| 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 | 21.9 | Very low | 24.2 | Very low | 242 Ų | 242 | 135.1 Ų | 135.1 | 100% | 1.192 | 74% | 0.736 | S | S | * | * | 0 | 97.2 | 0 | -167.8 | 174.2 | -79.5 | 0 | 0 | 106.1 | |||||
| 2 | F | 19.8 | Very low | 24.5 | Very low | 219 Ų | 219 | 124.3 Ų | 124.3 | 96% | 0.961 | 68% | 0.678 | S | S | * | * | trans | -74 | 126.1 | 174.9 | -85.4 | -102.5 | 0 | 0 | 0 | 108.2 | ||||
| 3 | C | 19.9 | Very low | 25.6 | Very low | 109 Ų | 109 | 115.7 Ų | 115.7 | 74% | 0.736 | 63% | 0.629 | S | S | * | * | trans | -144.3 | 103.2 | 157.4 | -159.5 | 0 | 0 | 0 | 0 | 102.8 | ||||
| 4 | G | 21.1 | Very low | 26.1 | Very low | 63 Ų | 63 | 108.5 Ų | 108.5 | 65% | 0.649 | 59% | 0.59 | S | S | * | * | 80.6 | 53.8 | 63.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 5 | Y | 24.3 | Very low | 26.6 | Very low | 217 Ų | 217 | 103 Ų | 103 | 85% | 0.851 | 56% | 0.56 | S | S | * | * | trans | -113.7 | 96.7 | 159.1 | -85.3 | -85.3 | 0 | 0 | 0 | 108.3 | C7 | Y5-C7 PolarHBondContact O-N 3.31Š| ||
| 6 | H | 24.2 | Very low | 27.5 | Very low | 179 Ų | 179 | 97.6 Ų | 97.6 | 83% | 0.829 | 53% | 0.53 | S | S | * | . | trans | -45.4 | 128.8 | 151.9 | -88.5 | 32.9 | 0 | 0 | 0 | 108.7 | G8 | H6-G8 PolarHBondContact O-N 2.65Š| ||
| 7 | C | 24.9 | Very low | 28 | Very low | 125 Ų | 125 | 96.9 Ų | 96.9 | 85% | 0.845 | 52% | 0.521 | S | S | * | . | trans | -64.4 | 89.7 | 157.6 | -79.9 | 0 | 0 | 0 | 0 | 107.8 | Y5 | Y5-C7 PolarHBondContact O-N 3.31Š| ||
| 8 | G | 25.7 | Very low | 28.6 | Very low | 52 Ų | 52 | 95.9 Ų | 95.9 | 54% | 0.536 | 51% | 0.512 | S | S | . | . | trans | -85.8 | 120.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | H6 D10 | H6-G8 PolarHBondContact O-N 2.65Å; G8-D10 VanDerWaalsContact C-N 3.29Å; G8-D10 PolarHBondContact O-N 3.16Å | ||
| 9 | N | 28.2 | Very low | 29.5 | Very low | 103 Ų | 103 | 93.5 Ų | 93.5 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 16.5 | 7.6 | 155.2 | -69.8 | -10.9 | 0 | 0 | 0 | 125.5 | F308 | N9-F308 HydrophobicContact CB-CG 4.37Å; N9-F308 WeakPolarHBondContact O-CD2 3.34Å; N9-F308 WeakPolarHBondContact O-CE2 3.29Å; N9-F308 VanDerWaalsContact OD1-CD1 3.32Å; N9-F308 WeakPolarHBondContact OD1-CD1 3.47Å |
| 10 | D | 26.7 | Very low | 31 | Very low | 115 Ų | 115 | 93.8 Ų | 93.8 | 62% | 0.615 | 50% | 0.499 | S | S | * | . | trans | -124.9 | 10.2 | -167.8 | -66.7 | -39.2 | 0 | 0 | 0 | 116.9 | G8 | G8-D10 VanDerWaalsContact C-N 3.29Å; G8-D10 PolarHBondContact O-N 3.16Å | ||
| 11 | D | 29.1 | Very low | 32.5 | Very low | 62 Ų | 62 | 92.4 Ų | 92.4 | 33% | 0.332 | 50% | 0.495 | S | S | . | . | trans | -98.4 | 107 | 178.3 | -67 | -34.1 | 0 | 0 | 0 | 112.6 | Y13 | D11-Y13 VanDerWaalsContact C-CE2 3.46Å; D11-Y13 HydrophobicContact CB-CD2 4.48Å; D11-Y13 HydrophobicContact CB-CE1 4.44Å; D11-Y13 HydrophobicContact CB-CE2 3.53Å; D11-Y13 VanDerWaalsContact CB-CZ 3.43Å; D11-Y13 WeakPolarHBondContact CB-OH 3.24Å; D11-Y13 WeakPolarHBondContact O-CD2 3.21Å; D11-Y13 WeakPolarHBondContact O-CE2 3.37Å | ||
| 12 | V | 28.4 | Very low | 34.9 | Very low | 6 Ų | 6 | 87.1 Ų | 87.1 | 4% | 0.036 | 47% | 0.466 | C | S | . | . | trans | -111.5 | 161.8 | 165.3 | 179 | 0 | 0 | 0 | 0 | 107.3 | C115 V305 | V12-C115 HydrophobicContact CB-CB 3.76Å; V12-C115 HydrophobicContact CG1-CB 4.24Å; V12-C115 PolarHBondContact O-SG 3.45Å; V12-V305 HydrophobicContact CB-CG2 4.08Å; V12-V305 HydrophobicContact CG1-CG2 3.75Å; V12-V305 HydrophobicContact CG2-CB 3.79Å; V12-V305 HydrophobicContact CG2-CG1 3.8Å; V12-V305 HydrophobicContact CG2-CG2 3.71Å | ||
| 13 | Y | 38.8 | Very low | 37.4 | Very low | 12 Ų | 12 | 82.4 Ų | 82.4 | 5% | 0.047 | 45% | 0.447 | C | S | . | . | B | Isolated β-bridge | trans | -155.6 | 130.6 | -161.9 | -57 | -107.5 | 0 | 0 | 0 | 111.4 | D11 H117 I290 V291 I292 P293 | D11-Y13 VanDerWaalsContact C-CE2 3.46Å; D11-Y13 HydrophobicContact CB-CD2 4.48Å; D11-Y13 HydrophobicContact CB-CE1 4.44Å; D11-Y13 HydrophobicContact CB-CE2 3.53Å; D11-Y13 VanDerWaalsContact CB-CZ 3.43Å; D11-Y13 WeakPolarHBondContact CB-OH 3.24Å; D11-Y13 WeakPolarHBondContact O-CD2 3.21Å; D11-Y13 WeakPolarHBondContact O-CE2 3.37Å; Y13-H117 HydrophobicContact CD1-CB 3.36Å; Y13-H117 AromaticContact CD1-CD2 3.19Å; Y13-H117 WeakPolarHBondContact CD1-CD2 3.43Å; Y13-H117 AromaticContact CD1-CE1 3.79Å; Y13-H117 AromaticContact CD1-CG 3.12Å; Y13-H117 AromaticContact CD1-ND1 3.56Å; Y13-H117 AromaticContact CD1-NE2 3.6Å; Y13-H117 HydrophobicContact CE1-CB 3.44Å; Y13-H117 VanDerWaalsContact CE1-CB 3.44Å; Y13-H117 AromaticContact CE1-CD2 3.52Å; Y13-H117 AromaticContact CE1-CE1 3.31Å; Y13-H117 WeakPolarHBondContact CE1-CE1 3.16Å; Y13-H117 AromaticContact CE1-CG 3.08Å; Y13-H117 AromaticContact CE1-ND1 2.98Å; Y13-H117 WeakPolarHBondContact CE1-ND1 3.42Å; Y13-H117 AromaticContact CE1-NE2 3.62Å; Y13-H117 HydrophobicContact CG-CB 4.02Å; Y13-H117 AromaticContact CZ-ND1 3.91Å; Y13-I290 HydrophobicContact CD1-CG2 4.14Å; Y13-I290 HydrophobicContact CE1-CG2 3.3Å; Y13-I290 HydrophobicContact CE2-CG2 4.02Å; Y13-I290 WeakPolarHBondContact OH-CG2 3.29Å; Y13-V291 WeakPolarHBondContact CB-O 3.42Å; Y13-V291 WeakPolarHBondContact CD2-O 3.42Å; Y13-I292 HydrophobicContact CD1-CG2 3.42Å; Y13-I292 VanDerWaalsContact CD1-CG2 3.42Å; Y13-I292 HydrophobicContact CE1-CG2 4.28Å; Y13-I292 HydrophobicContact CG-CG2 3.75Å; Y13-P293 WeakPolarHBondContact O-CD 3.25Å; Y13-P293 WeakPolarHBondContact O-CG 3.3Å |
| 14 | I | 32.9 | Very low | 40.1 | Very low | 15 Ų | 15 | 78.7 Ų | 78.7 | 8% | 0.077 | 42% | 0.42 | C | S | . | . | trans | -146.9 | 125.9 | -178.9 | -56.1 | -166.8 | 0 | 0 | 0 | 115.6 | I16 V110 P293 S295 I301 | I14-I16 HydrophobicContact CG2-CG1 4.1Å; I14-V110 HydrophobicContact CB-CG2 4.21Å; I14-V110 HydrophobicContact CD1-CG2 3.77Å; I14-V110 HydrophobicContact CG1-CG2 4.16Å; I14-P293 VanDerWaalsContact CA-O 3.24Å; I14-P293 WeakPolarHBondContact CA-O 3.29Å; I14-P293 WeakPolarHBondContact CB-O 3.38Å; I14-P293 VanDerWaalsContact CG1-O 3.28Å; I14-P293 WeakPolarHBondContact CG1-O 3.4Å; I14-S295 WeakPolarHBondContact CG2-O 3.4Å; I14-I301 HydrophobicContact CD1-CB 3.93Å; I14-I301 HydrophobicContact CD1-CD1 4.43Å; I14-I301 HydrophobicContact CD1-CG1 3.51Å; I14-I301 HydrophobicContact CD1-CG2 3.81Å | ||
| 15 | L | 32.5 | Very low | 43.1 | Very low | 26 Ų | 26 | 79.7 Ų | 79.7 | 14% | 0.136 | 42% | 0.415 | C | S | . | . | trans | -95.6 | 162.4 | 156.3 | -87.4 | 170.1 | 0 | 0 | 0 | 111.2 | D119 Y124 I292 K294 S295 | L15-D119 WeakPolarHBondContact CD1-OD2 3.31Å; L15-D119 WeakPolarHBondContact CD2-O 3.37Å; L15-D119 HydrophobicContact CG-CB 4.49Å; L15-D119 WeakPolarHBondContact CG-O 3.4Å; L15-Y124 HydrophobicContact CD1-CE2 3.75Å; L15-Y124 HydrophobicContact CD2-CD2 3.4Å; L15-Y124 VanDerWaalsContact CD2-CD2 3.4Å; L15-Y124 HydrophobicContact CD2-CE2 3.34Å; L15-Y124 HydrophobicContact CD2-CG 4.47Å; L15-Y124 HydrophobicContact CG-CE2 4.18Å; L15-I292 HydrophobicContact CD1-CD1 4.42Å; L15-K294 HydrophobicContact CB-CB 4.14Å; L15-K294 HydrophobicContact CB-CD 4.33Å; L15-K294 CarbonylContact O-C 3.45Å; L15-K294 WeakPolarHBondContact O-CA 3.4Å; L15-K294 WeakPolarHBondContact O-CB 3.39Å; L15-K294 WeakPolarHBondContact O-CG 3.21Å; L15-S295 PolarHBondContact O-N 2.91Å; L15-S295 VanDerWaalsContact O-N 3.09Å | ||
| 16 | I | 41.3 | Very low | 46.1 | Very low | 16 Ų | 16 | 71.3 Ų | 71.3 | 8% | 0.082 | 39% | 0.386 | C | S | . | . | trans | -129.8 | 138.5 | -162.9 | -88.6 | 168.8 | 0 | 0 | 0 | 115.1 | I14 V98 L103 A106 K294 S295 T296 | I14-I16 HydrophobicContact CG2-CG1 4.1Å; I16-V98 HydrophobicContact CB-CG2 4.44Å; I16-V98 HydrophobicContact CG2-CB 3.16Å; I16-V98 HydrophobicContact CG2-CG1 3.7Å; I16-V98 HydrophobicContact CG2-CG2 3.09Å; I16-L103 HydrophobicContact CB-CD1 4.27Å; I16-L103 HydrophobicContact CD1-CD1 3.26Å; I16-L103 HydrophobicContact CG1-CD1 4.34Å; I16-L103 HydrophobicContact CG2-CD1 4.2Å; I16-A106 HydrophobicContact CD1-CB 3.51Å; I16-A106 HydrophobicContact CG1-CB 4.41Å; I16-K294 VanDerWaalsContact C-NZ 3.34Å; I16-K294 VanDerWaalsContact CA-CE 3.48Å; I16-K294 WeakPolarHBondContact O-CE 3.17Å; I16-K294 PolarHBondContact O-NZ 3.26Å; I16-S295 WeakPolarHBondContact CG1-O 3.38Å; I16-T296 HydrophobicContact CB-CG2 3.86Å; I16-T296 HydrophobicContact CD1-CG2 4.22Å; I16-T296 HydrophobicContact CG1-CG2 3.62Å; I16-T296 HydrophobicContact CG2-CG2 3.27Å | ||
| 17 | K | 36.8 | Very low | 49.1 | Very low | 87 Ų | 87 | 62.8 Ų | 62.8 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | trans | -30.8 | 151.1 | -157.2 | -156.3 | 179 | 168 | -174.5 | 0 | 120.5 | V98 T296 | K17-V98 HydrophobicContact CB-CG2 4.29Å; K17-V98 WeakPolarHBondContact O-CG2 3.44Å; K17-T296 HydrophobicContact CB-CG2 4.19Å | ||
| 18 | E | 39 | Very low | 52.1 | Low | 78 Ų | 78 | 57.1 Ų | 57.1 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | trans | -73.5 | 148.8 | 167.1 | -67.9 | -173.8 | 156.3 | 0 | 0 | 111.3 | K20 | E18-K20 PolarHBondContact O-N 3.13Š| ||
| 19 | P | 44.5 | Very low | 55.1 | Low | 50 Ų | 50 | 60.5 Ų | 60.5 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | trans | -59.2 | 139.3 | 167.7 | -6.2 | 18.3 | 0 | 0 | 0 | 109 | P21 R94 | P19-P21 VanDerWaalsContact C-CD 3.49Å; P19-P21 WeakPolarHBondContact O-CD 3.44Å; P19-R94 HydrophobicContact CB-CB 4.16Å; P19-R94 HydrophobicContact CG-CB 4.07Å; P19-R94 WeakPolarHBondContact CG-O 3.14Å | ||
| 20 | K | 59.8 | Low | 58.1 | Low | 100 Ų | 100 | 55.8 Ų | 55.8 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | trans | -100.8 | 89.2 | 169.8 | -70.9 | -178.9 | 168.9 | -171.7 | 0 | 107.5 | E18 F22 E23 | E18-K20 PolarHBondContact O-N 3.13Å; K20-F22 PolarHBondContact O-N 3.15Å; K20-F22 VanDerWaalsContact O-N 3.14Å; K20-E23 HydrophobicContact CB-CB 4.07Å; K20-E23 HydrophobicContact CB-CG 4.08Å; K20-E23 HydrophobicContact CD-CG 4.16Å; K20-E23 WeakPolarHBondContact CD-OE1 2.88Å; K20-E23 WeakPolarHBondContact CD-OE2 3.32Å; K20-E23 WeakPolarHBondContact CE-OE1 3.48Å; K20-E23 IonicContact NZ-OE1 3.72Å; K20-E23 PolarHBondContact NZ-OE1 3.18Å; K20-E23 IonicContact NZ-OE2 3.87Å; K20-E23 PolarHBondContact NZ-OE2 3.4Å; K20-E23 PolarHBondContact O-N 3.48Å | ||
| 21 | P | 62.9 | Low | 61.1 | Low | 65 Ų | 65 | 50.3 Ų | 50.3 | 42% | 0.422 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -56.4 | -31.1 | -178.8 | 20.9 | -32.4 | 0 | 0 | 0 | 111.9 | P19 E23 D24 I44 L48 | P19-P21 VanDerWaalsContact C-CD 3.49Å; P19-P21 WeakPolarHBondContact O-CD 3.44Å; P21-E23 PolarHBondContact O-N 3.2Å; P21-E23 VanDerWaalsContact O-N 3.16Å; P21-D24 WeakPolarHBondContact O-CB 3.44Å; P21-D24 PolarHBondContact O-N 2.89Å; P21-I44 WeakPolarHBondContact O-CG2 3.4Å; P21-L48 HydrophobicContact CB-CD1 3.7Å; P21-L48 WeakPolarHBondContact O-CD1 3.2Å |
| 22 | F | 72.1 | Confident | 63.8 | Low | 131 Ų | 131 | 50 Ų | 50 | 58% | 0.575 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -72.7 | 1.5 | 175.8 | -49.3 | -58.5 | 0 | 0 | 0 | 115.1 | K20 I44 S45 L48 | K20-F22 PolarHBondContact O-N 3.15Å; K20-F22 VanDerWaalsContact O-N 3.14Å; F22-I44 WeakPolarHBondContact O-CD1 3.47Å; F22-S45 VanDerWaalsContact CE1-CB 3.41Å; F22-L48 HydrophobicContact CD1-CD1 4.39Å |
| 23 | E | 71.5 | Confident | 66.6 | Low | 120 Ų | 120 | 56.8 Ų | 56.8 | 56% | 0.561 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -120.8 | 15.8 | 173.6 | -63.7 | 178.7 | -170.4 | 0 | 0 | 110.9 | K20 P21 | K20-E23 HydrophobicContact CB-CB 4.07Å; K20-E23 HydrophobicContact CB-CG 4.08Å; K20-E23 HydrophobicContact CD-CG 4.16Å; K20-E23 WeakPolarHBondContact CD-OE1 2.88Å; K20-E23 WeakPolarHBondContact CD-OE2 3.32Å; K20-E23 WeakPolarHBondContact CE-OE1 3.48Å; K20-E23 IonicContact NZ-OE1 3.72Å; K20-E23 PolarHBondContact NZ-OE1 3.18Å; K20-E23 IonicContact NZ-OE2 3.87Å; K20-E23 PolarHBondContact NZ-OE2 3.4Å; K20-E23 PolarHBondContact O-N 3.48Å; P21-E23 PolarHBondContact O-N 3.2Å; P21-E23 VanDerWaalsContact O-N 3.16Å |
| 24 | D | 78.1 | Confident | 68.9 | Low | 31 Ų | 31 | 58.6 Ų | 58.6 | 17% | 0.166 | 30% | 0.3 | C | S | . | . | trans | -70.6 | 127.3 | -178.5 | -173.6 | -88.2 | 0 | 0 | 0 | 111.4 | P21 V26 A27 G28 | P21-D24 WeakPolarHBondContact O-CB 3.44Å; P21-D24 PolarHBondContact O-N 2.89Å; D24-V26 PolarHBondContact O-N 3.33Å; D24-V26 WeakPolarHBondContact OD1-CA 3.43Å; D24-V26 WeakPolarHBondContact OD1-CB 3.46Å; D24-V26 PolarHBondContact OD1-N 3.2Å; D24-A27 HydrophobicContact CB-CB 4.1Å; D24-A27 PolarHBondContact O-N 3.31Å; D24-A27 PolarHBondContact OD1-N 2.88Å; D24-A27 VanDerWaalsContact OD1-N 3.08Å; D24-G28 PolarHBondContact O-N 3.07Å | ||
| 25 | P | 83.7 | Confident | 71.1 | Confident | 84 Ų | 84 | 61.4 Ų | 61.4 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.7 | -35.1 | -175.6 | 25.8 | -34.1 | 0 | 0 | 0 | 112.9 | G28 E29 | P25-G28 PolarHBondContact O-N 2.95Å; P25-E29 WeakPolarHBondContact O-CG 3.4Å; P25-E29 PolarHBondContact O-N 2.74Å |
| 26 | V | 87.4 | Confident | 73 | Confident | 40 Ų | 40 | 61.6 Ų | 61.6 | 24% | 0.242 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 178.9 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | D24 G28 E29 I30 A87 L88 V91 | D24-V26 PolarHBondContact O-N 3.33Å; D24-V26 WeakPolarHBondContact OD1-CA 3.43Å; D24-V26 WeakPolarHBondContact OD1-CB 3.46Å; D24-V26 PolarHBondContact OD1-N 3.2Å; V26-G28 VanDerWaalsContact C-N 3.27Å; V26-G28 PolarHBondContact O-N 3.47Å; V26-E29 PolarHBondContact O-N 3.48Å; V26-I30 HydrophobicContact CG1-CD1 3.94Å; V26-I30 VanDerWaalsContact O-CG1 3.25Å; V26-I30 WeakPolarHBondContact O-CG1 3.41Å; V26-I30 PolarHBondContact O-N 2.72Å; V26-A87 HydrophobicContact CG1-CB 3.97Å; V26-L88 HydrophobicContact CG1-CD2 4.13Å; V26-L88 HydrophobicContact CG1-CG 4.5Å; V26-V91 HydrophobicContact CB-CG2 3.88Å; V26-V91 HydrophobicContact CG1-CG2 4.07Å; V26-V91 HydrophobicContact CG2-CG2 3.88Å |
| 27 | A | 87.5 | Confident | 74.1 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.2 | -33.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D24 A31 I44 I47 L48 L88 | D24-A27 HydrophobicContact CB-CB 4.1Å; D24-A27 PolarHBondContact O-N 3.31Å; D24-A27 PolarHBondContact OD1-N 2.88Å; D24-A27 VanDerWaalsContact OD1-N 3.08Å; A27-A31 VanDerWaalsContact O-CB 3.3Å; A27-A31 WeakPolarHBondContact O-CB 3.45Å; A27-A31 PolarHBondContact O-N 2.75Å; A27-I44 HydrophobicContact CB-CG2 3.7Å; A27-I47 HydrophobicContact CB-CG2 4.28Å; A27-L48 HydrophobicContact CB-CD2 3.96Å; A27-L48 HydrophobicContact CB-CG 4.31Å; A27-L88 HydrophobicContact CB-CD2 4.18Å |
| 28 | G | 87.3 | Confident | 75.2 | Confident | 7 Ų | 7 | 62 Ų | 62 | 7% | 0.072 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D24 P25 V26 I30 A31 A32 P38 | D24-G28 PolarHBondContact O-N 3.07Å; P25-G28 PolarHBondContact O-N 2.95Å; V26-G28 VanDerWaalsContact C-N 3.27Å; V26-G28 PolarHBondContact O-N 3.47Å; G28-I30 PolarHBondContact O-N 2.89Å; G28-A31 WeakPolarHBondContact O-CB 3.39Å; G28-A31 PolarHBondContact O-N 2.72Å; G28-A32 PolarHBondContact O-N 2.9Å; G28-P38 VanDerWaalsContact O-CG 3.29Å; G28-P38 WeakPolarHBondContact O-CG 3.29Å |
| 29 | E | 89.6 | Confident | 76.2 | Confident | 122 Ų | 122 | 63.3 Ų | 63.3 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.1 | -42.2 | 176.1 | -75.3 | 175 | -165.3 | 0 | 0 | 112 | P25 V26 A32 K33 | P25-E29 WeakPolarHBondContact O-CG 3.4Å; P25-E29 PolarHBondContact O-N 2.74Å; V26-E29 PolarHBondContact O-N 3.48Å; E29-A32 PolarHBondContact O-N 3.4Å; E29-K33 WeakPolarHBondContact O-CG 3.11Å; E29-K33 PolarHBondContact O-N 3.27Å; E29-K33 VanDerWaalsContact O-N 3.16Å |
| 30 | I | 91.1 | Very high | 77.2 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 175.9 | -66.8 | 169.8 | 0 | 0 | 0 | 110 | V26 G28 A32 K33 H34 I47 L80 E84 L88 | V26-I30 HydrophobicContact CG1-CD1 3.94Å; V26-I30 VanDerWaalsContact O-CG1 3.25Å; V26-I30 WeakPolarHBondContact O-CG1 3.41Å; V26-I30 PolarHBondContact O-N 2.72Å; G28-I30 PolarHBondContact O-N 2.89Å; I30-A32 VanDerWaalsContact C-N 3.28Å; I30-A32 PolarHBondContact O-N 2.94Å; I30-K33 WeakPolarHBondContact O-CB 3.46Å; I30-K33 PolarHBondContact O-N 3.4Å; I30-H34 PolarHBondContact O-CD2 3.47Å; I30-H34 VanDerWaalsContact O-CD2 3.28Å; I30-H34 PolarHBondContact O-N 3.27Å; I30-I47 HydrophobicContact CB-CG2 4.07Å; I30-I47 HydrophobicContact CG2-CD1 4.02Å; I30-I47 HydrophobicContact CG2-CG1 4.3Å; I30-I47 HydrophobicContact CG2-CG2 3.66Å; I30-L80 HydrophobicContact CG2-CD2 3.62Å; I30-E84 HydrophobicContact CD1-CB 3.98Å; I30-E84 HydrophobicContact CD1-CG 4.3Å; I30-E84 HydrophobicContact CG1-CB 4.3Å; I30-E84 HydrophobicContact CG1-CG 4.07Å; I30-E84 HydrophobicContact CG2-CB 4.41Å; I30-E84 HydrophobicContact CG2-CG 4.24Å; I30-L88 HydrophobicContact CD1-CD1 3.69Å; I30-L88 HydrophobicContact CD1-CD2 3.93Å; I30-L88 HydrophobicContact CD1-CG 3.51Å |
| 31 | A | 88 | Confident | 77.4 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -52.6 | -46.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A27 G28 K33 H34 K36 V43 I47 | A27-A31 VanDerWaalsContact O-CB 3.3Å; A27-A31 WeakPolarHBondContact O-CB 3.45Å; A27-A31 PolarHBondContact O-N 2.75Å; G28-A31 WeakPolarHBondContact O-CB 3.39Å; G28-A31 PolarHBondContact O-N 2.72Å; A31-K33 VanDerWaalsContact C-N 3.32Å; A31-K33 PolarHBondContact O-N 3.25Å; A31-H34 CarbonylContact O-C 3.56Å; A31-H34 PolarHBondContact O-N 3.26Å; A31-H34 VanDerWaalsContact O-N 3.14Å; A31-K36 CarbonylContact C-O 3.5Å; A31-K36 PolarHBondContact O-N 2.97Å; A31-V43 HydrophobicContact CB-CG1 3.37Å; A31-I47 HydrophobicContact CB-CG1 3.88Å |
| 32 | A | 86.4 | Confident | 77.5 | Confident | 55 Ų | 55 | 61.8 Ų | 61.8 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G28 E29 I30 H34 G35 K36 P38 | G28-A32 PolarHBondContact O-N 2.9Å; E29-A32 PolarHBondContact O-N 3.4Å; I30-A32 VanDerWaalsContact C-N 3.28Å; I30-A32 PolarHBondContact O-N 2.94Å; A32-H34 VanDerWaalsContact C-N 3.31Å; A32-H34 PolarHBondContact O-N 3.38Å; A32-G35 PolarHBondContact O-N 3.02Å; A32-G35 VanDerWaalsContact O-N 3.16Å; A32-K36 WeakPolarHBondContact CA-O 3.27Å; A32-K36 PolarHBondContact N-O 2.94Å; A32-P38 HydrophobicContact CB-CG 4.12Å |
| 33 | K | 88.4 | Confident | 77.8 | Confident | 149 Ų | 149 | 55.6 Ų | 55.6 | 65% | 0.648 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.5 | -32.8 | 175.8 | -69.7 | 174.6 | -176.6 | 174.1 | 0 | 112.9 | E29 I30 A31 G35 | E29-K33 WeakPolarHBondContact O-CG 3.11Å; E29-K33 PolarHBondContact O-N 3.27Å; E29-K33 VanDerWaalsContact O-N 3.16Å; I30-K33 WeakPolarHBondContact O-CB 3.46Å; I30-K33 PolarHBondContact O-N 3.4Å; A31-K33 VanDerWaalsContact C-N 3.32Å; A31-K33 PolarHBondContact O-N 3.25Å; K33-G35 PolarHBondContact O-N 3.48Å |
| 34 | H | 85.8 | Confident | 78.3 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 16.6 | 174.9 | -76.5 | -86.3 | 0 | 0 | 0 | 113.2 | I30 A31 A32 K36 F78 E79 E84 | I30-H34 PolarHBondContact O-CD2 3.47Å; I30-H34 VanDerWaalsContact O-CD2 3.28Å; I30-H34 PolarHBondContact O-N 3.27Å; A31-H34 CarbonylContact O-C 3.56Å; A31-H34 PolarHBondContact O-N 3.26Å; A31-H34 VanDerWaalsContact O-N 3.14Å; A32-H34 VanDerWaalsContact C-N 3.31Å; A32-H34 PolarHBondContact O-N 3.38Å; H34-K36 PolarHBondContact O-N 3.25Å; H34-F78 AromaticContact CE1-CD2 3.72Å; H34-F78 AromaticContact ND1-CD2 3.48Å; H34-F78 WeakPolarHBondContact ND1-CD2 3.38Å; H34-E79 PolarHBondContact CE1-O 2.75Å; H34-E79 VanDerWaalsContact CE1-O 3.28Å; H34-E84 IonicContact CD2-OE1 3.03Å; H34-E84 PolarHBondContact CD2-OE1 2.8Å; H34-E84 IonicContact CE1-OE2 3.43Å; H34-E84 IonicContact NE2-OE1 3.23Å; H34-E84 PolarHBondContact NE2-OE1 2.65Å; H34-E84 IonicContact NE2-OE2 3.02Å; H34-E84 PolarHBondContact NE2-OE2 3.27Å; H34-E84 VanDerWaalsContact NE2-OE2 3.14Å |
| 35 | G | 78.9 | Confident | 78.4 | Confident | 73 Ų | 73 | 49.8 Ų | 49.8 | 75% | 0.753 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 12.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A32 K33 | A32-G35 PolarHBondContact O-N 3.02Å; A32-G35 VanDerWaalsContact O-N 3.16Å; K33-G35 PolarHBondContact O-N 3.48Å |
| 36 | K | 72.2 | Confident | 78.6 | Confident | 31 Ų | 31 | 45.8 Ų | 45.8 | 14% | 0.135 | 28% | 0.284 | C | S | . | . | trans | -106.5 | 122.4 | -179 | -58.6 | -174.7 | -177.4 | -173 | 0 | 108.6 | A31 A32 H34 V43 I46 | A31-K36 CarbonylContact C-O 3.5Å; A31-K36 PolarHBondContact O-N 2.97Å; A32-K36 WeakPolarHBondContact CA-O 3.27Å; A32-K36 PolarHBondContact N-O 2.94Å; H34-K36 PolarHBondContact O-N 3.25Å; K36-V43 HydrophobicContact CB-CB 4.21Å; K36-V43 HydrophobicContact CB-CG1 3.3Å; K36-V43 HydrophobicContact CB-CG2 3.84Å; K36-V43 HydrophobicContact CD-CG1 4.39Å; K36-V43 HydrophobicContact CD-CG2 4.48Å; K36-V43 HydrophobicContact CG-CG1 4.43Å; K36-I46 HydrophobicContact CD-CG2 4.01Å | ||
| 37 | S | 65.8 | Low | 78.7 | Confident | 51 Ų | 51 | 43.9 Ų | 43.9 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | trans | -69.7 | 131.8 | -177.4 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | S39 Q40 | S37-S39 PolarHBondContact O-N 2.91Å; S37-S39 PolarHBondContact OG-OG 3.31Å; S37-Q40 VanDerWaalsContact O-CB 3.32Å; S37-Q40 WeakPolarHBondContact O-CB 3.37Å; S37-Q40 PolarHBondContact O-N 3.12Å | ||
| 38 | P | 60.1 | Low | 78.8 | Confident | 59 Ų | 59 | 45.2 Ų | 45.2 | 38% | 0.383 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20 | 177.5 | -25.1 | 35.6 | 0 | 0 | 0 | 113.6 | G28 A32 Q40 | G28-P38 VanDerWaalsContact O-CG 3.29Å; G28-P38 WeakPolarHBondContact O-CG 3.29Å; A32-P38 HydrophobicContact CB-CG 4.12Å; P38-Q40 VanDerWaalsContact C-N 3.34Å |
| 39 | S | 59.3 | Low | 78.8 | Confident | 107 Ų | 107 | 46.2 Ų | 46.2 | 75% | 0.748 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -14.8 | 175.3 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | S37 A41 | S37-S39 PolarHBondContact O-N 2.91Å; S37-S39 PolarHBondContact OG-OG 3.31Å; S39-A41 PolarHBondContact O-N 3.4Å |
| 40 | Q | 65.9 | Low | 79 | Confident | 104 Ų | 104 | 41.2 Ų | 41.2 | 49% | 0.486 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -71.4 | 123.9 | 174.1 | -74.9 | 168.8 | -31.4 | 0 | 0 | 109.7 | S37 P38 G42 V43 | S37-Q40 VanDerWaalsContact O-CB 3.32Å; S37-Q40 WeakPolarHBondContact O-CB 3.37Å; S37-Q40 PolarHBondContact O-N 3.12Å; P38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-G42 PolarHBondContact O-N 2.92Å; Q40-V43 HydrophobicContact CB-CB 4.28Å; Q40-V43 HydrophobicContact CB-CG2 3.47Å; Q40-V43 VanDerWaalsContact CB-CG2 3.47Å; Q40-V43 WeakPolarHBondContact O-CB 3.35Å; Q40-V43 PolarHBondContact O-N 3.42Å; Q40-V43 VanDerWaalsContact O-N 3.16Å |
| 41 | A | 63.2 | Low | 79 | Confident | 63 Ų | 63 | 43.3 Ų | 43.3 | 52% | 0.521 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 126.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | S39 H68 L71 | S39-A41 PolarHBondContact O-N 3.4Å; A41-H68 VanDerWaalsContact C-NE2 3.32Å; A41-H68 PolarHBondContact O-CD2 3.3Å; A41-L71 WeakPolarHBondContact O-CD1 3.41Å |
