E84-N87 PolarHBondContact OE2-ND2 3.23Å; N87-G89 PolarHBondContact O-N 3.41Å; N87-G90 WeakPolarHBondContact O-CA 3.4Å; N87-G90 PolarHBondContact O-N 3.2Å; N87-S91 WeakPolarHBondContact CB-O 3.5Å; N87-S91 PolarHBondContact ND2-O 3.4Å; N87-S91 VanDerWaalsContact ND2-O 3.08Å; N87-D94 HydrophobicContact CB-CB 3.95Å; N87-D94 WeakPolarHBondContact CB-OD2 3.41Å |
| 88 | A | 97.6 | Very high | 97.5 | Very high | 41 Ų | 41 | 16 Ų | 16 | 34% | 0.339 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -43 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V54 A57 V58 G90 D94 M130 | V54-A88 HydrophobicContact CG2-CB 3.73Å; A57-A88 HydrophobicContact CB-CB 4.34Å; V58-A88 HydrophobicContact CG2-CB 4.29Å; A88-G90 VanDerWaalsContact C-N 3.31Å; A88-D94 PolarHBondContact N-OD2 2.93Å; A88-M130 HydrophobicContact CB-CE 4.06Å; A88-M130 HydrophobicContact CB-SD 3.63Å |
| 89 | G | 96 | Very high | 97.4 | Very high | 5 Ų | 5 | 13.6 Ų | 13.6 | 5% | 0.052 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -9.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N87 D94 R369 | N87-G89 PolarHBondContact O-N 3.41Å; G89-D94 WeakPolarHBondContact CA-OD2 3.49Å; G89-D94 PolarHBondContact N-OD2 3.49Å; G89-R369 PolarHBondContact O-NH1 3.28Å; G89-R369 PolarHBondContact O-NH2 3.12Å |
| 90 | G | 95.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 13.3 Ų | 13.3 | 7% | 0.072 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 92.8 | 18.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N87 A88 D94 S367 | N87-G90 WeakPolarHBondContact O-CA 3.4Å; N87-G90 PolarHBondContact O-N 3.2Å; A88-G90 VanDerWaalsContact C-N 3.31Å; G90-D94 PolarHBondContact N-OD2 2.73Å; G90-S367 PolarHBondContact O-N 2.97Å |
| 91 | S | 96.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | B | Isolated β-bridge | trans | -152.2 | 165.3 | 179.4 | 84.4 | 0 | 0 | 0 | 0 | 114.9 | E84 N87 K93 D94 P365 | E84-S91 CarbonylContact O-C 3.36Å; E84-S91 VanDerWaalsContact O-C 3.27Å; N87-S91 WeakPolarHBondContact CB-O 3.5Å; N87-S91 PolarHBondContact ND2-O 3.4Å; N87-S91 VanDerWaalsContact ND2-O 3.08Å; S91-K93 PolarHBondContact O-N 2.96Å; S91-K93 PolarHBondContact OG-N 3.33Å; S91-K93 VanDerWaalsContact OG-N 3.1Å; S91-D94 PolarHBondContact N-OD2 2.77Å; S91-D94 WeakPolarHBondContact O-CB 3.39Å; S91-D94 PolarHBondContact O-N 3.5Å; S91-D94 PolarHBondContact OG-OD1 2.97Å; S91-P365 CarbonylContact C-O 3.55Å; S91-P365 VanDerWaalsContact CA-O 3.29Å; S91-P365 WeakPolarHBondContact CA-O 3.38Å |
| 92 | V | 97.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -24.6 | 170.3 | 67.4 | 0 | 0 | 0 | 0 | 113.2 | E84 D94 R95 H206 L363 P365 | E84-V92 HydrophobicContact CB-CB 3.63Å; E84-V92 HydrophobicContact CB-CG2 4.17Å; E84-V92 HydrophobicContact CG-CB 3.89Å; E84-V92 HydrophobicContact CG-CG2 3.85Å; V92-D94 PolarHBondContact O-N 3.1Å; V92-R95 WeakPolarHBondContact O-CB 3.34Å; V92-R95 PolarHBondContact O-N 2.86Å; V92-H206 VanDerWaalsContact CG2-CE1 3.44Å; V92-H206 WeakPolarHBondContact CG2-CE1 3.22Å; V92-L363 HydrophobicContact CG2-CD2 4.4Å; V92-P365 HydrophobicContact CG1-CB 3.85Å; V92-P365 PolarHBondContact N-O 2.91Å |
| 93 | K | 97.7 | Very high | 96.9 | Very high | 24 Ų | 24 | 16.2 Ų | 16.2 | 10% | 0.104 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -75.7 | -15.6 | -174.6 | -59.1 | -62.3 | -170.6 | -73.3 | 0 | 112.8 | S91 R95 I96 A97 N123 T124 | S91-K93 PolarHBondContact O-N 2.96Å; S91-K93 PolarHBondContact OG-N 3.33Å; S91-K93 VanDerWaalsContact OG-N 3.1Å; K93-R95 PolarHBondContact O-N 3.23Å; K93-I96 HydrophobicContact CB-CG1 4.37Å; K93-I96 HydrophobicContact CD-CD1 3.81Å; K93-I96 HydrophobicContact CD-CG1 4.26Å; K93-I96 VanDerWaalsContact O-CG1 3.23Å; K93-I96 WeakPolarHBondContact O-CG1 3.24Å; K93-I96 PolarHBondContact O-N 3.28Å; K93-I96 VanDerWaalsContact O-N 3.14Å; K93-A97 WeakPolarHBondContact O-CB 3.43Å; K93-A97 PolarHBondContact O-N 3.34Å; K93-N123 HydrophobicContact CB-CB 4.04Å; K93-N123 HydrophobicContact CG-CB 3.65Å; K93-T124 WeakPolarHBondContact CD-OG1 3.16Å |
| 94 | D | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.2 | -35.5 | 173.6 | -53.2 | -3.4 | 0 | 0 | 0 | 110.8 | V58 N87 A88 G89 G90 S91 V92 L98 M130 | V58-D94 HydrophobicContact CG1-CB 4.07Å; V58-D94 HydrophobicContact CG2-CB 4Å; N87-D94 HydrophobicContact CB-CB 3.95Å; N87-D94 WeakPolarHBondContact CB-OD2 3.41Å; A88-D94 PolarHBondContact N-OD2 2.93Å; G89-D94 WeakPolarHBondContact CA-OD2 3.49Å; G89-D94 PolarHBondContact N-OD2 3.49Å; G90-D94 PolarHBondContact N-OD2 2.73Å; S91-D94 PolarHBondContact N-OD2 2.77Å; S91-D94 WeakPolarHBondContact O-CB 3.39Å; S91-D94 PolarHBondContact O-N 3.5Å; S91-D94 PolarHBondContact OG-OD1 2.97Å; V92-D94 PolarHBondContact O-N 3.1Å; D94-L98 WeakPolarHBondContact O-CB 3.48Å; D94-L98 PolarHBondContact O-N 3.06Å; D94-L98 VanDerWaalsContact O-N 3.08Å; D94-M130 HydrophobicContact CB-CE 4.23Å |
| 95 | R | 98.5 | Very high | 96.6 | Very high | 14 Ų | 14 | 19.1 Ų | 19.1 | 5% | 0.053 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 176.9 | -62.6 | -175.3 | 179.3 | -100.6 | 6.3 | 112.3 | V58 T61 E84 V92 K93 R99 A205 T210 E213 | V58-R95 HydrophobicContact CG1-CB 4.36Å; V58-R95 HydrophobicContact CG1-CG 3.87Å; T61-R95 PolarHBondContact OG1-NH2 2.98Å; T61-R95 VanDerWaalsContact OG1-NH2 3.17Å; E84-R95 IonicContact OE1-CZ 2.72Å; E84-R95 IonicContact OE1-NE 3.16Å; E84-R95 PolarHBondContact OE1-NE 3.13Å; E84-R95 IonicContact OE1-NH2 3.06Å; E84-R95 PolarHBondContact OE1-NH2 2.8Å; E84-R95 WeakPolarHBondContact OE2-CD 3.42Å; E84-R95 IonicContact OE2-CZ 2.78Å; E84-R95 IonicContact OE2-NE 2.76Å; E84-R95 PolarHBondContact OE2-NE 3.39Å; E84-R95 IonicContact OE2-NH2 2.96Å; E84-R95 PolarHBondContact OE2-NH2 2.85Å; V92-R95 WeakPolarHBondContact O-CB 3.34Å; V92-R95 PolarHBondContact O-N 2.86Å; K93-R95 PolarHBondContact O-N 3.23Å; R95-R99 WeakPolarHBondContact O-CB 3.2Å; R95-R99 PolarHBondContact O-N 3.15Å; R95-A205 HydrophobicContact CB-CB 4.37Å; R95-T210 WeakPolarHBondContact CD-OG1 3.31Å; R95-T210 PolarHBondContact NE-OG1 2.88Å; R95-E213 IonicContact CZ-OE1 2.65Å; R95-E213 IonicContact CZ-OE2 2.84Å; R95-E213 IonicContact NH1-OE1 2.68Å; R95-E213 PolarHBondContact NH1-OE1 3.46Å; R95-E213 IonicContact NH1-OE2 2.84Å; R95-E213 IonicContact NH2-OE1 3.7Å; R95-E213 PolarHBondContact NH2-OE1 3.48Å; R95-E213 IonicContact NH2-OE2 3.94Å; R95-E213 PolarHBondContact NH2-OE2 3.21Å |
| 96 | I | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -76.1 | -37.9 | -176.2 | 73.5 | 165.8 | 0 | 0 | 0 | 110.6 | K93 L98 R99 M100 T124 Q196 N202 A205 H206 | K93-I96 HydrophobicContact CB-CG1 4.37Å; K93-I96 HydrophobicContact CD-CD1 3.81Å; K93-I96 HydrophobicContact CD-CG1 4.26Å; K93-I96 VanDerWaalsContact O-CG1 3.23Å; K93-I96 WeakPolarHBondContact O-CG1 3.24Å; K93-I96 PolarHBondContact O-N 3.28Å; K93-I96 VanDerWaalsContact O-N 3.14Å; I96-L98 PolarHBondContact O-N 3.41Å; I96-R99 PolarHBondContact O-N 2.83Å; I96-M100 HydrophobicContact CD1-CE 4.36Å; I96-M100 HydrophobicContact CG1-CE 4.24Å; I96-M100 WeakPolarHBondContact O-CB 3.27Å; I96-M100 WeakPolarHBondContact O-CG 3.23Å; I96-M100 PolarHBondContact O-N 3.5Å; I96-T124 HydrophobicContact CD1-CG2 3.93Å; I96-T124 HydrophobicContact CG1-CG2 4.23Å; I96-Q196 HydrophobicContact CD1-CB 4.12Å; I96-N202 HydrophobicContact CB-CB 4.46Å; I96-N202 HydrophobicContact CD1-CB 4.42Å; I96-N202 HydrophobicContact CG2-CB 4.39Å; I96-N202 WeakPolarHBondContact CG2-O 3.45Å; I96-N202 WeakPolarHBondContact CG2-OD1 3.47Å; I96-A205 HydrophobicContact CG2-CB 4.32Å; I96-H206 WeakPolarHBondContact CG2-NE2 3.41Å |
| 97 | A | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | K93 V101 L128 V131 | K93-A97 WeakPolarHBondContact O-CB 3.43Å; K93-A97 PolarHBondContact O-N 3.34Å; A97-V101 WeakPolarHBondContact O-CG2 3.37Å; A97-V101 PolarHBondContact O-N 2.8Å; A97-L128 HydrophobicContact CB-CB 4.49Å; A97-L128 HydrophobicContact CB-CD2 3.8Å; A97-L128 HydrophobicContact CB-CG 3.84Å; A97-V131 HydrophobicContact CB-CG2 4.33Å |
| 98 | L | 97.9 | Very high | 95.9 | Very high | 12 Ų | 12 | 20.9 Ų | 20.9 | 6% | 0.063 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.6 | -48.5 | 176.5 | -178 | 59.2 | 0 | 0 | 0 | 111.5 | L55 V58 D94 I96 M100 V101 E102 V131 | L55-L98 HydrophobicContact CB-CD1 4.09Å; L55-L98 HydrophobicContact CB-CD2 4.37Å; L55-L98 HydrophobicContact CD1-CD1 4.01Å; V58-L98 HydrophobicContact CB-CD2 4.11Å; V58-L98 HydrophobicContact CG1-CD2 4.41Å; V58-L98 HydrophobicContact CG2-CD2 4.42Å; D94-L98 WeakPolarHBondContact O-CB 3.48Å; D94-L98 PolarHBondContact O-N 3.06Å; D94-L98 VanDerWaalsContact O-N 3.08Å; I96-L98 PolarHBondContact O-N 3.41Å; L98-M100 PolarHBondContact O-N 2.82Å; L98-V101 PolarHBondContact O-N 2.83Å; L98-E102 HydrophobicContact CD1-CG 3.97Å; L98-E102 HydrophobicContact CG-CG 4.34Å; L98-E102 WeakPolarHBondContact O-CB 3.48Å; L98-E102 WeakPolarHBondContact O-CG 3.34Å; L98-E102 PolarHBondContact O-N 3.4Å; L98-V131 HydrophobicContact CB-CG2 4.32Å; L98-V131 HydrophobicContact CD1-CG2 4.39Å |
| 99 | R | 97.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 20 Ų | 20 | 2% | 0.019 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.7 | -40.8 | -177.4 | -179.4 | 55.5 | 173.9 | -113.2 | -13.5 | 113.1 | F39 E41 R95 I96 N103 G201 I204 A205 D208 | F39-R99 PolarHBondContact O-NH2 3.24Å; E41-R99 IonicContact OE1-CZ 4Å; E41-R99 IonicContact OE1-NE 2.78Å; E41-R99 IonicContact OE1-NH1 3.96Å; E41-R99 PolarHBondContact OE1-NH1 3.04Å; E41-R99 IonicContact OE2-NH1 3.81Å; E41-R99 PolarHBondContact OE2-NH1 3.43Å; R95-R99 WeakPolarHBondContact O-CB 3.2Å; R95-R99 PolarHBondContact O-N 3.15Å; I96-R99 PolarHBondContact O-N 2.83Å; R99-N103 PolarHBondContact NE-OD1 3.32Å; R99-N103 VanDerWaalsContact O-CB 3.23Å; R99-N103 WeakPolarHBondContact O-CB 3.38Å; R99-N103 PolarHBondContact O-N 3.14Å; R99-G201 WeakPolarHBondContact CG-O 3.21Å; R99-I204 HydrophobicContact CG-CG2 4.03Å; R99-A205 HydrophobicContact CB-CB 3.8Å; R99-A205 HydrophobicContact CG-CB 4.02Å; R99-D208 IonicContact CZ-OD2 3.18Å; R99-D208 IonicContact NH1-OD2 3.78Å; R99-D208 PolarHBondContact NH1-OD2 3.19Å; R99-D208 IonicContact NH2-OD2 2.68Å; R99-D208 PolarHBondContact NH2-OD2 3.18Å |
| 100 | M | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 178.6 | -70.3 | -174.9 | -55.4 | 0 | 0 | 111 | I96 L98 N103 G104 T124 L128 L194 Q196 N199 | I96-M100 HydrophobicContact CD1-CE 4.36Å; I96-M100 HydrophobicContact CG1-CE 4.24Å; I96-M100 WeakPolarHBondContact O-CB 3.27Å; I96-M100 WeakPolarHBondContact O-CG 3.23Å; I96-M100 PolarHBondContact O-N 3.5Å; L98-M100 PolarHBondContact O-N 2.82Å; M100-N103 PolarHBondContact O-N 2.95Å; M100-G104 PolarHBondContact O-N 3.46Å; M100-T124 HydrophobicContact CE-CG2 4.15Å; M100-L128 HydrophobicContact CE-CD2 4.48Å; M100-L194 HydrophobicContact CB-CB 4.35Å; M100-L194 HydrophobicContact CB-CD1 4.13Å; M100-L194 HydrophobicContact CE-CB 4.34Å; M100-L194 HydrophobicContact SD-CB 4.29Å; M100-Q196 HydrophobicContact CE-CB 4.45Å; M100-Q196 HydrophobicContact SD-CB 4.46Å; M100-N199 HydrophobicContact CG-CB 4.33Å; M100-N199 HydrophobicContact SD-CB 3.92Å |
| 101 | V | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.3 | -48.2 | 176.2 | 173 | 0 | 0 | 0 | 0 | 111.5 | A97 L98 N103 G104 E105 L110 L116 L128 V131 K135 Y137 L194 | A97-V101 WeakPolarHBondContact O-CG2 3.37Å; A97-V101 PolarHBondContact O-N 2.8Å; L98-V101 PolarHBondContact O-N 2.83Å; V101-N103 VanDerWaalsContact C-N 3.28Å; V101-N103 PolarHBondContact O-N 2.8Å; V101-G104 PolarHBondContact O-N 3.33Å; V101-G104 VanDerWaalsContact O-N 3.08Å; V101-E105 HydrophobicContact CG1-CG 4.31Å; V101-E105 WeakPolarHBondContact O-CG 3.48Å; V101-E105 PolarHBondContact O-N 3.35Å; V101-L110 HydrophobicContact CB-CD1 4.31Å; V101-L110 HydrophobicContact CG1-CD1 4.12Å; V101-L110 HydrophobicContact CG2-CD1 4.49Å; V101-L110 WeakPolarHBondContact O-CD1 3.43Å; V101-L116 HydrophobicContact CG2-CD1 3.96Å; V101-L128 HydrophobicContact CG2-CD2 3.9Å; V101-V131 HydrophobicContact CB-CG1 3.86Å; V101-V131 HydrophobicContact CG1-CG1 3.8Å; V101-V131 HydrophobicContact CG2-CG1 3.78Å; V101-K135 HydrophobicContact CG1-CD 3.88Å; V101-Y137 HydrophobicContact CG1-CE2 3.88Å; V101-L194 HydrophobicContact CG2-CD1 3.67Å |
| 102 | E | 95.4 | Very high | 95.4 | Very high | 53 Ų | 53 | 31.4 Ų | 31.4 | 25% | 0.248 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.1 | -35.6 | 178.5 | -72.9 | -179.7 | 156.3 | 0 | 0 | 112.3 | L98 R106 | L98-E102 HydrophobicContact CD1-CG 3.97Å; L98-E102 HydrophobicContact CG-CG 4.34Å; L98-E102 WeakPolarHBondContact O-CB 3.48Å; L98-E102 WeakPolarHBondContact O-CG 3.34Å; L98-E102 PolarHBondContact O-N 3.4Å; E102-R106 VanDerWaalsContact O-CB 3.26Å; E102-R106 WeakPolarHBondContact O-CB 3.49Å; E102-R106 PolarHBondContact O-N 3.17Å |
| 103 | N | 93.9 | Very high | 95.3 | Very high | 19 Ų | 19 | 34 Ų | 34 | 10% | 0.102 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 171.8 | -84.1 | -7.8 | 0 | 0 | 0 | 111.3 | R99 M100 V101 R106 A107 | R99-N103 PolarHBondContact NE-OD1 3.32Å; R99-N103 VanDerWaalsContact O-CB 3.23Å; R99-N103 WeakPolarHBondContact O-CB 3.38Å; R99-N103 PolarHBondContact O-N 3.14Å; M100-N103 PolarHBondContact O-N 2.95Å; V101-N103 VanDerWaalsContact C-N 3.28Å; V101-N103 PolarHBondContact O-N 2.8Å; N103-R106 PolarHBondContact O-N 3.49Å; N103-R106 PolarHBondContact OD1-NH2 3.1Å; N103-A107 VanDerWaalsContact O-CB 3.28Å; N103-A107 WeakPolarHBondContact O-CB 3.42Å; N103-A107 PolarHBondContact O-N 3.05Å |
| 104 | G | 93.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69 | -36.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | M100 V101 A107 G108 Y109 L110 | M100-G104 PolarHBondContact O-N 3.46Å; V101-G104 PolarHBondContact O-N 3.33Å; V101-G104 VanDerWaalsContact O-N 3.08Å; G104-A107 PolarHBondContact O-N 3.24Å; G104-G108 PolarHBondContact O-N 2.88Å; G104-Y109 WeakPolarHBondContact CA-OH 3.39Å; G104-Y109 PolarHBondContact O-N 3.2Å; G104-L110 PolarHBondContact O-N 2.9Å |
| 105 | E | 94.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 33.9 Ų | 33.9 | 29% | 0.29 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 172.5 | -72.1 | 175.4 | 159.9 | 0 | 0 | 110.8 | V101 A107 G108 L110 K135 Y137 | V101-E105 HydrophobicContact CG1-CG 4.31Å; V101-E105 WeakPolarHBondContact O-CG 3.48Å; V101-E105 PolarHBondContact O-N 3.35Å; E105-A107 VanDerWaalsContact C-N 3.34Å; E105-A107 PolarHBondContact O-N 3.43Å; E105-G108 PolarHBondContact O-N 3.48Å; E105-G108 VanDerWaalsContact O-N 3.17Å; E105-L110 HydrophobicContact CG-CB 4.16Å; E105-K135 VanDerWaalsContact CD-NZ 3.31Å; E105-K135 WeakPolarHBondContact OE1-CD 3.46Å; E105-K135 IonicContact OE1-NZ 2.94Å; E105-K135 PolarHBondContact OE1-NZ 3.37Å; E105-K135 VanDerWaalsContact OE1-NZ 3.11Å; E105-K135 IonicContact OE2-NZ 3.22Å; E105-K135 PolarHBondContact OE2-NZ 3.48Å; E105-Y137 VanDerWaalsContact CG-OH 3.29Å; E105-Y137 WeakPolarHBondContact CG-OH 3.32Å; E105-Y137 PolarHBondContact OE1-OH 3.28Å |
| 106 | R | 92.9 | Very high | 95.3 | Very high | 109 Ų | 109 | 33.3 Ų | 33.3 | 41% | 0.411 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.7 | -36.5 | 176.9 | 172.6 | 171 | 46.3 | -122.7 | -4.6 | 112.7 | F39 E102 N103 G108 | F39-R106 VanDerWaalsContact CE1-NH2 3.26Å; E102-R106 VanDerWaalsContact O-CB 3.26Å; E102-R106 WeakPolarHBondContact O-CB 3.49Å; E102-R106 PolarHBondContact O-N 3.17Å; N103-R106 PolarHBondContact O-N 3.49Å; N103-R106 PolarHBondContact OD1-NH2 3.1Å; R106-G108 VanDerWaalsContact C-N 3.28Å |
| 107 | A | 90.6 | Very high | 95.3 | Very high | 41 Ų | 41 | 33.4 Ų | 33.4 | 34% | 0.339 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -75.4 | -17.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | A10 N103 G104 E105 Y109 | A10-A107 HydrophobicContact CB-CB 3.62Å; N103-A107 VanDerWaalsContact O-CB 3.28Å; N103-A107 WeakPolarHBondContact O-CB 3.42Å; N103-A107 PolarHBondContact O-N 3.05Å; G104-A107 PolarHBondContact O-N 3.24Å; E105-A107 VanDerWaalsContact C-N 3.34Å; E105-A107 PolarHBondContact O-N 3.43Å; A107-Y109 HydrophobicContact CB-CD1 3.53Å; A107-Y109 HydrophobicContact CB-CE1 3.61Å |
| 108 | G | 91.7 | Very high | 95.2 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 47% | 0.474 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 2.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | G104 E105 R106 | G104-G108 PolarHBondContact O-N 2.88Å; E105-G108 PolarHBondContact O-N 3.48Å; E105-G108 VanDerWaalsContact O-N 3.17Å; R106-G108 VanDerWaalsContact C-N 3.28Å |
| 109 | Y | 91.7 | Very high | 95 | Very high | 23 Ų | 23 | 33 Ų | 33 | 9% | 0.09 | 19% | 0.19 | C | C | . | . | trans | -84.2 | -19.2 | 176.4 | 65.2 | -112.6 | 0 | 0 | 0 | 113.3 | V14 L15 G104 A107 M114 I192 L194 | V14-Y109 HydrophobicContact CG2-CD1 4.42Å; V14-Y109 HydrophobicContact CG2-CD2 4.25Å; V14-Y109 HydrophobicContact CG2-CE1 3.82Å; V14-Y109 HydrophobicContact CG2-CE2 3.66Å; L15-Y109 HydrophobicContact CD2-CD1 4.19Å; L15-Y109 HydrophobicContact CD2-CG 3.94Å; G104-Y109 WeakPolarHBondContact CA-OH 3.39Å; G104-Y109 PolarHBondContact O-N 3.2Å; A107-Y109 HydrophobicContact CB-CD1 3.53Å; A107-Y109 HydrophobicContact CB-CE1 3.61Å; Y109-M114 VanDerWaalsContact O-SD 3.36Å; Y109-I192 HydrophobicContact CD2-CD1 3.45Å; Y109-I192 VanDerWaalsContact CD2-CD1 3.45Å; Y109-I192 HydrophobicContact CE2-CD1 3.71Å; Y109-I192 HydrophobicContact CG-CD1 4.47Å; Y109-L194 HydrophobicContact CE2-CD2 4.42Å | ||
| 110 | L | 94.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | trans | -95.1 | 127.3 | 166.4 | -73.2 | 174.7 | 0 | 0 | 0 | 110.2 | V101 G104 E105 L116 I192 L194 | V101-L110 HydrophobicContact CB-CD1 4.31Å; V101-L110 HydrophobicContact CG1-CD1 4.12Å; V101-L110 HydrophobicContact CG2-CD1 4.49Å; V101-L110 WeakPolarHBondContact O-CD1 3.43Å; G104-L110 PolarHBondContact O-N 2.9Å; E105-L110 HydrophobicContact CG-CB 4.16Å; L110-L116 HydrophobicContact CD2-CD2 3.64Å; L110-I192 HydrophobicContact CD2-CG2 3.53Å; L110-L194 HydrophobicContact CD1-CD2 4.13Å | ||
| 111 | R | 94.1 | Very high | 93.3 | Very high | 122 Ų | 122 | 33.5 Ų | 33.5 | 46% | 0.46 | 19% | 0.194 | S | C | . | . | trans | -122.9 | 148.7 | 178.8 | -60.7 | -175.8 | -63.7 | -78.9 | 1.5 | 110 | G113 M114 Y137 D190 | R111-G113 PolarHBondContact O-N 3.09Å; R111-M114 HydrophobicContact CB-CG 4.14Å; R111-M114 HydrophobicContact CB-SD 3.88Å; R111-M114 HydrophobicContact CG-SD 4.26Å; R111-M114 PolarHBondContact N-SD 2.96Å; R111-M114 WeakPolarHBondContact O-CB 3.22Å; R111-M114 VanDerWaalsContact O-CG 3.23Å; R111-M114 WeakPolarHBondContact O-CG 3.29Å; R111-M114 PolarHBondContact O-N 3.09Å; R111-M114 VanDerWaalsContact O-N 3.16Å; R111-Y137 VanDerWaalsContact O-CE1 3.27Å; R111-Y137 WeakPolarHBondContact O-CE1 3.47Å; R111-D190 IonicContact NH2-OD1 2.81Å; R111-D190 PolarHBondContact NH2-OD1 2.89Å | ||
| 112 | P | 94.7 | Very high | 92.6 | Very high | 121 Ų | 121 | 33.5 Ų | 33.5 | 79% | 0.786 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50 | 134.7 | 176.6 | -27.3 | 35 | 0 | 0 | 0 | 112.4 | ||
| 113 | G | 94.4 | Very high | 92.5 | Very high | 56 Ų | 56 | 31.4 Ų | 31.4 | 58% | 0.577 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | -3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116 | R111 | R111-G113 PolarHBondContact O-N 3.09Š|
| 114 | M | 98 | Very high | 92.6 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.059 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 163.4 | 173 | -75.3 | -176.2 | 70.3 | 0 | 0 | 112.6 | Y109 R111 Y137 R138 D190 I192 | Y109-M114 VanDerWaalsContact O-SD 3.36Å; R111-M114 HydrophobicContact CB-CG 4.14Å; R111-M114 HydrophobicContact CB-SD 3.88Å; R111-M114 HydrophobicContact CG-SD 4.26Å; R111-M114 PolarHBondContact N-SD 2.96Å; R111-M114 WeakPolarHBondContact O-CB 3.22Å; R111-M114 VanDerWaalsContact O-CG 3.23Å; R111-M114 WeakPolarHBondContact O-CG 3.29Å; R111-M114 PolarHBondContact O-N 3.09Å; R111-M114 VanDerWaalsContact O-N 3.16Å; M114-Y137 HydrophobicContact CB-CD1 4.17Å; M114-Y137 HydrophobicContact CB-CE1 4.35Å; M114-R138 PolarHBondContact O-N 3.11Å; M114-R138 VanDerWaalsContact O-N 3.13Å; M114-D190 WeakPolarHBondContact CA-O 3.3Å; M114-D190 WeakPolarHBondContact CB-O 3.25Å; M114-D190 HydrophobicContact CG-CB 4.23Å; M114-I192 HydrophobicContact CE-CB 4.28Å; M114-I192 HydrophobicContact CE-CG2 4.21Å |
| 115 | T | 98.3 | Very high | 92.8 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 6% | 0.055 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123 | 176.3 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | I117 R138 I140 I188 D190 A191 I192 | T115-I117 HydrophobicContact CG2-CG1 4.05Å; T115-R138 CarbonylContact C-O 3.51Å; T115-R138 WeakPolarHBondContact CA-O 3.49Å; T115-R138 HydrophobicContact CG2-CB 4.14Å; T115-R138 HydrophobicContact CG2-CG 4.03Å; T115-I140 HydrophobicContact CG2-CD1 3.77Å; T115-I140 HydrophobicContact CG2-CG1 3.94Å; T115-I188 HydrophobicContact CG2-CG2 4.42Å; T115-D190 PolarHBondContact N-O 3.47Å; T115-A191 HydrophobicContact CG2-CB 4.48Å; T115-A191 CarbonylContact O-C 3.55Å; T115-A191 VanDerWaalsContact O-CA 3.28Å; T115-A191 WeakPolarHBondContact O-CA 3.34Å; T115-I192 PolarHBondContact O-N 3.19Å |
| 116 | L | 98 | Very high | 92.9 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 124 | 171.4 | -56 | -177.8 | 0 | 0 | 0 | 109.4 | V101 L110 A132 Y137 R138 C139 I140 I192 L194 | V101-L116 HydrophobicContact CG2-CD1 3.96Å; L110-L116 HydrophobicContact CD2-CD2 3.64Å; L116-A132 HydrophobicContact CD1-CB 4.35Å; L116-Y137 HydrophobicContact CD1-CD2 4.16Å; L116-Y137 HydrophobicContact CD1-CG 4.12Å; L116-Y137 HydrophobicContact CG-CG 4.18Å; L116-R138 PolarHBondContact N-O 3.06Å; L116-C139 CarbonylContact O-C 3.5Å; L116-C139 WeakPolarHBondContact O-CA 3.45Å; L116-I140 PolarHBondContact O-N 2.93Å; L116-I192 HydrophobicContact CD2-CG2 3.9Å; L116-L194 HydrophobicContact CD2-CD1 4.23Å; L116-L194 HydrophobicContact CD2-CG 4.45Å |
| 117 | I | 97.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.4 | 174.7 | -53 | -175.5 | 0 | 0 | 0 | 108.1 | T115 I140 V142 A181 L184 C185 I188 A191 I192 I193 | T115-I117 HydrophobicContact CG2-CG1 4.05Å; I117-I140 VanDerWaalsContact CA-O 3.32Å; I117-I140 WeakPolarHBondContact CA-O 3.18Å; I117-I140 HydrophobicContact CD1-CD1 4.42Å; I117-I140 HydrophobicContact CG1-CB 4.22Å; I117-I140 HydrophobicContact CG1-CD1 4.38Å; I117-V142 HydrophobicContact CG2-CG2 4.18Å; I117-A181 HydrophobicContact CG2-CB 4.02Å; I117-L184 HydrophobicContact CD1-CB 3.95Å; I117-C185 HydrophobicContact CD1-CB 4.08Å; I117-I188 HydrophobicContact CD1-CD1 4.15Å; I117-A191 HydrophobicContact CD1-CB 3.74Å; I117-A191 HydrophobicContact CG1-CB 4.25Å; I117-I192 PolarHBondContact N-O 3Å; I117-I193 HydrophobicContact CB-CG1 4.14Å; I117-I193 HydrophobicContact CG2-CG1 4.38Å; I117-I193 VanDerWaalsContact O-CA 3.28Å; I117-I193 WeakPolarHBondContact O-CA 3.36Å |
| 118 | E | 97 | Very high | 93.5 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 125.9 | 178.7 | -169.9 | 72.8 | 179.4 | 0 | 0 | 112.9 | T124 L128 I140 I141 V142 L194 D195 Q196 | E118-T124 HydrophobicContact CG-CG2 4.37Å; E118-L128 HydrophobicContact CB-CD1 3.51Å; E118-L128 HydrophobicContact CG-CD1 3.57Å; E118-I140 PolarHBondContact N-O 2.76Å; E118-I140 VanDerWaalsContact N-O 3.12Å; E118-I141 HydrophobicContact CB-CD1 4.26Å; E118-V142 PolarHBondContact O-N 2.79Å; E118-V142 VanDerWaalsContact O-N 3.07Å; E118-L194 PolarHBondContact OE2-N 2.69Å; E118-D195 PolarHBondContact OE2-N 3.33Å; E118-Q196 WeakPolarHBondContact OE1-CB 3.18Å; E118-Q196 WeakPolarHBondContact OE1-CG 3.15Å; E118-Q196 PolarHBondContact OE1-N 2.79Å |
| 119 | P | 92.6 | Very high | 93.8 | Very high | 4 Ų | 4 | 18.4 Ų | 18.4 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 119.4 | 165.7 | 29.8 | -30.9 | 0 | 0 | 0 | 110.4 | V142 I178 A181 Q196 Y197 | P119-V142 WeakPolarHBondContact CA-O 3.42Å; P119-I178 HydrophobicContact CB-CG1 4.24Å; P119-A181 HydrophobicContact CB-CB 4.02Å; P119-A181 HydrophobicContact CG-CB 4.12Å; P119-Q196 PolarHBondContact O-NE2 3.36Å; P119-Y197 HydrophobicContact CG-CE2 4.15Å |
| 120 | T | 86.7 | Confident | 94.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -156.3 | 153.2 | -172 | -174.5 | 0 | 0 | 0 | 0 | 115.8 | G122 T124 I141 V142 M143 Q196 | T120-G122 PolarHBondContact O-N 3.48Å; T120-G122 PolarHBondContact OG1-N 3.06Å; T120-T124 WeakPolarHBondContact OG1-CB 3.33Å; T120-I141 HydrophobicContact CG2-CG2 3.55Å; T120-V142 PolarHBondContact N-O 2.94Å; T120-M143 WeakPolarHBondContact O-CB 3.18Å; T120-Q196 PolarHBondContact OG1-NE2 2.7Å | ||
| 121 | S | 71.3 | Confident | 94.3 | Very high | 15 Ų | 15 | 17.5 Ų | 17.5 | 11% | 0.105 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -77.1 | 10 | 168.6 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | K151 | S121-K151 PolarHBondContact O-NZ 2.94Š|
| 122 | G | 82.7 | Confident | 94.5 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 113.3 | -47.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T120 T124 G125 I126 | T120-G122 PolarHBondContact O-N 3.48Å; T120-G122 PolarHBondContact OG1-N 3.06Å; G122-T124 PolarHBondContact O-N 3.19Å; G122-G125 CarbonylContact O-C 3.59Å; G122-G125 WeakPolarHBondContact O-CA 3.38Å; G122-G125 PolarHBondContact O-N 3.49Å; G122-I126 PolarHBondContact O-N 3.11Å |
| 123 | N | 93.6 | Very high | 94.7 | Very high | 9 Ų | 9 | 9.1 Ų | 9.1 | 5% | 0.048 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | -176.1 | -79.6 | -29 | 0 | 0 | 0 | 113.2 | K93 G125 I126 G127 D366 N370 | K93-N123 HydrophobicContact CB-CB 4.04Å; K93-N123 HydrophobicContact CG-CB 3.65Å; N123-G125 PolarHBondContact O-N 3.35Å; N123-I126 PolarHBondContact O-N 2.9Å; N123-G127 PolarHBondContact O-N 3.09Å; N123-D366 PolarHBondContact ND2-OD2 3.32Å; N123-N370 PolarHBondContact OD1-ND2 2.86Å |
| 124 | T | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.3 | -35.8 | 172.1 | -45.9 | 0 | 0 | 0 | 0 | 110.7 | K93 I96 M100 E118 T120 G122 G127 L128 Q196 | K93-T124 WeakPolarHBondContact CD-OG1 3.16Å; I96-T124 HydrophobicContact CD1-CG2 3.93Å; I96-T124 HydrophobicContact CG1-CG2 4.23Å; M100-T124 HydrophobicContact CE-CG2 4.15Å; E118-T124 HydrophobicContact CG-CG2 4.37Å; T120-T124 WeakPolarHBondContact OG1-CB 3.33Å; G122-T124 PolarHBondContact O-N 3.19Å; T124-G127 PolarHBondContact O-N 2.85Å; T124-L128 HydrophobicContact CG2-CD1 4.18Å; T124-L128 HydrophobicContact CG2-CG 4.47Å; T124-L128 WeakPolarHBondContact O-CB 3.27Å; T124-L128 WeakPolarHBondContact O-CG 3.47Å; T124-L128 PolarHBondContact O-N 3.21Å; T124-Q196 HydrophobicContact CG2-CB 4.34Å; T124-Q196 PolarHBondContact OG1-OE1 3.14Å |
| 125 | G | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G122 N123 L128 A129 I141 | G122-G125 CarbonylContact O-C 3.59Å; G122-G125 WeakPolarHBondContact O-CA 3.38Å; G122-G125 PolarHBondContact O-N 3.49Å; N123-G125 PolarHBondContact O-N 3.35Å; G125-L128 PolarHBondContact O-N 2.84Å; G125-A129 WeakPolarHBondContact O-CB 3.28Å; G125-A129 PolarHBondContact O-N 2.79Å; G125-I141 VanDerWaalsContact CA-CD1 3.45Å |
| 126 | I | 97.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 175.6 | -67.9 | 171.7 | 0 | 0 | 0 | 110.4 | G122 N123 L128 A129 M130 K151 V154 L155 L158 | G122-I126 PolarHBondContact O-N 3.11Å; N123-I126 PolarHBondContact O-N 2.9Å; I126-L128 PolarHBondContact O-N 3.04Å; I126-A129 PolarHBondContact O-N 3.33Å; I126-M130 WeakPolarHBondContact O-CB 3.44Å; I126-M130 PolarHBondContact O-N 3.21Å; I126-K151 HydrophobicContact CD1-CB 4.45Å; I126-K151 HydrophobicContact CD1-CG 4.13Å; I126-V154 HydrophobicContact CD1-CB 4.27Å; I126-V154 HydrophobicContact CD1-CG1 3.97Å; I126-V154 HydrophobicContact CG1-CG1 3.99Å; I126-V154 HydrophobicContact CG2-CG1 3.91Å; I126-L155 HydrophobicContact CG1-CD2 4Å; I126-L155 HydrophobicContact CG1-CG 4.07Å; I126-L158 HydrophobicContact CG2-CD1 4.1Å |
| 127 | G | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.1 | -46.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N123 T124 M130 V131 | N123-G127 PolarHBondContact O-N 3.09Å; T124-G127 PolarHBondContact O-N 2.85Å; G127-M130 PolarHBondContact O-N 3.4Å; G127-V131 VanDerWaalsContact O-CG2 3.23Å; G127-V131 WeakPolarHBondContact O-CG2 3.43Å; G127-V131 PolarHBondContact O-N 3.3Å |
| 128 | L | 98.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.8 | -40.9 | 178.9 | -75.9 | 174.4 | 0 | 0 | 0 | 112.5 | A97 M100 V101 E118 T124 G125 I126 M130 V131 A132 L194 | A97-L128 HydrophobicContact CB-CB 4.49Å; A97-L128 HydrophobicContact CB-CD2 3.8Å; A97-L128 HydrophobicContact CB-CG 3.84Å; M100-L128 HydrophobicContact CE-CD2 4.48Å; V101-L128 HydrophobicContact CG2-CD2 3.9Å; E118-L128 HydrophobicContact CB-CD1 3.51Å; E118-L128 HydrophobicContact CG-CD1 3.57Å; T124-L128 HydrophobicContact CG2-CD1 4.18Å; T124-L128 HydrophobicContact CG2-CG 4.47Å; T124-L128 WeakPolarHBondContact O-CB 3.27Å; T124-L128 WeakPolarHBondContact O-CG 3.47Å; T124-L128 PolarHBondContact O-N 3.21Å; G125-L128 PolarHBondContact O-N 2.84Å; I126-L128 PolarHBondContact O-N 3.04Å; L128-M130 VanDerWaalsContact C-N 3.32Å; L128-M130 PolarHBondContact O-N 2.96Å; L128-V131 PolarHBondContact O-N 3.35Å; L128-A132 VanDerWaalsContact O-CB 3.22Å; L128-A132 WeakPolarHBondContact O-CB 3.3Å; L128-A132 PolarHBondContact O-N 3.24Å; L128-L194 HydrophobicContact CD1-CD1 4.4Å; L128-L194 HydrophobicContact CD2-CD1 3.51Å |
| 129 | A | 98.4 | Very high | 95 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.4 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G125 I126 A132 A133 L155 L158 A160 | G125-A129 WeakPolarHBondContact O-CB 3.28Å; G125-A129 PolarHBondContact O-N 2.79Å; I126-A129 PolarHBondContact O-N 3.33Å; A129-A132 PolarHBondContact O-N 2.99Å; A129-A133 WeakPolarHBondContact O-CB 3.2Å; A129-A133 PolarHBondContact O-N 2.73Å; A129-L155 HydrophobicContact CB-CD2 3.86Å; A129-L158 HydrophobicContact CB-CB 3.9Å; A129-L158 HydrophobicContact CB-CD1 3.91Å; A129-A160 HydrophobicContact CB-CB 3.83Å |
| 130 | M | 98.6 | Very high | 95.2 | Very high | 12 Ų | 12 | 20 Ų | 20 | 6% | 0.059 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 173.2 | 178.2 | -175.3 | 65.2 | 0 | 0 | 111.8 | V54 L55 V58 A88 D94 I126 G127 L128 A132 A133 V134 L158 | V54-M130 HydrophobicContact CG1-CG 4.33Å; V54-M130 HydrophobicContact CG1-SD 4.34Å; L55-M130 HydrophobicContact CD2-CE 4.03Å; L55-M130 HydrophobicContact CD2-CG 4.17Å; V58-M130 HydrophobicContact CG2-CE 4.13Å; A88-M130 HydrophobicContact CB-CE 4.06Å; A88-M130 HydrophobicContact CB-SD 3.63Å; D94-M130 HydrophobicContact CB-CE 4.23Å; I126-M130 WeakPolarHBondContact O-CB 3.44Å; I126-M130 PolarHBondContact O-N 3.21Å; G127-M130 PolarHBondContact O-N 3.4Å; L128-M130 VanDerWaalsContact C-N 3.32Å; L128-M130 PolarHBondContact O-N 2.96Å; M130-A132 VanDerWaalsContact C-N 3.33Å; M130-A133 PolarHBondContact O-N 2.56Å; M130-V134 WeakPolarHBondContact O-CG2 3.42Å; M130-V134 PolarHBondContact O-N 3.43Å; M130-L158 HydrophobicContact CB-CD1 4.38Å; M130-L158 HydrophobicContact CB-CD2 4.4Å |
| 131 | V | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 177.2 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | L55 A97 L98 V101 G127 L128 V134 K135 | L55-V131 HydrophobicContact CD1-CG1 4.41Å; L55-V131 HydrophobicContact CD2-CB 4.45Å; L55-V131 HydrophobicContact CD2-CG2 3.86Å; A97-V131 HydrophobicContact CB-CG2 4.33Å; L98-V131 HydrophobicContact CB-CG2 4.32Å; L98-V131 HydrophobicContact CD1-CG2 4.39Å; V101-V131 HydrophobicContact CB-CG1 3.86Å; V101-V131 HydrophobicContact CG1-CG1 3.8Å; V101-V131 HydrophobicContact CG2-CG1 3.78Å; G127-V131 VanDerWaalsContact O-CG2 3.23Å; G127-V131 WeakPolarHBondContact O-CG2 3.43Å; G127-V131 PolarHBondContact O-N 3.3Å; L128-V131 PolarHBondContact O-N 3.35Å; V131-V134 PolarHBondContact O-N 3.49Å; V131-K135 HydrophobicContact CG1-CD 3.74Å; V131-K135 WeakPolarHBondContact O-CB 3.39Å; V131-K135 PolarHBondContact O-N 3.02Å |
| 132 | A | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 2% | 0.017 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.8 | -46 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L116 L128 A129 M130 V134 K135 G136 Y137 C139 | L116-A132 HydrophobicContact CD1-CB 4.35Å; L128-A132 VanDerWaalsContact O-CB 3.22Å; L128-A132 WeakPolarHBondContact O-CB 3.3Å; L128-A132 PolarHBondContact O-N 3.24Å; A129-A132 PolarHBondContact O-N 2.99Å; M130-A132 VanDerWaalsContact C-N 3.33Å; A132-V134 VanDerWaalsContact C-N 3.28Å; A132-V134 PolarHBondContact O-N 2.82Å; A132-K135 PolarHBondContact O-N 3.22Å; A132-G136 WeakPolarHBondContact O-CA 3.29Å; A132-G136 PolarHBondContact O-N 3.09Å; A132-Y137 PolarHBondContact O-N 3.41Å; A132-C139 HydrophobicContact CB-CB 3.71Å |
| 133 | A | 98.4 | Very high | 97.2 | Very high | 64 Ų | 64 | 19.3 Ų | 19.3 | 53% | 0.529 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -59.7 | -37.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A129 M130 | A129-A133 WeakPolarHBondContact O-CB 3.2Å; A129-A133 PolarHBondContact O-N 2.73Å; M130-A133 PolarHBondContact O-N 2.56Å |
| 134 | V | 98.2 | Very high | 96.8 | Very high | 58 Ų | 58 | 19.4 Ų | 19.4 | 35% | 0.352 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -78.7 | -37.2 | 179.5 | 174.8 | 0 | 0 | 0 | 0 | 112.5 | N53 V54 L55 M130 V131 A132 | N53-V134 HydrophobicContact CB-CG1 4.03Å; V54-V134 HydrophobicContact CG1-CG2 3.79Å; L55-V134 HydrophobicContact CD1-CB 3.97Å; L55-V134 HydrophobicContact CD1-CG1 3.74Å; L55-V134 HydrophobicContact CD2-CB 4.42Å; L55-V134 HydrophobicContact CD2-CG2 4.2Å; L55-V134 HydrophobicContact CG-CB 4.14Å; L55-V134 HydrophobicContact CG-CG1 3.95Å; L55-V134 HydrophobicContact CG-CG2 4.2Å; M130-V134 WeakPolarHBondContact O-CG2 3.42Å; M130-V134 PolarHBondContact O-N 3.43Å; V131-V134 PolarHBondContact O-N 3.49Å; A132-V134 VanDerWaalsContact C-N 3.28Å; A132-V134 PolarHBondContact O-N 2.82Å |
| 135 | K | 98 | Very high | 96.1 | Very high | 68 Ų | 68 | 24.6 Ų | 24.6 | 30% | 0.296 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -97.5 | -5.2 | -173.8 | -71.9 | 173.9 | 167.5 | -83.9 | 0 | 114.4 | L55 V101 E105 V131 A132 Y137 | L55-K135 HydrophobicContact CD1-CD 4.27Å; L55-K135 HydrophobicContact CD1-CG 4.23Å; V101-K135 HydrophobicContact CG1-CD 3.88Å; E105-K135 VanDerWaalsContact CD-NZ 3.31Å; E105-K135 WeakPolarHBondContact OE1-CD 3.46Å; E105-K135 IonicContact OE1-NZ 2.94Å; E105-K135 PolarHBondContact OE1-NZ 3.37Å; E105-K135 VanDerWaalsContact OE1-NZ 3.11Å; E105-K135 IonicContact OE2-NZ 3.22Å; E105-K135 PolarHBondContact OE2-NZ 3.48Å; V131-K135 HydrophobicContact CG1-CD 3.74Å; V131-K135 WeakPolarHBondContact O-CB 3.39Å; V131-K135 PolarHBondContact O-N 3.02Å; A132-K135 PolarHBondContact O-N 3.22Å; K135-Y137 HydrophobicContact CB-CD2 3.75Å; K135-Y137 HydrophobicContact CB-CE2 3.59Å; K135-Y137 HydrophobicContact CD-CE2 4.1Å; K135-Y137 HydrophobicContact CG-CE2 4.5Å |
| 136 | G | 97.4 | Very high | 95 | Very high | 50 Ų | 50 | 27.4 Ų | 27.4 | 52% | 0.515 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 38.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A132 | A132-G136 WeakPolarHBondContact O-CA 3.29Å; A132-G136 PolarHBondContact O-N 3.09Å |
| 137 | Y | 98.5 | Very high | 93.9 | Very high | 20 Ų | 20 | 27.9 Ų | 27.9 | 8% | 0.078 | 15% | 0.154 | C | C | . | . | trans | -97.2 | 148.8 | 168.7 | -62.3 | -76.2 | 0 | 0 | 0 | 110.4 | V101 E105 R111 M114 L116 A132 K135 | V101-Y137 HydrophobicContact CG1-CE2 3.88Å; E105-Y137 VanDerWaalsContact CG-OH 3.29Å; E105-Y137 WeakPolarHBondContact CG-OH 3.32Å; E105-Y137 PolarHBondContact OE1-OH 3.28Å; R111-Y137 VanDerWaalsContact O-CE1 3.27Å; R111-Y137 WeakPolarHBondContact O-CE1 3.47Å; M114-Y137 HydrophobicContact CB-CD1 4.17Å; M114-Y137 HydrophobicContact CB-CE1 4.35Å; L116-Y137 HydrophobicContact CD1-CD2 4.16Å; L116-Y137 HydrophobicContact CD1-CG 4.12Å; L116-Y137 HydrophobicContact CG-CG 4.18Å; A132-Y137 PolarHBondContact O-N 3.41Å; K135-Y137 HydrophobicContact CB-CD2 3.75Å; K135-Y137 HydrophobicContact CB-CE2 3.59Å; K135-Y137 HydrophobicContact CD-CE2 4.1Å; K135-Y137 HydrophobicContact CG-CE2 4.5Å | ||
| 138 | R | 98.3 | Very high | 93 | Very high | 107 Ų | 107 | 28 Ų | 28 | 40% | 0.404 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 142.2 | 162.5 | -176.6 | -179.6 | 177.7 | -157.6 | -1.7 | 108.4 | M114 T115 L116 E161 | M114-R138 PolarHBondContact O-N 3.11Å; M114-R138 VanDerWaalsContact O-N 3.13Å; T115-R138 CarbonylContact C-O 3.51Å; T115-R138 WeakPolarHBondContact CA-O 3.49Å; T115-R138 HydrophobicContact CG2-CB 4.14Å; T115-R138 HydrophobicContact CG2-CG 4.03Å; L116-R138 PolarHBondContact N-O 3.06Å; R138-E161 IonicContact CZ-OE1 3.4Å; R138-E161 VanDerWaalsContact CZ-OE1 3.22Å; R138-E161 IonicContact CZ-OE2 2.86Å; R138-E161 IonicContact NE-OE1 3.69Å; R138-E161 PolarHBondContact NE-OE1 3.33Å; R138-E161 IonicContact NE-OE2 3.19Å; R138-E161 VanDerWaalsContact NH2-CD 3.26Å; R138-E161 IonicContact NH2-OE1 2.93Å; R138-E161 PolarHBondContact NH2-OE1 3.33Å; R138-E161 IonicContact NH2-OE2 2.69Å; R138-E161 PolarHBondContact NH2-OE2 2.95Å |
| 139 | C | 98.5 | Very high | 92.4 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 126.7 | -177.7 | -169.9 | 0 | 0 | 0 | 0 | 111.5 | L116 A132 A160 E161 | L116-C139 CarbonylContact O-C 3.5Å; L116-C139 WeakPolarHBondContact O-CA 3.45Å; A132-C139 HydrophobicContact CB-CB 3.71Å; C139-A160 HydrophobicContact CB-CB 4.28Å; C139-A160 WeakPolarHBondContact O-CA 3.26Å; C139-E161 PolarHBondContact O-N 3.14Å |
| 140 | I | 98.1 | Very high | 92 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 119.4 | 176.7 | -51.8 | 179 | 0 | 0 | 0 | 108.4 | T115 L116 I117 E118 E161 V163 L184 I188 | T115-I140 HydrophobicContact CG2-CD1 3.77Å; T115-I140 HydrophobicContact CG2-CG1 3.94Å; L116-I140 PolarHBondContact O-N 2.93Å; I117-I140 VanDerWaalsContact CA-O 3.32Å; I117-I140 WeakPolarHBondContact CA-O 3.18Å; I117-I140 HydrophobicContact CD1-CD1 4.42Å; I117-I140 HydrophobicContact CG1-CB 4.22Å; I117-I140 HydrophobicContact CG1-CD1 4.38Å; E118-I140 PolarHBondContact N-O 2.76Å; E118-I140 VanDerWaalsContact N-O 3.12Å; I140-E161 CarbonylContact C-O 3.45Å; I140-E161 WeakPolarHBondContact CA-O 3.43Å; I140-E161 HydrophobicContact CG1-CB 4.21Å; I140-E161 HydrophobicContact CG2-CB 4.44Å; I140-V163 HydrophobicContact CG2-CG2 4.12Å; I140-L184 HydrophobicContact CG2-CD1 4.38Å; I140-I188 HydrophobicContact CD1-CD1 3.34Å |
| 141 | I | 97.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 122 | -179.8 | -60.7 | -50.9 | 0 | 0 | 0 | 109.8 | E118 T120 G125 M143 L155 A160 E161 I162 V163 | E118-I141 HydrophobicContact CB-CD1 4.26Å; T120-I141 HydrophobicContact CG2-CG2 3.55Å; G125-I141 VanDerWaalsContact CA-CD1 3.45Å; I141-M143 HydrophobicContact CG2-CE 3.89Å; I141-L155 HydrophobicContact CB-CD1 4.24Å; I141-L155 HydrophobicContact CG1-CD1 4.41Å; I141-L155 HydrophobicContact CG1-CD2 3.83Å; I141-L155 HydrophobicContact CG2-CD1 3.92Å; I141-A160 HydrophobicContact CG1-CB 4.26Å; I141-E161 PolarHBondContact N-O 2.97Å; I141-I162 WeakPolarHBondContact O-CA 3.37Å; I141-V163 PolarHBondContact O-N 3.38Å |
| 142 | V | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.6 | 176 | -168.2 | 0 | 0 | 0 | 0 | 108.5 | I117 E118 P119 T120 V163 T165 H177 V180 A181 L184 | I117-V142 HydrophobicContact CG2-CG2 4.18Å; E118-V142 PolarHBondContact O-N 2.79Å; E118-V142 VanDerWaalsContact O-N 3.07Å; P119-V142 WeakPolarHBondContact CA-O 3.42Å; T120-V142 PolarHBondContact N-O 2.94Å; V142-V163 WeakPolarHBondContact CA-O 3.4Å; V142-V163 HydrophobicContact CG1-CB 4.39Å; V142-V163 HydrophobicContact CG1-CG1 4.41Å; V142-V163 HydrophobicContact CG2-CB 4.31Å; V142-T165 HydrophobicContact CG1-CG2 3.77Å; V142-H177 HydrophobicContact CG1-CB 3.94Å; V142-H177 WeakPolarHBondContact CG1-O 3.02Å; V142-V180 HydrophobicContact CG1-CB 4.02Å; V142-V180 HydrophobicContact CG1-CG1 3.82Å; V142-A181 HydrophobicContact CB-CB 4.19Å; V142-A181 HydrophobicContact CG2-CB 3.85Å; V142-L184 HydrophobicContact CG2-CD1 3.83Å |
| 143 | M | 89.4 | Confident | 91 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 146.9 | -174.4 | 58.6 | 167.8 | 43 | 0 | 0 | 113.3 | T120 I141 M147 V152 L155 I162 V163 R164 T165 | T120-M143 WeakPolarHBondContact O-CB 3.18Å; I141-M143 HydrophobicContact CG2-CE 3.89Å; M143-M147 HydrophobicContact CB-CG 4.19Å; M143-M147 HydrophobicContact CE-CB 4.35Å; M143-M147 HydrophobicContact SD-CB 3.92Å; M143-M147 HydrophobicContact SD-CG 4.45Å; M143-V152 HydrophobicContact SD-CG2 4.28Å; M143-L155 HydrophobicContact CE-CD1 3.39Å; M143-L155 HydrophobicContact SD-CD1 4.3Å; M143-I162 HydrophobicContact CG-CG2 4.17Å; M143-I162 HydrophobicContact SD-CG2 4.27Å; M143-V163 PolarHBondContact N-O 3.42Å; M143-R164 CarbonylContact O-C 3.58Å; M143-R164 VanDerWaalsContact O-CA 3.28Å; M143-R164 WeakPolarHBondContact O-CA 3.1Å; M143-R164 PolarHBondContact SD-NH1 2.87Å; M143-R164 VanDerWaalsContact SD-NH1 3.38Å; M143-T165 PolarHBondContact O-N 2.83Å |
| 144 | P | 83.7 | Confident | 90.9 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 8% | 0.078 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 150.7 | 172.9 | -23.2 | 34.1 | 0 | 0 | 0 | 113 | K146 M147 T165 N167 | P144-K146 HydrophobicContact CB-CG 4.21Å; P144-K146 PolarHBondContact O-N 3.5Å; P144-K146 VanDerWaalsContact O-N 3.13Å; P144-M147 HydrophobicContact CB-CE 4.31Å; P144-M147 HydrophobicContact CG-CE 4.05Å; P144-M147 WeakPolarHBondContact O-CG 3.24Å; P144-M147 PolarHBondContact O-N 2.65Å; P144-T165 CarbonylContact C-O 3.53Å; P144-T165 WeakPolarHBondContact CA-O 3.46Å; P144-N167 VanDerWaalsContact CB-OD1 3.28Å; P144-N167 WeakPolarHBondContact CB-OD1 2.8Å |
| 145 | E | 81.8 | Confident | 90.8 | Very high | 108 Ų | 108 | 34.8 Ų | 34.8 | 51% | 0.505 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.2 | 178.1 | -76.7 | 175.4 | 171.5 | 0 | 0 | 114.4 | M147 R164 T165 N167 | E145-M147 PolarHBondContact O-N 3.38Å; E145-R164 HydrophobicContact CG-CB 4.07Å; E145-R164 PolarHBondContact O-NH2 3.48Å; E145-T165 PolarHBondContact N-O 2.77Å; E145-N167 PolarHBondContact N-OD1 2.78Å; E145-N167 VanDerWaalsContact N-OD1 3.14Å |
| 146 | K | 73 | Confident | 90.7 | Very high | 59 Ų | 59 | 36.9 Ų | 36.9 | 26% | 0.257 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.4 | 177.6 | 74.2 | 176.5 | -176.5 | 178.4 | 0 | 111.4 | P144 N167 F272 T335 | P144-K146 HydrophobicContact CB-CG 4.21Å; P144-K146 PolarHBondContact O-N 3.5Å; P144-K146 VanDerWaalsContact O-N 3.13Å; K146-N167 VanDerWaalsContact CB-OD1 3.22Å; K146-N167 WeakPolarHBondContact CB-OD1 3.1Å; K146-N167 WeakPolarHBondContact CG-OD1 3.26Å; K146-N167 VanDerWaalsContact N-CG 3.32Å; K146-N167 PolarHBondContact N-ND2 3.44Å; K146-N167 VanDerWaalsContact N-ND2 3.18Å; K146-N167 PolarHBondContact N-OD1 2.7Å; K146-F272 HydrophobicContact CD-CE2 4.47Å; K146-T335 HydrophobicContact CB-CG2 3.59Å; K146-T335 HydrophobicContact CD-CG2 3.79Å; K146-T335 HydrophobicContact CG-CG2 3.68Å; K146-T335 WeakPolarHBondContact O-CB 3.21Å; K146-T335 WeakPolarHBondContact O-CG2 3.41Å; K146-T335 PolarHBondContact O-OG1 3.47Å |
| 147 | M | 75.9 | Confident | 90.7 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 6% | 0.064 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -66.1 | 142.9 | -177.3 | -59.5 | -57.2 | 153.9 | 0 | 0 | 111.6 | M143 P144 E145 K151 R164 | M143-M147 HydrophobicContact CB-CG 4.19Å; M143-M147 HydrophobicContact CE-CB 4.35Å; M143-M147 HydrophobicContact SD-CB 3.92Å; M143-M147 HydrophobicContact SD-CG 4.45Å; P144-M147 HydrophobicContact CB-CE 4.31Å; P144-M147 HydrophobicContact CG-CE 4.05Å; P144-M147 WeakPolarHBondContact O-CG 3.24Å; P144-M147 PolarHBondContact O-N 2.65Å; E145-M147 PolarHBondContact O-N 3.38Å; M147-K151 HydrophobicContact CB-CD 4.49Å; M147-R164 PolarHBondContact O-NH2 2.97Å |
| 148 | S | 78.2 | Confident | 90.7 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | trans | -54.9 | 149 | -173.6 | 76.5 | 0 | 0 | 0 | 0 | 114.1 | E150 K151 V152 N370 K374 | S148-E150 VanDerWaalsContact C-N 3.25Å; S148-E150 WeakPolarHBondContact CB-OE2 3.36Å; S148-E150 PolarHBondContact O-N 2.83Å; S148-K151 WeakPolarHBondContact O-CB 3.15Å; S148-K151 PolarHBondContact O-N 3.44Å; S148-K151 WeakPolarHBondContact OG-CD 3.42Å; S148-K151 VanDerWaalsContact OG-CG 3.3Å; S148-K151 WeakPolarHBondContact OG-CG 3.4Å; S148-K151 PolarHBondContact OG-N 3.18Å; S148-V152 PolarHBondContact O-N 3.12Å; S148-N370 WeakPolarHBondContact CB-O 3.37Å; S148-N370 PolarHBondContact OG-O 3.16Å; S148-K374 VanDerWaalsContact CA-NZ 3.34Å | ||
| 149 | Q | 86 | Confident | 90.6 | Very high | 112 Ų | 112 | 38.1 Ų | 38.1 | 52% | 0.523 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.3 | -32.4 | 176.1 | -68.7 | -61.9 | -6.6 | 0 | 0 | 111.2 | K151 V152 E153 | Q149-K151 PolarHBondContact O-N 2.96Å; Q149-V152 WeakPolarHBondContact O-CA 3.31Å; Q149-V152 VanDerWaalsContact O-CB 3.3Å; Q149-V152 WeakPolarHBondContact O-CB 3.45Å; Q149-V152 PolarHBondContact O-N 2.95Å; Q149-E153 WeakPolarHBondContact O-CG 3.38Å; Q149-E153 PolarHBondContact O-N 3.19Å |
| 150 | E | 90.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 38.2 Ų | 38.2 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.1 | -37.2 | 175.6 | -62.3 | 89.4 | 157.4 | 0 | 0 | 112 | S148 V154 R369 M372 T373 | S148-E150 VanDerWaalsContact C-N 3.25Å; S148-E150 WeakPolarHBondContact CB-OE2 3.36Å; S148-E150 PolarHBondContact O-N 2.83Å; E150-V154 VanDerWaalsContact O-CG2 3.28Å; E150-V154 WeakPolarHBondContact O-CG2 3.08Å; E150-V154 PolarHBondContact O-N 3.41Å; E150-V154 VanDerWaalsContact O-N 3.1Å; E150-R369 WeakPolarHBondContact CB-O 3.4Å; E150-R369 WeakPolarHBondContact CG-O 3.25Å; E150-M372 HydrophobicContact CG-CB 4.35Å; E150-M372 PolarHBondContact OE1-N 2.87Å; E150-T373 WeakPolarHBondContact OE1-CB 3.32Å; E150-T373 WeakPolarHBondContact OE1-CG2 3.41Å; E150-T373 PolarHBondContact OE1-N 2.91Å; E150-T373 PolarHBondContact OE1-OG1 3.23Å |
| 151 | K | 89.5 | Confident | 90.6 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 173.6 | -74.2 | 165.9 | 174.3 | -179.1 | 0 | 111.8 | S121 I126 M147 S148 Q149 V154 L155 E276 N370 | S121-K151 PolarHBondContact O-NZ 2.94Å; I126-K151 HydrophobicContact CD1-CB 4.45Å; I126-K151 HydrophobicContact CD1-CG 4.13Å; M147-K151 HydrophobicContact CB-CD 4.49Å; S148-K151 WeakPolarHBondContact O-CB 3.15Å; S148-K151 PolarHBondContact O-N 3.44Å; S148-K151 WeakPolarHBondContact OG-CD 3.42Å; S148-K151 VanDerWaalsContact OG-CG 3.3Å; S148-K151 WeakPolarHBondContact OG-CG 3.4Å; S148-K151 PolarHBondContact OG-N 3.18Å; Q149-K151 PolarHBondContact O-N 2.96Å; K151-V154 PolarHBondContact O-N 3.11Å; K151-L155 WeakPolarHBondContact O-CB 3.47Å; K151-L155 VanDerWaalsContact O-CG 3.23Å; K151-L155 WeakPolarHBondContact O-CG 3.44Å; K151-L155 PolarHBondContact O-N 3.24Å; K151-E276 IonicContact NZ-OE2 3.7Å; K151-E276 PolarHBondContact NZ-OE2 3.31Å; K151-N370 HydrophobicContact CG-CB 4.27Å |
| 152 | V | 91.2 | Very high | 90.4 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 177.3 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | M143 S148 Q149 V154 L155 K156 I162 | M143-V152 HydrophobicContact SD-CG2 4.28Å; S148-V152 PolarHBondContact O-N 3.12Å; Q149-V152 WeakPolarHBondContact O-CA 3.31Å; Q149-V152 VanDerWaalsContact O-CB 3.3Å; Q149-V152 WeakPolarHBondContact O-CB 3.45Å; Q149-V152 PolarHBondContact O-N 2.95Å; V152-V154 PolarHBondContact O-N 3.31Å; V152-L155 PolarHBondContact O-N 3.22Å; V152-K156 HydrophobicContact CG1-CD 4.14Å; V152-K156 VanDerWaalsContact CG1-CE 3.45Å; V152-K156 HydrophobicContact CG1-CG 4.45Å; V152-K156 WeakPolarHBondContact O-CG 3.18Å; V152-K156 PolarHBondContact O-N 2.96Å; V152-I162 HydrophobicContact CB-CD1 4.28Å; V152-I162 HydrophobicContact CG1-CD1 3.71Å; V152-I162 WeakPolarHBondContact O-CD1 3.37Å |
| 153 | E | 94.4 | Very high | 90.4 | Very high | 101 Ų | 101 | 46.4 Ų | 46.4 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | -178.1 | -63.9 | -49.6 | 129.3 | 0 | 0 | 112 | Q149 K156 A157 | Q149-E153 WeakPolarHBondContact O-CG 3.38Å; Q149-E153 PolarHBondContact O-N 3.19Å; E153-K156 IonicContact OE1-NZ 2.81Å; E153-K156 PolarHBondContact OE1-NZ 3.28Å; E153-A157 WeakPolarHBondContact O-CB 3.32Å; E153-A157 PolarHBondContact O-N 3.48Å |
| 154 | V | 95.6 | Very high | 90.4 | Very high | 30 Ų | 30 | 50 Ų | 50 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 172.8 | 173 | 0 | 0 | 0 | 0 | 111.6 | I126 E150 K151 V152 A157 L158 | I126-V154 HydrophobicContact CD1-CB 4.27Å; I126-V154 HydrophobicContact CD1-CG1 3.97Å; I126-V154 HydrophobicContact CG1-CG1 3.99Å; I126-V154 HydrophobicContact CG2-CG1 3.91Å; E150-V154 VanDerWaalsContact O-CG2 3.28Å; E150-V154 WeakPolarHBondContact O-CG2 3.08Å; E150-V154 PolarHBondContact O-N 3.41Å; E150-V154 VanDerWaalsContact O-N 3.1Å; K151-V154 PolarHBondContact O-N 3.11Å; V152-V154 PolarHBondContact O-N 3.31Å; V154-A157 PolarHBondContact O-N 3.4Å; V154-L158 HydrophobicContact CG1-CD1 4Å; V154-L158 WeakPolarHBondContact O-CG 3.02Å; V154-L158 PolarHBondContact O-N 3.35Å |
| 155 | L | 96.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 179.1 | -77 | 171 | 0 | 0 | 0 | 112.3 | I126 A129 I141 M143 K151 V152 A157 L158 G159 A160 I162 | I126-L155 HydrophobicContact CG1-CD2 4Å; I126-L155 HydrophobicContact CG1-CG 4.07Å; A129-L155 HydrophobicContact CB-CD2 3.86Å; I141-L155 HydrophobicContact CB-CD1 4.24Å; I141-L155 HydrophobicContact CG1-CD1 4.41Å; I141-L155 HydrophobicContact CG1-CD2 3.83Å; I141-L155 HydrophobicContact CG2-CD1 3.92Å; M143-L155 HydrophobicContact CE-CD1 3.39Å; M143-L155 HydrophobicContact SD-CD1 4.3Å; K151-L155 WeakPolarHBondContact O-CB 3.47Å; K151-L155 VanDerWaalsContact O-CG 3.23Å; K151-L155 WeakPolarHBondContact O-CG 3.44Å; K151-L155 PolarHBondContact O-N 3.24Å; V152-L155 PolarHBondContact O-N 3.22Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.94Å; L155-L158 PolarHBondContact O-N 2.93Å; L155-G159 PolarHBondContact O-N 3.48Å; L155-A160 HydrophobicContact CB-CB 4.34Å; L155-A160 HydrophobicContact CD2-CB 4.21Å; L155-A160 WeakPolarHBondContact O-CB 3.4Å; L155-A160 PolarHBondContact O-N 3.01Å; L155-I162 HydrophobicContact CB-CD1 3.66Å; L155-I162 HydrophobicContact CB-CG1 4.11Å; L155-I162 HydrophobicContact CD1-CD1 4.32Å; L155-I162 HydrophobicContact CD1-CG1 4.45Å |
| 156 | K | 95.7 | Very high | 90.7 | Very high | 113 Ų | 113 | 46.6 Ų | 46.6 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 174.7 | -71.5 | 174.3 | -175.4 | 161.7 | 0 | 111.3 | V152 E153 L158 G159 I162 | V152-K156 HydrophobicContact CG1-CD 4.14Å; V152-K156 VanDerWaalsContact CG1-CE 3.45Å; V152-K156 HydrophobicContact CG1-CG 4.45Å; V152-K156 WeakPolarHBondContact O-CG 3.18Å; V152-K156 PolarHBondContact O-N 2.96Å; E153-K156 IonicContact OE1-NZ 2.81Å; E153-K156 PolarHBondContact OE1-NZ 3.28Å; K156-L158 VanDerWaalsContact C-N 3.25Å; K156-L158 PolarHBondContact O-N 3.42Å; K156-G159 PolarHBondContact O-N 3.36Å; K156-I162 HydrophobicContact CG-CD1 3.78Å |
| 157 | A | 97.4 | Very high | 90.8 | Very high | 89 Ų | 89 | 47.1 Ų | 47.1 | 74% | 0.736 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64 | -29.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | E153 V154 L155 G159 | E153-A157 WeakPolarHBondContact O-CB 3.32Å; E153-A157 PolarHBondContact O-N 3.48Å; V154-A157 PolarHBondContact O-N 3.4Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.94Å; A157-G159 PolarHBondContact O-N 3.43Å |
| 158 | L | 97.9 | Very high | 91 | Very high | 53 Ų | 53 | 52 Ų | 52 | 28% | 0.277 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -2.7 | 172.7 | -71.1 | 169.4 | 0 | 0 | 0 | 113.5 | I126 A129 M130 V154 L155 K156 | I126-L158 HydrophobicContact CG2-CD1 4.1Å; A129-L158 HydrophobicContact CB-CB 3.9Å; A129-L158 HydrophobicContact CB-CD1 3.91Å; M130-L158 HydrophobicContact CB-CD1 4.38Å; M130-L158 HydrophobicContact CB-CD2 4.4Å; V154-L158 HydrophobicContact CG1-CD1 4Å; V154-L158 WeakPolarHBondContact O-CG 3.02Å; V154-L158 PolarHBondContact O-N 3.35Å; L155-L158 PolarHBondContact O-N 2.93Å; K156-L158 VanDerWaalsContact C-N 3.25Å; K156-L158 PolarHBondContact O-N 3.42Å |
| 159 | G | 97.2 | Very high | 91.1 | Very high | 61 Ų | 61 | 53 Ų | 53 | 63% | 0.629 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 17.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | L155 K156 A157 | L155-G159 PolarHBondContact O-N 3.48Å; K156-G159 PolarHBondContact O-N 3.36Å; A157-G159 PolarHBondContact O-N 3.43Å |
| 160 | A | 97.6 | Very high | 91 | Very high | 8 Ų | 8 | 50 Ų | 50 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | trans | -80.9 | 139.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A129 C139 I141 L155 | A129-A160 HydrophobicContact CB-CB 3.83Å; C139-A160 HydrophobicContact CB-CB 4.28Å; C139-A160 WeakPolarHBondContact O-CA 3.26Å; I141-A160 HydrophobicContact CG1-CB 4.26Å; L155-A160 HydrophobicContact CB-CB 4.34Å; L155-A160 HydrophobicContact CD2-CB 4.21Å; L155-A160 WeakPolarHBondContact O-CB 3.4Å; L155-A160 PolarHBondContact O-N 3.01Å | ||
| 161 | E | 97.7 | Very high | 90.6 | Very high | 87 Ų | 87 | 51 Ų | 51 | 41% | 0.407 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 142.4 | 166.7 | -68.6 | 168.1 | -116.1 | 0 | 0 | 109.5 | R138 C139 I140 I141 | R138-E161 IonicContact CZ-OE1 3.4Å; R138-E161 VanDerWaalsContact CZ-OE1 3.22Å; R138-E161 IonicContact CZ-OE2 2.86Å; R138-E161 IonicContact NE-OE1 3.69Å; R138-E161 PolarHBondContact NE-OE1 3.33Å; R138-E161 IonicContact NE-OE2 3.19Å; R138-E161 VanDerWaalsContact NH2-CD 3.26Å; R138-E161 IonicContact NH2-OE1 2.93Å; R138-E161 PolarHBondContact NH2-OE1 3.33Å; R138-E161 IonicContact NH2-OE2 2.69Å; R138-E161 PolarHBondContact NH2-OE2 2.95Å; C139-E161 PolarHBondContact O-N 3.14Å; I140-E161 CarbonylContact C-O 3.45Å; I140-E161 WeakPolarHBondContact CA-O 3.43Å; I140-E161 HydrophobicContact CG1-CB 4.21Å; I140-E161 HydrophobicContact CG2-CB 4.44Å; I141-E161 PolarHBondContact N-O 2.97Å |
| 162 | I | 95.3 | Very high | 90.5 | Very high | 46 Ų | 46 | 54.9 Ų | 54.9 | 24% | 0.236 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126.5 | -172.9 | -56.3 | 171.9 | 0 | 0 | 0 | 109.2 | I141 M143 V152 L155 K156 R164 | I141-I162 WeakPolarHBondContact O-CA 3.37Å; M143-I162 HydrophobicContact CG-CG2 4.17Å; M143-I162 HydrophobicContact SD-CG2 4.27Å; V152-I162 HydrophobicContact CB-CD1 4.28Å; V152-I162 HydrophobicContact CG1-CD1 3.71Å; V152-I162 WeakPolarHBondContact O-CD1 3.37Å; L155-I162 HydrophobicContact CB-CD1 3.66Å; L155-I162 HydrophobicContact CB-CG1 4.11Å; L155-I162 HydrophobicContact CD1-CD1 4.32Å; L155-I162 HydrophobicContact CD1-CG1 4.45Å; K156-I162 HydrophobicContact CG-CD1 3.78Å; I162-R164 HydrophobicContact CG2-CG 4.46Å |
| 163 | V | 94.4 | Very high | 90.4 | Very high | 44 Ų | 44 | 55.7 Ų | 55.7 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124 | 172.1 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | I140 I141 V142 M143 V180 L184 | I140-V163 HydrophobicContact CG2-CG2 4.12Å; I141-V163 PolarHBondContact O-N 3.38Å; V142-V163 WeakPolarHBondContact CA-O 3.4Å; V142-V163 HydrophobicContact CG1-CB 4.39Å; V142-V163 HydrophobicContact CG1-CG1 4.41Å; V142-V163 HydrophobicContact CG2-CB 4.31Å; M143-V163 PolarHBondContact N-O 3.42Å; V163-V180 HydrophobicContact CG1-CG1 3.88Å; V163-L184 HydrophobicContact CB-CD1 4.4Å; V163-L184 HydrophobicContact CG1-CD1 4.43Å; V163-L184 HydrophobicContact CG2-CD1 3.92Å |
| 164 | R | 89.1 | Confident | 90.3 | Very high | 76 Ų | 76 | 55.4 Ų | 55.4 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 142.6 | 179.8 | -59.9 | -72 | -91.7 | -151.9 | -2.4 | 110.1 | M143 E145 M147 I162 | M143-R164 CarbonylContact O-C 3.58Å; M143-R164 VanDerWaalsContact O-CA 3.28Å; M143-R164 WeakPolarHBondContact O-CA 3.1Å; M143-R164 PolarHBondContact SD-NH1 2.87Å; M143-R164 VanDerWaalsContact SD-NH1 3.38Å; E145-R164 HydrophobicContact CG-CB 4.07Å; E145-R164 PolarHBondContact O-NH2 3.48Å; M147-R164 PolarHBondContact O-NH2 2.97Å; I162-R164 HydrophobicContact CG2-CG 4.46Å |
| 165 | T | 88.5 | Confident | 90 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 153.7 | 175.6 | 63.7 | 0 | 0 | 0 | 0 | 112 | V142 M143 P144 E145 E175 H177 V180 | V142-T165 HydrophobicContact CG1-CG2 3.77Å; M143-T165 PolarHBondContact O-N 2.83Å; P144-T165 CarbonylContact C-O 3.53Å; P144-T165 WeakPolarHBondContact CA-O 3.46Å; E145-T165 PolarHBondContact N-O 2.77Å; T165-E175 WeakPolarHBondContact CB-O 2.99Å; T165-H177 HydrophobicContact CG2-CB 4.21Å; T165-V180 HydrophobicContact CG2-CB 4.04Å; T165-V180 HydrophobicContact CG2-CG1 4.25Å; T165-V180 HydrophobicContact CG2-CG2 3.88Å |
| 166 | P | 83.5 | Confident | 89.7 | Confident | 45 Ų | 45 | 59.7 Ų | 59.7 | 29% | 0.292 | 35% | 0.353 | S | S | . | . | trans | -55.8 | 142.7 | 175.9 | -25 | 34.7 | 0 | 0 | 0 | 112.6 | E175 | P166-E175 HydrophobicContact CG-CB 4.45Š| ||
| 167 | N | 75.9 | Confident | 89.3 | Confident | 70 Ų | 70 | 55.5 Ų | 55.5 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -28.1 | 179.9 | -67.6 | -41 | 0 | 0 | 0 | 114 | P144 E145 K146 A169 | P144-N167 VanDerWaalsContact CB-OD1 3.28Å; P144-N167 WeakPolarHBondContact CB-OD1 2.8Å; E145-N167 PolarHBondContact N-OD1 2.78Å; E145-N167 VanDerWaalsContact N-OD1 3.14Å; K146-N167 VanDerWaalsContact CB-OD1 3.22Å; K146-N167 WeakPolarHBondContact CB-OD1 3.1Å; K146-N167 WeakPolarHBondContact CG-OD1 3.26Å; K146-N167 VanDerWaalsContact N-CG 3.32Å; K146-N167 PolarHBondContact N-ND2 3.44Å; K146-N167 VanDerWaalsContact N-ND2 3.18Å; K146-N167 PolarHBondContact N-OD1 2.7Å; N167-A169 VanDerWaalsContact C-N 3.32Å |
| 168 | S | 78.7 | Confident | 89 | Confident | 115 Ų | 115 | 51.7 Ų | 51.7 | 80% | 0.804 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -6.1 | -176.1 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | S170 | S168-S170 PolarHBondContact O-N 3.43Š|
| 169 | A | 80.5 | Confident | 88.8 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | trans | -72 | 122.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | N167 E175 | N167-A169 VanDerWaalsContact C-N 3.32Å; A169-E175 HydrophobicContact CB-CB 4.26Å | ||
| 170 | S | 83.7 | Confident | 88.7 | Confident | 51 Ų | 51 | 47.7 Ų | 47.7 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | trans | -58 | 156.4 | 169.3 | 59.5 | 0 | 0 | 0 | 0 | 111 | S168 D172 S173 S176 | S168-S170 PolarHBondContact O-N 3.43Å; S170-D172 VanDerWaalsContact CB-OD1 3.25Å; S170-D172 WeakPolarHBondContact CB-OD1 3.42Å; S170-D172 PolarHBondContact O-N 3.03Å; S170-D172 VanDerWaalsContact O-N 3.09Å; S170-D172 PolarHBondContact OG-OD1 3.21Å; S170-S173 VanDerWaalsContact O-CB 3.29Å; S170-S173 WeakPolarHBondContact O-CB 3.44Å; S170-S173 PolarHBondContact O-N 2.74Å; S170-S173 PolarHBondContact OG-N 3.46Å; S170-S176 WeakPolarHBondContact O-CB 3.1Å | ||
| 171 | Y | 82.9 | Confident | 88.6 | Confident | 47 Ų | 47 | 47.3 Ų | 47.3 | 18% | 0.184 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -28.5 | -176.3 | 80.9 | -91.4 | 0 | 0 | 0 | 113.7 | W19 P20 N21 S176 F282 | W19-Y171 HydrophobicContact CE3-CD2 4.3Å; W19-Y171 HydrophobicContact CE3-CE2 4.06Å; W19-Y171 HydrophobicContact CZ3-CD2 4.35Å; W19-Y171 HydrophobicContact CZ3-CE2 4.36Å; P20-Y171 HydrophobicContact CG-CD2 4.32Å; N21-Y171 PolarHBondContact ND2-OH 2.92Å; Y171-S176 WeakPolarHBondContact O-CB 2.98Å; Y171-S176 PolarHBondContact O-OG 2.81Å; Y171-F282 HydrophobicContact CD1-CB 3.99Å; Y171-F282 AromaticContact CD1-CD1 3.95Å; Y171-F282 HydrophobicContact CD1-CD1 3.95Å; Y171-F282 HydrophobicContact CD1-CG 4.37Å; Y171-F282 HydrophobicContact CD2-CD1 4.25Å; Y171-F282 HydrophobicContact CE1-CB 3.96Å; Y171-F282 HydrophobicContact CG-CB 4.36Å; Y171-F282 AromaticContact CG-CD1 3.69Å; Y171-F282 HydrophobicContact CG-CD1 3.69Å; Y171-F282 HydrophobicContact CG-CE1 4.36Å; Y171-F282 HydrophobicContact CG-CG 4.29Å |
| 172 | D | 86.6 | Confident | 88.4 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 44% | 0.439 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -4.7 | -179.4 | 65.2 | -18.7 | 0 | 0 | 0 | 114.2 | W19 S170 | W19-D172 HydrophobicContact CH2-CB 3.94Å; W19-D172 HydrophobicContact CZ3-CB 4.13Å; S170-D172 VanDerWaalsContact CB-OD1 3.25Å; S170-D172 WeakPolarHBondContact CB-OD1 3.42Å; S170-D172 PolarHBondContact O-N 3.03Å; S170-D172 VanDerWaalsContact O-N 3.09Å; S170-D172 PolarHBondContact OG-OD1 3.21Å |
| 173 | S | 89.9 | Confident | 88.5 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -63.8 | 144.3 | 174.4 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | S170 E175 S176 S179 | S170-S173 VanDerWaalsContact O-CB 3.29Å; S170-S173 WeakPolarHBondContact O-CB 3.44Å; S170-S173 PolarHBondContact O-N 2.74Å; S170-S173 PolarHBondContact OG-N 3.46Å; S173-E175 PolarHBondContact O-N 2.71Å; S173-E175 VanDerWaalsContact O-N 3.14Å; S173-E175 PolarHBondContact OG-N 2.62Å; S173-S176 VanDerWaalsContact O-CB 3.24Å; S173-S176 WeakPolarHBondContact O-CB 2.89Å; S173-S176 PolarHBondContact O-N 2.72Å; S173-S176 PolarHBondContact O-OG 3.16Å; S173-S179 WeakPolarHBondContact O-CB 3.24Å; S173-S179 PolarHBondContact O-OG 3.24Å |
| 174 | P | 91.4 | Very high | 88.5 | Confident | 96 Ų | 96 | 48.8 Ų | 48.8 | 62% | 0.623 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24 | 170.7 | -24.5 | 34.4 | 0 | 0 | 0 | 114.1 | S179 | P174-S179 WeakPolarHBondContact O-CB 3.42Š|
| 175 | E | 90.3 | Very high | 88.9 | Confident | 119 Ų | 119 | 46.5 Ų | 46.5 | 56% | 0.556 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -3.2 | 179.2 | -61.5 | -177.6 | 173.7 | 0 | 0 | 112.9 | T165 P166 A169 S173 | T165-E175 WeakPolarHBondContact CB-O 2.99Å; P166-E175 HydrophobicContact CG-CB 4.45Å; A169-E175 HydrophobicContact CB-CB 4.26Å; S173-E175 PolarHBondContact O-N 2.71Å; S173-E175 VanDerWaalsContact O-N 3.14Å; S173-E175 PolarHBondContact OG-N 2.62Å |
| 176 | S | 89.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -65 | 146.6 | 177.5 | 93.1 | 0 | 0 | 0 | 0 | 110.5 | S170 Y171 S173 I178 S179 V180 | S170-S176 WeakPolarHBondContact O-CB 3.1Å; Y171-S176 WeakPolarHBondContact O-CB 2.98Å; Y171-S176 PolarHBondContact O-OG 2.81Å; S173-S176 VanDerWaalsContact O-CB 3.24Å; S173-S176 WeakPolarHBondContact O-CB 2.89Å; S173-S176 PolarHBondContact O-N 2.72Å; S173-S176 PolarHBondContact O-OG 3.16Å; S176-I178 PolarHBondContact O-N 2.42Å; S176-I178 PolarHBondContact OG-N 2.72Å; S176-S179 PolarHBondContact O-N 2.82Å; S176-S179 VanDerWaalsContact O-N 3.09Å; S176-S179 PolarHBondContact OG-N 3.08Å; S176-S179 PolarHBondContact OG-OG 3.44Å; S176-V180 WeakPolarHBondContact O-CB 3.47Å; S176-V180 WeakPolarHBondContact O-CG2 3.29Å; S176-V180 PolarHBondContact O-N 2.82Å |
| 177 | H | 88 | Confident | 89.9 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 12% | 0.12 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -49.9 | -30.1 | 171 | 58.9 | -57.6 | 0 | 0 | 0 | 113.7 | V142 T165 A181 | V142-H177 HydrophobicContact CG1-CB 3.94Å; V142-H177 WeakPolarHBondContact CG1-O 3.02Å; T165-H177 HydrophobicContact CG2-CB 4.21Å; H177-A181 WeakPolarHBondContact O-CB 3.36Å; H177-A181 PolarHBondContact O-N 3.49Å |
| 178 | I | 91 | Very high | 90.9 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 5% | 0.046 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.8 | -50.6 | 176.6 | -55.5 | -175.1 | 0 | 0 | 0 | 110.9 | P20 P119 S176 A181 K182 Y197 F282 | P20-I178 HydrophobicContact CB-CD1 4.49Å; P20-I178 HydrophobicContact CG-CD1 3.84Å; P119-I178 HydrophobicContact CB-CG1 4.24Å; S176-I178 PolarHBondContact O-N 2.42Å; S176-I178 PolarHBondContact OG-N 2.72Å; I178-A181 PolarHBondContact O-N 2.85Å; I178-K182 PolarHBondContact O-N 2.68Å; I178-Y197 HydrophobicContact CD1-CE2 4.45Å; I178-F282 HydrophobicContact CD1-CE1 4.16Å; I178-F282 HydrophobicContact CD1-CZ 4.26Å |
| 179 | S | 93.2 | Very high | 91.6 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 179.8 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | S173 P174 S176 K182 R183 | S173-S179 WeakPolarHBondContact O-CB 3.24Å; S173-S179 PolarHBondContact O-OG 3.24Å; P174-S179 WeakPolarHBondContact O-CB 3.42Å; S176-S179 PolarHBondContact O-N 2.82Å; S176-S179 VanDerWaalsContact O-N 3.09Å; S176-S179 PolarHBondContact OG-N 3.08Å; S176-S179 PolarHBondContact OG-OG 3.44Å; S179-K182 WeakPolarHBondContact O-CB 3.25Å; S179-K182 PolarHBondContact O-N 2.99Å; S179-R183 PolarHBondContact O-N 2.84Å |
| 180 | V | 94.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 175.3 | 173 | 0 | 0 | 0 | 0 | 110.9 | V142 V163 T165 S176 K182 R183 L184 | V142-V180 HydrophobicContact CG1-CB 4.02Å; V142-V180 HydrophobicContact CG1-CG1 3.82Å; V163-V180 HydrophobicContact CG1-CG1 3.88Å; T165-V180 HydrophobicContact CG2-CB 4.04Å; T165-V180 HydrophobicContact CG2-CG1 4.25Å; T165-V180 HydrophobicContact CG2-CG2 3.88Å; S176-V180 WeakPolarHBondContact O-CB 3.47Å; S176-V180 WeakPolarHBondContact O-CG2 3.29Å; S176-V180 PolarHBondContact O-N 2.82Å; V180-K182 VanDerWaalsContact C-N 3.32Å; V180-K182 PolarHBondContact O-N 3.14Å; V180-R183 PolarHBondContact O-N 2.89Å; V180-L184 HydrophobicContact CG1-CD1 4.05Å; V180-L184 HydrophobicContact CG1-CG 4.48Å; V180-L184 VanDerWaalsContact O-CG 3.32Å; V180-L184 WeakPolarHBondContact O-CG 3.47Å; V180-L184 PolarHBondContact O-N 2.72Å |
| 181 | A | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I117 P119 V142 H177 I178 L184 C185 I193 | I117-A181 HydrophobicContact CG2-CB 4.02Å; P119-A181 HydrophobicContact CB-CB 4.02Å; P119-A181 HydrophobicContact CG-CB 4.12Å; V142-A181 HydrophobicContact CB-CB 4.19Å; V142-A181 HydrophobicContact CG2-CB 3.85Å; H177-A181 WeakPolarHBondContact O-CB 3.36Å; H177-A181 PolarHBondContact O-N 3.49Å; I178-A181 PolarHBondContact O-N 2.85Å; A181-L184 PolarHBondContact O-N 3.19Å; A181-C185 WeakPolarHBondContact O-CB 3.31Å; A181-C185 PolarHBondContact O-N 3.06Å; A181-I193 HydrophobicContact CB-CD1 4.18Å; A181-I193 WeakPolarHBondContact O-CD1 3.22Å |
| 182 | K | 94.7 | Very high | 93.6 | Very high | 52 Ų | 52 | 53.8 Ų | 53.8 | 23% | 0.226 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.5 | -51.6 | 175.2 | -171.2 | -161.4 | -176.1 | -30 | 0 | 111.6 | W17 I178 S179 V180 L184 C185 D186 I193 | W17-K182 HydrophobicContact CD2-CD 3.59Å; W17-K182 VanDerWaalsContact CD2-CE 3.44Å; W17-K182 HydrophobicContact CD2-CG 4.13Å; W17-K182 HydrophobicContact CE3-CD 4.06Å; W17-K182 HydrophobicContact CG-CD 3.9Å; W17-K182 HydrophobicContact CG-CG 3.94Å; W17-K182 HydrophobicContact CH2-CD 4.33Å; W17-K182 HydrophobicContact CZ2-CD 3.93Å; W17-K182 HydrophobicContact CZ3-CD 4.41Å; I178-K182 PolarHBondContact O-N 2.68Å; S179-K182 WeakPolarHBondContact O-CB 3.25Å; S179-K182 PolarHBondContact O-N 2.99Å; V180-K182 VanDerWaalsContact C-N 3.32Å; V180-K182 PolarHBondContact O-N 3.14Å; K182-L184 VanDerWaalsContact C-N 3.34Å; K182-L184 PolarHBondContact O-N 3.34Å; K182-C185 WeakPolarHBondContact O-CB 3.34Å; K182-C185 PolarHBondContact O-N 3.39Å; K182-C185 VanDerWaalsContact O-N 3.09Å; K182-D186 VanDerWaalsContact NZ-CG 3.35Å; K182-D186 IonicContact NZ-OD1 2.72Å; K182-D186 PolarHBondContact NZ-OD1 3.44Å; K182-D186 VanDerWaalsContact NZ-OD1 3.12Å; K182-D186 IonicContact NZ-OD2 3.12Å; K182-D186 PolarHBondContact NZ-OD2 3.18Å; K182-D186 PolarHBondContact O-N 2.79Å; K182-I193 HydrophobicContact CB-CD1 4.5Å |
| 183 | R | 95.8 | Very high | 94 | Very high | 126 Ų | 126 | 50.7 Ų | 50.7 | 48% | 0.475 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57 | -47.3 | 179.8 | -180 | 176.2 | 65.1 | -151.2 | -1.8 | 111.5 | S179 V180 C185 D186 E187 | S179-R183 PolarHBondContact O-N 2.84Å; V180-R183 PolarHBondContact O-N 2.89Å; R183-C185 VanDerWaalsContact C-N 3.28Å; R183-C185 PolarHBondContact O-N 2.86Å; R183-D186 PolarHBondContact O-N 3.4Å; R183-D186 VanDerWaalsContact O-N 3.14Å; R183-E187 WeakPolarHBondContact CD-OE1 3.34Å; R183-E187 HydrophobicContact CG-CG 4.45Å; R183-E187 WeakPolarHBondContact CG-OE1 3.31Å; R183-E187 WeakPolarHBondContact O-CG 3.49Å; R183-E187 PolarHBondContact O-N 3.11Å |
| 184 | L | 96.3 | Very high | 94.3 | Very high | 30 Ų | 30 | 49.5 Ų | 49.5 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 176.7 | -68.8 | 169.1 | 0 | 0 | 0 | 112.3 | I117 I140 V142 V163 V180 A181 K182 E187 I188 | I117-L184 HydrophobicContact CD1-CB 3.95Å; I140-L184 HydrophobicContact CG2-CD1 4.38Å; V142-L184 HydrophobicContact CG2-CD1 3.83Å; V163-L184 HydrophobicContact CB-CD1 4.4Å; V163-L184 HydrophobicContact CG1-CD1 4.43Å; V163-L184 HydrophobicContact CG2-CD1 3.92Å; V180-L184 HydrophobicContact CG1-CD1 4.05Å; V180-L184 HydrophobicContact CG1-CG 4.48Å; V180-L184 VanDerWaalsContact O-CG 3.32Å; V180-L184 WeakPolarHBondContact O-CG 3.47Å; V180-L184 PolarHBondContact O-N 2.72Å; A181-L184 PolarHBondContact O-N 3.19Å; K182-L184 VanDerWaalsContact C-N 3.34Å; K182-L184 PolarHBondContact O-N 3.34Å; L184-E187 PolarHBondContact O-N 3.4Å; L184-I188 HydrophobicContact CB-CD1 4.43Å; L184-I188 WeakPolarHBondContact O-CB 3.33Å; L184-I188 VanDerWaalsContact O-CG1 3.25Å; L184-I188 WeakPolarHBondContact O-CG1 3.26Å; L184-I188 PolarHBondContact O-N 2.96Å |
| 185 | C | 96 | Very high | 94.4 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 19% | 0.189 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68 | -34.4 | 176.1 | -168.8 | 0 | 0 | 0 | 0 | 112.9 | I117 A181 K182 R183 E187 I193 | I117-C185 HydrophobicContact CD1-CB 4.08Å; A181-C185 WeakPolarHBondContact O-CB 3.31Å; A181-C185 PolarHBondContact O-N 3.06Å; K182-C185 WeakPolarHBondContact O-CB 3.34Å; K182-C185 PolarHBondContact O-N 3.39Å; K182-C185 VanDerWaalsContact O-N 3.09Å; R183-C185 VanDerWaalsContact C-N 3.28Å; R183-C185 PolarHBondContact O-N 2.86Å; C185-E187 VanDerWaalsContact C-N 3.35Å; C185-I193 HydrophobicContact CB-CD1 3.72Å; C185-I193 HydrophobicContact CB-CG1 3.81Å |
| 186 | D | 95.7 | Very high | 94.6 | Very high | 113 Ų | 113 | 40 Ų | 40 | 60% | 0.604 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -73.3 | -29.5 | 175.7 | -64 | -25.3 | 0 | 0 | 0 | 111.4 | K182 R183 | K182-D186 VanDerWaalsContact NZ-CG 3.35Å; K182-D186 IonicContact NZ-OD1 2.72Å; K182-D186 PolarHBondContact NZ-OD1 3.44Å; K182-D186 VanDerWaalsContact NZ-OD1 3.12Å; K182-D186 IonicContact NZ-OD2 3.12Å; K182-D186 PolarHBondContact NZ-OD2 3.18Å; K182-D186 PolarHBondContact O-N 2.79Å; R183-D186 PolarHBondContact O-N 3.4Å; R183-D186 VanDerWaalsContact O-N 3.14Å |
| 187 | E | 97 | Very high | 94.8 | Very high | 124 Ų | 124 | 40.1 Ų | 40.1 | 58% | 0.579 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -87.2 | -29.3 | -177.7 | -72.2 | 171.1 | -175.2 | 0 | 0 | 114.1 | R183 L184 C185 | R183-E187 WeakPolarHBondContact CD-OE1 3.34Å; R183-E187 HydrophobicContact CG-CG 4.45Å; R183-E187 WeakPolarHBondContact CG-OE1 3.31Å; R183-E187 WeakPolarHBondContact O-CG 3.49Å; R183-E187 PolarHBondContact O-N 3.11Å; L184-E187 PolarHBondContact O-N 3.4Å; C185-E187 VanDerWaalsContact C-N 3.35Å |
| 188 | I | 96.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 39.8 Ų | 39.8 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -97 | 118.6 | -175.2 | -62.7 | 172 | 0 | 0 | 0 | 110 | T115 I117 I140 L184 A191 | T115-I188 HydrophobicContact CG2-CG2 4.42Å; I117-I188 HydrophobicContact CD1-CD1 4.15Å; I140-I188 HydrophobicContact CD1-CD1 3.34Å; L184-I188 HydrophobicContact CB-CD1 4.43Å; L184-I188 WeakPolarHBondContact O-CB 3.33Å; L184-I188 VanDerWaalsContact O-CG1 3.25Å; L184-I188 WeakPolarHBondContact O-CG1 3.26Å; L184-I188 PolarHBondContact O-N 2.96Å; I188-A191 HydrophobicContact CB-CB 3.9Å; I188-A191 HydrophobicContact CG2-CB 3.93Å; I188-A191 VanDerWaalsContact O-CB 3.22Å; I188-A191 WeakPolarHBondContact O-CB 3.37Å; I188-A191 PolarHBondContact O-N 3.35Å |
| 189 | P | 95.4 | Very high | 95.3 | Very high | 109 Ų | 109 | 39.4 Ų | 39.4 | 71% | 0.708 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 144.1 | 174.6 | -23.7 | 33.9 | 0 | 0 | 0 | 112.3 | A191 | P189-A191 PolarHBondContact O-N 2.81Å; P189-A191 VanDerWaalsContact O-N 3.14Å |
| 190 | D | 95.1 | Very high | 95.3 | Very high | 97 Ų | 97 | 40.4 Ų | 40.4 | 52% | 0.519 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 29.1 | 179.7 | -69 | -57.6 | 0 | 0 | 0 | 113.9 | R111 M114 T115 | R111-D190 IonicContact NH2-OD1 2.81Å; R111-D190 PolarHBondContact NH2-OD1 2.89Å; M114-D190 WeakPolarHBondContact CA-O 3.3Å; M114-D190 WeakPolarHBondContact CB-O 3.25Å; M114-D190 HydrophobicContact CG-CB 4.23Å; T115-D190 PolarHBondContact N-O 3.47Å |
| 191 | A | 96.5 | Very high | 95.3 | Very high | 18 Ų | 18 | 40 Ų | 40 | 15% | 0.149 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 153.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | T115 I117 I188 P189 | T115-A191 HydrophobicContact CG2-CB 4.48Å; T115-A191 CarbonylContact O-C 3.55Å; T115-A191 VanDerWaalsContact O-CA 3.28Å; T115-A191 WeakPolarHBondContact O-CA 3.34Å; I117-A191 HydrophobicContact CD1-CB 3.74Å; I117-A191 HydrophobicContact CG1-CB 4.25Å; I188-A191 HydrophobicContact CB-CB 3.9Å; I188-A191 HydrophobicContact CG2-CB 3.93Å; I188-A191 VanDerWaalsContact O-CB 3.22Å; I188-A191 WeakPolarHBondContact O-CB 3.37Å; I188-A191 PolarHBondContact O-N 3.35Å; P189-A191 PolarHBondContact O-N 2.81Å; P189-A191 VanDerWaalsContact O-N 3.14Å |
| 192 | I | 96.2 | Very high | 95.4 | Very high | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.077 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 145.2 | 174.1 | -169.4 | 169.6 | 0 | 0 | 0 | 110.9 | V14 Y109 L110 M114 T115 L116 I117 | V14-I192 HydrophobicContact CG2-CD1 4.19Å; Y109-I192 HydrophobicContact CD2-CD1 3.45Å; Y109-I192 VanDerWaalsContact CD2-CD1 3.45Å; Y109-I192 HydrophobicContact CE2-CD1 3.71Å; Y109-I192 HydrophobicContact CG-CD1 4.47Å; L110-I192 HydrophobicContact CD2-CG2 3.53Å; M114-I192 HydrophobicContact CE-CB 4.28Å; M114-I192 HydrophobicContact CE-CG2 4.21Å; T115-I192 PolarHBondContact O-N 3.19Å; L116-I192 HydrophobicContact CD2-CG2 3.9Å; I117-I192 PolarHBondContact N-O 3Å |
| 193 | I | 95.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.087 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 122.5 | 168 | -58.5 | 168.3 | 0 | 0 | 0 | 108.5 | I117 A181 K182 C185 D195 | I117-I193 HydrophobicContact CB-CG1 4.14Å; I117-I193 HydrophobicContact CG2-CG1 4.38Å; I117-I193 VanDerWaalsContact O-CA 3.28Å; I117-I193 WeakPolarHBondContact O-CA 3.36Å; A181-I193 HydrophobicContact CB-CD1 4.18Å; A181-I193 WeakPolarHBondContact O-CD1 3.22Å; K182-I193 HydrophobicContact CB-CD1 4.5Å; C185-I193 HydrophobicContact CB-CD1 3.72Å; C185-I193 HydrophobicContact CB-CG1 3.81Å; I193-D195 VanDerWaalsContact C-N 3.35Å; I193-D195 HydrophobicContact CG2-CB 4.08Å |