| 42 | G | 66 | Low | 79.1 | Confident | 15 Ų | 15 | 45.5 Ų | 45.5 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -6.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q40 S45 I46 H68 | Q40-G42 PolarHBondContact O-N 2.92Å; G42-S45 WeakPolarHBondContact O-CB 3.47Å; G42-S45 PolarHBondContact O-N 3.21Å; G42-S45 VanDerWaalsContact O-N 3.16Å; G42-S45 PolarHBondContact O-OG 2.93Å; G42-I46 PolarHBondContact O-N 3.2Å; G42-H68 WeakPolarHBondContact CA-NE2 3.41Å; G42-H68 PolarHBondContact N-NE2 2.82Å |
| 43 | V | 78.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.4 | -44.7 | -178.3 | 161.5 | 0 | 0 | 0 | 0 | 112.5 | A31 K36 Q40 S45 I46 I47 L71 | A31-V43 HydrophobicContact CB-CG1 3.37Å; K36-V43 HydrophobicContact CB-CB 4.21Å; K36-V43 HydrophobicContact CB-CG1 3.3Å; K36-V43 HydrophobicContact CB-CG2 3.84Å; K36-V43 HydrophobicContact CD-CG1 4.39Å; K36-V43 HydrophobicContact CD-CG2 4.48Å; K36-V43 HydrophobicContact CG-CG1 4.43Å; Q40-V43 HydrophobicContact CB-CB 4.28Å; Q40-V43 HydrophobicContact CB-CG2 3.47Å; Q40-V43 VanDerWaalsContact CB-CG2 3.47Å; Q40-V43 WeakPolarHBondContact O-CB 3.35Å; Q40-V43 PolarHBondContact O-N 3.42Å; Q40-V43 VanDerWaalsContact O-N 3.16Å; V43-S45 PolarHBondContact O-N 3.39Å; V43-I46 WeakPolarHBondContact O-CG2 3.32Å; V43-I46 PolarHBondContact O-N 3.47Å; V43-I46 VanDerWaalsContact O-N 3.07Å; V43-I47 PolarHBondContact O-N 3.48Å; V43-L71 HydrophobicContact CG2-CD1 4.35Å |
| 44 | I | 81.6 | Confident | 79.4 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 9% | 0.092 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61 | -33.3 | 175.6 | -67.9 | 169.2 | 0 | 0 | 0 | 110.8 | P21 F22 A27 I46 I47 L48 | P21-I44 WeakPolarHBondContact O-CG2 3.4Å; F22-I44 WeakPolarHBondContact O-CD1 3.47Å; A27-I44 HydrophobicContact CB-CG2 3.7Å; I44-I46 VanDerWaalsContact C-N 3.28Å; I44-I46 PolarHBondContact O-N 3.27Å; I44-I47 PolarHBondContact O-N 2.87Å; I44-L48 HydrophobicContact CG2-CD1 4.09Å; I44-L48 HydrophobicContact CG2-CG 4.36Å; I44-L48 WeakPolarHBondContact O-CG 3.33Å; I44-L48 PolarHBondContact O-N 3.14Å; I44-L48 VanDerWaalsContact O-N 3.17Å |
| 45 | S | 81.1 | Confident | 79.7 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -35.4 | 177.3 | 82.2 | 0 | 0 | 0 | 0 | 112.6 | F22 G42 V43 L48 L49 | F22-S45 VanDerWaalsContact CE1-CB 3.41Å; G42-S45 WeakPolarHBondContact O-CB 3.47Å; G42-S45 PolarHBondContact O-N 3.21Å; G42-S45 VanDerWaalsContact O-N 3.16Å; G42-S45 PolarHBondContact O-OG 2.93Å; V43-S45 PolarHBondContact O-N 3.39Å; S45-L48 PolarHBondContact O-N 2.91Å; S45-L49 WeakPolarHBondContact O-CB 3.41Å; S45-L49 WeakPolarHBondContact O-CD1 3.43Å; S45-L49 WeakPolarHBondContact O-CG 3.39Å; S45-L49 PolarHBondContact O-N 2.92Å |
| 46 | I | 86.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69 | -38.7 | -179.7 | -148.1 | -174.2 | 0 | 0 | 0 | 111.7 | K36 G42 V43 I44 L49 K50 L71 Q74 L75 F78 | K36-I46 HydrophobicContact CD-CG2 4.01Å; G42-I46 PolarHBondContact O-N 3.2Å; V43-I46 WeakPolarHBondContact O-CG2 3.32Å; V43-I46 PolarHBondContact O-N 3.47Å; V43-I46 VanDerWaalsContact O-N 3.07Å; I44-I46 VanDerWaalsContact C-N 3.28Å; I44-I46 PolarHBondContact O-N 3.27Å; I46-L49 PolarHBondContact O-N 2.96Å; I46-K50 VanDerWaalsContact O-CB 3.29Å; I46-K50 WeakPolarHBondContact O-CB 3.39Å; I46-K50 PolarHBondContact O-N 3.02Å; I46-L71 WeakPolarHBondContact CD1-O 3.22Å; I46-Q74 HydrophobicContact CD1-CB 3.83Å; I46-L75 HydrophobicContact CB-CD2 4.48Å; I46-L75 HydrophobicContact CD1-CD2 4.45Å; I46-L75 HydrophobicContact CG1-CD2 3.45Å; I46-L75 VanDerWaalsContact CG1-CD2 3.45Å; I46-L75 HydrophobicContact CG1-CG 3.95Å; I46-L75 WeakPolarHBondContact O-CD2 3.31Å; I46-F78 HydrophobicContact CD1-CE1 3.76Å; I46-F78 HydrophobicContact CD1-CZ 4.47Å; I46-F78 HydrophobicContact CG1-CE1 4.02Å; I46-F78 HydrophobicContact CG1-CZ 4.34Å; I46-F78 HydrophobicContact CG2-CE1 4.29Å; I46-F78 HydrophobicContact CG2-CZ 4.07Å |
| 47 | I | 90.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.9 | -61.4 | -51 | 0 | 0 | 0 | 110 | A27 I30 A31 V43 I44 K50 W51 F78 L80 L88 | A27-I47 HydrophobicContact CB-CG2 4.28Å; I30-I47 HydrophobicContact CB-CG2 4.07Å; I30-I47 HydrophobicContact CG2-CD1 4.02Å; I30-I47 HydrophobicContact CG2-CG1 4.3Å; I30-I47 HydrophobicContact CG2-CG2 3.66Å; A31-I47 HydrophobicContact CB-CG1 3.88Å; V43-I47 PolarHBondContact O-N 3.48Å; I44-I47 PolarHBondContact O-N 2.87Å; I47-K50 PolarHBondContact O-N 3.19Å; I47-W51 WeakPolarHBondContact O-CB 3.42Å; I47-W51 PolarHBondContact O-N 3.04Å; I47-F78 HydrophobicContact CD1-CE2 3.78Å; I47-F78 HydrophobicContact CD1-CZ 4Å; I47-L80 HydrophobicContact CD1-CD2 4.32Å; I47-L80 HydrophobicContact CG2-CD2 4.25Å; I47-L88 HydrophobicContact CG2-CD1 3.95Å |
| 48 | L | 87.9 | Confident | 81.2 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 179.4 | -64.5 | 177 | 0 | 0 | 0 | 112.7 | P21 F22 A27 I44 S45 W51 L52 L88 | P21-L48 HydrophobicContact CB-CD1 3.7Å; P21-L48 WeakPolarHBondContact O-CD1 3.2Å; F22-L48 HydrophobicContact CD1-CD1 4.39Å; A27-L48 HydrophobicContact CB-CD2 3.96Å; A27-L48 HydrophobicContact CB-CG 4.31Å; I44-L48 HydrophobicContact CG2-CD1 4.09Å; I44-L48 HydrophobicContact CG2-CG 4.36Å; I44-L48 WeakPolarHBondContact O-CG 3.33Å; I44-L48 PolarHBondContact O-N 3.14Å; I44-L48 VanDerWaalsContact O-N 3.17Å; S45-L48 PolarHBondContact O-N 2.91Å; L48-W51 WeakPolarHBondContact O-CB 3.33Å; L48-W51 PolarHBondContact O-N 2.7Å; L48-L52 WeakPolarHBondContact O-CG 3.24Å; L48-L52 PolarHBondContact O-N 2.86Å; L48-L52 VanDerWaalsContact O-N 3.08Å; L48-L88 HydrophobicContact CD2-CD2 4.43Å |
| 49 | L | 88.7 | Confident | 82.2 | Confident | 28 Ų | 28 | 52.2 Ų | 52.2 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 176 | -72.3 | 167.9 | 0 | 0 | 0 | 111.3 | S45 I46 L52 L53 V59 P61 L75 | S45-L49 WeakPolarHBondContact O-CB 3.41Å; S45-L49 WeakPolarHBondContact O-CD1 3.43Å; S45-L49 WeakPolarHBondContact O-CG 3.39Å; S45-L49 PolarHBondContact O-N 2.92Å; I46-L49 PolarHBondContact O-N 2.96Å; L49-L52 PolarHBondContact O-N 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.46Å; L49-L53 PolarHBondContact O-N 3.42Å; L49-V59 HydrophobicContact CD2-CB 3.86Å; L49-V59 HydrophobicContact CD2-CG1 4.02Å; L49-V59 HydrophobicContact CD2-CG2 4.18Å; L49-P61 HydrophobicContact CD1-CB 3.65Å; L49-P61 HydrophobicContact CD1-CG 4.23Å; L49-P61 HydrophobicContact CD2-CB 4.07Å; L49-L75 HydrophobicContact CB-CD1 3.99Å; L49-L75 HydrophobicContact CB-CD2 3.39Å; L49-L75 HydrophobicContact CB-CG 4.36Å; L49-L75 HydrophobicContact CD1-CD1 4.11Å; L49-L75 HydrophobicContact CD1-CD2 4.4Å |
| 50 | K | 92.4 | Very high | 83.3 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 174.2 | -174.5 | 75.4 | -157.5 | -166.1 | 0 | 111.8 | I46 I47 L52 L53 Q54 L75 F78 L80 | I46-K50 VanDerWaalsContact O-CB 3.29Å; I46-K50 WeakPolarHBondContact O-CB 3.39Å; I46-K50 PolarHBondContact O-N 3.02Å; I47-K50 PolarHBondContact O-N 3.19Å; K50-L52 VanDerWaalsContact C-N 3.32Å; K50-L52 PolarHBondContact O-N 3.48Å; K50-L53 PolarHBondContact O-N 3.22Å; K50-Q54 PolarHBondContact O-N 3.06Å; K50-L75 HydrophobicContact CB-CD2 4.31Å; K50-L75 WeakPolarHBondContact CD-O 3.49Å; K50-L75 PolarHBondContact NZ-O 3.33Å; K50-F78 HydrophobicContact CB-CE1 4.24Å; K50-F78 HydrophobicContact CB-CE2 3.89Å; K50-F78 HydrophobicContact CB-CZ 3.47Å; K50-F78 VanDerWaalsContact CB-CZ 3.47Å; K50-F78 HydrophobicContact CD-CE1 4.26Å; K50-F78 HydrophobicContact CD-CE2 4.35Å; K50-F78 HydrophobicContact CD-CZ 4.13Å; K50-F78 WeakPolarHBondContact CD-O 3.25Å; K50-F78 WeakPolarHBondContact CE-O 3.42Å; K50-F78 HydrophobicContact CG-CD2 4.32Å; K50-F78 HydrophobicContact CG-CE1 4.3Å; K50-F78 HydrophobicContact CG-CE2 3.68Å; K50-F78 HydrophobicContact CG-CZ 3.67Å; K50-F78 PolarHBondContact NZ-O 3.29Å; K50-L80 HydrophobicContact CB-CD1 4.24Å; K50-L80 HydrophobicContact CB-CG 4.4Å; K50-L80 HydrophobicContact CG-CD1 4.12Å; K50-L80 HydrophobicContact CG-CG 3.9Å |
| 51 | W | 92.5 | Very high | 83.7 | Confident | 48 Ų | 48 | 52 Ų | 52 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 174.6 | 170.4 | 67.2 | 0 | 0 | 0 | 113 | I47 L48 R55 L80 L88 N89 | I47-W51 WeakPolarHBondContact O-CB 3.42Å; I47-W51 PolarHBondContact O-N 3.04Å; L48-W51 WeakPolarHBondContact O-CB 3.33Å; L48-W51 PolarHBondContact O-N 2.7Å; W51-R55 WeakPolarHBondContact O-CD 3.39Å; W51-R55 VanDerWaalsContact O-CG 3.26Å; W51-R55 WeakPolarHBondContact O-CG 3.37Å; W51-R55 PolarHBondContact O-N 2.81Å; W51-L80 HydrophobicContact CB-CD1 3.74Å; W51-L88 HydrophobicContact CB-CD1 3.79Å; W51-L88 HydrophobicContact CD2-CB 4.31Å; W51-L88 HydrophobicContact CG-CB 3.99Å; W51-L88 HydrophobicContact CG-CD1 3.88Å; W51-N89 PolarHBondContact NE1-OD1 2.89Å |
| 52 | L | 89.1 | Confident | 84 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.7 | -46.9 | 172.7 | -67.9 | 173.1 | 0 | 0 | 0 | 111.3 | L48 L49 K50 Q54 R55 I57 V59 | L48-L52 WeakPolarHBondContact O-CG 3.24Å; L48-L52 PolarHBondContact O-N 2.86Å; L48-L52 VanDerWaalsContact O-N 3.08Å; L49-L52 PolarHBondContact O-N 3.26Å; K50-L52 VanDerWaalsContact C-N 3.32Å; K50-L52 PolarHBondContact O-N 3.48Å; L52-Q54 PolarHBondContact O-N 3.44Å; L52-R55 WeakPolarHBondContact O-CB 3.48Å; L52-R55 PolarHBondContact O-N 2.94Å; L52-I57 CarbonylContact C-O 3.52Å; L52-I57 HydrophobicContact CB-CB 4.19Å; L52-I57 HydrophobicContact CB-CG2 4.41Å; L52-I57 HydrophobicContact CD2-CD1 3.81Å; L52-I57 HydrophobicContact CD2-CG2 4.43Å; L52-I57 VanDerWaalsContact O-CB 3.31Å; L52-I57 WeakPolarHBondContact O-CB 3.36Å; L52-I57 PolarHBondContact O-N 3.44Å; L52-V59 HydrophobicContact CB-CG1 3.47Å; L52-V59 VanDerWaalsContact CB-CG1 3.47Å; L52-V59 HydrophobicContact CD1-CG1 3.83Å; L52-V59 HydrophobicContact CG-CG1 4.31Å |
| 53 | L | 88 | Confident | 84.6 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 22% | 0.22 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 178.7 | -78.9 | 171.1 | 0 | 0 | 0 | 112.9 | L49 K50 R55 D56 V59 L75 F76 | L49-L53 WeakPolarHBondContact O-CG 3.46Å; L49-L53 PolarHBondContact O-N 3.42Å; K50-L53 PolarHBondContact O-N 3.22Å; L53-R55 PolarHBondContact O-N 3.17Å; L53-D56 PolarHBondContact O-N 2.87Å; L53-V59 HydrophobicContact CD1-CG2 3.81Å; L53-V59 HydrophobicContact CD2-CG2 3.72Å; L53-V59 HydrophobicContact CG-CG1 4.28Å; L53-V59 HydrophobicContact CG-CG2 3.58Å; L53-L75 HydrophobicContact CD1-CB 4.07Å; L53-L75 HydrophobicContact CD1-CD1 4.29Å; L53-L75 HydrophobicContact CD1-CD2 4.45Å; L53-F76 HydrophobicContact CD1-CE1 4.26Å |
| 54 | Q | 93.5 | Very high | 84.7 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 28% | 0.28 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -2.5 | 177.6 | -80.9 | -179.6 | -113.1 | 0 | 0 | 114.3 | K50 L52 L80 M85 | K50-Q54 PolarHBondContact O-N 3.06Å; L52-Q54 PolarHBondContact O-N 3.44Å; Q54-L80 PolarHBondContact NE2-O 3.32Å; Q54-M85 HydrophobicContact CB-CE 3.5Å; Q54-M85 VanDerWaalsContact CB-CE 3.5Å; Q54-M85 HydrophobicContact CB-SD 3.84Å |
| 55 | R | 91.1 | Very high | 84.6 | Confident | 106 Ų | 106 | 67.9 Ų | 67.9 | 40% | 0.4 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 17.5 | 170.9 | -67.4 | 170.9 | 58.7 | -154.2 | -4.8 | 111.9 | W51 L52 L53 I57 M85 | W51-R55 WeakPolarHBondContact O-CD 3.39Å; W51-R55 VanDerWaalsContact O-CG 3.26Å; W51-R55 WeakPolarHBondContact O-CG 3.37Å; W51-R55 PolarHBondContact O-N 2.81Å; L52-R55 WeakPolarHBondContact O-CB 3.48Å; L52-R55 PolarHBondContact O-N 2.94Å; L53-R55 PolarHBondContact O-N 3.17Å; R55-I57 HydrophobicContact CB-CD1 4.16Å; R55-I57 HydrophobicContact CB-CG1 4.21Å; R55-I57 PolarHBondContact O-N 3.43Å; R55-M85 HydrophobicContact CG-CE 3.82Å |
| 56 | D | 87.6 | Confident | 84.7 | Confident | 158 Ų | 158 | 71.9 Ų | 71.9 | 85% | 0.845 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 26.9 | -174.7 | -56.1 | -48.3 | 0 | 0 | 0 | 113.3 | L53 | L53-D56 PolarHBondContact O-N 2.87Š|
| 57 | I | 81.8 | Confident | 84.4 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 34% | 0.338 | 39% | 0.391 | S | S | . | . | trans | -95.1 | 113.5 | 174.2 | -57 | 171.2 | 0 | 0 | 0 | 108.2 | L52 R55 V59 | L52-I57 CarbonylContact C-O 3.52Å; L52-I57 HydrophobicContact CB-CB 4.19Å; L52-I57 HydrophobicContact CB-CG2 4.41Å; L52-I57 HydrophobicContact CD2-CD1 3.81Å; L52-I57 HydrophobicContact CD2-CG2 4.43Å; L52-I57 VanDerWaalsContact O-CB 3.31Å; L52-I57 WeakPolarHBondContact O-CB 3.36Å; L52-I57 PolarHBondContact O-N 3.44Å; R55-I57 HydrophobicContact CB-CD1 4.16Å; R55-I57 HydrophobicContact CB-CG1 4.21Å; R55-I57 PolarHBondContact O-N 3.43Å; I57-V59 PolarHBondContact O-N 2.81Å | ||
| 58 | I | 81.1 | Confident | 83.8 | Confident | 151 Ų | 151 | 76.9 Ų | 76.9 | 77% | 0.774 | 40% | 0.402 | S | S | * | . | trans | -60.9 | 124.4 | 174.8 | -61.1 | 173.6 | 0 | 0 | 0 | 109.2 | I60 | I58-I60 HydrophobicContact CG2-CG1 4.47Š| ||
| 59 | V | 80.4 | Confident | 83.5 | Confident | 26 Ų | 26 | 79.4 Ų | 79.4 | 16% | 0.158 | 42% | 0.415 | C | S | . | . | trans | -107 | 140.3 | 173.9 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | L49 L52 L53 I57 L75 | L49-V59 HydrophobicContact CD2-CB 3.86Å; L49-V59 HydrophobicContact CD2-CG1 4.02Å; L49-V59 HydrophobicContact CD2-CG2 4.18Å; L52-V59 HydrophobicContact CB-CG1 3.47Å; L52-V59 VanDerWaalsContact CB-CG1 3.47Å; L52-V59 HydrophobicContact CD1-CG1 3.83Å; L52-V59 HydrophobicContact CG-CG1 4.31Å; L53-V59 HydrophobicContact CD1-CG2 3.81Å; L53-V59 HydrophobicContact CD2-CG2 3.72Å; L53-V59 HydrophobicContact CG-CG1 4.28Å; L53-V59 HydrophobicContact CG-CG2 3.58Å; I57-V59 PolarHBondContact O-N 2.81Å; V59-L75 HydrophobicContact CG2-CD1 4.36Å | ||
| 60 | I | 81.5 | Confident | 83.3 | Confident | 157 Ų | 157 | 82.2 Ų | 82.2 | 81% | 0.805 | 43% | 0.433 | S | S | * | . | trans | -126.2 | 80.5 | 173 | -53.1 | 177.1 | 0 | 0 | 0 | 107.2 | I58 K62 | I58-I60 HydrophobicContact CG2-CG1 4.47Å; I60-K62 PolarHBondContact O-N 2.91Å | ||
| 61 | P | 74.2 | Confident | 82.8 | Confident | 50 Ų | 50 | 82.6 Ų | 82.6 | 33% | 0.325 | 44% | 0.435 | S | S | . | . | trans | -74.4 | 122.1 | -175.8 | 31 | -34.6 | 0 | 0 | 0 | 110.2 | L49 N72 L75 | L49-P61 HydrophobicContact CD1-CB 3.65Å; L49-P61 HydrophobicContact CD1-CG 4.23Å; L49-P61 HydrophobicContact CD2-CB 4.07Å; P61-N72 HydrophobicContact CG-CB 4.01Å; P61-L75 HydrophobicContact CG-CD1 4.17Å | ||
| 62 | K | 71 | Confident | 82.3 | Confident | 198 Ų | 198 | 81.3 Ų | 81.3 | 86% | 0.861 | 43% | 0.432 | S | S | * | . | trans | -98.9 | 131 | 173.8 | -175.7 | 178.7 | 179 | 174.2 | 0 | 109.8 | I60 | I60-K62 PolarHBondContact O-N 2.91Š| ||
| 63 | S | 78 | Confident | 82 | Confident | 31 Ų | 31 | 84 Ų | 84 | 22% | 0.217 | 45% | 0.45 | C | S | . | . | trans | -145.8 | 146.2 | 170.9 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | N65 H68 | S63-N65 PolarHBondContact OG-N 3.1Å; S63-N65 PolarHBondContact OG-O 2.73Å; S63-H68 VanDerWaalsContact OG-CB 3.27Å; S63-H68 WeakPolarHBondContact OG-CB 3.44Å | ||
| 64 | T | 80.6 | Confident | 81.8 | Confident | 136 Ų | 136 | 84.9 Ų | 84.9 | 83% | 0.834 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -104.3 | -2.9 | 165.3 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 65 | N | 78.8 | Confident | 81.4 | Confident | 66 Ų | 66 | 82.1 Ų | 82.1 | 35% | 0.353 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -88.1 | 119.4 | 176.4 | -176.4 | -25.7 | 0 | 0 | 0 | 109.7 | S63 S67 H68 I69 | S63-N65 PolarHBondContact OG-N 3.1Å; S63-N65 PolarHBondContact OG-O 2.73Å; N65-S67 VanDerWaalsContact C-N 3.3Å; N65-S67 PolarHBondContact O-N 2.77Å; N65-S67 PolarHBondContact OD1-N 3.05Å; N65-S67 PolarHBondContact OD1-OG 3.14Å; N65-H68 HydrophobicContact CB-CB 4.21Å; N65-H68 PolarHBondContact O-N 2.88Å; N65-H68 VanDerWaalsContact O-N 3.16Å; N65-I69 WeakPolarHBondContact O-CG1 3.45Å; N65-I69 PolarHBondContact O-N 3.37Å |
| 66 | P | 82.6 | Confident | 81.1 | Confident | 95 Ų | 95 | 84.4 Ų | 84.4 | 62% | 0.617 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -53.5 | -40.3 | -179 | -28 | 35.5 | 0 | 0 | 0 | 114.4 | H68 I69 V70 | P66-H68 PolarHBondContact O-N 3.38Å; P66-I69 PolarHBondContact O-N 2.96Å; P66-V70 WeakPolarHBondContact O-CG2 3.5Å; P66-V70 PolarHBondContact O-N 3.27Å |
| 67 | S | 81 | Confident | 81.1 | Confident | 56 Ų | 56 | 82.7 Ų | 82.7 | 39% | 0.392 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | -179.1 | 65.2 | 0 | 0 | 0 | 0 | 112 | N65 I69 V70 L71 | N65-S67 VanDerWaalsContact C-N 3.3Å; N65-S67 PolarHBondContact O-N 2.77Å; N65-S67 PolarHBondContact OD1-N 3.05Å; N65-S67 PolarHBondContact OD1-OG 3.14Å; S67-I69 VanDerWaalsContact C-N 3.35Å; S67-V70 PolarHBondContact O-N 2.92Å; S67-L71 WeakPolarHBondContact O-CG 3.34Å; S67-L71 PolarHBondContact O-N 3.34Å |
| 68 | H | 78.8 | Confident | 81.5 | Confident | 49 Ų | 49 | 81 Ų | 81 | 23% | 0.227 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.4 | -34.1 | 175.6 | -68.8 | -168.3 | 0 | 0 | 0 | 111.7 | A41 G42 S63 N65 P66 L71 N72 | A41-H68 VanDerWaalsContact C-NE2 3.32Å; A41-H68 PolarHBondContact O-CD2 3.3Å; G42-H68 WeakPolarHBondContact CA-NE2 3.41Å; G42-H68 PolarHBondContact N-NE2 2.82Å; S63-H68 VanDerWaalsContact OG-CB 3.27Å; S63-H68 WeakPolarHBondContact OG-CB 3.44Å; N65-H68 HydrophobicContact CB-CB 4.21Å; N65-H68 PolarHBondContact O-N 2.88Å; N65-H68 VanDerWaalsContact O-N 3.16Å; P66-H68 PolarHBondContact O-N 3.38Å; H68-L71 PolarHBondContact O-N 3.34Å; H68-N72 WeakPolarHBondContact O-CB 3.46Å; H68-N72 PolarHBondContact O-N 2.68Å; H68-N72 PolarHBondContact O-ND2 2.89Å; H68-N72 PolarHBondContact O-OD1 2.83Å |
| 69 | I | 81.1 | Confident | 82.1 | Confident | 81 Ų | 81 | 80.9 Ų | 80.9 | 42% | 0.415 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 175.1 | -66.4 | 167.2 | 0 | 0 | 0 | 109.5 | N65 P66 S67 L71 N72 V73 | N65-I69 WeakPolarHBondContact O-CG1 3.45Å; N65-I69 PolarHBondContact O-N 3.37Å; P66-I69 PolarHBondContact O-N 2.96Å; S67-I69 VanDerWaalsContact C-N 3.35Å; I69-L71 PolarHBondContact O-N 2.99Å; I69-N72 PolarHBondContact O-N 2.97Å; I69-V73 PolarHBondContact O-N 2.66Å |
| 70 | V | 84.2 | Confident | 82.7 | Confident | 87 Ų | 87 | 79.9 Ų | 79.9 | 53% | 0.527 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 174.9 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | P66 S67 N72 V73 Q74 | P66-V70 WeakPolarHBondContact O-CG2 3.5Å; P66-V70 PolarHBondContact O-N 3.27Å; S67-V70 PolarHBondContact O-N 2.92Å; V70-N72 VanDerWaalsContact C-N 3.34Å; V70-N72 PolarHBondContact O-N 3.11Å; V70-V73 PolarHBondContact O-N 2.63Å; V70-Q74 PolarHBondContact O-N 2.87Å |
| 71 | L | 82.2 | Confident | 83.4 | Confident | 24 Ų | 24 | 75.1 Ų | 75.1 | 13% | 0.126 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 176.4 | -72.5 | 171.7 | 0 | 0 | 0 | 112.5 | A41 V43 I46 S67 H68 I69 V73 Q74 | A41-L71 WeakPolarHBondContact O-CD1 3.41Å; V43-L71 HydrophobicContact CG2-CD1 4.35Å; I46-L71 WeakPolarHBondContact CD1-O 3.22Å; S67-L71 WeakPolarHBondContact O-CG 3.34Å; S67-L71 PolarHBondContact O-N 3.34Å; H68-L71 PolarHBondContact O-N 3.34Å; I69-L71 PolarHBondContact O-N 2.99Å; L71-V73 VanDerWaalsContact C-N 3.25Å; L71-V73 PolarHBondContact O-N 3.48Å; L71-Q74 WeakPolarHBondContact O-CB 3.3Å; L71-Q74 PolarHBondContact O-N 3.41Å |
| 72 | N | 82.7 | Confident | 84.4 | Confident | 22 Ų | 22 | 79.7 Ų | 79.7 | 12% | 0.118 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.4 | -32.1 | 178.5 | -69.6 | -19.5 | 0 | 0 | 0 | 112.2 | P61 H68 I69 V70 Q74 L75 | P61-N72 HydrophobicContact CG-CB 4.01Å; H68-N72 WeakPolarHBondContact O-CB 3.46Å; H68-N72 PolarHBondContact O-N 2.68Å; H68-N72 PolarHBondContact O-ND2 2.89Å; H68-N72 PolarHBondContact O-OD1 2.83Å; I69-N72 PolarHBondContact O-N 2.97Å; V70-N72 VanDerWaalsContact C-N 3.34Å; V70-N72 PolarHBondContact O-N 3.11Å; N72-Q74 VanDerWaalsContact C-N 3.28Å; N72-Q74 PolarHBondContact O-N 3.36Å; N72-L75 WeakPolarHBondContact O-CB 3.48Å; N72-L75 WeakPolarHBondContact O-CD1 3.29Å; N72-L75 WeakPolarHBondContact O-CG 3.41Å; N72-L75 PolarHBondContact O-N 3.39Å |
| 73 | V | 83 | Confident | 85.5 | Confident | 102 Ų | 102 | 73.7 Ų | 73.7 | 62% | 0.618 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.4 | -34.6 | 174.9 | 177 | 0 | 0 | 0 | 0 | 110.9 | I69 V70 L71 L75 | I69-V73 PolarHBondContact O-N 2.66Å; V70-V73 PolarHBondContact O-N 2.63Å; L71-V73 VanDerWaalsContact C-N 3.25Å; L71-V73 PolarHBondContact O-N 3.48Å; V73-L75 PolarHBondContact O-N 3.3Å; V73-L75 VanDerWaalsContact O-N 3.11Å |
| 74 | Q | 83.7 | Confident | 86.3 | Confident | 61 Ų | 61 | 73 Ų | 73 | 29% | 0.285 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -73 | 3.2 | 179 | -60.1 | 175.6 | -8.4 | 0 | 0 | 114.3 | I46 V70 L71 N72 F76 D77 F78 | I46-Q74 HydrophobicContact CD1-CB 3.83Å; V70-Q74 PolarHBondContact O-N 2.87Å; L71-Q74 WeakPolarHBondContact O-CB 3.3Å; L71-Q74 PolarHBondContact O-N 3.41Å; N72-Q74 VanDerWaalsContact C-N 3.28Å; N72-Q74 PolarHBondContact O-N 3.36Å; Q74-F76 PolarHBondContact O-N 3.1Å; Q74-F76 VanDerWaalsContact O-N 3.11Å; Q74-D77 VanDerWaalsContact CA-OD2 3.31Å; Q74-D77 WeakPolarHBondContact CA-OD2 3.34Å; Q74-D77 WeakPolarHBondContact CB-OD2 3.46Å; Q74-D77 WeakPolarHBondContact CG-OD2 3.37Å; Q74-D77 PolarHBondContact O-N 3.24Å; Q74-D77 VanDerWaalsContact O-N 3.11Å; Q74-F78 WeakPolarHBondContact O-CD1 3.37Å |
| 75 | L | 83.2 | Confident | 86.9 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.016 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -58.4 | -22.7 | 176.7 | -79 | 169.7 | 0 | 0 | 0 | 113.1 | I46 L49 K50 L53 V59 P61 N72 V73 | I46-L75 HydrophobicContact CB-CD2 4.48Å; I46-L75 HydrophobicContact CD1-CD2 4.45Å; I46-L75 HydrophobicContact CG1-CD2 3.45Å; I46-L75 VanDerWaalsContact CG1-CD2 3.45Å; I46-L75 HydrophobicContact CG1-CG 3.95Å; I46-L75 WeakPolarHBondContact O-CD2 3.31Å; L49-L75 HydrophobicContact CB-CD1 3.99Å; L49-L75 HydrophobicContact CB-CD2 3.39Å; L49-L75 HydrophobicContact CB-CG 4.36Å; L49-L75 HydrophobicContact CD1-CD1 4.11Å; L49-L75 HydrophobicContact CD1-CD2 4.4Å; K50-L75 HydrophobicContact CB-CD2 4.31Å; K50-L75 WeakPolarHBondContact CD-O 3.49Å; K50-L75 PolarHBondContact NZ-O 3.33Å; L53-L75 HydrophobicContact CD1-CB 4.07Å; L53-L75 HydrophobicContact CD1-CD1 4.29Å; L53-L75 HydrophobicContact CD1-CD2 4.45Å; V59-L75 HydrophobicContact CG2-CD1 4.36Å; P61-L75 HydrophobicContact CG-CD1 4.17Å; N72-L75 WeakPolarHBondContact O-CB 3.48Å; N72-L75 WeakPolarHBondContact O-CD1 3.29Å; N72-L75 WeakPolarHBondContact O-CG 3.41Å; N72-L75 PolarHBondContact O-N 3.39Å; V73-L75 PolarHBondContact O-N 3.3Å; V73-L75 VanDerWaalsContact O-N 3.11Å |
| 76 | F | 85.4 | Confident | 87.6 | Confident | 153 Ų | 153 | 70.1 Ų | 70.1 | 67% | 0.671 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -96.9 | -4.5 | -177.7 | -55 | -75.2 | 0 | 0 | 0 | 113.1 | L53 Q74 | L53-F76 HydrophobicContact CD1-CE1 4.26Å; Q74-F76 PolarHBondContact O-N 3.1Å; Q74-F76 VanDerWaalsContact O-N 3.11Å |