| 194 | L | 95.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | -78.5 | -24.5 | 179.1 | -67.4 | 176.2 | 0 | 0 | 0 | 112.1 | V14 M100 V101 Y109 L110 L116 E118 L128 N199 | V14-L194 VanDerWaalsContact CG1-O 3.24Å; V14-L194 WeakPolarHBondContact CG1-O 2.98Å; M100-L194 HydrophobicContact CB-CB 4.35Å; M100-L194 HydrophobicContact CB-CD1 4.13Å; M100-L194 HydrophobicContact CE-CB 4.34Å; M100-L194 HydrophobicContact SD-CB 4.29Å; V101-L194 HydrophobicContact CG2-CD1 3.67Å; Y109-L194 HydrophobicContact CE2-CD2 4.42Å; L110-L194 HydrophobicContact CD1-CD2 4.13Å; L116-L194 HydrophobicContact CD2-CD1 4.23Å; L116-L194 HydrophobicContact CD2-CG 4.45Å; E118-L194 PolarHBondContact OE2-N 2.69Å; L128-L194 HydrophobicContact CD1-CD1 4.4Å; L128-L194 HydrophobicContact CD2-CD1 3.51Å; L194-N199 WeakPolarHBondContact O-CB 3.31Å; L194-N199 PolarHBondContact O-ND2 2.65Å | ||
| 195 | D | 94.2 | Very high | 95.6 | Very high | 16 Ų | 16 | 31.4 Ų | 31.4 | 9% | 0.086 | 17% | 0.173 | C | C | . | . | trans | 59.7 | 77.2 | 168.4 | -165.5 | -22.2 | 0 | 0 | 0 | 113.5 | E118 I193 Y197 R198 N199 | E118-D195 PolarHBondContact OE2-N 3.33Å; I193-D195 VanDerWaalsContact C-N 3.35Å; I193-D195 HydrophobicContact CG2-CB 4.08Å; D195-Y197 PolarHBondContact O-N 3.18Å; D195-Y197 WeakPolarHBondContact OD1-CB 2.97Å; D195-Y197 WeakPolarHBondContact OD1-CD2 3.42Å; D195-Y197 PolarHBondContact OD1-N 3.13Å; D195-R198 PolarHBondContact O-N 2.91Å; D195-R198 VanDerWaalsContact O-N 3.14Å; D195-R198 PolarHBondContact OD1-N 2.74Å; D195-R198 WeakPolarHBondContact OD2-CD 3.2Å; D195-N199 WeakPolarHBondContact O-CB 3.42Å; D195-N199 PolarHBondContact O-N 3.44Å | ||
| 196 | Q | 94.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -17.4 | 175.2 | 64.7 | 178.1 | -38.8 | 0 | 0 | 114.8 | I96 M100 E118 P119 T120 T124 N202 T231 | I96-Q196 HydrophobicContact CD1-CB 4.12Å; M100-Q196 HydrophobicContact CE-CB 4.45Å; M100-Q196 HydrophobicContact SD-CB 4.46Å; E118-Q196 WeakPolarHBondContact OE1-CB 3.18Å; E118-Q196 WeakPolarHBondContact OE1-CG 3.15Å; E118-Q196 PolarHBondContact OE1-N 2.79Å; P119-Q196 PolarHBondContact O-NE2 3.36Å; T120-Q196 PolarHBondContact OG1-NE2 2.7Å; T124-Q196 HydrophobicContact CG2-CB 4.34Å; T124-Q196 PolarHBondContact OG1-OE1 3.14Å; Q196-N202 PolarHBondContact O-ND2 3.28Å; Q196-T231 HydrophobicContact CB-CG2 4.27Å; Q196-T231 HydrophobicContact CG-CG2 3.82Å |
| 197 | Y | 94.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -23.9 | -177.5 | -53.5 | -75.8 | 0 | 0 | 0 | 112.5 | P20 P119 I178 D195 T231 Y280 F282 P284 T285 V286 | P20-Y197 HydrophobicContact CB-CD2 4.02Å; P20-Y197 HydrophobicContact CB-CG 3.79Å; P119-Y197 HydrophobicContact CG-CE2 4.15Å; I178-Y197 HydrophobicContact CD1-CE2 4.45Å; D195-Y197 PolarHBondContact O-N 3.18Å; D195-Y197 WeakPolarHBondContact OD1-CB 2.97Å; D195-Y197 WeakPolarHBondContact OD1-CD2 3.42Å; D195-Y197 PolarHBondContact OD1-N 3.13Å; Y197-T231 HydrophobicContact CD1-CG2 3.96Å; Y197-T231 HydrophobicContact CE1-CG2 4.01Å; Y197-Y280 AromaticContact CE1-CE1 3.87Å; Y197-Y280 HydrophobicContact CE1-CE1 3.87Å; Y197-Y280 AromaticContact CE1-CE2 3.93Å; Y197-Y280 HydrophobicContact CE1-CE2 3.93Å; Y197-Y280 AromaticContact CE1-CZ 3.49Å; Y197-Y280 VanDerWaalsContact CE1-CZ 3.49Å; Y197-Y280 WeakPolarHBondContact CE1-OH 3.35Å; Y197-Y280 PolarHBondContact OH-OH 2.78Å; Y197-F282 AromaticContact CD1-CE2 3.87Å; Y197-F282 HydrophobicContact CD1-CE2 3.87Å; Y197-F282 AromaticContact CD1-CZ 3.71Å; Y197-F282 HydrophobicContact CD1-CZ 3.71Å; Y197-F282 HydrophobicContact CE1-CE2 4.32Å; Y197-F282 AromaticContact CE1-CZ 3.7Å; Y197-F282 HydrophobicContact CE1-CZ 3.7Å; Y197-F282 HydrophobicContact CG-CE2 4.33Å; Y197-F282 HydrophobicContact CG-CZ 4.29Å; Y197-P284 HydrophobicContact CD1-CB 4.35Å; Y197-P284 HydrophobicContact CD1-CG 4.49Å; Y197-T285 WeakPolarHBondContact O-CB 3.36Å; Y197-T285 PolarHBondContact O-N 3.27Å; Y197-V286 WeakPolarHBondContact O-CG1 2.93Å; Y197-V286 WeakPolarHBondContact O-CG2 3.11Å; Y197-V286 PolarHBondContact O-N 2.85Å |
| 198 | R | 95 | Very high | 95.9 | Very high | 20 Ų | 20 | 20.7 Ų | 20.7 | 8% | 0.075 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -32.9 | -175.8 | -59.8 | 175.7 | 54.1 | 83.2 | 13.6 | 114 | W19 E22 D195 L200 | W19-R198 PolarHBondContact O-NH1 3.46Å; E22-R198 IonicContact OE2-CZ 3.15Å; E22-R198 IonicContact OE2-NH1 3.47Å; E22-R198 PolarHBondContact OE2-NH1 3.2Å; E22-R198 IonicContact OE2-NH2 2.73Å; E22-R198 PolarHBondContact OE2-NH2 3.07Å; D195-R198 PolarHBondContact O-N 2.91Å; D195-R198 VanDerWaalsContact O-N 3.14Å; D195-R198 PolarHBondContact OD1-N 2.74Å; D195-R198 WeakPolarHBondContact OD2-CD 3.2Å; R198-L200 PolarHBondContact O-N 2.95Å |
| 199 | N | 94.1 | Very high | 96 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -66.2 | 123.9 | -172.6 | -170.5 | -36.7 | 0 | 0 | 0 | 111.3 | D11 V14 M100 L194 D195 G201 N202 V286 | D11-N199 PolarHBondContact OD2-OD1 3.01Å; V14-N199 HydrophobicContact CG1-CB 4.28Å; V14-N199 WeakPolarHBondContact CG1-ND2 3.23Å; M100-N199 HydrophobicContact CG-CB 4.33Å; M100-N199 HydrophobicContact SD-CB 3.92Å; L194-N199 WeakPolarHBondContact O-CB 3.31Å; L194-N199 PolarHBondContact O-ND2 2.65Å; D195-N199 WeakPolarHBondContact O-CB 3.42Å; D195-N199 PolarHBondContact O-N 3.44Å; N199-G201 PolarHBondContact O-N 3.38Å; N199-G201 VanDerWaalsContact O-N 3.16Å; N199-G201 WeakPolarHBondContact OD1-CA 3.13Å; N199-G201 PolarHBondContact OD1-N 3Å; N199-N202 VanDerWaalsContact O-CB 3.29Å; N199-N202 WeakPolarHBondContact O-CB 3.37Å; N199-N202 PolarHBondContact O-N 3.05Å; N199-V286 WeakPolarHBondContact O-CG1 3.3Å | ||
| 200 | L | 93.5 | Very high | 96.1 | Very high | 42 Ų | 42 | 14.6 Ų | 14.6 | 22% | 0.22 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.5 | -23.2 | -179.6 | -68 | 166.7 | 0 | 0 | 0 | 111.9 | D11 H38 R198 N202 S203 I204 | D11-L200 VanDerWaalsContact OD2-CB 3.3Å; D11-L200 WeakPolarHBondContact OD2-CB 3.37Å; D11-L200 PolarHBondContact OD2-N 3.19Å; H38-L200 WeakPolarHBondContact CE1-CD1 3.5Å; H38-L200 WeakPolarHBondContact ND1-CD1 3.22Å; R198-L200 PolarHBondContact O-N 2.95Å; L200-N202 PolarHBondContact O-N 3.43Å; L200-N202 VanDerWaalsContact O-N 3.09Å; L200-S203 PolarHBondContact O-N 3.26Å; L200-I204 VanDerWaalsContact O-CB 3.22Å; L200-I204 WeakPolarHBondContact O-CB 3.25Å; L200-I204 WeakPolarHBondContact O-CG2 3.46Å; L200-I204 PolarHBondContact O-N 3.22Å |
| 201 | G | 94.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -49.2 | -31 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R99 N199 A205 | R99-G201 WeakPolarHBondContact CG-O 3.21Å; N199-G201 PolarHBondContact O-N 3.38Å; N199-G201 VanDerWaalsContact O-N 3.16Å; N199-G201 WeakPolarHBondContact OD1-CA 3.13Å; N199-G201 PolarHBondContact OD1-N 3Å; G201-A205 VanDerWaalsContact O-CB 3.3Å; G201-A205 WeakPolarHBondContact O-CB 3.47Å; G201-A205 PolarHBondContact O-N 3.27Å |
| 202 | N | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.8 | -65.2 | 175.1 | -172.8 | -17.5 | 0 | 0 | 0 | 112.2 | I96 Q196 N199 L200 H206 T231 G233 | I96-N202 HydrophobicContact CB-CB 4.46Å; I96-N202 HydrophobicContact CD1-CB 4.42Å; I96-N202 HydrophobicContact CG2-CB 4.39Å; I96-N202 WeakPolarHBondContact CG2-O 3.45Å; I96-N202 WeakPolarHBondContact CG2-OD1 3.47Å; Q196-N202 PolarHBondContact O-ND2 3.28Å; N199-N202 VanDerWaalsContact O-CB 3.29Å; N199-N202 WeakPolarHBondContact O-CB 3.37Å; N199-N202 PolarHBondContact O-N 3.05Å; L200-N202 PolarHBondContact O-N 3.43Å; L200-N202 VanDerWaalsContact O-N 3.09Å; N202-H206 PolarHBondContact O-CD2 3.39Å; N202-T231 PolarHBondContact ND2-OG1 3.04Å; N202-G233 WeakPolarHBondContact OD1-CA 3.32Å |
| 203 | S | 97 | Very high | 96.5 | Very high | 9 Ų | 9 | 10 Ų | 10 | 6% | 0.063 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -71.3 | -34.1 | -175.3 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | L200 A205 H206 Y207 G233 G237 | L200-S203 PolarHBondContact O-N 3.26Å; S203-A205 PolarHBondContact O-N 2.86Å; S203-H206 PolarHBondContact O-N 2.53Å; S203-Y207 PolarHBondContact O-N 3.48Å; S203-G233 WeakPolarHBondContact CA-O 3.22Å; S203-G237 VanDerWaalsContact O-CA 3.26Å; S203-G237 WeakPolarHBondContact O-CA 3.25Å |
| 204 | I | 96.1 | Very high | 96.6 | Very high | 14 Ų | 14 | 9.2 Ų | 9.2 | 7% | 0.072 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -70.7 | -30.5 | -178.2 | -153.7 | 164 | 0 | 0 | 0 | 112.8 | H38 F39 R99 L200 H206 Y207 D208 | H38-I204 HydrophobicContact CB-CD1 3.66Å; F39-I204 WeakPolarHBondContact O-CD1 3.32Å; R99-I204 HydrophobicContact CG-CG2 4.03Å; L200-I204 VanDerWaalsContact O-CB 3.22Å; L200-I204 WeakPolarHBondContact O-CB 3.25Å; L200-I204 WeakPolarHBondContact O-CG2 3.46Å; L200-I204 PolarHBondContact O-N 3.22Å; I204-H206 PolarHBondContact O-N 2.92Å; I204-Y207 PolarHBondContact O-N 3.43Å; I204-D208 VanDerWaalsContact O-CB 3.29Å; I204-D208 WeakPolarHBondContact O-CB 3.25Å; I204-D208 PolarHBondContact O-N 3.31Å |
| 205 | A | 98 | Very high | 96.8 | Very high | 4 Ų | 4 | 9.4 Ų | 9.4 | 3% | 0.033 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -58.8 | -39.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R95 I96 R99 G201 S203 Q209 | R95-A205 HydrophobicContact CB-CB 4.37Å; I96-A205 HydrophobicContact CG2-CB 4.32Å; R99-A205 HydrophobicContact CB-CB 3.8Å; R99-A205 HydrophobicContact CG-CB 4.02Å; G201-A205 VanDerWaalsContact O-CB 3.3Å; G201-A205 WeakPolarHBondContact O-CB 3.47Å; G201-A205 PolarHBondContact O-N 3.27Å; S203-A205 PolarHBondContact O-N 2.86Å; A205-Q209 WeakPolarHBondContact O-CB 3.13Å; A205-Q209 PolarHBondContact O-N 2.93Å |
| 206 | H | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -77.7 | -36.8 | 178.8 | -64.4 | -54.2 | 0 | 0 | 0 | 112.7 | V92 I96 N202 S203 I204 T210 A211 S234 I238 | V92-H206 VanDerWaalsContact CG2-CE1 3.44Å; V92-H206 WeakPolarHBondContact CG2-CE1 3.22Å; I96-H206 WeakPolarHBondContact CG2-NE2 3.41Å; N202-H206 PolarHBondContact O-CD2 3.39Å; S203-H206 PolarHBondContact O-N 2.53Å; I204-H206 PolarHBondContact O-N 2.92Å; H206-T210 PolarHBondContact ND1-OG1 2.8Å; H206-T210 PolarHBondContact O-N 3.24Å; H206-A211 WeakPolarHBondContact O-CB 3.45Å; H206-A211 PolarHBondContact O-N 2.84Å; H206-S234 WeakPolarHBondContact CD2-CA 3.31Å; H206-S234 PolarHBondContact CD2-OG 2.92Å; H206-S234 PolarHBondContact CE1-OG 3.22Å; H206-S234 PolarHBondContact NE2-OG 2.97Å; H206-I238 HydrophobicContact CB-CG1 4.06Å |
| 207 | Y | 98.3 | Very high | 97.2 | Very high | 33 Ų | 33 | 16.6 Ų | 16.6 | 13% | 0.129 | 8% | 0.082 | C | C | . | . | I | π-helix | trans | -64.8 | -45.5 | 174.5 | 179.5 | -88.1 | 0 | 0 | 0 | 112.6 | H40 S203 I204 G237 R240 K241 E244 | H40-Y207 AromaticContact CE1-CD1 3.69Å; H40-Y207 AromaticContact CE1-CE1 3.43Å; H40-Y207 VanDerWaalsContact CE1-CE1 3.43Å; H40-Y207 WeakPolarHBondContact CE1-CE1 2.93Å; H40-Y207 AromaticContact ND1-CD1 3.78Å; H40-Y207 AromaticContact ND1-CE1 3.68Å; S203-Y207 PolarHBondContact O-N 3.48Å; I204-Y207 PolarHBondContact O-N 3.43Å; Y207-G237 WeakPolarHBondContact CA-O 3.15Å; Y207-R240 HydrophobicContact CD2-CB 3.92Å; Y207-R240 HydrophobicContact CE2-CB 4.15Å; Y207-K241 HydrophobicContact CD2-CB 3.72Å; Y207-K241 VanDerWaalsContact CE1-CE 3.43Å; Y207-K241 VanDerWaalsContact CE1-NZ 3.26Å; Y207-K241 HydrophobicContact CE2-CB 3.9Å; Y207-K241 HydrophobicContact CE2-CD 4.33Å; Y207-K241 HydrophobicContact CG-CB 4.37Å; Y207-K241 VanDerWaalsContact O-CE 3.29Å; Y207-K241 WeakPolarHBondContact O-CE 2.77Å; Y207-K241 PolarHBondContact OH-NZ 2.88Å; Y207-K241 VanDerWaalsContact OH-NZ 3.12Å; Y207-E244 WeakPolarHBondContact CE2-OE1 3.37Å; Y207-E244 WeakPolarHBondContact CE2-OE2 3.28Å; Y207-E244 PolarHBondContact OH-OE1 3.1Å; Y207-E244 PolarHBondContact OH-OE2 3.15Å |
| 208 | D | 98 | Very high | 97.4 | Very high | 7 Ų | 7 | 16.7 Ų | 16.7 | 4% | 0.037 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -76.5 | -33.9 | -175.9 | -75.5 | -7.5 | 0 | 0 | 0 | 113.3 | H40 E41 R99 I204 | H40-D208 WeakPolarHBondContact CA-OD2 3.31Å; H40-D208 IonicContact CE1-OD1 2.64Å; H40-D208 IonicContact CG-OD1 3.75Å; H40-D208 IonicContact ND1-OD1 3.19Å; H40-D208 PolarHBondContact ND1-OD1 3Å; H40-D208 IonicContact ND1-OD2 3.11Å; E41-D208 HydrophobicContact CB-CB 4.44Å; E41-D208 PolarHBondContact N-OD2 2.93Å; R99-D208 IonicContact CZ-OD2 3.18Å; R99-D208 IonicContact NH1-OD2 3.78Å; R99-D208 PolarHBondContact NH1-OD2 3.19Å; R99-D208 IonicContact NH2-OD2 2.68Å; R99-D208 PolarHBondContact NH2-OD2 3.18Å; I204-D208 VanDerWaalsContact O-CB 3.29Å; I204-D208 WeakPolarHBondContact O-CB 3.25Å; I204-D208 PolarHBondContact O-N 3.31Å |
| 209 | Q | 98.4 | Very high | 97.5 | Very high | 11 Ų | 11 | 22.8 Ų | 22.8 | 5% | 0.051 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -123 | -62.6 | -169.3 | -59.4 | -68.4 | -51.6 | 0 | 0 | 112 | Q42 A205 A211 E212 E213 | Q42-Q209 PolarHBondContact O-NE2 2.83Å; A205-Q209 WeakPolarHBondContact O-CB 3.13Å; A205-Q209 PolarHBondContact O-N 2.93Å; Q209-A211 VanDerWaalsContact C-N 3.27Å; Q209-A211 PolarHBondContact O-N 3.31Å; Q209-E212 PolarHBondContact O-N 3.3Å; Q209-E213 WeakPolarHBondContact O-CB 3.47Å; Q209-E213 VanDerWaalsContact O-CG 3.27Å; Q209-E213 WeakPolarHBondContact O-CG 3.4Å; Q209-E213 PolarHBondContact O-N 2.78Å |
| 210 | T | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -57.6 | -41.4 | -173.5 | -49.3 | 0 | 0 | 0 | 0 | 112.2 | R95 H206 I214 I238 L363 | R95-T210 WeakPolarHBondContact CD-OG1 3.31Å; R95-T210 PolarHBondContact NE-OG1 2.88Å; H206-T210 PolarHBondContact ND1-OG1 2.8Å; H206-T210 PolarHBondContact O-N 3.24Å; T210-I214 HydrophobicContact CG2-CD1 4.32Å; T210-I214 VanDerWaalsContact O-CG1 3.3Å; T210-I214 WeakPolarHBondContact O-CG1 3.41Å; T210-I214 PolarHBondContact O-N 3.45Å; T210-I214 VanDerWaalsContact O-N 3.1Å; T210-I238 HydrophobicContact CG2-CD1 3.73Å; T210-I238 HydrophobicContact CG2-CG1 4.12Å; T210-L363 HydrophobicContact CG2-CD1 4.33Å |
| 211 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.5 | -43.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H206 Q209 E213 I214 L215 I238 K241 | H206-A211 WeakPolarHBondContact O-CB 3.45Å; H206-A211 PolarHBondContact O-N 2.84Å; Q209-A211 VanDerWaalsContact C-N 3.27Å; Q209-A211 PolarHBondContact O-N 3.31Å; A211-E213 VanDerWaalsContact C-N 3.33Å; A211-I214 PolarHBondContact O-N 3.3Å; A211-L215 WeakPolarHBondContact O-CG 3.41Å; A211-L215 PolarHBondContact O-N 3.19Å; A211-I238 HydrophobicContact CB-CB 4.36Å; A211-I238 HydrophobicContact CB-CG2 3.98Å; A211-K241 HydrophobicContact CB-CB 3.49Å; A211-K241 VanDerWaalsContact CB-CB 3.49Å; A211-K241 HydrophobicContact CB-CG 3.54Å |
| 212 | E | 98.4 | Very high | 97.8 | Very high | 34 Ų | 34 | 25.4 Ų | 25.4 | 16% | 0.159 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66 | -37.1 | 176.4 | -65.1 | -70.8 | 178 | 0 | 0 | 110.9 | Y43 Q209 I214 L215 D216 K241 R245 | Y43-E212 HydrophobicContact CD1-CB 3.77Å; Y43-E212 HydrophobicContact CD2-CB 3.88Å; Y43-E212 HydrophobicContact CE1-CB 4.37Å; Y43-E212 HydrophobicContact CE2-CB 4.47Å; Y43-E212 HydrophobicContact CG-CB 3.5Å; Y43-E212 VanDerWaalsContact CG-CB 3.5Å; Y43-E212 HydrophobicContact CG-CG 4.34Å; Q209-E212 PolarHBondContact O-N 3.3Å; E212-I214 PolarHBondContact O-N 2.99Å; E212-L215 PolarHBondContact O-N 2.83Å; E212-D216 WeakPolarHBondContact O-CB 3.44Å; E212-D216 PolarHBondContact O-N 3.28Å; E212-K241 VanDerWaalsContact OE1-CD 3.29Å; E212-K241 WeakPolarHBondContact OE1-CD 3.37Å; E212-K241 WeakPolarHBondContact OE1-CE 3.49Å; E212-K241 IonicContact OE1-NZ 2.68Å; E212-K241 PolarHBondContact OE1-NZ 3.26Å; E212-R245 IonicContact OE1-NH1 3.69Å; E212-R245 IonicContact OE2-NH1 3.53Å; E212-R245 PolarHBondContact OE2-NH1 3.07Å |
| 213 | E | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 170.7 | -73.1 | 173.2 | -154 | 0 | 0 | 111.4 | Y43 R60 T61 K82 R95 Q209 A211 D216 Q217 | Y43-E213 HydrophobicContact CD2-CG 4.34Å; Y43-E213 HydrophobicContact CE2-CB 4.31Å; Y43-E213 HydrophobicContact CE2-CG 3.53Å; R60-E213 PolarHBondContact N-OE1 3.37Å; R60-E213 PolarHBondContact N-OE2 3.1Å; T61-E213 PolarHBondContact N-OE2 3Å; K82-E213 WeakPolarHBondContact CE-OE2 3.46Å; K82-E213 IonicContact NZ-OE2 3.91Å; K82-E213 PolarHBondContact NZ-OE2 2.92Å; R95-E213 IonicContact CZ-OE1 2.65Å; R95-E213 IonicContact CZ-OE2 2.84Å; R95-E213 IonicContact NH1-OE1 2.68Å; R95-E213 PolarHBondContact NH1-OE1 3.46Å; R95-E213 IonicContact NH1-OE2 2.84Å; R95-E213 IonicContact NH2-OE1 3.7Å; R95-E213 PolarHBondContact NH2-OE1 3.48Å; R95-E213 IonicContact NH2-OE2 3.94Å; R95-E213 PolarHBondContact NH2-OE2 3.21Å; Q209-E213 WeakPolarHBondContact O-CB 3.47Å; Q209-E213 VanDerWaalsContact O-CG 3.27Å; Q209-E213 WeakPolarHBondContact O-CG 3.4Å; Q209-E213 PolarHBondContact O-N 2.78Å; A211-E213 VanDerWaalsContact C-N 3.33Å; E213-D216 PolarHBondContact O-N 3.02Å; E213-Q217 WeakPolarHBondContact O-CB 3.23Å; E213-Q217 WeakPolarHBondContact O-CG 3.36Å; E213-Q217 PolarHBondContact O-N 3.45Å; E213-Q217 PolarHBondContact O-OE1 2.99Å |
| 214 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 178.4 | -71.1 | 165 | 0 | 0 | 0 | 110.7 | K82 T210 A211 E212 C218 I222 L225 I238 V361 | K82-I214 HydrophobicContact CD-CG1 4.14Å; K82-I214 HydrophobicContact CG-CD1 4.34Å; K82-I214 HydrophobicContact CG-CG1 4.2Å; T210-I214 HydrophobicContact CG2-CD1 4.32Å; T210-I214 VanDerWaalsContact O-CG1 3.3Å; T210-I214 WeakPolarHBondContact O-CG1 3.41Å; T210-I214 PolarHBondContact O-N 3.45Å; T210-I214 VanDerWaalsContact O-N 3.1Å; A211-I214 PolarHBondContact O-N 3.3Å; E212-I214 PolarHBondContact O-N 2.99Å; I214-C218 WeakPolarHBondContact O-CB 3.35Å; I214-C218 PolarHBondContact O-N 3.24Å; I214-C218 PolarHBondContact O-SG 2.83Å; I214-I222 HydrophobicContact CG2-CD1 4.21Å; I214-I222 HydrophobicContact CG2-CG2 4.26Å; I214-L225 HydrophobicContact CD1-CD1 4.26Å; I214-I238 HydrophobicContact CD1-CD1 4.3Å; I214-I238 HydrophobicContact CD1-CG2 4.01Å; I214-V361 HydrophobicContact CD1-CG1 4.31Å; I214-V361 HydrophobicContact CG1-CG1 4.42Å; I214-V361 HydrophobicContact CG2-CG1 4.19Å; I214-V361 HydrophobicContact CG2-CG2 4.22Å |
| 215 | L | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62 | -48 | 179.5 | -74.9 | 168.3 | 0 | 0 | 0 | 111.1 | A211 E212 C218 N219 G220 K241 I242 R245 L246 | A211-L215 WeakPolarHBondContact O-CG 3.41Å; A211-L215 PolarHBondContact O-N 3.19Å; E212-L215 PolarHBondContact O-N 2.83Å; L215-C218 CarbonylContact O-C 3.48Å; L215-C218 PolarHBondContact O-N 2.86Å; L215-N219 PolarHBondContact O-N 3.05Å; L215-G220 WeakPolarHBondContact O-CA 3.08Å; L215-G220 PolarHBondContact O-N 2.78Å; L215-K241 HydrophobicContact CD1-CD 4.48Å; L215-K241 HydrophobicContact CD1-CG 3.96Å; L215-I242 HydrophobicContact CD1-CD1 4.09Å; L215-I242 HydrophobicContact CD2-CD1 3.57Å; L215-I242 HydrophobicContact CG-CD1 3.64Å; L215-R245 HydrophobicContact CD1-CB 4.15Å; L215-R245 HydrophobicContact CD1-CG 3.84Å; L215-R245 HydrophobicContact CD2-CB 4.41Å; L215-L246 HydrophobicContact CD2-CD1 3.77Å; L215-L246 HydrophobicContact CD2-CG 4.37Å |
| 216 | D | 98.1 | Very high | 98.2 | Very high | 95 Ų | 95 | 26.1 Ų | 26.1 | 51% | 0.508 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61.1 | -51.2 | 177.8 | -175.6 | 48.4 | 0 | 0 | 0 | 111.2 | Y43 E212 E213 C218 N219 | Y43-D216 HydrophobicContact CE1-CB 3.79Å; Y43-D216 PolarHBondContact OH-OD2 3.03Å; E212-D216 WeakPolarHBondContact O-CB 3.44Å; E212-D216 PolarHBondContact O-N 3.28Å; E213-D216 PolarHBondContact O-N 3.02Å; D216-C218 PolarHBondContact O-N 2.8Å; D216-N219 PolarHBondContact O-N 2.81Å |
| 217 | Q | 98.4 | Very high | 98.1 | Very high | 72 Ų | 72 | 26.1 Ų | 26.1 | 34% | 0.336 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.4 | -26.4 | 178.7 | -69.8 | 170.1 | -36.7 | 0 | 0 | 113.4 | T61 L63 E213 | T61-Q217 PolarHBondContact O-NE2 3.5Å; L63-Q217 HydrophobicContact CB-CB 4.18Å; L63-Q217 HydrophobicContact CB-CG 4.48Å; L63-Q217 HydrophobicContact CD2-CB 3.7Å; E213-Q217 WeakPolarHBondContact O-CB 3.23Å; E213-Q217 WeakPolarHBondContact O-CG 3.36Å; E213-Q217 PolarHBondContact O-N 3.45Å; E213-Q217 PolarHBondContact O-OE1 2.99Å |
| 218 | C | 98.2 | Very high | 98 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 7.4 | 177.4 | -66.3 | 0 | 0 | 0 | 0 | 114 | L63 I214 L215 D216 G220 S221 I222 K359 | L63-C218 WeakPolarHBondContact CD2-SG 3.07Å; I214-C218 WeakPolarHBondContact O-CB 3.35Å; I214-C218 PolarHBondContact O-N 3.24Å; I214-C218 PolarHBondContact O-SG 2.83Å; L215-C218 CarbonylContact O-C 3.48Å; L215-C218 PolarHBondContact O-N 2.86Å; D216-C218 PolarHBondContact O-N 2.8Å; C218-G220 PolarHBondContact O-N 2.87Å; C218-S221 WeakPolarHBondContact CB-O 3.07Å; C218-S221 PolarHBondContact O-N 2.86Å; C218-I222 HydrophobicContact CB-CG2 3.49Å; C218-I222 VanDerWaalsContact CB-CG2 3.49Å; C218-I222 WeakPolarHBondContact SG-CG2 3.29Å; C218-K359 PolarHBondContact O-NZ 3.26Å |
| 219 | N | 97.3 | Very high | 98 | Very high | 148 Ų | 148 | 24.8 Ų | 24.8 | 79% | 0.791 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 40.9 | -173.4 | -60.3 | -43.1 | 0 | 0 | 0 | 112.8 | L215 D216 S221 | L215-N219 PolarHBondContact O-N 3.05Å; D216-N219 PolarHBondContact O-N 2.81Å; N219-S221 VanDerWaalsContact C-N 3.27Å; N219-S221 PolarHBondContact O-N 3.43Å |
| 220 | G | 96.3 | Very high | 97.7 | Very high | 34 Ų | 34 | 24.6 Ų | 24.6 | 35% | 0.351 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 12.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L215 C218 L246 | L215-G220 WeakPolarHBondContact O-CA 3.08Å; L215-G220 PolarHBondContact O-N 2.78Å; C218-G220 PolarHBondContact O-N 2.87Å; G220-L246 WeakPolarHBondContact O-CD2 3.2Å |
| 221 | S | 95.9 | Very high | 97.6 | Very high | 54 Ų | 54 | 24.9 Ų | 24.9 | 38% | 0.378 | 15% | 0.147 | S | C | . | . | trans | -128.1 | 106.7 | -175.6 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | C218 N219 K359 | C218-S221 WeakPolarHBondContact CB-O 3.07Å; C218-S221 PolarHBondContact O-N 2.86Å; N219-S221 VanDerWaalsContact C-N 3.27Å; N219-S221 PolarHBondContact O-N 3.43Å; S221-K359 WeakPolarHBondContact O-CD 3.32Å; S221-K359 PolarHBondContact O-NZ 2.75Å; S221-K359 VanDerWaalsContact O-NZ 3.11Å | ||
| 222 | I | 97.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | trans | -135.3 | 148 | 167.9 | 66.7 | 167.4 | 0 | 0 | 0 | 109.7 | I214 C218 I242 L246 A249 V361 | I214-I222 HydrophobicContact CG2-CD1 4.21Å; I214-I222 HydrophobicContact CG2-CG2 4.26Å; C218-I222 HydrophobicContact CB-CG2 3.49Å; C218-I222 VanDerWaalsContact CB-CG2 3.49Å; C218-I222 WeakPolarHBondContact SG-CG2 3.29Å; I222-I242 HydrophobicContact CD1-CD1 3.45Å; I222-I242 VanDerWaalsContact CD1-CD1 3.45Å; I222-I242 HydrophobicContact CD1-CG1 3.83Å; I222-I242 HydrophobicContact CD1-CG2 3.9Å; I222-I242 HydrophobicContact CG1-CD1 4.29Å; I222-I242 HydrophobicContact CG1-CG2 4.39Å; I222-L246 HydrophobicContact CG1-CD1 3.61Å; I222-A249 HydrophobicContact CG1-CB 4.46Å; I222-V361 HydrophobicContact CG2-CG2 3.9Å | ||
| 223 | D | 98.6 | Very high | 97.5 | Very high | 41 Ų | 41 | 23.4 Ų | 23.4 | 22% | 0.219 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -110.3 | -26.9 | -180 | -61.4 | -99.6 | 0 | 0 | 0 | 112 | A249 I250 L354 Q358 K359 | D223-A249 CarbonylContact O-C 3.58Å; D223-A249 WeakPolarHBondContact O-CA 3.48Å; D223-I250 PolarHBondContact O-N 2.83Å; D223-L354 HydrophobicContact CB-CD2 4.24Å; D223-Q358 HydrophobicContact CB-CB 3.99Å; D223-Q358 HydrophobicContact CB-CG 4.44Å; D223-Q358 PolarHBondContact OD1-NE2 2.73Å; D223-Q358 WeakPolarHBondContact OD2-CA 3.13Å; D223-Q358 WeakPolarHBondContact OD2-CB 3.41Å; D223-K359 PolarHBondContact N-O 3.06Å; D223-K359 PolarHBondContact OD2-N 3.24Å |
| 224 | M | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 139.6 | 178.2 | -171.7 | 176.3 | -67.4 | 0 | 0 | 112 | V226 I250 V252 A350 A351 L354 K359 C360 V361 | M224-V226 HydrophobicContact CG-CG2 4.11Å; M224-V226 HydrophobicContact SD-CG2 4.19Å; M224-I250 CarbonylContact C-O 3.58Å; M224-I250 WeakPolarHBondContact CA-O 3.33Å; M224-I250 HydrophobicContact CE-CB 4.38Å; M224-I250 HydrophobicContact CE-CD1 4.2Å; M224-I250 HydrophobicContact CE-CG2 4.39Å; M224-I250 HydrophobicContact CG-CB 4.39Å; M224-V252 HydrophobicContact CG-CG2 4.04Å; M224-V252 HydrophobicContact SD-CG2 4.01Å; M224-A350 HydrophobicContact SD-CB 3.92Å; M224-A351 HydrophobicContact SD-CB 4.47Å; M224-L354 HydrophobicContact CB-CD1 3.84Å; M224-L354 HydrophobicContact CE-CD1 4.03Å; M224-L354 HydrophobicContact CE-CD2 4.03Å; M224-L354 HydrophobicContact CE-CG 3.96Å; M224-L354 HydrophobicContact SD-CD1 4.27Å; M224-K359 PolarHBondContact N-O 3.19Å; M224-C360 HydrophobicContact CB-CB 4.24Å; M224-C360 CarbonylContact O-C 3.58Å; M224-C360 WeakPolarHBondContact O-CA 3.47Å; M224-V361 PolarHBondContact O-N 2.76Å |
| 225 | L | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.5 | 168.6 | 174.8 | 74.5 | 0 | 0 | 0 | 108.9 | I214 I238 I250 V251 V252 V361 | I214-L225 HydrophobicContact CD1-CD1 4.26Å; L225-I238 HydrophobicContact CD1-CG2 4.04Å; L225-I238 HydrophobicContact CD2-CB 3.73Å; L225-I238 HydrophobicContact CD2-CG2 3.27Å; L225-I238 HydrophobicContact CG-CG2 4.29Å; L225-I250 PolarHBondContact N-O 2.83Å; L225-V251 HydrophobicContact CD2-CG1 4.22Å; L225-V251 HydrophobicContact CD2-CG2 4.46Å; L225-V252 PolarHBondContact O-N 2.83Å; L225-V361 CarbonylContact C-O 3.45Å; L225-V361 WeakPolarHBondContact CA-O 3.19Å; L225-V361 HydrophobicContact CD1-CB 4.4Å; L225-V361 HydrophobicContact CD1-CG1 4.33Å |
| 226 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 122.4 | 175.9 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | M224 V252 V254 N343 A346 A347 V361 V362 L363 | M224-V226 HydrophobicContact CG-CG2 4.11Å; M224-V226 HydrophobicContact SD-CG2 4.19Å; V226-V252 WeakPolarHBondContact CA-O 3.46Å; V226-V252 HydrophobicContact CB-CB 4.47Å; V226-V252 HydrophobicContact CG1-CB 4.32Å; V226-V252 HydrophobicContact CG1-CG1 4.37Å; V226-V252 HydrophobicContact CG2-CB 4.1Å; V226-V252 HydrophobicContact CG2-CG2 4.37Å; V226-V254 HydrophobicContact CG1-CG2 3.62Å; V226-N343 WeakPolarHBondContact CG1-O 3.46Å; V226-A346 HydrophobicContact CG1-CB 4.21Å; V226-A347 HydrophobicContact CB-CB 4.1Å; V226-A347 HydrophobicContact CG1-CB 4.14Å; V226-A347 HydrophobicContact CG2-CB 3.82Å; V226-V361 PolarHBondContact N-O 3.25Å; V226-V362 HydrophobicContact CB-CG1 4.38Å; V226-V362 HydrophobicContact CB-CG2 4.4Å; V226-V362 WeakPolarHBondContact O-CA 3.42Å; V226-L363 PolarHBondContact O-N 2.98Å |
| 227 | A | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 134.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V235 V252 G253 V254 L363 | A227-V235 HydrophobicContact CB-CB 4.14Å; A227-V235 HydrophobicContact CB-CG2 4.32Å; A227-V252 PolarHBondContact N-O 2.7Å; A227-G253 WeakPolarHBondContact O-CA 3.4Å; A227-V254 PolarHBondContact O-N 3.47Å; A227-V254 VanDerWaalsContact O-N 3.08Å; A227-L363 HydrophobicContact CB-CB 4.02Å; A227-L363 HydrophobicContact CB-CD2 4.16Å |
| 228 | G | 96.2 | Very high | 97.5 | Very high | 13 Ų | 13 | 15.7 Ų | 15.7 | 13% | 0.134 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 144.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | V254 N343 | G228-V254 CarbonylContact C-O 3.6Å; G228-V254 VanDerWaalsContact CA-O 3.31Å; G228-V254 WeakPolarHBondContact CA-O 3.4Å; G228-N343 WeakPolarHBondContact CA-OD1 3.38Å; G228-N343 VanDerWaalsContact N-CG 3.33Å; G228-N343 PolarHBondContact N-ND2 3.27Å; G228-N343 PolarHBondContact N-OD1 2.88Å |
| 229 | A | 96.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -100.9 | 115.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V235 V254 L261 I278 G279 W295 | A229-V235 HydrophobicContact CB-CG1 4.3Å; A229-V254 PolarHBondContact N-O 3.18Å; A229-L261 HydrophobicContact CB-CD1 4.03Å; A229-I278 CarbonylContact O-C 3.6Å; A229-I278 WeakPolarHBondContact O-CA 3.43Å; A229-I278 WeakPolarHBondContact O-CB 3.44Å; A229-G279 PolarHBondContact O-N 2.78Å; A229-W295 HydrophobicContact CB-CH2 3.76Å; A229-W295 HydrophobicContact CB-CZ3 3.7Å | ||
| 230 | G | 93.3 | Very high | 97.5 | Very high | 7 Ų | 7 | 9.9 Ų | 9.9 | 7% | 0.072 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -96 | -95 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | G232 L261 Y280 | G230-G232 PolarHBondContact O-N 3.4Å; G230-G232 VanDerWaalsContact O-N 3.14Å; G230-L261 VanDerWaalsContact O-CD1 3.3Å; G230-L261 WeakPolarHBondContact O-CD1 3.37Å; G230-Y280 VanDerWaalsContact O-CD2 3.31Å; G230-Y280 WeakPolarHBondContact O-CD2 3.44Å |
| 231 | T | 95.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 9.3 Ų | 9.3 | 3% | 0.031 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -63.3 | -17.4 | 169.9 | 69.6 | 0 | 0 | 0 | 0 | 113.3 | Q196 Y197 N202 G233 P284 V286 | Q196-T231 HydrophobicContact CB-CG2 4.27Å; Q196-T231 HydrophobicContact CG-CG2 3.82Å; Y197-T231 HydrophobicContact CD1-CG2 3.96Å; Y197-T231 HydrophobicContact CE1-CG2 4.01Å; N202-T231 PolarHBondContact ND2-OG1 3.04Å; T231-G233 VanDerWaalsContact C-N 3.27Å; T231-G233 PolarHBondContact O-N 3.17Å; T231-G233 PolarHBondContact OG1-N 2.74Å; T231-P284 VanDerWaalsContact O-CB 3.25Å; T231-P284 WeakPolarHBondContact O-CB 3.31Å; T231-V286 WeakPolarHBondContact O-CG2 3.28Å |
| 232 | G | 96.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 6.8 Ų | 6.8 | 3% | 0.031 | 4% | 0.039 | C | C | . | . | S | Bend | trans | 83.7 | -11.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G230 S234 V235 T236 | G230-G232 PolarHBondContact O-N 3.4Å; G230-G232 VanDerWaalsContact O-N 3.14Å; G232-S234 VanDerWaalsContact C-N 3.33Å; G232-S234 PolarHBondContact O-N 3.02Å; G232-V235 VanDerWaalsContact O-CG1 3.29Å; G232-V235 WeakPolarHBondContact O-CG1 3.3Å; G232-V235 PolarHBondContact O-N 3.2Å; G232-T236 VanDerWaalsContact O-CB 3.32Å; G232-T236 WeakPolarHBondContact O-CB 3.4Å; G232-T236 PolarHBondContact O-N 2.74Å; G232-T236 PolarHBondContact O-OG1 2.76Å |
| 233 | G | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59.5 | -36.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N202 S203 T231 G237 | N202-G233 WeakPolarHBondContact OD1-CA 3.32Å; S203-G233 WeakPolarHBondContact CA-O 3.22Å; T231-G233 VanDerWaalsContact C-N 3.27Å; T231-G233 PolarHBondContact O-N 3.17Å; T231-G233 PolarHBondContact OG1-N 2.74Å; G233-G237 PolarHBondContact O-N 2.92Å |
| 234 | S | 98.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 8.4 Ų | 8.4 | 6% | 0.063 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -67.9 | -50.8 | 176.7 | -49.6 | 0 | 0 | 0 | 0 | 112.7 | H206 G232 T236 I238 | H206-S234 WeakPolarHBondContact CD2-CA 3.31Å; H206-S234 PolarHBondContact CD2-OG 2.92Å; H206-S234 PolarHBondContact CE1-OG 3.22Å; H206-S234 PolarHBondContact NE2-OG 2.97Å; G232-S234 VanDerWaalsContact C-N 3.33Å; G232-S234 PolarHBondContact O-N 3.02Å; S234-T236 VanDerWaalsContact C-N 3.32Å; S234-T236 PolarHBondContact O-N 3.34Å; S234-I238 WeakPolarHBondContact O-CB 3.35Å; S234-I238 WeakPolarHBondContact O-CG1 3.46Å; S234-I238 PolarHBondContact O-N 2.82Å |
| 235 | V | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 179.3 | 67.4 | 0 | 0 | 0 | 0 | 111.2 | A227 A229 G232 G239 V251 L287 V292 | A227-V235 HydrophobicContact CB-CB 4.14Å; A227-V235 HydrophobicContact CB-CG2 4.32Å; A229-V235 HydrophobicContact CB-CG1 4.3Å; G232-V235 VanDerWaalsContact O-CG1 3.29Å; G232-V235 WeakPolarHBondContact O-CG1 3.3Å; G232-V235 PolarHBondContact O-N 3.2Å; V235-G239 WeakPolarHBondContact O-CA 3.37Å; V235-G239 PolarHBondContact O-N 3.01Å; V235-V251 HydrophobicContact CG2-CG1 3.83Å; V235-L287 HydrophobicContact CG1-CD1 3.97Å; V235-V292 HydrophobicContact CG1-CG2 4.36Å; V235-V292 HydrophobicContact CG2-CG2 3.83Å |
| 236 | T | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67 | -52.6 | 175.6 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | G232 S234 I238 G239 R240 V286 D288 | G232-T236 VanDerWaalsContact O-CB 3.32Å; G232-T236 WeakPolarHBondContact O-CB 3.4Å; G232-T236 PolarHBondContact O-N 2.74Å; G232-T236 PolarHBondContact O-OG1 2.76Å; S234-T236 VanDerWaalsContact C-N 3.32Å; S234-T236 PolarHBondContact O-N 3.34Å; T236-I238 PolarHBondContact O-N 3.03Å; T236-G239 PolarHBondContact O-N 2.56Å; T236-R240 HydrophobicContact CG2-CG 4.31Å; T236-R240 WeakPolarHBondContact O-CB 3.4Å; T236-R240 VanDerWaalsContact O-CG 3.23Å; T236-R240 WeakPolarHBondContact O-CG 3.44Å; T236-R240 PolarHBondContact O-N 3.27Å; T236-V286 WeakPolarHBondContact CG2-O 3.48Å; T236-V286 PolarHBondContact OG1-O 3.26Å; T236-D288 HydrophobicContact CG2-CB 3.55Å; T236-D288 PolarHBondContact OG1-N 3.19Å |
| 237 | G | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.1 | -47 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S203 Y207 G233 K241 | S203-G237 VanDerWaalsContact O-CA 3.26Å; S203-G237 WeakPolarHBondContact O-CA 3.25Å; Y207-G237 WeakPolarHBondContact CA-O 3.15Å; G233-G237 PolarHBondContact O-N 2.92Å; G237-K241 PolarHBondContact O-N 2.94Å |
| 238 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.1 | -48.3 | 177.5 | -52 | 167.6 | 0 | 0 | 0 | 110.3 | H206 T210 A211 I214 L225 S234 T236 R240 K241 I242 L363 | H206-I238 HydrophobicContact CB-CG1 4.06Å; T210-I238 HydrophobicContact CG2-CD1 3.73Å; T210-I238 HydrophobicContact CG2-CG1 4.12Å; A211-I238 HydrophobicContact CB-CB 4.36Å; A211-I238 HydrophobicContact CB-CG2 3.98Å; I214-I238 HydrophobicContact CD1-CD1 4.3Å; I214-I238 HydrophobicContact CD1-CG2 4.01Å; L225-I238 HydrophobicContact CD1-CG2 4.04Å; L225-I238 HydrophobicContact CD2-CB 3.73Å; L225-I238 HydrophobicContact CD2-CG2 3.27Å; L225-I238 HydrophobicContact CG-CG2 4.29Å; S234-I238 WeakPolarHBondContact O-CB 3.35Å; S234-I238 WeakPolarHBondContact O-CG1 3.46Å; S234-I238 PolarHBondContact O-N 2.82Å; T236-I238 PolarHBondContact O-N 3.03Å; I238-R240 PolarHBondContact O-N 3.18Å; I238-K241 PolarHBondContact O-N 2.88Å; I238-I242 HydrophobicContact CG2-CG1 3.95Å; I238-I242 WeakPolarHBondContact O-CB 3.42Å; I238-I242 VanDerWaalsContact O-CG1 3.31Å; I238-I242 WeakPolarHBondContact O-CG1 3.3Å; I238-I242 PolarHBondContact O-N 2.8Å; I238-L363 HydrophobicContact CD1-CD1 4.25Å; I238-L363 HydrophobicContact CD1-CD2 4.21Å |
| 239 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.1 | -45.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V235 T236 K241 I242 K243 | V235-G239 WeakPolarHBondContact O-CA 3.37Å; V235-G239 PolarHBondContact O-N 3.01Å; T236-G239 PolarHBondContact O-N 2.56Å; G239-K241 PolarHBondContact O-N 3.08Å; G239-I242 PolarHBondContact O-N 3.05Å; G239-K243 WeakPolarHBondContact O-CB 3.48Å; G239-K243 VanDerWaalsContact O-CG 3.28Å; G239-K243 WeakPolarHBondContact O-CG 3.3Å; G239-K243 PolarHBondContact O-N 2.91Å |
| 240 | R | 97.9 | Very high | 97.1 | Very high | 30 Ų | 30 | 33.2 Ų | 33.2 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.7 | -51 | 176.4 | -75.2 | -172.9 | 168.9 | -176.7 | -2.1 | 112.2 | C26 W28 Y207 T236 I238 K243 E244 D288 A291 | C26-R240 PolarHBondContact SG-NH1 2.86Å; W28-R240 HydrophobicContact CD2-CB 4.24Å; W28-R240 VanDerWaalsContact CD2-CD 3.42Å; W28-R240 HydrophobicContact CD2-CG 3.65Å; W28-R240 HydrophobicContact CE3-CG 3.72Å; W28-R240 VanDerWaalsContact CE3-NE 3.34Å; W28-R240 HydrophobicContact CG-CG 4.44Å; W28-R240 HydrophobicContact CH2-CB 3.96Å; W28-R240 HydrophobicContact CH2-CG 3.62Å; W28-R240 VanDerWaalsContact CZ2-CA 3.45Å; W28-R240 HydrophobicContact CZ2-CB 3.46Å; W28-R240 VanDerWaalsContact CZ2-CB 3.46Å; W28-R240 HydrophobicContact CZ2-CG 3.54Å; W28-R240 WeakPolarHBondContact CZ2-O 3.5Å; W28-R240 HydrophobicContact CZ3-CG 3.71Å; Y207-R240 HydrophobicContact CD2-CB 3.92Å; Y207-R240 HydrophobicContact CE2-CB 4.15Å; T236-R240 HydrophobicContact CG2-CG 4.31Å; T236-R240 WeakPolarHBondContact O-CB 3.4Å; T236-R240 VanDerWaalsContact O-CG 3.23Å; T236-R240 WeakPolarHBondContact O-CG 3.44Å; T236-R240 PolarHBondContact O-N 3.27Å; I238-R240 PolarHBondContact O-N 3.18Å; R240-K243 PolarHBondContact O-N 3Å; R240-E244 WeakPolarHBondContact O-CG 3.39Å; R240-E244 PolarHBondContact O-N 3.44Å; R240-E244 VanDerWaalsContact O-N 3.12Å; R240-D288 IonicContact CZ-OD2 2.7Å; R240-D288 IonicContact NE-OD2 2.76Å; R240-D288 PolarHBondContact NE-OD2 3.03Å; R240-D288 IonicContact NH2-OD2 3.19Å; R240-D288 PolarHBondContact NH2-OD2 3.01Å; R240-A291 HydrophobicContact CG-CB 3.91Å |