| 77 | D | 87.5 | Confident | 88 | Confident | 123 Ų | 123 | 67.3 Ų | 67.3 | 66% | 0.658 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -89.9 | -4.8 | -172.5 | -61 | -17.4 | 0 | 0 | 0 | 113.9 | Q74 | Q74-D77 VanDerWaalsContact CA-OD2 3.31Å; Q74-D77 WeakPolarHBondContact CA-OD2 3.34Å; Q74-D77 WeakPolarHBondContact CB-OD2 3.46Å; Q74-D77 WeakPolarHBondContact CG-OD2 3.37Å; Q74-D77 PolarHBondContact O-N 3.24Å; Q74-D77 VanDerWaalsContact O-N 3.11Å |
| 78 | F | 90.6 | Very high | 88.3 | Confident | 29 Ų | 29 | 65 Ų | 65 | 13% | 0.127 | 35% | 0.349 | C | S | . | . | trans | -148.3 | 162.5 | -178.6 | 74.7 | -75 | 0 | 0 | 0 | 111.2 | H34 I46 I47 K50 Q74 L80 | H34-F78 AromaticContact CE1-CD2 3.72Å; H34-F78 AromaticContact ND1-CD2 3.48Å; H34-F78 WeakPolarHBondContact ND1-CD2 3.38Å; I46-F78 HydrophobicContact CD1-CE1 3.76Å; I46-F78 HydrophobicContact CD1-CZ 4.47Å; I46-F78 HydrophobicContact CG1-CE1 4.02Å; I46-F78 HydrophobicContact CG1-CZ 4.34Å; I46-F78 HydrophobicContact CG2-CE1 4.29Å; I46-F78 HydrophobicContact CG2-CZ 4.07Å; I47-F78 HydrophobicContact CD1-CE2 3.78Å; I47-F78 HydrophobicContact CD1-CZ 4Å; K50-F78 HydrophobicContact CB-CE1 4.24Å; K50-F78 HydrophobicContact CB-CE2 3.89Å; K50-F78 HydrophobicContact CB-CZ 3.47Å; K50-F78 VanDerWaalsContact CB-CZ 3.47Å; K50-F78 HydrophobicContact CD-CE1 4.26Å; K50-F78 HydrophobicContact CD-CE2 4.35Å; K50-F78 HydrophobicContact CD-CZ 4.13Å; K50-F78 WeakPolarHBondContact CD-O 3.25Å; K50-F78 WeakPolarHBondContact CE-O 3.42Å; K50-F78 HydrophobicContact CG-CD2 4.32Å; K50-F78 HydrophobicContact CG-CE1 4.3Å; K50-F78 HydrophobicContact CG-CE2 3.68Å; K50-F78 HydrophobicContact CG-CZ 3.67Å; K50-F78 PolarHBondContact NZ-O 3.29Å; Q74-F78 WeakPolarHBondContact O-CD1 3.37Å; F78-L80 HydrophobicContact CE2-CD2 3.94Å; F78-L80 HydrophobicContact CE2-CG 4.33Å | ||
| 79 | E | 92.7 | Very high | 88.5 | Confident | 149 Ų | 149 | 66.7 Ų | 66.7 | 70% | 0.696 | 36% | 0.359 | S | S | * | . | trans | -126 | 141.2 | 171.9 | -66.6 | -172 | 160.9 | 0 | 0 | 110.4 | H34 | H34-E79 PolarHBondContact CE1-O 2.75Å; H34-E79 VanDerWaalsContact CE1-O 3.28Å | ||
| 80 | L | 94.1 | Very high | 88.6 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | trans | -75.9 | 128.7 | 167.3 | -60.6 | 174 | 0 | 0 | 0 | 108.3 | I30 I47 K50 W51 Q54 F78 E84 M85 L88 | I30-L80 HydrophobicContact CG2-CD2 3.62Å; I47-L80 HydrophobicContact CD1-CD2 4.32Å; I47-L80 HydrophobicContact CG2-CD2 4.25Å; K50-L80 HydrophobicContact CB-CD1 4.24Å; K50-L80 HydrophobicContact CB-CG 4.4Å; K50-L80 HydrophobicContact CG-CD1 4.12Å; K50-L80 HydrophobicContact CG-CG 3.9Å; W51-L80 HydrophobicContact CB-CD1 3.74Å; Q54-L80 PolarHBondContact NE2-O 3.32Å; F78-L80 HydrophobicContact CE2-CD2 3.94Å; F78-L80 HydrophobicContact CE2-CG 4.33Å; L80-E84 WeakPolarHBondContact CA-OE2 3.36Å; L80-E84 HydrophobicContact CB-CB 4.23Å; L80-E84 HydrophobicContact CD2-CB 4.45Å; L80-M85 HydrophobicContact CB-CG 3.88Å; L80-M85 HydrophobicContact CB-SD 3.74Å; L80-M85 HydrophobicContact CD1-SD 3.73Å; L80-M85 HydrophobicContact CG-SD 4.37Å; L80-L88 HydrophobicContact CD1-CD1 3.79Å | ||
| 81 | S | 95.8 | Very high | 87.9 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | trans | -64.5 | 160.6 | 173.4 | 61.6 | 0 | 0 | 0 | 0 | 111.8 | A83 E84 M85 | S81-A83 PolarHBondContact O-N 2.82Å; S81-A83 VanDerWaalsContact O-N 3.16Å; S81-E84 PolarHBondContact N-OE2 3.47Å; S81-E84 WeakPolarHBondContact O-CB 3.38Å; S81-E84 PolarHBondContact O-N 2.85Å; S81-E84 VanDerWaalsContact OG-CD 3.23Å; S81-E84 WeakPolarHBondContact OG-CG 3.39Å; S81-E84 PolarHBondContact OG-N 3.33Å; S81-E84 PolarHBondContact OG-OE2 3.39Å; S81-M85 WeakPolarHBondContact O-CG 3.49Å; S81-M85 PolarHBondContact O-N 2.88Å | ||
| 82 | D | 94.7 | Very high | 86.8 | Confident | 146 Ų | 146 | 74.3 Ų | 74.3 | 78% | 0.781 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -54.8 | -36.2 | 176.6 | -68.3 | -23.1 | 0 | 0 | 0 | 112.9 | K86 | D82-K86 WeakPolarHBondContact O-CB 3.36Å; D82-K86 PolarHBondContact O-N 2.92Å |
| 83 | A | 95.1 | Very high | 85.1 | Confident | 72 Ų | 72 | 79.4 Ų | 79.4 | 60% | 0.595 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.7 | -39.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S81 A87 | S81-A83 PolarHBondContact O-N 2.82Å; S81-A83 VanDerWaalsContact O-N 3.16Å; A83-A87 WeakPolarHBondContact O-CB 2.83Å; A83-A87 PolarHBondContact O-N 3.25Å |
| 84 | E | 95 | Very high | 83.1 | Confident | 18 Ų | 18 | 83.5 Ų | 83.5 | 8% | 0.084 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -72 | -41.9 | 177.2 | -68.2 | 168.3 | 142.8 | 0 | 0 | 111.3 | I30 H34 L80 S81 K86 A87 L88 | I30-E84 HydrophobicContact CD1-CB 3.98Å; I30-E84 HydrophobicContact CD1-CG 4.3Å; I30-E84 HydrophobicContact CG1-CB 4.3Å; I30-E84 HydrophobicContact CG1-CG 4.07Å; I30-E84 HydrophobicContact CG2-CB 4.41Å; I30-E84 HydrophobicContact CG2-CG 4.24Å; H34-E84 IonicContact CD2-OE1 3.03Å; H34-E84 PolarHBondContact CD2-OE1 2.8Å; H34-E84 IonicContact CE1-OE2 3.43Å; H34-E84 IonicContact NE2-OE1 3.23Å; H34-E84 PolarHBondContact NE2-OE1 2.65Å; H34-E84 IonicContact NE2-OE2 3.02Å; H34-E84 PolarHBondContact NE2-OE2 3.27Å; H34-E84 VanDerWaalsContact NE2-OE2 3.14Å; L80-E84 WeakPolarHBondContact CA-OE2 3.36Å; L80-E84 HydrophobicContact CB-CB 4.23Å; L80-E84 HydrophobicContact CD2-CB 4.45Å; S81-E84 PolarHBondContact N-OE2 3.47Å; S81-E84 WeakPolarHBondContact O-CB 3.38Å; S81-E84 PolarHBondContact O-N 2.85Å; S81-E84 VanDerWaalsContact OG-CD 3.23Å; S81-E84 WeakPolarHBondContact OG-CG 3.39Å; S81-E84 PolarHBondContact OG-N 3.33Å; S81-E84 PolarHBondContact OG-OE2 3.39Å; E84-K86 VanDerWaalsContact C-N 3.32Å; E84-K86 PolarHBondContact O-N 2.98Å; E84-A87 PolarHBondContact O-N 2.79Å; E84-L88 WeakPolarHBondContact O-CG 3.13Å; E84-L88 PolarHBondContact O-N 3.01Å |
| 85 | M | 93.5 | Very high | 81 | Confident | 18 Ų | 18 | 85.5 Ų | 85.5 | 9% | 0.089 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 172.8 | -71.7 | -62.6 | -69.9 | 0 | 0 | 110.8 | Q54 R55 L80 S81 L88 N89 | Q54-M85 HydrophobicContact CB-CE 3.5Å; Q54-M85 VanDerWaalsContact CB-CE 3.5Å; Q54-M85 HydrophobicContact CB-SD 3.84Å; R55-M85 HydrophobicContact CG-CE 3.82Å; L80-M85 HydrophobicContact CB-CG 3.88Å; L80-M85 HydrophobicContact CB-SD 3.74Å; L80-M85 HydrophobicContact CD1-SD 3.73Å; L80-M85 HydrophobicContact CG-SD 4.37Å; S81-M85 WeakPolarHBondContact O-CG 3.49Å; S81-M85 PolarHBondContact O-N 2.88Å; M85-L88 PolarHBondContact O-N 2.73Å; M85-N89 VanDerWaalsContact O-CB 3.29Å; M85-N89 WeakPolarHBondContact O-CB 3.28Å; M85-N89 PolarHBondContact O-N 3.16Å; M85-N89 PolarHBondContact O-ND2 2.88Å; M85-N89 VanDerWaalsContact O-ND2 3.14Å |
| 86 | K | 92.1 | Very high | 78.8 | Confident | 123 Ų | 123 | 93.7 Ų | 93.7 | 54% | 0.535 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 174.7 | -177 | 177.1 | 175.9 | -177.8 | 0 | 111.3 | D82 E84 L88 N89 E90 | D82-K86 WeakPolarHBondContact O-CB 3.36Å; D82-K86 PolarHBondContact O-N 2.92Å; E84-K86 VanDerWaalsContact C-N 3.32Å; E84-K86 PolarHBondContact O-N 2.98Å; K86-L88 VanDerWaalsContact C-N 3.34Å; K86-L88 PolarHBondContact O-N 3.49Å; K86-N89 PolarHBondContact O-N 2.75Å; K86-E90 WeakPolarHBondContact CE-OE1 3.32Å; K86-E90 HydrophobicContact CG-CG 4.28Å; K86-E90 IonicContact NZ-OE1 3.97Å; K86-E90 WeakPolarHBondContact O-CB 3.39Å; K86-E90 WeakPolarHBondContact O-CG 3.41Å; K86-E90 PolarHBondContact O-N 2.91Å |
| 87 | A | 91.1 | Very high | 76.7 | Confident | 36 Ų | 36 | 88 Ų | 88 | 30% | 0.298 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.5 | -45.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V26 A83 E84 E90 V91 | V26-A87 HydrophobicContact CG1-CB 3.97Å; A83-A87 WeakPolarHBondContact O-CB 2.83Å; A83-A87 PolarHBondContact O-N 3.25Å; E84-A87 PolarHBondContact O-N 2.79Å; A87-E90 PolarHBondContact O-N 2.94Å; A87-V91 WeakPolarHBondContact O-CG2 3.45Å; A87-V91 PolarHBondContact O-N 2.95Å; A87-V91 VanDerWaalsContact O-N 3.08Å |
| 88 | L | 87.5 | Confident | 74.7 | Confident | 8 Ų | 8 | 83.3 Ų | 83.3 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.4 | -36.4 | 177.5 | -71.5 | 167.3 | 0 | 0 | 0 | 113 | V26 A27 I30 I47 L48 W51 L80 E84 M85 K86 E90 V91 | V26-L88 HydrophobicContact CG1-CD2 4.13Å; V26-L88 HydrophobicContact CG1-CG 4.5Å; A27-L88 HydrophobicContact CB-CD2 4.18Å; I30-L88 HydrophobicContact CD1-CD1 3.69Å; I30-L88 HydrophobicContact CD1-CD2 3.93Å; I30-L88 HydrophobicContact CD1-CG 3.51Å; I47-L88 HydrophobicContact CG2-CD1 3.95Å; L48-L88 HydrophobicContact CD2-CD2 4.43Å; W51-L88 HydrophobicContact CB-CD1 3.79Å; W51-L88 HydrophobicContact CD2-CB 4.31Å; W51-L88 HydrophobicContact CG-CB 3.99Å; W51-L88 HydrophobicContact CG-CD1 3.88Å; L80-L88 HydrophobicContact CD1-CD1 3.79Å; E84-L88 WeakPolarHBondContact O-CG 3.13Å; E84-L88 PolarHBondContact O-N 3.01Å; M85-L88 PolarHBondContact O-N 2.73Å; K86-L88 VanDerWaalsContact C-N 3.34Å; K86-L88 PolarHBondContact O-N 3.49Å; L88-E90 VanDerWaalsContact C-N 3.32Å; L88-V91 WeakPolarHBondContact O-CB 3.08Å; L88-V91 PolarHBondContact O-N 3.48Å |
| 89 | N | 83.3 | Confident | 72.8 | Confident | 83 Ų | 83 | 86.4 Ų | 86.4 | 44% | 0.444 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69 | -31.5 | 174.8 | -72 | -24.4 | 0 | 0 | 0 | 112.4 | W51 M85 K86 | W51-N89 PolarHBondContact NE1-OD1 2.89Å; M85-N89 VanDerWaalsContact O-CB 3.29Å; M85-N89 WeakPolarHBondContact O-CB 3.28Å; M85-N89 PolarHBondContact O-N 3.16Å; M85-N89 PolarHBondContact O-ND2 2.88Å; M85-N89 VanDerWaalsContact O-ND2 3.14Å; K86-N89 PolarHBondContact O-N 2.75Å |
| 90 | E | 82.4 | Confident | 71.5 | Confident | 122 Ų | 122 | 80.5 Ų | 80.5 | 57% | 0.57 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -84.3 | -9.4 | 177.7 | -72.8 | 179.2 | 170.2 | 0 | 0 | 113.2 | K86 A87 L88 K92 | K86-E90 WeakPolarHBondContact CE-OE1 3.32Å; K86-E90 HydrophobicContact CG-CG 4.28Å; K86-E90 IonicContact NZ-OE1 3.97Å; K86-E90 WeakPolarHBondContact O-CB 3.39Å; K86-E90 WeakPolarHBondContact O-CG 3.41Å; K86-E90 PolarHBondContact O-N 2.91Å; A87-E90 PolarHBondContact O-N 2.94Å; L88-E90 VanDerWaalsContact C-N 3.32Å; E90-K92 VanDerWaalsContact C-N 3.28Å; E90-K92 PolarHBondContact O-N 2.98Å |
| 91 | V | 71.1 | Confident | 70.7 | Confident | 39 Ų | 39 | 85.5 Ų | 85.5 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -57.7 | 100.6 | 164.3 | 178.1 | 0 | 0 | 0 | 0 | 106.4 | V26 A87 L88 I93 | V26-V91 HydrophobicContact CB-CG2 3.88Å; V26-V91 HydrophobicContact CG1-CG2 4.07Å; V26-V91 HydrophobicContact CG2-CG2 3.88Å; A87-V91 WeakPolarHBondContact O-CG2 3.45Å; A87-V91 PolarHBondContact O-N 2.95Å; A87-V91 VanDerWaalsContact O-N 3.08Å; L88-V91 WeakPolarHBondContact O-CB 3.08Å; L88-V91 PolarHBondContact O-N 3.48Å; V91-I93 PolarHBondContact O-N 3.25Å |
| 92 | K | 57.6 | Low | 69.8 | Low | 191 Ų | 191 | 86.6 Ų | 86.6 | 83% | 0.83 | 43% | 0.432 | S | S | * | . | trans | -50.3 | 109.2 | 175.8 | -72.6 | -173.4 | 179 | -178.6 | 0 | 106.3 | E90 R94 | E90-K92 VanDerWaalsContact C-N 3.28Å; E90-K92 PolarHBondContact O-N 2.98Å; K92-R94 PolarHBondContact O-N 3.01Å | ||
| 93 | I | 47.5 | Very low | 69 | Low | 130 Ų | 130 | 79.9 Ų | 79.9 | 67% | 0.667 | 40% | 0.396 | S | S | * | . | trans | -48.9 | 109.6 | -174.5 | -56 | 175 | 0 | 0 | 0 | 106.1 | V91 Q95 | V91-I93 PolarHBondContact O-N 3.25Å; I93-Q95 HydrophobicContact CB-CG 4.21Å; I93-Q95 HydrophobicContact CG2-CB 4.4Å; I93-Q95 HydrophobicContact CG2-CG 3.45Å; I93-Q95 VanDerWaalsContact CG2-CG 3.45Å; I93-Q95 PolarHBondContact O-N 3.42Å | ||
| 94 | R | 41.5 | Very low | 68.5 | Low | 188 Ų | 188 | 79 Ų | 79 | 71% | 0.709 | 38% | 0.377 | S | S | * | . | trans | -71.6 | 70.6 | 164.5 | -69 | -174 | -177.5 | 176.8 | 2.1 | 105.6 | P19 K92 R96 | P19-R94 HydrophobicContact CB-CB 4.16Å; P19-R94 HydrophobicContact CG-CB 4.07Å; P19-R94 WeakPolarHBondContact CG-O 3.14Å; K92-R94 PolarHBondContact O-N 3.01Å; R94-R96 PolarHBondContact O-N 3.37Å; R94-R96 VanDerWaalsContact O-N 3.11Å | ||
| 95 | Q | 38.4 | Very low | 68.1 | Low | 102 Ų | 102 | 82.4 Ų | 82.4 | 48% | 0.477 | 40% | 0.396 | S | S | . | . | trans | -56.1 | 119.7 | 162.7 | -69.1 | -169.2 | -7 | 0 | 0 | 104.9 | I93 Y97 | I93-Q95 HydrophobicContact CB-CG 4.21Å; I93-Q95 HydrophobicContact CG2-CB 4.4Å; I93-Q95 HydrophobicContact CG2-CG 3.45Å; I93-Q95 VanDerWaalsContact CG2-CG 3.45Å; I93-Q95 PolarHBondContact O-N 3.42Å; Q95-Y97 HydrophobicContact CB-CD2 4.12Å; Q95-Y97 HydrophobicContact CB-CE2 3.89Å; Q95-Y97 WeakPolarHBondContact O-CA 3.31Å; Q95-Y97 WeakPolarHBondContact O-CB 3.25Å; Q95-Y97 WeakPolarHBondContact O-CD2 2.98Å; Q95-Y97 VanDerWaalsContact O-CG 3.25Å; Q95-Y97 PolarHBondContact O-N 3.26Å | ||
| 96 | R | 38.6 | Very low | 67.7 | Low | 176 Ų | 176 | 81.7 Ų | 81.7 | 66% | 0.664 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 28.4 | 17.3 | 158.8 | -96.4 | -178.5 | 178.3 | 144.1 | 0.3 | 121.7 | R94 | R94-R96 PolarHBondContact O-N 3.37Å; R94-R96 VanDerWaalsContact O-N 3.11Å |
| 97 | Y | 41.4 | Very low | 67.5 | Low | 34 Ų | 34 | 76.3 Ų | 76.3 | 13% | 0.133 | 37% | 0.37 | C | S | . | . | trans | -139.5 | 124.8 | -166.4 | -46.8 | -48.2 | 0 | 0 | 0 | 107.9 | Q95 H99 Y123 Y124 Q125 | Q95-Y97 HydrophobicContact CB-CD2 4.12Å; Q95-Y97 HydrophobicContact CB-CE2 3.89Å; Q95-Y97 WeakPolarHBondContact O-CA 3.31Å; Q95-Y97 WeakPolarHBondContact O-CB 3.25Å; Q95-Y97 WeakPolarHBondContact O-CD2 2.98Å; Q95-Y97 VanDerWaalsContact O-CG 3.25Å; Q95-Y97 PolarHBondContact O-N 3.26Å; Y97-H99 WeakPolarHBondContact CB-CE1 3.48Å; Y97-H99 PolarHBondContact O-N 3.05Å; Y97-Y123 WeakPolarHBondContact CE1-O 3.27Å; Y97-Y123 WeakPolarHBondContact CE2-O 3.13Å; Y97-Y123 PolarHBondContact OH-O 3.28Å; Y97-Y124 VanDerWaalsContact CB-O 3.32Å; Y97-Y124 WeakPolarHBondContact CB-O 3.17Å; Y97-Y124 WeakPolarHBondContact CD1-O 3.25Å; Y97-Y124 HydrophobicContact CE1-CD1 4.28Å; Y97-Q125 HydrophobicContact CD2-CB 3.62Å; Y97-Q125 HydrophobicContact CD2-CG 3.92Å; Y97-Q125 VanDerWaalsContact CD2-OE1 3.29Å; Y97-Q125 HydrophobicContact CE2-CB 3.93Å; Y97-Q125 VanDerWaalsContact CE2-CD 3.45Å; Y97-Q125 HydrophobicContact CE2-CG 3.69Å; Y97-Q125 VanDerWaalsContact CE2-OE1 3.3Å; Y97-Q125 HydrophobicContact CG-CB 4.03Å | ||
| 98 | V | 45.4 | Very low | 67.4 | Low | 24 Ų | 24 | 79.3 Ų | 79.3 | 15% | 0.145 | 37% | 0.373 | C | S | . | . | trans | -77.3 | 111.5 | 166.3 | -179.9 | 0 | 0 | 0 | 0 | 106 | I16 K17 T102 L103 T296 | I16-V98 HydrophobicContact CB-CG2 4.44Å; I16-V98 HydrophobicContact CG2-CB 3.16Å; I16-V98 HydrophobicContact CG2-CG1 3.7Å; I16-V98 HydrophobicContact CG2-CG2 3.09Å; K17-V98 HydrophobicContact CB-CG2 4.29Å; K17-V98 WeakPolarHBondContact O-CG2 3.44Å; V98-T102 HydrophobicContact CG1-CG2 3.97Å; V98-L103 HydrophobicContact CB-CB 4.22Å; V98-L103 HydrophobicContact CG1-CB 3.75Å; V98-L103 WeakPolarHBondContact O-CB 3.19Å; V98-L103 WeakPolarHBondContact O-CD2 3.48Å; V98-T296 HydrophobicContact CG2-CG2 4.48Å | ||
| 99 | H | 50.7 | Low | 67.5 | Low | 93 Ų | 93 | 82.2 Ų | 82.2 | 43% | 0.431 | 39% | 0.386 | S | S | . | . | trans | -105.8 | 160.4 | 168.4 | -67 | -19 | 0 | 0 | 0 | 109.2 | Y97 Q125 | Y97-H99 WeakPolarHBondContact CB-CE1 3.48Å; Y97-H99 PolarHBondContact O-N 3.05Å; H99-Q125 VanDerWaalsContact CE1-C 3.42Å; H99-Q125 PolarHBondContact CE1-O 3.42Å; H99-Q125 PolarHBondContact NE2-O 3.41Å | ||
| 100 | G | 65.1 | Low | 67.4 | Low | 25 Ų | 25 | 78.5 Ų | 78.5 | 26% | 0.258 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 84 | -156.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T102 L103 R104 | G100-T102 VanDerWaalsContact C-N 3.31Å; G100-T102 PolarHBondContact O-N 3.15Å; G100-L103 PolarHBondContact O-N 3.36Å; G100-R104 PolarHBondContact O-N 3.41Å |
| 101 | D | 77 | Confident | 67.6 | Low | 111 Ų | 111 | 72.9 Ų | 72.9 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -70 | -25.4 | -164.3 | -58.9 | -29.9 | 0 | 0 | 0 | 113.7 | L103 R104 N105 | D101-L103 PolarHBondContact O-N 2.73Å; D101-R104 PolarHBondContact O-N 3.3Å; D101-R104 IonicContact OD1-NH1 3.14Å; D101-N105 VanDerWaalsContact O-CB 3.25Å; D101-N105 WeakPolarHBondContact O-CB 3.2Å; D101-N105 PolarHBondContact O-N 2.79Å; D101-N105 PolarHBondContact O-ND2 2.82Å |
| 102 | T | 76.4 | Confident | 68.3 | Low | 80 Ų | 80 | 76.6 Ų | 76.6 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.2 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | V98 G100 A106 T296 | V98-T102 HydrophobicContact CG1-CG2 3.97Å; G100-T102 VanDerWaalsContact C-N 3.31Å; G100-T102 PolarHBondContact O-N 3.15Å; T102-A106 VanDerWaalsContact O-CB 3.24Å; T102-A106 WeakPolarHBondContact O-CB 3.34Å; T102-A106 PolarHBondContact O-N 3.46Å; T102-T296 HydrophobicContact CG2-CG2 3.99Å |
| 103 | L | 77.5 | Confident | 69.5 | Low | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.4 | -44.7 | 176.1 | 171.1 | 59.8 | 0 | 0 | 0 | 110.3 | I16 V98 G100 D101 N105 A106 L107 N126 V129 | I16-L103 HydrophobicContact CB-CD1 4.27Å; I16-L103 HydrophobicContact CD1-CD1 3.26Å; I16-L103 HydrophobicContact CG1-CD1 4.34Å; I16-L103 HydrophobicContact CG2-CD1 4.2Å; V98-L103 HydrophobicContact CB-CB 4.22Å; V98-L103 HydrophobicContact CG1-CB 3.75Å; V98-L103 WeakPolarHBondContact O-CB 3.19Å; V98-L103 WeakPolarHBondContact O-CD2 3.48Å; G100-L103 PolarHBondContact O-N 3.36Å; D101-L103 PolarHBondContact O-N 2.73Å; L103-N105 PolarHBondContact O-N 2.91Å; L103-A106 PolarHBondContact O-N 2.79Å; L103-L107 WeakPolarHBondContact O-CB 3.35Å; L103-L107 PolarHBondContact O-N 2.95Å; L103-N126 HydrophobicContact CD2-CB 3.59Å; L103-V129 HydrophobicContact CB-CG1 4.24Å; L103-V129 HydrophobicContact CD2-CB 3.68Å; L103-V129 HydrophobicContact CD2-CG1 3.59Å; L103-V129 HydrophobicContact CD2-CG2 4.29Å; L103-V129 HydrophobicContact CG-CB 4.39Å; L103-V129 HydrophobicContact CG-CG1 3.75Å |
| 104 | R | 86 | Confident | 71.1 | Confident | 53 Ų | 53 | 64 Ų | 64 | 20% | 0.2 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.9 | -47.9 | 178.7 | -66.6 | -174.2 | 179.4 | 93.6 | 5.3 | 112 | G100 D101 L107 R108 V129 E132 V133 | G100-R104 PolarHBondContact O-N 3.41Å; D101-R104 PolarHBondContact O-N 3.3Å; D101-R104 IonicContact OD1-NH1 3.14Å; R104-L107 PolarHBondContact O-N 3.23Å; R104-R108 WeakPolarHBondContact O-CB 3.27Å; R104-R108 VanDerWaalsContact O-CG 3.31Å; R104-R108 WeakPolarHBondContact O-CG 3.37Å; R104-R108 PolarHBondContact O-N 3.2Å; R104-V129 HydrophobicContact CG-CG1 3.48Å; R104-V129 VanDerWaalsContact CG-CG1 3.48Å; R104-E132 IonicContact CZ-OE2 3.33Å; R104-E132 IonicContact NE-OE2 3.58Å; R104-E132 PolarHBondContact NE-OE2 3.03Å; R104-E132 IonicContact NH2-OE2 2.63Å; R104-E132 PolarHBondContact NH2-OE2 2.64Å; R104-V133 HydrophobicContact CB-CG2 4.05Å; R104-V133 HydrophobicContact CG-CG2 3.93Å |
| 105 | N | 87.1 | Confident | 72.8 | Confident | 90 Ų | 90 | 55 Ų | 55 | 48% | 0.481 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.2 | -40.1 | -179 | -67.8 | -17.5 | 0 | 0 | 0 | 112 | D101 L103 K109 | D101-N105 VanDerWaalsContact O-CB 3.25Å; D101-N105 WeakPolarHBondContact O-CB 3.2Å; D101-N105 PolarHBondContact O-N 2.79Å; D101-N105 PolarHBondContact O-ND2 2.82Å; L103-N105 PolarHBondContact O-N 2.91Å; N105-K109 WeakPolarHBondContact O-CB 3.46Å; N105-K109 PolarHBondContact O-N 2.77Å |
| 106 | A | 84.3 | Confident | 75 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I16 T102 L103 K109 V110 I301 | I16-A106 HydrophobicContact CD1-CB 3.51Å; I16-A106 HydrophobicContact CG1-CB 4.41Å; T102-A106 VanDerWaalsContact O-CB 3.24Å; T102-A106 WeakPolarHBondContact O-CB 3.34Å; T102-A106 PolarHBondContact O-N 3.46Å; L103-A106 PolarHBondContact O-N 2.79Å; A106-K109 PolarHBondContact O-N 3.31Å; A106-V110 WeakPolarHBondContact O-CB 3.41Å; A106-V110 WeakPolarHBondContact O-CG2 3.19Å; A106-V110 PolarHBondContact O-N 3.34Å; A106-I301 HydrophobicContact CB-CD1 3.96Å |
| 107 | L | 87.5 | Confident | 77.3 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -38.9 | 178.4 | -176.4 | 58.1 | 0 | 0 | 0 | 112.6 | L103 R104 V110 L111 I118 I130 V133 | L103-L107 WeakPolarHBondContact O-CB 3.35Å; L103-L107 PolarHBondContact O-N 2.95Å; R104-L107 PolarHBondContact O-N 3.23Å; L107-V110 HydrophobicContact CD1-CG1 4.42Å; L107-V110 WeakPolarHBondContact O-CB 3.37Å; L107-V110 PolarHBondContact O-N 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.15Å; L107-L111 PolarHBondContact O-N 2.83Å; L107-I118 HydrophobicContact CD1-CD1 3.85Å; L107-I118 HydrophobicContact CD1-CG1 4.04Å; L107-I130 HydrophobicContact CD2-CB 4.12Å; L107-I130 HydrophobicContact CD2-CG1 3.96Å; L107-I130 HydrophobicContact CD2-CG2 4.12Å; L107-V133 HydrophobicContact CB-CG1 4.17Å; L107-V133 HydrophobicContact CD2-CB 3.67Å; L107-V133 HydrophobicContact CD2-CG1 3.75Å; L107-V133 HydrophobicContact CD2-CG2 4.13Å; L107-V133 HydrophobicContact CG-CB 4.23Å; L107-V133 HydrophobicContact CG-CG1 3.73Å |
| 108 | R | 89.9 | Confident | 79.6 | Confident | 99 Ų | 99 | 44 Ų | 44 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.1 | -48.9 | 170.2 | -74.5 | 172.5 | -179.3 | 157.6 | -4.4 | 111 | R104 V110 L111 D112 V133 | R104-R108 WeakPolarHBondContact O-CB 3.27Å; R104-R108 VanDerWaalsContact O-CG 3.31Å; R104-R108 WeakPolarHBondContact O-CG 3.37Å; R104-R108 PolarHBondContact O-N 3.2Å; R108-V110 VanDerWaalsContact C-N 3.27Å; R108-V110 PolarHBondContact O-N 3.45Å; R108-L111 PolarHBondContact O-N 3.38Å; R108-L111 VanDerWaalsContact O-N 3.1Å; R108-D112 WeakPolarHBondContact O-CB 3.17Å; R108-D112 PolarHBondContact O-N 3.14Å; R108-V133 HydrophobicContact CG-CG1 3.94Å |
| 109 | K | 88.5 | Confident | 81.8 | Confident | 70 Ų | 70 | 42.9 Ų | 42.9 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.3 | -39.7 | 177.9 | -177.5 | 58.2 | 178.4 | 169.9 | 0 | 112.2 | N105 A106 D112 V113 P298 I301 | N105-K109 WeakPolarHBondContact O-CB 3.46Å; N105-K109 PolarHBondContact O-N 2.77Å; A106-K109 PolarHBondContact O-N 3.31Å; K109-D112 PolarHBondContact O-N 3.4Å; K109-V113 HydrophobicContact CD-CG1 4Å; K109-V113 HydrophobicContact CG-CG1 4.44Å; K109-V113 WeakPolarHBondContact O-CG1 3.21Å; K109-V113 WeakPolarHBondContact O-CG2 3.14Å; K109-V113 PolarHBondContact O-N 3.37Å; K109-P298 HydrophobicContact CG-CB 4.09Å; K109-I301 HydrophobicContact CB-CD1 4.37Å; K109-I301 HydrophobicContact CG-CB 4.38Å; K109-I301 HydrophobicContact CG-CD1 4.34Å; K109-I301 HydrophobicContact CG-CG2 4.08Å |
| 110 | V | 81.8 | Confident | 83.9 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.4 | -53.3 | 174 | 163.7 | 0 | 0 | 0 | 0 | 110.1 | I14 A106 L107 R108 D112 V113 C115 I301 | I14-V110 HydrophobicContact CB-CG2 4.21Å; I14-V110 HydrophobicContact CD1-CG2 3.77Å; I14-V110 HydrophobicContact CG1-CG2 4.16Å; A106-V110 WeakPolarHBondContact O-CB 3.41Å; A106-V110 WeakPolarHBondContact O-CG2 3.19Å; A106-V110 PolarHBondContact O-N 3.34Å; L107-V110 HydrophobicContact CD1-CG1 4.42Å; L107-V110 WeakPolarHBondContact O-CB 3.37Å; L107-V110 PolarHBondContact O-N 3.24Å; R108-V110 VanDerWaalsContact C-N 3.27Å; R108-V110 PolarHBondContact O-N 3.45Å; V110-D112 VanDerWaalsContact C-N 3.34Å; V110-D112 PolarHBondContact O-N 2.95Å; V110-V113 WeakPolarHBondContact O-CG2 3.3Å; V110-V113 PolarHBondContact O-N 3.3Å; V110-C115 HydrophobicContact CB-CB 4.4Å; V110-C115 HydrophobicContact CG1-CB 3.42Å; V110-C115 VanDerWaalsContact CG1-CB 3.42Å; V110-C115 WeakPolarHBondContact CG1-SG 3.37Å; V110-C115 WeakPolarHBondContact O-CB 3.38Å; V110-C115 PolarHBondContact O-N 3.4Å; V110-C115 VanDerWaalsContact O-N 3.14Å; V110-I301 HydrophobicContact CB-CG2 4.47Å; V110-I301 HydrophobicContact CG2-CD1 4.24Å; V110-I301 HydrophobicContact CG2-CG1 4.47Å; V110-I301 HydrophobicContact CG2-CG2 3.68Å |
| 111 | L | 86.7 | Confident | 85.1 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 177.8 | -65 | 166.9 | 0 | 0 | 0 | 112.1 | L107 R108 V113 G114 R116 V133 L134 W137 V148 | L107-L111 WeakPolarHBondContact O-CG 3.15Å; L107-L111 PolarHBondContact O-N 2.83Å; R108-L111 PolarHBondContact O-N 3.38Å; R108-L111 VanDerWaalsContact O-N 3.1Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 PolarHBondContact O-N 2.99Å; L111-G114 PolarHBondContact O-N 3.42Å; L111-G114 VanDerWaalsContact O-N 3.15Å; L111-R116 PolarHBondContact O-NH1 3.34Å; L111-V133 HydrophobicContact CD1-CG1 4.11Å; L111-L134 HydrophobicContact CD1-CD2 4.4Å; L111-W137 HydrophobicContact CD1-CB 4.02Å; L111-W137 HydrophobicContact CD1-CD2 4.01Å; L111-W137 HydrophobicContact CD1-CG 3.73Å; L111-W137 HydrophobicContact CD2-CD2 4.3Å; L111-W137 HydrophobicContact CD2-CE3 4.44Å; L111-W137 HydrophobicContact CD2-CH2 4.49Å; L111-W137 HydrophobicContact CD2-CZ2 4.36Å; L111-V148 HydrophobicContact CD2-CG1 4.04Å |
| 112 | D | 86.6 | Confident | 85.8 | Confident | 118 Ų | 118 | 33.2 Ų | 33.2 | 63% | 0.631 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -63.7 | -34.4 | 179.3 | -64.5 | -21.8 | 0 | 0 | 0 | 113 | R108 K109 V110 G114 | R108-D112 WeakPolarHBondContact O-CB 3.17Å; R108-D112 PolarHBondContact O-N 3.14Å; K109-D112 PolarHBondContact O-N 3.4Å; V110-D112 VanDerWaalsContact C-N 3.34Å; V110-D112 PolarHBondContact O-N 2.95Å; D112-G114 PolarHBondContact O-N 3.07Å |
| 113 | V | 81.7 | Confident | 86.2 | Confident | 32 Ų | 32 | 32 Ų | 32 | 19% | 0.194 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 5.7 | 177.9 | -60.1 | 0 | 0 | 0 | 0 | 113.4 | K109 V110 L111 I301 A302 V305 | K109-V113 HydrophobicContact CD-CG1 4Å; K109-V113 HydrophobicContact CG-CG1 4.44Å; K109-V113 WeakPolarHBondContact O-CG1 3.21Å; K109-V113 WeakPolarHBondContact O-CG2 3.14Å; K109-V113 PolarHBondContact O-N 3.37Å; V110-V113 WeakPolarHBondContact O-CG2 3.3Å; V110-V113 PolarHBondContact O-N 3.3Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 PolarHBondContact O-N 2.99Å; V113-I301 HydrophobicContact CG2-CG2 3.89Å; V113-A302 HydrophobicContact CG1-CB 4.25Å; V113-V305 HydrophobicContact CB-CG2 3.93Å; V113-V305 HydrophobicContact CG2-CG2 3.45Å; V113-V305 VanDerWaalsContact CG2-CG2 3.45Å |
| 114 | G | 80.7 | Confident | 86.5 | Confident | 23 Ų | 23 | 33.9 Ų | 33.9 | 24% | 0.237 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -2.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L111 D112 R116 | L111-G114 PolarHBondContact O-N 3.42Å; L111-G114 VanDerWaalsContact O-N 3.15Å; D112-G114 PolarHBondContact O-N 3.07Å; G114-R116 PolarHBondContact O-N 3.15Å; G114-R116 PolarHBondContact O-NH1 3.48Å |
| 115 | C | 77.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -63.6 | 132.7 | 175.7 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | V12 V110 H117 | V12-C115 HydrophobicContact CB-CB 3.76Å; V12-C115 HydrophobicContact CG1-CB 4.24Å; V12-C115 PolarHBondContact O-SG 3.45Å; V110-C115 HydrophobicContact CB-CB 4.4Å; V110-C115 HydrophobicContact CG1-CB 3.42Å; V110-C115 VanDerWaalsContact CG1-CB 3.42Å; V110-C115 WeakPolarHBondContact CG1-SG 3.37Å; V110-C115 WeakPolarHBondContact O-CB 3.38Å; V110-C115 PolarHBondContact O-N 3.4Å; V110-C115 VanDerWaalsContact O-N 3.14Å; C115-H117 PolarHBondContact SG-O 3.29Å | ||
| 116 | R | 85.4 | Confident | 86.4 | Confident | 64 Ų | 64 | 32 Ų | 32 | 24% | 0.242 | 15% | 0.151 | C | C | . | . | trans | -116.8 | -11.1 | 177.7 | -64.9 | -52.9 | 173 | -106.1 | 2.1 | 114.8 | L111 G114 D147 V148 F149 | L111-R116 PolarHBondContact O-NH1 3.34Å; G114-R116 PolarHBondContact O-N 3.15Å; G114-R116 PolarHBondContact O-NH1 3.48Å; R116-D147 WeakPolarHBondContact CB-O 3.48Å; R116-D147 WeakPolarHBondContact CD-O 3.11Å; R116-D147 WeakPolarHBondContact CG-O 3.32Å; R116-V148 CarbonylContact O-C 3.44Å; R116-V148 VanDerWaalsContact O-CA 3.27Å; R116-V148 WeakPolarHBondContact O-CA 3.13Å; R116-F149 PolarHBondContact O-N 2.94Å | ||
| 117 | H | 86 | Confident | 86.8 | Confident | 9 Ų | 9 | 31.9 Ų | 31.9 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.3 | -179.4 | -165.1 | 128.6 | 0 | 0 | 0 | 113 | Y13 C115 F149 V151 | Y13-H117 HydrophobicContact CD1-CB 3.36Å; Y13-H117 AromaticContact CD1-CD2 3.19Å; Y13-H117 WeakPolarHBondContact CD1-CD2 3.43Å; Y13-H117 AromaticContact CD1-CE1 3.79Å; Y13-H117 AromaticContact CD1-CG 3.12Å; Y13-H117 AromaticContact CD1-ND1 3.56Å; Y13-H117 AromaticContact CD1-NE2 3.6Å; Y13-H117 HydrophobicContact CE1-CB 3.44Å; Y13-H117 VanDerWaalsContact CE1-CB 3.44Å; Y13-H117 AromaticContact CE1-CD2 3.52Å; Y13-H117 AromaticContact CE1-CE1 3.31Å; Y13-H117 WeakPolarHBondContact CE1-CE1 3.16Å; Y13-H117 AromaticContact CE1-CG 3.08Å; Y13-H117 AromaticContact CE1-ND1 2.98Å; Y13-H117 WeakPolarHBondContact CE1-ND1 3.42Å; Y13-H117 AromaticContact CE1-NE2 3.62Å; Y13-H117 HydrophobicContact CG-CB 4.02Å; Y13-H117 AromaticContact CZ-ND1 3.91Å; C115-H117 PolarHBondContact SG-O 3.29Å; H117-F149 CarbonylContact C-O 3.46Å; H117-F149 WeakPolarHBondContact CA-O 3.42Å; H117-F149 HydrophobicContact CB-CB 4.38Å; H117-F149 AromaticContact CE1-CD1 3.25Å; H117-F149 WeakPolarHBondContact CE1-CD1 3.4Å; H117-F149 AromaticContact CE1-CE1 3.53Å; H117-F149 AromaticContact CG-CD1 3.96Å; H117-F149 AromaticContact ND1-CD1 3.27Å; H117-F149 VanDerWaalsContact ND1-CD1 3.27Å; H117-F149 WeakPolarHBondContact ND1-CD1 3.07Å; H117-F149 AromaticContact ND1-CE1 3.95Å; H117-F149 AromaticContact ND1-CG 3.77Å; H117-F149 AromaticContact NE2-CD1 3.89Å; H117-V151 WeakPolarHBondContact NE2-CG2 3.19Å |
| 118 | I | 90.3 | Very high | 87.1 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.036 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 113.5 | 179.9 | -60.5 | 165 | 0 | 0 | 0 | 108.8 | L107 I130 L134 F149 V151 | L107-I118 HydrophobicContact CD1-CD1 3.85Å; L107-I118 HydrophobicContact CD1-CG1 4.04Å; I118-I130 HydrophobicContact CG2-CD1 4.22Å; I118-I130 HydrophobicContact CG2-CG2 4.06Å; I118-L134 HydrophobicContact CD1-CD1 4.23Å; I118-L134 HydrophobicContact CD1-CD2 3.77Å; I118-L134 HydrophobicContact CD1-CG 4.27Å; I118-F149 PolarHBondContact N-O 3.46Å; I118-V151 PolarHBondContact O-N 3.38Å |
| 119 | D | 92 | Very high | 87.1 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.011 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122.3 | 172.5 | -178.4 | 86.3 | 0 | 0 | 0 | 110.5 | L15 K153 Q238 I292 | L15-D119 WeakPolarHBondContact CD1-OD2 3.31Å; L15-D119 WeakPolarHBondContact CD2-O 3.37Å; L15-D119 HydrophobicContact CG-CB 4.49Å; L15-D119 WeakPolarHBondContact CG-O 3.4Å; D119-K153 IonicContact OD1-NZ 2.77Å; D119-K153 PolarHBondContact OD1-NZ 3.32Å; D119-K153 IonicContact OD2-NZ 2.73Å; D119-K153 PolarHBondContact OD2-NZ 3.15Å; D119-Q238 PolarHBondContact OD1-NE2 3.34Å; D119-I292 HydrophobicContact CB-CD1 3.93Å; D119-I292 HydrophobicContact CB-CG2 4.32Å |
| 120 | T | 93.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -136.3 | -173.9 | 172.2 | -168 | 0 | 0 | 0 | 0 | 111.5 | N126 E127 I130 V151 T152 K153 L175 | T120-N126 PolarHBondContact OG1-OD1 3.21Å; T120-E127 HydrophobicContact CG2-CG 3.96Å; T120-I130 HydrophobicContact CG2-CD1 3.9Å; T120-V151 VanDerWaalsContact CG2-O 3.23Å; T120-V151 WeakPolarHBondContact CG2-O 3.34Å; T120-V151 PolarHBondContact N-O 3.3Å; T120-T152 WeakPolarHBondContact O-CA 3.28Å; T120-K153 WeakPolarHBondContact O-CG 3.18Å; T120-K153 PolarHBondContact O-NZ 3.09Å; T120-L175 HydrophobicContact CG2-CD2 4.17Å | ||
| 121 | A | 92.1 | Very high | 88 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -156.5 | 154.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y123 Y124 T152 K153 H186 | A121-Y123 PolarHBondContact O-N 3.42Å; A121-Y123 VanDerWaalsContact O-N 3.14Å; A121-Y124 HydrophobicContact CB-CD1 3.94Å; A121-Y124 HydrophobicContact CB-CD2 3.62Å; A121-Y124 HydrophobicContact CB-CE1 3.82Å; A121-Y124 HydrophobicContact CB-CE2 3.48Å; A121-Y124 VanDerWaalsContact CB-CE2 3.48Å; A121-Y124 HydrophobicContact CB-CG 3.82Å; A121-Y124 WeakPolarHBondContact O-CB 3.3Å; A121-Y124 PolarHBondContact O-N 2.71Å; A121-T152 WeakPolarHBondContact CA-OG1 3.37Å; A121-K153 HydrophobicContact CB-CB 3.79Å; A121-K153 HydrophobicContact CB-CD 3.97Å; A121-K153 HydrophobicContact CB-CG 3.79Å; A121-H186 VanDerWaalsContact CB-CE1 3.46Å; A121-H186 WeakPolarHBondContact CB-CE1 3.49Å | ||
| 122 | H | 89.8 | Confident | 88.4 | Confident | 26 Ų | 26 | 29.5 Ų | 29.5 | 12% | 0.12 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -51 | -41.7 | 172.1 | -177.1 | 102.8 | 0 | 0 | 0 | 112.2 | Y124 Q125 T152 K153 P155 E170 | H122-Y124 PolarHBondContact O-N 3.4Å; H122-Q125 PolarHBondContact O-N 3.12Å; H122-T152 PolarHBondContact N-OG1 3.45Å; H122-K153 PolarHBondContact N-O 3.35Å; H122-P155 HydrophobicContact CB-CB 4.47Å; H122-P155 HydrophobicContact CB-CG 4.29Å; H122-E170 IonicContact CE1-OE2 2.91Å; H122-E170 PolarHBondContact CE1-OE2 2.93Å |
| 123 | Y | 84.6 | Confident | 88.8 | Confident | 53 Ų | 53 | 24 Ų | 24 | 21% | 0.208 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -62.1 | -29.3 | 177.5 | -86.1 | -62.6 | 0 | 0 | 0 | 112.7 | Y97 A121 Q125 P155 W156 H157 H186 | Y97-Y123 WeakPolarHBondContact CE1-O 3.27Å; Y97-Y123 WeakPolarHBondContact CE2-O 3.13Å; Y97-Y123 PolarHBondContact OH-O 3.28Å; A121-Y123 PolarHBondContact O-N 3.42Å; A121-Y123 VanDerWaalsContact O-N 3.14Å; Y123-Q125 PolarHBondContact O-N 3.22Å; Y123-P155 HydrophobicContact CD2-CB 4Å; Y123-P155 VanDerWaalsContact CE2-CA 3.43Å; Y123-P155 HydrophobicContact CE2-CB 3.34Å; Y123-W156 AromaticContact CE2-CD1 3.26Å; Y123-W156 HydrophobicContact CE2-CG 4.11Å; Y123-W156 AromaticContact CE2-NE1 3.8Å; Y123-W156 AromaticContact CZ-CD1 3.29Å; Y123-W156 AromaticContact CZ-NE1 3.31Å; Y123-W156 VanDerWaalsContact CZ-NE1 3.31Å; Y123-W156 PolarHBondContact OH-NE1 2.84Å; Y123-H157 PolarHBondContact OH-CD2 3.45Å; Y123-H157 PolarHBondContact OH-NE2 2.78Å; Y123-H186 AromaticContact CD2-ND1 3.92Å |
| 124 | Y | 85 | Confident | 89.5 | Confident | 46 Ų | 46 | 22.4 Ų | 22.4 | 18% | 0.18 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -69.6 | -5.1 | -174.4 | -56 | -17.7 | 0 | 0 | 0 | 114.5 | L15 Y97 A121 H122 N126 K153 H186 | L15-Y124 HydrophobicContact CD1-CE2 3.75Å; L15-Y124 HydrophobicContact CD2-CD2 3.4Å; L15-Y124 VanDerWaalsContact CD2-CD2 3.4Å; L15-Y124 HydrophobicContact CD2-CE2 3.34Å; L15-Y124 HydrophobicContact CD2-CG 4.47Å; L15-Y124 HydrophobicContact CG-CE2 4.18Å; Y97-Y124 VanDerWaalsContact CB-O 3.32Å; Y97-Y124 WeakPolarHBondContact CB-O 3.17Å; Y97-Y124 WeakPolarHBondContact CD1-O 3.25Å; Y97-Y124 HydrophobicContact CE1-CD1 4.28Å; A121-Y124 HydrophobicContact CB-CD1 3.94Å; A121-Y124 HydrophobicContact CB-CD2 3.62Å; A121-Y124 HydrophobicContact CB-CE1 3.82Å; A121-Y124 HydrophobicContact CB-CE2 3.48Å; A121-Y124 VanDerWaalsContact CB-CE2 3.48Å; A121-Y124 HydrophobicContact CB-CG 3.82Å; A121-Y124 WeakPolarHBondContact O-CB 3.3Å; A121-Y124 PolarHBondContact O-N 2.71Å; H122-Y124 PolarHBondContact O-N 3.4Å; Y124-N126 VanDerWaalsContact CB-OD1 3.26Å; Y124-N126 WeakPolarHBondContact CB-OD1 3.21Å; Y124-N126 VanDerWaalsContact O-CB 3.31Å; Y124-N126 WeakPolarHBondContact O-CB 3.48Å; Y124-N126 PolarHBondContact O-N 2.96Å; Y124-K153 PolarHBondContact OH-NZ 3.44Å; Y124-H186 AromaticContact CE1-CE1 3.68Å; Y124-H186 AromaticContact CZ-CE1 3.87Å; Y124-H186 AromaticContact CZ-NE2 3.92Å; Y124-H186 PolarHBondContact OH-NE2 3.08Å |
| 125 | Q | 83.7 | Confident | 90.3 | Very high | 92 Ų | 92 | 25.1 Ų | 25.1 | 43% | 0.43 | 11% | 0.114 | S | C | . | . | S | Bend | trans | 48.7 | 19.9 | 176.7 | -65.9 | -177.2 | -10.7 | 0 | 0 | 114.4 | Y97 H99 H122 Y123 | Y97-Q125 HydrophobicContact CD2-CB 3.62Å; Y97-Q125 HydrophobicContact CD2-CG 3.92Å; Y97-Q125 VanDerWaalsContact CD2-OE1 3.29Å; Y97-Q125 HydrophobicContact CE2-CB 3.93Å; Y97-Q125 VanDerWaalsContact CE2-CD 3.45Å; Y97-Q125 HydrophobicContact CE2-CG 3.69Å; Y97-Q125 VanDerWaalsContact CE2-OE1 3.3Å; Y97-Q125 HydrophobicContact CG-CB 4.03Å; H99-Q125 VanDerWaalsContact CE1-C 3.42Å; H99-Q125 PolarHBondContact CE1-O 3.42Å; H99-Q125 PolarHBondContact NE2-O 3.41Å; H122-Q125 PolarHBondContact O-N 3.12Å; Y123-Q125 PolarHBondContact O-N 3.22Å |
| 126 | N | 87.3 | Confident | 91.2 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 5% | 0.053 | 14% | 0.135 | C | C | . | . | trans | -121.1 | 5.2 | -171.1 | 64.4 | -4 | 0 | 0 | 0 | 112.3 | L103 T120 Y124 D128 V129 I130 | L103-N126 HydrophobicContact CD2-CB 3.59Å; T120-N126 PolarHBondContact OG1-OD1 3.21Å; Y124-N126 VanDerWaalsContact CB-OD1 3.26Å; Y124-N126 WeakPolarHBondContact CB-OD1 3.21Å; Y124-N126 VanDerWaalsContact O-CB 3.31Å; Y124-N126 WeakPolarHBondContact O-CB 3.48Å; Y124-N126 PolarHBondContact O-N 2.96Å; N126-D128 PolarHBondContact O-N 3.33Å; N126-V129 PolarHBondContact O-N 2.97Å; N126-I130 VanDerWaalsContact O-CG1 3.28Å; N126-I130 WeakPolarHBondContact O-CG1 3.32Å; N126-I130 PolarHBondContact O-N 2.91Å | ||
| 127 | E | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.8 | -34.4 | 178.2 | -70.3 | -179.2 | 133.3 | 0 | 0 | 112 | T120 I130 G131 T152 S171 K174 L175 | T120-E127 HydrophobicContact CG2-CG 3.96Å; E127-I130 PolarHBondContact O-N 3.46Å; E127-G131 PolarHBondContact O-N 3.41Å; E127-T152 WeakPolarHBondContact OE1-CB 3.49Å; E127-T152 PolarHBondContact OE1-OG1 3.01Å; E127-S171 VanDerWaalsContact CD-OG 3.27Å; E127-S171 WeakPolarHBondContact OE1-CB 3.28Å; E127-S171 PolarHBondContact OE1-OG 3.38Å; E127-S171 PolarHBondContact OE2-OG 2.94Å; E127-K174 HydrophobicContact CB-CB 3.65Å; E127-K174 HydrophobicContact CB-CD 4.19Å; E127-K174 CarbonylContact O-C 3.56Å; E127-L175 HydrophobicContact CB-CD2 3.96Å; E127-L175 HydrophobicContact CB-CG 4Å; E127-L175 HydrophobicContact CG-CD2 4.19Å; E127-L175 HydrophobicContact CG-CG 4.27Å; E127-L175 WeakPolarHBondContact O-CA 3.49Å |
| 128 | D | 93.1 | Very high | 92.2 | Very high | 69 Ų | 69 | 29 Ų | 29 | 37% | 0.369 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.8 | -47.2 | 175 | 61.6 | -33 | 0 | 0 | 0 | 111.9 | N126 G131 E132 K174 | N126-D128 PolarHBondContact O-N 3.33Å; D128-G131 PolarHBondContact O-N 2.83Å; D128-E132 WeakPolarHBondContact O-CG 3.35Å; D128-E132 PolarHBondContact O-N 3.43Å; D128-K174 WeakPolarHBondContact CA-O 3.18Å; D128-K174 HydrophobicContact CB-CB 4.46Å |
| 129 | V | 90.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.024 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 176.8 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | L103 R104 N126 G131 E132 V133 | L103-V129 HydrophobicContact CB-CG1 4.24Å; L103-V129 HydrophobicContact CD2-CB 3.68Å; L103-V129 HydrophobicContact CD2-CG1 3.59Å; L103-V129 HydrophobicContact CD2-CG2 4.29Å; L103-V129 HydrophobicContact CG-CB 4.39Å; L103-V129 HydrophobicContact CG-CG1 3.75Å; R104-V129 HydrophobicContact CG-CG1 3.48Å; R104-V129 VanDerWaalsContact CG-CG1 3.48Å; N126-V129 PolarHBondContact O-N 2.97Å; V129-G131 VanDerWaalsContact C-N 3.34Å; V129-E132 PolarHBondContact O-N 3.4Å; V129-V133 WeakPolarHBondContact O-CG2 3.3Å; V129-V133 PolarHBondContact O-N 2.74Å; V129-V133 VanDerWaalsContact O-N 3.11Å |
| 130 | I | 93 | Very high | 92.7 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 175 | -68.2 | 164.4 | 0 | 0 | 0 | 109.9 | L107 I118 T120 N126 E127 E132 V133 L134 L175 | L107-I130 HydrophobicContact CD2-CB 4.12Å; L107-I130 HydrophobicContact CD2-CG1 3.96Å; L107-I130 HydrophobicContact CD2-CG2 4.12Å; I118-I130 HydrophobicContact CG2-CD1 4.22Å; I118-I130 HydrophobicContact CG2-CG2 4.06Å; T120-I130 HydrophobicContact CG2-CD1 3.9Å; N126-I130 VanDerWaalsContact O-CG1 3.28Å; N126-I130 WeakPolarHBondContact O-CG1 3.32Å; N126-I130 PolarHBondContact O-N 2.91Å; E127-I130 PolarHBondContact O-N 3.46Å; I130-E132 PolarHBondContact O-N 2.98Å; I130-V133 PolarHBondContact O-N 3.18Å; I130-L134 HydrophobicContact CG2-CD1 3.9Å; I130-L134 HydrophobicContact CG2-CG 4.33Å; I130-L134 WeakPolarHBondContact O-CB 3.45Å; I130-L134 WeakPolarHBondContact O-CG 3.13Å; I130-L134 PolarHBondContact O-N 3.24Å; I130-L175 HydrophobicContact CB-CD2 4.09Å; I130-L175 HydrophobicContact CG2-CD2 3.78Å |
| 131 | G | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E127 D128 V129 Q135 L175 | E127-G131 PolarHBondContact O-N 3.41Å; D128-G131 PolarHBondContact O-N 2.83Å; V129-G131 VanDerWaalsContact C-N 3.34Å; G131-Q135 WeakPolarHBondContact O-CB 3.47Å; G131-Q135 WeakPolarHBondContact O-CG 3.49Å; G131-Q135 PolarHBondContact O-N 3.2Å; G131-L175 WeakPolarHBondContact CA-O 3.37Å |
| 132 | E | 95.4 | Very high | 92.8 | Very high | 59 Ų | 59 | 42.7 Ų | 42.7 | 28% | 0.276 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 173.6 | -74.5 | 173.6 | 178.3 | 0 | 0 | 112.9 | R104 D128 V129 I130 Q135 Q136 | R104-E132 IonicContact CZ-OE2 3.33Å; R104-E132 IonicContact NE-OE2 3.58Å; R104-E132 PolarHBondContact NE-OE2 3.03Å; R104-E132 IonicContact NH2-OE2 2.63Å; R104-E132 PolarHBondContact NH2-OE2 2.64Å; D128-E132 WeakPolarHBondContact O-CG 3.35Å; D128-E132 PolarHBondContact O-N 3.43Å; V129-E132 PolarHBondContact O-N 3.4Å; I130-E132 PolarHBondContact O-N 2.98Å; E132-Q135 PolarHBondContact O-N 2.87Å; E132-Q136 WeakPolarHBondContact O-CG 3.43Å; E132-Q136 PolarHBondContact O-N 3.32Å; E132-Q136 VanDerWaalsContact O-N 3.07Å |
| 133 | V | 94.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.4 | -42.6 | -179.4 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | R104 L107 R108 L111 V129 I130 Q136 W137 | R104-V133 HydrophobicContact CB-CG2 4.05Å; R104-V133 HydrophobicContact CG-CG2 3.93Å; L107-V133 HydrophobicContact CB-CG1 4.17Å; L107-V133 HydrophobicContact CD2-CB 3.67Å; L107-V133 HydrophobicContact CD2-CG1 3.75Å; L107-V133 HydrophobicContact CD2-CG2 4.13Å; L107-V133 HydrophobicContact CG-CB 4.23Å; L107-V133 HydrophobicContact CG-CG1 3.73Å; R108-V133 HydrophobicContact CG-CG1 3.94Å; L111-V133 HydrophobicContact CD1-CG1 4.11Å; V129-V133 WeakPolarHBondContact O-CG2 3.3Å; V129-V133 PolarHBondContact O-N 2.74Å; V129-V133 VanDerWaalsContact O-N 3.11Å; I130-V133 PolarHBondContact O-N 3.18Å; V133-Q136 PolarHBondContact O-N 3.18Å; V133-W137 WeakPolarHBondContact O-CB 3.07Å; V133-W137 PolarHBondContact O-N 3.29Å |
| 134 | L | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 176.4 | -75.6 | 177.7 | 0 | 0 | 0 | 111.5 | L111 I118 I130 Q136 W137 F138 V148 V150 L177 | L111-L134 HydrophobicContact CD1-CD2 4.4Å; I118-L134 HydrophobicContact CD1-CD1 4.23Å; I118-L134 HydrophobicContact CD1-CD2 3.77Å; I118-L134 HydrophobicContact CD1-CG 4.27Å; I130-L134 HydrophobicContact CG2-CD1 3.9Å; I130-L134 HydrophobicContact CG2-CG 4.33Å; I130-L134 WeakPolarHBondContact O-CB 3.45Å; I130-L134 WeakPolarHBondContact O-CG 3.13Å; I130-L134 PolarHBondContact O-N 3.24Å; L134-Q136 VanDerWaalsContact C-N 3.32Å; L134-Q136 PolarHBondContact O-N 3.11Å; L134-W137 PolarHBondContact O-N 3.23Å; L134-W137 VanDerWaalsContact O-N 3.14Å; L134-F138 HydrophobicContact CB-CE2 3.86Å; L134-F138 HydrophobicContact CB-CZ 3.99Å; L134-F138 HydrophobicContact CD2-CE1 4.44Å; L134-F138 HydrophobicContact CD2-CZ 4.09Å; L134-F138 HydrophobicContact CG-CZ 4.47Å; L134-F138 WeakPolarHBondContact O-CD2 3.32Å; L134-F138 WeakPolarHBondContact O-CG 3.2Å; L134-F138 PolarHBondContact O-N 2.94Å; L134-V148 HydrophobicContact CD2-CG1 4.35Å; L134-V148 HydrophobicContact CD2-CG2 4.27Å; L134-V150 HydrophobicContact CD1-CG2 4.1Å; L134-L177 HydrophobicContact CD1-CD1 4.46Å |
| 135 | Q | 97.4 | Very high | 94 | Very high | 79 Ų | 79 | 44.8 Ų | 44.8 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 177 | -72.6 | -64 | -36.3 | 0 | 0 | 112.4 | G131 E132 A139 K176 | G131-Q135 WeakPolarHBondContact O-CB 3.47Å; G131-Q135 WeakPolarHBondContact O-CG 3.49Å; G131-Q135 PolarHBondContact O-N 3.2Å; E132-Q135 PolarHBondContact O-N 2.87Å; Q135-A139 VanDerWaalsContact O-CB 3.24Å; Q135-A139 WeakPolarHBondContact O-CB 3.49Å; Q135-A139 PolarHBondContact O-N 2.79Å; Q135-K176 HydrophobicContact CG-CB 3.73Å; Q135-K176 HydrophobicContact CG-CD 3.75Å; Q135-K176 HydrophobicContact CG-CG 4.35Å; Q135-K176 PolarHBondContact NE2-O 3.04Å |
| 136 | Q | 95.8 | Very high | 94.5 | Very high | 95 Ų | 95 | 46.6 Ų | 46.6 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 174.4 | -71.8 | 171.5 | 8.7 | 0 | 0 | 112 | E132 V133 L134 A139 S140 | E132-Q136 WeakPolarHBondContact O-CG 3.43Å; E132-Q136 PolarHBondContact O-N 3.32Å; E132-Q136 VanDerWaalsContact O-N 3.07Å; V133-Q136 PolarHBondContact O-N 3.18Å; L134-Q136 VanDerWaalsContact C-N 3.32Å; L134-Q136 PolarHBondContact O-N 3.11Å; Q136-A139 PolarHBondContact O-N 3.1Å; Q136-S140 WeakPolarHBondContact O-CB 3.46Å; Q136-S140 PolarHBondContact O-N 2.89Å |
| 137 | W | 95.4 | Very high | 94.5 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 8% | 0.076 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 178.4 | -171.3 | 72.5 | 0 | 0 | 0 | 111.4 | L111 V133 L134 S140 A142 G143 D147 V148 | L111-W137 HydrophobicContact CD1-CB 4.02Å; L111-W137 HydrophobicContact CD1-CD2 4.01Å; L111-W137 HydrophobicContact CD1-CG 3.73Å; L111-W137 HydrophobicContact CD2-CD2 4.3Å; L111-W137 HydrophobicContact CD2-CE3 4.44Å; L111-W137 HydrophobicContact CD2-CH2 4.49Å; L111-W137 HydrophobicContact CD2-CZ2 4.36Å; V133-W137 WeakPolarHBondContact O-CB 3.07Å; V133-W137 PolarHBondContact O-N 3.29Å; L134-W137 PolarHBondContact O-N 3.23Å; L134-W137 VanDerWaalsContact O-N 3.14Å; W137-S140 PolarHBondContact O-N 2.98Å; W137-S140 PolarHBondContact O-OG 3.25Å; W137-A142 HydrophobicContact CG-CB 4.36Å; W137-A142 WeakPolarHBondContact CZ2-O 3.49Å; W137-G143 VanDerWaalsContact CH2-CA 3.44Å; W137-D147 HydrophobicContact CH2-CB 4.16Å; W137-D147 HydrophobicContact CZ3-CB 4.45Å; W137-V148 HydrophobicContact CE3-CG1 4.47Å; W137-V148 HydrophobicContact CH2-CG1 4.12Å; W137-V148 HydrophobicContact CZ3-CG1 3.71Å |
| 138 | F | 96.8 | Very high | 94.3 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 18% | 0.18 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 173.6 | -56.4 | -33.2 | 0 | 0 | 0 | 111.9 | L134 S140 G141 G143 K144 R145 V148 L177 | L134-F138 HydrophobicContact CB-CE2 3.86Å; L134-F138 HydrophobicContact CB-CZ 3.99Å; L134-F138 HydrophobicContact CD2-CE1 4.44Å; L134-F138 HydrophobicContact CD2-CZ 4.09Å; L134-F138 HydrophobicContact CG-CZ 4.47Å; L134-F138 WeakPolarHBondContact O-CD2 3.32Å; L134-F138 WeakPolarHBondContact O-CG 3.2Å; L134-F138 PolarHBondContact O-N 2.94Å; F138-S140 PolarHBondContact O-N 2.75Å; F138-G141 PolarHBondContact O-N 2.94Å; F138-G141 VanDerWaalsContact O-N 3.09Å; F138-G143 WeakPolarHBondContact CA-O 3.37Å; F138-K144 VanDerWaalsContact CE1-O 3.3Å; F138-K144 WeakPolarHBondContact CE1-O 3.4Å; F138-R145 HydrophobicContact CZ-CB 4.22Å; F138-V148 HydrophobicContact CE1-CG2 4.23Å; F138-V148 HydrophobicContact CZ-CG2 4.03Å; F138-L177 HydrophobicContact CE2-CD2 4.18Å |