| 241 | K | 97.7 | Very high | 97.4 | Very high | 22 Ų | 22 | 32.9 Ų | 32.9 | 10% | 0.096 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 179.5 | 178.6 | 62.4 | 67.2 | 178.1 | 0 | 112.1 | Y207 A211 E212 L215 G237 I238 G239 E244 R245 | Y207-K241 HydrophobicContact CD2-CB 3.72Å; Y207-K241 VanDerWaalsContact CE1-CE 3.43Å; Y207-K241 VanDerWaalsContact CE1-NZ 3.26Å; Y207-K241 HydrophobicContact CE2-CB 3.9Å; Y207-K241 HydrophobicContact CE2-CD 4.33Å; Y207-K241 HydrophobicContact CG-CB 4.37Å; Y207-K241 VanDerWaalsContact O-CE 3.29Å; Y207-K241 WeakPolarHBondContact O-CE 2.77Å; Y207-K241 PolarHBondContact OH-NZ 2.88Å; Y207-K241 VanDerWaalsContact OH-NZ 3.12Å; A211-K241 HydrophobicContact CB-CB 3.49Å; A211-K241 VanDerWaalsContact CB-CB 3.49Å; A211-K241 HydrophobicContact CB-CG 3.54Å; E212-K241 VanDerWaalsContact OE1-CD 3.29Å; E212-K241 WeakPolarHBondContact OE1-CD 3.37Å; E212-K241 WeakPolarHBondContact OE1-CE 3.49Å; E212-K241 IonicContact OE1-NZ 2.68Å; E212-K241 PolarHBondContact OE1-NZ 3.26Å; L215-K241 HydrophobicContact CD1-CD 4.48Å; L215-K241 HydrophobicContact CD1-CG 3.96Å; G237-K241 PolarHBondContact O-N 2.94Å; I238-K241 PolarHBondContact O-N 2.88Å; G239-K241 PolarHBondContact O-N 3.08Å; K241-E244 IonicContact NZ-OE2 2.73Å; K241-E244 PolarHBondContact O-N 3.05Å; K241-R245 HydrophobicContact CD-CG 4.13Å; K241-R245 WeakPolarHBondContact O-CG 3.36Å; K241-R245 PolarHBondContact O-N 3.21Å; K241-R245 VanDerWaalsContact O-N 3.16Å |
| 242 | I | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 178.1 | -67.5 | -51.7 | 0 | 0 | 0 | 110.8 | L215 I222 I238 G239 E244 R245 L246 A249 | L215-I242 HydrophobicContact CD1-CD1 4.09Å; L215-I242 HydrophobicContact CD2-CD1 3.57Å; L215-I242 HydrophobicContact CG-CD1 3.64Å; I222-I242 HydrophobicContact CD1-CD1 3.45Å; I222-I242 VanDerWaalsContact CD1-CD1 3.45Å; I222-I242 HydrophobicContact CD1-CG1 3.83Å; I222-I242 HydrophobicContact CD1-CG2 3.9Å; I222-I242 HydrophobicContact CG1-CD1 4.29Å; I222-I242 HydrophobicContact CG1-CG2 4.39Å; I238-I242 HydrophobicContact CG2-CG1 3.95Å; I238-I242 WeakPolarHBondContact O-CB 3.42Å; I238-I242 VanDerWaalsContact O-CG1 3.31Å; I238-I242 WeakPolarHBondContact O-CG1 3.3Å; I238-I242 PolarHBondContact O-N 2.8Å; G239-I242 PolarHBondContact O-N 3.05Å; I242-E244 VanDerWaalsContact C-N 3.34Å; I242-E244 PolarHBondContact O-N 2.95Å; I242-R245 PolarHBondContact O-N 3.34Å; I242-L246 CarbonylContact O-C 3.59Å; I242-L246 WeakPolarHBondContact O-CA 3.28Å; I242-L246 PolarHBondContact O-N 3.19Å; I242-A249 HydrophobicContact CG2-CB 3.63Å |
| 243 | K | 96.5 | Very high | 97.6 | Very high | 26 Ų | 26 | 32.5 Ų | 32.5 | 11% | 0.113 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.8 | -33.1 | 178.1 | -72.9 | -60.9 | -167.6 | -178.7 | 0 | 113.8 | A30 G239 R240 P247 A249 D293 | A30-K243 HydrophobicContact CB-CB 4.06Å; G239-K243 WeakPolarHBondContact O-CB 3.48Å; G239-K243 VanDerWaalsContact O-CG 3.28Å; G239-K243 WeakPolarHBondContact O-CG 3.3Å; G239-K243 PolarHBondContact O-N 2.91Å; R240-K243 PolarHBondContact O-N 3Å; K243-P247 WeakPolarHBondContact O-CA 3.46Å; K243-A249 PolarHBondContact NZ-O 3.31Å; K243-D293 VanDerWaalsContact CE-OD1 3.32Å; K243-D293 WeakPolarHBondContact CE-OD1 3.48Å; K243-D293 WeakPolarHBondContact CE-OD2 3.35Å; K243-D293 IonicContact NZ-OD1 3.75Å; K243-D293 PolarHBondContact NZ-OD1 3.17Å; K243-D293 IonicContact NZ-OD2 3.55Å; K243-D293 PolarHBondContact NZ-OD2 3.17Å |
| 244 | E | 95.9 | Very high | 97.6 | Very high | 58 Ų | 58 | 32.5 Ų | 32.5 | 27% | 0.271 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -66.5 | -42.2 | 173.1 | -71.3 | 166 | -175.2 | 0 | 0 | 112.2 | W28 Y207 R240 K241 I242 | W28-E244 HydrophobicContact CZ2-CG 4.22Å; W28-E244 PolarHBondContact NE1-OE1 2.77Å; Y207-E244 WeakPolarHBondContact CE2-OE1 3.37Å; Y207-E244 WeakPolarHBondContact CE2-OE2 3.28Å; Y207-E244 PolarHBondContact OH-OE1 3.1Å; Y207-E244 PolarHBondContact OH-OE2 3.15Å; R240-E244 WeakPolarHBondContact O-CG 3.39Å; R240-E244 PolarHBondContact O-N 3.44Å; R240-E244 VanDerWaalsContact O-N 3.12Å; K241-E244 IonicContact NZ-OE2 2.73Å; K241-E244 PolarHBondContact O-N 3.05Å; I242-E244 VanDerWaalsContact C-N 3.34Å; I242-E244 PolarHBondContact O-N 2.95Å |
| 245 | R | 95.6 | Very high | 97.5 | Very high | 134 Ų | 134 | 32.1 Ų | 32.1 | 51% | 0.506 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -87.9 | -35 | -173.4 | -62.1 | -67.3 | -66.2 | -80.3 | -1.3 | 113 | E212 L215 K241 I242 | E212-R245 IonicContact OE1-NH1 3.69Å; E212-R245 IonicContact OE2-NH1 3.53Å; E212-R245 PolarHBondContact OE2-NH1 3.07Å; L215-R245 HydrophobicContact CD1-CB 4.15Å; L215-R245 HydrophobicContact CD1-CG 3.84Å; L215-R245 HydrophobicContact CD2-CB 4.41Å; K241-R245 HydrophobicContact CD-CG 4.13Å; K241-R245 WeakPolarHBondContact O-CG 3.36Å; K241-R245 PolarHBondContact O-N 3.21Å; K241-R245 VanDerWaalsContact O-N 3.16Å; I242-R245 PolarHBondContact O-N 3.34Å |
| 246 | L | 96.8 | Very high | 97.2 | Very high | 41 Ų | 41 | 32.1 Ų | 32.1 | 22% | 0.215 | 15% | 0.151 | C | C | . | . | trans | -137.7 | 75.3 | -173.4 | -60.2 | 173.7 | 0 | 0 | 0 | 109.7 | L215 G220 I222 I242 K248 A249 | L215-L246 HydrophobicContact CD2-CD1 3.77Å; L215-L246 HydrophobicContact CD2-CG 4.37Å; G220-L246 WeakPolarHBondContact O-CD2 3.2Å; I222-L246 HydrophobicContact CG1-CD1 3.61Å; I242-L246 CarbonylContact O-C 3.59Å; I242-L246 WeakPolarHBondContact O-CA 3.28Å; I242-L246 PolarHBondContact O-N 3.19Å; L246-K248 PolarHBondContact O-N 2.97Å; L246-A249 HydrophobicContact CB-CB 3.95Å; L246-A249 WeakPolarHBondContact O-CB 3.1Å; L246-A249 PolarHBondContact O-N 2.99Å | ||
| 247 | P | 95.6 | Very high | 96.8 | Very high | 93 Ų | 93 | 33.5 Ų | 33.5 | 60% | 0.604 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -23.4 | -173.9 | -26.6 | 34.6 | 0 | 0 | 0 | 115 | K243 | K243-P247 WeakPolarHBondContact O-CA 3.46Š|
| 248 | K | 96.3 | Very high | 96.3 | Very high | 205 Ų | 205 | 34.5 Ų | 34.5 | 89% | 0.891 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -14.1 | 179 | -64.6 | -176.5 | 179.3 | 179.8 | 0 | 114.1 | L246 | L246-K248 PolarHBondContact O-N 2.97Š|
| 249 | A | 97.7 | Very high | 96 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.033 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 140.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I222 D223 I242 K243 L246 | I222-A249 HydrophobicContact CG1-CB 4.46Å; D223-A249 CarbonylContact O-C 3.58Å; D223-A249 WeakPolarHBondContact O-CA 3.48Å; I242-A249 HydrophobicContact CG2-CB 3.63Å; K243-A249 PolarHBondContact NZ-O 3.31Å; L246-A249 HydrophobicContact CB-CB 3.95Å; L246-A249 WeakPolarHBondContact O-CB 3.1Å; L246-A249 PolarHBondContact O-N 2.99Å |
| 250 | I | 98.2 | Very high | 95.7 | Very high | 58 Ų | 58 | 37.5 Ų | 37.5 | 30% | 0.297 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 125.4 | -176.8 | -57.9 | 171.5 | 0 | 0 | 0 | 109.4 | D223 M224 L225 V252 D293 | D223-I250 PolarHBondContact O-N 2.83Å; M224-I250 CarbonylContact C-O 3.58Å; M224-I250 WeakPolarHBondContact CA-O 3.33Å; M224-I250 HydrophobicContact CE-CB 4.38Å; M224-I250 HydrophobicContact CE-CD1 4.2Å; M224-I250 HydrophobicContact CE-CG2 4.39Å; M224-I250 HydrophobicContact CG-CB 4.39Å; L225-I250 PolarHBondContact N-O 2.83Å; I250-V252 HydrophobicContact CG2-CG2 4.04Å; I250-D293 WeakPolarHBondContact CA-OD2 3.41Å; I250-D293 HydrophobicContact CG2-CB 4.11Å |
| 251 | V | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 119.3 | 173.8 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | L225 V235 A291 D293 R294 | L225-V251 HydrophobicContact CD2-CG1 4.22Å; L225-V251 HydrophobicContact CD2-CG2 4.46Å; V235-V251 HydrophobicContact CG2-CG1 3.83Å; V251-A291 VanDerWaalsContact CB-O 3.29Å; V251-A291 WeakPolarHBondContact CB-O 3.28Å; V251-A291 VanDerWaalsContact CG1-O 3.29Å; V251-A291 WeakPolarHBondContact CG1-O 3.23Å; V251-D293 PolarHBondContact N-OD2 2.83Å; V251-D293 PolarHBondContact O-N 3.13Å; V251-R294 PolarHBondContact O-N 3.09Å |
| 252 | V | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.8 | 179.6 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | M224 L225 V226 A227 I250 R294 V296 A350 | M224-V252 HydrophobicContact CG-CG2 4.04Å; M224-V252 HydrophobicContact SD-CG2 4.01Å; L225-V252 PolarHBondContact O-N 2.83Å; V226-V252 WeakPolarHBondContact CA-O 3.46Å; V226-V252 HydrophobicContact CB-CB 4.47Å; V226-V252 HydrophobicContact CG1-CB 4.32Å; V226-V252 HydrophobicContact CG1-CG1 4.37Å; V226-V252 HydrophobicContact CG2-CB 4.1Å; V226-V252 HydrophobicContact CG2-CG2 4.37Å; A227-V252 PolarHBondContact N-O 2.7Å; I250-V252 HydrophobicContact CG2-CG2 4.04Å; V252-R294 WeakPolarHBondContact CA-O 3.39Å; V252-R294 HydrophobicContact CG1-CG 4.39Å; V252-R294 HydrophobicContact CG2-CG 4Å; V252-V296 HydrophobicContact CG1-CB 4.5Å; V252-V296 HydrophobicContact CG1-CG2 3.7Å; V252-A350 HydrophobicContact CG1-CB 4.43Å; V252-A350 HydrophobicContact CG2-CB 4.27Å |
| 253 | G | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 140.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | A227 R294 W295 V296 | A227-G253 WeakPolarHBondContact O-CA 3.4Å; G253-R294 PolarHBondContact N-O 3.05Å; G253-W295 CarbonylContact O-C 3.6Å; G253-W295 VanDerWaalsContact O-CA 3.31Å; G253-W295 WeakPolarHBondContact O-CA 3.24Å; G253-V296 PolarHBondContact O-N 2.85Å |
| 254 | V | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 129.7 | 176.6 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | V226 A227 G228 A229 T298 A342 A346 | V226-V254 HydrophobicContact CG1-CG2 3.62Å; A227-V254 PolarHBondContact O-N 3.47Å; A227-V254 VanDerWaalsContact O-N 3.08Å; G228-V254 CarbonylContact C-O 3.6Å; G228-V254 VanDerWaalsContact CA-O 3.31Å; G228-V254 WeakPolarHBondContact CA-O 3.4Å; A229-V254 PolarHBondContact N-O 3.18Å; V254-T298 HydrophobicContact CG1-CG2 3.47Å; V254-T298 VanDerWaalsContact CG1-CG2 3.47Å; V254-A342 HydrophobicContact CG1-CB 4.36Å; V254-A346 HydrophobicContact CB-CB 4.29Å; V254-A346 HydrophobicContact CG1-CB 3.86Å; V254-A346 HydrophobicContact CG2-CB 3.43Å; V254-A346 VanDerWaalsContact CG2-CB 3.43Å |
| 255 | D | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 133.1 | -174.8 | -174.2 | 48 | 0 | 0 | 0 | 109.5 | S259 L261 A262 W295 V296 K297 T298 | D255-S259 WeakPolarHBondContact OD1-CB 3.38Å; D255-S259 PolarHBondContact OD1-OG 3.08Å; D255-L261 WeakPolarHBondContact OD1-CB 3.34Å; D255-A262 HydrophobicContact CB-CB 3.87Å; D255-A262 PolarHBondContact OD2-N 3.5Å; D255-W295 HydrophobicContact CB-CE3 3.99Å; D255-W295 HydrophobicContact CB-CZ3 4.18Å; D255-V296 PolarHBondContact N-O 2.69Å; D255-K297 HydrophobicContact CB-CD 4.16Å; D255-K297 CarbonylContact O-C 3.57Å; D255-K297 VanDerWaalsContact O-CA 3.25Å; D255-K297 WeakPolarHBondContact O-CA 3.35Å; D255-K297 IonicContact OD2-NZ 3.06Å; D255-K297 PolarHBondContact OD2-NZ 2.82Å; D255-T298 PolarHBondContact O-N 3.28Å; D255-T298 PolarHBondContact O-OG1 3.48Å |
| 256 | P | 92.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 152.1 | 176.8 | 31.5 | -35.9 | 0 | 0 | 0 | 111.3 | S259 Y273 I278 K297 T298 | P256-S259 WeakPolarHBondContact O-CB 3.38Å; P256-S259 PolarHBondContact O-N 3.25Å; P256-Y273 HydrophobicContact CB-CD2 4.18Å; P256-Y273 HydrophobicContact CB-CE2 4.26Å; P256-Y273 HydrophobicContact CB-CG 4.38Å; P256-Y273 HydrophobicContact CG-CD2 4.29Å; P256-Y273 HydrophobicContact CG-CE1 4.3Å; P256-Y273 HydrophobicContact CG-CE2 3.86Å; P256-I278 HydrophobicContact CB-CD1 4.3Å; P256-I278 HydrophobicContact CB-CG1 4.4Å; P256-I278 HydrophobicContact CG-CD1 4.3Å; P256-I278 HydrophobicContact CG-CG1 3.99Å; P256-K297 PolarHBondContact O-NZ 2.91Å; P256-T298 CarbonylContact C-O 3.48Å; P256-T298 WeakPolarHBondContact CA-O 3.49Å |
| 257 | M | 91.2 | Very high | 92.8 | Very high | 29 Ų | 29 | 44.2 Ų | 44.2 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 139.2 | 164.4 | -69.9 | -59.4 | -166.1 | 0 | 0 | 109.9 | V270 Y273 K297 T298 K299 | M257-V270 HydrophobicContact CB-CG2 4.49Å; M257-Y273 VanDerWaalsContact O-CD1 3.29Å; M257-Y273 WeakPolarHBondContact O-CD1 3.38Å; M257-K297 HydrophobicContact CE-CB 3.72Å; M257-K297 HydrophobicContact CE-CG 4.38Å; M257-K297 HydrophobicContact SD-CB 3.84Å; M257-K297 HydrophobicContact SD-CD 4.4Å; M257-K297 WeakPolarHBondContact SD-CE 3.27Å; M257-K297 HydrophobicContact SD-CG 4.19Å; M257-T298 PolarHBondContact N-O 2.93Å; M257-K299 HydrophobicContact CB-CG 4.37Å; M257-K299 HydrophobicContact CG-CG 3.62Å |
| 258 | G | 87.5 | Confident | 91.7 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 24% | 0.237 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -16.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N267 V270 | G258-N267 PolarHBondContact N-OD1 2.86Å; G258-V270 WeakPolarHBondContact CA-O 3.49Å |
| 259 | S | 91.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | trans | -92 | 151.7 | 172.7 | 170.3 | 0 | 0 | 0 | 0 | 112.7 | D255 P256 L261 N267 G279 Y280 K297 | D255-S259 WeakPolarHBondContact OD1-CB 3.38Å; D255-S259 PolarHBondContact OD1-OG 3.08Å; P256-S259 WeakPolarHBondContact O-CB 3.38Å; P256-S259 PolarHBondContact O-N 3.25Å; S259-L261 WeakPolarHBondContact OG-CG 3.41Å; S259-L261 PolarHBondContact OG-N 3.35Å; S259-N267 PolarHBondContact O-ND2 2.82Å; S259-G279 VanDerWaalsContact CB-CA 3.43Å; S259-G279 WeakPolarHBondContact OG-CA 3.4Å; S259-Y280 PolarHBondContact OG-N 2.83Å; S259-Y280 PolarHBondContact OG-O 2.87Å; S259-K297 PolarHBondContact O-NZ 3.07Å | ||
| 260 | I | 93.2 | Very high | 88.7 | Confident | 61 Ų | 61 | 43.7 Ų | 43.7 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | trans | -98.4 | 1.4 | 179.9 | 67.6 | 168.6 | 0 | 0 | 0 | 113.7 | A262 Y280 D281 Y283 | I260-A262 PolarHBondContact O-N 3.25Å; I260-A262 VanDerWaalsContact O-N 3.13Å; I260-Y280 WeakPolarHBondContact CG1-O 3.43Å; I260-Y280 PolarHBondContact N-O 3.3Å; I260-Y280 VanDerWaalsContact N-O 3.1Å; I260-D281 VanDerWaalsContact CD1-O 3.31Å; I260-D281 WeakPolarHBondContact CD1-O 3.47Å; I260-Y283 HydrophobicContact CD1-CD2 4.34Å; I260-Y283 HydrophobicContact CD1-CE1 4.18Å; I260-Y283 HydrophobicContact CD1-CE2 3.83Å; I260-Y283 HydrophobicContact CG1-CE1 4.12Å; I260-Y283 VanDerWaalsContact O-CE1 3.3Å; I260-Y283 WeakPolarHBondContact O-CE1 3.27Å | ||
| 261 | L | 95.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -68.3 | -15.3 | -170.3 | -58.6 | 179.5 | 0 | 0 | 0 | 114.2 | A229 G230 D255 S259 P263 F282 Y283 L287 Y289 W295 | A229-L261 HydrophobicContact CB-CD1 4.03Å; G230-L261 VanDerWaalsContact O-CD1 3.3Å; G230-L261 WeakPolarHBondContact O-CD1 3.37Å; D255-L261 WeakPolarHBondContact OD1-CB 3.34Å; S259-L261 WeakPolarHBondContact OG-CG 3.41Å; S259-L261 PolarHBondContact OG-N 3.35Å; L261-P263 WeakPolarHBondContact O-CD 3.47Å; L261-F282 WeakPolarHBondContact CD2-O 3.43Å; L261-Y283 HydrophobicContact CD2-CD1 4.23Å; L261-L287 HydrophobicContact CB-CD2 4.36Å; L261-L287 HydrophobicContact CD2-CD2 4.05Å; L261-Y289 WeakPolarHBondContact O-CE1 3.44Å; L261-Y289 PolarHBondContact O-OH 3.24Å; L261-W295 HydrophobicContact CB-CH2 4.46Å |
| 262 | A | 95.1 | Very high | 86.2 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -105.8 | 79.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111 | D255 I260 D264 L265 W295 K297 | D255-A262 HydrophobicContact CB-CB 3.87Å; D255-A262 PolarHBondContact OD2-N 3.5Å; I260-A262 PolarHBondContact O-N 3.25Å; I260-A262 VanDerWaalsContact O-N 3.13Å; A262-D264 VanDerWaalsContact C-N 3.28Å; A262-D264 PolarHBondContact O-N 3.13Å; A262-L265 HydrophobicContact CB-CB 4.45Å; A262-L265 HydrophobicContact CB-CD1 4.3Å; A262-L265 PolarHBondContact O-N 3.34Å; A262-W295 HydrophobicContact CB-CB 3.6Å; A262-W295 HydrophobicContact CB-CD2 3.82Å; A262-W295 HydrophobicContact CB-CE3 3.91Å; A262-W295 HydrophobicContact CB-CG 3.7Å; A262-K297 HydrophobicContact CB-CD 4.06Å |
| 263 | P | 85.7 | Confident | 85.4 | Confident | 66 Ų | 66 | 50.6 Ų | 50.6 | 43% | 0.429 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -26 | -165.5 | 25.3 | -36.3 | 0 | 0 | 0 | 114.9 | L261 L265 Y289 | L261-P263 WeakPolarHBondContact O-CD 3.47Å; P263-L265 VanDerWaalsContact C-N 3.34Å; P263-Y289 HydrophobicContact CG-CE1 4.14Å |
| 264 | D | 87.6 | Confident | 84.6 | Confident | 151 Ų | 151 | 50.9 Ų | 50.9 | 81% | 0.807 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 0.4 | -177.3 | -57.8 | -44.3 | 0 | 0 | 0 | 113.5 | A262 | A262-D264 VanDerWaalsContact C-N 3.28Å; A262-D264 PolarHBondContact O-N 3.13Å |
| 265 | L | 90.3 | Very high | 84.1 | Confident | 66 Ų | 66 | 51 Ų | 51 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -111.2 | 142.5 | -179.7 | -64.3 | -178.6 | 0 | 0 | 0 | 110.8 | A262 P263 W295 K297 | A262-L265 HydrophobicContact CB-CB 4.45Å; A262-L265 HydrophobicContact CB-CD1 4.3Å; A262-L265 PolarHBondContact O-N 3.34Å; P263-L265 VanDerWaalsContact C-N 3.34Å; L265-W295 HydrophobicContact CD1-CB 3.73Å; L265-W295 WeakPolarHBondContact CD1-O 3.03Å; L265-K297 HydrophobicContact CB-CD 4.39Å; L265-K297 HydrophobicContact CB-CG 3.83Å; L265-K297 HydrophobicContact CD1-CG 3.86Å |
| 266 | P | 84.5 | Confident | 83.5 | Confident | 102 Ų | 102 | 51.3 Ų | 51.3 | 66% | 0.662 | 29% | 0.294 | S | S | * | . | trans | -61.6 | 144.5 | 177.4 | 27.2 | -34.3 | 0 | 0 | 0 | 110.5 | ||||
| 267 | N | 78.6 | Confident | 83.2 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 33% | 0.332 | 30% | 0.303 | S | S | . | . | trans | -111.1 | 131.2 | 168.9 | -140.7 | 8.5 | 0 | 0 | 0 | 107.2 | G258 S259 K297 | G258-N267 PolarHBondContact N-OD1 2.86Å; S259-N267 PolarHBondContact O-ND2 2.82Å; N267-K297 WeakPolarHBondContact OD1-CE 3.4Å; N267-K297 PolarHBondContact OD1-NZ 3.03Å | ||
| 268 | D | 71.7 | Confident | 83.3 | Confident | 72 Ų | 72 | 51 Ų | 51 | 39% | 0.385 | 30% | 0.297 | S | S | . | . | trans | -68.8 | 165 | 167.9 | -65.1 | -20.7 | 0 | 0 | 0 | 108.7 | V270 K299 | D268-V270 HydrophobicContact CB-CG2 3.87Å; D268-V270 PolarHBondContact O-N 2.98Å; D268-K299 VanDerWaalsContact OD2-CE 3.26Å; D268-K299 WeakPolarHBondContact OD2-CE 3.45Å; D268-K299 IonicContact OD2-NZ 3.37Å; D268-K299 PolarHBondContact OD2-NZ 2.95Å | ||
| 269 | D | 67.4 | Low | 83.5 | Confident | 176 Ų | 176 | 50.2 Ų | 50.2 | 94% | 0.941 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -70.2 | 40.8 | 175.8 | -69.9 | -34 | 0 | 0 | 0 | 112.7 | S271 | D269-S271 PolarHBondContact O-N 2.92Š|
| 270 | V | 64.5 | Low | 83.3 | Confident | 44 Ų | 44 | 51.4 Ų | 51.4 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | trans | -87.6 | 104.6 | -179.5 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | M257 G258 D268 F272 | M257-V270 HydrophobicContact CB-CG2 4.49Å; G258-V270 WeakPolarHBondContact CA-O 3.49Å; D268-V270 HydrophobicContact CB-CG2 3.87Å; D268-V270 PolarHBondContact O-N 2.98Å; V270-F272 WeakPolarHBondContact CG1-O 3.32Å | ||
| 271 | S | 67.3 | Low | 83.1 | Confident | 117 Ų | 117 | 52.4 Ų | 52.4 | 82% | 0.818 | 30% | 0.299 | S | S | * | . | trans | -81.9 | -19.5 | 174.3 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | D269 | D269-S271 PolarHBondContact O-N 2.92Š| ||
| 272 | F | 76.6 | Confident | 82.8 | Confident | 55 Ų | 55 | 52.6 Ų | 52.6 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | trans | -137 | 137.5 | -174.4 | 178.5 | -93.1 | 0 | 0 | 0 | 111.4 | K146 V270 E274 T333 | K146-F272 HydrophobicContact CD-CE2 4.47Å; V270-F272 WeakPolarHBondContact CG1-O 3.32Å; F272-E274 VanDerWaalsContact CE1-CD 3.5Å; F272-E274 HydrophobicContact CE1-CG 4.16Å; F272-E274 WeakPolarHBondContact CE1-OE2 3.38Å; F272-E274 WeakPolarHBondContact CZ-OE2 3.28Å; F272-T333 HydrophobicContact CZ-CG2 4.43Å | ||
| 273 | Y | 80.9 | Confident | 82.8 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 12% | 0.122 | 32% | 0.317 | C | S | . | . | trans | -137.1 | 145.6 | 173.9 | 56.5 | -93 | 0 | 0 | 0 | 110.1 | P256 M257 V275 I278 G279 D300 | P256-Y273 HydrophobicContact CB-CD2 4.18Å; P256-Y273 HydrophobicContact CB-CE2 4.26Å; P256-Y273 HydrophobicContact CB-CG 4.38Å; P256-Y273 HydrophobicContact CG-CD2 4.29Å; P256-Y273 HydrophobicContact CG-CE1 4.3Å; P256-Y273 HydrophobicContact CG-CE2 3.86Å; M257-Y273 VanDerWaalsContact O-CD1 3.29Å; M257-Y273 WeakPolarHBondContact O-CD1 3.38Å; Y273-V275 VanDerWaalsContact CD2-O 3.3Å; Y273-V275 WeakPolarHBondContact CD2-O 3.33Å; Y273-V275 VanDerWaalsContact CE2-O 3.31Å; Y273-V275 WeakPolarHBondContact CE2-O 3.48Å; Y273-I278 WeakPolarHBondContact CE2-O 3.13Å; Y273-I278 PolarHBondContact OH-O 2.83Å; Y273-G279 VanDerWaalsContact OH-C 3.32Å; Y273-G279 WeakPolarHBondContact OH-CA 3.47Å; Y273-G279 PolarHBondContact OH-O 2.95Å; Y273-D300 VanDerWaalsContact CA-OD2 3.31Å; Y273-D300 WeakPolarHBondContact CA-OD2 3.45Å | ||
| 274 | E | 82.2 | Confident | 83.3 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | trans | -78.2 | -35.4 | -176.8 | -63.9 | -67.3 | -158.4 | 0 | 0 | 112.3 | F272 E276 D300 L334 T335 S336 W380 R384 W386 | F272-E274 VanDerWaalsContact CE1-CD 3.5Å; F272-E274 HydrophobicContact CE1-CG 4.16Å; F272-E274 WeakPolarHBondContact CE1-OE2 3.38Å; F272-E274 WeakPolarHBondContact CZ-OE2 3.28Å; E274-E276 PolarHBondContact O-N 3.37Å; E274-D300 HydrophobicContact CB-CB 4.49Å; E274-D300 PolarHBondContact N-OD1 3.17Å; E274-D300 PolarHBondContact N-OD2 3.07Å; E274-L334 PolarHBondContact OE1-N 3.29Å; E274-L334 PolarHBondContact OE2-N 2.67Å; E274-T335 WeakPolarHBondContact OE2-CA 3.09Å; E274-T335 PolarHBondContact OE2-N 3.45Å; E274-S336 CarbonylContact C-O 3.49Å; E274-S336 CarbonylContact O-C 3.45Å; E274-S336 PolarHBondContact O-N 2.79Å; E274-W380 HydrophobicContact CB-CH2 4.09Å; E274-W380 HydrophobicContact CB-CZ2 4.45Å; E274-W380 HydrophobicContact CG-CH2 4.05Å; E274-W380 HydrophobicContact CG-CZ2 4.28Å; E274-R384 IonicContact OE1-CZ 3.35Å; E274-R384 IonicContact OE1-NE 2.56Å; E274-R384 PolarHBondContact OE1-NE 2.89Å; E274-R384 IonicContact OE1-NH2 3.54Å; E274-R384 PolarHBondContact OE1-NH2 3.33Å; E274-W386 HydrophobicContact CB-CH2 3.92Å; E274-W386 HydrophobicContact CB-CZ3 4.36Å; E274-W386 HydrophobicContact CG-CH2 3.51Å; E274-W386 HydrophobicContact CG-CZ2 4.49Å; E274-W386 HydrophobicContact CG-CZ3 4.1Å | ||
| 275 | V | 86.9 | Confident | 83.7 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 118.5 | -175.9 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | Y273 I278 D300 L304 S336 | Y273-V275 VanDerWaalsContact CD2-O 3.3Å; Y273-V275 WeakPolarHBondContact CD2-O 3.33Å; Y273-V275 VanDerWaalsContact CE2-O 3.31Å; Y273-V275 WeakPolarHBondContact CE2-O 3.48Å; V275-I278 HydrophobicContact CG1-CD1 3.84Å; V275-I278 HydrophobicContact CG1-CG1 3.81Å; V275-D300 WeakPolarHBondContact CB-OD1 3.16Å; V275-D300 HydrophobicContact CG2-CB 4.41Å; V275-D300 WeakPolarHBondContact CG2-OD1 3Å; V275-D300 PolarHBondContact N-OD1 2.95Å; V275-L304 HydrophobicContact CG2-CD2 4.16Å; V275-L304 HydrophobicContact CG2-CG 4.21Å; V275-S336 CarbonylContact C-O 3.51Å; V275-S336 WeakPolarHBondContact CA-O 3.33Å |
| 276 | E | 84 | Confident | 84 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 143.5 | -179.5 | -64.6 | -179.5 | -119.9 | 0 | 0 | 113.1 | K151 E274 T335 S336 Y371 K374 | K151-E276 IonicContact NZ-OE2 3.7Å; K151-E276 PolarHBondContact NZ-OE2 3.31Å; E274-E276 PolarHBondContact O-N 3.37Å; E276-T335 HydrophobicContact CG-CG2 3.83Å; E276-T335 WeakPolarHBondContact OE1-CB 3.39Å; E276-S336 WeakPolarHBondContact CG-O 3.36Å; E276-S336 PolarHBondContact N-O 2.62Å; E276-Y371 HydrophobicContact CB-CE1 4.3Å; E276-K374 IonicContact OE1-NZ 3.37Å; E276-K374 PolarHBondContact OE1-NZ 3.19Å |
| 277 | G | 86 | Confident | 84.6 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 96.1 | -5.1 | 165 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 278 | I | 91.8 | Very high | 85.5 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | trans | -126.8 | 158.3 | 173.6 | 57.1 | 172.3 | 0 | 0 | 0 | 110.8 | A229 P256 Y273 V275 A342 | A229-I278 CarbonylContact O-C 3.6Å; A229-I278 WeakPolarHBondContact O-CA 3.43Å; A229-I278 WeakPolarHBondContact O-CB 3.44Å; P256-I278 HydrophobicContact CB-CD1 4.3Å; P256-I278 HydrophobicContact CB-CG1 4.4Å; P256-I278 HydrophobicContact CG-CD1 4.3Å; P256-I278 HydrophobicContact CG-CG1 3.99Å; Y273-I278 WeakPolarHBondContact CE2-O 3.13Å; Y273-I278 PolarHBondContact OH-O 2.83Å; V275-I278 HydrophobicContact CG1-CD1 3.84Å; V275-I278 HydrophobicContact CG1-CG1 3.81Å; I278-A342 HydrophobicContact CD1-CB 3.8Å | ||
| 279 | G | 91.4 | Very high | 86.6 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | trans | 79 | 148.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A229 S259 Y273 | A229-G279 PolarHBondContact O-N 2.78Å; S259-G279 VanDerWaalsContact CB-CA 3.43Å; S259-G279 WeakPolarHBondContact OG-CA 3.4Å; Y273-G279 VanDerWaalsContact OH-C 3.32Å; Y273-G279 WeakPolarHBondContact OH-CA 3.47Å; Y273-G279 PolarHBondContact OH-O 2.95Å | ||
| 280 | Y | 89.2 | Confident | 87.9 | Confident | 28 Ų | 28 | 39 Ų | 39 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | trans | -152.8 | 160.6 | 174 | -83.2 | -77.2 | 0 | 0 | 0 | 111.4 | Y197 G230 S259 I260 F282 P284 | Y197-Y280 AromaticContact CE1-CE1 3.87Å; Y197-Y280 HydrophobicContact CE1-CE1 3.87Å; Y197-Y280 AromaticContact CE1-CE2 3.93Å; Y197-Y280 HydrophobicContact CE1-CE2 3.93Å; Y197-Y280 AromaticContact CE1-CZ 3.49Å; Y197-Y280 VanDerWaalsContact CE1-CZ 3.49Å; Y197-Y280 WeakPolarHBondContact CE1-OH 3.35Å; Y197-Y280 PolarHBondContact OH-OH 2.78Å; G230-Y280 VanDerWaalsContact O-CD2 3.31Å; G230-Y280 WeakPolarHBondContact O-CD2 3.44Å; S259-Y280 PolarHBondContact OG-N 2.83Å; S259-Y280 PolarHBondContact OG-O 2.87Å; I260-Y280 WeakPolarHBondContact CG1-O 3.43Å; I260-Y280 PolarHBondContact N-O 3.3Å; I260-Y280 VanDerWaalsContact N-O 3.1Å; Y280-F282 VanDerWaalsContact C-N 3.35Å; Y280-F282 HydrophobicContact CD1-CD1 4.11Å; Y280-F282 AromaticContact CD1-CE1 3.34Å; Y280-F282 HydrophobicContact CD1-CE1 3.34Å; Y280-F282 AromaticContact CD1-CZ 3.64Å; Y280-F282 HydrophobicContact CD1-CZ 3.64Å; Y280-F282 AromaticContact CE1-CE1 3.92Å; Y280-F282 HydrophobicContact CE1-CE1 3.92Å; Y280-F282 AromaticContact CE1-CZ 3.98Å; Y280-F282 HydrophobicContact CE1-CZ 3.98Å; Y280-F282 HydrophobicContact CG-CE1 4.02Å; Y280-F282 HydrophobicContact CG-CZ 4.08Å; Y280-P284 HydrophobicContact CD2-CG 4.5Å | ||
| 281 | D | 87.3 | Confident | 89.4 | Confident | 81 Ų | 81 | 36.9 Ų | 36.9 | 43% | 0.433 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -90 | 4.3 | 173.6 | 62.1 | -28.1 | 0 | 0 | 0 | 113.2 | I260 | I260-D281 VanDerWaalsContact CD1-O 3.31Å; I260-D281 WeakPolarHBondContact CD1-O 3.47Å |
| 282 | F | 90.9 | Very high | 90.8 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -139.8 | 166.8 | 174.1 | 65.3 | -92.3 | 0 | 0 | 0 | 110.5 | P20 N21 Y171 I178 Y197 L261 Y280 P284 | P20-F282 HydrophobicContact CB-CD2 4.23Å; P20-F282 HydrophobicContact CB-CE2 3.62Å; P20-F282 HydrophobicContact CB-CZ 4.05Å; P20-F282 HydrophobicContact CG-CD2 3.97Å; P20-F282 HydrophobicContact CG-CE1 4.43Å; P20-F282 HydrophobicContact CG-CE2 3.69Å; P20-F282 HydrophobicContact CG-CG 4.47Å; P20-F282 HydrophobicContact CG-CZ 3.94Å; N21-F282 HydrophobicContact CB-CB 4.17Å; N21-F282 HydrophobicContact CB-CD2 4.15Å; Y171-F282 HydrophobicContact CD1-CB 3.99Å; Y171-F282 AromaticContact CD1-CD1 3.95Å; Y171-F282 HydrophobicContact CD1-CD1 3.95Å; Y171-F282 HydrophobicContact CD1-CG 4.37Å; Y171-F282 HydrophobicContact CD2-CD1 4.25Å; Y171-F282 HydrophobicContact CE1-CB 3.96Å; Y171-F282 HydrophobicContact CG-CB 4.36Å; Y171-F282 AromaticContact CG-CD1 3.69Å; Y171-F282 HydrophobicContact CG-CD1 3.69Å; Y171-F282 HydrophobicContact CG-CE1 4.36Å; Y171-F282 HydrophobicContact CG-CG 4.29Å; I178-F282 HydrophobicContact CD1-CE1 4.16Å; I178-F282 HydrophobicContact CD1-CZ 4.26Å; Y197-F282 AromaticContact CD1-CE2 3.87Å; Y197-F282 HydrophobicContact CD1-CE2 3.87Å; Y197-F282 AromaticContact CD1-CZ 3.71Å; Y197-F282 HydrophobicContact CD1-CZ 3.71Å; Y197-F282 HydrophobicContact CE1-CE2 4.32Å; Y197-F282 AromaticContact CE1-CZ 3.7Å; Y197-F282 HydrophobicContact CE1-CZ 3.7Å; Y197-F282 HydrophobicContact CG-CE2 4.33Å; Y197-F282 HydrophobicContact CG-CZ 4.29Å; L261-F282 WeakPolarHBondContact CD2-O 3.43Å; Y280-F282 VanDerWaalsContact C-N 3.35Å; Y280-F282 HydrophobicContact CD1-CD1 4.11Å; Y280-F282 AromaticContact CD1-CE1 3.34Å; Y280-F282 HydrophobicContact CD1-CE1 3.34Å; Y280-F282 AromaticContact CD1-CZ 3.64Å; Y280-F282 HydrophobicContact CD1-CZ 3.64Å; Y280-F282 AromaticContact CE1-CE1 3.92Å; Y280-F282 HydrophobicContact CE1-CE1 3.92Å; Y280-F282 AromaticContact CE1-CZ 3.98Å; Y280-F282 HydrophobicContact CE1-CZ 3.98Å; Y280-F282 HydrophobicContact CG-CE1 4.02Å; Y280-F282 HydrophobicContact CG-CZ 4.08Å; F282-P284 HydrophobicContact CD2-CG 4.28Å; F282-P284 HydrophobicContact CE2-CB 4.24Å; F282-P284 HydrophobicContact CE2-CG 3.87Å; F282-P284 VanDerWaalsContact O-CD 3.32Å; F282-P284 WeakPolarHBondContact O-CD 3.45Å |
| 283 | Y | 94.5 | Very high | 91.8 | Very high | 103 Ų | 103 | 33.4 Ų | 33.4 | 40% | 0.404 | 16% | 0.162 | S | C | . | . | trans | -96.1 | 104.7 | 178.4 | -60.1 | -67.2 | 0 | 0 | 0 | 111.4 | N21 I260 L261 Y289 | N21-Y283 WeakPolarHBondContact CA-O 3.45Å; N21-Y283 WeakPolarHBondContact CB-O 3.34Å; I260-Y283 HydrophobicContact CD1-CD2 4.34Å; I260-Y283 HydrophobicContact CD1-CE1 4.18Å; I260-Y283 HydrophobicContact CD1-CE2 3.83Å; I260-Y283 HydrophobicContact CG1-CE1 4.12Å; I260-Y283 VanDerWaalsContact O-CE1 3.3Å; I260-Y283 WeakPolarHBondContact O-CE1 3.27Å; L261-Y283 HydrophobicContact CD2-CD1 4.23Å; Y283-Y289 HydrophobicContact CD1-CE2 4.23Å; Y283-Y289 AromaticContact CD1-CZ 3.98Å; Y283-Y289 WeakPolarHBondContact CD1-OH 3.29Å; Y283-Y289 WeakPolarHBondContact CE1-OH 3.4Å | ||
| 284 | P | 95.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | trans | -63.2 | 140.3 | -177.9 | -21.1 | 32.9 | 0 | 0 | 0 | 112.3 | P20 Y197 T231 Y280 F282 V286 L287 | P20-P284 CarbonylContact O-C 3.52Å; P20-P284 WeakPolarHBondContact O-CA 3.31Å; Y197-P284 HydrophobicContact CD1-CB 4.35Å; Y197-P284 HydrophobicContact CD1-CG 4.49Å; T231-P284 VanDerWaalsContact O-CB 3.25Å; T231-P284 WeakPolarHBondContact O-CB 3.31Å; Y280-P284 HydrophobicContact CD2-CG 4.5Å; F282-P284 HydrophobicContact CD2-CG 4.28Å; F282-P284 HydrophobicContact CE2-CB 4.24Å; F282-P284 HydrophobicContact CE2-CG 3.87Å; F282-P284 VanDerWaalsContact O-CD 3.32Å; F282-P284 WeakPolarHBondContact O-CD 3.45Å; P284-V286 HydrophobicContact CB-CG2 4.47Å; P284-V286 PolarHBondContact O-N 3.2Å; P284-V286 VanDerWaalsContact O-N 3.15Å; P284-L287 WeakPolarHBondContact O-CB 3.45Å; P284-L287 PolarHBondContact O-N 3.11Å | ||
| 285 | T | 96.2 | Very high | 93.2 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 13% | 0.129 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -34.6 | 178.5 | -57.3 | 0 | 0 | 0 | 0 | 113.2 | P20 E22 A24 Y197 L287 | P20-T285 PolarHBondContact O-N 2.99Å; P20-T285 PolarHBondContact O-OG1 3.07Å; E22-T285 WeakPolarHBondContact O-CB 3.07Å; E22-T285 WeakPolarHBondContact O-CG2 3.45Å; E22-T285 PolarHBondContact O-OG1 3.02Å; A24-T285 HydrophobicContact CB-CG2 4.14Å; A24-T285 WeakPolarHBondContact CB-O 3.14Å; Y197-T285 WeakPolarHBondContact O-CB 3.36Å; Y197-T285 PolarHBondContact O-N 3.27Å; T285-L287 VanDerWaalsContact C-N 3.31Å; T285-L287 PolarHBondContact O-N 3.03Å |
| 286 | V | 96.5 | Very high | 93.6 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 6% | 0.055 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -10.4 | -179.1 | -63.7 | 0 | 0 | 0 | 0 | 114.5 | Y197 N199 T231 T236 P284 D288 | Y197-V286 WeakPolarHBondContact O-CG1 2.93Å; Y197-V286 WeakPolarHBondContact O-CG2 3.11Å; Y197-V286 PolarHBondContact O-N 2.85Å; N199-V286 WeakPolarHBondContact O-CG1 3.3Å; T231-V286 WeakPolarHBondContact O-CG2 3.28Å; T236-V286 WeakPolarHBondContact CG2-O 3.48Å; T236-V286 PolarHBondContact OG1-O 3.26Å; P284-V286 HydrophobicContact CB-CG2 4.47Å; P284-V286 PolarHBondContact O-N 3.2Å; P284-V286 VanDerWaalsContact O-N 3.15Å; V286-D288 PolarHBondContact O-N 2.62Å |
| 287 | L | 97.5 | Very high | 94.2 | Very high | 12 Ų | 12 | 38.6 Ų | 38.6 | 6% | 0.063 | 18% | 0.183 | C | C | . | . | trans | -81.6 | 108.2 | 176.8 | 178.5 | 57 | 0 | 0 | 0 | 110.4 | V235 L261 P284 T285 Y289 W295 | V235-L287 HydrophobicContact CG1-CD1 3.97Å; L261-L287 HydrophobicContact CB-CD2 4.36Å; L261-L287 HydrophobicContact CD2-CD2 4.05Å; P284-L287 WeakPolarHBondContact O-CB 3.45Å; P284-L287 PolarHBondContact O-N 3.11Å; T285-L287 VanDerWaalsContact C-N 3.31Å; T285-L287 PolarHBondContact O-N 3.03Å; L287-Y289 HydrophobicContact CD2-CE1 4.25Å; L287-Y289 HydrophobicContact CD2-CE2 3.83Å; L287-Y289 VanDerWaalsContact CD2-OH 3.3Å; L287-Y289 WeakPolarHBondContact CD2-OH 3.44Å; L287-Y289 HydrophobicContact CG-CD2 4.35Å; L287-Y289 HydrophobicContact CG-CE2 3.91Å; L287-W295 HydrophobicContact CD1-CH2 4.15Å; L287-W295 HydrophobicContact CD1-CZ2 4.33Å; L287-W295 HydrophobicContact CD2-CH2 4.19Å; L287-W295 HydrophobicContact CD2-CZ2 4.48Å | ||
| 288 | D | 96.9 | Very high | 94.5 | Very high | 23 Ų | 23 | 37.8 Ų | 37.8 | 12% | 0.123 | 18% | 0.175 | C | C | . | . | trans | -96.5 | 106.5 | 171.6 | -174.9 | 3.5 | 0 | 0 | 0 | 111.4 | T236 R240 V286 K290 A291 | T236-D288 HydrophobicContact CG2-CB 3.55Å; T236-D288 PolarHBondContact OG1-N 3.19Å; R240-D288 IonicContact CZ-OD2 2.7Å; R240-D288 IonicContact NE-OD2 2.76Å; R240-D288 PolarHBondContact NE-OD2 3.03Å; R240-D288 IonicContact NH2-OD2 3.19Å; R240-D288 PolarHBondContact NH2-OD2 3.01Å; V286-D288 PolarHBondContact O-N 2.62Å; D288-K290 PolarHBondContact O-N 3.46Å; D288-K290 WeakPolarHBondContact OD1-CB 3.34Å; D288-K290 PolarHBondContact OD1-N 3.1Å; D288-A291 HydrophobicContact CB-CB 4.48Å; D288-A291 WeakPolarHBondContact O-CB 3.37Å; D288-A291 PolarHBondContact O-N 3.14Å; D288-A291 VanDerWaalsContact O-N 3.12Å | ||
| 289 | Y | 95.6 | Very high | 94.4 | Very high | 71 Ų | 71 | 42 Ų | 42 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -60.9 | -26.8 | 176.6 | -74.4 | -85 | 0 | 0 | 0 | 113.9 | L261 P263 Y283 L287 A291 V292 W295 | L261-Y289 WeakPolarHBondContact O-CE1 3.44Å; L261-Y289 PolarHBondContact O-OH 3.24Å; P263-Y289 HydrophobicContact CG-CE1 4.14Å; Y283-Y289 HydrophobicContact CD1-CE2 4.23Å; Y283-Y289 AromaticContact CD1-CZ 3.98Å; Y283-Y289 WeakPolarHBondContact CD1-OH 3.29Å; Y283-Y289 WeakPolarHBondContact CE1-OH 3.4Å; L287-Y289 HydrophobicContact CD2-CE1 4.25Å; L287-Y289 HydrophobicContact CD2-CE2 3.83Å; L287-Y289 VanDerWaalsContact CD2-OH 3.3Å; L287-Y289 WeakPolarHBondContact CD2-OH 3.44Å; L287-Y289 HydrophobicContact CG-CD2 4.35Å; L287-Y289 HydrophobicContact CG-CE2 3.91Å; Y289-A291 PolarHBondContact O-N 3.09Å; Y289-V292 PolarHBondContact O-N 3.02Å; Y289-V292 VanDerWaalsContact O-N 3.16Å; Y289-W295 AromaticContact CD1-CZ2 3.97Å; Y289-W295 HydrophobicContact CD1-CZ2 3.97Å; Y289-W295 AromaticContact CD1-NE1 3.94Å; Y289-W295 AromaticContact CE1-CZ2 3.64Å; Y289-W295 HydrophobicContact CE1-CZ2 3.64Å |
| 290 | K | 94.6 | Very high | 94.2 | Very high | 170 Ų | 170 | 43 Ų | 43 | 74% | 0.739 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -70.2 | -14.6 | 177.6 | -60.9 | 178.1 | -178.5 | 175.4 | 0 | 113 | D288 V292 | D288-K290 PolarHBondContact O-N 3.46Å; D288-K290 WeakPolarHBondContact OD1-CB 3.34Å; D288-K290 PolarHBondContact OD1-N 3.1Å; K290-V292 VanDerWaalsContact C-N 3.35Å |
| 291 | A | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -85.9 | -7.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | R240 V251 D288 Y289 | R240-A291 HydrophobicContact CG-CB 3.91Å; V251-A291 VanDerWaalsContact CB-O 3.29Å; V251-A291 WeakPolarHBondContact CB-O 3.28Å; V251-A291 VanDerWaalsContact CG1-O 3.29Å; V251-A291 WeakPolarHBondContact CG1-O 3.23Å; D288-A291 HydrophobicContact CB-CB 4.48Å; D288-A291 WeakPolarHBondContact O-CB 3.37Å; D288-A291 PolarHBondContact O-N 3.14Å; D288-A291 VanDerWaalsContact O-N 3.12Å; Y289-A291 PolarHBondContact O-N 3.09Å |
| 292 | V | 97.1 | Very high | 94.1 | Very high | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | trans | -116 | 125.8 | -176.3 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | V235 Y289 K290 R294 W295 | V235-V292 HydrophobicContact CG1-CG2 4.36Å; V235-V292 HydrophobicContact CG2-CG2 3.83Å; Y289-V292 PolarHBondContact O-N 3.02Å; Y289-V292 VanDerWaalsContact O-N 3.16Å; K290-V292 VanDerWaalsContact C-N 3.35Å; V292-R294 VanDerWaalsContact CG1-O 3.32Å; V292-R294 WeakPolarHBondContact CG1-O 3.13Å; V292-W295 HydrophobicContact CB-CZ2 4.4Å; V292-W295 HydrophobicContact CG1-CD2 4.28Å; V292-W295 HydrophobicContact CG1-CG 4.48Å; V292-W295 HydrophobicContact CG1-CZ2 4.24Å; V292-W295 HydrophobicContact CG2-CZ2 4.15Å | ||
| 293 | D | 96.9 | Very high | 94.1 | Very high | 85 Ų | 85 | 43.8 Ų | 43.8 | 46% | 0.455 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -84.6 | -35.4 | 180 | -62.4 | -72.6 | 0 | 0 | 0 | 112.8 | K243 I250 V251 | K243-D293 VanDerWaalsContact CE-OD1 3.32Å; K243-D293 WeakPolarHBondContact CE-OD1 3.48Å; K243-D293 WeakPolarHBondContact CE-OD2 3.35Å; K243-D293 IonicContact NZ-OD1 3.75Å; K243-D293 PolarHBondContact NZ-OD1 3.17Å; K243-D293 IonicContact NZ-OD2 3.55Å; K243-D293 PolarHBondContact NZ-OD2 3.17Å; I250-D293 WeakPolarHBondContact CA-OD2 3.41Å; I250-D293 HydrophobicContact CG2-CB 4.11Å; V251-D293 PolarHBondContact N-OD2 2.83Å; V251-D293 PolarHBondContact O-N 3.13Å |
| 294 | R | 95.7 | Very high | 93.9 | Very high | 79 Ų | 79 | 38.9 Ų | 38.9 | 30% | 0.298 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 157.3 | 177.3 | 64.6 | 179.6 | -179.5 | -177.6 | -1.6 | 111.9 | V251 V252 G253 V292 A350 D353 | V251-R294 PolarHBondContact O-N 3.09Å; V252-R294 WeakPolarHBondContact CA-O 3.39Å; V252-R294 HydrophobicContact CG1-CG 4.39Å; V252-R294 HydrophobicContact CG2-CG 4Å; G253-R294 PolarHBondContact N-O 3.05Å; V292-R294 VanDerWaalsContact CG1-O 3.32Å; V292-R294 WeakPolarHBondContact CG1-O 3.13Å; R294-A350 PolarHBondContact NH2-O 2.9Å; R294-D353 IonicContact CZ-OD2 2.76Å; R294-D353 IonicContact NH1-OD2 2.69Å; R294-D353 PolarHBondContact NH1-OD2 2.72Å; R294-D353 IonicContact NH2-OD2 2.73Å |