| 139 | A | 97.1 | Very high | 94.2 | Very high | 91 Ų | 91 | 49.7 Ų | 49.7 | 75% | 0.752 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64 | -28.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q135 Q136 G141 | Q135-A139 VanDerWaalsContact O-CB 3.24Å; Q135-A139 WeakPolarHBondContact O-CB 3.49Å; Q135-A139 PolarHBondContact O-N 2.79Å; Q136-A139 PolarHBondContact O-N 3.1Å; A139-G141 VanDerWaalsContact C-N 3.27Å; A139-G141 PolarHBondContact O-N 2.99Å |
| 140 | S | 96.1 | Very high | 94.5 | Very high | 81 Ų | 81 | 49.5 Ų | 49.5 | 57% | 0.566 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -14.8 | 176.2 | 75.6 | 0 | 0 | 0 | 0 | 114.1 | Q136 W137 F138 A142 | Q136-S140 WeakPolarHBondContact O-CB 3.46Å; Q136-S140 PolarHBondContact O-N 2.89Å; W137-S140 PolarHBondContact O-N 2.98Å; W137-S140 PolarHBondContact O-OG 3.25Å; F138-S140 PolarHBondContact O-N 2.75Å; S140-A142 VanDerWaalsContact C-N 3.26Å; S140-A142 PolarHBondContact O-N 3.07Å; S140-A142 VanDerWaalsContact OG-CB 3.32Å; S140-A142 WeakPolarHBondContact OG-CB 3.23Å; S140-A142 PolarHBondContact OG-N 3.36Å |
| 141 | G | 95.3 | Very high | 94.7 | Very high | 65 Ų | 65 | 49.3 Ų | 49.3 | 67% | 0.67 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 4.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | F138 A139 G143 | F138-G141 PolarHBondContact O-N 2.94Å; F138-G141 VanDerWaalsContact O-N 3.09Å; A139-G141 VanDerWaalsContact C-N 3.27Å; A139-G141 PolarHBondContact O-N 2.99Å; G141-G143 PolarHBondContact O-N 3.46Å |
| 142 | A | 93 | Very high | 94.7 | Very high | 59 Ų | 59 | 49.3 Ų | 49.3 | 49% | 0.488 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -69.9 | -16.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | W137 S140 | W137-A142 HydrophobicContact CG-CB 4.36Å; W137-A142 WeakPolarHBondContact CZ2-O 3.49Å; S140-A142 VanDerWaalsContact C-N 3.26Å; S140-A142 PolarHBondContact O-N 3.07Å; S140-A142 VanDerWaalsContact OG-CB 3.32Å; S140-A142 WeakPolarHBondContact OG-CB 3.23Å; S140-A142 PolarHBondContact OG-N 3.36Å |
| 143 | G | 92 | Very high | 94.7 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | trans | 178.7 | -173.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W137 F138 G141 D147 | W137-G143 VanDerWaalsContact CH2-CA 3.44Å; F138-G143 WeakPolarHBondContact CA-O 3.37Å; G141-G143 PolarHBondContact O-N 3.46Å; G143-D147 WeakPolarHBondContact CA-OD2 3.33Å | ||
| 144 | K | 95.5 | Very high | 94.8 | Very high | 125 Ų | 125 | 46.6 Ų | 46.6 | 54% | 0.543 | 27% | 0.269 | S | S | . | . | trans | -127.3 | 168.7 | -170.2 | -57.1 | 179.9 | -175.4 | 173.9 | 0 | 112 | F138 E146 D147 | F138-K144 VanDerWaalsContact CE1-O 3.3Å; F138-K144 WeakPolarHBondContact CE1-O 3.4Å; K144-E146 VanDerWaalsContact C-N 3.29Å; K144-E146 HydrophobicContact CB-CG 4.19Å; K144-E146 WeakPolarHBondContact CB-OE2 3.32Å; K144-E146 VanDerWaalsContact CD-OE1 3.24Å; K144-E146 WeakPolarHBondContact CD-OE1 3.33Å; K144-E146 PolarHBondContact O-N 3.4Å; K144-D147 PolarHBondContact N-OD2 3Å; K144-D147 WeakPolarHBondContact O-CB 3.46Å; K144-D147 PolarHBondContact O-N 3.07Å | ||
| 145 | R | 96.8 | Very high | 94.5 | Very high | 34 Ų | 34 | 46.6 Ų | 46.6 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -60 | -41.4 | 180 | 173 | 56.1 | -172.1 | 95.3 | -6.6 | 111.8 | F138 D147 V148 Y179 D181 | F138-R145 HydrophobicContact CZ-CB 4.22Å; R145-D147 PolarHBondContact O-N 3.12Å; R145-V148 PolarHBondContact NH1-O 2.78Å; R145-V148 WeakPolarHBondContact O-CG2 3.38Å; R145-V148 PolarHBondContact O-N 2.79Å; R145-Y179 HydrophobicContact CG-CE1 3.98Å; R145-Y179 PolarHBondContact NH2-O 2.9Å; R145-D181 IonicContact CZ-OD2 2.74Å; R145-D181 VanDerWaalsContact CZ-OD2 3.29Å; R145-D181 IonicContact NH1-OD1 2.91Å; R145-D181 IonicContact NH1-OD2 3.71Å; R145-D181 PolarHBondContact NH1-OD2 2.92Å; R145-D181 IonicContact NH2-OD1 2.94Å; R145-D181 IonicContact NH2-OD2 3.64Å; R145-D181 PolarHBondContact NH2-OD2 2.75Å |
| 146 | E | 94.1 | Very high | 93.8 | Very high | 129 Ų | 129 | 49.6 Ų | 49.6 | 60% | 0.603 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -68.1 | -14.1 | 177.9 | 59.4 | -92.3 | -147.8 | 0 | 0 | 113.9 | K144 | K144-E146 VanDerWaalsContact C-N 3.29Å; K144-E146 HydrophobicContact CB-CG 4.19Å; K144-E146 WeakPolarHBondContact CB-OE2 3.32Å; K144-E146 VanDerWaalsContact CD-OE1 3.24Å; K144-E146 WeakPolarHBondContact CD-OE1 3.33Å; K144-E146 PolarHBondContact O-N 3.4Å |
| 147 | D | 87.8 | Confident | 93.2 | Very high | 71 Ų | 71 | 49.5 Ų | 49.5 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -81 | -16.9 | 177.3 | -60.2 | -29.9 | 0 | 0 | 0 | 112.2 | R116 W137 G143 K144 R145 | R116-D147 WeakPolarHBondContact CB-O 3.48Å; R116-D147 WeakPolarHBondContact CD-O 3.11Å; R116-D147 WeakPolarHBondContact CG-O 3.32Å; W137-D147 HydrophobicContact CH2-CB 4.16Å; W137-D147 HydrophobicContact CZ3-CB 4.45Å; G143-D147 WeakPolarHBondContact CA-OD2 3.33Å; K144-D147 PolarHBondContact N-OD2 3Å; K144-D147 WeakPolarHBondContact O-CB 3.46Å; K144-D147 PolarHBondContact O-N 3.07Å; R145-D147 PolarHBondContact O-N 3.12Å |
| 148 | V | 88.5 | Confident | 92.6 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | trans | -114.3 | 141.1 | -175.8 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | L111 R116 L134 W137 F138 R145 V150 | L111-V148 HydrophobicContact CD2-CG1 4.04Å; R116-V148 CarbonylContact O-C 3.44Å; R116-V148 VanDerWaalsContact O-CA 3.27Å; R116-V148 WeakPolarHBondContact O-CA 3.13Å; L134-V148 HydrophobicContact CD2-CG1 4.35Å; L134-V148 HydrophobicContact CD2-CG2 4.27Å; W137-V148 HydrophobicContact CE3-CG1 4.47Å; W137-V148 HydrophobicContact CH2-CG1 4.12Å; W137-V148 HydrophobicContact CZ3-CG1 3.71Å; F138-V148 HydrophobicContact CE1-CG2 4.23Å; F138-V148 HydrophobicContact CZ-CG2 4.03Å; R145-V148 PolarHBondContact NH1-O 2.78Å; R145-V148 WeakPolarHBondContact O-CG2 3.38Å; R145-V148 PolarHBondContact O-N 2.79Å; V148-V150 HydrophobicContact CG2-CG2 4.13Å | ||
| 149 | F | 91.7 | Very high | 91.5 | Very high | 70 Ų | 70 | 48 Ų | 48 | 31% | 0.307 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 106.5 | 173.5 | -165.5 | -79.1 | 0 | 0 | 0 | 109.9 | R116 H117 I118 V151 D181 L182 | R116-F149 PolarHBondContact O-N 2.94Å; H117-F149 CarbonylContact C-O 3.46Å; H117-F149 WeakPolarHBondContact CA-O 3.42Å; H117-F149 HydrophobicContact CB-CB 4.38Å; H117-F149 AromaticContact CE1-CD1 3.25Å; H117-F149 WeakPolarHBondContact CE1-CD1 3.4Å; H117-F149 AromaticContact CE1-CE1 3.53Å; H117-F149 AromaticContact CG-CD1 3.96Å; H117-F149 AromaticContact ND1-CD1 3.27Å; H117-F149 VanDerWaalsContact ND1-CD1 3.27Å; H117-F149 WeakPolarHBondContact ND1-CD1 3.07Å; H117-F149 AromaticContact ND1-CE1 3.95Å; H117-F149 AromaticContact ND1-CG 3.77Å; H117-F149 AromaticContact NE2-CD1 3.89Å; I118-F149 PolarHBondContact N-O 3.46Å; F149-V151 HydrophobicContact CD1-CG2 3.76Å; F149-V151 HydrophobicContact CE1-CG2 3.62Å; F149-D181 WeakPolarHBondContact CA-OD2 3.43Å; F149-D181 HydrophobicContact CB-CB 4.45Å; F149-D181 HydrophobicContact CD1-CB 3.81Å; F149-D181 HydrophobicContact CD2-CB 3.52Å; F149-D181 HydrophobicContact CE1-CB 3.86Å; F149-D181 HydrophobicContact CE2-CB 3.56Å; F149-D181 HydrophobicContact CG-CB 3.65Å; F149-D181 HydrophobicContact CZ-CB 3.73Å; F149-L182 HydrophobicContact CE1-CB 3.64Å; F149-L182 HydrophobicContact CE1-CD2 4.22Å; F149-L182 HydrophobicContact CZ-CB 3.84Å |
| 150 | V | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.7 | -176.5 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | L134 V148 L175 L177 V180 D181 L182 | L134-V150 HydrophobicContact CD1-CG2 4.1Å; V148-V150 HydrophobicContact CG2-CG2 4.13Å; V150-L175 HydrophobicContact CG1-CD1 4.14Å; V150-L175 HydrophobicContact CG1-CD2 4.35Å; V150-L177 HydrophobicContact CB-CD1 4.11Å; V150-L177 HydrophobicContact CG1-CD1 4.02Å; V150-L177 HydrophobicContact CG2-CD1 3.94Å; V150-V180 HydrophobicContact CG1-CG1 4.34Å; V150-D181 PolarHBondContact N-OD2 3.2Å; V150-D181 PolarHBondContact O-N 3.14Å; V150-L182 PolarHBondContact O-N 3.36Å |
| 151 | V | 97 | Very high | 90.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132.3 | 175.9 | -169.6 | 0 | 0 | 0 | 0 | 110.1 | H117 I118 T120 F149 L182 L184 | H117-V151 WeakPolarHBondContact NE2-CG2 3.19Å; I118-V151 PolarHBondContact O-N 3.38Å; T120-V151 VanDerWaalsContact CG2-O 3.23Å; T120-V151 WeakPolarHBondContact CG2-O 3.34Å; T120-V151 PolarHBondContact N-O 3.3Å; F149-V151 HydrophobicContact CD1-CG2 3.76Å; F149-V151 HydrophobicContact CE1-CG2 3.62Å; V151-L182 VanDerWaalsContact CA-O 3.32Å; V151-L182 WeakPolarHBondContact CA-O 3.38Å; V151-L182 HydrophobicContact CB-CB 4.41Å; V151-L182 HydrophobicContact CG1-CB 4.07Å; V151-L182 HydrophobicContact CG1-CD2 4Å; V151-L182 HydrophobicContact CG1-CG 3.99Å; V151-L182 HydrophobicContact CG2-CB 3.96Å; V151-L182 HydrophobicContact CG2-CD2 4.12Å; V151-L182 HydrophobicContact CG2-CG 4.49Å; V151-L184 HydrophobicContact CG1-CD1 3.8Å; V151-L184 HydrophobicContact CG1-CG 3.99Å |
| 152 | T | 97.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 171.6 | 164 | -168.2 | 0 | 0 | 0 | 0 | 111.1 | T120 A121 H122 E127 L168 L175 V180 L182 Y183 L184 | T120-T152 WeakPolarHBondContact O-CA 3.28Å; A121-T152 WeakPolarHBondContact CA-OG1 3.37Å; H122-T152 PolarHBondContact N-OG1 3.45Å; E127-T152 WeakPolarHBondContact OE1-CB 3.49Å; E127-T152 PolarHBondContact OE1-OG1 3.01Å; T152-L168 HydrophobicContact CG2-CD1 4.19Å; T152-L175 HydrophobicContact CG2-CD1 4.37Å; T152-V180 HydrophobicContact CG2-CG1 3.96Å; T152-V180 HydrophobicContact CG2-CG2 4.32Å; T152-L182 PolarHBondContact N-O 2.91Å; T152-L182 VanDerWaalsContact N-O 3.14Å; T152-Y183 HydrophobicContact CG2-CD2 3.68Å; T152-Y183 HydrophobicContact CG2-CE2 3.86Å; T152-Y183 WeakPolarHBondContact O-CA 3.46Å; T152-Y183 WeakPolarHBondContact O-CD2 3.24Å; T152-L184 PolarHBondContact O-N 3.11Å |
| 153 | K | 96 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 133.6 | -169.6 | -40.3 | -176.6 | 179.7 | 69 | 0 | 112.1 | D119 T120 A121 H122 Y124 L184 H186 | D119-K153 IonicContact OD1-NZ 2.77Å; D119-K153 PolarHBondContact OD1-NZ 3.32Å; D119-K153 IonicContact OD2-NZ 2.73Å; D119-K153 PolarHBondContact OD2-NZ 3.15Å; T120-K153 WeakPolarHBondContact O-CG 3.18Å; T120-K153 PolarHBondContact O-NZ 3.09Å; A121-K153 HydrophobicContact CB-CB 3.79Å; A121-K153 HydrophobicContact CB-CD 3.97Å; A121-K153 HydrophobicContact CB-CG 3.79Å; H122-K153 PolarHBondContact N-O 3.35Å; Y124-K153 PolarHBondContact OH-NZ 3.44Å; K153-L184 CarbonylContact C-O 3.52Å; K153-L184 WeakPolarHBondContact CA-O 3.33Å; K153-L184 HydrophobicContact CB-CB 4.35Å; K153-L184 HydrophobicContact CD-CD1 4.42Å; K153-L184 HydrophobicContact CG-CB 4.06Å; K153-L184 HydrophobicContact CG-CD1 4.38Å; K153-H186 HydrophobicContact CB-CB 3.71Å; K153-H186 HydrophobicContact CD-CB 4.32Å; K153-H186 VanDerWaalsContact CD-CD2 3.41Å; K153-H186 WeakPolarHBondContact CD-CD2 3.48Å |
| 154 | L | 95.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 125.2 | 173.5 | -179.5 | 72.7 | 0 | 0 | 0 | 110.4 | S158 V164 Y183 L184 V185 H186 M201 | L154-S158 WeakPolarHBondContact CD1-O 3.44Å; L154-S158 WeakPolarHBondContact CD2-O 3.43Å; L154-V164 HydrophobicContact CD1-CB 4.22Å; L154-V164 HydrophobicContact CD1-CG1 4.16Å; L154-V164 HydrophobicContact CD1-CG2 4.16Å; L154-V164 HydrophobicContact CD2-CG1 4.41Å; L154-V164 HydrophobicContact CD2-CG2 3.92Å; L154-Y183 WeakPolarHBondContact CA-OH 3.46Å; L154-Y183 HydrophobicContact CB-CE1 4.07Å; L154-Y183 HydrophobicContact CB-CE2 4.26Å; L154-Y183 WeakPolarHBondContact CB-OH 3.38Å; L154-Y183 HydrophobicContact CD1-CE1 4.25Å; L154-Y183 WeakPolarHBondContact CD1-OH 3.22Å; L154-L184 PolarHBondContact N-O 2.97Å; L154-V185 HydrophobicContact CD2-CG2 4.27Å; L154-H186 WeakPolarHBondContact O-CB 3.47Å; L154-H186 PolarHBondContact O-N 3.29Å; L154-M201 HydrophobicContact CD2-SD 4.31Å |
| 155 | P | 89.9 | Confident | 90.7 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | trans | -67.4 | 149.4 | 176.8 | 28.1 | -33.4 | 0 | 0 | 0 | 111.7 | H122 Y123 H157 S158 S167 | H122-P155 HydrophobicContact CB-CB 4.47Å; H122-P155 HydrophobicContact CB-CG 4.29Å; Y123-P155 HydrophobicContact CD2-CB 4Å; Y123-P155 VanDerWaalsContact CE2-CA 3.43Å; Y123-P155 HydrophobicContact CE2-CB 3.34Å; P155-H157 PolarHBondContact O-N 2.89Å; P155-H157 VanDerWaalsContact O-N 3.07Å; P155-S158 PolarHBondContact O-N 2.81Å; P155-S167 WeakPolarHBondContact CD-OG 3.36Å; P155-S167 WeakPolarHBondContact CG-OG 3.41Å | ||
| 156 | W | 83 | Confident | 90.7 | Very high | 141 Ų | 141 | 53.5 Ų | 53.5 | 53% | 0.534 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.7 | -171.6 | 63.7 | -103.2 | 0 | 0 | 0 | 113.8 | Y123 R159 T187 Q189 | Y123-W156 AromaticContact CE2-CD1 3.26Å; Y123-W156 HydrophobicContact CE2-CG 4.11Å; Y123-W156 AromaticContact CE2-NE1 3.8Å; Y123-W156 AromaticContact CZ-CD1 3.29Å; Y123-W156 AromaticContact CZ-NE1 3.31Å; Y123-W156 VanDerWaalsContact CZ-NE1 3.31Å; Y123-W156 PolarHBondContact OH-NE1 2.84Å; W156-R159 PolarHBondContact O-NE 3.37Å; W156-T187 HydrophobicContact CB-CG2 3.91Å; W156-Q189 PolarHBondContact O-NE2 3.42Å |
| 157 | H | 83.4 | Confident | 90.8 | Very high | 94 Ų | 94 | 47.4 Ų | 47.4 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -13.9 | 177.5 | 56.1 | 58.2 | 0 | 0 | 0 | 114.4 | Y123 P155 R159 | Y123-H157 PolarHBondContact OH-CD2 3.45Å; Y123-H157 PolarHBondContact OH-NE2 2.78Å; P155-H157 PolarHBondContact O-N 2.89Å; P155-H157 VanDerWaalsContact O-N 3.07Å; H157-R159 PolarHBondContact O-N 3.22Å |
| 158 | S | 83.7 | Confident | 91.3 | Very high | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.049 | 18% | 0.184 | C | C | . | . | trans | -99.1 | 83 | -175.1 | -63.7 | 0 | 0 | 0 | 0 | 111 | L154 P155 | L154-S158 WeakPolarHBondContact CD1-O 3.44Å; L154-S158 WeakPolarHBondContact CD2-O 3.43Å; P155-S158 PolarHBondContact O-N 2.81Å | ||
| 159 | R | 72.8 | Confident | 91.8 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | trans | -121.3 | -9.6 | -169 | -62.9 | -164.6 | 179.3 | -143.4 | -4.8 | 115.5 | W156 H157 E163 T187 Q189 T196 F197 | W156-R159 PolarHBondContact O-NE 3.37Å; H157-R159 PolarHBondContact O-N 3.22Å; R159-E163 PolarHBondContact N-OE2 3.36Å; R159-T187 PolarHBondContact NH2-O 2.79Å; R159-Q189 VanDerWaalsContact CD-CD 3.44Å; R159-Q189 VanDerWaalsContact CD-NE2 3.29Å; R159-Q189 VanDerWaalsContact CD-OE1 3.3Å; R159-Q189 VanDerWaalsContact CZ-NE2 3.29Å; R159-Q189 VanDerWaalsContact NH2-CG 3.26Å; R159-T196 PolarHBondContact O-OG1 2.67Å; R159-F197 PolarHBondContact O-N 2.81Å | ||
| 160 | R | 87.1 | Confident | 92.1 | Very high | 152 Ų | 152 | 49.5 Ų | 49.5 | 57% | 0.574 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -76.9 | 150.6 | 169.4 | -53.8 | 168.5 | 56.1 | 111.4 | 1.4 | 108.5 | D162 E163 V164 | R160-D162 WeakPolarHBondContact CB-OD1 3.16Å; R160-D162 IonicContact NE-OD1 3.29Å; R160-D162 PolarHBondContact O-N 3.49Å; R160-E163 HydrophobicContact CB-CB 4.38Å; R160-E163 HydrophobicContact CB-CG 3.84Å; R160-E163 WeakPolarHBondContact CB-OE2 3.5Å; R160-E163 WeakPolarHBondContact CD-OE1 3.41Å; R160-E163 HydrophobicContact CG-CG 4.35Å; R160-E163 WeakPolarHBondContact CG-OE2 3.37Å; R160-E163 PolarHBondContact N-OE2 2.84Å; R160-E163 WeakPolarHBondContact O-CB 3.13Å; R160-E163 PolarHBondContact O-N 3.37Å; R160-V164 PolarHBondContact O-N 3.04Å; R160-V164 VanDerWaalsContact O-N 3.15Å |
| 161 | R | 90.7 | Very high | 92.2 | Very high | 127 Ų | 127 | 49.5 Ų | 49.5 | 48% | 0.479 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -52.4 | -41.7 | -175.5 | -173.9 | 175.5 | -177.5 | -173 | -3.4 | 112.1 | D203 | R161-D203 IonicContact CZ-OD1 3.25Å; R161-D203 IonicContact CZ-OD2 3.6Å; R161-D203 VanDerWaalsContact CZ-OD2 3.23Å; R161-D203 IonicContact NE-OD1 3.47Å; R161-D203 IonicContact NE-OD2 2.7Å; R161-D203 PolarHBondContact NE-OD2 3.36Å; R161-D203 VanDerWaalsContact NH2-CG 3.28Å; R161-D203 IonicContact NH2-OD1 2.67Å; R161-D203 PolarHBondContact NH2-OD1 2.84Å; R161-D203 IonicContact NH2-OD2 2.58Å; R161-D203 PolarHBondContact NH2-OD2 3.21Å |
| 162 | D | 91.1 | Very high | 92.3 | Very high | 94 Ų | 94 | 50 Ų | 50 | 50% | 0.503 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.9 | -33.4 | 176.7 | 56.7 | -53.5 | 0 | 0 | 0 | 113.7 | R160 R166 | R160-D162 WeakPolarHBondContact CB-OD1 3.16Å; R160-D162 IonicContact NE-OD1 3.29Å; R160-D162 PolarHBondContact O-N 3.49Å; D162-R166 PolarHBondContact O-N 3.3Å |
| 163 | E | 93.5 | Very high | 92.4 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 17% | 0.173 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.9 | -30.5 | 178.9 | -61.1 | 176 | 151.1 | 0 | 0 | 112.7 | R159 R160 R166 S167 | R159-E163 PolarHBondContact N-OE2 3.36Å; R160-E163 HydrophobicContact CB-CB 4.38Å; R160-E163 HydrophobicContact CB-CG 3.84Å; R160-E163 WeakPolarHBondContact CB-OE2 3.5Å; R160-E163 WeakPolarHBondContact CD-OE1 3.41Å; R160-E163 HydrophobicContact CG-CG 4.35Å; R160-E163 WeakPolarHBondContact CG-OE2 3.37Å; R160-E163 PolarHBondContact N-OE2 2.84Å; R160-E163 WeakPolarHBondContact O-CB 3.13Å; R160-E163 PolarHBondContact O-N 3.37Å; E163-R166 IonicContact OE1-NH2 3.86Å; E163-S167 VanDerWaalsContact O-CB 3.23Å; E163-S167 WeakPolarHBondContact O-CB 3.09Å; E163-S167 PolarHBondContact O-N 2.9Å |
| 164 | V | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -50.6 | 176.7 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | L154 R160 S167 L168 Y183 F197 M201 V204 | L154-V164 HydrophobicContact CD1-CB 4.22Å; L154-V164 HydrophobicContact CD1-CG1 4.16Å; L154-V164 HydrophobicContact CD1-CG2 4.16Å; L154-V164 HydrophobicContact CD2-CG1 4.41Å; L154-V164 HydrophobicContact CD2-CG2 3.92Å; R160-V164 PolarHBondContact O-N 3.04Å; R160-V164 VanDerWaalsContact O-N 3.15Å; V164-S167 PolarHBondContact O-N 3.05Å; V164-L168 PolarHBondContact O-N 3.38Å; V164-Y183 HydrophobicContact CG1-CE1 4.02Å; V164-F197 HydrophobicContact CG2-CB 4.3Å; V164-M201 HydrophobicContact CG1-CG 4.43Å; V164-M201 HydrophobicContact CG1-SD 3.77Å; V164-V204 HydrophobicContact CG1-CG1 4.35Å |
| 165 | E | 95.7 | Very high | 92.6 | Very high | 37 Ų | 37 | 57 Ų | 57 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.1 | -44.9 | 179.2 | -179.8 | 176.5 | 163.4 | 0 | 0 | 112.2 | S167 L168 K169 V204 K207 L209 | E165-S167 VanDerWaalsContact C-N 3.29Å; E165-S167 PolarHBondContact O-N 2.9Å; E165-L168 PolarHBondContact O-N 2.85Å; E165-K169 HydrophobicContact CG-CD 4.1Å; E165-K169 WeakPolarHBondContact O-CB 3.26Å; E165-K169 WeakPolarHBondContact O-CG 2.98Å; E165-K169 PolarHBondContact O-N 3.09Å; E165-K169 WeakPolarHBondContact OE1-CE 3.46Å; E165-K169 IonicContact OE1-NZ 3.87Å; E165-K169 PolarHBondContact OE1-NZ 3.03Å; E165-V204 HydrophobicContact CB-CG1 3.87Å; E165-V204 HydrophobicContact CG-CG1 4.23Å; E165-K207 IonicContact OE1-NZ 3.45Å; E165-K207 PolarHBondContact OE1-NZ 3.1Å; E165-K207 IonicContact OE2-NZ 3.54Å; E165-K207 PolarHBondContact OE2-NZ 3.41Å; E165-L209 HydrophobicContact CG-CD1 4.11Å |
| 166 | R | 96.8 | Very high | 93 | Very high | 134 Ų | 134 | 61.9 Ų | 61.9 | 51% | 0.506 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.2 | -46.8 | 176.4 | 176.7 | 177.2 | 56.1 | 160.2 | -1.1 | 111 | D162 E163 K169 E170 | D162-R166 PolarHBondContact O-N 3.3Å; E163-R166 IonicContact OE1-NH2 3.86Å; R166-K169 PolarHBondContact O-N 2.85Å; R166-E170 WeakPolarHBondContact CG-OE1 3.29Å; R166-E170 WeakPolarHBondContact O-CG 3.09Å; R166-E170 PolarHBondContact O-N 3.32Å |
| 167 | S | 96.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.1 | -40 | -178.5 | -172.3 | 0 | 0 | 0 | 0 | 112.6 | P155 E163 V164 E165 E170 S171 | P155-S167 WeakPolarHBondContact CD-OG 3.36Å; P155-S167 WeakPolarHBondContact CG-OG 3.41Å; E163-S167 VanDerWaalsContact O-CB 3.23Å; E163-S167 WeakPolarHBondContact O-CB 3.09Å; E163-S167 PolarHBondContact O-N 2.9Å; V164-S167 PolarHBondContact O-N 3.05Å; E165-S167 VanDerWaalsContact C-N 3.29Å; E165-S167 PolarHBondContact O-N 2.9Å; S167-E170 PolarHBondContact O-N 3.29Å; S167-S171 PolarHBondContact O-N 3.37Å; S167-S171 VanDerWaalsContact O-N 3.1Å |
| 168 | L | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 174.7 | 179.6 | 57.2 | 0 | 0 | 0 | 111.5 | T152 V164 E165 E170 S171 L172 V180 Y183 V204 L209 | T152-L168 HydrophobicContact CG2-CD1 4.19Å; V164-L168 PolarHBondContact O-N 3.38Å; E165-L168 PolarHBondContact O-N 2.85Å; L168-E170 VanDerWaalsContact C-N 3.31Å; L168-E170 PolarHBondContact O-N 2.93Å; L168-S171 WeakPolarHBondContact O-CB 3.3Å; L168-S171 PolarHBondContact O-N 3.39Å; L168-L172 HydrophobicContact CD1-CD1 4.41Å; L168-L172 HydrophobicContact CD1-CG 4.17Å; L168-L172 HydrophobicContact CG-CD1 4.03Å; L168-L172 HydrophobicContact CG-CG 4.29Å; L168-L172 WeakPolarHBondContact O-CB 3.16Å; L168-L172 WeakPolarHBondContact O-CG 3.39Å; L168-L172 PolarHBondContact O-N 3.29Å; L168-V180 HydrophobicContact CD1-CG2 3.82Å; L168-Y183 HydrophobicContact CB-CD1 4.45Å; L168-Y183 HydrophobicContact CB-CE1 3.86Å; L168-Y183 HydrophobicContact CB-CE2 4.35Å; L168-Y183 HydrophobicContact CD1-CD1 4.33Å; L168-Y183 HydrophobicContact CD1-CD2 3.75Å; L168-Y183 HydrophobicContact CD1-CE1 4.38Å; L168-Y183 HydrophobicContact CD1-CE2 3.8Å; L168-Y183 HydrophobicContact CD1-CG 4.01Å; L168-Y183 HydrophobicContact CD2-CD1 4.07Å; L168-Y183 HydrophobicContact CD2-CE1 4.3Å; L168-Y183 HydrophobicContact CD2-CG 4.36Å; L168-Y183 HydrophobicContact CG-CE1 4.4Å; L168-Y183 PolarHBondContact N-OH 2.84Å; L168-V204 HydrophobicContact CD2-CB 3.7Å; L168-V204 HydrophobicContact CD2-CG1 4.02Å; L168-V204 HydrophobicContact CD2-CG2 3.93Å; L168-L209 HydrophobicContact CD2-CB 3.6Å; L168-L209 HydrophobicContact CD2-CD1 4.48Å; L168-L209 HydrophobicContact CG-CB 4.44Å |
| 169 | K | 98.2 | Very high | 95.1 | Very high | 107 Ų | 107 | 60 Ų | 60 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 176.3 | -78 | 176.1 | 167.9 | 169.8 | 0 | 112.5 | E165 R166 L172 A173 L209 | E165-K169 HydrophobicContact CG-CD 4.1Å; E165-K169 WeakPolarHBondContact O-CB 3.26Å; E165-K169 WeakPolarHBondContact O-CG 2.98Å; E165-K169 PolarHBondContact O-N 3.09Å; E165-K169 WeakPolarHBondContact OE1-CE 3.46Å; E165-K169 IonicContact OE1-NZ 3.87Å; E165-K169 PolarHBondContact OE1-NZ 3.03Å; R166-K169 PolarHBondContact O-N 2.85Å; K169-L172 PolarHBondContact O-N 3.3Å; K169-A173 WeakPolarHBondContact O-CB 3.44Å; K169-A173 PolarHBondContact O-N 3.46Å; K169-L209 HydrophobicContact CG-CD1 4.4Å |