| 295 | W | 97.6 | Very high | 93.5 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 154.8 | 177.2 | -69.9 | 89.8 | 0 | 0 | 0 | 111.5 | A229 G253 D255 L261 A262 L265 L287 Y289 V292 | A229-W295 HydrophobicContact CB-CH2 3.76Å; A229-W295 HydrophobicContact CB-CZ3 3.7Å; G253-W295 CarbonylContact O-C 3.6Å; G253-W295 VanDerWaalsContact O-CA 3.31Å; G253-W295 WeakPolarHBondContact O-CA 3.24Å; D255-W295 HydrophobicContact CB-CE3 3.99Å; D255-W295 HydrophobicContact CB-CZ3 4.18Å; L261-W295 HydrophobicContact CB-CH2 4.46Å; A262-W295 HydrophobicContact CB-CB 3.6Å; A262-W295 HydrophobicContact CB-CD2 3.82Å; A262-W295 HydrophobicContact CB-CE3 3.91Å; A262-W295 HydrophobicContact CB-CG 3.7Å; L265-W295 HydrophobicContact CD1-CB 3.73Å; L265-W295 WeakPolarHBondContact CD1-O 3.03Å; L287-W295 HydrophobicContact CD1-CH2 4.15Å; L287-W295 HydrophobicContact CD1-CZ2 4.33Å; L287-W295 HydrophobicContact CD2-CH2 4.19Å; L287-W295 HydrophobicContact CD2-CZ2 4.48Å; Y289-W295 AromaticContact CD1-CZ2 3.97Å; Y289-W295 HydrophobicContact CD1-CZ2 3.97Å; Y289-W295 AromaticContact CD1-NE1 3.94Å; Y289-W295 AromaticContact CE1-CZ2 3.64Å; Y289-W295 HydrophobicContact CE1-CZ2 3.64Å; V292-W295 HydrophobicContact CB-CZ2 4.4Å; V292-W295 HydrophobicContact CG1-CD2 4.28Å; V292-W295 HydrophobicContact CG1-CG 4.48Å; V292-W295 HydrophobicContact CG1-CZ2 4.24Å; V292-W295 HydrophobicContact CG2-CZ2 4.15Å |
| 296 | V | 96.2 | Very high | 93.2 | Very high | 22 Ų | 22 | 40.3 Ų | 40.3 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 124.8 | 170.3 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | V252 G253 D255 T298 W345 A346 | V252-V296 HydrophobicContact CG1-CB 4.5Å; V252-V296 HydrophobicContact CG1-CG2 3.7Å; G253-V296 PolarHBondContact O-N 2.85Å; D255-V296 PolarHBondContact N-O 2.69Å; V296-T298 HydrophobicContact CG1-CG2 4.48Å; V296-W345 HydrophobicContact CG1-CE3 4.46Å; V296-W345 HydrophobicContact CG1-CZ3 3.93Å; V296-A346 HydrophobicContact CB-CB 3.91Å; V296-A346 HydrophobicContact CG1-CB 3.7Å; V296-A346 HydrophobicContact CG2-CB 4.39Å |
| 297 | K | 94.9 | Very high | 92.9 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 10% | 0.096 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 140.3 | 171.8 | -65 | -68.9 | -79.3 | -178 | 0 | 110.8 | D255 P256 M257 S259 A262 L265 N267 | D255-K297 HydrophobicContact CB-CD 4.16Å; D255-K297 CarbonylContact O-C 3.57Å; D255-K297 VanDerWaalsContact O-CA 3.25Å; D255-K297 WeakPolarHBondContact O-CA 3.35Å; D255-K297 IonicContact OD2-NZ 3.06Å; D255-K297 PolarHBondContact OD2-NZ 2.82Å; P256-K297 PolarHBondContact O-NZ 2.91Å; M257-K297 HydrophobicContact CE-CB 3.72Å; M257-K297 HydrophobicContact CE-CG 4.38Å; M257-K297 HydrophobicContact SD-CB 3.84Å; M257-K297 HydrophobicContact SD-CD 4.4Å; M257-K297 WeakPolarHBondContact SD-CE 3.27Å; M257-K297 HydrophobicContact SD-CG 4.19Å; S259-K297 PolarHBondContact O-NZ 3.07Å; A262-K297 HydrophobicContact CB-CD 4.06Å; L265-K297 HydrophobicContact CB-CD 4.39Å; L265-K297 HydrophobicContact CB-CG 3.83Å; L265-K297 HydrophobicContact CD1-CG 3.86Å; N267-K297 WeakPolarHBondContact OD1-CE 3.4Å; N267-K297 PolarHBondContact OD1-NZ 3.03Å |
| 298 | T | 92.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.5 | -178.7 | 53.6 | 0 | 0 | 0 | 0 | 111.5 | V254 D255 P256 M257 V296 A342 W345 A346 | V254-T298 HydrophobicContact CG1-CG2 3.47Å; V254-T298 VanDerWaalsContact CG1-CG2 3.47Å; D255-T298 PolarHBondContact O-N 3.28Å; D255-T298 PolarHBondContact O-OG1 3.48Å; P256-T298 CarbonylContact C-O 3.48Å; P256-T298 WeakPolarHBondContact CA-O 3.49Å; M257-T298 PolarHBondContact N-O 2.93Å; V296-T298 HydrophobicContact CG1-CG2 4.48Å; T298-A342 HydrophobicContact CG2-CB 4.27Å; T298-W345 HydrophobicContact CG2-CE3 3.81Å; T298-W345 HydrophobicContact CG2-CZ3 4.16Å; T298-A346 HydrophobicContact CG2-CB 4.35Å |
| 299 | K | 89.9 | Confident | 92 | Very high | 95 Ų | 95 | 39 Ų | 39 | 41% | 0.413 | 18% | 0.178 | S | C | . | . | trans | -105.7 | 155.3 | 174.6 | -72.4 | -176.8 | -176.9 | -157.1 | 0 | 109.4 | M257 D268 R301 E302 S303 | M257-K299 HydrophobicContact CB-CG 4.37Å; M257-K299 HydrophobicContact CG-CG 3.62Å; D268-K299 VanDerWaalsContact OD2-CE 3.26Å; D268-K299 WeakPolarHBondContact OD2-CE 3.45Å; D268-K299 IonicContact OD2-NZ 3.37Å; D268-K299 PolarHBondContact OD2-NZ 2.95Å; K299-R301 PolarHBondContact O-N 3.41Å; K299-E302 WeakPolarHBondContact CB-OE2 3.29Å; K299-S303 WeakPolarHBondContact O-CB 3.25Å; K299-S303 PolarHBondContact O-N 3.45Å; K299-S303 VanDerWaalsContact O-N 3.08Å; K299-S303 PolarHBondContact O-OG 2.73Å | ||
| 300 | D | 86.8 | Confident | 91.7 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 13% | 0.128 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.9 | -47.8 | -175.3 | -71.8 | -35.2 | 0 | 0 | 0 | 112.1 | Y273 E274 V275 E302 S303 L304 W386 | Y273-D300 VanDerWaalsContact CA-OD2 3.31Å; Y273-D300 WeakPolarHBondContact CA-OD2 3.45Å; E274-D300 HydrophobicContact CB-CB 4.49Å; E274-D300 PolarHBondContact N-OD1 3.17Å; E274-D300 PolarHBondContact N-OD2 3.07Å; V275-D300 WeakPolarHBondContact CB-OD1 3.16Å; V275-D300 HydrophobicContact CG2-CB 4.41Å; V275-D300 WeakPolarHBondContact CG2-OD1 3Å; V275-D300 PolarHBondContact N-OD1 2.95Å; D300-E302 PolarHBondContact O-N 2.94Å; D300-S303 WeakPolarHBondContact O-CB 3.36Å; D300-S303 PolarHBondContact O-N 3.14Å; D300-S303 VanDerWaalsContact O-N 3.16Å; D300-L304 HydrophobicContact CB-CD1 4.29Å; D300-L304 WeakPolarHBondContact O-CB 3.07Å; D300-L304 WeakPolarHBondContact O-CG 3.31Å; D300-L304 PolarHBondContact O-N 3.46Å; D300-W386 HydrophobicContact CB-CH2 3.35Å; D300-W386 HydrophobicContact CB-CZ2 3.56Å; D300-W386 HydrophobicContact CB-CZ3 4.25Å |
| 301 | R | 86.6 | Confident | 91.4 | Very high | 76 Ų | 76 | 28.1 Ų | 28.1 | 29% | 0.287 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -54.7 | -53.2 | -177.1 | -176.3 | 178.6 | 178.2 | -78.8 | -4.7 | 111.8 | K299 S303 L304 L305 W386 | K299-R301 PolarHBondContact O-N 3.41Å; R301-S303 VanDerWaalsContact C-N 3.33Å; R301-S303 PolarHBondContact O-N 2.78Å; R301-L304 PolarHBondContact O-N 2.68Å; R301-L305 HydrophobicContact CG-CD1 3.86Å; R301-L305 HydrophobicContact CG-CG 4.49Å; R301-L305 VanDerWaalsContact O-CB 3.26Å; R301-L305 WeakPolarHBondContact O-CB 3.3Å; R301-L305 WeakPolarHBondContact O-CG 3.45Å; R301-L305 PolarHBondContact O-N 2.73Å; R301-W386 HydrophobicContact CB-CD2 4.39Å; R301-W386 HydrophobicContact CB-CG 4.22Å; R301-W386 HydrophobicContact CG-CB 4.43Å; R301-W386 HydrophobicContact CG-CG 4.01Å |
| 302 | E | 88.8 | Confident | 90.8 | Very high | 54 Ų | 54 | 33.1 Ų | 33.1 | 25% | 0.252 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.7 | -42 | 179.5 | -73.9 | 68.1 | -153 | 0 | 0 | 111.5 | K299 D300 T306 W345 | K299-E302 WeakPolarHBondContact CB-OE2 3.29Å; D300-E302 PolarHBondContact O-N 2.94Å; E302-T306 VanDerWaalsContact O-CB 3.25Å; E302-T306 WeakPolarHBondContact O-CB 3.42Å; E302-T306 PolarHBondContact O-N 2.9Å; E302-T306 PolarHBondContact O-OG1 2.81Å; E302-W345 HydrophobicContact CB-CD2 4.21Å; E302-W345 HydrophobicContact CB-CG 4.14Å; E302-W345 HydrophobicContact CB-CZ2 4.48Å; E302-W345 HydrophobicContact CG-CZ2 4.14Å |
| 303 | S | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.6 | -51.4 | 179.7 | -59.9 | 0 | 0 | 0 | 0 | 110.6 | K299 D300 R301 T306 A307 G341 A342 | K299-S303 WeakPolarHBondContact O-CB 3.25Å; K299-S303 PolarHBondContact O-N 3.45Å; K299-S303 VanDerWaalsContact O-N 3.08Å; K299-S303 PolarHBondContact O-OG 2.73Å; D300-S303 WeakPolarHBondContact O-CB 3.36Å; D300-S303 PolarHBondContact O-N 3.14Å; D300-S303 VanDerWaalsContact O-N 3.16Å; R301-S303 VanDerWaalsContact C-N 3.33Å; R301-S303 PolarHBondContact O-N 2.78Å; S303-T306 PolarHBondContact O-N 3.43Å; S303-A307 PolarHBondContact O-N 2.87Å; S303-G341 CarbonylContact O-C 3.52Å; S303-G341 VanDerWaalsContact O-CA 3.25Å; S303-G341 WeakPolarHBondContact O-CA 3.49Å; S303-A342 WeakPolarHBondContact OG-CA 3.24Å; S303-A342 WeakPolarHBondContact OG-CB 3.38Å |
| 304 | L | 89.1 | Confident | 90.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.8 | -43.3 | -175.7 | -61.8 | 169.3 | 0 | 0 | 0 | 111.2 | V275 D300 R301 T306 A307 L308 S336 G337 F375 W380 M381 W386 | V275-L304 HydrophobicContact CG2-CD2 4.16Å; V275-L304 HydrophobicContact CG2-CG 4.21Å; D300-L304 HydrophobicContact CB-CD1 4.29Å; D300-L304 WeakPolarHBondContact O-CB 3.07Å; D300-L304 WeakPolarHBondContact O-CG 3.31Å; D300-L304 PolarHBondContact O-N 3.46Å; R301-L304 PolarHBondContact O-N 2.68Å; L304-T306 PolarHBondContact O-N 3.28Å; L304-A307 WeakPolarHBondContact O-CB 3.38Å; L304-A307 PolarHBondContact O-N 2.78Å; L304-L308 VanDerWaalsContact O-CB 3.26Å; L304-L308 WeakPolarHBondContact O-CB 3.3Å; L304-L308 WeakPolarHBondContact O-CG 3.2Å; L304-L308 PolarHBondContact O-N 2.96Å; L304-S336 VanDerWaalsContact CD1-OG 3.23Å; L304-S336 WeakPolarHBondContact CD1-OG 3.39Å; L304-S336 VanDerWaalsContact CD2-OG 3.3Å; L304-S336 WeakPolarHBondContact CD2-OG 3.23Å; L304-G337 WeakPolarHBondContact CD2-O 3.5Å; L304-F375 HydrophobicContact CB-CB 4.49Å; L304-F375 HydrophobicContact CD1-CB 4.46Å; L304-F375 HydrophobicContact CD2-CB 3.85Å; L304-F375 HydrophobicContact CD2-CD1 4.36Å; L304-F375 HydrophobicContact CD2-CD2 4.26Å; L304-F375 HydrophobicContact CD2-CG 3.93Å; L304-F375 HydrophobicContact CG-CB 4.49Å; L304-W380 HydrophobicContact CD1-CH2 4.21Å; L304-W380 HydrophobicContact CD1-CZ3 4.15Å; L304-M381 HydrophobicContact CB-CE 4.29Å; L304-M381 HydrophobicContact CB-SD 4.43Å; L304-W386 HydrophobicContact CD1-CE3 3.62Å; L304-W386 HydrophobicContact CD1-CH2 3.78Å; L304-W386 HydrophobicContact CD1-CZ3 3.05Å; L304-W386 HydrophobicContact CG-CZ3 4.48Å |
| 305 | L | 86.8 | Confident | 89.8 | Confident | 41 Ų | 41 | 32.3 Ų | 32.3 | 22% | 0.215 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.8 | -32.1 | 172.6 | -69.5 | 176.2 | 0 | 0 | 0 | 112.6 | R301 L308 A309 M381 L387 | R301-L305 HydrophobicContact CG-CD1 3.86Å; R301-L305 HydrophobicContact CG-CG 4.49Å; R301-L305 VanDerWaalsContact O-CB 3.26Å; R301-L305 WeakPolarHBondContact O-CB 3.3Å; R301-L305 WeakPolarHBondContact O-CG 3.45Å; R301-L305 PolarHBondContact O-N 2.73Å; L305-L308 HydrophobicContact CD2-CD1 4.24Å; L305-L308 WeakPolarHBondContact O-CB 3.12Å; L305-A309 WeakPolarHBondContact O-CB 3.36Å; L305-A309 PolarHBondContact O-N 2.81Å; L305-M381 HydrophobicContact CD2-CE 4.29Å; L305-L387 HydrophobicContact CD2-CD2 3.96Å |
| 306 | T | 90.2 | Very high | 89.5 | Confident | 14 Ų | 14 | 31.2 Ų | 31.2 | 9% | 0.086 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -76.4 | -39.5 | 175.7 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | E302 S303 L304 L308 A309 L310 M344 W345 L348 | E302-T306 VanDerWaalsContact O-CB 3.25Å; E302-T306 WeakPolarHBondContact O-CB 3.42Å; E302-T306 PolarHBondContact O-N 2.9Å; E302-T306 PolarHBondContact O-OG1 2.81Å; S303-T306 PolarHBondContact O-N 3.43Å; L304-T306 PolarHBondContact O-N 3.28Å; T306-L308 VanDerWaalsContact C-N 3.27Å; T306-L308 PolarHBondContact O-N 3.14Å; T306-A309 PolarHBondContact O-N 3.34Å; T306-A309 VanDerWaalsContact O-N 3.12Å; T306-L310 PolarHBondContact O-N 3.48Å; T306-M344 HydrophobicContact CG2-CB 3.82Å; T306-M344 HydrophobicContact CG2-CG 3.75Å; T306-W345 HydrophobicContact CG2-CB 4.1Å; T306-L348 HydrophobicContact CG2-CD1 4.39Å |
| 307 | A | 91 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.6 | -50.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | S303 L304 A309 L310 I311 F375 | S303-A307 PolarHBondContact O-N 2.87Å; L304-A307 WeakPolarHBondContact O-CB 3.38Å; L304-A307 PolarHBondContact O-N 2.78Å; A307-A309 VanDerWaalsContact C-N 3.29Å; A307-A309 PolarHBondContact O-N 3.31Å; A307-L310 WeakPolarHBondContact O-CB 3.22Å; A307-L310 PolarHBondContact O-N 3.38Å; A307-L310 VanDerWaalsContact O-N 3.11Å; A307-I311 WeakPolarHBondContact O-CD1 3.42Å; A307-I311 WeakPolarHBondContact O-CG1 3.33Å; A307-I311 PolarHBondContact O-N 2.99Å; A307-F375 HydrophobicContact CB-CD2 4.49Å; A307-F375 HydrophobicContact CB-CE2 3.69Å; A307-F375 HydrophobicContact CB-CZ 4.2Å |
| 308 | L | 86.6 | Confident | 87.9 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -53.7 | -41.6 | 174.1 | -73.1 | 178.4 | 0 | 0 | 0 | 113.2 | L304 L305 T306 R312 L320 Y321 F375 M381 | L304-L308 VanDerWaalsContact O-CB 3.26Å; L304-L308 WeakPolarHBondContact O-CB 3.3Å; L304-L308 WeakPolarHBondContact O-CG 3.2Å; L304-L308 PolarHBondContact O-N 2.96Å; L305-L308 HydrophobicContact CD2-CD1 4.24Å; L305-L308 WeakPolarHBondContact O-CB 3.12Å; T306-L308 VanDerWaalsContact C-N 3.27Å; T306-L308 PolarHBondContact O-N 3.14Å; L308-R312 PolarHBondContact O-N 3.24Å; L308-L320 WeakPolarHBondContact CD2-O 3.47Å; L308-Y321 VanDerWaalsContact CB-CB 3.44Å; L308-Y321 HydrophobicContact CB-CD1 4.19Å; L308-Y321 HydrophobicContact CB-CD2 3.69Å; L308-Y321 HydrophobicContact CB-CE2 4.44Å; L308-Y321 HydrophobicContact CB-CG 3.52Å; L308-Y321 HydrophobicContact CD1-CD2 3.57Å; L308-Y321 HydrophobicContact CD1-CE2 4.03Å; L308-Y321 HydrophobicContact CD1-CG 4.3Å; L308-Y321 VanDerWaalsContact CD2-CB 3.42Å; L308-Y321 HydrophobicContact CD2-CD2 3.81Å; L308-Y321 HydrophobicContact CD2-CG 4Å; L308-Y321 HydrophobicContact CG-CD2 3.85Å; L308-Y321 HydrophobicContact CG-CG 4.1Å; L308-Y321 WeakPolarHBondContact O-CB 3.34Å; L308-F375 HydrophobicContact CD2-CD2 3.69Å; L308-F375 HydrophobicContact CD2-CE2 4.05Å; L308-F375 HydrophobicContact CG-CD2 3.97Å; L308-F375 HydrophobicContact CG-CE2 4.38Å; L308-M381 HydrophobicContact CD1-CE 3.59Å; L308-M381 HydrophobicContact CD1-SD 4.29Å |
| 309 | A | 87.2 | Confident | 85.6 | Confident | 16 Ų | 16 | 33.5 Ų | 33.5 | 13% | 0.132 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.5 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L69 L305 T306 A307 I311 R312 K313 | L69-A309 HydrophobicContact CD2-CB 3.88Å; L305-A309 WeakPolarHBondContact O-CB 3.36Å; L305-A309 PolarHBondContact O-N 2.81Å; T306-A309 PolarHBondContact O-N 3.34Å; T306-A309 VanDerWaalsContact O-N 3.12Å; A307-A309 VanDerWaalsContact C-N 3.29Å; A307-A309 PolarHBondContact O-N 3.31Å; A309-I311 VanDerWaalsContact C-N 3.26Å; A309-I311 PolarHBondContact O-N 3.38Å; A309-R312 PolarHBondContact O-N 3.19Å; A309-K313 VanDerWaalsContact O-CB 3.24Å; A309-K313 WeakPolarHBondContact O-CB 3.47Å; A309-K313 WeakPolarHBondContact O-CG 3.49Å; A309-K313 PolarHBondContact O-N 3.37Å |
| 310 | L | 89.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56 | -43 | 175.9 | -81.8 | 163.5 | 0 | 0 | 0 | 111.3 | I66 L69 T306 A307 E314 G315 I316 C318 M344 L364 | I66-L310 HydrophobicContact CD1-CD2 3.97Å; L69-L310 HydrophobicContact CD1-CB 4.45Å; L69-L310 HydrophobicContact CD1-CD2 3.68Å; L69-L310 HydrophobicContact CD1-CG 3.87Å; T306-L310 PolarHBondContact O-N 3.48Å; A307-L310 WeakPolarHBondContact O-CB 3.22Å; A307-L310 PolarHBondContact O-N 3.38Å; A307-L310 VanDerWaalsContact O-N 3.11Å; L310-E314 HydrophobicContact CD2-CG 4.48Å; L310-E314 WeakPolarHBondContact O-CA 3.29Å; L310-E314 VanDerWaalsContact O-CB 3.22Å; L310-E314 WeakPolarHBondContact O-CB 3.29Å; L310-E314 PolarHBondContact O-N 2.85Å; L310-G315 PolarHBondContact O-N 3.03Å; L310-I316 HydrophobicContact CD2-CD1 4.42Å; L310-C318 WeakPolarHBondContact CD1-SG 3.41Å; L310-M344 HydrophobicContact CD1-CB 3.74Å; L310-M344 HydrophobicContact CD1-CG 3.86Å; L310-M344 HydrophobicContact CD2-CE 4.2Å; L310-M344 HydrophobicContact CD2-CG 3.94Å; L310-M344 HydrophobicContact CD2-SD 4.07Å; L310-M344 HydrophobicContact CG-CB 4.42Å; L310-M344 HydrophobicContact CG-CG 3.99Å; L310-L364 HydrophobicContact CD1-CD2 4.3Å |
| 311 | I | 88.5 | Confident | 80.1 | Confident | 12 Ų | 12 | 34 Ų | 34 | 6% | 0.062 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -75.8 | -46.5 | -174.5 | -42.3 | 116.8 | 0 | 0 | 0 | 110.4 | A307 A309 K313 G315 I316 L317 G319 L320 | A307-I311 WeakPolarHBondContact O-CD1 3.42Å; A307-I311 WeakPolarHBondContact O-CG1 3.33Å; A307-I311 PolarHBondContact O-N 2.99Å; A309-I311 VanDerWaalsContact C-N 3.26Å; A309-I311 PolarHBondContact O-N 3.38Å; I311-K313 VanDerWaalsContact C-N 3.29Å; I311-K313 PolarHBondContact O-N 3.48Å; I311-G315 VanDerWaalsContact O-CA 3.25Å; I311-G315 WeakPolarHBondContact O-CA 3.32Å; I311-G315 PolarHBondContact O-N 2.94Å; I311-I316 VanDerWaalsContact CA-O 3.29Å; I311-I316 WeakPolarHBondContact CA-O 3.39Å; I311-I316 WeakPolarHBondContact CB-O 3.31Å; I311-I316 WeakPolarHBondContact CG1-O 3.48Å; I311-L317 HydrophobicContact CG2-CD2 3.6Å; I311-L317 HydrophobicContact CG2-CG 4.44Å; I311-G319 WeakPolarHBondContact CD1-O 3.23Å; I311-G319 WeakPolarHBondContact CG1-O 3.46Å; I311-L320 HydrophobicContact CB-CB 4.17Å; I311-L320 HydrophobicContact CD1-CB 3.95Å; I311-L320 HydrophobicContact CG1-CB 4.25Å; I311-L320 HydrophobicContact CG2-CB 3.78Å; I311-L320 HydrophobicContact CG2-CD1 3.85Å; I311-L320 HydrophobicContact CG2-CG 4.42Å |
| 312 | R | 84.3 | Confident | 77.4 | Confident | 105 Ų | 105 | 35.6 Ų | 35.6 | 40% | 0.396 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.1 | -39.2 | -178 | -177.7 | 174.3 | -173.5 | 84.5 | 2.7 | 111.7 | L308 A309 Y321 H322 | L308-R312 PolarHBondContact O-N 3.24Å; A309-R312 PolarHBondContact O-N 3.19Å; R312-Y321 HydrophobicContact CB-CD1 4.08Å; R312-Y321 HydrophobicContact CG-CD1 4.43Å; R312-H322 PolarHBondContact NH1-CD2 3.45Å; R312-H322 PolarHBondContact NH1-CE1 2.93Å; R312-H322 PolarHBondContact NH1-NE2 3.46Å |
| 313 | K | 89 | Confident | 74.7 | Confident | 67 Ų | 67 | 41.8 Ų | 41.8 | 29% | 0.291 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -97.5 | -33.2 | -170.5 | -62 | -177.9 | -179.5 | -178.6 | 0 | 112.9 | R68 L69 E72 A309 I311 | R68-K313 HydrophobicContact CB-CB 4.31Å; R68-K313 VanDerWaalsContact CD-O 3.31Å; R68-K313 WeakPolarHBondContact CD-O 3.19Å; R68-K313 PolarHBondContact NH1-O 3.46Å; L69-K313 HydrophobicContact CD2-CD 3.66Å; L69-K313 HydrophobicContact CG-CB 4.42Å; L69-K313 HydrophobicContact CG-CD 4.27Å; E72-K313 IonicContact OE1-NZ 3.33Å; E72-K313 PolarHBondContact OE1-NZ 3.45Å; E72-K313 WeakPolarHBondContact OE2-CD 3.33Å; E72-K313 IonicContact OE2-NZ 2.77Å; E72-K313 PolarHBondContact OE2-NZ 2.82Å; A309-K313 VanDerWaalsContact O-CB 3.24Å; A309-K313 WeakPolarHBondContact O-CB 3.47Å; A309-K313 WeakPolarHBondContact O-CG 3.49Å; A309-K313 PolarHBondContact O-N 3.37Å; I311-K313 VanDerWaalsContact C-N 3.29Å; I311-K313 PolarHBondContact O-N 3.48Å |
| 314 | E | 91.2 | Very high | 72 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -112.8 | -6 | -175.3 | -48.9 | -67.5 | 166.8 | 0 | 0 | 113 | I66 N67 R68 L69 L310 I316 | I66-E314 HydrophobicContact CD1-CB 4.44Å; I66-E314 HydrophobicContact CD1-CG 3.99Å; I66-E314 HydrophobicContact CG2-CG 4.23Å; I66-E314 WeakPolarHBondContact CG2-OE1 3.29Å; N67-E314 PolarHBondContact N-OE1 3.03Å; N67-E314 PolarHBondContact N-OE2 3.39Å; R68-E314 VanDerWaalsContact CA-OE1 3.31Å; R68-E314 WeakPolarHBondContact CA-OE1 3.33Å; R68-E314 WeakPolarHBondContact CB-OE1 3.41Å; R68-E314 PolarHBondContact N-OE1 2.87Å; L69-E314 HydrophobicContact CD1-CG 4.16Å; L69-E314 HydrophobicContact CG-CG 4.37Å; L69-E314 PolarHBondContact N-OE1 3.47Å; L310-E314 HydrophobicContact CD2-CG 4.48Å; L310-E314 WeakPolarHBondContact O-CA 3.29Å; L310-E314 VanDerWaalsContact O-CB 3.22Å; L310-E314 WeakPolarHBondContact O-CB 3.29Å; L310-E314 PolarHBondContact O-N 2.85Å; E314-I316 HydrophobicContact CB-CB 4.4Å; E314-I316 HydrophobicContact CB-CD1 3.7Å; E314-I316 HydrophobicContact CB-CG1 3.76Å; E314-I316 HydrophobicContact CG-CD1 4.49Å; E314-I316 PolarHBondContact O-N 3.22Å |
| 315 | G | 88.1 | Confident | 69.3 | Low | 59 Ų | 59 | 50.1 Ų | 50.1 | 61% | 0.608 | 25% | 0.248 | S | C | * | . | trans | 68.8 | 18.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L310 I311 | L310-G315 PolarHBondContact O-N 3.03Å; I311-G315 VanDerWaalsContact O-CA 3.25Å; I311-G315 WeakPolarHBondContact O-CA 3.32Å; I311-G315 PolarHBondContact O-N 2.94Å | ||
| 316 | I | 90.4 | Very high | 66.9 | Low | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | trans | -91.6 | 107.4 | -176.5 | -65.7 | 179.7 | 0 | 0 | 0 | 108 | I66 V81 Y85 L310 I311 E314 C318 L364 | I66-I316 HydrophobicContact CD1-CD1 3.53Å; V81-I316 HydrophobicContact CG2-CD1 3.78Å; Y85-I316 HydrophobicContact CE1-CG2 3.94Å; Y85-I316 VanDerWaalsContact OH-CG2 3.23Å; Y85-I316 WeakPolarHBondContact OH-CG2 3.22Å; L310-I316 HydrophobicContact CD2-CD1 4.42Å; I311-I316 VanDerWaalsContact CA-O 3.29Å; I311-I316 WeakPolarHBondContact CA-O 3.39Å; I311-I316 WeakPolarHBondContact CB-O 3.31Å; I311-I316 WeakPolarHBondContact CG1-O 3.48Å; E314-I316 HydrophobicContact CB-CB 4.4Å; E314-I316 HydrophobicContact CB-CD1 3.7Å; E314-I316 HydrophobicContact CB-CG1 3.76Å; E314-I316 HydrophobicContact CG-CD1 4.49Å; E314-I316 PolarHBondContact O-N 3.22Å; I316-C318 HydrophobicContact CG2-CB 4.12Å; I316-C318 WeakPolarHBondContact CG2-SG 3.42Å; I316-C318 PolarHBondContact O-N 3.2Å; I316-L364 HydrophobicContact CG2-CD1 3.64Å | ||
| 317 | L | 88.2 | Confident | 64.4 | Low | 91 Ų | 91 | 60.1 Ų | 60.1 | 48% | 0.476 | 29% | 0.29 | S | S | . | . | trans | -76.4 | 61 | -179.2 | -68.1 | 171.6 | 0 | 0 | 0 | 111.7 | I311 L320 V368 | I311-L317 HydrophobicContact CG2-CD2 3.6Å; I311-L317 HydrophobicContact CG2-CG 4.44Å; L317-L320 HydrophobicContact CD2-CD1 4.23Å; L317-V368 HydrophobicContact CB-CG1 3.69Å; L317-V368 HydrophobicContact CD2-CG1 4.22Å; L317-V368 WeakPolarHBondContact O-CG1 3.3Å; L317-V368 PolarHBondContact O-N 3Å | ||
| 318 | C | 68.9 | Low | 61.7 | Low | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.034 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -109.2 | 33 | 165.4 | 65 | 0 | 0 | 0 | 0 | 110.4 | Y85 L310 I316 | Y85-C318 HydrophobicContact CD1-CB 4.26Å; Y85-C318 HydrophobicContact CE1-CB 4.18Å; L310-C318 WeakPolarHBondContact CD1-SG 3.41Å; I316-C318 HydrophobicContact CG2-CB 4.12Å; I316-C318 WeakPolarHBondContact CG2-SG 3.42Å; I316-C318 PolarHBondContact O-N 3.2Å |
| 319 | G | 46.3 | Very low | 59.2 | Low | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | S | Bend | trans | 160.7 | -164 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I311 V368 | I311-G319 WeakPolarHBondContact CD1-O 3.23Å; I311-G319 WeakPolarHBondContact CG1-O 3.46Å; G319-V368 VanDerWaalsContact N-CG1 3.34Å; G319-V368 WeakPolarHBondContact O-CG1 3.49Å |
| 320 | L | 28.5 | Very low | 56.9 | Low | 83 Ų | 83 | 81.2 Ų | 81.2 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | trans | -143.8 | 110.2 | 178.7 | 174.8 | 173.6 | 0 | 0 | 0 | 114.4 | L308 I311 L317 L376 | L308-L320 WeakPolarHBondContact CD2-O 3.47Å; I311-L320 HydrophobicContact CB-CB 4.17Å; I311-L320 HydrophobicContact CD1-CB 3.95Å; I311-L320 HydrophobicContact CG1-CB 4.25Å; I311-L320 HydrophobicContact CG2-CB 3.78Å; I311-L320 HydrophobicContact CG2-CD1 3.85Å; I311-L320 HydrophobicContact CG2-CG 4.42Å; L317-L320 HydrophobicContact CD2-CD1 4.23Å; L320-L376 HydrophobicContact CB-CD2 3.74Å; L320-L376 HydrophobicContact CB-CG 4.46Å; L320-L376 HydrophobicContact CD2-CD2 3.76Å; L320-L376 HydrophobicContact CG-CD2 4.35Å; L320-L376 WeakPolarHBondContact O-CA 3.32Å | ||
| 321 | Y | 32.6 | Very low | 54.1 | Low | 46 Ų | 46 | 88 Ų | 88 | 18% | 0.18 | 43% | 0.426 | C | S | . | . | trans | -124.9 | 146.5 | 178.4 | -172 | -131.8 | 0 | 0 | 0 | 119.6 | L308 R312 R323 A324 L387 | L308-Y321 VanDerWaalsContact CB-CB 3.44Å; L308-Y321 HydrophobicContact CB-CD1 4.19Å; L308-Y321 HydrophobicContact CB-CD2 3.69Å; L308-Y321 HydrophobicContact CB-CE2 4.44Å; L308-Y321 HydrophobicContact CB-CG 3.52Å; L308-Y321 HydrophobicContact CD1-CD2 3.57Å; L308-Y321 HydrophobicContact CD1-CE2 4.03Å; L308-Y321 HydrophobicContact CD1-CG 4.3Å; L308-Y321 VanDerWaalsContact CD2-CB 3.42Å; L308-Y321 HydrophobicContact CD2-CD2 3.81Å; L308-Y321 HydrophobicContact CD2-CG 4Å; L308-Y321 HydrophobicContact CG-CD2 3.85Å; L308-Y321 HydrophobicContact CG-CG 4.1Å; L308-Y321 WeakPolarHBondContact O-CB 3.34Å; R312-Y321 HydrophobicContact CB-CD1 4.08Å; R312-Y321 HydrophobicContact CG-CD1 4.43Å; Y321-R323 WeakPolarHBondContact OH-CA 3.44Å; Y321-A324 PolarHBondContact OH-N 3.08Å; Y321-A324 VanDerWaalsContact OH-N 3.09Å; Y321-L387 HydrophobicContact CE2-CD1 4.03Å; Y321-L387 HydrophobicContact CE2-CD2 3.9Å | ||
| 322 | H | 29.7 | Very low | 51.3 | Low | 110 Ų | 110 | 89.6 Ų | 89.6 | 51% | 0.509 | 45% | 0.446 | S | S | . | . | trans | -138.9 | 150.8 | 149.2 | -140.9 | -81.1 | 0 | 0 | 0 | 113.7 | R312 | R312-H322 PolarHBondContact NH1-CD2 3.45Å; R312-H322 PolarHBondContact NH1-CE1 2.93Å; R312-H322 PolarHBondContact NH1-NE2 3.46Å | ||
| 323 | R | 31.2 | Very low | 48.6 | Very low | 184 Ų | 184 | 89.2 Ų | 89.2 | 69% | 0.694 | 46% | 0.455 | S | S | * | . | trans | -60.9 | 135.9 | -156.8 | -164.6 | -179 | -171.9 | 172.2 | 1 | 120.4 | Y321 | Y321-R323 WeakPolarHBondContact OH-CA 3.44Š| ||
| 324 | A | 35.6 | Very low | 45.7 | Very low | 17 Ų | 17 | 91.7 Ų | 91.7 | 14% | 0.14 | 47% | 0.471 | C | S | . | . | trans | -174.6 | 160.5 | 136.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y321 L387 Q390 | Y321-A324 PolarHBondContact OH-N 3.08Å; Y321-A324 VanDerWaalsContact OH-N 3.09Å; A324-L387 VanDerWaalsContact O-CD2 3.29Å; A324-L387 WeakPolarHBondContact O-CD2 3.19Å; A324-Q390 HydrophobicContact CB-CG 3.96Å | ||
| 325 | Q | 32.2 | Very low | 42.8 | Very low | 158 Ų | 158 | 90.2 Ų | 90.2 | 74% | 0.738 | 46% | 0.464 | S | S | * | . | trans | -112.3 | 159.6 | -166.6 | -73.7 | -174.8 | -36.7 | 0 | 0 | 114.7 | S388 | Q325-S388 PolarHBondContact O-OG 3.23Å; Q325-S388 VanDerWaalsContact O-OG 3.09Å | ||
| 326 | R | 35.3 | Very low | 39.9 | Very low | 207 Ų | 207 | 87.4 Ų | 87.4 | 78% | 0.781 | 44% | 0.435 | S | S | * | . | trans | 65.1 | 108.6 | 168.1 | -76.8 | -176.7 | 170.2 | 173.6 | -4.1 | 116.6 | ||||
| 327 | S | 37.5 | Very low | 38 | Very low | 58 Ų | 58 | 87 Ų | 87 | 41% | 0.406 | 43% | 0.434 | S | S | . | . | 67.7 | 120.3 | 88.5 | 85 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 328 | D | 36.3 | Very low | 37.2 | Very low | 127 Ų | 127 | 82.8 Ų | 82.8 | 68% | 0.679 | 41% | 0.412 | S | S | * | . | -158.6 | 156.4 | 54.1 | -45.1 | -44.2 | 0 | 0 | 0 | 111.5 | |||||
| 329 | E | 32.7 | Very low | 38.2 | Very low | 180 Ų | 180 | 82.8 Ų | 82.8 | 84% | 0.841 | 41% | 0.412 | S | S | * | . | trans | 18.5 | 120.6 | 162.4 | -61.7 | 174.6 | 176.2 | 0 | 0 | 122.8 | ||||
| 330 | L | 39.7 | Very low | 40.5 | Very low | 152 Ų | 152 | 82.9 Ų | 82.9 | 80% | 0.796 | 41% | 0.412 | S | S | * | . | -178.6 | 158.8 | 112.2 | -134.8 | 81 | 0 | 0 | 0 | 112.8 | |||||
| 331 | E | 30.1 | Very low | 43.6 | Very low | 143 Ų | 143 | 78.9 Ų | 78.9 | 67% | 0.668 | 39% | 0.392 | S | S | * | . | trans | -84.4 | 135.1 | -169.9 | -142.7 | 170.1 | -173.7 | 0 | 0 | 113 | ||||
| 332 | G | 29.6 | Very low | 46.6 | Very low | 46 Ų | 46 | 76.7 Ų | 76.7 | 47% | 0.474 | 38% | 0.383 | S | S | . | . | trans | 175.4 | 103.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 333 | T | 27.4 | Very low | 49.8 | Very low | 97 Ų | 97 | 71.5 Ų | 71.5 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | trans | -12.8 | 121.7 | 170.8 | -31.9 | 0 | 0 | 0 | 0 | 120.5 | F272 R384 | F272-T333 HydrophobicContact CZ-CG2 4.43Å; T333-R384 VanDerWaalsContact C-NH2 3.3Å; T333-R384 PolarHBondContact O-NH2 2.93Å | ||
| 334 | L | 28.5 | Very low | 52.9 | Low | 119 Ų | 119 | 62.8 Ų | 62.8 | 62% | 0.623 | 33% | 0.326 | S | S | * | . | trans | 162.3 | 85.1 | 138.9 | -97.2 | 138.4 | 0 | 0 | 0 | 110.5 | E274 W380 R384 | E274-L334 PolarHBondContact OE1-N 3.29Å; E274-L334 PolarHBondContact OE2-N 2.67Å; L334-W380 WeakPolarHBondContact O-CZ2 3.19Å; L334-W380 PolarHBondContact O-NE1 2.84Å; L334-R384 VanDerWaalsContact CA-NH2 3.33Å; L334-R384 PolarHBondContact O-NH2 3.36Å; L334-R384 VanDerWaalsContact O-NH2 3.11Å | ||
| 335 | T | 29.2 | Very low | 55.8 | Low | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | trans | -5.8 | 144.3 | 178.1 | 37.6 | 0 | 0 | 0 | 0 | 121.4 | K146 E274 E276 K374 | K146-T335 HydrophobicContact CB-CG2 3.59Å; K146-T335 HydrophobicContact CD-CG2 3.79Å; K146-T335 HydrophobicContact CG-CG2 3.68Å; K146-T335 WeakPolarHBondContact O-CB 3.21Å; K146-T335 WeakPolarHBondContact O-CG2 3.41Å; K146-T335 PolarHBondContact O-OG1 3.47Å; E274-T335 WeakPolarHBondContact OE2-CA 3.09Å; E274-T335 PolarHBondContact OE2-N 3.45Å; E276-T335 HydrophobicContact CG-CG2 3.83Å; E276-T335 WeakPolarHBondContact OE1-CB 3.39Å; T335-K374 VanDerWaalsContact C-NZ 3.32Å; T335-K374 WeakPolarHBondContact O-CD 3.32Å; T335-K374 WeakPolarHBondContact O-CE 3.33Å; T335-K374 WeakPolarHBondContact O-CG 3.28Å; T335-K374 PolarHBondContact O-NZ 2.89Å; T335-K374 PolarHBondContact OG1-NZ 3.42Å | ||
| 336 | S | 28.4 | Very low | 58.9 | Low | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 152.1 | 167.1 | 62 | 0 | 0 | 0 | 0 | 114.6 | E274 V275 E276 L304 W380 | E274-S336 CarbonylContact C-O 3.49Å; E274-S336 CarbonylContact O-C 3.45Å; E274-S336 PolarHBondContact O-N 2.79Å; V275-S336 CarbonylContact C-O 3.51Å; V275-S336 WeakPolarHBondContact CA-O 3.33Å; E276-S336 WeakPolarHBondContact CG-O 3.36Å; E276-S336 PolarHBondContact N-O 2.62Å; L304-S336 VanDerWaalsContact CD1-OG 3.23Å; L304-S336 WeakPolarHBondContact CD1-OG 3.39Å; L304-S336 VanDerWaalsContact CD2-OG 3.3Å; L304-S336 WeakPolarHBondContact CD2-OG 3.23Å; S336-W380 VanDerWaalsContact CB-CZ2 3.47Å; S336-W380 WeakPolarHBondContact OG-CH2 3.44Å |
| 337 | G | 49.2 | Very low | 61.8 | Low | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 131.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L304 Y371 F375 | L304-G337 WeakPolarHBondContact CD2-O 3.5Å; G337-Y371 VanDerWaalsContact CA-CE2 3.47Å; G337-Y371 VanDerWaalsContact CA-CG 3.46Å; G337-F375 WeakPolarHBondContact O-CD1 3.45Å; G337-F375 WeakPolarHBondContact O-CE1 3.41Å; G337-F375 WeakPolarHBondContact O-CZ 3.29Å |
| 338 | G | 72.4 | Confident | 64.6 | Low | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | trans | -158.9 | 4.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S340 G341 A342 | G338-S340 VanDerWaalsContact C-N 3.26Å; G338-S340 PolarHBondContact O-N 2.99Å; G338-G341 CarbonylContact O-C 3.54Å; G338-G341 VanDerWaalsContact O-CA 3.31Å; G338-G341 WeakPolarHBondContact O-CA 3.3Å; G338-G341 PolarHBondContact O-N 2.81Å; G338-A342 PolarHBondContact O-N 3.1Å | ||
| 339 | S | 90.7 | Very high | 67.4 | Low | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.028 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.1 | -34.3 | -173 | 65.1 | 0 | 0 | 0 | 0 | 112.8 | G341 A342 N343 P365 | S339-G341 VanDerWaalsContact C-N 3.34Å; S339-G341 PolarHBondContact O-N 2.9Å; S339-A342 PolarHBondContact O-N 3.24Å; S339-N343 WeakPolarHBondContact O-CB 3.4Å; S339-N343 PolarHBondContact O-N 3.11Å; S339-N343 PolarHBondContact O-OD1 3.23Å; S339-P365 WeakPolarHBondContact OG-CG 3.18Å |
| 340 | S | 94.6 | Very high | 70.5 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 169.4 | -70.8 | 0 | 0 | 0 | 0 | 112.3 | G338 M344 P365 | G338-S340 VanDerWaalsContact C-N 3.26Å; G338-S340 PolarHBondContact O-N 2.99Å; S340-M344 VanDerWaalsContact O-CB 3.28Å; S340-M344 WeakPolarHBondContact O-CB 3.47Å; S340-M344 PolarHBondContact O-N 3.2Å; S340-P365 VanDerWaalsContact OG-CD 3.24Å; S340-P365 WeakPolarHBondContact OG-CD 3.46Å |
| 341 | G | 93.6 | Very high | 73.2 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.3 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S303 G338 S339 M344 W345 | S303-G341 CarbonylContact O-C 3.52Å; S303-G341 VanDerWaalsContact O-CA 3.25Å; S303-G341 WeakPolarHBondContact O-CA 3.49Å; G338-G341 CarbonylContact O-C 3.54Å; G338-G341 VanDerWaalsContact O-CA 3.31Å; G338-G341 WeakPolarHBondContact O-CA 3.3Å; G338-G341 PolarHBondContact O-N 2.81Å; S339-G341 VanDerWaalsContact C-N 3.34Å; S339-G341 PolarHBondContact O-N 2.9Å; G341-M344 PolarHBondContact O-N 2.81Å; G341-W345 VanDerWaalsContact O-CB 3.28Å; G341-W345 WeakPolarHBondContact O-CB 3.43Å; G341-W345 PolarHBondContact O-N 3.44Å |
| 342 | A | 94.9 | Very high | 76.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.6 | -49.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | V254 I278 T298 S303 G338 S339 M344 W345 A346 | V254-A342 HydrophobicContact CG1-CB 4.36Å; I278-A342 HydrophobicContact CD1-CB 3.8Å; T298-A342 HydrophobicContact CG2-CB 4.27Å; S303-A342 WeakPolarHBondContact OG-CA 3.24Å; S303-A342 WeakPolarHBondContact OG-CB 3.38Å; G338-A342 PolarHBondContact O-N 3.1Å; S339-A342 PolarHBondContact O-N 3.24Å; A342-M344 VanDerWaalsContact C-N 3.33Å; A342-M344 PolarHBondContact O-N 3.5Å; A342-W345 PolarHBondContact O-N 2.96Å; A342-A346 WeakPolarHBondContact O-CB 3.35Å; A342-A346 PolarHBondContact O-N 2.76Å |
| 343 | N | 97.2 | Very high | 79.4 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 177.6 | -67.6 | -4.5 | 0 | 0 | 0 | 111.6 | V226 G228 S339 A347 V362 L363 | V226-N343 WeakPolarHBondContact CG1-O 3.46Å; G228-N343 WeakPolarHBondContact CA-OD1 3.38Å; G228-N343 VanDerWaalsContact N-CG 3.33Å; G228-N343 PolarHBondContact N-ND2 3.27Å; G228-N343 PolarHBondContact N-OD1 2.88Å; S339-N343 WeakPolarHBondContact O-CB 3.4Å; S339-N343 PolarHBondContact O-N 3.11Å; S339-N343 PolarHBondContact O-OD1 3.23Å; N343-A347 WeakPolarHBondContact O-CB 3.41Å; N343-A347 PolarHBondContact O-N 3.22Å; N343-V362 HydrophobicContact CB-CG1 3.77Å; N343-L363 PolarHBondContact ND2-O 2.75Å |
| 344 | M | 96.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.3 | -43.4 | 178.6 | -173.9 | 66.6 | -175.6 | 0 | 0 | 112.1 | I66 L69 L79 V81 T306 L310 S340 G341 A342 A346 A347 L348 V362 | I66-M344 HydrophobicContact CG1-CE 4.13Å; I66-M344 HydrophobicContact CG2-CE 3.85Å; L69-M344 HydrophobicContact CB-CE 3.96Å; L69-M344 HydrophobicContact CD1-CE 3.95Å; L79-M344 HydrophobicContact CD2-CE 3.38Å; L79-M344 HydrophobicContact CD2-SD 4.24Å; L79-M344 HydrophobicContact CG-CE 4.35Å; V81-M344 HydrophobicContact CG1-SD 4.37Å; T306-M344 HydrophobicContact CG2-CB 3.82Å; T306-M344 HydrophobicContact CG2-CG 3.75Å; L310-M344 HydrophobicContact CD1-CB 3.74Å; L310-M344 HydrophobicContact CD1-CG 3.86Å; L310-M344 HydrophobicContact CD2-CE 4.2Å; L310-M344 HydrophobicContact CD2-CG 3.94Å; L310-M344 HydrophobicContact CD2-SD 4.07Å; L310-M344 HydrophobicContact CG-CB 4.42Å; L310-M344 HydrophobicContact CG-CG 3.99Å; S340-M344 VanDerWaalsContact O-CB 3.28Å; S340-M344 WeakPolarHBondContact O-CB 3.47Å; S340-M344 PolarHBondContact O-N 3.2Å; G341-M344 PolarHBondContact O-N 2.81Å; A342-M344 VanDerWaalsContact C-N 3.33Å; A342-M344 PolarHBondContact O-N 3.5Å; M344-A346 VanDerWaalsContact C-N 3.32Å; M344-A346 PolarHBondContact O-N 3.35Å; M344-A347 WeakPolarHBondContact O-CB 3.2Å; M344-A347 PolarHBondContact O-N 3.31Å; M344-L348 HydrophobicContact CE-CD1 4.42Å; M344-L348 HydrophobicContact CE-CD2 3.91Å; M344-L348 HydrophobicContact CE-CG 4.14Å; M344-L348 HydrophobicContact CG-CD1 4.49Å; M344-L348 VanDerWaalsContact O-CG 3.31Å; M344-L348 WeakPolarHBondContact O-CG 3.09Å; M344-L348 PolarHBondContact O-N 3.33Å; M344-V362 HydrophobicContact SD-CG2 4.47Å |
| 345 | W | 95.5 | Very high | 86 | Confident | 65 Ų | 65 | 27.1 Ų | 27.1 | 25% | 0.246 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 177.4 | -176.7 | 90.9 | 0 | 0 | 0 | 110.5 | V296 T298 E302 T306 G341 A342 A347 L348 Q349 | V296-W345 HydrophobicContact CG1-CE3 4.46Å; V296-W345 HydrophobicContact CG1-CZ3 3.93Å; T298-W345 HydrophobicContact CG2-CE3 3.81Å; T298-W345 HydrophobicContact CG2-CZ3 4.16Å; E302-W345 HydrophobicContact CB-CD2 4.21Å; E302-W345 HydrophobicContact CB-CG 4.14Å; E302-W345 HydrophobicContact CB-CZ2 4.48Å; E302-W345 HydrophobicContact CG-CZ2 4.14Å; T306-W345 HydrophobicContact CG2-CB 4.1Å; G341-W345 VanDerWaalsContact O-CB 3.28Å; G341-W345 WeakPolarHBondContact O-CB 3.43Å; G341-W345 PolarHBondContact O-N 3.44Å; A342-W345 PolarHBondContact O-N 2.96Å; W345-A347 VanDerWaalsContact C-N 3.31Å; W345-A347 PolarHBondContact O-N 3.18Å; W345-L348 PolarHBondContact O-N 3.2Å; W345-Q349 HydrophobicContact CD2-CG 4.17Å; W345-Q349 HydrophobicContact CE3-CG 4.05Å; W345-Q349 HydrophobicContact CH2-CG 3.86Å; W345-Q349 HydrophobicContact CZ2-CG 3.96Å; W345-Q349 HydrophobicContact CZ3-CG 3.9Å; W345-Q349 WeakPolarHBondContact O-CG 3.47Å; W345-Q349 PolarHBondContact O-N 2.75Å; W345-Q349 VanDerWaalsContact O-N 3.11Å |
| 346 | A | 96.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.9 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V226 V254 V296 T298 A342 M344 Q349 A350 | V226-A346 HydrophobicContact CG1-CB 4.21Å; V254-A346 HydrophobicContact CB-CB 4.29Å; V254-A346 HydrophobicContact CG1-CB 3.86Å; V254-A346 HydrophobicContact CG2-CB 3.43Å; V254-A346 VanDerWaalsContact CG2-CB 3.43Å; V296-A346 HydrophobicContact CB-CB 3.91Å; V296-A346 HydrophobicContact CG1-CB 3.7Å; V296-A346 HydrophobicContact CG2-CB 4.39Å; T298-A346 HydrophobicContact CG2-CB 4.35Å; A342-A346 WeakPolarHBondContact O-CB 3.35Å; A342-A346 PolarHBondContact O-N 2.76Å; M344-A346 VanDerWaalsContact C-N 3.32Å; M344-A346 PolarHBondContact O-N 3.35Å; A346-Q349 PolarHBondContact O-N 3.5Å; A346-A350 WeakPolarHBondContact O-CB 3.27Å; A346-A350 PolarHBondContact O-N 2.89Å |
| 347 | A | 97.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L79 V226 N343 M344 W345 Q349 A350 A351 V362 | L79-A347 HydrophobicContact CD1-CB 4.45Å; V226-A347 HydrophobicContact CB-CB 4.1Å; V226-A347 HydrophobicContact CG1-CB 4.14Å; V226-A347 HydrophobicContact CG2-CB 3.82Å; N343-A347 WeakPolarHBondContact O-CB 3.41Å; N343-A347 PolarHBondContact O-N 3.22Å; M344-A347 WeakPolarHBondContact O-CB 3.2Å; M344-A347 PolarHBondContact O-N 3.31Å; W345-A347 VanDerWaalsContact C-N 3.31Å; W345-A347 PolarHBondContact O-N 3.18Å; A347-Q349 PolarHBondContact O-N 3.35Å; A347-A350 PolarHBondContact O-N 3.3Å; A347-A351 WeakPolarHBondContact O-CB 3.47Å; A347-A351 PolarHBondContact O-N 3.26Å; A347-V362 HydrophobicContact CB-CB 4.41Å; A347-V362 HydrophobicContact CB-CG1 4.23Å; A347-V362 HydrophobicContact CB-CG2 3.3Å |
| 348 | L | 96.3 | Very high | 94.8 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 9% | 0.094 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -27.8 | 176.1 | -67.9 | 177.1 | 0 | 0 | 0 | 112.7 | A73 L75 L79 T306 M344 W345 K352 | A73-L348 HydrophobicContact CB-CB 4.47Å; A73-L348 HydrophobicContact CB-CD2 3.78Å; L75-L348 HydrophobicContact CD1-CD2 3.88Å; L79-L348 HydrophobicContact CD2-CD2 3.89Å; T306-L348 HydrophobicContact CG2-CD1 4.39Å; M344-L348 HydrophobicContact CE-CD1 4.42Å; M344-L348 HydrophobicContact CE-CD2 3.91Å; M344-L348 HydrophobicContact CE-CG 4.14Å; M344-L348 HydrophobicContact CG-CD1 4.49Å; M344-L348 VanDerWaalsContact O-CG 3.31Å; M344-L348 WeakPolarHBondContact O-CG 3.09Å; M344-L348 PolarHBondContact O-N 3.33Å; W345-L348 PolarHBondContact O-N 3.2Å; L348-K352 WeakPolarHBondContact O-CE 3.22Å |
| 349 | Q | 95.2 | Very high | 96.1 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 34% | 0.341 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -80.6 | -49.5 | 171.2 | -55.7 | -44.9 | -43.1 | 0 | 0 | 111.8 | W345 A346 A347 K352 | W345-Q349 HydrophobicContact CD2-CG 4.17Å; W345-Q349 HydrophobicContact CE3-CG 4.05Å; W345-Q349 HydrophobicContact CH2-CG 3.86Å; W345-Q349 HydrophobicContact CZ2-CG 3.96Å; W345-Q349 HydrophobicContact CZ3-CG 3.9Å; W345-Q349 WeakPolarHBondContact O-CG 3.47Å; W345-Q349 PolarHBondContact O-N 2.75Å; W345-Q349 VanDerWaalsContact O-N 3.11Å; A346-Q349 PolarHBondContact O-N 3.5Å; A347-Q349 PolarHBondContact O-N 3.35Å; Q349-K352 WeakPolarHBondContact O-CG 3.28Å |
| 350 | A | 96.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.4 | -36.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M224 V252 R294 A346 A347 K352 | M224-A350 HydrophobicContact SD-CB 3.92Å; V252-A350 HydrophobicContact CG1-CB 4.43Å; V252-A350 HydrophobicContact CG2-CB 4.27Å; R294-A350 PolarHBondContact NH2-O 2.9Å; A346-A350 WeakPolarHBondContact O-CB 3.27Å; A346-A350 PolarHBondContact O-N 2.89Å; A347-A350 PolarHBondContact O-N 3.3Å; A350-K352 PolarHBondContact O-N 3.24Å |
| 351 | A | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -77.7 | -4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L75 M224 A347 D353 L354 C360 | L75-A351 HydrophobicContact CD1-CB 3.93Å; L75-A351 HydrophobicContact CD2-CB 4.12Å; M224-A351 HydrophobicContact SD-CB 4.47Å; A347-A351 WeakPolarHBondContact O-CB 3.47Å; A347-A351 PolarHBondContact O-N 3.26Å; A351-D353 PolarHBondContact O-N 2.66Å; A351-L354 HydrophobicContact CB-CD1 4.18Å; A351-L354 WeakPolarHBondContact O-CB 3.49Å; A351-L354 PolarHBondContact O-N 3.03Å; A351-C360 HydrophobicContact CB-CB 4.19Å |
| 352 | K | 96.3 | Very high | 96.9 | Very high | 118 Ų | 118 | 42.1 Ų | 42.1 | 51% | 0.513 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -58.7 | -28 | 177 | -71.3 | 174.8 | 176.4 | 171.4 | 0 | 112.9 | L75 L348 Q349 A350 L354 | L75-K352 HydrophobicContact CD2-CB 4.41Å; L75-K352 HydrophobicContact CD2-CG 3.84Å; L348-K352 WeakPolarHBondContact O-CE 3.22Å; Q349-K352 WeakPolarHBondContact O-CG 3.28Å; A350-K352 PolarHBondContact O-N 3.24Å; K352-L354 VanDerWaalsContact C-N 3.29Å |
| 353 | D | 92.2 | Very high | 97 | Very high | 114 Ų | 114 | 42.3 Ų | 42.3 | 61% | 0.61 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -79 | -11.6 | 179.5 | -55.8 | -35 | 0 | 0 | 0 | 113 | R294 A351 | R294-D353 IonicContact CZ-OD2 2.76Å; R294-D353 IonicContact NH1-OD2 2.69Å; R294-D353 PolarHBondContact NH1-OD2 2.72Å; R294-D353 IonicContact NH2-OD2 2.73Å; A351-D353 PolarHBondContact O-N 2.66Å |
| 354 | L | 97.7 | Very high | 97 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -84.2 | 147 | -178.4 | -60.9 | 179.9 | 0 | 0 | 0 | 112 | C77 D223 M224 A351 K352 Q358 C360 | C77-L354 HydrophobicContact CB-CB 3.59Å; C77-L354 HydrophobicContact CB-CD1 4.13Å; D223-L354 HydrophobicContact CB-CD2 4.24Å; M224-L354 HydrophobicContact CB-CD1 3.84Å; M224-L354 HydrophobicContact CE-CD1 4.03Å; M224-L354 HydrophobicContact CE-CD2 4.03Å; M224-L354 HydrophobicContact CE-CG 3.96Å; M224-L354 HydrophobicContact SD-CD1 4.27Å; A351-L354 HydrophobicContact CB-CD1 4.18Å; A351-L354 WeakPolarHBondContact O-CB 3.49Å; A351-L354 PolarHBondContact O-N 3.03Å; K352-L354 VanDerWaalsContact C-N 3.29Å; L354-Q358 HydrophobicContact CB-CB 4.31Å; L354-C360 HydrophobicContact CD1-CB 3.83Å |
| 355 | K | 97.5 | Very high | 97 | Very high | 152 Ų | 152 | 42.8 Ų | 42.8 | 66% | 0.661 | 22% | 0.217 | S | C | * | . | P | Polyproline II helix | trans | -97.8 | 168.9 | -177.7 | -58.5 | 178.9 | -176.1 | 178.9 | 0 | 111.4 | C77 Q358 | C77-K355 WeakPolarHBondContact CA-O 3.41Å; K355-Q358 WeakPolarHBondContact O-CB 3.49Å; K355-Q358 PolarHBondContact O-N 3.42Å |
| 356 | E | 97.2 | Very high | 97 | Very high | 170 Ų | 170 | 39.9 Ų | 39.9 | 79% | 0.794 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 140 | 170 | -172.1 | 172.7 | -174.2 | 0 | 0 | 110.8 | K76 Q358 | K76-E356 WeakPolarHBondContact O-CA 3.5Å; E356-Q358 VanDerWaalsContact C-N 3.28Å; E356-Q358 PolarHBondContact O-N 3.36Å |
| 357 | G | 96.5 | Very high | 96.8 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 70% | 0.701 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -14.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 358 | Q | 98.4 | Very high | 96.4 | Very high | 51 Ų | 51 | 42 Ų | 42 | 24% | 0.238 | 22% | 0.22 | C | C | . | . | trans | -84.3 | 155.2 | 173.7 | -61.8 | -169 | -83.5 | 0 | 0 | 111.6 | C77 E78 D223 L354 K355 E356 | C77-Q358 WeakPolarHBondContact CA-O 3.34Å; C77-Q358 HydrophobicContact CB-CB 4.35Å; C77-Q358 VanDerWaalsContact CB-O 3.27Å; C77-Q358 WeakPolarHBondContact CB-O 3.49Å; E78-Q358 PolarHBondContact N-O 2.88Å; D223-Q358 HydrophobicContact CB-CB 3.99Å; D223-Q358 HydrophobicContact CB-CG 4.44Å; D223-Q358 PolarHBondContact OD1-NE2 2.73Å; D223-Q358 WeakPolarHBondContact OD2-CA 3.13Å; D223-Q358 WeakPolarHBondContact OD2-CB 3.41Å; L354-Q358 HydrophobicContact CB-CB 4.31Å; K355-Q358 WeakPolarHBondContact O-CB 3.49Å; K355-Q358 PolarHBondContact O-N 3.42Å; E356-Q358 VanDerWaalsContact C-N 3.28Å; E356-Q358 PolarHBondContact O-N 3.36Å | ||
| 359 | K | 98.6 | Very high | 96.2 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 16% | 0.161 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.8 | -179.7 | -54.5 | -172.1 | -162.4 | 134.3 | 0 | 113.1 | E78 L80 C218 S221 D223 M224 | E78-K359 HydrophobicContact CB-CG 4.25Å; E78-K359 WeakPolarHBondContact O-CA 3.48Å; E78-K359 WeakPolarHBondContact OE2-CD 2.94Å; E78-K359 WeakPolarHBondContact OE2-CE 3Å; L80-K359 HydrophobicContact CD1-CD 4.15Å; C218-K359 PolarHBondContact O-NZ 3.26Å; S221-K359 WeakPolarHBondContact O-CD 3.32Å; S221-K359 PolarHBondContact O-NZ 2.75Å; S221-K359 VanDerWaalsContact O-NZ 3.11Å; D223-K359 PolarHBondContact N-O 3.06Å; D223-K359 PolarHBondContact OD2-N 3.24Å; M224-K359 PolarHBondContact N-O 3.19Å |
| 360 | C | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.7 | 169.7 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | E78 L79 L80 M224 A351 L354 | E78-C360 PolarHBondContact O-N 2.91Å; L79-C360 HydrophobicContact CD1-CB 3.78Å; L80-C360 PolarHBondContact N-O 3.06Å; M224-C360 HydrophobicContact CB-CB 4.24Å; M224-C360 CarbonylContact O-C 3.58Å; M224-C360 WeakPolarHBondContact O-CA 3.47Å; A351-C360 HydrophobicContact CB-CB 4.19Å; L354-C360 HydrophobicContact CD1-CB 3.83Å |
| 361 | V | 98.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.8 | 177 | 179 | 0 | 0 | 0 | 0 | 109.8 | L63 L80 K82 I214 I222 M224 L225 V226 | L63-V361 HydrophobicContact CD1-CG1 3.91Å; L80-V361 HydrophobicContact CB-CG2 4.23Å; L80-V361 HydrophobicContact CD1-CG2 4.29Å; L80-V361 CarbonylContact O-C 3.59Å; L80-V361 WeakPolarHBondContact O-CA 3.02Å; K82-V361 HydrophobicContact CB-CG1 4.39Å; I214-V361 HydrophobicContact CD1-CG1 4.31Å; I214-V361 HydrophobicContact CG1-CG1 4.42Å; I214-V361 HydrophobicContact CG2-CG1 4.19Å; I214-V361 HydrophobicContact CG2-CG2 4.22Å; I222-V361 HydrophobicContact CG2-CG2 3.9Å; M224-V361 PolarHBondContact O-N 2.76Å; L225-V361 CarbonylContact C-O 3.45Å; L225-V361 WeakPolarHBondContact CA-O 3.19Å; L225-V361 HydrophobicContact CD1-CB 4.4Å; L225-V361 HydrophobicContact CD1-CG1 4.33Å; V226-V361 PolarHBondContact N-O 3.25Å |
| 362 | V | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.7 | -179.8 | -169.9 | 0 | 0 | 0 | 0 | 110.1 | L79 L80 V81 K82 V226 N343 M344 A347 L364 | L79-V362 HydrophobicContact CD1-CG2 3.73Å; L80-V362 PolarHBondContact O-N 3.39Å; V81-V362 CarbonylContact C-O 3.49Å; V81-V362 VanDerWaalsContact CA-O 3.27Å; V81-V362 WeakPolarHBondContact CA-O 3.24Å; V81-V362 HydrophobicContact CG1-CB 4.12Å; K82-V362 PolarHBondContact N-O 3.04Å; V226-V362 HydrophobicContact CB-CG1 4.38Å; V226-V362 HydrophobicContact CB-CG2 4.4Å; V226-V362 WeakPolarHBondContact O-CA 3.42Å; N343-V362 HydrophobicContact CB-CG1 3.77Å; M344-V362 HydrophobicContact SD-CG2 4.47Å; A347-V362 HydrophobicContact CB-CB 4.41Å; A347-V362 HydrophobicContact CB-CG1 4.23Å; A347-V362 HydrophobicContact CB-CG2 3.3Å; V362-L364 HydrophobicContact CG1-CD2 4.35Å |
| 363 | L | 98.2 | Very high | 94.4 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125.3 | 176.6 | -165.5 | 72 | 0 | 0 | 0 | 110.7 | K82 E84 V92 T210 V226 A227 I238 N343 P365 | K82-L363 HydrophobicContact CB-CD1 4.04Å; K82-L363 HydrophobicContact CG-CD1 3.93Å; E84-L363 HydrophobicContact CG-CD1 3.61Å; E84-L363 HydrophobicContact CG-CG 4.29Å; V92-L363 HydrophobicContact CG2-CD2 4.4Å; T210-L363 HydrophobicContact CG2-CD1 4.33Å; V226-L363 PolarHBondContact O-N 2.98Å; A227-L363 HydrophobicContact CB-CB 4.02Å; A227-L363 HydrophobicContact CB-CD2 4.16Å; I238-L363 HydrophobicContact CD1-CD1 4.25Å; I238-L363 HydrophobicContact CD1-CD2 4.21Å; N343-L363 PolarHBondContact ND2-O 2.75Å; L363-P365 WeakPolarHBondContact O-CD 3.1Å |
| 364 | L | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 101.6 | 175 | -58.4 | -172.6 | 0 | 0 | 0 | 110.1 | V81 K82 E84 Y85 L310 I316 V362 | V81-L364 HydrophobicContact CB-CD1 3.64Å; V81-L364 HydrophobicContact CB-CG 3.86Å; V81-L364 HydrophobicContact CG1-CD1 3.83Å; V81-L364 HydrophobicContact CG1-CD2 4.15Å; V81-L364 HydrophobicContact CG1-CG 4Å; V81-L364 HydrophobicContact CG2-CD1 3.94Å; K82-L364 PolarHBondContact O-N 3.31Å; E84-L364 WeakPolarHBondContact CB-O 3.32Å; E84-L364 PolarHBondContact N-O 3.45Å; Y85-L364 HydrophobicContact CD1-CB 4.11Å; Y85-L364 HydrophobicContact CE1-CB 4.03Å; Y85-L364 HydrophobicContact CE1-CD1 4.02Å; L310-L364 HydrophobicContact CD1-CD2 4.3Å; I316-L364 HydrophobicContact CG2-CD1 3.64Å; V362-L364 HydrophobicContact CG1-CD2 4.35Å |
| 365 | P | 96 | Very high | 93.3 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 8% | 0.078 | 21% | 0.209 | C | C | . | . | trans | -69.6 | -37.6 | -161.1 | -26.7 | 38.9 | 0 | 0 | 0 | 116.6 | S91 V92 S339 S340 L363 | S91-P365 CarbonylContact C-O 3.55Å; S91-P365 VanDerWaalsContact CA-O 3.29Å; S91-P365 WeakPolarHBondContact CA-O 3.38Å; V92-P365 HydrophobicContact CG1-CB 3.85Å; V92-P365 PolarHBondContact N-O 2.91Å; S339-P365 WeakPolarHBondContact OG-CG 3.18Å; S340-P365 VanDerWaalsContact OG-CD 3.24Å; S340-P365 WeakPolarHBondContact OG-CD 3.46Å; L363-P365 WeakPolarHBondContact O-CD 3.1Å | ||
| 366 | D | 94.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -156.2 | 171 | -170.7 | 72.2 | -24 | 0 | 0 | 0 | 114.7 | N123 N370 Y371 | N123-D366 PolarHBondContact ND2-OD2 3.32Å; D366-N370 PolarHBondContact OD2-ND2 3.12Å; D366-Y371 PolarHBondContact OD1-OH 3.37Å; D366-Y371 WeakPolarHBondContact OD2-CE2 3.25Å; D366-Y371 VanDerWaalsContact OD2-CZ 3.24Å; D366-Y371 PolarHBondContact OD2-OH 3Å |
| 367 | S | 93.1 | Very high | 92 | Very high | 19 Ų | 19 | 27.2 Ų | 27.2 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | trans | -88 | 166.4 | -171 | 71.6 | 0 | 0 | 0 | 0 | 113.6 | G90 R369 Y371 | G90-S367 PolarHBondContact O-N 2.97Å; S367-R369 PolarHBondContact O-N 2.97Å; S367-R369 WeakPolarHBondContact OG-CB 3.49Å; S367-R369 PolarHBondContact OG-N 3.4Å; S367-Y371 WeakPolarHBondContact O-CD2 3.48Å; S367-Y371 WeakPolarHBondContact O-CE2 3.19Å | ||
| 368 | V | 90.5 | Very high | 91.1 | Very high | 25 Ų | 25 | 29.1 Ų | 29.1 | 15% | 0.152 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -57.7 | -26.1 | 173.2 | -38.7 | 0 | 0 | 0 | 0 | 113.9 | L317 G319 N370 Y371 M372 L376 | L317-V368 HydrophobicContact CB-CG1 3.69Å; L317-V368 HydrophobicContact CD2-CG1 4.22Å; L317-V368 WeakPolarHBondContact O-CG1 3.3Å; L317-V368 PolarHBondContact O-N 3Å; G319-V368 VanDerWaalsContact N-CG1 3.34Å; G319-V368 WeakPolarHBondContact O-CG1 3.49Å; V368-N370 PolarHBondContact O-N 3.24Å; V368-Y371 PolarHBondContact O-N 2.84Å; V368-M372 HydrophobicContact CG2-SD 3.97Å; V368-L376 HydrophobicContact CB-CD1 3.99Å; V368-L376 HydrophobicContact CB-CD2 4.12Å |
| 369 | R | 92 | Very high | 90.1 | Very high | 78 Ų | 78 | 29.2 Ų | 29.2 | 29% | 0.294 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -52.4 | -38.5 | -168.7 | -179.9 | -167.3 | 65 | -158.4 | -7.5 | 111.9 | G89 E150 S367 Y371 | G89-R369 PolarHBondContact O-NH1 3.28Å; G89-R369 PolarHBondContact O-NH2 3.12Å; E150-R369 WeakPolarHBondContact CB-O 3.4Å; E150-R369 WeakPolarHBondContact CG-O 3.25Å; S367-R369 PolarHBondContact O-N 2.97Å; S367-R369 WeakPolarHBondContact OG-CB 3.49Å; S367-R369 PolarHBondContact OG-N 3.4Å; R369-Y371 PolarHBondContact O-N 2.92Å; R369-Y371 VanDerWaalsContact O-N 3.14Å |
| 370 | N | 88.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -70.5 | -8 | -175.9 | -65.9 | -18.9 | 0 | 0 | 0 | 113.3 | N123 S148 K151 D366 V368 | N123-N370 PolarHBondContact OD1-ND2 2.86Å; S148-N370 WeakPolarHBondContact CB-O 3.37Å; S148-N370 PolarHBondContact OG-O 3.16Å; K151-N370 HydrophobicContact CG-CB 4.27Å; D366-N370 PolarHBondContact OD2-ND2 3.12Å; V368-N370 PolarHBondContact O-N 3.24Å |
| 371 | Y | 86.5 | Confident | 88.5 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -137.1 | 14.1 | -159.2 | -46.5 | -56.7 | 0 | 0 | 0 | 113.8 | E276 G337 D366 S367 V368 R369 T373 K374 F375 L376 | E276-Y371 HydrophobicContact CB-CE1 4.3Å; G337-Y371 VanDerWaalsContact CA-CE2 3.47Å; G337-Y371 VanDerWaalsContact CA-CG 3.46Å; D366-Y371 PolarHBondContact OD1-OH 3.37Å; D366-Y371 WeakPolarHBondContact OD2-CE2 3.25Å; D366-Y371 VanDerWaalsContact OD2-CZ 3.24Å; D366-Y371 PolarHBondContact OD2-OH 3Å; S367-Y371 WeakPolarHBondContact O-CD2 3.48Å; S367-Y371 WeakPolarHBondContact O-CE2 3.19Å; V368-Y371 PolarHBondContact O-N 2.84Å; R369-Y371 PolarHBondContact O-N 2.92Å; R369-Y371 VanDerWaalsContact O-N 3.14Å; Y371-T373 PolarHBondContact O-N 2.84Å; Y371-K374 PolarHBondContact O-N 2.74Å; Y371-F375 AromaticContact CD2-CE1 3.71Å; Y371-F375 HydrophobicContact CD2-CE1 3.71Å; Y371-F375 HydrophobicContact CG-CD1 4.19Å; Y371-F375 AromaticContact CG-CE1 3.67Å; Y371-F375 HydrophobicContact CG-CE1 3.67Å; Y371-L376 WeakPolarHBondContact O-CD1 3.34Å |
| 372 | M | 86.6 | Confident | 87.5 | Confident | 103 Ų | 103 | 29.3 Ų | 29.3 | 51% | 0.507 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -39.4 | -173.4 | -66.9 | -63.8 | -64.6 | 0 | 0 | 113 | E150 V368 L376 | E150-M372 HydrophobicContact CG-CB 4.35Å; E150-M372 PolarHBondContact OE1-N 2.87Å; V368-M372 HydrophobicContact CG2-SD 3.97Å; M372-L376 WeakPolarHBondContact O-CB 3.38Å; M372-L376 HydrophobicContact SD-CD2 4.15Å |
| 373 | T | 85.4 | Confident | 86.5 | Confident | 89 Ų | 89 | 34.1 Ų | 34.1 | 55% | 0.546 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 6.7 | -179.1 | 59 | 0 | 0 | 0 | 0 | 114 | E150 Y371 | E150-T373 WeakPolarHBondContact OE1-CB 3.32Å; E150-T373 WeakPolarHBondContact OE1-CG2 3.41Å; E150-T373 PolarHBondContact OE1-N 2.91Å; E150-T373 PolarHBondContact OE1-OG1 3.23Å; Y371-T373 PolarHBondContact O-N 2.84Å |
| 374 | K | 82.4 | Confident | 85.4 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -121.7 | -170.5 | -67.5 | 160 | 160.6 | -132.3 | 0 | 110.8 | S148 E276 T335 Y371 L376 S377 W380 | S148-K374 VanDerWaalsContact CA-NZ 3.34Å; E276-K374 IonicContact OE1-NZ 3.37Å; E276-K374 PolarHBondContact OE1-NZ 3.19Å; T335-K374 VanDerWaalsContact C-NZ 3.32Å; T335-K374 WeakPolarHBondContact O-CD 3.32Å; T335-K374 WeakPolarHBondContact O-CE 3.33Å; T335-K374 WeakPolarHBondContact O-CG 3.28Å; T335-K374 PolarHBondContact O-NZ 2.89Å; T335-K374 PolarHBondContact OG1-NZ 3.42Å; Y371-K374 PolarHBondContact O-N 2.74Å; K374-L376 PolarHBondContact O-N 3.21Å; K374-S377 WeakPolarHBondContact O-CA 3.33Å; K374-S377 VanDerWaalsContact O-CB 3.25Å; K374-S377 WeakPolarHBondContact O-CB 3.07Å; K374-S377 PolarHBondContact O-N 3.45Å; K374-W380 VanDerWaalsContact C-CD2 3.42Å; K374-W380 HydrophobicContact CB-CD2 4.29Å; K374-W380 VanDerWaalsContact O-CB 3.32Å; K374-W380 WeakPolarHBondContact O-CB 3.32Å |
| 375 | F | 84.6 | Confident | 84.4 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.8 | -179.5 | 83.1 | -77.6 | 0 | 0 | 0 | 114.6 | L304 A307 L308 G337 Y371 S377 W380 M381 | L304-F375 HydrophobicContact CB-CB 4.49Å; L304-F375 HydrophobicContact CD1-CB 4.46Å; L304-F375 HydrophobicContact CD2-CB 3.85Å; L304-F375 HydrophobicContact CD2-CD1 4.36Å; L304-F375 HydrophobicContact CD2-CD2 4.26Å; L304-F375 HydrophobicContact CD2-CG 3.93Å; L304-F375 HydrophobicContact CG-CB 4.49Å; A307-F375 HydrophobicContact CB-CD2 4.49Å; A307-F375 HydrophobicContact CB-CE2 3.69Å; A307-F375 HydrophobicContact CB-CZ 4.2Å; L308-F375 HydrophobicContact CD2-CD2 3.69Å; L308-F375 HydrophobicContact CD2-CE2 4.05Å; L308-F375 HydrophobicContact CG-CD2 3.97Å; L308-F375 HydrophobicContact CG-CE2 4.38Å; G337-F375 WeakPolarHBondContact O-CD1 3.45Å; G337-F375 WeakPolarHBondContact O-CE1 3.41Å; G337-F375 WeakPolarHBondContact O-CZ 3.29Å; Y371-F375 AromaticContact CD2-CE1 3.71Å; Y371-F375 HydrophobicContact CD2-CE1 3.71Å; Y371-F375 HydrophobicContact CG-CD1 4.19Å; Y371-F375 AromaticContact CG-CE1 3.67Å; Y371-F375 HydrophobicContact CG-CE1 3.67Å; F375-S377 VanDerWaalsContact C-N 3.34Å; F375-W380 HydrophobicContact CB-CE3 4.25Å; F375-W380 HydrophobicContact CB-CZ3 3.97Å; F375-M381 HydrophobicContact CB-CG 4.48Å; F375-M381 HydrophobicContact CB-SD 3.65Å; F375-M381 WeakPolarHBondContact O-CG 3.34Å |
| 376 | L | 83.6 | Confident | 83.3 | Confident | 26 Ų | 26 | 37.8 Ų | 37.8 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -30 | 167.1 | -83 | 110.2 | 0 | 0 | 0 | 113.4 | L320 V368 Y371 M372 K374 | L320-L376 HydrophobicContact CB-CD2 3.74Å; L320-L376 HydrophobicContact CB-CG 4.46Å; L320-L376 HydrophobicContact CD2-CD2 3.76Å; L320-L376 HydrophobicContact CG-CD2 4.35Å; L320-L376 WeakPolarHBondContact O-CA 3.32Å; V368-L376 HydrophobicContact CB-CD1 3.99Å; V368-L376 HydrophobicContact CB-CD2 4.12Å; Y371-L376 WeakPolarHBondContact O-CD1 3.34Å; M372-L376 WeakPolarHBondContact O-CB 3.38Å; M372-L376 HydrophobicContact SD-CD2 4.15Å; K374-L376 PolarHBondContact O-N 3.21Å |
| 377 | S | 82.9 | Confident | 82.1 | Confident | 38 Ų | 38 | 38.2 Ų | 38.2 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -79.7 | 123.3 | 175.9 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | K374 F375 K379 W380 M381 | K374-S377 WeakPolarHBondContact O-CA 3.33Å; K374-S377 VanDerWaalsContact O-CB 3.25Å; K374-S377 WeakPolarHBondContact O-CB 3.07Å; K374-S377 PolarHBondContact O-N 3.45Å; F375-S377 VanDerWaalsContact C-N 3.34Å; S377-K379 VanDerWaalsContact C-N 3.33Å; S377-W380 PolarHBondContact O-N 2.78Å; S377-W380 PolarHBondContact OG-N 3.13Å; S377-M381 WeakPolarHBondContact O-CG 3.39Å; S377-M381 PolarHBondContact O-N 3.31Å; S377-M381 VanDerWaalsContact O-N 3.09Å |
| 378 | Q | 78 | Confident | 80.3 | Confident | 109 Ų | 109 | 39.3 Ų | 39.3 | 51% | 0.509 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 175.7 | -70 | -176.5 | 42.1 | 0 | 0 | 111.4 | W380 M381 A382 | Q378-W380 PolarHBondContact O-N 2.8Å; Q378-M381 PolarHBondContact O-N 3.48Å; Q378-A382 VanDerWaalsContact O-CB 3.3Å; Q378-A382 WeakPolarHBondContact O-CB 3.47Å; Q378-A382 PolarHBondContact O-N 3.19Å |
| 379 | K | 77.2 | Confident | 78.4 | Confident | 52 Ų | 52 | 42.5 Ų | 42.5 | 23% | 0.226 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.9 | -51.6 | 174.1 | 171.3 | 168.1 | 169.7 | 56.8 | 0 | 110.5 | S377 M381 A382 D383 E477 | S377-K379 VanDerWaalsContact C-N 3.33Å; K379-M381 VanDerWaalsContact C-N 3.27Å; K379-M381 PolarHBondContact O-N 2.84Å; K379-A382 CarbonylContact O-C 3.53Å; K379-A382 PolarHBondContact O-N 2.69Å; K379-D383 WeakPolarHBondContact CG-OD2 3.44Å; K379-D383 IonicContact NZ-OD1 2.73Å; K379-D383 IonicContact NZ-OD2 2.7Å; K379-D383 PolarHBondContact NZ-OD2 2.73Å; K379-D383 WeakPolarHBondContact O-CB 3.47Å; K379-D383 PolarHBondContact O-N 3.47Å; K379-E477 IonicContact NZ-OE1 2.79Å; K379-E477 PolarHBondContact NZ-OE1 3.4Å |
| 380 | W | 83.3 | Confident | 76.3 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 8% | 0.076 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -38.5 | 179.9 | -177.4 | 101.3 | 0 | 0 | 0 | 112.7 | E274 L304 L334 S336 K374 F375 S377 Q378 R384 W386 | E274-W380 HydrophobicContact CB-CH2 4.09Å; E274-W380 HydrophobicContact CB-CZ2 4.45Å; E274-W380 HydrophobicContact CG-CH2 4.05Å; E274-W380 HydrophobicContact CG-CZ2 4.28Å; L304-W380 HydrophobicContact CD1-CH2 4.21Å; L304-W380 HydrophobicContact CD1-CZ3 4.15Å; L334-W380 WeakPolarHBondContact O-CZ2 3.19Å; L334-W380 PolarHBondContact O-NE1 2.84Å; S336-W380 VanDerWaalsContact CB-CZ2 3.47Å; S336-W380 WeakPolarHBondContact OG-CH2 3.44Å; K374-W380 VanDerWaalsContact C-CD2 3.42Å; K374-W380 HydrophobicContact CB-CD2 4.29Å; K374-W380 VanDerWaalsContact O-CB 3.32Å; K374-W380 WeakPolarHBondContact O-CB 3.32Å; F375-W380 HydrophobicContact CB-CE3 4.25Å; F375-W380 HydrophobicContact CB-CZ3 3.97Å; S377-W380 PolarHBondContact O-N 2.78Å; S377-W380 PolarHBondContact OG-N 3.13Å; Q378-W380 PolarHBondContact O-N 2.8Å; W380-R384 VanDerWaalsContact CD1-NH1 3.28Å; W380-R384 VanDerWaalsContact CZ3-CD 3.42Å; W380-R384 WeakPolarHBondContact O-CD 3.34Å; W380-R384 PolarHBondContact O-NH1 3.4Å; W380-W386 HydrophobicContact CH2-CE3 4.44Å; W380-W386 HydrophobicContact CH2-CH2 4.48Å; W380-W386 AromaticContact CH2-CZ3 3.64Å; W380-W386 HydrophobicContact CH2-CZ3 3.64Å; W380-W386 HydrophobicContact CZ3-CE3 4.01Å; W380-W386 AromaticContact CZ3-CZ3 3.65Å; W380-W386 HydrophobicContact CZ3-CZ3 3.65Å |
| 381 | M | 81.1 | Confident | 74.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.6 | -34.3 | 175.6 | -71.5 | -69.7 | -63.1 | 0 | 0 | 112.6 | L304 L305 L308 F375 S377 Q378 K379 W386 L387 | L304-M381 HydrophobicContact CB-CE 4.29Å; L304-M381 HydrophobicContact CB-SD 4.43Å; L305-M381 HydrophobicContact CD2-CE 4.29Å; L308-M381 HydrophobicContact CD1-CE 3.59Å; L308-M381 HydrophobicContact CD1-SD 4.29Å; F375-M381 HydrophobicContact CB-CG 4.48Å; F375-M381 HydrophobicContact CB-SD 3.65Å; F375-M381 WeakPolarHBondContact O-CG 3.34Å; S377-M381 WeakPolarHBondContact O-CG 3.39Å; S377-M381 PolarHBondContact O-N 3.31Å; S377-M381 VanDerWaalsContact O-N 3.09Å; Q378-M381 PolarHBondContact O-N 3.48Å; K379-M381 VanDerWaalsContact C-N 3.27Å; K379-M381 PolarHBondContact O-N 2.84Å; M381-W386 HydrophobicContact CE-CB 3.77Å; M381-W386 HydrophobicContact CE-CE3 4.13Å; M381-W386 PolarHBondContact O-N 2.85Å; M381-W386 HydrophobicContact SD-CE3 4.06Å; M381-L387 HydrophobicContact CB-CB 4.16Å; M381-L387 HydrophobicContact CB-CD1 3.6Å; M381-L387 HydrophobicContact CB-CG 3.86Å; M381-L387 HydrophobicContact CE-CD1 4.35Å; M381-L387 HydrophobicContact CE-CG 4.18Å; M381-L387 HydrophobicContact CG-CD1 4Å; M381-L387 PolarHBondContact O-N 3.01Å |
| 382 | A | 77.3 | Confident | 72.3 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -75.3 | -40.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q378 K379 R384 G385 L387 E389 | Q378-A382 VanDerWaalsContact O-CB 3.3Å; Q378-A382 WeakPolarHBondContact O-CB 3.47Å; Q378-A382 PolarHBondContact O-N 3.19Å; K379-A382 CarbonylContact O-C 3.53Å; K379-A382 PolarHBondContact O-N 2.69Å; A382-R384 PolarHBondContact O-N 3.05Å; A382-G385 PolarHBondContact O-N 3.46Å; A382-L387 VanDerWaalsContact CA-O 3.28Å; A382-L387 WeakPolarHBondContact CA-O 3.26Å; A382-E389 HydrophobicContact CB-CG 3.78Å |
| 383 | D | 77.3 | Confident | 70.4 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 54% | 0.535 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.6 | 173.2 | -66.8 | -19 | 0 | 0 | 0 | 111.8 | K379 | K379-D383 WeakPolarHBondContact CG-OD2 3.44Å; K379-D383 IonicContact NZ-OD1 2.73Å; K379-D383 IonicContact NZ-OD2 2.7Å; K379-D383 PolarHBondContact NZ-OD2 2.73Å; K379-D383 WeakPolarHBondContact O-CB 3.47Å; K379-D383 PolarHBondContact O-N 3.47Å |
| 384 | R | 76.2 | Confident | 68.4 | Low | 21 Ų | 21 | 52.3 Ų | 52.3 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 4.8 | 175.4 | -74.1 | 161.4 | -179.7 | 67.3 | 11.8 | 114.7 | E274 T333 L334 W380 A382 W386 | E274-R384 IonicContact OE1-CZ 3.35Å; E274-R384 IonicContact OE1-NE 2.56Å; E274-R384 PolarHBondContact OE1-NE 2.89Å; E274-R384 IonicContact OE1-NH2 3.54Å; E274-R384 PolarHBondContact OE1-NH2 3.33Å; T333-R384 VanDerWaalsContact C-NH2 3.3Å; T333-R384 PolarHBondContact O-NH2 2.93Å; L334-R384 VanDerWaalsContact CA-NH2 3.33Å; L334-R384 PolarHBondContact O-NH2 3.36Å; L334-R384 VanDerWaalsContact O-NH2 3.11Å; W380-R384 VanDerWaalsContact CD1-NH1 3.28Å; W380-R384 VanDerWaalsContact CZ3-CD 3.42Å; W380-R384 WeakPolarHBondContact O-CD 3.34Å; W380-R384 PolarHBondContact O-NH1 3.4Å; A382-R384 PolarHBondContact O-N 3.05Å; R384-W386 HydrophobicContact CB-CD2 3.86Å; R384-W386 HydrophobicContact CB-CE3 3.89Å; R384-W386 HydrophobicContact CB-CG 4.28Å; R384-W386 HydrophobicContact CB-CZ3 4.22Å; R384-W386 HydrophobicContact CG-CZ3 4.45Å; R384-W386 VanDerWaalsContact O-CD1 3.24Å; R384-W386 PolarHBondContact O-N 2.87Å; R384-W386 PolarHBondContact O-NE1 3.42Å |
| 385 | G | 74.8 | Confident | 66.8 | Low | 32 Ų | 32 | 52.9 Ų | 52.9 | 33% | 0.33 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 15.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A382 | A382-G385 PolarHBondContact O-N 3.46Š|
| 386 | W | 74.1 | Confident | 65.2 | Low | 40 Ų | 40 | 59 Ų | 59 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -92.1 | -21.5 | -177.9 | -64 | -17.3 | 0 | 0 | 0 | 113.7 | E274 D300 R301 L304 W380 M381 R384 | E274-W386 HydrophobicContact CB-CH2 3.92Å; E274-W386 HydrophobicContact CB-CZ3 4.36Å; E274-W386 HydrophobicContact CG-CH2 3.51Å; E274-W386 HydrophobicContact CG-CZ2 4.49Å; E274-W386 HydrophobicContact CG-CZ3 4.1Å; D300-W386 HydrophobicContact CB-CH2 3.35Å; D300-W386 HydrophobicContact CB-CZ2 3.56Å; D300-W386 HydrophobicContact CB-CZ3 4.25Å; R301-W386 HydrophobicContact CB-CD2 4.39Å; R301-W386 HydrophobicContact CB-CG 4.22Å; R301-W386 HydrophobicContact CG-CB 4.43Å; R301-W386 HydrophobicContact CG-CG 4.01Å; L304-W386 HydrophobicContact CD1-CE3 3.62Å; L304-W386 HydrophobicContact CD1-CH2 3.78Å; L304-W386 HydrophobicContact CD1-CZ3 3.05Å; L304-W386 HydrophobicContact CG-CZ3 4.48Å; W380-W386 HydrophobicContact CH2-CE3 4.44Å; W380-W386 HydrophobicContact CH2-CH2 4.48Å; W380-W386 AromaticContact CH2-CZ3 3.64Å; W380-W386 HydrophobicContact CH2-CZ3 3.64Å; W380-W386 HydrophobicContact CZ3-CE3 4.01Å; W380-W386 AromaticContact CZ3-CZ3 3.65Å; W380-W386 HydrophobicContact CZ3-CZ3 3.65Å; M381-W386 HydrophobicContact CE-CB 3.77Å; M381-W386 HydrophobicContact CE-CE3 4.13Å; M381-W386 PolarHBondContact O-N 2.85Å; M381-W386 HydrophobicContact SD-CE3 4.06Å; R384-W386 HydrophobicContact CB-CD2 3.86Å; R384-W386 HydrophobicContact CB-CE3 3.89Å; R384-W386 HydrophobicContact CB-CG 4.28Å; R384-W386 HydrophobicContact CB-CZ3 4.22Å; R384-W386 HydrophobicContact CG-CZ3 4.45Å; R384-W386 VanDerWaalsContact O-CD1 3.24Å; R384-W386 PolarHBondContact O-N 2.87Å; R384-W386 PolarHBondContact O-NE1 3.42Å |
| 387 | L | 67.8 | Low | 64.2 | Low | 13 Ų | 13 | 63.4 Ų | 63.4 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -126.2 | 140.3 | 166.1 | -66.4 | 177.3 | 0 | 0 | 0 | 109 | L305 Y321 A324 M381 A382 | L305-L387 HydrophobicContact CD2-CD2 3.96Å; Y321-L387 HydrophobicContact CE2-CD1 4.03Å; Y321-L387 HydrophobicContact CE2-CD2 3.9Å; A324-L387 VanDerWaalsContact O-CD2 3.29Å; A324-L387 WeakPolarHBondContact O-CD2 3.19Å; M381-L387 HydrophobicContact CB-CB 4.16Å; M381-L387 HydrophobicContact CB-CD1 3.6Å; M381-L387 HydrophobicContact CB-CG 3.86Å; M381-L387 HydrophobicContact CE-CD1 4.35Å; M381-L387 HydrophobicContact CE-CG 4.18Å; M381-L387 HydrophobicContact CG-CD1 4Å; M381-L387 PolarHBondContact O-N 3.01Å; A382-L387 VanDerWaalsContact CA-O 3.28Å; A382-L387 WeakPolarHBondContact CA-O 3.26Å |
| 388 | S | 56.7 | Low | 63.6 | Low | 42 Ų | 42 | 63.4 Ų | 63.4 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | trans | -82.7 | 131.1 | 165.9 | 44.1 | 0 | 0 | 0 | 0 | 108.7 | Q325 Q390 | Q325-S388 PolarHBondContact O-OG 3.23Å; Q325-S388 VanDerWaalsContact O-OG 3.09Å; S388-Q390 VanDerWaalsContact C-N 3.34Å; S388-Q390 PolarHBondContact O-N 2.93Å | ||
| 389 | E | 50.9 | Low | 63.7 | Low | 92 Ų | 92 | 61.6 Ų | 61.6 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | trans | -65 | 98.7 | 164.2 | -74.7 | -171.9 | 167.8 | 0 | 0 | 108 | A382 | A382-E389 HydrophobicContact CB-CG 3.78Š| ||
| 390 | Q | 46.3 | Very low | 63.6 | Low | 135 Ų | 135 | 60 Ų | 60 | 63% | 0.631 | 36% | 0.355 | S | S | * | . | trans | -81.3 | 128.2 | 166.2 | -73.7 | -89.1 | -39.8 | 0 | 0 | 107.3 | A324 S388 T392 | A324-Q390 HydrophobicContact CB-CG 3.96Å; S388-Q390 VanDerWaalsContact C-N 3.34Å; S388-Q390 PolarHBondContact O-N 2.93Å; Q390-T392 PolarHBondContact O-N 2.97Å | ||
| 391 | P | 44.1 | Very low | 63.4 | Low | 46 Ų | 46 | 65.6 Ų | 65.6 | 30% | 0.299 | 38% | 0.382 | S | S | . | . | trans | -46.6 | 118.9 | 167 | -30.7 | 37.6 | 0 | 0 | 0 | 110.1 | N393 V486 | P391-N393 PolarHBondContact O-N 3.43Å; P391-V486 HydrophobicContact CB-CG2 3.89Å; P391-V486 HydrophobicContact CG-CG1 4.18Å; P391-V486 HydrophobicContact CG-CG2 4.08Å | ||
| 392 | T | 47.8 | Very low | 63.6 | Low | 87 Ų | 87 | 71.1 Ų | 71.1 | 53% | 0.534 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -66 | 101.8 | 173.9 | 48.4 | 0 | 0 | 0 | 0 | 108.4 | Q390 E490 | Q390-T392 PolarHBondContact O-N 2.97Å; T392-E490 PolarHBondContact OG1-OE1 3.35Å |
| 393 | N | 47.7 | Very low | 64 | Low | 147 Ų | 147 | 74.2 Ų | 74.2 | 79% | 0.786 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 57.6 | 117.5 | -177.4 | -65.4 | -30.2 | 0 | 0 | 0 | 114.7 | P391 S395 Q400 | P391-N393 PolarHBondContact O-N 3.43Å; N393-S395 PolarHBondContact O-N 3.26Å; N393-Q400 PolarHBondContact O-NE2 3.05Å |
| 394 | G | 43 | Very low | 64.4 | Low | 64 Ų | 64 | 69.6 Ų | 69.6 | 66% | 0.66 | 39% | 0.388 | S | S | * | . | trans | -48.4 | 109.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q400 | G394-Q400 VanDerWaalsContact CA-OE1 3.23Š| ||
| 395 | S | 47.6 | Very low | 64.8 | Low | 24 Ų | 24 | 72 Ų | 72 | 17% | 0.168 | 40% | 0.403 | C | S | . | . | trans | -63.3 | 138.3 | 170.9 | 74 | 0 | 0 | 0 | 0 | 106.6 | N393 D397 G398 W399 Q400 | N393-S395 PolarHBondContact O-N 3.26Å; S395-D397 PolarHBondContact O-N 2.72Å; S395-G398 PolarHBondContact O-N 3.05Å; S395-W399 VanDerWaalsContact CB-NE1 3.29Å; S395-W399 PolarHBondContact OG-NE1 2.94Å; S395-Q400 VanDerWaalsContact N-CD 3.29Å | ||
| 396 | P | 51.6 | Low | 65.3 | Low | 131 Ų | 131 | 74.4 Ų | 74.4 | 85% | 0.851 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -22 | 179.8 | -21.9 | 31.1 | 0 | 0 | 0 | 113.7 | ||
| 397 | D | 61.8 | Low | 65.7 | Low | 117 Ų | 117 | 74.7 Ų | 74.7 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 1.4 | -164.8 | -22.3 | -34.2 | 0 | 0 | 0 | 113.3 | S395 W399 | S395-D397 PolarHBondContact O-N 2.72Å; D397-W399 PolarHBondContact O-N 3.34Å |
| 398 | G | 70.7 | Confident | 66.3 | Low | 39 Ų | 39 | 80.3 Ų | 80.3 | 40% | 0.402 | 46% | 0.455 | S | S | . | . | trans | 63.7 | 6.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S395 Q400 Q401 | S395-G398 PolarHBondContact O-N 3.05Å; G398-Q400 PolarHBondContact O-N 2.82Å; G398-Q401 PolarHBondContact O-N 3.23Å | ||
| 399 | W | 80 | Confident | 67.1 | Low | 70 Ų | 70 | 79.6 Ų | 79.6 | 27% | 0.265 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -62.5 | -29.9 | -176.5 | 67.5 | -101.8 | 0 | 0 | 0 | 112.4 | S395 D397 Q401 K402 I485 H489 | S395-W399 VanDerWaalsContact CB-NE1 3.29Å; S395-W399 PolarHBondContact OG-NE1 2.94Å; D397-W399 PolarHBondContact O-N 3.34Å; W399-Q401 PolarHBondContact O-N 3.34Å; W399-Q401 VanDerWaalsContact O-N 3.17Å; W399-K402 WeakPolarHBondContact O-CB 3.4Å; W399-K402 PolarHBondContact O-N 2.77Å; W399-I485 HydrophobicContact CE3-CB 4.16Å; W399-I485 HydrophobicContact CE3-CG2 3.61Å; W399-I485 HydrophobicContact CZ3-CB 4.42Å; W399-I485 HydrophobicContact CZ3-CG2 3.71Å; W399-H489 HydrophobicContact CH2-CB 3.82Å; W399-H489 AromaticContact CH2-CD2 3.86Å; W399-H489 AromaticContact CH2-CG 3.63Å; W399-H489 HydrophobicContact CZ3-CB 3.88Å |
| 400 | Q | 75.5 | Confident | 68.3 | Low | 19 Ų | 19 | 79.7 Ų | 79.7 | 9% | 0.089 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -54.5 | -35.1 | 179.9 | -72.5 | 167 | -26 | 0 | 0 | 113.6 | N393 G394 S395 G398 V486 | N393-Q400 PolarHBondContact O-NE2 3.05Å; G394-Q400 VanDerWaalsContact CA-OE1 3.23Å; S395-Q400 VanDerWaalsContact N-CD 3.29Å; G398-Q400 PolarHBondContact O-N 2.82Å; Q400-V486 HydrophobicContact CB-CB 3.76Å; Q400-V486 HydrophobicContact CB-CG1 4.4Å; Q400-V486 HydrophobicContact CB-CG2 4.23Å; Q400-V486 HydrophobicContact CG-CB 4.06Å; Q400-V486 HydrophobicContact CG-CG2 4.08Å; Q400-V486 WeakPolarHBondContact O-CB 3.33Å; Q400-V486 VanDerWaalsContact O-CG1 3.27Å; Q400-V486 WeakPolarHBondContact O-CG1 3.5Å; Q400-V486 PolarHBondContact O-N 3.36Å; Q400-V486 VanDerWaalsContact O-N 3.07Å |
| 401 | Q | 78.8 | Confident | 69.9 | Low | 138 Ų | 138 | 78 Ų | 78 | 65% | 0.645 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -94.1 | -7.9 | -178.5 | -63.9 | -65.6 | -16.4 | 0 | 0 | 113.2 | G398 W399 | G398-Q401 PolarHBondContact O-N 3.23Å; W399-Q401 PolarHBondContact O-N 3.34Å; W399-Q401 VanDerWaalsContact O-N 3.17Å |
| 402 | K | 85.1 | Confident | 71.9 | Confident | 116 Ų | 116 | 76.8 Ų | 76.8 | 50% | 0.504 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -65.9 | 151 | 173.1 | -67.9 | -176.2 | -178.8 | 178.3 | 0 | 108.9 | W399 P484 I485 | W399-K402 WeakPolarHBondContact O-CB 3.4Å; W399-K402 PolarHBondContact O-N 2.77Å; K402-P484 CarbonylContact O-C 3.54Å; K402-P484 WeakPolarHBondContact O-CA 3.28Å; K402-I485 HydrophobicContact CB-CD1 3.73Å; K402-I485 HydrophobicContact CB-CG1 4.45Å; K402-I485 WeakPolarHBondContact O-CG1 3.4Å; K402-I485 PolarHBondContact O-N 3.14Å |
| 403 | R | 86.3 | Confident | 73.9 | Confident | 85 Ų | 85 | 73.2 Ų | 73.2 | 32% | 0.321 | 42% | 0.424 | S | S | . | . | B | Isolated β-bridge | trans | -84.8 | 149.2 | 178.9 | -67.5 | 173.4 | 58.5 | -117.8 | -16.5 | 109.8 | D405 T406 K482 C483 | R403-D405 WeakPolarHBondContact CB-OD1 3.22Å; R403-D405 VanDerWaalsContact CZ-CG 3.42Å; R403-D405 IonicContact CZ-OD1 3Å; R403-D405 VanDerWaalsContact CZ-OD1 3.28Å; R403-D405 IonicContact CZ-OD2 2.67Å; R403-D405 IonicContact NE-OD1 3.28Å; R403-D405 VanDerWaalsContact NH1-CG 3.33Å; R403-D405 IonicContact NH1-OD1 2.7Å; R403-D405 PolarHBondContact NH1-OD1 3.32Å; R403-D405 IonicContact NH1-OD2 3.47Å; R403-D405 PolarHBondContact NH1-OD2 2.93Å; R403-D405 IonicContact NH2-OD1 2.68Å; R403-D405 PolarHBondContact NH2-OD1 2.85Å; R403-D405 IonicContact NH2-OD2 3.45Å; R403-D405 PolarHBondContact NH2-OD2 3.24Å; R403-D405 PolarHBondContact O-N 3.28Å; R403-T406 HydrophobicContact CB-CG2 4.41Å; R403-T406 WeakPolarHBondContact O-CB 3.36Å; R403-T406 PolarHBondContact O-N 2.83Å; R403-T406 PolarHBondContact O-OG1 3.19Å; R403-K482 VanDerWaalsContact NE-CA 3.33Å; R403-C483 WeakPolarHBondContact CA-O 3.31Å |