| 170 | E | 97.9 | Very high | 96.3 | Very high | 82 Ų | 82 | 59 Ų | 59 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 173.2 | -71.6 | 167.4 | -169.9 | 0 | 0 | 112 | H122 R166 S167 L168 A173 K174 | H122-E170 IonicContact CE1-OE2 2.91Å; H122-E170 PolarHBondContact CE1-OE2 2.93Å; R166-E170 WeakPolarHBondContact CG-OE1 3.29Å; R166-E170 WeakPolarHBondContact O-CG 3.09Å; R166-E170 PolarHBondContact O-N 3.32Å; S167-E170 PolarHBondContact O-N 3.29Å; L168-E170 VanDerWaalsContact C-N 3.31Å; L168-E170 PolarHBondContact O-N 2.93Å; E170-A173 PolarHBondContact O-N 3.37Å; E170-K174 WeakPolarHBondContact O-CG 3.24Å; E170-K174 PolarHBondContact O-N 2.67Å; E170-K174 VanDerWaalsContact O-N 3.12Å |
| 171 | S | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 175 | -75.4 | 0 | 0 | 0 | 0 | 112 | E127 S167 L168 A173 K174 L175 | E127-S171 VanDerWaalsContact CD-OG 3.27Å; E127-S171 WeakPolarHBondContact OE1-CB 3.28Å; E127-S171 PolarHBondContact OE1-OG 3.38Å; E127-S171 PolarHBondContact OE2-OG 2.94Å; S167-S171 PolarHBondContact O-N 3.37Å; S167-S171 VanDerWaalsContact O-N 3.1Å; L168-S171 WeakPolarHBondContact O-CB 3.3Å; L168-S171 PolarHBondContact O-N 3.39Å; S171-A173 VanDerWaalsContact C-N 3.35Å; S171-A173 PolarHBondContact O-N 3.32Å; S171-K174 PolarHBondContact O-N 3.14Å; S171-L175 WeakPolarHBondContact O-CB 3.26Å; S171-L175 VanDerWaalsContact O-CG 3.23Å; S171-L175 WeakPolarHBondContact O-CG 3.42Å; S171-L175 PolarHBondContact O-N 2.89Å |
| 172 | L | 98.7 | Very high | 97.2 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.063 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 175.8 | -74.5 | 171.8 | 0 | 0 | 0 | 112.2 | L168 K169 K174 L175 K176 L177 Y179 V180 L209 | L168-L172 HydrophobicContact CD1-CD1 4.41Å; L168-L172 HydrophobicContact CD1-CG 4.17Å; L168-L172 HydrophobicContact CG-CD1 4.03Å; L168-L172 HydrophobicContact CG-CG 4.29Å; L168-L172 WeakPolarHBondContact O-CB 3.16Å; L168-L172 WeakPolarHBondContact O-CG 3.39Å; L168-L172 PolarHBondContact O-N 3.29Å; K169-L172 PolarHBondContact O-N 3.3Å; L172-K174 PolarHBondContact O-N 3.22Å; L172-L175 CarbonylContact O-C 3.08Å; L172-L175 PolarHBondContact O-N 3.48Å; L172-K176 WeakPolarHBondContact O-CA 3.38Å; L172-K176 PolarHBondContact O-N 3.11Å; L172-L177 WeakPolarHBondContact CB-O 3.3Å; L172-L177 HydrophobicContact CD2-CB 4.18Å; L172-L177 WeakPolarHBondContact CD2-O 3.47Å; L172-L177 PolarHBondContact O-N 3.11Å; L172-L177 VanDerWaalsContact O-N 3.07Å; L172-Y179 VanDerWaalsContact CD2-C 3.44Å; L172-V180 HydrophobicContact CD2-CG1 3.8Å; L172-L209 HydrophobicContact CD1-CB 4.2Å; L172-L209 HydrophobicContact CD1-CD2 4.13Å |
| 173 | A | 98.5 | Very high | 97.5 | Very high | 78 Ų | 78 | 42.3 Ų | 42.3 | 65% | 0.645 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -62.6 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K169 E170 S171 K176 | K169-A173 WeakPolarHBondContact O-CB 3.44Å; K169-A173 PolarHBondContact O-N 3.46Å; E170-A173 PolarHBondContact O-N 3.37Å; S171-A173 VanDerWaalsContact C-N 3.35Å; S171-A173 PolarHBondContact O-N 3.32Å; A173-K176 PolarHBondContact O-N 2.75Å |
| 174 | K | 97.7 | Very high | 97.6 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 32% | 0.317 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.1 | -46.7 | 175.3 | -69.9 | 173.1 | -175.6 | 172.6 | 0 | 111.7 | E127 D128 E170 S171 L172 K176 | E127-K174 HydrophobicContact CB-CB 3.65Å; E127-K174 HydrophobicContact CB-CD 4.19Å; E127-K174 CarbonylContact O-C 3.56Å; D128-K174 WeakPolarHBondContact CA-O 3.18Å; D128-K174 HydrophobicContact CB-CB 4.46Å; E170-K174 WeakPolarHBondContact O-CG 3.24Å; E170-K174 PolarHBondContact O-N 2.67Å; E170-K174 VanDerWaalsContact O-N 3.12Å; S171-K174 PolarHBondContact O-N 3.14Å; L172-K174 PolarHBondContact O-N 3.22Å; K174-K176 PolarHBondContact O-N 2.91Å |
| 175 | L | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.8 | -15.3 | 176.7 | -68.9 | 167.4 | 0 | 0 | 0 | 112.8 | T120 E127 I130 G131 V150 T152 S171 L172 L177 V180 | T120-L175 HydrophobicContact CG2-CD2 4.17Å; E127-L175 HydrophobicContact CB-CD2 3.96Å; E127-L175 HydrophobicContact CB-CG 4Å; E127-L175 HydrophobicContact CG-CD2 4.19Å; E127-L175 HydrophobicContact CG-CG 4.27Å; E127-L175 WeakPolarHBondContact O-CA 3.49Å; I130-L175 HydrophobicContact CB-CD2 4.09Å; I130-L175 HydrophobicContact CG2-CD2 3.78Å; G131-L175 WeakPolarHBondContact CA-O 3.37Å; V150-L175 HydrophobicContact CG1-CD1 4.14Å; V150-L175 HydrophobicContact CG1-CD2 4.35Å; T152-L175 HydrophobicContact CG2-CD1 4.37Å; S171-L175 WeakPolarHBondContact O-CB 3.26Å; S171-L175 VanDerWaalsContact O-CG 3.23Å; S171-L175 WeakPolarHBondContact O-CG 3.42Å; S171-L175 PolarHBondContact O-N 2.89Å; L172-L175 CarbonylContact O-C 3.08Å; L172-L175 PolarHBondContact O-N 3.48Å; L175-L177 VanDerWaalsContact C-N 3.29Å; L175-L177 HydrophobicContact CB-CB 4.32Å; L175-L177 HydrophobicContact CB-CD1 3.97Å; L175-L177 HydrophobicContact CB-CG 3.88Å; L175-L177 HydrophobicContact CD1-CD1 4.49Å; L175-L177 WeakPolarHBondContact O-CG 3.49Å; L175-L177 PolarHBondContact O-N 2.97Å; L175-V180 HydrophobicContact CD1-CG1 3.73Å |
| 176 | K | 98.3 | Very high | 97.5 | Very high | 102 Ų | 102 | 40.2 Ų | 40.2 | 44% | 0.443 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 45.2 | -174.2 | -50.2 | -176.7 | -178.3 | -164.8 | 0 | 111.1 | Q135 L172 A173 K174 | Q135-K176 HydrophobicContact CG-CB 3.73Å; Q135-K176 HydrophobicContact CG-CD 3.75Å; Q135-K176 HydrophobicContact CG-CG 4.35Å; Q135-K176 PolarHBondContact NE2-O 3.04Å; L172-K176 WeakPolarHBondContact O-CA 3.38Å; L172-K176 PolarHBondContact O-N 3.11Å; A173-K176 PolarHBondContact O-N 2.75Å; K174-K176 PolarHBondContact O-N 2.91Å |
| 177 | L | 98.4 | Very high | 97.1 | Very high | 14 Ų | 14 | 35 Ų | 35 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | trans | -126.6 | 150.1 | -178.6 | -60.6 | -178.7 | 0 | 0 | 0 | 110.7 | L134 F138 V150 L172 L175 | L134-L177 HydrophobicContact CD1-CD1 4.46Å; F138-L177 HydrophobicContact CE2-CD2 4.18Å; V150-L177 HydrophobicContact CB-CD1 4.11Å; V150-L177 HydrophobicContact CG1-CD1 4.02Å; V150-L177 HydrophobicContact CG2-CD1 3.94Å; L172-L177 WeakPolarHBondContact CB-O 3.3Å; L172-L177 HydrophobicContact CD2-CB 4.18Å; L172-L177 WeakPolarHBondContact CD2-O 3.47Å; L172-L177 PolarHBondContact O-N 3.11Å; L172-L177 VanDerWaalsContact O-N 3.07Å; L175-L177 VanDerWaalsContact C-N 3.29Å; L175-L177 HydrophobicContact CB-CB 4.32Å; L175-L177 HydrophobicContact CB-CD1 3.97Å; L175-L177 HydrophobicContact CB-CG 3.88Å; L175-L177 HydrophobicContact CD1-CD1 4.49Å; L175-L177 WeakPolarHBondContact O-CG 3.49Å; L175-L177 PolarHBondContact O-N 2.97Å | ||
| 178 | D | 98.3 | Very high | 96.5 | Very high | 150 Ų | 150 | 35.7 Ų | 35.7 | 80% | 0.802 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -81.3 | -24.4 | 172.7 | -59 | -46.9 | 0 | 0 | 0 | 112.6 | ||
| 179 | Y | 98.7 | Very high | 95.2 | Very high | 38 Ų | 38 | 39.1 Ų | 39.1 | 15% | 0.149 | 20% | 0.201 | C | C | . | . | trans | -150.3 | 158.1 | 176.9 | 72.3 | -86 | 0 | 0 | 0 | 111.9 | R145 L172 G208 L209 R211 | R145-Y179 HydrophobicContact CG-CE1 3.98Å; R145-Y179 PolarHBondContact NH2-O 2.9Å; L172-Y179 VanDerWaalsContact CD2-C 3.44Å; Y179-G208 WeakPolarHBondContact CB-O 3.28Å; Y179-L209 WeakPolarHBondContact CA-O 3Å; Y179-R211 HydrophobicContact CD2-CG 3.58Å; Y179-R211 HydrophobicContact CE2-CG 3.64Å | ||
| 180 | V | 98.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -108.5 | 150.3 | 164.9 | -63.7 | 0 | 0 | 0 | 0 | 110.7 | V150 T152 L168 L172 L175 L209 T210 R211 | V150-V180 HydrophobicContact CG1-CG1 4.34Å; T152-V180 HydrophobicContact CG2-CG1 3.96Å; T152-V180 HydrophobicContact CG2-CG2 4.32Å; L168-V180 HydrophobicContact CD1-CG2 3.82Å; L172-V180 HydrophobicContact CD2-CG1 3.8Å; L175-V180 HydrophobicContact CD1-CG1 3.73Å; V180-L209 PolarHBondContact N-O 3.46Å; V180-L209 VanDerWaalsContact N-O 3.15Å; V180-T210 CarbonylContact O-C 3.57Å; V180-T210 WeakPolarHBondContact O-CA 3.48Å; V180-T210 PolarHBondContact O-OG1 2.97Å; V180-R211 PolarHBondContact O-N 3.29Å |
| 181 | D | 97.9 | Very high | 91.6 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 10% | 0.096 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -73.7 | -35.9 | -177.7 | -60.4 | -82 | 0 | 0 | 0 | 111.4 | R145 F149 V150 R211 S212 | R145-D181 IonicContact CZ-OD2 2.74Å; R145-D181 VanDerWaalsContact CZ-OD2 3.29Å; R145-D181 IonicContact NH1-OD1 2.91Å; R145-D181 IonicContact NH1-OD2 3.71Å; R145-D181 PolarHBondContact NH1-OD2 2.92Å; R145-D181 IonicContact NH2-OD1 2.94Å; R145-D181 IonicContact NH2-OD2 3.64Å; R145-D181 PolarHBondContact NH2-OD2 2.75Å; F149-D181 WeakPolarHBondContact CA-OD2 3.43Å; F149-D181 HydrophobicContact CB-CB 4.45Å; F149-D181 HydrophobicContact CD1-CB 3.81Å; F149-D181 HydrophobicContact CD2-CB 3.52Å; F149-D181 HydrophobicContact CE1-CB 3.86Å; F149-D181 HydrophobicContact CE2-CB 3.56Å; F149-D181 HydrophobicContact CG-CB 3.65Å; F149-D181 HydrophobicContact CZ-CB 3.73Å; V150-D181 PolarHBondContact N-OD2 3.2Å; V150-D181 PolarHBondContact O-N 3.14Å; D181-R211 CarbonylContact O-C 3.59Å; D181-S212 WeakPolarHBondContact O-CB 3.46Å; D181-S212 PolarHBondContact O-N 2.81Å |
| 182 | L | 97.4 | Very high | 89.6 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 129.1 | 177 | 178.5 | 61.4 | 0 | 0 | 0 | 111.5 | F149 V150 V151 T152 L184 S212 N236 | F149-L182 HydrophobicContact CE1-CB 3.64Å; F149-L182 HydrophobicContact CE1-CD2 4.22Å; F149-L182 HydrophobicContact CZ-CB 3.84Å; V150-L182 PolarHBondContact O-N 3.36Å; V151-L182 VanDerWaalsContact CA-O 3.32Å; V151-L182 WeakPolarHBondContact CA-O 3.38Å; V151-L182 HydrophobicContact CB-CB 4.41Å; V151-L182 HydrophobicContact CG1-CB 4.07Å; V151-L182 HydrophobicContact CG1-CD2 4Å; V151-L182 HydrophobicContact CG1-CG 3.99Å; V151-L182 HydrophobicContact CG2-CB 3.96Å; V151-L182 HydrophobicContact CG2-CD2 4.12Å; V151-L182 HydrophobicContact CG2-CG 4.49Å; T152-L182 PolarHBondContact N-O 2.91Å; T152-L182 VanDerWaalsContact N-O 3.14Å; L182-L184 HydrophobicContact CD1-CD2 3.73Å; L182-L184 HydrophobicContact CD2-CD2 3.85Å; L182-L184 HydrophobicContact CD2-CG 4.31Å; L182-L184 HydrophobicContact CG-CD2 3.65Å; L182-L184 HydrophobicContact CG-CG 4.05Å; L182-S212 WeakPolarHBondContact CA-O 3.31Å; L182-N236 HydrophobicContact CD1-CB 4.06Å; L182-N236 HydrophobicContact CD2-CB 3.78Å |
| 183 | Y | 98 | Very high | 87.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123.1 | 171.9 | -167 | -134.7 | 0 | 0 | 0 | 111 | T152 L154 V164 L168 M201 V204 T210 S212 I213 G214 | T152-Y183 HydrophobicContact CG2-CD2 3.68Å; T152-Y183 HydrophobicContact CG2-CE2 3.86Å; T152-Y183 WeakPolarHBondContact O-CA 3.46Å; T152-Y183 WeakPolarHBondContact O-CD2 3.24Å; L154-Y183 WeakPolarHBondContact CA-OH 3.46Å; L154-Y183 HydrophobicContact CB-CE1 4.07Å; L154-Y183 HydrophobicContact CB-CE2 4.26Å; L154-Y183 WeakPolarHBondContact CB-OH 3.38Å; L154-Y183 HydrophobicContact CD1-CE1 4.25Å; L154-Y183 WeakPolarHBondContact CD1-OH 3.22Å; V164-Y183 HydrophobicContact CG1-CE1 4.02Å; L168-Y183 HydrophobicContact CB-CD1 4.45Å; L168-Y183 HydrophobicContact CB-CE1 3.86Å; L168-Y183 HydrophobicContact CB-CE2 4.35Å; L168-Y183 HydrophobicContact CD1-CD1 4.33Å; L168-Y183 HydrophobicContact CD1-CD2 3.75Å; L168-Y183 HydrophobicContact CD1-CE1 4.38Å; L168-Y183 HydrophobicContact CD1-CE2 3.8Å; L168-Y183 HydrophobicContact CD1-CG 4.01Å; L168-Y183 HydrophobicContact CD2-CD1 4.07Å; L168-Y183 HydrophobicContact CD2-CE1 4.3Å; L168-Y183 HydrophobicContact CD2-CG 4.36Å; L168-Y183 HydrophobicContact CG-CE1 4.4Å; L168-Y183 PolarHBondContact N-OH 2.84Å; Y183-M201 HydrophobicContact CD1-CE 3.53Å; Y183-M201 HydrophobicContact CD1-SD 3.6Å; Y183-M201 HydrophobicContact CE1-CE 4.27Å; Y183-M201 HydrophobicContact CE1-SD 3.8Å; Y183-M201 HydrophobicContact CG-CE 4.07Å; Y183-M201 WeakPolarHBondContact O-CE 3.42Å; Y183-V204 HydrophobicContact CD1-CG2 4.15Å; Y183-T210 PolarHBondContact N-OG1 3.49Å; Y183-S212 PolarHBondContact N-O 3.1Å; Y183-I213 WeakPolarHBondContact O-CA 3.24Å; Y183-G214 PolarHBondContact O-N 3.33Å |
| 184 | L | 96.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.2 | -175.6 | -55.1 | 177.4 | 0 | 0 | 0 | 112.3 | V151 T152 K153 L154 L182 H186 G214 N236 Q238 | V151-L184 HydrophobicContact CG1-CD1 3.8Å; V151-L184 HydrophobicContact CG1-CG 3.99Å; T152-L184 PolarHBondContact O-N 3.11Å; K153-L184 CarbonylContact C-O 3.52Å; K153-L184 WeakPolarHBondContact CA-O 3.33Å; K153-L184 HydrophobicContact CB-CB 4.35Å; K153-L184 HydrophobicContact CD-CD1 4.42Å; K153-L184 HydrophobicContact CG-CB 4.06Å; K153-L184 HydrophobicContact CG-CD1 4.38Å; L154-L184 PolarHBondContact N-O 2.97Å; L182-L184 HydrophobicContact CD1-CD2 3.73Å; L182-L184 HydrophobicContact CD2-CD2 3.85Å; L182-L184 HydrophobicContact CD2-CG 4.31Å; L182-L184 HydrophobicContact CG-CD2 3.65Å; L182-L184 HydrophobicContact CG-CG 4.05Å; L184-H186 PolarHBondContact O-N 3.29Å; L184-G214 WeakPolarHBondContact CA-O 3.24Å; L184-G214 VanDerWaalsContact CD2-C 3.42Å; L184-G214 VanDerWaalsContact CD2-CA 3.49Å; L184-N236 HydrophobicContact CD2-CB 4.39Å; L184-Q238 HydrophobicContact CD1-CB 3.8Å |
| 185 | V | 94.8 | Very high | 85.5 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 111.8 | 160 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | L154 T187 F197 M201 G214 I215 S216 F218 | L154-V185 HydrophobicContact CD2-CG2 4.27Å; V185-T187 VanDerWaalsContact C-N 3.35Å; V185-T187 PolarHBondContact O-N 3.37Å; V185-F197 HydrophobicContact CG1-CD2 4.47Å; V185-F197 HydrophobicContact CG2-CD2 3.63Å; V185-F197 HydrophobicContact CG2-CE2 3.81Å; V185-M201 HydrophobicContact CG2-CE 4.09Å; V185-M201 HydrophobicContact CG2-CG 3.93Å; V185-M201 HydrophobicContact CG2-SD 3.93Å; V185-G214 PolarHBondContact N-O 3.07Å; V185-G214 VanDerWaalsContact N-O 3.1Å; V185-I215 HydrophobicContact CB-CG2 3.96Å; V185-I215 HydrophobicContact CG2-CG2 4.26Å; V185-S216 WeakPolarHBondContact O-CA 3.34Å; V185-S216 WeakPolarHBondContact O-CB 3.49Å; V185-S216 PolarHBondContact O-N 3.29Å; V185-F218 HydrophobicContact CB-CE2 4.21Å; V185-F218 HydrophobicContact CB-CZ 4.28Å; V185-F218 HydrophobicContact CG1-CE2 4.01Å; V185-F218 HydrophobicContact CG1-CZ 3.84Å |
| 186 | H | 93.2 | Very high | 84.6 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 11% | 0.111 | 30% | 0.296 | C | S | . | . | trans | -64.6 | -32.6 | -166.5 | -158 | 162.8 | 0 | 0 | 0 | 114.4 | A121 Y123 Y124 K153 L154 L184 S216 N217 | A121-H186 VanDerWaalsContact CB-CE1 3.46Å; A121-H186 WeakPolarHBondContact CB-CE1 3.49Å; Y123-H186 AromaticContact CD2-ND1 3.92Å; Y124-H186 AromaticContact CE1-CE1 3.68Å; Y124-H186 AromaticContact CZ-CE1 3.87Å; Y124-H186 AromaticContact CZ-NE2 3.92Å; Y124-H186 PolarHBondContact OH-NE2 3.08Å; K153-H186 HydrophobicContact CB-CB 3.71Å; K153-H186 HydrophobicContact CD-CB 4.32Å; K153-H186 VanDerWaalsContact CD-CD2 3.41Å; K153-H186 WeakPolarHBondContact CD-CD2 3.48Å; L154-H186 WeakPolarHBondContact O-CB 3.47Å; L154-H186 PolarHBondContact O-N 3.29Å; L184-H186 PolarHBondContact O-N 3.29Å; H186-S216 CarbonylContact C-O 3.53Å; H186-S216 CarbonylContact O-C 3.57Å; H186-S216 WeakPolarHBondContact O-CB 3.39Å; H186-S216 VanDerWaalsContact O-O 3.09Å; H186-N217 PolarHBondContact O-ND2 2.78Å | ||
| 187 | T | 88.8 | Confident | 83.8 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 15% | 0.153 | 28% | 0.276 | C | S | . | . | trans | -156.8 | 147.3 | 176.2 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | W156 R159 V185 S216 | W156-T187 HydrophobicContact CB-CG2 3.91Å; R159-T187 PolarHBondContact NH2-O 2.79Å; V185-T187 VanDerWaalsContact C-N 3.35Å; V185-T187 PolarHBondContact O-N 3.37Å; T187-S216 VanDerWaalsContact CA-O 3.3Å; T187-S216 WeakPolarHBondContact CA-O 3.21Å | ||
| 188 | A | 83.1 | Confident | 83.4 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 12% | 0.116 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 153.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F218 Q222 | A188-F218 HydrophobicContact CB-CD1 4.14Å; A188-F218 HydrophobicContact CB-CD2 4.3Å; A188-F218 HydrophobicContact CB-CE1 3.88Å; A188-F218 HydrophobicContact CB-CE2 4.06Å; A188-F218 HydrophobicContact CB-CG 4.31Å; A188-F218 HydrophobicContact CB-CZ 3.84Å; A188-Q222 VanDerWaalsContact CB-NE2 3.28Å |
| 189 | Q | 70 | Confident | 83.1 | Confident | 72 Ų | 72 | 49.7 Ų | 49.7 | 34% | 0.336 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 156.6 | 162.5 | -100.8 | 155.2 | 11.3 | 0 | 0 | 107.9 | W156 R159 G191 | W156-Q189 PolarHBondContact O-NE2 3.42Å; R159-Q189 VanDerWaalsContact CD-CD 3.44Å; R159-Q189 VanDerWaalsContact CD-NE2 3.29Å; R159-Q189 VanDerWaalsContact CD-OE1 3.3Å; R159-Q189 VanDerWaalsContact CZ-NE2 3.29Å; R159-Q189 VanDerWaalsContact NH2-CG 3.26Å; Q189-G191 PolarHBondContact O-N 3.04Å |
| 190 | R | 62.1 | Low | 82.9 | Confident | 237 Ų | 237 | 47.9 Ų | 47.9 | 89% | 0.894 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -58.1 | 122.7 | 157.4 | -68.6 | -176.8 | 169.2 | -165 | -4.9 | 109.2 | ||
| 191 | G | 59.2 | Low | 82.8 | Confident | 60 Ų | 60 | 48.2 Ų | 48.2 | 62% | 0.619 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 114 | 179.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q189 V193 | Q189-G191 PolarHBondContact O-N 3.04Å; G191-V193 PolarHBondContact O-N 2.7Å |
| 192 | A | 56.1 | Low | 82.8 | Confident | 98 Ų | 98 | 48.3 Ų | 48.3 | 81% | 0.81 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -58.2 | 128.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R194 | A192-R194 PolarHBondContact O-N 2.58Š|
| 193 | V | 61.2 | Low | 82.8 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 13% | 0.127 | 25% | 0.254 | C | S | . | . | trans | -54.9 | 103.1 | 175.3 | 175.5 | 0 | 0 | 0 | 0 | 108.6 | G191 K195 F197 I198 Q222 N225 I226 | G191-V193 PolarHBondContact O-N 2.7Å; V193-K195 PolarHBondContact O-N 3.37Å; V193-F197 HydrophobicContact CB-CE1 4.4Å; V193-F197 HydrophobicContact CG1-CE1 3.28Å; V193-F197 HydrophobicContact CG1-CZ 3.32Å; V193-I198 HydrophobicContact CG1-CD1 4.34Å; V193-Q222 HydrophobicContact CG2-CB 4.16Å; V193-Q222 HydrophobicContact CG2-CG 4.18Å; V193-N225 WeakPolarHBondContact CB-ND2 3.33Å; V193-I226 HydrophobicContact CG1-CD1 4.46Å; V193-I226 HydrophobicContact CG1-CG1 3.95Å | ||
| 194 | R | 68.7 | Low | 82.8 | Confident | 165 Ų | 165 | 49.6 Ų | 49.6 | 62% | 0.623 | 25% | 0.254 | S | S | * | . | trans | -62.8 | 122.3 | 178.4 | -71.9 | -174.3 | 176.3 | 176.5 | -0.4 | 109 | A192 T196 F197 | A192-R194 PolarHBondContact O-N 2.58Å; R194-T196 PolarHBondContact O-N 3.25Å; R194-F197 WeakPolarHBondContact O-CD1 3.44Å; R194-F197 VanDerWaalsContact O-CE1 3.26Å; R194-F197 WeakPolarHBondContact O-CE1 3Å; R194-F197 PolarHBondContact O-N 3.24Å | ||
| 195 | K | 78.7 | Confident | 82.9 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.4 | -17.9 | -179.9 | -55.3 | -170.6 | -169.9 | -167.5 | 0 | 113.7 | V193 F197 I198 Y199 N229 | V193-K195 PolarHBondContact O-N 3.37Å; K195-F197 PolarHBondContact O-N 3.44Å; K195-I198 WeakPolarHBondContact O-CB 3.49Å; K195-I198 PolarHBondContact O-N 3.29Å; K195-I198 VanDerWaalsContact O-N 3.12Å; K195-Y199 HydrophobicContact CB-CE2 3.79Å; K195-Y199 VanDerWaalsContact O-CD2 3.3Å; K195-Y199 WeakPolarHBondContact O-CD2 2.98Å; K195-Y199 PolarHBondContact O-N 3.41Å; K195-N229 HydrophobicContact CD-CB 4.43Å; K195-N229 WeakPolarHBondContact CE-OD1 3.46Å; K195-N229 PolarHBondContact NZ-OD1 2.84Å |
| 196 | T | 79.7 | Confident | 83 | Confident | 57 Ų | 57 | 56.9 Ų | 56.9 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | -176.5 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | R159 R194 G200 | R159-T196 PolarHBondContact O-OG1 2.67Å; R194-T196 PolarHBondContact O-N 3.25Å; T196-G200 PolarHBondContact O-N 3.43Å; T196-G200 VanDerWaalsContact O-N 3.11Å |
| 197 | F | 81.6 | Confident | 83.3 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.5 | -33 | 177.2 | 79.1 | -99 | 0 | 0 | 0 | 110.9 | R159 V164 V185 V193 R194 K195 Y199 G200 M201 F218 I226 | R159-F197 PolarHBondContact O-N 2.81Å; V164-F197 HydrophobicContact CG2-CB 4.3Å; V185-F197 HydrophobicContact CG1-CD2 4.47Å; V185-F197 HydrophobicContact CG2-CD2 3.63Å; V185-F197 HydrophobicContact CG2-CE2 3.81Å; V193-F197 HydrophobicContact CB-CE1 4.4Å; V193-F197 HydrophobicContact CG1-CE1 3.28Å; V193-F197 HydrophobicContact CG1-CZ 3.32Å; R194-F197 WeakPolarHBondContact O-CD1 3.44Å; R194-F197 VanDerWaalsContact O-CE1 3.26Å; R194-F197 WeakPolarHBondContact O-CE1 3Å; R194-F197 PolarHBondContact O-N 3.24Å; K195-F197 PolarHBondContact O-N 3.44Å; F197-Y199 VanDerWaalsContact C-N 3.3Å; F197-Y199 PolarHBondContact O-N 2.82Å; F197-G200 PolarHBondContact O-N 2.95Å; F197-G200 VanDerWaalsContact O-N 3.11Å; F197-M201 HydrophobicContact CD2-CG 4.34Å; F197-M201 VanDerWaalsContact O-CG 3.25Å; F197-M201 WeakPolarHBondContact O-CG 3.17Å; F197-M201 PolarHBondContact O-N 3.32Å; F197-F218 HydrophobicContact CZ-CE1 4.35Å; F197-F218 HydrophobicContact CZ-CZ 4.48Å; F197-I226 HydrophobicContact CE2-CD1 4.44Å; F197-I226 HydrophobicContact CZ-CD1 4.15Å; F197-I226 HydrophobicContact CZ-CG1 4.38Å |
| 198 | I | 88.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.5 | -50.1 | 176.8 | -58.3 | 177.4 | 0 | 0 | 0 | 108.7 | V193 K195 G200 M201 E202 I226 N229 | V193-I198 HydrophobicContact CG1-CD1 4.34Å; K195-I198 WeakPolarHBondContact O-CB 3.49Å; K195-I198 PolarHBondContact O-N 3.29Å; K195-I198 VanDerWaalsContact O-N 3.12Å; I198-G200 VanDerWaalsContact C-N 3.34Å; I198-G200 PolarHBondContact O-N 3.18Å; I198-M201 PolarHBondContact O-N 3.39Å; I198-E202 WeakPolarHBondContact O-CG 3.46Å; I198-E202 PolarHBondContact O-N 3.13Å; I198-I226 HydrophobicContact CD1-CB 4.46Å; I198-I226 HydrophobicContact CD1-CG1 4.09Å; I198-I226 HydrophobicContact CD1-CG2 4.43Å; I198-N229 HydrophobicContact CD1-CB 4.28Å |
| 199 | Y | 92.7 | Very high | 84.4 | Confident | 90 Ų | 90 | 62.1 Ų | 62.1 | 35% | 0.353 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64 | -37.2 | 176.7 | -53.7 | -39.2 | 0 | 0 | 0 | 112.9 | K195 F197 E202 D203 | K195-Y199 HydrophobicContact CB-CE2 3.79Å; K195-Y199 VanDerWaalsContact O-CD2 3.3Å; K195-Y199 WeakPolarHBondContact O-CD2 2.98Å; K195-Y199 PolarHBondContact O-N 3.41Å; F197-Y199 VanDerWaalsContact C-N 3.3Å; F197-Y199 PolarHBondContact O-N 2.82Å; Y199-E202 PolarHBondContact O-N 3.34Å; Y199-D203 WeakPolarHBondContact O-CB 2.98Å; Y199-D203 PolarHBondContact O-N 3.09Å |
| 200 | G | 95.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -40 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | T196 F197 I198 D203 V204 | T196-G200 PolarHBondContact O-N 3.43Å; T196-G200 VanDerWaalsContact O-N 3.11Å; F197-G200 PolarHBondContact O-N 2.95Å; F197-G200 VanDerWaalsContact O-N 3.11Å; I198-G200 VanDerWaalsContact C-N 3.34Å; I198-G200 PolarHBondContact O-N 3.18Å; G200-D203 PolarHBondContact O-N 3.45Å; G200-V204 PolarHBondContact O-N 3.49Å; G200-V204 VanDerWaalsContact O-N 3.12Å |
| 201 | M | 96.3 | Very high | 87.5 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 3% | 0.034 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 176 | -64.1 | -62.1 | -71.8 | 0 | 0 | 110.8 | L154 V164 Y183 V185 F197 I198 D203 V204 F205 I213 | L154-M201 HydrophobicContact CD2-SD 4.31Å; V164-M201 HydrophobicContact CG1-CG 4.43Å; V164-M201 HydrophobicContact CG1-SD 3.77Å; Y183-M201 HydrophobicContact CD1-CE 3.53Å; Y183-M201 HydrophobicContact CD1-SD 3.6Å; Y183-M201 HydrophobicContact CE1-CE 4.27Å; Y183-M201 HydrophobicContact CE1-SD 3.8Å; Y183-M201 HydrophobicContact CG-CE 4.07Å; Y183-M201 WeakPolarHBondContact O-CE 3.42Å; V185-M201 HydrophobicContact CG2-CE 4.09Å; V185-M201 HydrophobicContact CG2-CG 3.93Å; V185-M201 HydrophobicContact CG2-SD 3.93Å; F197-M201 HydrophobicContact CD2-CG 4.34Å; F197-M201 VanDerWaalsContact O-CG 3.25Å; F197-M201 WeakPolarHBondContact O-CG 3.17Å; F197-M201 PolarHBondContact O-N 3.32Å; I198-M201 PolarHBondContact O-N 3.39Å; M201-D203 VanDerWaalsContact C-N 3.33Å; M201-D203 PolarHBondContact O-N 3.07Å; M201-V204 WeakPolarHBondContact O-CG2 3.43Å; M201-V204 PolarHBondContact O-N 3.4Å; M201-F205 WeakPolarHBondContact O-CB 3.43Å; M201-F205 PolarHBondContact O-N 3.37Å; M201-F205 VanDerWaalsContact O-N 3.07Å; M201-I213 HydrophobicContact CB-CB 4.42Å; M201-I213 HydrophobicContact CB-CD1 4Å; M201-I213 HydrophobicContact CB-CG2 4.25Å; M201-I213 HydrophobicContact CE-CB 4.01Å; M201-I213 HydrophobicContact CE-CG2 3.95Å |
| 202 | E | 96.9 | Very high | 89.3 | Confident | 21 Ų | 21 | 52.6 Ų | 52.6 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 174.5 | -71 | 177.9 | 161.3 | 0 | 0 | 112.2 | I198 Y199 F205 S206 I213 K231 V232 | I198-E202 WeakPolarHBondContact O-CG 3.46Å; I198-E202 PolarHBondContact O-N 3.13Å; Y199-E202 PolarHBondContact O-N 3.34Å; E202-F205 PolarHBondContact O-N 2.85Å; E202-S206 WeakPolarHBondContact O-CB 3.08Å; E202-S206 PolarHBondContact O-N 2.57Å; E202-S206 PolarHBondContact O-OG 2.72Å; E202-I213 HydrophobicContact CG-CD1 4.46Å; E202-K231 WeakPolarHBondContact OE1-CA 3.48Å; E202-K231 WeakPolarHBondContact OE1-CB 2.84Å; E202-K231 PolarHBondContact OE1-N 3.42Å; E202-V232 HydrophobicContact CG-CB 4.04Å; E202-V232 HydrophobicContact CG-CG2 4.11Å; E202-V232 PolarHBondContact OE1-N 3.44Å |
| 203 | D | 97.3 | Very high | 91.2 | Very high | 33 Ų | 33 | 48.4 Ų | 48.4 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -50.8 | 177.5 | -73.2 | -14.4 | 0 | 0 | 0 | 111.7 | R161 Y199 G200 M201 F205 S206 K207 | R161-D203 IonicContact CZ-OD1 3.25Å; R161-D203 IonicContact CZ-OD2 3.6Å; R161-D203 VanDerWaalsContact CZ-OD2 3.23Å; R161-D203 IonicContact NE-OD1 3.47Å; R161-D203 IonicContact NE-OD2 2.7Å; R161-D203 PolarHBondContact NE-OD2 3.36Å; R161-D203 VanDerWaalsContact NH2-CG 3.28Å; R161-D203 IonicContact NH2-OD1 2.67Å; R161-D203 PolarHBondContact NH2-OD1 2.84Å; R161-D203 IonicContact NH2-OD2 2.58Å; R161-D203 PolarHBondContact NH2-OD2 3.21Å; Y199-D203 WeakPolarHBondContact O-CB 2.98Å; Y199-D203 PolarHBondContact O-N 3.09Å; G200-D203 PolarHBondContact O-N 3.45Å; M201-D203 VanDerWaalsContact C-N 3.33Å; M201-D203 PolarHBondContact O-N 3.07Å; D203-F205 VanDerWaalsContact C-N 3.27Å; D203-F205 PolarHBondContact O-N 3.35Å; D203-S206 PolarHBondContact O-N 3.11Å; D203-S206 VanDerWaalsContact O-N 3.16Å; D203-S206 PolarHBondContact O-OG 2.86Å; D203-K207 WeakPolarHBondContact O-CB 3.23Å; D203-K207 VanDerWaalsContact O-CG 3.32Å; D203-K207 WeakPolarHBondContact O-CG 3.15Å; D203-K207 PolarHBondContact O-N 3.26Å |
| 204 | V | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -32.3 | -178.8 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | V164 E165 L168 Y183 G200 M201 G208 L209 T210 | V164-V204 HydrophobicContact CG1-CG1 4.35Å; E165-V204 HydrophobicContact CB-CG1 3.87Å; E165-V204 HydrophobicContact CG-CG1 4.23Å; L168-V204 HydrophobicContact CD2-CB 3.7Å; L168-V204 HydrophobicContact CD2-CG1 4.02Å; L168-V204 HydrophobicContact CD2-CG2 3.93Å; Y183-V204 HydrophobicContact CD1-CG2 4.15Å; G200-V204 PolarHBondContact O-N 3.49Å; G200-V204 VanDerWaalsContact O-N 3.12Å; M201-V204 WeakPolarHBondContact O-CG2 3.43Å; M201-V204 PolarHBondContact O-N 3.4Å; V204-G208 PolarHBondContact O-N 3.27Å; V204-L209 HydrophobicContact CB-CB 4.32Å; V204-L209 HydrophobicContact CB-CD1 4.35Å; V204-L209 HydrophobicContact CG1-CD1 4.2Å; V204-L209 PolarHBondContact O-N 3.11Å; V204-L209 VanDerWaalsContact O-N 3.09Å; V204-T210 HydrophobicContact CG2-CG2 4.08Å |
| 205 | F | 98.1 | Very high | 94.2 | Very high | 66 Ų | 66 | 39.9 Ų | 39.9 | 29% | 0.289 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.9 | -51 | 170.1 | 176.2 | -110.5 | 0 | 0 | 0 | 111 | M201 E202 D203 K207 G208 T210 R211 I213 V232 | M201-F205 WeakPolarHBondContact O-CB 3.43Å; M201-F205 PolarHBondContact O-N 3.37Å; M201-F205 VanDerWaalsContact O-N 3.07Å; E202-F205 PolarHBondContact O-N 2.85Å; D203-F205 VanDerWaalsContact C-N 3.27Å; D203-F205 PolarHBondContact O-N 3.35Å; F205-K207 PolarHBondContact O-N 2.86Å; F205-G208 PolarHBondContact O-N 3.39Å; F205-T210 HydrophobicContact CB-CG2 4.35Å; F205-R211 WeakPolarHBondContact CE2-O 2.94Å; F205-I213 HydrophobicContact CB-CG2 3.87Å; F205-V232 HydrophobicContact CD1-CG1 3.96Å; F205-V232 HydrophobicContact CD1-CG2 4Å; F205-V232 HydrophobicContact CE1-CG1 3.9Å; F205-V232 HydrophobicContact CE1-CG2 4.13Å; F205-V232 HydrophobicContact CZ-CG1 4.5Å |
| 206 | S | 98 | Very high | 95 | Very high | 92 Ų | 92 | 35.1 Ų | 35.1 | 64% | 0.643 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -62.5 | -29.7 | 179.9 | 73.6 | 0 | 0 | 0 | 0 | 113.6 | E202 D203 G208 | E202-S206 WeakPolarHBondContact O-CB 3.08Å; E202-S206 PolarHBondContact O-N 2.57Å; E202-S206 PolarHBondContact O-OG 2.72Å; D203-S206 PolarHBondContact O-N 3.11Å; D203-S206 VanDerWaalsContact O-N 3.16Å; D203-S206 PolarHBondContact O-OG 2.86Å; S206-G208 VanDerWaalsContact C-N 3.28Å; S206-G208 PolarHBondContact O-N 3.02Å |
| 207 | K | 98.3 | Very high | 95.7 | Very high | 113 Ų | 113 | 33.5 Ų | 33.5 | 49% | 0.491 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -5.3 | 176.3 | -71.3 | 175.4 | 179.5 | -174.9 | 0 | 113.7 | E165 D203 F205 L209 | E165-K207 IonicContact OE1-NZ 3.45Å; E165-K207 PolarHBondContact OE1-NZ 3.1Å; E165-K207 IonicContact OE2-NZ 3.54Å; E165-K207 PolarHBondContact OE2-NZ 3.41Å; D203-K207 WeakPolarHBondContact O-CB 3.23Å; D203-K207 VanDerWaalsContact O-CG 3.32Å; D203-K207 WeakPolarHBondContact O-CG 3.15Å; D203-K207 PolarHBondContact O-N 3.26Å; F205-K207 PolarHBondContact O-N 2.86Å; K207-L209 VanDerWaalsContact C-N 3.25Å; K207-L209 HydrophobicContact CB-CD1 4.48Å; K207-L209 HydrophobicContact CB-CG 4.14Å; K207-L209 PolarHBondContact O-N 3.42Å |
| 208 | G | 98.1 | Very high | 96.3 | Very high | 31 Ų | 31 | 33.5 Ų | 33.5 | 32% | 0.32 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 11 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y179 V204 F205 S206 T210 | Y179-G208 WeakPolarHBondContact CB-O 3.28Å; V204-G208 PolarHBondContact O-N 3.27Å; F205-G208 PolarHBondContact O-N 3.39Å; S206-G208 VanDerWaalsContact C-N 3.28Å; S206-G208 PolarHBondContact O-N 3.02Å; G208-T210 PolarHBondContact O-N 2.93Å |
| 209 | L | 98.5 | Very high | 96.5 | Very high | 29 Ų | 29 | 36.9 Ų | 36.9 | 15% | 0.152 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -69.6 | -19.9 | 174.4 | -59.4 | 179.5 | 0 | 0 | 0 | 111.6 | E165 L168 K169 L172 Y179 V180 V204 K207 | E165-L209 HydrophobicContact CG-CD1 4.11Å; L168-L209 HydrophobicContact CD2-CB 3.6Å; L168-L209 HydrophobicContact CD2-CD1 4.48Å; L168-L209 HydrophobicContact CG-CB 4.44Å; K169-L209 HydrophobicContact CG-CD1 4.4Å; L172-L209 HydrophobicContact CD1-CB 4.2Å; L172-L209 HydrophobicContact CD1-CD2 4.13Å; Y179-L209 WeakPolarHBondContact CA-O 3Å; V180-L209 PolarHBondContact N-O 3.46Å; V180-L209 VanDerWaalsContact N-O 3.15Å; V204-L209 HydrophobicContact CB-CB 4.32Å; V204-L209 HydrophobicContact CB-CD1 4.35Å; V204-L209 HydrophobicContact CG1-CD1 4.2Å; V204-L209 PolarHBondContact O-N 3.11Å; V204-L209 VanDerWaalsContact O-N 3.09Å; K207-L209 VanDerWaalsContact C-N 3.25Å; K207-L209 HydrophobicContact CB-CD1 4.48Å; K207-L209 HydrophobicContact CB-CG 4.14Å; K207-L209 PolarHBondContact O-N 3.42Å |
| 210 | T | 98.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -141.2 | 146.9 | 168.3 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | V180 Y183 V204 F205 G208 S212 I213 | V180-T210 CarbonylContact O-C 3.57Å; V180-T210 WeakPolarHBondContact O-CA 3.48Å; V180-T210 PolarHBondContact O-OG1 2.97Å; Y183-T210 PolarHBondContact N-OG1 3.49Å; V204-T210 HydrophobicContact CG2-CG2 4.08Å; F205-T210 HydrophobicContact CB-CG2 4.35Å; G208-T210 PolarHBondContact O-N 2.93Å; T210-S212 PolarHBondContact OG1-N 2.98Å; T210-S212 PolarHBondContact OG1-O 2.96Å; T210-I213 HydrophobicContact CG2-CG2 3.66Å |
| 211 | R | 97.4 | Very high | 96.6 | Very high | 139 Ų | 139 | 40.3 Ų | 40.3 | 53% | 0.525 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -82 | -17.7 | 176.7 | -56.9 | -61 | 179.9 | -176.7 | -1.5 | 113.5 | Y179 V180 D181 F205 | Y179-R211 HydrophobicContact CD2-CG 3.58Å; Y179-R211 HydrophobicContact CE2-CG 3.64Å; V180-R211 PolarHBondContact O-N 3.29Å; D181-R211 CarbonylContact O-C 3.59Å; F205-R211 WeakPolarHBondContact CE2-O 2.94Å |
| 212 | S | 97.2 | Very high | 96.4 | Very high | 29 Ų | 29 | 42 Ų | 42 | 20% | 0.203 | 22% | 0.22 | C | C | . | . | trans | -156.7 | 146.8 | 179.2 | -74.9 | 0 | 0 | 0 | 0 | 110.4 | D181 L182 Y183 T210 | D181-S212 WeakPolarHBondContact O-CB 3.46Å; D181-S212 PolarHBondContact O-N 2.81Å; L182-S212 WeakPolarHBondContact CA-O 3.31Å; Y183-S212 PolarHBondContact N-O 3.1Å; T210-S212 PolarHBondContact OG1-N 2.98Å; T210-S212 PolarHBondContact OG1-O 2.96Å | ||
| 213 | I | 97.4 | Very high | 96.3 | Very high | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.046 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 145.9 | 174.2 | 55.8 | 171.9 | 0 | 0 | 0 | 110.7 | Y183 M201 E202 F205 T210 V232 H235 | Y183-I213 WeakPolarHBondContact O-CA 3.24Å; M201-I213 HydrophobicContact CB-CB 4.42Å; M201-I213 HydrophobicContact CB-CD1 4Å; M201-I213 HydrophobicContact CB-CG2 4.25Å; M201-I213 HydrophobicContact CE-CB 4.01Å; M201-I213 HydrophobicContact CE-CG2 3.95Å; E202-I213 HydrophobicContact CG-CD1 4.46Å; F205-I213 HydrophobicContact CB-CG2 3.87Å; T210-I213 HydrophobicContact CG2-CG2 3.66Å; I213-V232 HydrophobicContact CD1-CB 4.03Å; I213-V232 HydrophobicContact CD1-CG1 3.8Å; I213-V232 HydrophobicContact CG1-CG1 4.06Å; I213-H235 PolarHBondContact N-ND1 3.4Å; I213-H235 PolarHBondContact O-N 3.29Å; I213-H235 PolarHBondContact O-ND1 2.93Å |
| 214 | G | 96.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | -161.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y183 L184 V185 N236 | Y183-G214 PolarHBondContact O-N 3.33Å; L184-G214 WeakPolarHBondContact CA-O 3.24Å; L184-G214 VanDerWaalsContact CD2-C 3.42Å; L184-G214 VanDerWaalsContact CD2-CA 3.49Å; V185-G214 PolarHBondContact N-O 3.07Å; V185-G214 VanDerWaalsContact N-O 3.1Å; G214-N236 VanDerWaalsContact CA-O 3.25Å; G214-N236 WeakPolarHBondContact CA-O 3.42Å |
| 215 | I | 96 | Very high | 95.9 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 150 | -162.1 | 100.1 | -168.1 | 0 | 0 | 0 | 108.9 | V185 F218 I223 I226 P234 N236 L237 Q238 | V185-I215 HydrophobicContact CB-CG2 3.96Å; V185-I215 HydrophobicContact CG2-CG2 4.26Å; I215-F218 HydrophobicContact CB-CD2 4.14Å; I215-F218 HydrophobicContact CB-CE2 4.4Å; I215-F218 HydrophobicContact CB-CG 4.49Å; I215-F218 HydrophobicContact CD1-CB 4.01Å; I215-F218 HydrophobicContact CD1-CD1 4.45Å; I215-F218 HydrophobicContact CD1-CG 4.09Å; I215-F218 HydrophobicContact CG1-CB 4.06Å; I215-F218 HydrophobicContact CG1-CD2 3.93Å; I215-F218 HydrophobicContact CG1-CG 3.97Å; I215-F218 HydrophobicContact CG2-CD1 4.11Å; I215-F218 HydrophobicContact CG2-CD2 3.68Å; I215-F218 HydrophobicContact CG2-CE1 4Å; I215-F218 HydrophobicContact CG2-CE2 3.55Å; I215-F218 HydrophobicContact CG2-CG 4Å; I215-F218 HydrophobicContact CG2-CZ 3.72Å; I215-I223 HydrophobicContact CD1-CD1 4.45Å; I215-I223 HydrophobicContact CD1-CG1 3.71Å; I215-I223 HydrophobicContact CD1-CG2 4.34Å; I215-I226 HydrophobicContact CD1-CD1 4.23Å; I215-I226 HydrophobicContact CG2-CD1 3.9Å; I215-P234 HydrophobicContact CD1-CB 4.24Å; I215-P234 HydrophobicContact CD1-CG 4.19Å; I215-N236 PolarHBondContact N-O 2.86Å; I215-L237 HydrophobicContact CD1-CD1 4.06Å; I215-L237 HydrophobicContact CG1-CD1 3.46Å; I215-L237 VanDerWaalsContact CG1-CD1 3.46Å; I215-L237 CarbonylContact O-C 3.59Å; I215-L237 VanDerWaalsContact O-CA 3.31Å; I215-L237 WeakPolarHBondContact O-CA 3.23Å; I215-Q238 PolarHBondContact O-N 3.48Å |
| 216 | S | 94.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 136.3 | -177.3 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | V185 H186 T187 F218 Q238 | V185-S216 WeakPolarHBondContact O-CA 3.34Å; V185-S216 WeakPolarHBondContact O-CB 3.49Å; V185-S216 PolarHBondContact O-N 3.29Å; H186-S216 CarbonylContact C-O 3.53Å; H186-S216 CarbonylContact O-C 3.57Å; H186-S216 WeakPolarHBondContact O-CB 3.39Å; H186-S216 VanDerWaalsContact O-O 3.09Å; T187-S216 VanDerWaalsContact CA-O 3.3Å; T187-S216 WeakPolarHBondContact CA-O 3.21Å; S216-F218 WeakPolarHBondContact O-CD2 3.48Å; S216-F218 VanDerWaalsContact O-CE2 3.29Å; S216-F218 WeakPolarHBondContact O-CE2 3.32Å; S216-Q238 CarbonylContact C-O 3.57Å; S216-Q238 WeakPolarHBondContact CA-O 3.32Å; S216-Q238 WeakPolarHBondContact CB-O 3.12Å; S216-Q238 PolarHBondContact OG-O 3.03Å |
| 217 | N | 94.1 | Very high | 95.5 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 61.2 | 46.1 | -175.6 | -53.4 | -61.8 | 0 | 0 | 0 | 113.9 | H186 Q238 Y264 F332 | H186-N217 PolarHBondContact O-ND2 2.78Å; N217-Q238 PolarHBondContact N-O 2.92Å; N217-Y264 VanDerWaalsContact OD1-CE1 3.26Å; N217-Y264 WeakPolarHBondContact OD1-CE1 3.27Å; N217-Y264 PolarHBondContact OD1-OH 2.81Å; N217-Y264 VanDerWaalsContact OD1-OH 3.11Å; N217-F332 HydrophobicContact CB-CB 4.37Å; N217-F332 HydrophobicContact CB-CD2 4Å; N217-F332 HydrophobicContact CB-CG 4.31Å; N217-F332 VanDerWaalsContact CG-CD2 3.42Å; N217-F332 VanDerWaalsContact OD1-CD2 3.3Å; N217-F332 WeakPolarHBondContact OD1-CD2 3.38Å; N217-F332 WeakPolarHBondContact OD1-CE2 3.31Å |
| 218 | F | 93.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | trans | -110.7 | 141.9 | 174.3 | -75.4 | -115.9 | 0 | 0 | 0 | 110.4 | V185 A188 F197 I215 S216 Q222 I223 I226 L237 | V185-F218 HydrophobicContact CB-CE2 4.21Å; V185-F218 HydrophobicContact CB-CZ 4.28Å; V185-F218 HydrophobicContact CG1-CE2 4.01Å; V185-F218 HydrophobicContact CG1-CZ 3.84Å; A188-F218 HydrophobicContact CB-CD1 4.14Å; A188-F218 HydrophobicContact CB-CD2 4.3Å; A188-F218 HydrophobicContact CB-CE1 3.88Å; A188-F218 HydrophobicContact CB-CE2 4.06Å; A188-F218 HydrophobicContact CB-CG 4.31Å; A188-F218 HydrophobicContact CB-CZ 3.84Å; F197-F218 HydrophobicContact CZ-CE1 4.35Å; F197-F218 HydrophobicContact CZ-CZ 4.48Å; I215-F218 HydrophobicContact CB-CD2 4.14Å; I215-F218 HydrophobicContact CB-CE2 4.4Å; I215-F218 HydrophobicContact CB-CG 4.49Å; I215-F218 HydrophobicContact CD1-CB 4.01Å; I215-F218 HydrophobicContact CD1-CD1 4.45Å; I215-F218 HydrophobicContact CD1-CG 4.09Å; I215-F218 HydrophobicContact CG1-CB 4.06Å; I215-F218 HydrophobicContact CG1-CD2 3.93Å; I215-F218 HydrophobicContact CG1-CG 3.97Å; I215-F218 HydrophobicContact CG2-CD1 4.11Å; I215-F218 HydrophobicContact CG2-CD2 3.68Å; I215-F218 HydrophobicContact CG2-CE1 4Å; I215-F218 HydrophobicContact CG2-CE2 3.55Å; I215-F218 HydrophobicContact CG2-CG 4Å; I215-F218 HydrophobicContact CG2-CZ 3.72Å; S216-F218 WeakPolarHBondContact O-CD2 3.48Å; S216-F218 VanDerWaalsContact O-CE2 3.29Å; S216-F218 WeakPolarHBondContact O-CE2 3.32Å; F218-Q222 HydrophobicContact CB-CB 4.36Å; F218-Q222 HydrophobicContact CD1-CB 3.7Å; F218-Q222 HydrophobicContact CG-CB 4.46Å; F218-I223 HydrophobicContact CB-CD1 4.41Å; F218-I223 HydrophobicContact CB-CG1 3.83Å; F218-I226 HydrophobicContact CD1-CD1 3.68Å; F218-I226 HydrophobicContact CE1-CD1 3.62Å; F218-L237 HydrophobicContact CB-CD1 4.23Å | ||
| 219 | N | 93.6 | Very high | 95.1 | Very high | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 20% | 0.201 | S | C | . | . | trans | -91.9 | 172.8 | 172.7 | 72.1 | 13.6 | 0 | 0 | 0 | 111.9 | D221 Q222 I223 | N219-D221 VanDerWaalsContact C-N 3.33Å; N219-D221 PolarHBondContact O-N 3.47Å; N219-D221 PolarHBondContact OD1-N 2.84Å; N219-Q222 PolarHBondContact O-N 2.94Å; N219-Q222 WeakPolarHBondContact OD1-CB 3.24Å; N219-Q222 WeakPolarHBondContact OD1-CG 3.41Å; N219-Q222 PolarHBondContact OD1-N 3.15Å; N219-Q222 PolarHBondContact OD1-OE1 3.02Å; N219-I223 WeakPolarHBondContact O-CG1 3.42Å; N219-I223 PolarHBondContact O-N 2.9Å | ||
| 220 | I | 95.8 | Very high | 94.8 | Very high | 40 Ų | 40 | 38 Ų | 38 | 21% | 0.205 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.2 | -44.7 | -176.8 | -68.1 | 179.2 | 0 | 0 | 0 | 112.3 | Q222 I223 T224 E249 L250 F253 | I220-Q222 PolarHBondContact O-N 3.18Å; I220-I223 PolarHBondContact O-N 2.8Å; I220-T224 WeakPolarHBondContact O-CB 3.5Å; I220-T224 PolarHBondContact O-N 3.19Å; I220-T224 PolarHBondContact O-OG1 3.14Å; I220-E249 HydrophobicContact CD1-CG 3.97Å; I220-L250 HydrophobicContact CG1-CD1 3.66Å; I220-F253 HydrophobicContact CD1-CB 4.09Å; I220-F253 HydrophobicContact CD1-CD2 4.36Å; I220-F253 HydrophobicContact CD1-CG 4.27Å; I220-F253 HydrophobicContact CG1-CB 4.25Å; I220-F253 HydrophobicContact CG1-CD1 4.4Å; I220-F253 HydrophobicContact CG1-CD2 4.32Å; I220-F253 HydrophobicContact CG1-CG 4.06Å; I220-F253 HydrophobicContact CG2-CD2 3.74Å; I220-F253 HydrophobicContact CG2-CE2 3.65Å; I220-F253 HydrophobicContact CG2-CG 4.27Å; I220-F253 HydrophobicContact CG2-CZ 4.09Å |
| 221 | D | 93.6 | Very high | 94.7 | Very high | 123 Ų | 123 | 47 Ų | 47 | 66% | 0.658 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.1 | -43.3 | -178.9 | -61.8 | -23.1 | 0 | 0 | 0 | 111.9 | N219 T224 N225 | N219-D221 VanDerWaalsContact C-N 3.33Å; N219-D221 PolarHBondContact O-N 3.47Å; N219-D221 PolarHBondContact OD1-N 2.84Å; D221-T224 PolarHBondContact O-N 3.05Å; D221-N225 PolarHBondContact O-N 3.47Å |
| 222 | Q | 92.9 | Very high | 94.6 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 19% | 0.192 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.9 | -38.6 | 178.6 | -66.3 | 165.1 | -25.6 | 0 | 0 | 111.5 | A188 V193 F218 N219 I220 I226 | A188-Q222 VanDerWaalsContact CB-NE2 3.28Å; V193-Q222 HydrophobicContact CG2-CB 4.16Å; V193-Q222 HydrophobicContact CG2-CG 4.18Å; F218-Q222 HydrophobicContact CB-CB 4.36Å; F218-Q222 HydrophobicContact CD1-CB 3.7Å; F218-Q222 HydrophobicContact CG-CB 4.46Å; N219-Q222 PolarHBondContact O-N 2.94Å; N219-Q222 WeakPolarHBondContact OD1-CB 3.24Å; N219-Q222 WeakPolarHBondContact OD1-CG 3.41Å; N219-Q222 PolarHBondContact OD1-N 3.15Å; N219-Q222 PolarHBondContact OD1-OE1 3.02Å; I220-Q222 PolarHBondContact O-N 3.18Å; Q222-I226 WeakPolarHBondContact O-CG1 3.16Å; Q222-I226 PolarHBondContact O-N 3.42Å; Q222-I226 VanDerWaalsContact O-N 3.08Å |
| 223 | I | 94.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.8 | -46.1 | 175.7 | -58.7 | 165.6 | 0 | 0 | 0 | 109.6 | I215 F218 N219 I220 N225 I226 L227 L237 L250 F253 I259 | I215-I223 HydrophobicContact CD1-CD1 4.45Å; I215-I223 HydrophobicContact CD1-CG1 3.71Å; I215-I223 HydrophobicContact CD1-CG2 4.34Å; F218-I223 HydrophobicContact CB-CD1 4.41Å; F218-I223 HydrophobicContact CB-CG1 3.83Å; N219-I223 WeakPolarHBondContact O-CG1 3.42Å; N219-I223 PolarHBondContact O-N 2.9Å; I220-I223 PolarHBondContact O-N 2.8Å; I223-N225 VanDerWaalsContact C-N 3.32Å; I223-N225 PolarHBondContact O-N 3.1Å; I223-I226 CarbonylContact O-C 3.55Å; I223-I226 WeakPolarHBondContact O-CA 3.44Å; I223-I226 WeakPolarHBondContact O-CB 3.4Å; I223-I226 PolarHBondContact O-N 3.48Å; I223-L227 HydrophobicContact CG2-CD1 4.1Å; I223-L227 HydrophobicContact CG2-CG 4.17Å; I223-L227 WeakPolarHBondContact O-CG 3.23Å; I223-L227 PolarHBondContact O-N 3.27Å; I223-L237 HydrophobicContact CD1-CD1 4.3Å; I223-L237 HydrophobicContact CD1-CD2 3.74Å; I223-L250 HydrophobicContact CD1-CD1 3.7Å; I223-F253 HydrophobicContact CB-CE1 3.99Å; I223-F253 HydrophobicContact CG2-CE1 3.68Å; I223-F253 HydrophobicContact CG2-CZ 4.49Å; I223-I259 HydrophobicContact CG2-CD1 3.84Å |
| 224 | T | 94.9 | Very high | 94.5 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -55.4 | -48.3 | 176.9 | -57.6 | 0 | 0 | 0 | 0 | 110.6 | I220 D221 I226 L227 D228 F253 | I220-T224 WeakPolarHBondContact O-CB 3.5Å; I220-T224 PolarHBondContact O-N 3.19Å; I220-T224 PolarHBondContact O-OG1 3.14Å; D221-T224 PolarHBondContact O-N 3.05Å; T224-I226 VanDerWaalsContact C-N 3.29Å; T224-I226 PolarHBondContact O-N 2.91Å; T224-L227 WeakPolarHBondContact O-CA 3.11Å; T224-L227 WeakPolarHBondContact O-CB 3.41Å; T224-L227 PolarHBondContact O-N 3.36Å; T224-D228 VanDerWaalsContact O-CG 3.3Å; T224-D228 PolarHBondContact O-N 2.8Å; T224-F253 WeakPolarHBondContact OG1-CZ 3.18Å |
| 225 | N | 92 | Very high | 94.5 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 31% | 0.31 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.7 | -35.6 | 175.6 | 179 | 84.3 | 0 | 0 | 0 | 113.1 | V193 D221 I223 N229 | V193-N225 WeakPolarHBondContact CB-ND2 3.33Å; D221-N225 PolarHBondContact O-N 3.47Å; I223-N225 VanDerWaalsContact C-N 3.32Å; I223-N225 PolarHBondContact O-N 3.1Å; N225-N229 WeakPolarHBondContact O-CB 2.98Å; N225-N229 PolarHBondContact O-N 3.26Å; N225-N229 PolarHBondContact O-ND2 3.41Å; N225-N229 PolarHBondContact OD1-ND2 3.01Å |
| 226 | I | 93.5 | Very high | 94.6 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.1 | -44.5 | 173.1 | -68.6 | 167.7 | 0 | 0 | 0 | 110.4 | V193 F197 I198 I215 F218 Q222 I223 T224 D228 N229 S230 P234 | V193-I226 HydrophobicContact CG1-CD1 4.46Å; V193-I226 HydrophobicContact CG1-CG1 3.95Å; F197-I226 HydrophobicContact CE2-CD1 4.44Å; F197-I226 HydrophobicContact CZ-CD1 4.15Å; F197-I226 HydrophobicContact CZ-CG1 4.38Å; I198-I226 HydrophobicContact CD1-CB 4.46Å; I198-I226 HydrophobicContact CD1-CG1 4.09Å; I198-I226 HydrophobicContact CD1-CG2 4.43Å; I215-I226 HydrophobicContact CD1-CD1 4.23Å; I215-I226 HydrophobicContact CG2-CD1 3.9Å; F218-I226 HydrophobicContact CD1-CD1 3.68Å; F218-I226 HydrophobicContact CE1-CD1 3.62Å; Q222-I226 WeakPolarHBondContact O-CG1 3.16Å; Q222-I226 PolarHBondContact O-N 3.42Å; Q222-I226 VanDerWaalsContact O-N 3.08Å; I223-I226 CarbonylContact O-C 3.55Å; I223-I226 WeakPolarHBondContact O-CA 3.44Å; I223-I226 WeakPolarHBondContact O-CB 3.4Å; I223-I226 PolarHBondContact O-N 3.48Å; T224-I226 VanDerWaalsContact C-N 3.29Å; T224-I226 PolarHBondContact O-N 2.91Å; I226-D228 VanDerWaalsContact C-N 3.27Å; I226-D228 PolarHBondContact O-N 2.81Å; I226-N229 PolarHBondContact O-N 3.03Å; I226-N229 VanDerWaalsContact O-N 3.14Å; I226-S230 VanDerWaalsContact O-CB 3.22Å; I226-S230 WeakPolarHBondContact O-CB 3.4Å; I226-S230 PolarHBondContact O-N 3.25Å; I226-S230 PolarHBondContact O-OG 3.45Å; I226-P234 HydrophobicContact CG2-CG 4.42Å |