| 404 | V | 84.8 | Confident | 76 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.024 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -58.3 | -33.4 | 179.8 | 173.2 | 0 | 0 | 0 | 0 | 112.1 | T406 L407 C483 I485 V488 V500 | V404-T406 PolarHBondContact O-N 3.23Å; V404-L407 WeakPolarHBondContact O-CB 3.33Å; V404-L407 PolarHBondContact O-N 3.26Å; V404-C483 HydrophobicContact CG2-CB 4.22Å; V404-C483 VanDerWaalsContact CG2-O 3.24Å; V404-C483 WeakPolarHBondContact CG2-O 3.27Å; V404-C483 PolarHBondContact N-O 3.21Å; V404-I485 HydrophobicContact CG2-CG1 4.33Å; V404-V488 HydrophobicContact CG2-CB 4.3Å; V404-V488 HydrophobicContact CG2-CG2 3.34Å; V404-V500 HydrophobicContact CG1-CB 4.25Å; V404-V500 HydrophobicContact CG1-CG1 3.73Å; V404-V500 HydrophobicContact CG1-CG2 3.48Å; V404-V500 VanDerWaalsContact CG1-CG2 3.48Å |
| 405 | D | 85.8 | Confident | 78.4 | Confident | 72 Ų | 72 | 66.1 Ų | 66.1 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -63.4 | -9 | 174.5 | 74.6 | -21.1 | 0 | 0 | 0 | 115.1 | R403 E481 | R403-D405 WeakPolarHBondContact CB-OD1 3.22Å; R403-D405 VanDerWaalsContact CZ-CG 3.42Å; R403-D405 IonicContact CZ-OD1 3Å; R403-D405 VanDerWaalsContact CZ-OD1 3.28Å; R403-D405 IonicContact CZ-OD2 2.67Å; R403-D405 IonicContact NE-OD1 3.28Å; R403-D405 VanDerWaalsContact NH1-CG 3.33Å; R403-D405 IonicContact NH1-OD1 2.7Å; R403-D405 PolarHBondContact NH1-OD1 3.32Å; R403-D405 IonicContact NH1-OD2 3.47Å; R403-D405 PolarHBondContact NH1-OD2 2.93Å; R403-D405 IonicContact NH2-OD1 2.68Å; R403-D405 PolarHBondContact NH2-OD1 2.85Å; R403-D405 IonicContact NH2-OD2 3.45Å; R403-D405 PolarHBondContact NH2-OD2 3.24Å; R403-D405 PolarHBondContact O-N 3.28Å; D405-E481 HydrophobicContact CB-CB 4.22Å; D405-E481 WeakPolarHBondContact CB-O 3.45Å; D405-E481 PolarHBondContact N-O 2.94Å |
| 406 | T | 84.9 | Confident | 80.6 | Confident | 82 Ų | 82 | 68.1 Ų | 68.1 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -84.9 | -11.5 | 171.8 | 70.1 | 0 | 0 | 0 | 0 | 113.4 | R403 V404 | R403-T406 HydrophobicContact CB-CG2 4.41Å; R403-T406 WeakPolarHBondContact O-CB 3.36Å; R403-T406 PolarHBondContact O-N 2.83Å; R403-T406 PolarHBondContact O-OG1 3.19Å; V404-T406 PolarHBondContact O-N 3.23Å |
| 407 | L | 83.4 | Confident | 82.5 | Confident | 46 Ų | 46 | 64 Ų | 64 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -79.4 | 140.1 | 175.1 | -64.5 | 173 | 0 | 0 | 0 | 110.1 | V404 V409 I485 A513 F515 | V404-L407 WeakPolarHBondContact O-CB 3.33Å; V404-L407 PolarHBondContact O-N 3.26Å; L407-V409 HydrophobicContact CB-CG1 4.46Å; L407-V409 WeakPolarHBondContact O-CG2 3.44Å; L407-I485 HydrophobicContact CD1-CD1 4Å; L407-I485 HydrophobicContact CD1-CG1 4.09Å; L407-I485 HydrophobicContact CD1-CG2 4.5Å; L407-I485 HydrophobicContact CD2-CD1 3.83Å; L407-I485 HydrophobicContact CG-CD1 3.77Å; L407-I485 HydrophobicContact CG-CG1 4.34Å; L407-A513 HydrophobicContact CD1-CB 4.4Å; L407-F515 HydrophobicContact CD1-CE2 4.17Å; L407-F515 HydrophobicContact CD1-CZ 4.45Å; L407-F515 HydrophobicContact CD2-CZ 4.43Å |
| 408 | S | 79.3 | Confident | 84 | Confident | 130 Ų | 130 | 64.7 Ų | 64.7 | 91% | 0.909 | 35% | 0.353 | S | S | * | . | trans | -84.4 | 112.7 | 166.9 | -70 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 409 | V | 73.1 | Confident | 85 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | trans | -132.6 | 131.3 | -172.5 | -93.9 | 0 | 0 | 0 | 0 | 109.5 | L407 F511 V512 A513 | L407-V409 HydrophobicContact CB-CG1 4.46Å; L407-V409 WeakPolarHBondContact O-CG2 3.44Å; V409-F511 HydrophobicContact CB-CB 3.83Å; V409-F511 HydrophobicContact CB-CD1 3.99Å; V409-F511 HydrophobicContact CB-CG 4.31Å; V409-F511 HydrophobicContact CG2-CB 3.44Å; V409-F511 VanDerWaalsContact CG2-CB 3.44Å; V409-F511 HydrophobicContact CG2-CD1 3.46Å; V409-F511 VanDerWaalsContact CG2-CD1 3.46Å; V409-F511 HydrophobicContact CG2-CE1 4.37Å; V409-F511 HydrophobicContact CG2-CG 3.62Å; V409-V512 WeakPolarHBondContact CG1-O 3.28Å; V409-A513 VanDerWaalsContact CG1-CA 3.43Å; V409-A513 HydrophobicContact CG1-CB 3.56Å | ||
| 410 | D | 75.8 | Confident | 85.5 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 144.8 | 179.2 | -50 | -58.5 | 0 | 0 | 0 | 110.4 | K434 | D410-K434 VanDerWaalsContact CB-NZ 3.33Å; D410-K434 IonicContact OD2-NZ 3.47Å; D410-K434 PolarHBondContact OD2-NZ 2.86Å |
| 411 | P | 80.6 | Confident | 86.1 | Confident | 100 Ų | 100 | 63.7 Ų | 63.7 | 65% | 0.649 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 146.3 | 175.6 | 23.4 | -32.2 | 0 | 0 | 0 | 110.9 | ||
| 412 | P | 85.4 | Confident | 86.5 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 155.2 | 177.4 | 27.1 | -32 | 0 | 0 | 0 | 111.2 | F414 F437 T510 | P412-F414 HydrophobicContact CB-CE2 4Å; P412-F414 HydrophobicContact CB-CZ 3.95Å; P412-F414 HydrophobicContact CG-CD2 4.21Å; P412-F414 HydrophobicContact CG-CE1 4.47Å; P412-F414 HydrophobicContact CG-CE2 3.31Å; P412-F414 HydrophobicContact CG-CZ 3.43Å; P412-F414 VanDerWaalsContact CG-CZ 3.43Å; P412-F437 HydrophobicContact CB-CD2 3.68Å; P412-F437 HydrophobicContact CB-CE2 3.97Å; P412-T510 WeakPolarHBondContact CB-O 3.13Å; P412-T510 WeakPolarHBondContact CD-O 3.34Å; P412-T510 WeakPolarHBondContact CG-O 3.35Å |
| 413 | V | 90.9 | Very high | 86.8 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 125.3 | 167 | 179.9 | 0 | 0 | 0 | 0 | 108.6 | L427 K430 A431 I436 F437 | V413-L427 HydrophobicContact CG1-CB 4.02Å; V413-L427 HydrophobicContact CG1-CD2 3.59Å; V413-L427 HydrophobicContact CG1-CG 4.26Å; V413-K430 HydrophobicContact CG2-CB 4.26Å; V413-K430 HydrophobicContact CG2-CD 4.34Å; V413-K430 HydrophobicContact CG2-CG 3.97Å; V413-A431 HydrophobicContact CB-CB 4Å; V413-A431 HydrophobicContact CG2-CB 3.85Å; V413-I436 HydrophobicContact CG1-CG2 4.39Å; V413-I436 WeakPolarHBondContact O-CA 3.44Å; V413-F437 PolarHBondContact O-N 2.86Å |
| 414 | F | 92.4 | Very high | 87 | Confident | 61 Ų | 61 | 55.1 Ų | 55.1 | 27% | 0.268 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 146.8 | 175.1 | -65.1 | -78.3 | 0 | 0 | 0 | 111.3 | P412 F437 L439 A508 | P412-F414 HydrophobicContact CB-CE2 4Å; P412-F414 HydrophobicContact CB-CZ 3.95Å; P412-F414 HydrophobicContact CG-CD2 4.21Å; P412-F414 HydrophobicContact CG-CE1 4.47Å; P412-F414 HydrophobicContact CG-CE2 3.31Å; P412-F414 HydrophobicContact CG-CZ 3.43Å; P412-F414 VanDerWaalsContact CG-CZ 3.43Å; F414-F437 CarbonylContact C-O 3.59Å; F414-F437 WeakPolarHBondContact CA-O 3.32Å; F414-F437 HydrophobicContact CD1-CB 3.56Å; F414-F437 HydrophobicContact CE1-CB 3.6Å; F414-F437 HydrophobicContact CE1-CG 4.31Å; F414-L439 HydrophobicContact CB-CD1 4.08Å; F414-L439 HydrophobicContact CB-CG 4.23Å; F414-L439 HydrophobicContact CD1-CD1 4.39Å; F414-L439 HydrophobicContact CD1-CD2 3.65Å; F414-L439 HydrophobicContact CD1-CG 3.94Å; F414-L439 HydrophobicContact CE1-CD2 4.07Å; F414-L439 HydrophobicContact CG-CD1 4.35Å; F414-L439 HydrophobicContact CG-CD2 4.39Å; F414-L439 HydrophobicContact CG-CG 4.36Å; F414-A508 HydrophobicContact CE1-CB 3.67Å; F414-A508 HydrophobicContact CE2-CB 4.15Å; F414-A508 HydrophobicContact CZ-CB 3.43Å; F414-A508 VanDerWaalsContact CZ-CB 3.43Å |
| 415 | A | 93.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 142.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V419 L424 L427 I436 F437 V438 L439 | A415-V419 HydrophobicContact CB-CB 3.98Å; A415-V419 HydrophobicContact CB-CG1 3.9Å; A415-V419 HydrophobicContact CB-CG2 4.02Å; A415-L424 HydrophobicContact CB-CD2 4.13Å; A415-L427 HydrophobicContact CB-CD1 3.75Å; A415-I436 HydrophobicContact CB-CG2 3.72Å; A415-F437 PolarHBondContact N-O 3.34Å; A415-V438 WeakPolarHBondContact O-CA 3.36Å; A415-L439 PolarHBondContact O-N 3.01Å |
| 416 | P | 93.6 | Very high | 87.3 | Confident | 65 Ų | 65 | 61.8 Ų | 61.8 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | trans | -67.7 | 157.7 | 169.6 | 31.8 | -35.6 | 0 | 0 | 0 | 110.6 | N418 V419 | P416-N418 WeakPolarHBondContact CB-OD1 3.4Å; P416-N418 PolarHBondContact O-N 3.35Å; P416-V419 HydrophobicContact CG-CB 4.26Å; P416-V419 VanDerWaalsContact O-CB 3.22Å; P416-V419 WeakPolarHBondContact O-CB 3.15Å; P416-V419 WeakPolarHBondContact O-CG1 3.24Å; P416-V419 PolarHBondContact O-N 3.4Å | ||
| 417 | F | 92 | Very high | 87.6 | Confident | 44 Ų | 44 | 59.6 Ų | 59.6 | 19% | 0.193 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -34.7 | -179.4 | -163.6 | -109 | 0 | 0 | 0 | 113.5 | V419 V438 L439 E441 V447 V468 E469 | F417-V419 VanDerWaalsContact C-N 3.25Å; F417-V419 PolarHBondContact O-N 2.97Å; F417-V438 HydrophobicContact CD2-CG1 4.08Å; F417-L439 WeakPolarHBondContact CA-O 3.21Å; F417-L439 VanDerWaalsContact CB-O 3.29Å; F417-L439 WeakPolarHBondContact CB-O 3.49Å; F417-L439 PolarHBondContact N-O 3.14Å; F417-E441 HydrophobicContact CB-CG 4.12Å; F417-E441 HydrophobicContact CD1-CG 3.59Å; F417-E441 HydrophobicContact CE1-CG 4.25Å; F417-E441 HydrophobicContact CG-CG 4.01Å; F417-V447 HydrophobicContact CD2-CG2 3.93Å; F417-V447 HydrophobicContact CE2-CG2 4.08Å; F417-V468 HydrophobicContact CD2-CG1 4.42Å; F417-V468 VanDerWaalsContact O-CG1 3.25Å; F417-V468 WeakPolarHBondContact O-CG1 3.22Å; F417-E469 HydrophobicContact CE2-CG 4.03Å; F417-E469 HydrophobicContact CZ-CG 3.63Å; F417-E469 WeakPolarHBondContact CZ-OE1 3.25Å |
| 418 | N | 92 | Very high | 87.7 | Confident | 132 Ų | 132 | 58.8 Ų | 58.8 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 20.4 | 179.4 | 68.8 | -14.2 | 0 | 0 | 0 | 113.9 | P416 T420 | P416-N418 WeakPolarHBondContact CB-OD1 3.4Å; P416-N418 PolarHBondContact O-N 3.35Å; N418-T420 PolarHBondContact O-N 3.41Å |
| 419 | V | 91.9 | Very high | 88 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | trans | -60.8 | 133.1 | -179.4 | 67.4 | 0 | 0 | 0 | 0 | 111.1 | A415 P416 F417 Q423 L424 L427 F466 V468 | A415-V419 HydrophobicContact CB-CB 3.98Å; A415-V419 HydrophobicContact CB-CG1 3.9Å; A415-V419 HydrophobicContact CB-CG2 4.02Å; P416-V419 HydrophobicContact CG-CB 4.26Å; P416-V419 VanDerWaalsContact O-CB 3.22Å; P416-V419 WeakPolarHBondContact O-CB 3.15Å; P416-V419 WeakPolarHBondContact O-CG1 3.24Å; P416-V419 PolarHBondContact O-N 3.4Å; F417-V419 VanDerWaalsContact C-N 3.25Å; F417-V419 PolarHBondContact O-N 2.97Å; V419-Q423 HydrophobicContact CG2-CB 3.53Å; V419-L424 HydrophobicContact CB-CG 4.37Å; V419-L424 HydrophobicContact CG1-CD1 3.77Å; V419-L424 HydrophobicContact CG1-CD2 3.95Å; V419-L424 HydrophobicContact CG1-CG 3.66Å; V419-L424 HydrophobicContact CG2-CD2 4.26Å; V419-L424 HydrophobicContact CG2-CG 3.79Å; V419-L427 HydrophobicContact CG2-CD1 4.33Å; V419-F466 WeakPolarHBondContact O-CE1 3.42Å; V419-V468 HydrophobicContact CG1-CB 4.04Å; V419-V468 HydrophobicContact CG1-CG2 3.99Å | ||
| 420 | T | 90 | Very high | 88.6 | Confident | 62 Ų | 62 | 67.7 Ų | 67.7 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | trans | -79.5 | 156.5 | 174.7 | 60.6 | 0 | 0 | 0 | 0 | 111.3 | N418 S422 Q423 L424 | N418-T420 PolarHBondContact O-N 3.41Å; T420-S422 PolarHBondContact O-N 3.09Å; T420-S422 PolarHBondContact OG1-OG 3.13Å; T420-Q423 PolarHBondContact O-N 3.15Å; T420-Q423 WeakPolarHBondContact OG1-CB 3.34Å; T420-Q423 WeakPolarHBondContact OG1-CG 3.39Å; T420-Q423 PolarHBondContact OG1-N 2.94Å; T420-Q423 PolarHBondContact OG1-OE1 3.37Å; T420-L424 PolarHBondContact O-N 2.97Å | ||
| 421 | Y | 88.9 | Confident | 89.2 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.9 | -38.3 | 176.3 | -175.5 | -98.2 | 0 | 0 | 0 | 112.4 | L424 L425 L455 M458 P461 F466 | Y421-L424 PolarHBondContact O-N 3.28Å; Y421-L425 HydrophobicContact CD1-CD1 3.79Å; Y421-L425 HydrophobicContact CD1-CG 4.36Å; Y421-L425 HydrophobicContact CE1-CD1 3.34Å; Y421-L425 HydrophobicContact CE1-CG 3.98Å; Y421-L425 PolarHBondContact O-N 3.14Å; Y421-L455 HydrophobicContact CD2-CD2 3.86Å; Y421-L455 HydrophobicContact CE2-CD2 3.62Å; Y421-L455 PolarHBondContact OH-O 3.06Å; Y421-M458 HydrophobicContact CD2-SD 4.49Å; Y421-M458 HydrophobicContact CE2-CB 4.18Å; Y421-M458 HydrophobicContact CE2-SD 4.3Å; Y421-M458 PolarHBondContact OH-O 2.82Å; Y421-P461 HydrophobicContact CD1-CG 4.2Å; Y421-P461 HydrophobicContact CD2-CG 3.7Å; Y421-P461 HydrophobicContact CE1-CG 4.49Å; Y421-P461 HydrophobicContact CE2-CG 4.05Å; Y421-P461 HydrophobicContact CG-CG 3.8Å; Y421-F466 HydrophobicContact CD2-CD2 4.03Å; Y421-F466 AromaticContact CD2-CE2 3.9Å; Y421-F466 HydrophobicContact CD2-CE2 3.9Å; Y421-F466 HydrophobicContact CD2-CZ 4.32Å |
| 422 | S | 87.3 | Confident | 89.3 | Confident | 71 Ų | 71 | 64.3 Ų | 64.3 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.4 | -37.2 | 176.5 | 50.9 | 0 | 0 | 0 | 0 | 113 | T420 Q426 | T420-S422 PolarHBondContact O-N 3.09Å; T420-S422 PolarHBondContact OG1-OG 3.13Å; S422-Q426 WeakPolarHBondContact O-CG 3.19Å; S422-Q426 PolarHBondContact O-N 3.32Å; S422-Q426 VanDerWaalsContact O-N 3.14Å |
| 423 | Q | 90.6 | Very high | 89 | Confident | 87 Ų | 87 | 69.4 Ų | 69.4 | 41% | 0.407 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 173.1 | -74.7 | 165 | -32.9 | 0 | 0 | 111.5 | V419 T420 L425 Q426 L427 | V419-Q423 HydrophobicContact CG2-CB 3.53Å; T420-Q423 PolarHBondContact O-N 3.15Å; T420-Q423 WeakPolarHBondContact OG1-CB 3.34Å; T420-Q423 WeakPolarHBondContact OG1-CG 3.39Å; T420-Q423 PolarHBondContact OG1-N 2.94Å; T420-Q423 PolarHBondContact OG1-OE1 3.37Å; Q423-L425 PolarHBondContact O-N 2.97Å; Q423-Q426 WeakPolarHBondContact O-CB 3.44Å; Q423-Q426 PolarHBondContact O-N 2.95Å; Q423-Q426 VanDerWaalsContact O-N 3.12Å; Q423-L427 WeakPolarHBondContact O-CG 3.25Å; Q423-L427 PolarHBondContact O-N 3.45Å |
| 424 | L | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 174 | -82.3 | 169.7 | 0 | 0 | 0 | 111.9 | A415 V419 T420 Y421 Q426 L427 T428 I436 L455 F466 V468 I471 | A415-L424 HydrophobicContact CB-CD2 4.13Å; V419-L424 HydrophobicContact CB-CG 4.37Å; V419-L424 HydrophobicContact CG1-CD1 3.77Å; V419-L424 HydrophobicContact CG1-CD2 3.95Å; V419-L424 HydrophobicContact CG1-CG 3.66Å; V419-L424 HydrophobicContact CG2-CD2 4.26Å; V419-L424 HydrophobicContact CG2-CG 3.79Å; T420-L424 PolarHBondContact O-N 2.97Å; Y421-L424 PolarHBondContact O-N 3.28Å; L424-Q426 PolarHBondContact O-N 2.99Å; L424-L427 CarbonylContact O-C 3.59Å; L424-L427 PolarHBondContact O-N 3.04Å; L424-L427 VanDerWaalsContact O-N 3.07Å; L424-T428 PolarHBondContact O-N 3.15Å; L424-I436 HydrophobicContact CD2-CB 4.48Å; L424-I436 HydrophobicContact CD2-CD1 4.01Å; L424-I436 HydrophobicContact CD2-CG2 4.05Å; L424-L455 HydrophobicContact CB-CD1 4.11Å; L424-L455 HydrophobicContact CB-CD2 3.8Å; L424-L455 HydrophobicContact CD1-CD2 4.16Å; L424-F466 HydrophobicContact CD1-CE1 3.72Å; L424-F466 HydrophobicContact CD1-CZ 3.5Å; L424-F466 VanDerWaalsContact CD1-CZ 3.5Å; L424-V468 HydrophobicContact CD1-CG2 4Å; L424-I471 HydrophobicContact CD1-CD1 4.27Å |
| 425 | L | 87.3 | Confident | 88.7 | Confident | 76 Ų | 76 | 67.2 Ų | 67.2 | 40% | 0.398 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.2 | -26.7 | 174.4 | -81.3 | 175.3 | 0 | 0 | 0 | 113.9 | Y421 Q423 T428 | Y421-L425 HydrophobicContact CD1-CD1 3.79Å; Y421-L425 HydrophobicContact CD1-CG 4.36Å; Y421-L425 HydrophobicContact CE1-CD1 3.34Å; Y421-L425 HydrophobicContact CE1-CG 3.98Å; Y421-L425 PolarHBondContact O-N 3.14Å; Q423-L425 PolarHBondContact O-N 2.97Å; L425-T428 PolarHBondContact O-OG1 2.85Å |
| 426 | Q | 88.9 | Confident | 88.6 | Confident | 140 Ų | 140 | 67.2 Ų | 67.2 | 65% | 0.654 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -77.6 | -38 | 171.5 | -72 | 176.6 | 1.6 | 0 | 0 | 111 | S422 Q423 L424 T428 K429 | S422-Q426 WeakPolarHBondContact O-CG 3.19Å; S422-Q426 PolarHBondContact O-N 3.32Å; S422-Q426 VanDerWaalsContact O-N 3.14Å; Q423-Q426 WeakPolarHBondContact O-CB 3.44Å; Q423-Q426 PolarHBondContact O-N 2.95Å; Q423-Q426 VanDerWaalsContact O-N 3.12Å; L424-Q426 PolarHBondContact O-N 2.99Å; Q426-T428 VanDerWaalsContact C-N 3.34Å; Q426-T428 PolarHBondContact O-N 3.17Å; Q426-K429 PolarHBondContact O-N 3.4Å |
| 427 | L | 91.4 | Very high | 88.6 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.5 | -29.5 | 178.7 | -72.1 | 170.9 | 0 | 0 | 0 | 112.7 | V413 A415 V419 Q423 L424 K429 K430 A431 I436 | V413-L427 HydrophobicContact CG1-CB 4.02Å; V413-L427 HydrophobicContact CG1-CD2 3.59Å; V413-L427 HydrophobicContact CG1-CG 4.26Å; A415-L427 HydrophobicContact CB-CD1 3.75Å; V419-L427 HydrophobicContact CG2-CD1 4.33Å; Q423-L427 WeakPolarHBondContact O-CG 3.25Å; Q423-L427 PolarHBondContact O-N 3.45Å; L424-L427 CarbonylContact O-C 3.59Å; L424-L427 PolarHBondContact O-N 3.04Å; L424-L427 VanDerWaalsContact O-N 3.07Å; L427-K429 VanDerWaalsContact C-N 3.25Å; L427-K429 PolarHBondContact O-N 2.95Å; L427-K430 CarbonylContact O-C 3.54Å; L427-K430 WeakPolarHBondContact O-CA 3.33Å; L427-K430 WeakPolarHBondContact O-CB 3.45Å; L427-K430 PolarHBondContact O-N 3.14Å; L427-A431 WeakPolarHBondContact O-CB 3.5Å; L427-A431 PolarHBondContact O-N 2.92Å; L427-I436 HydrophobicContact CB-CD1 3.75Å; L427-I436 HydrophobicContact CB-CG1 4.39Å; L427-I436 HydrophobicContact CD1-CG2 4.38Å |
| 428 | T | 86.6 | Confident | 88.6 | Confident | 30 Ų | 30 | 62 Ų | 62 | 18% | 0.184 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.6 | -36.3 | 175.2 | 46 | 0 | 0 | 0 | 0 | 112.3 | L424 L425 Q426 K430 A431 N432 I436 L455 | L424-T428 PolarHBondContact O-N 3.15Å; L425-T428 PolarHBondContact O-OG1 2.85Å; Q426-T428 VanDerWaalsContact C-N 3.34Å; Q426-T428 PolarHBondContact O-N 3.17Å; T428-K430 VanDerWaalsContact C-N 3.32Å; T428-K430 PolarHBondContact O-N 3.35Å; T428-A431 PolarHBondContact O-N 2.82Å; T428-N432 PolarHBondContact O-N 2.81Å; T428-N432 VanDerWaalsContact O-N 3.11Å; T428-I436 HydrophobicContact CG2-CD1 3.75Å; T428-L455 HydrophobicContact CG2-CD1 3.4Å |
| 429 | K | 85.3 | Confident | 88.5 | Confident | 182 Ų | 182 | 57.1 Ų | 57.1 | 79% | 0.791 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.6 | -38.3 | 173.2 | -65.7 | -176.1 | 179.4 | -179 | 0 | 112.2 | Q426 L427 | Q426-K429 PolarHBondContact O-N 3.4Å; L427-K429 VanDerWaalsContact C-N 3.25Å; L427-K429 PolarHBondContact O-N 2.95Å |
| 430 | K | 86.4 | Confident | 88.3 | Confident | 162 Ų | 162 | 58.1 Ų | 58.1 | 70% | 0.704 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -73.4 | -33.8 | 177.2 | -168.7 | 179.4 | 178.3 | -177 | 0 | 111.7 | V413 L427 T428 N432 | V413-K430 HydrophobicContact CG2-CB 4.26Å; V413-K430 HydrophobicContact CG2-CD 4.34Å; V413-K430 HydrophobicContact CG2-CG 3.97Å; L427-K430 CarbonylContact O-C 3.54Å; L427-K430 WeakPolarHBondContact O-CA 3.33Å; L427-K430 WeakPolarHBondContact O-CB 3.45Å; L427-K430 PolarHBondContact O-N 3.14Å; T428-K430 VanDerWaalsContact C-N 3.32Å; T428-K430 PolarHBondContact O-N 3.35Å; K430-N432 VanDerWaalsContact C-N 3.28Å; K430-N432 PolarHBondContact O-N 3.01Å |
| 431 | A | 86.6 | Confident | 88.1 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.9 | -16.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V413 L427 T428 N433 K434 I436 | V413-A431 HydrophobicContact CB-CB 4Å; V413-A431 HydrophobicContact CG2-CB 3.85Å; L427-A431 WeakPolarHBondContact O-CB 3.5Å; L427-A431 PolarHBondContact O-N 2.92Å; T428-A431 PolarHBondContact O-N 2.82Å; A431-N433 PolarHBondContact O-N 2.87Å; A431-K434 WeakPolarHBondContact CB-O 3.18Å; A431-K434 WeakPolarHBondContact O-CB 3.46Å; A431-K434 VanDerWaalsContact O-CG 3.24Å; A431-K434 WeakPolarHBondContact O-CG 3.41Å; A431-K434 PolarHBondContact O-N 3.35Å; A431-I436 HydrophobicContact CB-CG1 3.93Å |
| 432 | N | 84.1 | Confident | 87.9 | Confident | 119 Ų | 119 | 64.4 Ų | 64.4 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 56.1 | 177.5 | -165.1 | 36.7 | 0 | 0 | 0 | 112.3 | T428 K430 K434 | T428-N432 PolarHBondContact O-N 2.81Å; T428-N432 VanDerWaalsContact O-N 3.11Å; K430-N432 VanDerWaalsContact C-N 3.28Å; K430-N432 PolarHBondContact O-N 3.01Å; N432-K434 PolarHBondContact O-N 3.16Å |
| 433 | N | 78.6 | Confident | 87.7 | Confident | 129 Ų | 129 | 63.1 Ų | 63.1 | 69% | 0.69 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 9.4 | -174.4 | -62.6 | -14 | 0 | 0 | 0 | 116.2 | A431 | A431-N433 PolarHBondContact O-N 2.87Š|
| 434 | K | 86.1 | Confident | 87 | Confident | 20 Ų | 20 | 66.2 Ų | 66.2 | 9% | 0.087 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -84.7 | 157.4 | 172.1 | -59.5 | 171.6 | 175.6 | -162 | 0 | 111.1 | D410 A431 N432 V512 | D410-K434 VanDerWaalsContact CB-NZ 3.33Å; D410-K434 IonicContact OD2-NZ 3.47Å; D410-K434 PolarHBondContact OD2-NZ 2.86Å; A431-K434 WeakPolarHBondContact CB-O 3.18Å; A431-K434 WeakPolarHBondContact O-CB 3.46Å; A431-K434 VanDerWaalsContact O-CG 3.24Å; A431-K434 WeakPolarHBondContact O-CG 3.41Å; A431-K434 PolarHBondContact O-N 3.35Å; N432-K434 PolarHBondContact O-N 3.16Å; K434-V512 HydrophobicContact CB-CB 4.47Å; K434-V512 HydrophobicContact CB-CG1 4.17Å; K434-V512 HydrophobicContact CD-CB 3.98Å; K434-V512 HydrophobicContact CD-CG1 4.07Å; K434-V512 HydrophobicContact CG-CB 4.31Å; K434-V512 HydrophobicContact CG-CG1 3.91Å; K434-V512 PolarHBondContact NZ-O 3.39Å; K434-V512 VanDerWaalsContact NZ-O 3.07Å |
| 435 | P | 89.8 | Confident | 86.4 | Confident | 6 Ų | 6 | 73 Ų | 73 | 4% | 0.039 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 140.5 | 172.5 | -17.9 | 25.7 | 0 | 0 | 0 | 111.8 | F437 C449 L451 F497 | P435-F437 HydrophobicContact CB-CE2 4.43Å; P435-F437 HydrophobicContact CB-CZ 4.26Å; P435-C449 HydrophobicContact CB-CB 4.1Å; P435-L451 HydrophobicContact CB-CD2 3.97Å; P435-L451 HydrophobicContact CG-CD2 3.71Å; P435-F497 HydrophobicContact CB-CE1 4.44Å; P435-F497 HydrophobicContact CB-CE2 4.4Å; P435-F497 HydrophobicContact CB-CZ 4.35Å; P435-F497 HydrophobicContact CG-CB 4.1Å; P435-F497 HydrophobicContact CG-CD1 3.56Å; P435-F497 HydrophobicContact CG-CD2 3.68Å; P435-F497 HydrophobicContact CG-CE1 3.88Å; P435-F497 HydrophobicContact CG-CE2 3.97Å; P435-F497 HydrophobicContact CG-CG 3.47Å; P435-F497 VanDerWaalsContact CG-CG 3.47Å; P435-F497 HydrophobicContact CG-CZ 4.07Å |
| 436 | I | 92.5 | Very high | 86.3 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 117.6 | 169.6 | -59.6 | 163.8 | 0 | 0 | 0 | 107.6 | V413 A415 L424 L427 T428 A431 C449 V450 L455 | V413-I436 HydrophobicContact CG1-CG2 4.39Å; V413-I436 WeakPolarHBondContact O-CA 3.44Å; A415-I436 HydrophobicContact CB-CG2 3.72Å; L424-I436 HydrophobicContact CD2-CB 4.48Å; L424-I436 HydrophobicContact CD2-CD1 4.01Å; L424-I436 HydrophobicContact CD2-CG2 4.05Å; L427-I436 HydrophobicContact CB-CD1 3.75Å; L427-I436 HydrophobicContact CB-CG1 4.39Å; L427-I436 HydrophobicContact CD1-CG2 4.38Å; T428-I436 HydrophobicContact CG2-CD1 3.75Å; A431-I436 HydrophobicContact CB-CG1 3.93Å; I436-C449 CarbonylContact O-C 3.55Å; I436-C449 VanDerWaalsContact O-CA 3.27Å; I436-C449 WeakPolarHBondContact O-CA 3.48Å; I436-V450 PolarHBondContact N-O 3.16Å; I436-V450 PolarHBondContact O-N 2.69Å; I436-L455 HydrophobicContact CD1-CD1 4.38Å |
| 437 | F | 92.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 127.9 | -179.2 | -67.1 | -77.9 | 0 | 0 | 0 | 110.6 | P412 V413 F414 A415 P435 T446 C449 F476 F497 A499 T510 V512 | P412-F437 HydrophobicContact CB-CD2 3.68Å; P412-F437 HydrophobicContact CB-CE2 3.97Å; V413-F437 PolarHBondContact O-N 2.86Å; F414-F437 CarbonylContact C-O 3.59Å; F414-F437 WeakPolarHBondContact CA-O 3.32Å; F414-F437 HydrophobicContact CD1-CB 3.56Å; F414-F437 HydrophobicContact CE1-CB 3.6Å; F414-F437 HydrophobicContact CE1-CG 4.31Å; A415-F437 PolarHBondContact N-O 3.34Å; P435-F437 HydrophobicContact CB-CE2 4.43Å; P435-F437 HydrophobicContact CB-CZ 4.26Å; F437-T446 HydrophobicContact CB-CG2 3.84Å; F437-T446 HydrophobicContact CD1-CG2 3.85Å; F437-T446 HydrophobicContact CG-CG2 4.28Å; F437-C449 HydrophobicContact CD1-CB 3.88Å; F437-C449 HydrophobicContact CE1-CB 4.06Å; F437-F476 HydrophobicContact CD1-CE2 4.21Å; F437-F476 AromaticContact CD1-CZ 3.98Å; F437-F476 HydrophobicContact CD1-CZ 3.98Å; F437-F476 HydrophobicContact CE1-CD2 4.22Å; F437-F476 AromaticContact CE1-CE2 3.79Å; F437-F476 HydrophobicContact CE1-CE2 3.79Å; F437-F476 HydrophobicContact CE1-CZ 4.01Å; F437-F497 HydrophobicContact CE1-CE2 4.06Å; F437-F497 HydrophobicContact CZ-CD2 4.42Å; F437-F497 HydrophobicContact CZ-CE2 4.09Å; F437-A499 HydrophobicContact CE1-CB 4.04Å; F437-A499 HydrophobicContact CZ-CB 4.09Å; F437-T510 HydrophobicContact CD1-CG2 4.23Å; F437-T510 HydrophobicContact CD2-CG2 4.06Å; F437-T510 HydrophobicContact CE1-CG2 3.7Å; F437-T510 HydrophobicContact CE2-CG2 3.51Å; F437-T510 HydrophobicContact CG-CG2 4.39Å; F437-T510 HydrophobicContact CZ-CG2 3.31Å; F437-V512 HydrophobicContact CE2-CG2 3.88Å; F437-V512 HydrophobicContact CZ-CG2 4.2Å |
| 438 | V | 92.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 123.8 | -178.4 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | A415 F417 T446 V447 G448 V450 V468 M472 | A415-V438 WeakPolarHBondContact O-CA 3.36Å; F417-V438 HydrophobicContact CD2-CG1 4.08Å; V438-T446 CarbonylContact O-C 3.59Å; V438-T446 WeakPolarHBondContact O-CA 3.44Å; V438-V447 HydrophobicContact CB-CG2 4.3Å; V438-V447 HydrophobicContact CG1-CG2 4.06Å; V438-V447 WeakPolarHBondContact O-CG2 3.36Å; V438-V447 PolarHBondContact O-N 3.06Å; V438-G448 PolarHBondContact N-O 2.96Å; V438-V450 HydrophobicContact CG2-CG2 3.86Å; V438-V468 HydrophobicContact CG1-CG1 3.9Å; V438-V468 HydrophobicContact CG1-CG2 4.31Å; V438-V468 HydrophobicContact CG2-CG2 3.66Å; V438-M472 HydrophobicContact CB-SD 3.62Å; V438-M472 HydrophobicContact CG1-SD 3.9Å; V438-M472 HydrophobicContact CG2-CG 4.17Å; V438-M472 HydrophobicContact CG2-SD 3.84Å |
| 439 | L | 91.1 | Very high | 86.4 | Confident | 29 Ų | 29 | 62 Ų | 62 | 15% | 0.152 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 151.7 | 174.1 | -60.8 | 174.5 | 0 | 0 | 0 | 110.3 | F414 A415 F417 R445 A508 | F414-L439 HydrophobicContact CB-CD1 4.08Å; F414-L439 HydrophobicContact CB-CG 4.23Å; F414-L439 HydrophobicContact CD1-CD1 4.39Å; F414-L439 HydrophobicContact CD1-CD2 3.65Å; F414-L439 HydrophobicContact CD1-CG 3.94Å; F414-L439 HydrophobicContact CE1-CD2 4.07Å; F414-L439 HydrophobicContact CG-CD1 4.35Å; F414-L439 HydrophobicContact CG-CD2 4.39Å; F414-L439 HydrophobicContact CG-CG 4.36Å; A415-L439 PolarHBondContact O-N 3.01Å; F417-L439 WeakPolarHBondContact CA-O 3.21Å; F417-L439 VanDerWaalsContact CB-O 3.29Å; F417-L439 WeakPolarHBondContact CB-O 3.49Å; F417-L439 PolarHBondContact N-O 3.14Å; L439-R445 CarbonylContact C-O 3.47Å; L439-R445 VanDerWaalsContact CA-O 3.3Å; L439-R445 WeakPolarHBondContact CA-O 3.22Å; L439-A508 HydrophobicContact CD2-CB 4.45Å |
| 440 | N | 87.2 | Confident | 86.7 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 15% | 0.15 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 170.1 | 169.5 | 70.5 | -24.5 | 0 | 0 | 0 | 111.4 | A442 G443 Q444 R445 V447 | N440-A442 PolarHBondContact O-N 2.82Å; N440-A442 VanDerWaalsContact O-N 3.13Å; N440-G443 WeakPolarHBondContact O-CA 3.35Å; N440-G443 PolarHBondContact O-N 3.49Å; N440-G443 PolarHBondContact OD1-N 3.47Å; N440-G443 VanDerWaalsContact OD1-N 3.15Å; N440-Q444 PolarHBondContact OD1-N 3.23Å; N440-R445 HydrophobicContact CB-CG 4Å; N440-R445 PolarHBondContact N-O 3Å; N440-R445 PolarHBondContact OD1-N 3.09Å; N440-R445 VanDerWaalsContact OD1-N 3.14Å; N440-R445 PolarHBondContact OD1-O 3.27Å; N440-V447 HydrophobicContact CB-CG1 3.54Å |
| 441 | E | 86.3 | Confident | 86.8 | Confident | 169 Ų | 169 | 46.9 Ų | 46.9 | 79% | 0.79 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -33.2 | 178.9 | -64.7 | -175.6 | 162.3 | 0 | 0 | 113.7 | F417 G443 | F417-E441 HydrophobicContact CB-CG 4.12Å; F417-E441 HydrophobicContact CD1-CG 3.59Å; F417-E441 HydrophobicContact CE1-CG 4.25Å; F417-E441 HydrophobicContact CG-CG 4.01Å; E441-G443 PolarHBondContact O-N 3.34Å |
| 442 | A | 83.9 | Confident | 86.6 | Confident | 64 Ų | 64 | 47.4 Ų | 47.4 | 53% | 0.529 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -9.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | N440 Q444 | N440-A442 PolarHBondContact O-N 2.82Å; N440-A442 VanDerWaalsContact O-N 3.13Å; A442-Q444 VanDerWaalsContact C-N 3.27Å; A442-Q444 HydrophobicContact CB-CB 4.46Å; A442-Q444 HydrophobicContact CB-CG 4.06Å; A442-Q444 PolarHBondContact O-N 2.86Å |
| 443 | G | 82.8 | Confident | 86.6 | Confident | 44 Ų | 44 | 46.9 Ų | 46.9 | 45% | 0.454 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 70.9 | 17.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N440 E441 | N440-G443 WeakPolarHBondContact O-CA 3.35Å; N440-G443 PolarHBondContact O-N 3.49Å; N440-G443 PolarHBondContact OD1-N 3.47Å; N440-G443 VanDerWaalsContact OD1-N 3.15Å; E441-G443 PolarHBondContact O-N 3.34Å |
| 444 | Q | 75.7 | Confident | 86.9 | Confident | 152 Ų | 152 | 41.8 Ų | 41.8 | 71% | 0.71 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -103.8 | -30.8 | -168.2 | -70.1 | 180 | -33.3 | 0 | 0 | 114.3 | N440 A442 | N440-Q444 PolarHBondContact OD1-N 3.23Å; A442-Q444 VanDerWaalsContact C-N 3.27Å; A442-Q444 HydrophobicContact CB-CB 4.46Å; A442-Q444 HydrophobicContact CB-CG 4.06Å; A442-Q444 PolarHBondContact O-N 2.86Å |
| 445 | R | 79.5 | Confident | 86.6 | Confident | 144 Ų | 144 | 40.9 Ų | 40.9 | 54% | 0.543 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -136.9 | 147.6 | -177.5 | 69.9 | -179.6 | -175.2 | 178.6 | 0.9 | 111.1 | L439 N440 V447 H506 | L439-R445 CarbonylContact C-O 3.47Å; L439-R445 VanDerWaalsContact CA-O 3.3Å; L439-R445 WeakPolarHBondContact CA-O 3.22Å; N440-R445 HydrophobicContact CB-CG 4Å; N440-R445 PolarHBondContact N-O 3Å; N440-R445 PolarHBondContact OD1-N 3.09Å; N440-R445 VanDerWaalsContact OD1-N 3.14Å; N440-R445 PolarHBondContact OD1-O 3.27Å; R445-V447 HydrophobicContact CG-CG1 4.34Å; R445-H506 HydrophobicContact CB-CB 4.32Å |
| 446 | T | 85.2 | Confident | 86 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 130.9 | 169.6 | -49.6 | 0 | 0 | 0 | 0 | 110.2 | F437 V438 G448 F476 | F437-T446 HydrophobicContact CB-CG2 3.84Å; F437-T446 HydrophobicContact CD1-CG2 3.85Å; F437-T446 HydrophobicContact CG-CG2 4.28Å; V438-T446 CarbonylContact O-C 3.59Å; V438-T446 WeakPolarHBondContact O-CA 3.44Å; T446-G448 VanDerWaalsContact CG2-O 3.27Å; T446-G448 WeakPolarHBondContact CG2-O 3.28Å; T446-F476 HydrophobicContact CG2-CE1 4.3Å; T446-F476 HydrophobicContact CG2-CZ 3.75Å |
| 447 | V | 87.8 | Confident | 85.1 | Confident | 37 Ų | 37 | 51.7 Ų | 51.7 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -8.7 | 178.4 | -67.7 | 0 | 0 | 0 | 0 | 113.4 | F417 V438 N440 R445 M472 | F417-V447 HydrophobicContact CD2-CG2 3.93Å; F417-V447 HydrophobicContact CE2-CG2 4.08Å; V438-V447 HydrophobicContact CB-CG2 4.3Å; V438-V447 HydrophobicContact CG1-CG2 4.06Å; V438-V447 WeakPolarHBondContact O-CG2 3.36Å; V438-V447 PolarHBondContact O-N 3.06Å; N440-V447 HydrophobicContact CB-CG1 3.54Å; R445-V447 HydrophobicContact CG-CG1 4.34Å; V447-M472 HydrophobicContact CG2-CE 4.24Å; V447-M472 HydrophobicContact CG2-SD 4Å |
| 448 | G | 89.9 | Confident | 84 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.3 | -176.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V438 T446 M472 Q473 | V438-G448 PolarHBondContact N-O 2.96Å; T446-G448 VanDerWaalsContact CG2-O 3.27Å; T446-G448 WeakPolarHBondContact CG2-O 3.28Å; G448-M472 VanDerWaalsContact CA-SD 3.53Å; G448-Q473 CarbonylContact C-O 3.52Å; G448-Q473 WeakPolarHBondContact CA-O 3.09Å |
| 449 | C | 91 | Very high | 82.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 154.4 | 170.7 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | P435 I436 F437 M472 Q473 F476 F497 | P435-C449 HydrophobicContact CB-CB 4.1Å; I436-C449 CarbonylContact O-C 3.55Å; I436-C449 VanDerWaalsContact O-CA 3.27Å; I436-C449 WeakPolarHBondContact O-CA 3.48Å; F437-C449 HydrophobicContact CD1-CB 3.88Å; F437-C449 HydrophobicContact CE1-CB 4.06Å; C449-M472 CarbonylContact O-C 3.52Å; C449-M472 WeakPolarHBondContact O-CA 3.24Å; C449-Q473 PolarHBondContact N-O 3.12Å; C449-Q473 PolarHBondContact O-N 3.37Å; C449-F476 HydrophobicContact CB-CD1 4.25Å; C449-F476 HydrophobicContact CB-CE1 4.32Å; C449-F497 HydrophobicContact CB-CZ 4.36Å; C449-F497 WeakPolarHBondContact SG-CZ 2.9Å |
| 450 | V | 91 | Very high | 80.9 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120.4 | 171.3 | -179.6 | 0 | 0 | 0 | 0 | 108 | I436 V438 L455 V468 I471 M472 | I436-V450 PolarHBondContact N-O 3.16Å; I436-V450 PolarHBondContact O-N 2.69Å; V438-V450 HydrophobicContact CG2-CG2 3.86Å; V450-L455 HydrophobicContact CG1-CD1 3.75Å; V450-L455 HydrophobicContact CG1-CG 3.75Å; V450-V468 HydrophobicContact CG2-CG2 3.64Å; V450-I471 HydrophobicContact CG1-CD1 3.67Å; V450-I471 HydrophobicContact CG1-CG1 4.19Å; V450-I471 HydrophobicContact CG2-CD1 4.41Å; V450-I471 HydrophobicContact CG2-CG1 4.26Å; V450-M472 HydrophobicContact CG2-CB 4.28Å |
| 451 | L | 88.7 | Confident | 79.3 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | trans | -82.2 | 147.6 | 173.5 | -67.5 | 173.9 | 0 | 0 | 0 | 110.7 | P435 E453 A454 L455 E496 F497 | P435-L451 HydrophobicContact CB-CD2 3.97Å; P435-L451 HydrophobicContact CG-CD2 3.71Å; L451-E453 WeakPolarHBondContact CB-OE2 3.23Å; L451-E453 PolarHBondContact O-N 3.08Å; L451-A454 WeakPolarHBondContact O-CB 3.49Å; L451-A454 PolarHBondContact O-N 3.38Å; L451-A454 VanDerWaalsContact O-N 3.1Å; L451-L455 PolarHBondContact O-N 2.93Å; L451-E496 WeakPolarHBondContact CD1-OE2 3.16Å; L451-F497 HydrophobicContact CD2-CD1 3.83Å; L451-F497 HydrophobicContact CD2-CE1 3.7Å; L451-F497 HydrophobicContact CG-CE1 4.42Å | ||
| 452 | P | 83.6 | Confident | 77.8 | Confident | 14 Ų | 14 | 61 Ų | 61 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54.3 | -37.2 | 177.7 | -25 | 34.2 | 0 | 0 | 0 | 113.4 | A454 L455 I456 | P452-A454 VanDerWaalsContact C-N 3.31Å; P452-A454 PolarHBondContact O-N 3.38Å; P452-L455 PolarHBondContact O-N 2.77Å; P452-I456 WeakPolarHBondContact O-CG1 3.5Å; P452-I456 PolarHBondContact O-N 2.9Å |
| 453 | E | 83.2 | Confident | 76.5 | Confident | 108 Ų | 108 | 66.7 Ų | 66.7 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.4 | -35.6 | 179.4 | -58.9 | 75.3 | -155.4 | 0 | 0 | 112 | L451 L455 I456 S457 | L451-E453 WeakPolarHBondContact CB-OE2 3.23Å; L451-E453 PolarHBondContact O-N 3.08Å; E453-L455 VanDerWaalsContact C-N 3.3Å; E453-L455 PolarHBondContact O-N 2.96Å; E453-I456 PolarHBondContact O-N 3.02Å; E453-S457 WeakPolarHBondContact O-CB 3.43Å; E453-S457 PolarHBondContact O-N 3.32Å; E453-S457 PolarHBondContact O-OG 2.91Å |
| 454 | A | 84.4 | Confident | 75.3 | Confident | 22 Ų | 22 | 71.7 Ų | 71.7 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.2 | -32.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L451 P452 S457 M458 I471 | L451-A454 WeakPolarHBondContact O-CB 3.49Å; L451-A454 PolarHBondContact O-N 3.38Å; L451-A454 VanDerWaalsContact O-N 3.1Å; P452-A454 VanDerWaalsContact C-N 3.31Å; P452-A454 PolarHBondContact O-N 3.38Å; A454-S457 PolarHBondContact O-OG 3.48Å; A454-M458 PolarHBondContact O-N 2.88Å; A454-I471 HydrophobicContact CB-CB 4.24Å |
| 455 | L | 81.5 | Confident | 75.4 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -72.7 | -35 | 174 | -82.1 | 159 | 0 | 0 | 0 | 112.6 | Y421 L424 T428 I436 V450 L451 P452 E453 I471 | Y421-L455 HydrophobicContact CD2-CD2 3.86Å; Y421-L455 HydrophobicContact CE2-CD2 3.62Å; Y421-L455 PolarHBondContact OH-O 3.06Å; L424-L455 HydrophobicContact CB-CD1 4.11Å; L424-L455 HydrophobicContact CB-CD2 3.8Å; L424-L455 HydrophobicContact CD1-CD2 4.16Å; T428-L455 HydrophobicContact CG2-CD1 3.4Å; I436-L455 HydrophobicContact CD1-CD1 4.38Å; V450-L455 HydrophobicContact CG1-CD1 3.75Å; V450-L455 HydrophobicContact CG1-CG 3.75Å; L451-L455 PolarHBondContact O-N 2.93Å; P452-L455 PolarHBondContact O-N 2.77Å; E453-L455 VanDerWaalsContact C-N 3.3Å; E453-L455 PolarHBondContact O-N 2.96Å; L455-I471 HydrophobicContact CD2-CD1 3.73Å; L455-I471 HydrophobicContact CG-CD1 3.97Å |
| 456 | I | 76.4 | Confident | 75.6 | Confident | 138 Ų | 138 | 65.9 Ų | 65.9 | 71% | 0.708 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -75.7 | -37.8 | -179.8 | -64 | 166.4 | 0 | 0 | 0 | 111.1 | P452 E453 M458 | P452-I456 WeakPolarHBondContact O-CG1 3.5Å; P452-I456 PolarHBondContact O-N 2.9Å; E453-I456 PolarHBondContact O-N 3.02Å; I456-M458 VanDerWaalsContact C-N 3.28Å; I456-M458 PolarHBondContact O-N 2.84Å |
| 457 | S | 73.1 | Confident | 75.7 | Confident | 95 Ų | 95 | 67 Ų | 67 | 66% | 0.664 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.4 | -24.4 | -179.8 | 64.8 | 0 | 0 | 0 | 0 | 113 | E453 A454 A459 | E453-S457 WeakPolarHBondContact O-CB 3.43Å; E453-S457 PolarHBondContact O-N 3.32Å; E453-S457 PolarHBondContact O-OG 2.91Å; A454-S457 PolarHBondContact O-OG 3.48Å; S457-A459 PolarHBondContact O-N 2.84Å |
| 458 | M | 70.4 | Confident | 75.7 | Confident | 38 Ų | 38 | 65.4 Ų | 65.4 | 19% | 0.187 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -69.4 | 91.2 | 164.1 | -80.4 | -164.1 | 83.8 | 0 | 0 | 110.6 | Y421 A454 I456 Q460 P461 F466 I471 | Y421-M458 HydrophobicContact CD2-SD 4.49Å; Y421-M458 HydrophobicContact CE2-CB 4.18Å; Y421-M458 HydrophobicContact CE2-SD 4.3Å; Y421-M458 PolarHBondContact OH-O 2.82Å; A454-M458 PolarHBondContact O-N 2.88Å; I456-M458 VanDerWaalsContact C-N 3.28Å; I456-M458 PolarHBondContact O-N 2.84Å; M458-Q460 PolarHBondContact O-N 2.68Å; M458-P461 HydrophobicContact CE-CB 3.44Å; M458-P461 VanDerWaalsContact CE-CB 3.44Å; M458-P461 HydrophobicContact CE-CG 3.48Å; M458-P461 VanDerWaalsContact CE-CG 3.48Å; M458-P461 HydrophobicContact SD-CG 4.41Å; M458-F466 HydrophobicContact CE-CD2 4Å; M458-F466 HydrophobicContact CE-CE2 4.33Å; M458-F466 HydrophobicContact SD-CD2 4.03Å; M458-F466 HydrophobicContact SD-CE2 3.76Å; M458-I471 HydrophobicContact CG-CG2 3.53Å; M458-I471 HydrophobicContact SD-CB 4.43Å; M458-I471 HydrophobicContact SD-CD1 4.24Å; M458-I471 HydrophobicContact SD-CG2 3.18Å; M458-I471 WeakPolarHBondContact SD-CG2 3.36Å |
| 459 | A | 59 | Low | 75.6 | Confident | 92 Ų | 92 | 71 Ų | 71 | 76% | 0.76 | 39% | 0.387 | S | S | * | . | trans | -50.7 | 116.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | S457 P461 | S457-A459 PolarHBondContact O-N 2.84Å; A459-P461 VanDerWaalsContact O-N 3.15Å | ||
| 460 | Q | 57.6 | Low | 75.4 | Confident | 156 Ų | 156 | 76.9 Ų | 76.9 | 73% | 0.729 | 42% | 0.415 | S | S | * | . | trans | -13.5 | 104.7 | -167.9 | -75.3 | -163 | -2.3 | 0 | 0 | 113.2 | M458 T462 | M458-Q460 PolarHBondContact O-N 2.68Å; Q460-T462 PolarHBondContact O-N 2.62Å | ||
| 461 | P | 55.1 | Low | 75.2 | Confident | 19 Ų | 19 | 78 Ų | 78 | 12% | 0.123 | 42% | 0.42 | C | S | . | . | trans | -53.7 | 134.8 | 173.9 | 15.6 | -22.4 | 0 | 0 | 0 | 107.6 | Y421 M458 A459 K463 F466 | Y421-P461 HydrophobicContact CD1-CG 4.2Å; Y421-P461 HydrophobicContact CD2-CG 3.7Å; Y421-P461 HydrophobicContact CE1-CG 4.49Å; Y421-P461 HydrophobicContact CE2-CG 4.05Å; Y421-P461 HydrophobicContact CG-CG 3.8Å; M458-P461 HydrophobicContact CE-CB 3.44Å; M458-P461 VanDerWaalsContact CE-CB 3.44Å; M458-P461 HydrophobicContact CE-CG 3.48Å; M458-P461 VanDerWaalsContact CE-CG 3.48Å; M458-P461 HydrophobicContact SD-CG 4.41Å; A459-P461 VanDerWaalsContact O-N 3.15Å; P461-K463 WeakPolarHBondContact O-CA 3.39Å; P461-K463 PolarHBondContact O-N 3.12Å; P461-F466 HydrophobicContact CB-CB 4.47Å; P461-F466 HydrophobicContact CG-CB 4.39Å; P461-F466 HydrophobicContact CG-CD2 4.09Å | ||
| 462 | T | 54.9 | Low | 75.2 | Confident | 118 Ų | 118 | 78.2 Ų | 78.2 | 72% | 0.724 | 42% | 0.421 | S | S | * | . | trans | -42.7 | 112.4 | 164.7 | 46.3 | 0 | 0 | 0 | 0 | 106.5 | Q460 D464 N465 | Q460-T462 PolarHBondContact O-N 2.62Å; T462-D464 PolarHBondContact O-N 3.19Å; T462-N465 PolarHBondContact O-N 3.16Å | ||
| 463 | K | 55 | Low | 75.3 | Confident | 183 Ų | 183 | 81.1 Ų | 81.1 | 80% | 0.796 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -8.6 | -158 | -86.8 | 178.6 | 173.8 | 175.5 | 0 | 115.6 | P461 | P461-K463 WeakPolarHBondContact O-CA 3.39Å; P461-K463 PolarHBondContact O-N 3.12Å |
| 464 | D | 59.3 | Low | 75.2 | Confident | 148 Ų | 148 | 79.6 Ų | 79.6 | 79% | 0.791 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -6.1 | -166.3 | -55.7 | -33.5 | 0 | 0 | 0 | 114.7 | T462 | T462-D464 PolarHBondContact O-N 3.19Š|
| 465 | N | 76.4 | Confident | 75 | Confident | 139 Ų | 139 | 85.8 Ų | 85.8 | 74% | 0.743 | 46% | 0.458 | S | S | * | . | trans | -136.7 | 23.3 | -175.1 | -96.9 | -2.1 | 0 | 0 | 0 | 116.3 | T462 S467 | T462-N465 PolarHBondContact O-N 3.16Å; N465-S467 PolarHBondContact O-N 2.68Å | ||
| 466 | F | 84.1 | Confident | 75 | Confident | 36 Ų | 36 | 87.6 Ų | 87.6 | 16% | 0.158 | 47% | 0.466 | C | S | . | . | trans | -70.7 | 129.6 | 178.3 | 173.9 | -99.6 | 0 | 0 | 0 | 112.2 | V419 Y421 L424 M458 P461 V468 I471 | V419-F466 WeakPolarHBondContact O-CE1 3.42Å; Y421-F466 HydrophobicContact CD2-CD2 4.03Å; Y421-F466 AromaticContact CD2-CE2 3.9Å; Y421-F466 HydrophobicContact CD2-CE2 3.9Å; Y421-F466 HydrophobicContact CD2-CZ 4.32Å; L424-F466 HydrophobicContact CD1-CE1 3.72Å; L424-F466 HydrophobicContact CD1-CZ 3.5Å; L424-F466 VanDerWaalsContact CD1-CZ 3.5Å; M458-F466 HydrophobicContact CE-CD2 4Å; M458-F466 HydrophobicContact CE-CE2 4.33Å; M458-F466 HydrophobicContact SD-CD2 4.03Å; M458-F466 HydrophobicContact SD-CE2 3.76Å; P461-F466 HydrophobicContact CB-CB 4.47Å; P461-F466 HydrophobicContact CG-CB 4.39Å; P461-F466 HydrophobicContact CG-CD2 4.09Å; F466-V468 HydrophobicContact CE1-CB 4.35Å; F466-V468 HydrophobicContact CZ-CB 4.37Å; F466-I471 HydrophobicContact CE2-CD1 3.75Å; F466-I471 HydrophobicContact CE2-CG1 4.05Å; F466-I471 HydrophobicContact CZ-CD1 3.76Å; F466-I471 HydrophobicContact CZ-CG1 4.12Å | ||
| 467 | S | 87.1 | Confident | 75.2 | Confident | 38 Ų | 38 | 83.7 Ų | 83.7 | 27% | 0.266 | 44% | 0.444 | S | S | . | . | trans | -119.3 | 137.4 | 162.3 | 172.9 | 0 | 0 | 0 | 0 | 109.1 | N465 E469 Q470 | N465-S467 PolarHBondContact O-N 2.68Å; S467-E469 PolarHBondContact O-N 3.11Å; S467-E469 PolarHBondContact OG-N 3.19Å; S467-E469 PolarHBondContact OG-OE2 3.37Å; S467-Q470 VanDerWaalsContact O-CB 3.32Å; S467-Q470 WeakPolarHBondContact O-CB 3.36Å; S467-Q470 WeakPolarHBondContact O-CG 3.3Å; S467-Q470 PolarHBondContact O-N 2.64Å; S467-Q470 PolarHBondContact O-OE1 3.32Å | ||
| 468 | V | 88.3 | Confident | 75.7 | Confident | 2 Ų | 2 | 82.5 Ų | 82.5 | 1% | 0.012 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -59.8 | -29 | 178.4 | 70.6 | 0 | 0 | 0 | 0 | 112.2 | F417 V419 L424 V438 V450 F466 Q470 I471 M472 | F417-V468 HydrophobicContact CD2-CG1 4.42Å; F417-V468 VanDerWaalsContact O-CG1 3.25Å; F417-V468 WeakPolarHBondContact O-CG1 3.22Å; V419-V468 HydrophobicContact CG1-CB 4.04Å; V419-V468 HydrophobicContact CG1-CG2 3.99Å; L424-V468 HydrophobicContact CD1-CG2 4Å; V438-V468 HydrophobicContact CG1-CG1 3.9Å; V438-V468 HydrophobicContact CG1-CG2 4.31Å; V438-V468 HydrophobicContact CG2-CG2 3.66Å; V450-V468 HydrophobicContact CG2-CG2 3.64Å; F466-V468 HydrophobicContact CE1-CB 4.35Å; F466-V468 HydrophobicContact CZ-CB 4.37Å; V468-Q470 PolarHBondContact O-N 2.72Å; V468-Q470 VanDerWaalsContact O-N 3.11Å; V468-I471 WeakPolarHBondContact O-CG1 3.37Å; V468-I471 PolarHBondContact O-N 3.21Å; V468-I471 VanDerWaalsContact O-N 3.09Å; V468-M472 HydrophobicContact CG2-CB 4.44Å; V468-M472 WeakPolarHBondContact O-CB 3.1Å; V468-M472 PolarHBondContact O-N 2.73Å |
| 469 | E | 88.2 | Confident | 76.3 | Confident | 119 Ų | 119 | 81.2 Ų | 81.2 | 56% | 0.556 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -58.2 | -25 | 176.7 | -64.3 | 178.1 | 119.4 | 0 | 0 | 113.2 | F417 S467 I471 | F417-E469 HydrophobicContact CE2-CG 4.03Å; F417-E469 HydrophobicContact CZ-CG 3.63Å; F417-E469 WeakPolarHBondContact CZ-OE1 3.25Å; S467-E469 PolarHBondContact O-N 3.11Å; S467-E469 PolarHBondContact OG-N 3.19Å; S467-E469 PolarHBondContact OG-OE2 3.37Å; E469-I471 PolarHBondContact O-N 3.12Å |
| 470 | Q | 86.2 | Confident | 77.4 | Confident | 122 Ų | 122 | 79.2 Ų | 79.2 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -69.1 | -22.6 | 179.9 | -64.4 | 172.2 | -32.1 | 0 | 0 | 113.1 | S467 V468 | S467-Q470 VanDerWaalsContact O-CB 3.32Å; S467-Q470 WeakPolarHBondContact O-CB 3.36Å; S467-Q470 WeakPolarHBondContact O-CG 3.3Å; S467-Q470 PolarHBondContact O-N 2.64Å; S467-Q470 PolarHBondContact O-OE1 3.32Å; V468-Q470 PolarHBondContact O-N 2.72Å; V468-Q470 VanDerWaalsContact O-N 3.11Å |
| 471 | I | 87.4 | Confident | 78.6 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 12% | 0.123 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | -6.3 | -177.4 | 58.3 | 170 | 0 | 0 | 0 | 114.1 | L424 V450 A454 L455 M458 F466 V468 E469 | L424-I471 HydrophobicContact CD1-CD1 4.27Å; V450-I471 HydrophobicContact CG1-CD1 3.67Å; V450-I471 HydrophobicContact CG1-CG1 4.19Å; V450-I471 HydrophobicContact CG2-CD1 4.41Å; V450-I471 HydrophobicContact CG2-CG1 4.26Å; A454-I471 HydrophobicContact CB-CB 4.24Å; L455-I471 HydrophobicContact CD2-CD1 3.73Å; L455-I471 HydrophobicContact CG-CD1 3.97Å; M458-I471 HydrophobicContact CG-CG2 3.53Å; M458-I471 HydrophobicContact SD-CB 4.43Å; M458-I471 HydrophobicContact SD-CD1 4.24Å; M458-I471 HydrophobicContact SD-CG2 3.18Å; M458-I471 WeakPolarHBondContact SD-CG2 3.36Å; F466-I471 HydrophobicContact CE2-CD1 3.75Å; F466-I471 HydrophobicContact CE2-CG1 4.05Å; F466-I471 HydrophobicContact CZ-CD1 3.76Å; F466-I471 HydrophobicContact CZ-CG1 4.12Å; V468-I471 WeakPolarHBondContact O-CG1 3.37Å; V468-I471 PolarHBondContact O-N 3.21Å; V468-I471 VanDerWaalsContact O-N 3.09Å; E469-I471 PolarHBondContact O-N 3.12Å |
| 472 | M | 87.8 | Confident | 80 | Confident | 29 Ų | 29 | 78.9 Ų | 78.9 | 14% | 0.143 | 40% | 0.398 | C | S | . | . | trans | -75.2 | 131.1 | 179.8 | -178.4 | -178.7 | 76 | 0 | 0 | 109.7 | V438 V447 G448 C449 V450 V468 P474 | V438-M472 HydrophobicContact CB-SD 3.62Å; V438-M472 HydrophobicContact CG1-SD 3.9Å; V438-M472 HydrophobicContact CG2-CG 4.17Å; V438-M472 HydrophobicContact CG2-SD 3.84Å; V447-M472 HydrophobicContact CG2-CE 4.24Å; V447-M472 HydrophobicContact CG2-SD 4Å; G448-M472 VanDerWaalsContact CA-SD 3.53Å; C449-M472 CarbonylContact O-C 3.52Å; C449-M472 WeakPolarHBondContact O-CA 3.24Å; V450-M472 HydrophobicContact CG2-CB 4.28Å; V468-M472 HydrophobicContact CG2-CB 4.44Å; V468-M472 WeakPolarHBondContact O-CB 3.1Å; V468-M472 PolarHBondContact O-N 2.73Å; M472-P474 WeakPolarHBondContact O-CD 3.22Å | ||
| 473 | Q | 85.3 | Confident | 81.3 | Confident | 76 Ų | 76 | 73.8 Ų | 73.8 | 36% | 0.355 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -83.5 | 116.2 | 165.9 | -175.2 | 177.4 | -14.5 | 0 | 0 | 108.4 | G448 C449 H475 | G448-Q473 CarbonylContact C-O 3.52Å; G448-Q473 WeakPolarHBondContact CA-O 3.09Å; C449-Q473 PolarHBondContact N-O 3.12Å; C449-Q473 PolarHBondContact O-N 3.37Å; Q473-H475 VanDerWaalsContact C-N 3.35Å; Q473-H475 VanDerWaalsContact CG-O 3.24Å; Q473-H475 WeakPolarHBondContact CG-O 3.32Å; Q473-H475 PolarHBondContact NE2-O 3.23Å |
| 474 | P | 81.3 | Confident | 82.8 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -77.6 | -20.6 | -177.1 | 29.9 | -34.6 | 0 | 0 | 0 | 113.1 | M472 | M472-P474 WeakPolarHBondContact O-CD 3.22Š|
| 475 | H | 80.1 | Confident | 84 | Confident | 153 Ų | 153 | 60 Ų | 60 | 71% | 0.708 | 31% | 0.305 | S | S | * | . | trans | -118.6 | 126.3 | -176.3 | -61.4 | -56.8 | 0 | 0 | 0 | 111.2 | Q473 | Q473-H475 VanDerWaalsContact C-N 3.35Å; Q473-H475 VanDerWaalsContact CG-O 3.24Å; Q473-H475 WeakPolarHBondContact CG-O 3.32Å; Q473-H475 PolarHBondContact NE2-O 3.23Å | ||
| 476 | F | 82.5 | Confident | 84.3 | Confident | 40 Ų | 40 | 54 Ų | 54 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | trans | -151.4 | 154.6 | 173.8 | 51.3 | -91.1 | 0 | 0 | 0 | 108.3 | F437 T446 C449 V478 F497 A499 | F437-F476 HydrophobicContact CD1-CE2 4.21Å; F437-F476 AromaticContact CD1-CZ 3.98Å; F437-F476 HydrophobicContact CD1-CZ 3.98Å; F437-F476 HydrophobicContact CE1-CD2 4.22Å; F437-F476 AromaticContact CE1-CE2 3.79Å; F437-F476 HydrophobicContact CE1-CE2 3.79Å; F437-F476 HydrophobicContact CE1-CZ 4.01Å; T446-F476 HydrophobicContact CG2-CE1 4.3Å; T446-F476 HydrophobicContact CG2-CZ 3.75Å; C449-F476 HydrophobicContact CB-CD1 4.25Å; C449-F476 HydrophobicContact CB-CE1 4.32Å; F476-V478 HydrophobicContact CD2-CG2 3.78Å; F476-V478 HydrophobicContact CE2-CG2 3.52Å; F476-V478 PolarHBondContact O-N 3.46Å; F476-F497 HydrophobicContact CB-CE1 4.42Å; F476-F497 HydrophobicContact CB-CE2 3.78Å; F476-F497 HydrophobicContact CB-CZ 3.43Å; F476-F497 VanDerWaalsContact CB-CZ 3.43Å; F476-F497 HydrophobicContact CD2-CE2 4.03Å; F476-F497 HydrophobicContact CD2-CZ 4.42Å; F476-F497 AromaticContact CG-CE2 3.99Å; F476-F497 HydrophobicContact CG-CE2 3.99Å; F476-F497 AromaticContact CG-CZ 3.91Å; F476-F497 HydrophobicContact CG-CZ 3.91Å; F476-A499 HydrophobicContact CD2-CB 3.65Å; F476-A499 HydrophobicContact CE2-CB 3.63Å | ||
| 477 | E | 80.9 | Confident | 84.2 | Confident | 56 Ų | 56 | 56.5 Ų | 56.5 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | trans | -70.2 | 130.4 | -178.7 | -70.5 | -67.1 | 176.3 | 0 | 0 | 110.7 | K379 M491 E495 A499 | K379-E477 IonicContact NZ-OE1 2.79Å; K379-E477 PolarHBondContact NZ-OE1 3.4Å; E477-M491 HydrophobicContact CB-CE 4.44Å; E477-M491 HydrophobicContact CG-CE 4.47Å; E477-E495 HydrophobicContact CG-CG 3.83Å; E477-A499 WeakPolarHBondContact O-CB 3.38Å; E477-A499 PolarHBondContact O-N 2.73Å | ||
| 478 | V | 82.3 | Confident | 84 | Confident | 69 Ų | 69 | 55 Ų | 55 | 42% | 0.418 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 123.6 | 175.9 | -174.9 | 0 | 0 | 0 | 0 | 109 | F476 A499 | F476-V478 HydrophobicContact CD2-CG2 3.78Å; F476-V478 HydrophobicContact CE2-CG2 3.52Å; F476-V478 PolarHBondContact O-N 3.46Å; V478-A499 CarbonylContact C-O 3.49Å; V478-A499 VanDerWaalsContact CA-O 3.23Å; V478-A499 WeakPolarHBondContact CA-O 3.36Å; V478-A499 HydrophobicContact CG2-CB 4Å |
| 479 | V | 82.6 | Confident | 83.8 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 152 | 173.3 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | C483 V488 M491 V498 A499 V500 G501 | V479-C483 HydrophobicContact CB-CB 3.86Å; V479-C483 HydrophobicContact CG2-CB 4.19Å; V479-V488 HydrophobicContact CB-CG2 4.46Å; V479-V488 HydrophobicContact CG1-CG2 4.3Å; V479-V488 HydrophobicContact CG2-CG2 3.8Å; V479-M491 HydrophobicContact CG1-CE 3.91Å; V479-M491 HydrophobicContact CG1-SD 3.41Å; V479-M491 WeakPolarHBondContact CG1-SD 3.44Å; V479-V498 HydrophobicContact CB-CG1 4.26Å; V479-V498 HydrophobicContact CG1-CG1 3.69Å; V479-V498 HydrophobicContact CG2-CG1 3.72Å; V479-A499 PolarHBondContact N-O 3.36Å; V479-V500 HydrophobicContact CG2-CB 4.46Å; V479-V500 HydrophobicContact CG2-CG1 4.49Å; V479-V500 HydrophobicContact CG2-CG2 4.05Å; V479-V500 CarbonylContact O-C 3.56Å; V479-V500 WeakPolarHBondContact O-CA 3.13Å; V479-G501 PolarHBondContact O-N 3.42Å |
| 480 | D | 82.7 | Confident | 83.2 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 148.7 | 170.3 | -177.7 | -93.2 | 0 | 0 | 0 | 111 | K482 C483 G501 G503 G504 | D480-K482 PolarHBondContact O-N 3.06Å; D480-K482 WeakPolarHBondContact OD1-CA 3.44Å; D480-K482 WeakPolarHBondContact OD1-CB 3.43Å; D480-K482 WeakPolarHBondContact OD1-CG 3.29Å; D480-K482 PolarHBondContact OD1-N 3.48Å; D480-C483 WeakPolarHBondContact O-CB 3.37Å; D480-C483 PolarHBondContact O-N 2.64Å; D480-G501 WeakPolarHBondContact CA-O 3.28Å; D480-G503 WeakPolarHBondContact OD2-CA 3.39Å; D480-G503 PolarHBondContact OD2-N 2.8Å; D480-G503 VanDerWaalsContact OD2-N 3.14Å; D480-G504 PolarHBondContact OD2-N 3.42Å |
| 481 | E | 82.7 | Confident | 82.8 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -19.5 | 177.8 | 71.8 | -176.8 | 174.9 | 0 | 0 | 114.1 | D405 V500 G501 K502 | D405-E481 HydrophobicContact CB-CB 4.22Å; D405-E481 WeakPolarHBondContact CB-O 3.45Å; D405-E481 PolarHBondContact N-O 2.94Å; E481-V500 HydrophobicContact CB-CG1 3.95Å; E481-G501 PolarHBondContact N-O 3.28Å; E481-G501 VanDerWaalsContact N-O 3.09Å; E481-K502 VanDerWaalsContact CD-CG 3.47Å; E481-K502 WeakPolarHBondContact OE2-CE 3.23Å; E481-K502 WeakPolarHBondContact OE2-CG 3.48Å |
| 482 | K | 84.5 | Confident | 82.5 | Confident | 129 Ų | 129 | 51.4 Ų | 51.4 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -5.1 | 173.9 | -42.3 | -140.5 | 178.7 | 152.5 | 0 | 114 | R403 D480 | R403-K482 VanDerWaalsContact NE-CA 3.33Å; D480-K482 PolarHBondContact O-N 3.06Å; D480-K482 WeakPolarHBondContact OD1-CA 3.44Å; D480-K482 WeakPolarHBondContact OD1-CB 3.43Å; D480-K482 WeakPolarHBondContact OD1-CG 3.29Å; D480-K482 PolarHBondContact OD1-N 3.48Å |
| 483 | C | 82.6 | Confident | 82.1 | Confident | 12 Ų | 12 | 54.5 Ų | 54.5 | 8% | 0.081 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -55 | 136.1 | 177.6 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | R403 V404 V479 D480 Q487 | R403-C483 WeakPolarHBondContact CA-O 3.31Å; V404-C483 HydrophobicContact CG2-CB 4.22Å; V404-C483 VanDerWaalsContact CG2-O 3.24Å; V404-C483 WeakPolarHBondContact CG2-O 3.27Å; V404-C483 PolarHBondContact N-O 3.21Å; V479-C483 HydrophobicContact CB-CB 3.86Å; V479-C483 HydrophobicContact CG2-CB 4.19Å; D480-C483 WeakPolarHBondContact O-CB 3.37Å; D480-C483 PolarHBondContact O-N 2.64Å; C483-Q487 VanDerWaalsContact SG-CB 3.58Å; C483-Q487 PolarHBondContact SG-OE1 2.59Å |
| 484 | P | 85.6 | Confident | 81.7 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 23% | 0.234 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -61.3 | 137.6 | 170.5 | -24.7 | 35.4 | 0 | 0 | 0 | 111.7 | K402 V486 Q487 V488 | K402-P484 CarbonylContact O-C 3.54Å; K402-P484 WeakPolarHBondContact O-CA 3.28Å; P484-V486 HydrophobicContact CB-CG1 4.03Å; P484-V486 PolarHBondContact O-N 3.28Å; P484-V486 VanDerWaalsContact O-N 3.07Å; P484-Q487 PolarHBondContact O-N 3.46Å; P484-V488 PolarHBondContact O-N 3.15Å |
| 485 | I | 86.3 | Confident | 81.5 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.3 | -28.1 | -179.4 | -63.2 | 171.7 | 0 | 0 | 0 | 111.3 | W399 K402 V404 L407 Q487 V488 H489 | W399-I485 HydrophobicContact CE3-CB 4.16Å; W399-I485 HydrophobicContact CE3-CG2 3.61Å; W399-I485 HydrophobicContact CZ3-CB 4.42Å; W399-I485 HydrophobicContact CZ3-CG2 3.71Å; K402-I485 HydrophobicContact CB-CD1 3.73Å; K402-I485 HydrophobicContact CB-CG1 4.45Å; K402-I485 WeakPolarHBondContact O-CG1 3.4Å; K402-I485 PolarHBondContact O-N 3.14Å; V404-I485 HydrophobicContact CG2-CG1 4.33Å; L407-I485 HydrophobicContact CD1-CD1 4Å; L407-I485 HydrophobicContact CD1-CG1 4.09Å; L407-I485 HydrophobicContact CD1-CG2 4.5Å; L407-I485 HydrophobicContact CD2-CD1 3.83Å; L407-I485 HydrophobicContact CG-CD1 3.77Å; L407-I485 HydrophobicContact CG-CG1 4.34Å; I485-Q487 VanDerWaalsContact C-N 3.33Å; I485-Q487 PolarHBondContact O-N 2.81Å; I485-V488 PolarHBondContact O-N 3.2Å; I485-H489 WeakPolarHBondContact O-CB 3.32Å; I485-H489 PolarHBondContact O-N 2.94Å |
| 486 | V | 82.7 | Confident | 81.5 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -39.7 | 175.1 | 67.5 | 0 | 0 | 0 | 0 | 113.2 | P391 Q400 P484 V488 H489 E490 | P391-V486 HydrophobicContact CB-CG2 3.89Å; P391-V486 HydrophobicContact CG-CG1 4.18Å; P391-V486 HydrophobicContact CG-CG2 4.08Å; Q400-V486 HydrophobicContact CB-CB 3.76Å; Q400-V486 HydrophobicContact CB-CG1 4.4Å; Q400-V486 HydrophobicContact CB-CG2 4.23Å; Q400-V486 HydrophobicContact CG-CB 4.06Å; Q400-V486 HydrophobicContact CG-CG2 4.08Å; Q400-V486 WeakPolarHBondContact O-CB 3.33Å; Q400-V486 VanDerWaalsContact O-CG1 3.27Å; Q400-V486 WeakPolarHBondContact O-CG1 3.5Å; Q400-V486 PolarHBondContact O-N 3.36Å; Q400-V486 VanDerWaalsContact O-N 3.07Å; P484-V486 HydrophobicContact CB-CG1 4.03Å; P484-V486 PolarHBondContact O-N 3.28Å; P484-V486 VanDerWaalsContact O-N 3.07Å; V486-V488 VanDerWaalsContact C-N 3.35Å; V486-H489 PolarHBondContact O-N 2.94Å; V486-E490 HydrophobicContact CG2-CG 4.46Å; V486-E490 WeakPolarHBondContact O-CG 3.44Å; V486-E490 PolarHBondContact O-N 3.32Å |
| 487 | Q | 80.7 | Confident | 81.5 | Confident | 90 Ų | 90 | 55.5 Ų | 55.5 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 178.2 | -74.3 | -178.7 | -17.6 | 0 | 0 | 110.2 | C483 P484 I485 H489 E490 M491 | C483-Q487 VanDerWaalsContact SG-CB 3.58Å; C483-Q487 PolarHBondContact SG-OE1 2.59Å; P484-Q487 PolarHBondContact O-N 3.46Å; I485-Q487 VanDerWaalsContact C-N 3.33Å; I485-Q487 PolarHBondContact O-N 2.81Å; Q487-H489 VanDerWaalsContact C-N 3.33Å; Q487-H489 PolarHBondContact O-N 3.03Å; Q487-E490 PolarHBondContact O-N 3.46Å; Q487-M491 WeakPolarHBondContact O-CG 3.22Å; Q487-M491 PolarHBondContact O-N 3.42Å |
| 488 | V | 83.8 | Confident | 81.7 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 173.8 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | V404 V479 P484 I485 V486 M491 L492 V498 | V404-V488 HydrophobicContact CG2-CB 4.3Å; V404-V488 HydrophobicContact CG2-CG2 3.34Å; V479-V488 HydrophobicContact CB-CG2 4.46Å; V479-V488 HydrophobicContact CG1-CG2 4.3Å; V479-V488 HydrophobicContact CG2-CG2 3.8Å; P484-V488 PolarHBondContact O-N 3.15Å; I485-V488 PolarHBondContact O-N 3.2Å; V486-V488 VanDerWaalsContact C-N 3.35Å; V488-M491 WeakPolarHBondContact O-CB 3.23Å; V488-M491 PolarHBondContact O-N 3.48Å; V488-L492 HydrophobicContact CG1-CD1 3.88Å; V488-L492 HydrophobicContact CG1-CG 4.24Å; V488-L492 WeakPolarHBondContact O-CB 3.36Å; V488-L492 VanDerWaalsContact O-CG 3.25Å; V488-L492 WeakPolarHBondContact O-CG 3.29Å; V488-L492 PolarHBondContact O-N 2.75Å; V488-V498 HydrophobicContact CG1-CB 4.08Å; V488-V498 HydrophobicContact CG1-CG1 4.32Å; V488-V498 HydrophobicContact CG1-CG2 4.26Å |
| 489 | H | 83.3 | Confident | 81.8 | Confident | 68 Ų | 68 | 49.9 Ų | 49.9 | 32% | 0.315 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.1 | 174.7 | 74.3 | 0 | 0 | 0 | 112.2 | W399 I485 V486 Q487 L492 K493 | W399-H489 HydrophobicContact CH2-CB 3.82Å; W399-H489 AromaticContact CH2-CD2 3.86Å; W399-H489 AromaticContact CH2-CG 3.63Å; W399-H489 HydrophobicContact CZ3-CB 3.88Å; I485-H489 WeakPolarHBondContact O-CB 3.32Å; I485-H489 PolarHBondContact O-N 2.94Å; V486-H489 PolarHBondContact O-N 2.94Å; Q487-H489 VanDerWaalsContact C-N 3.33Å; Q487-H489 PolarHBondContact O-N 3.03Å; H489-L492 PolarHBondContact O-N 2.67Å; H489-K493 WeakPolarHBondContact NE2-CE 3.29Å; H489-K493 PolarHBondContact O-N 3.17Å |
| 490 | E | 75.5 | Confident | 81.7 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 175.6 | -67.2 | -60.8 | 153.2 | 0 | 0 | 111.2 | T392 V486 Q487 L492 K493 | T392-E490 PolarHBondContact OG1-OE1 3.35Å; V486-E490 HydrophobicContact CG2-CG 4.46Å; V486-E490 WeakPolarHBondContact O-CG 3.44Å; V486-E490 PolarHBondContact O-N 3.32Å; Q487-E490 PolarHBondContact O-N 3.46Å; E490-L492 PolarHBondContact O-N 2.78Å; E490-K493 WeakPolarHBondContact O-CB 3.43Å; E490-K493 PolarHBondContact O-N 2.97Å; E490-K493 IonicContact OE1-NZ 3.82Å; E490-K493 PolarHBondContact OE1-NZ 2.85Å; E490-K493 WeakPolarHBondContact OE2-CD 3.39Å; E490-K493 WeakPolarHBondContact OE2-CE 3.4Å; E490-K493 IonicContact OE2-NZ 3.2Å; E490-K493 PolarHBondContact OE2-NZ 2.87Å |
| 491 | M | 78.7 | Confident | 81.3 | Confident | 45 Ų | 45 | 47.8 Ų | 47.8 | 22% | 0.222 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -46.2 | 172.3 | -72.9 | 173 | 149.6 | 0 | 0 | 111.8 | E477 V479 Q487 V488 K493 H494 E495 V498 | E477-M491 HydrophobicContact CB-CE 4.44Å; E477-M491 HydrophobicContact CG-CE 4.47Å; V479-M491 HydrophobicContact CG1-CE 3.91Å; V479-M491 HydrophobicContact CG1-SD 3.41Å; V479-M491 WeakPolarHBondContact CG1-SD 3.44Å; Q487-M491 WeakPolarHBondContact O-CG 3.22Å; Q487-M491 PolarHBondContact O-N 3.42Å; V488-M491 WeakPolarHBondContact O-CB 3.23Å; V488-M491 PolarHBondContact O-N 3.48Å; M491-K493 PolarHBondContact O-N 3.39Å; M491-K493 VanDerWaalsContact O-N 3.1Å; M491-H494 PolarHBondContact O-N 3.01Å; M491-E495 WeakPolarHBondContact O-CB 3.29Å; M491-E495 PolarHBondContact O-N 2.89Å; M491-V498 HydrophobicContact CB-CG2 3.63Å; M491-V498 HydrophobicContact SD-CG1 4.2Å; M491-V498 HydrophobicContact SD-CG2 4.3Å |
| 492 | L | 81.2 | Confident | 80.6 | Confident | 42 Ų | 42 | 50.7 Ų | 50.7 | 22% | 0.22 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -9 | 179.5 | -72.4 | 172.1 | 0 | 0 | 0 | 114.4 | V488 H489 E490 H494 E495 V498 F515 | V488-L492 HydrophobicContact CG1-CD1 3.88Å; V488-L492 HydrophobicContact CG1-CG 4.24Å; V488-L492 WeakPolarHBondContact O-CB 3.36Å; V488-L492 VanDerWaalsContact O-CG 3.25Å; V488-L492 WeakPolarHBondContact O-CG 3.29Å; V488-L492 PolarHBondContact O-N 2.75Å; H489-L492 PolarHBondContact O-N 2.67Å; E490-L492 PolarHBondContact O-N 2.78Å; L492-H494 PolarHBondContact O-N 3.28Å; L492-E495 WeakPolarHBondContact CA-O 2.82Å; L492-V498 HydrophobicContact CD2-CB 4.47Å; L492-V498 HydrophobicContact CD2-CG2 3.89Å; L492-V498 HydrophobicContact CG-CG2 3.98Å; L492-F515 HydrophobicContact CD1-CD2 4.01Å |
| 493 | K | 78.7 | Confident | 79.4 | Confident | 94 Ų | 94 | 47.1 Ų | 47.1 | 41% | 0.409 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -17.6 | 169.1 | -67.6 | 177.1 | -172.4 | 169.7 | 0 | 112.6 | H489 E490 M491 | H489-K493 WeakPolarHBondContact NE2-CE 3.29Å; H489-K493 PolarHBondContact O-N 3.17Å; E490-K493 WeakPolarHBondContact O-CB 3.43Å; E490-K493 PolarHBondContact O-N 2.97Å; E490-K493 IonicContact OE1-NZ 3.82Å; E490-K493 PolarHBondContact OE1-NZ 2.85Å; E490-K493 WeakPolarHBondContact OE2-CD 3.39Å; E490-K493 WeakPolarHBondContact OE2-CE 3.4Å; E490-K493 IonicContact OE2-NZ 3.2Å; E490-K493 PolarHBondContact OE2-NZ 2.87Å; M491-K493 PolarHBondContact O-N 3.39Å; M491-K493 VanDerWaalsContact O-N 3.1Å |
| 494 | H | 77.3 | Confident | 77.6 | Confident | 141 Ų | 141 | 49.3 Ų | 49.3 | 65% | 0.653 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.9 | -26.4 | -174.7 | -59.3 | -53.4 | 0 | 0 | 0 | 112.8 | M491 L492 | M491-H494 PolarHBondContact O-N 3.01Å; L492-H494 PolarHBondContact O-N 3.28Å |
| 495 | E | 77.5 | Confident | 75.3 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 29% | 0.285 | 29% | 0.285 | S | S | . | . | trans | -105.8 | 141.8 | 178.1 | -56 | -59.4 | 148.5 | 0 | 0 | 110.9 | E477 M491 L492 F497 | E477-E495 HydrophobicContact CG-CG 3.83Å; M491-E495 WeakPolarHBondContact O-CB 3.29Å; M491-E495 PolarHBondContact O-N 2.89Å; L492-E495 WeakPolarHBondContact CA-O 2.82Å; E495-F497 VanDerWaalsContact C-N 3.26Å; E495-F497 PolarHBondContact O-N 3.18Å | ||
| 496 | E | 79.4 | Confident | 73.4 | Confident | 147 Ų | 147 | 58.3 Ų | 58.3 | 69% | 0.687 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -68.8 | -26.7 | 177 | -70.6 | -174.5 | 159.9 | 0 | 0 | 112.8 | L451 | L451-E496 WeakPolarHBondContact CD1-OE2 3.16Š|
| 497 | F | 82.9 | Confident | 71.2 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 7% | 0.066 | 33% | 0.33 | C | S | . | . | trans | -153.6 | 161.1 | 175.8 | 71.7 | -81.8 | 0 | 0 | 0 | 110.4 | P435 F437 C449 L451 F476 E495 | P435-F497 HydrophobicContact CB-CE1 4.44Å; P435-F497 HydrophobicContact CB-CE2 4.4Å; P435-F497 HydrophobicContact CB-CZ 4.35Å; P435-F497 HydrophobicContact CG-CB 4.1Å; P435-F497 HydrophobicContact CG-CD1 3.56Å; P435-F497 HydrophobicContact CG-CD2 3.68Å; P435-F497 HydrophobicContact CG-CE1 3.88Å; P435-F497 HydrophobicContact CG-CE2 3.97Å; P435-F497 HydrophobicContact CG-CG 3.47Å; P435-F497 VanDerWaalsContact CG-CG 3.47Å; P435-F497 HydrophobicContact CG-CZ 4.07Å; F437-F497 HydrophobicContact CE1-CE2 4.06Å; F437-F497 HydrophobicContact CZ-CD2 4.42Å; F437-F497 HydrophobicContact CZ-CE2 4.09Å; C449-F497 HydrophobicContact CB-CZ 4.36Å; C449-F497 WeakPolarHBondContact SG-CZ 2.9Å; L451-F497 HydrophobicContact CD2-CD1 3.83Å; L451-F497 HydrophobicContact CD2-CE1 3.7Å; L451-F497 HydrophobicContact CG-CE1 4.42Å; F476-F497 HydrophobicContact CB-CE1 4.42Å; F476-F497 HydrophobicContact CB-CE2 3.78Å; F476-F497 HydrophobicContact CB-CZ 3.43Å; F476-F497 VanDerWaalsContact CB-CZ 3.43Å; F476-F497 HydrophobicContact CD2-CE2 4.03Å; F476-F497 HydrophobicContact CD2-CZ 4.42Å; F476-F497 AromaticContact CG-CE2 3.99Å; F476-F497 HydrophobicContact CG-CE2 3.99Å; F476-F497 AromaticContact CG-CZ 3.91Å; F476-F497 HydrophobicContact CG-CZ 3.91Å; E495-F497 VanDerWaalsContact C-N 3.26Å; E495-F497 PolarHBondContact O-N 3.18Å | ||
| 498 | V | 84.1 | Confident | 68.9 | Low | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | trans | -126.6 | 128.5 | 170 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | V479 V488 M491 L492 | V479-V498 HydrophobicContact CB-CG1 4.26Å; V479-V498 HydrophobicContact CG1-CG1 3.69Å; V479-V498 HydrophobicContact CG2-CG1 3.72Å; V488-V498 HydrophobicContact CG1-CB 4.08Å; V488-V498 HydrophobicContact CG1-CG1 4.32Å; V488-V498 HydrophobicContact CG1-CG2 4.26Å; M491-V498 HydrophobicContact CB-CG2 3.63Å; M491-V498 HydrophobicContact SD-CG1 4.2Å; M491-V498 HydrophobicContact SD-CG2 4.3Å; L492-V498 HydrophobicContact CD2-CB 4.47Å; L492-V498 HydrophobicContact CD2-CG2 3.89Å; L492-V498 HydrophobicContact CG-CG2 3.98Å | ||
| 499 | A | 84.5 | Confident | 66.5 | Low | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 135.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | F437 F476 E477 V478 V479 T510 | F437-A499 HydrophobicContact CE1-CB 4.04Å; F437-A499 HydrophobicContact CZ-CB 4.09Å; F476-A499 HydrophobicContact CD2-CB 3.65Å; F476-A499 HydrophobicContact CE2-CB 3.63Å; E477-A499 WeakPolarHBondContact O-CB 3.38Å; E477-A499 PolarHBondContact O-N 2.73Å; V478-A499 CarbonylContact C-O 3.49Å; V478-A499 VanDerWaalsContact CA-O 3.23Å; V478-A499 WeakPolarHBondContact CA-O 3.36Å; V478-A499 HydrophobicContact CG2-CB 4Å; V479-A499 PolarHBondContact N-O 3.36Å; A499-T510 HydrophobicContact CB-CG2 3.34Å |
| 500 | V | 81.3 | Confident | 64.5 | Low | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 115.8 | 178 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | V404 V479 E481 T509 T510 F511 | V404-V500 HydrophobicContact CG1-CB 4.25Å; V404-V500 HydrophobicContact CG1-CG1 3.73Å; V404-V500 HydrophobicContact CG1-CG2 3.48Å; V404-V500 VanDerWaalsContact CG1-CG2 3.48Å; V479-V500 HydrophobicContact CG2-CB 4.46Å; V479-V500 HydrophobicContact CG2-CG1 4.49Å; V479-V500 HydrophobicContact CG2-CG2 4.05Å; V479-V500 CarbonylContact O-C 3.56Å; V479-V500 WeakPolarHBondContact O-CA 3.13Å; E481-V500 HydrophobicContact CB-CG1 3.95Å; V500-T509 CarbonylContact O-C 3.58Å; V500-T510 WeakPolarHBondContact O-CA 3.3Å; V500-F511 HydrophobicContact CB-CB 3.97Å; V500-F511 HydrophobicContact CB-CD2 4.37Å; V500-F511 HydrophobicContact CG1-CD2 4.4Å; V500-F511 HydrophobicContact CG2-CB 4.15Å; V500-F511 PolarHBondContact N-O 2.87Å; V500-F511 PolarHBondContact O-N 3.01Å |
| 501 | G | 74.3 | Confident | 63 | Low | 10 Ų | 10 | 57.9 Ų | 57.9 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 147.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V479 D480 E481 | V479-G501 PolarHBondContact O-N 3.42Å; D480-G501 WeakPolarHBondContact CA-O 3.28Å; E481-G501 PolarHBondContact N-O 3.28Å; E481-G501 VanDerWaalsContact N-O 3.09Å |
| 502 | K | 68.6 | Low | 61 | Low | 100 Ų | 100 | 56.1 Ų | 56.1 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -81.1 | 117 | 168.4 | -99.4 | -176 | 177.6 | 178.5 | 0 | 110.6 | E481 | E481-K502 VanDerWaalsContact CD-CG 3.47Å; E481-K502 WeakPolarHBondContact OE2-CE 3.23Å; E481-K502 WeakPolarHBondContact OE2-CG 3.48Å |
| 503 | G | 58.6 | Low | 58.7 | Low | 54 Ų | 54 | 55.4 Ų | 55.4 | 56% | 0.557 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | 77 | 29.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D480 V505 | D480-G503 WeakPolarHBondContact OD2-CA 3.39Å; D480-G503 PolarHBondContact OD2-N 2.8Å; D480-G503 VanDerWaalsContact OD2-N 3.14Å; G503-V505 PolarHBondContact O-N 3.18Å |
| 504 | G | 44.9 | Very low | 56.6 | Low | 57 Ų | 57 | 54.3 Ų | 54.3 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | 60.6 | -2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | D480 | D480-G504 PolarHBondContact OD2-N 3.42Š|
| 505 | V | 38.1 | Very low | 54.4 | Low | 103 Ų | 103 | 53.3 Ų | 53.3 | 62% | 0.624 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -132.7 | 107.1 | -172.3 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | G503 A507 | G503-V505 PolarHBondContact O-N 3.18Å; V505-A507 WeakPolarHBondContact O-CB 3.31Å; V505-A507 PolarHBondContact O-N 3.47Å |
| 506 | H | 45.4 | Very low | 52.1 | Low | 129 Ų | 129 | 58.9 Ų | 58.9 | 60% | 0.597 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 26.8 | 13.1 | 155.6 | -70.3 | -66.1 | 0 | 0 | 0 | 121.5 | R445 A508 | R445-H506 HydrophobicContact CB-CB 4.32Å; H506-A508 PolarHBondContact O-N 2.86Å |
| 507 | A | 35.5 | Very low | 49.6 | Very low | 53 Ų | 53 | 66.2 Ų | 66.2 | 44% | 0.438 | 36% | 0.363 | S | S | . | . | trans | -87.8 | 96.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | V505 T509 | V505-A507 WeakPolarHBondContact O-CB 3.31Å; V505-A507 PolarHBondContact O-N 3.47Å; A507-T509 VanDerWaalsContact C-N 3.31Å; A507-T509 PolarHBondContact O-N 3.48Å | ||
| 508 | A | 32.5 | Very low | 48 | Very low | 38 Ų | 38 | 68.8 Ų | 68.8 | 31% | 0.314 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -46.5 | 86.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F414 L439 H506 | F414-A508 HydrophobicContact CE1-CB 3.67Å; F414-A508 HydrophobicContact CE2-CB 4.15Å; F414-A508 HydrophobicContact CZ-CB 3.43Å; F414-A508 VanDerWaalsContact CZ-CB 3.43Å; L439-A508 HydrophobicContact CD2-CB 4.45Å; H506-A508 PolarHBondContact O-N 2.86Å |
| 509 | T | 35.2 | Very low | 46.1 | Very low | 50 Ų | 50 | 72.1 Ų | 72.1 | 31% | 0.307 | 40% | 0.396 | S | S | . | . | trans | -130.1 | 64.5 | 151.4 | -5.8 | 0 | 0 | 0 | 0 | 106.1 | V500 A507 F511 | V500-T509 CarbonylContact O-C 3.58Å; A507-T509 VanDerWaalsContact C-N 3.31Å; A507-T509 PolarHBondContact O-N 3.48Å; T509-F511 HydrophobicContact CG2-CE2 4.25Å; T509-F511 HydrophobicContact CG2-CZ 4.24Å; T509-F511 WeakPolarHBondContact O-CD2 3.26Å; T509-F511 WeakPolarHBondContact O-CE2 3.46Å; T509-F511 PolarHBondContact O-N 2.92Å | ||
| 510 | T | 41.3 | Very low | 43.9 | Very low | 9 Ų | 9 | 76 Ų | 76 | 6% | 0.055 | 42% | 0.417 | C | S | . | . | trans | -76.1 | 97.7 | -171.5 | -36.2 | 0 | 0 | 0 | 0 | 112.2 | P412 F437 A499 V500 | P412-T510 WeakPolarHBondContact CB-O 3.13Å; P412-T510 WeakPolarHBondContact CD-O 3.34Å; P412-T510 WeakPolarHBondContact CG-O 3.35Å; F437-T510 HydrophobicContact CD1-CG2 4.23Å; F437-T510 HydrophobicContact CD2-CG2 4.06Å; F437-T510 HydrophobicContact CE1-CG2 3.7Å; F437-T510 HydrophobicContact CE2-CG2 3.51Å; F437-T510 HydrophobicContact CG-CG2 4.39Å; F437-T510 HydrophobicContact CZ-CG2 3.31Å; A499-T510 HydrophobicContact CB-CG2 3.34Å; V500-T510 WeakPolarHBondContact O-CA 3.3Å | ||
| 511 | F | 42.8 | Very low | 41.7 | Very low | 53 Ų | 53 | 80.1 Ų | 80.1 | 23% | 0.232 | 44% | 0.439 | C | S | . | . | B | Isolated β-bridge | trans | -81.3 | 145.8 | 176.1 | -62.1 | -83.1 | 0 | 0 | 0 | 112 | V409 V500 T509 | V409-F511 HydrophobicContact CB-CB 3.83Å; V409-F511 HydrophobicContact CB-CD1 3.99Å; V409-F511 HydrophobicContact CB-CG 4.31Å; V409-F511 HydrophobicContact CG2-CB 3.44Å; V409-F511 VanDerWaalsContact CG2-CB 3.44Å; V409-F511 HydrophobicContact CG2-CD1 3.46Å; V409-F511 VanDerWaalsContact CG2-CD1 3.46Å; V409-F511 HydrophobicContact CG2-CE1 4.37Å; V409-F511 HydrophobicContact CG2-CG 3.62Å; V500-F511 HydrophobicContact CB-CB 3.97Å; V500-F511 HydrophobicContact CB-CD2 4.37Å; V500-F511 HydrophobicContact CG1-CD2 4.4Å; V500-F511 HydrophobicContact CG2-CB 4.15Å; V500-F511 PolarHBondContact N-O 2.87Å; V500-F511 PolarHBondContact O-N 3.01Å; T509-F511 HydrophobicContact CG2-CE2 4.25Å; T509-F511 HydrophobicContact CG2-CZ 4.24Å; T509-F511 WeakPolarHBondContact O-CD2 3.26Å; T509-F511 WeakPolarHBondContact O-CE2 3.46Å; T509-F511 PolarHBondContact O-N 2.92Å |
| 512 | V | 36.7 | Very low | 39.7 | Very low | 8 Ų | 8 | 84.4 Ų | 84.4 | 5% | 0.048 | 46% | 0.46 | C | S | . | . | trans | -125.2 | 112.9 | 174.5 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | V409 K434 F437 P514 | V409-V512 WeakPolarHBondContact CG1-O 3.28Å; K434-V512 HydrophobicContact CB-CB 4.47Å; K434-V512 HydrophobicContact CB-CG1 4.17Å; K434-V512 HydrophobicContact CD-CB 3.98Å; K434-V512 HydrophobicContact CD-CG1 4.07Å; K434-V512 HydrophobicContact CG-CB 4.31Å; K434-V512 HydrophobicContact CG-CG1 3.91Å; K434-V512 PolarHBondContact NZ-O 3.39Å; K434-V512 VanDerWaalsContact NZ-O 3.07Å; F437-V512 HydrophobicContact CE2-CG2 3.88Å; F437-V512 HydrophobicContact CZ-CG2 4.2Å; V512-P514 WeakPolarHBondContact O-CD 3.29Å | ||
| 513 | A | 33.4 | Very low | 37.8 | Very low | 26 Ų | 26 | 83.4 Ų | 83.4 | 22% | 0.215 | 46% | 0.462 | C | S | . | . | trans | -89.1 | 114.2 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | L407 V409 F515 | L407-A513 HydrophobicContact CD1-CB 4.4Å; V409-A513 VanDerWaalsContact CG1-CA 3.43Å; V409-A513 HydrophobicContact CG1-CB 3.56Å; A513-F515 HydrophobicContact CB-CD2 4.11Å; A513-F515 HydrophobicContact CB-CE2 4.08Å; A513-F515 PolarHBondContact O-N 2.98Å | ||
| 514 | P | 34.9 | Very low | 36.3 | Very low | 72 Ų | 72 | 85.5 Ų | 85.5 | 47% | 0.468 | 46% | 0.455 | S | S | . | . | trans | -76.4 | 101.5 | 164.9 | 29.7 | -26 | 0 | 0 | 0 | 107.6 | V512 F516 | V512-P514 WeakPolarHBondContact O-CD 3.29Å; P514-F516 HydrophobicContact CB-CD2 3.86Å; P514-F516 HydrophobicContact CB-CE2 3.74Å; P514-F516 PolarHBondContact O-N 3.28Å | ||
| 515 | F | 31.1 | Very low | 35.6 | Very low | 120 Ų | 120 | 87.7 Ų | 87.7 | 53% | 0.526 | 45% | 0.445 | S | S | . | . | trans | -87.8 | 91 | 157.9 | -81.6 | -80.9 | 0 | 0 | 0 | 107.1 | L407 L492 A513 | L407-F515 HydrophobicContact CD1-CE2 4.17Å; L407-F515 HydrophobicContact CD1-CZ 4.45Å; L407-F515 HydrophobicContact CD2-CZ 4.43Å; L492-F515 HydrophobicContact CD1-CD2 4.01Å; A513-F515 HydrophobicContact CB-CD2 4.11Å; A513-F515 HydrophobicContact CB-CE2 4.08Å; A513-F515 PolarHBondContact O-N 2.98Å | ||
| 516 | F | 28.8 | Very low | 35.4 | Very low | 178 Ų | 178 | 86.4 Ų | 86.4 | 78% | 0.781 | 43% | 0.43 | S | S | * | . | trans | -79.8 | 135.6 | 158 | -72.1 | -79.6 | 0 | 0 | 0 | 107.6 | P514 | P514-F516 HydrophobicContact CB-CD2 3.86Å; P514-F516 HydrophobicContact CB-CE2 3.74Å; P514-F516 PolarHBondContact O-N 3.28Å | ||
| 517 | Y | 27.3 | Very low | 34.5 | Very low | 301 Ų | 301 | 82.5 Ų | 82.5 | 100% | 1.18 | 42% | 0.415 | S | S | * | . | trans | -46.2 | 0 | 171.4 | -89.2 | -88.7 | 0 | 0 | 0 | 113.6 |
Retrieved 517 of 517 residues in 1193.6 ms
(Link to these results)