| 227 | L | 94.6 | Very high | 94.7 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 178 | -65.9 | 176.1 | 0 | 0 | 0 | 111 | I223 T224 N229 K233 P234 F253 H257 I259 | I223-L227 HydrophobicContact CG2-CD1 4.1Å; I223-L227 HydrophobicContact CG2-CG 4.17Å; I223-L227 WeakPolarHBondContact O-CG 3.23Å; I223-L227 PolarHBondContact O-N 3.27Å; T224-L227 WeakPolarHBondContact O-CA 3.11Å; T224-L227 WeakPolarHBondContact O-CB 3.41Å; T224-L227 PolarHBondContact O-N 3.36Å; L227-N229 VanDerWaalsContact C-N 3.27Å; L227-N229 PolarHBondContact O-N 2.76Å; L227-K233 HydrophobicContact CD2-CB 4.17Å; L227-K233 HydrophobicContact CD2-CD 3.85Å; L227-K233 HydrophobicContact CD2-CG 4.23Å; L227-K233 PolarHBondContact O-NZ 3.12Å; L227-P234 HydrophobicContact CD2-CG 4.4Å; L227-F253 HydrophobicContact CD1-CE1 4.3Å; L227-F253 HydrophobicContact CD1-CZ 4.16Å; L227-H257 HydrophobicContact CD1-CB 4.17Å; L227-I259 HydrophobicContact CD2-CD1 4.39Å |
| 228 | D | 93.9 | Very high | 94.8 | Very high | 122 Ų | 122 | 47.4 Ų | 47.4 | 65% | 0.652 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -72 | -20.6 | 179.4 | -64 | -23 | 0 | 0 | 0 | 113.6 | T224 I226 | T224-D228 VanDerWaalsContact O-CG 3.3Å; T224-D228 PolarHBondContact O-N 2.8Å; I226-D228 VanDerWaalsContact C-N 3.27Å; I226-D228 PolarHBondContact O-N 2.81Å |
| 229 | N | 92.6 | Very high | 94.9 | Very high | 40 Ų | 40 | 47.3 Ų | 47.3 | 21% | 0.214 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -118.1 | -3.4 | -170.5 | -70.5 | -84.3 | 0 | 0 | 0 | 115.1 | K195 I198 N225 I226 L227 | K195-N229 HydrophobicContact CD-CB 4.43Å; K195-N229 WeakPolarHBondContact CE-OD1 3.46Å; K195-N229 PolarHBondContact NZ-OD1 2.84Å; I198-N229 HydrophobicContact CD1-CB 4.28Å; N225-N229 WeakPolarHBondContact O-CB 2.98Å; N225-N229 PolarHBondContact O-N 3.26Å; N225-N229 PolarHBondContact O-ND2 3.41Å; N225-N229 PolarHBondContact OD1-ND2 3.01Å; I226-N229 PolarHBondContact O-N 3.03Å; I226-N229 VanDerWaalsContact O-N 3.14Å; L227-N229 VanDerWaalsContact C-N 3.27Å; L227-N229 PolarHBondContact O-N 2.76Å |
| 230 | S | 93.3 | Very high | 95 | Very high | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | trans | -102.9 | 142.4 | -179.5 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | I226 V232 K233 | I226-S230 VanDerWaalsContact O-CB 3.22Å; I226-S230 WeakPolarHBondContact O-CB 3.4Å; I226-S230 PolarHBondContact O-N 3.25Å; I226-S230 PolarHBondContact O-OG 3.45Å; S230-V232 WeakPolarHBondContact CB-O 3.39Å; S230-K233 PolarHBondContact O-NZ 2.98Å; S230-K233 WeakPolarHBondContact OG-CD 3.26Å | ||
| 231 | K | 95.6 | Very high | 94.9 | Very high | 190 Ų | 190 | 41.8 Ų | 41.8 | 83% | 0.826 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -78.7 | -43.1 | 164 | -63.4 | -179.6 | -180 | 179.9 | 0 | 110.5 | E202 | E202-K231 WeakPolarHBondContact OE1-CA 3.48Å; E202-K231 WeakPolarHBondContact OE1-CB 2.84Å; E202-K231 PolarHBondContact OE1-N 3.42Å |
| 232 | V | 95.5 | Very high | 94.9 | Very high | 38 Ų | 38 | 36 Ų | 36 | 23% | 0.23 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -101.8 | 113 | 176.1 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | E202 F205 I213 S230 | E202-V232 HydrophobicContact CG-CB 4.04Å; E202-V232 HydrophobicContact CG-CG2 4.11Å; E202-V232 PolarHBondContact OE1-N 3.44Å; F205-V232 HydrophobicContact CD1-CG1 3.96Å; F205-V232 HydrophobicContact CD1-CG2 4Å; F205-V232 HydrophobicContact CE1-CG1 3.9Å; F205-V232 HydrophobicContact CE1-CG2 4.13Å; F205-V232 HydrophobicContact CZ-CG1 4.5Å; I213-V232 HydrophobicContact CD1-CB 4.03Å; I213-V232 HydrophobicContact CD1-CG1 3.8Å; I213-V232 HydrophobicContact CG1-CG1 4.06Å; S230-V232 WeakPolarHBondContact CB-O 3.39Å |
| 233 | K | 95.8 | Very high | 94.9 | Very high | 96 Ų | 96 | 35 Ų | 35 | 42% | 0.417 | 18% | 0.175 | S | C | . | . | trans | -69.3 | 149.1 | 179.6 | -53.1 | -47.6 | -175.9 | -167.2 | 0 | 110.2 | L227 S230 H235 | L227-K233 HydrophobicContact CD2-CB 4.17Å; L227-K233 HydrophobicContact CD2-CD 3.85Å; L227-K233 HydrophobicContact CD2-CG 4.23Å; L227-K233 PolarHBondContact O-NZ 3.12Å; S230-K233 PolarHBondContact O-NZ 2.98Å; S230-K233 WeakPolarHBondContact OG-CD 3.26Å; K233-H235 PolarHBondContact O-N 2.96Å | ||
| 234 | P | 96.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 6% | 0.058 | 18% | 0.184 | C | C | . | . | trans | -61 | 129.2 | 173.2 | 26.1 | -34 | 0 | 0 | 0 | 110 | I215 I226 L227 I259 | I215-P234 HydrophobicContact CD1-CB 4.24Å; I215-P234 HydrophobicContact CD1-CG 4.19Å; I226-P234 HydrophobicContact CG2-CG 4.42Å; L227-P234 HydrophobicContact CD2-CG 4.4Å; P234-I259 HydrophobicContact CG-CD1 4.01Å | ||
| 235 | H | 97.4 | Very high | 94.7 | Very high | 69 Ų | 69 | 38.2 Ų | 38.2 | 32% | 0.319 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -81.5 | -24.2 | 179.4 | -56.8 | 85.8 | 0 | 0 | 0 | 112 | I213 K233 S260 | I213-H235 PolarHBondContact N-ND1 3.4Å; I213-H235 PolarHBondContact O-N 3.29Å; I213-H235 PolarHBondContact O-ND1 2.93Å; K233-H235 PolarHBondContact O-N 2.96Å; H235-S260 WeakPolarHBondContact O-CB 3.06Å; H235-S260 PolarHBondContact O-N 3.47Å; H235-S260 PolarHBondContact O-OG 3.21Å |
| 236 | N | 97.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 143.7 | -176.8 | -176.7 | -98.5 | 0 | 0 | 0 | 112.1 | L182 L184 G214 I215 S260 T262 | L182-N236 HydrophobicContact CD1-CB 4.06Å; L182-N236 HydrophobicContact CD2-CB 3.78Å; L184-N236 HydrophobicContact CD2-CB 4.39Å; G214-N236 VanDerWaalsContact CA-O 3.25Å; G214-N236 WeakPolarHBondContact CA-O 3.42Å; I215-N236 PolarHBondContact N-O 2.86Å; N236-S260 CarbonylContact C-O 3.57Å; N236-S260 VanDerWaalsContact CA-O 3.29Å; N236-S260 WeakPolarHBondContact CA-O 2.96Å; N236-S260 WeakPolarHBondContact CA-OG 3.37Å; N236-S260 WeakPolarHBondContact CB-OG 3.49Å; N236-S260 PolarHBondContact ND2-O 2.57Å; N236-S260 PolarHBondContact ND2-OG 3.23Å; N236-T262 PolarHBondContact ND2-OG1 3.18Å |
| 237 | L | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124.5 | 164.3 | 175.3 | 67.8 | 0 | 0 | 0 | 109.7 | I215 F218 I223 V239 L250 C254 I259 S260 F261 T262 | I215-L237 HydrophobicContact CD1-CD1 4.06Å; I215-L237 HydrophobicContact CG1-CD1 3.46Å; I215-L237 VanDerWaalsContact CG1-CD1 3.46Å; I215-L237 CarbonylContact O-C 3.59Å; I215-L237 VanDerWaalsContact O-CA 3.31Å; I215-L237 WeakPolarHBondContact O-CA 3.23Å; F218-L237 HydrophobicContact CB-CD1 4.23Å; I223-L237 HydrophobicContact CD1-CD1 4.3Å; I223-L237 HydrophobicContact CD1-CD2 3.74Å; L237-V239 HydrophobicContact CD1-CG1 3.87Å; L237-V239 HydrophobicContact CD2-CG1 4.17Å; L237-V239 HydrophobicContact CG-CG1 3.91Å; L237-L250 HydrophobicContact CD2-CD1 3.97Å; L237-L250 HydrophobicContact CD2-CD2 3.87Å; L237-L250 HydrophobicContact CD2-CG 3.82Å; L237-C254 WeakPolarHBondContact CD2-SG 2.96Å; L237-I259 HydrophobicContact CB-CG2 4.02Å; L237-S260 PolarHBondContact N-O 3.16Å; L237-F261 HydrophobicContact CD2-CD2 4.21Å; L237-F261 HydrophobicContact CD2-CE2 3.9Å; L237-T262 PolarHBondContact O-N 3.4Å |
| 238 | Q | 97.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118.6 | 174.2 | -171.9 | -176.4 | 110.3 | 0 | 0 | 112.1 | D119 L184 I215 S216 N217 T262 Y264 I292 | D119-Q238 PolarHBondContact OD1-NE2 3.34Å; L184-Q238 HydrophobicContact CD1-CB 3.8Å; I215-Q238 PolarHBondContact O-N 3.48Å; S216-Q238 CarbonylContact C-O 3.57Å; S216-Q238 WeakPolarHBondContact CA-O 3.32Å; S216-Q238 WeakPolarHBondContact CB-O 3.12Å; S216-Q238 PolarHBondContact OG-O 3.03Å; N217-Q238 PolarHBondContact N-O 2.92Å; Q238-T262 VanDerWaalsContact CA-O 3.32Å; Q238-T262 WeakPolarHBondContact CA-O 3.4Å; Q238-T262 HydrophobicContact CG-CG2 3.89Å; Q238-Y264 HydrophobicContact CG-CD1 4.21Å; Q238-I292 HydrophobicContact CG-CD1 4.42Å |
| 239 | V | 95.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 166.8 | -178.2 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | L237 C241 Q247 L250 F261 T262 A263 Y264 | L237-V239 HydrophobicContact CD1-CG1 3.87Å; L237-V239 HydrophobicContact CD2-CG1 4.17Å; L237-V239 HydrophobicContact CG-CG1 3.91Å; V239-C241 PolarHBondContact O-N 3.3Å; V239-Q247 HydrophobicContact CG2-CG 4.15Å; V239-L250 HydrophobicContact CG1-CD2 4.28Å; V239-L250 HydrophobicContact CG2-CD2 4.24Å; V239-F261 HydrophobicContact CG2-CE1 3.53Å; V239-F261 HydrophobicContact CG2-CE2 3.99Å; V239-F261 HydrophobicContact CG2-CZ 3.15Å; V239-T262 PolarHBondContact N-O 3.16Å; V239-A263 WeakPolarHBondContact O-CA 3.44Å; V239-Y264 VanDerWaalsContact CA-CE1 3.49Å; V239-Y264 WeakPolarHBondContact O-CD1 3.42Å; V239-Y264 PolarHBondContact O-N 3.35Å |
| 240 | E | 94.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 123.2 | 167.3 | 176.6 | 169.6 | -161.1 | 0 | 0 | 107.9 | H242 W245 Q247 Y264 Q328 N329 F330 | E240-H242 IonicContact OE1-CD2 3.3Å; E240-H242 IonicContact OE1-NE2 3.31Å; E240-H242 PolarHBondContact OE1-NE2 3.42Å; E240-W245 HydrophobicContact CG-CB 4.44Å; E240-W245 HydrophobicContact CG-CG 4.47Å; E240-Q247 WeakPolarHBondContact O-CG 3.49Å; E240-Q247 PolarHBondContact O-NE2 3.18Å; E240-Y264 VanDerWaalsContact CA-CZ 3.47Å; E240-Y264 HydrophobicContact CB-CD2 4.36Å; E240-Y264 HydrophobicContact CB-CE1 4.34Å; E240-Y264 HydrophobicContact CB-CE2 3.54Å; E240-Y264 VanDerWaalsContact CB-CZ 3.48Å; E240-Y264 VanDerWaalsContact CB-OH 3.24Å; E240-Y264 WeakPolarHBondContact CB-OH 3.35Å; E240-Y264 HydrophobicContact CG-CE2 4.31Å; E240-Y264 PolarHBondContact N-OH 3.43Å; E240-Q328 WeakPolarHBondContact OE2-CG 3.18Å; E240-N329 VanDerWaalsContact CD-N 3.34Å; E240-N329 WeakPolarHBondContact OE1-CA 3.16Å; E240-N329 WeakPolarHBondContact OE1-CB 3.35Å; E240-N329 PolarHBondContact OE1-N 2.84Å; E240-N329 PolarHBondContact OE1-ND2 2.98Å; E240-N329 PolarHBondContact OE2-N 3.4Å; E240-F330 HydrophobicContact CG-CD2 4.32Å; E240-F330 PolarHBondContact OE2-N 3.35Å |
| 241 | C | 93.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -151 | 119.4 | 174.1 | -176 | 0 | 0 | 0 | 0 | 110.1 | V239 W245 P246 Q247 F261 A263 Y264 P266 | V239-C241 PolarHBondContact O-N 3.3Å; C241-W245 VanDerWaalsContact CA-O 3.3Å; C241-W245 WeakPolarHBondContact CA-O 3.38Å; C241-P246 PolarHBondContact SG-O 3.07Å; C241-Q247 HydrophobicContact CB-CB 4.49Å; C241-Q247 HydrophobicContact CB-CG 4.01Å; C241-F261 HydrophobicContact CB-CE1 3.97Å; C241-A263 HydrophobicContact CB-CB 3.66Å; C241-Y264 PolarHBondContact N-O 3.5Å; C241-P266 WeakPolarHBondContact O-CA 3.43Å | ||
| 242 | H | 93.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -158.4 | -178.3 | 179.3 | 57.4 | 66.9 | 0 | 0 | 0 | 109.6 | E240 Y244 W245 P246 A265 P266 Q327 N329 | E240-H242 IonicContact OE1-CD2 3.3Å; E240-H242 IonicContact OE1-NE2 3.31Å; E240-H242 PolarHBondContact OE1-NE2 3.42Å; H242-Y244 VanDerWaalsContact C-N 3.32Å; H242-Y244 PolarHBondContact ND1-N 3.3Å; H242-Y244 VanDerWaalsContact ND1-N 3.18Å; H242-Y244 PolarHBondContact O-N 2.77Å; H242-W245 VanDerWaalsContact CE1-CB 3.45Å; H242-W245 WeakPolarHBondContact CE1-CB 3.37Å; H242-W245 PolarHBondContact CE1-N 2.84Å; H242-W245 VanDerWaalsContact CE1-N 3.32Å; H242-W245 PolarHBondContact N-O 3.35Å; H242-W245 VanDerWaalsContact N-O 3.11Å; H242-W245 PolarHBondContact ND1-N 3.25Å; H242-W245 CarbonylContact O-C 3.39Å; H242-W245 PolarHBondContact O-N 2.92Å; H242-P246 WeakPolarHBondContact O-CA 3.25Å; H242-A265 WeakPolarHBondContact CB-O 3.4Å; H242-A265 PolarHBondContact CD2-O 2.76Å; H242-P266 VanDerWaalsContact CB-O 3.23Å; H242-P266 WeakPolarHBondContact CB-O 3.47Å; H242-Q327 PolarHBondContact CE1-O 3.43Å; H242-N329 PolarHBondContact NE2-ND2 3.16Å |
| 243 | L | 93.1 | Very high | 96 | Very high | 18 Ų | 18 | 33.6 Ų | 33.6 | 9% | 0.094 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -48.1 | -174.9 | -172.8 | 64.6 | 0 | 0 | 0 | 113.8 | L280 L320 V323 | L243-L280 HydrophobicContact CB-CD2 4.26Å; L243-L280 HydrophobicContact CD2-CD2 4.03Å; L243-L320 HydrophobicContact CD1-CB 4.15Å; L243-L320 HydrophobicContact CD1-CD2 3.86Å; L243-L320 WeakPolarHBondContact CD1-O 3.39Å; L243-V323 HydrophobicContact CD1-CB 4.31Å; L243-V323 HydrophobicContact CD1-CG2 3.99Å; L243-V323 HydrophobicContact CD2-CG2 4.4Å; L243-V323 HydrophobicContact CG-CB 4.49Å; L243-V323 HydrophobicContact CG-CG1 4.3Å; L243-V323 HydrophobicContact CG-CG2 4.33Å |
| 244 | Y | 92.5 | Very high | 96.1 | Very high | 50 Ų | 50 | 29 Ų | 29 | 20% | 0.196 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -3.6 | 178.1 | -53.4 | -32.5 | 0 | 0 | 0 | 115.1 | H242 V323 I325 R326 Q327 | H242-Y244 VanDerWaalsContact C-N 3.32Å; H242-Y244 PolarHBondContact ND1-N 3.3Å; H242-Y244 VanDerWaalsContact ND1-N 3.18Å; H242-Y244 PolarHBondContact O-N 2.77Å; Y244-V323 HydrophobicContact CD1-CG1 3.96Å; Y244-V323 HydrophobicContact CE1-CG1 3.88Å; Y244-I325 HydrophobicContact CD1-CB 3.72Å; Y244-I325 HydrophobicContact CD1-CD1 4.49Å; Y244-I325 HydrophobicContact CD1-CG2 3.82Å; Y244-I325 HydrophobicContact CD2-CG2 4.37Å; Y244-I325 HydrophobicContact CE1-CB 4.07Å; Y244-I325 HydrophobicContact CE1-CD1 3.99Å; Y244-I325 HydrophobicContact CE1-CG2 4.32Å; Y244-I325 HydrophobicContact CG-CB 4.27Å; Y244-I325 HydrophobicContact CG-CG2 3.86Å; Y244-R326 CarbonylContact O-C 3.38Å; Y244-R326 WeakPolarHBondContact O-CA 3.48Å; Y244-Q327 PolarHBondContact O-N 3.02Å |
| 245 | W | 94.4 | Very high | 96 | Very high | 67 Ų | 67 | 33 Ų | 33 | 25% | 0.254 | 15% | 0.149 | S | C | . | . | B | Isolated β-bridge | trans | -141.2 | 70.8 | 174.4 | -162.9 | -110.9 | 0 | 0 | 0 | 108.9 | E240 C241 H242 Q247 Q328 | E240-W245 HydrophobicContact CG-CB 4.44Å; E240-W245 HydrophobicContact CG-CG 4.47Å; C241-W245 VanDerWaalsContact CA-O 3.3Å; C241-W245 WeakPolarHBondContact CA-O 3.38Å; H242-W245 VanDerWaalsContact CE1-CB 3.45Å; H242-W245 WeakPolarHBondContact CE1-CB 3.37Å; H242-W245 PolarHBondContact CE1-N 2.84Å; H242-W245 VanDerWaalsContact CE1-N 3.32Å; H242-W245 PolarHBondContact N-O 3.35Å; H242-W245 VanDerWaalsContact N-O 3.11Å; H242-W245 PolarHBondContact ND1-N 3.25Å; H242-W245 CarbonylContact O-C 3.39Å; H242-W245 PolarHBondContact O-N 2.92Å; W245-Q247 VanDerWaalsContact C-N 3.3Å; W245-Q247 PolarHBondContact O-N 2.89Å; W245-Q328 HydrophobicContact CD2-CB 3.68Å; W245-Q328 HydrophobicContact CD2-CG 4.15Å; W245-Q328 HydrophobicContact CE3-CB 3.86Å; W245-Q328 HydrophobicContact CG-CB 4.22Å; W245-Q328 HydrophobicContact CG-CG 4.39Å; W245-Q328 HydrophobicContact CH2-CB 4.13Å; W245-Q328 HydrophobicContact CZ2-CB 3.97Å; W245-Q328 HydrophobicContact CZ2-CG 4.2Å; W245-Q328 HydrophobicContact CZ3-CB 4.08Å |
| 246 | P | 95.3 | Very high | 96 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | trans | -76.5 | -12.8 | -162.6 | 28.9 | -37.1 | 0 | 0 | 0 | 114.6 | C241 H242 F248 W283 R287 | C241-P246 PolarHBondContact SG-O 3.07Å; H242-P246 WeakPolarHBondContact O-CA 3.25Å; P246-F248 VanDerWaalsContact C-N 3.29Å; P246-F248 HydrophobicContact CB-CD1 4.24Å; P246-F248 HydrophobicContact CB-CD2 3.91Å; P246-F248 HydrophobicContact CB-CE1 3.89Å; P246-F248 HydrophobicContact CB-CE2 3.53Å; P246-F248 HydrophobicContact CB-CG 4.24Å; P246-F248 HydrophobicContact CB-CZ 3.51Å; P246-F248 HydrophobicContact CG-CD2 3.56Å; P246-F248 HydrophobicContact CG-CE2 3.3Å; P246-F248 HydrophobicContact CG-CG 4.29Å; P246-F248 HydrophobicContact CG-CZ 3.84Å; P246-F248 PolarHBondContact O-N 2.9Å; P246-W283 HydrophobicContact CB-CH2 3.89Å; P246-W283 HydrophobicContact CB-CZ2 4.27Å; P246-R287 PolarHBondContact O-NH1 2.85Å; P246-R287 VanDerWaalsContact O-NH1 3.1Å; P246-R287 PolarHBondContact O-NH2 3.31Å | ||
| 247 | Q | 96.6 | Very high | 96 | Very high | 36 Ų | 36 | 41 Ų | 41 | 17% | 0.168 | 18% | 0.179 | C | C | . | . | trans | 55 | 34.7 | 179.3 | -60.5 | -80 | 20.5 | 0 | 0 | 114.5 | V239 E240 C241 W245 E249 L250 H251 F261 | V239-Q247 HydrophobicContact CG2-CG 4.15Å; E240-Q247 WeakPolarHBondContact O-CG 3.49Å; E240-Q247 PolarHBondContact O-NE2 3.18Å; C241-Q247 HydrophobicContact CB-CB 4.49Å; C241-Q247 HydrophobicContact CB-CG 4.01Å; W245-Q247 VanDerWaalsContact C-N 3.3Å; W245-Q247 PolarHBondContact O-N 2.89Å; Q247-E249 PolarHBondContact O-N 3.45Å; Q247-L250 PolarHBondContact O-N 3.38Å; Q247-H251 WeakPolarHBondContact O-CB 3.32Å; Q247-H251 PolarHBondContact O-N 3.33Å; Q247-F261 HydrophobicContact CB-CE1 4.42Å; Q247-F261 HydrophobicContact CB-CZ 3.73Å; Q247-F261 HydrophobicContact CG-CZ 4.13Å | ||
| 248 | F | 97.1 | Very high | 95.8 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 32% | 0.316 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -54.2 | -51 | -174.5 | -66.1 | -56.6 | 0 | 0 | 0 | 113.3 | P246 H251 E252 W283 N321 | P246-F248 VanDerWaalsContact C-N 3.29Å; P246-F248 HydrophobicContact CB-CD1 4.24Å; P246-F248 HydrophobicContact CB-CD2 3.91Å; P246-F248 HydrophobicContact CB-CE1 3.89Å; P246-F248 HydrophobicContact CB-CE2 3.53Å; P246-F248 HydrophobicContact CB-CG 4.24Å; P246-F248 HydrophobicContact CB-CZ 3.51Å; P246-F248 HydrophobicContact CG-CD2 3.56Å; P246-F248 HydrophobicContact CG-CE2 3.3Å; P246-F248 HydrophobicContact CG-CG 4.29Å; P246-F248 HydrophobicContact CG-CZ 3.84Å; P246-F248 PolarHBondContact O-N 2.9Å; F248-H251 PolarHBondContact O-N 2.7Å; F248-E252 WeakPolarHBondContact O-CG 3.31Å; F248-E252 PolarHBondContact O-N 2.63Å; F248-W283 HydrophobicContact CE1-CZ2 4.44Å; F248-W283 HydrophobicContact CZ-CZ2 4.42Å; F248-N321 HydrophobicContact CE1-CB 4.46Å; F248-N321 HydrophobicContact CZ-CB 4.02Å |
| 249 | E | 97.6 | Very high | 95.7 | Very high | 152 Ų | 152 | 48.5 Ų | 48.5 | 71% | 0.71 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -64.6 | -47.3 | -177.6 | -172 | -177 | 178.8 | 0 | 0 | 112.5 | I220 Q247 H251 E252 F253 | I220-E249 HydrophobicContact CD1-CG 3.97Å; Q247-E249 PolarHBondContact O-N 3.45Å; E249-H251 VanDerWaalsContact C-N 3.35Å; E249-H251 PolarHBondContact O-N 2.81Å; E249-E252 PolarHBondContact O-N 2.59Å; E249-F253 WeakPolarHBondContact O-CB 2.83Å; E249-F253 PolarHBondContact O-N 3.02Å |
| 250 | L | 97.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.6 | -38.5 | 179.5 | -176.1 | 62.9 | 0 | 0 | 0 | 111.8 | I220 I223 L237 V239 Q247 F253 C254 F261 | I220-L250 HydrophobicContact CG1-CD1 3.66Å; I223-L250 HydrophobicContact CD1-CD1 3.7Å; L237-L250 HydrophobicContact CD2-CD1 3.97Å; L237-L250 HydrophobicContact CD2-CD2 3.87Å; L237-L250 HydrophobicContact CD2-CG 3.82Å; V239-L250 HydrophobicContact CG1-CD2 4.28Å; V239-L250 HydrophobicContact CG2-CD2 4.24Å; Q247-L250 PolarHBondContact O-N 3.38Å; L250-F253 WeakPolarHBondContact O-CB 3.44Å; L250-F253 PolarHBondContact O-N 2.82Å; L250-C254 PolarHBondContact O-N 2.77Å; L250-C254 PolarHBondContact O-SG 2.9Å; L250-C254 VanDerWaalsContact O-SG 3.39Å; L250-F261 HydrophobicContact CB-CE2 4.47Å; L250-F261 HydrophobicContact CD2-CE2 4.27Å; L250-F261 HydrophobicContact CD2-CZ 4.47Å; L250-F261 HydrophobicContact CG-CE2 4.01Å |
| 251 | H | 97.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.023 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 176.6 | 176.3 | -128.3 | 0 | 0 | 0 | 112.2 | Q247 F248 E249 F253 C254 K255 F261 R287 I289 | Q247-H251 WeakPolarHBondContact O-CB 3.32Å; Q247-H251 PolarHBondContact O-N 3.33Å; F248-H251 PolarHBondContact O-N 2.7Å; E249-H251 VanDerWaalsContact C-N 3.35Å; E249-H251 PolarHBondContact O-N 2.81Å; H251-F253 VanDerWaalsContact C-N 3.31Å; H251-F253 PolarHBondContact O-N 3.26Å; H251-C254 PolarHBondContact O-N 3.16Å; H251-K255 WeakPolarHBondContact CE1-CE 3.46Å; H251-K255 PolarHBondContact CE1-NZ 3.05Å; H251-K255 VanDerWaalsContact CE1-NZ 3.33Å; H251-K255 WeakPolarHBondContact NE2-CE 3.03Å; H251-K255 PolarHBondContact O-N 3.14Å; H251-F261 HydrophobicContact CB-CD2 4.14Å; H251-F261 HydrophobicContact CB-CE2 4.01Å; H251-F261 HydrophobicContact CB-CZ 4.36Å; H251-F261 AromaticContact CD2-CD2 3.93Å; H251-F261 AromaticContact CD2-CG 3.73Å; H251-R287 PolarHBondContact CE1-O 3.35Å; H251-I289 VanDerWaalsContact NE2-CG1 3.29Å; H251-I289 WeakPolarHBondContact NE2-CG1 3.19Å |
| 252 | E | 97.9 | Very high | 95.8 | Very high | 84 Ų | 84 | 51.1 Ų | 51.1 | 39% | 0.393 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66 | -34.7 | 174.9 | -71.8 | -54.8 | 126.5 | 0 | 0 | 112 | F248 E249 K255 R256 | F248-E252 WeakPolarHBondContact O-CG 3.31Å; F248-E252 PolarHBondContact O-N 2.63Å; E249-E252 PolarHBondContact O-N 2.59Å; E252-K255 IonicContact OE1-NZ 2.64Å; E252-K255 PolarHBondContact OE1-NZ 3.48Å; E252-R256 WeakPolarHBondContact O-CG 3.14Å; E252-R256 PolarHBondContact O-N 3.25Å; E252-R256 VanDerWaalsContact O-N 3.16Å; E252-R256 PolarHBondContact O-NH1 3.16Å |
| 253 | F | 98.4 | Very high | 95.9 | Very high | 15 Ų | 15 | 51 Ų | 51 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.7 | -50.2 | 169.9 | -179.3 | -86.9 | 0 | 0 | 0 | 111.5 | I220 I223 T224 L227 E249 L250 H251 K255 R256 H257 | I220-F253 HydrophobicContact CD1-CB 4.09Å; I220-F253 HydrophobicContact CD1-CD2 4.36Å; I220-F253 HydrophobicContact CD1-CG 4.27Å; I220-F253 HydrophobicContact CG1-CB 4.25Å; I220-F253 HydrophobicContact CG1-CD1 4.4Å; I220-F253 HydrophobicContact CG1-CD2 4.32Å; I220-F253 HydrophobicContact CG1-CG 4.06Å; I220-F253 HydrophobicContact CG2-CD2 3.74Å; I220-F253 HydrophobicContact CG2-CE2 3.65Å; I220-F253 HydrophobicContact CG2-CG 4.27Å; I220-F253 HydrophobicContact CG2-CZ 4.09Å; I223-F253 HydrophobicContact CB-CE1 3.99Å; I223-F253 HydrophobicContact CG2-CE1 3.68Å; I223-F253 HydrophobicContact CG2-CZ 4.49Å; T224-F253 WeakPolarHBondContact OG1-CZ 3.18Å; L227-F253 HydrophobicContact CD1-CE1 4.3Å; L227-F253 HydrophobicContact CD1-CZ 4.16Å; E249-F253 WeakPolarHBondContact O-CB 2.83Å; E249-F253 PolarHBondContact O-N 3.02Å; L250-F253 WeakPolarHBondContact O-CB 3.44Å; L250-F253 PolarHBondContact O-N 2.82Å; H251-F253 VanDerWaalsContact C-N 3.31Å; H251-F253 PolarHBondContact O-N 3.26Å; F253-K255 PolarHBondContact O-N 3.45Å; F253-R256 PolarHBondContact O-N 3.29Å; F253-H257 AromaticContact CD1-CD2 3.93Å; F253-H257 AromaticContact CE1-CD2 3.57Å; F253-H257 AromaticContact CE2-CD2 3.66Å; F253-H257 AromaticContact CE2-NE2 3.44Å; F253-H257 WeakPolarHBondContact CE2-NE2 3.29Å; F253-H257 AromaticContact CZ-CD2 3.43Å; F253-H257 VanDerWaalsContact CZ-CD2 3.43Å; F253-H257 WeakPolarHBondContact CZ-CD2 3.43Å; F253-H257 AromaticContact CZ-NE2 3.47Å; F253-H257 WeakPolarHBondContact CZ-NE2 3.46Å; F253-H257 PolarHBondContact O-CD2 3.11Å; F253-H257 VanDerWaalsContact O-CD2 3.26Å; F253-H257 PolarHBondContact O-N 2.97Å |
| 254 | C | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.1 | -43.9 | 177.6 | -75.3 | 0 | 0 | 0 | 0 | 112.8 | L237 L250 H251 R256 H257 N258 I259 F261 | L237-C254 WeakPolarHBondContact CD2-SG 2.96Å; L250-C254 PolarHBondContact O-N 2.77Å; L250-C254 PolarHBondContact O-SG 2.9Å; L250-C254 VanDerWaalsContact O-SG 3.39Å; H251-C254 PolarHBondContact O-N 3.16Å; C254-R256 PolarHBondContact O-N 3.26Å; C254-H257 CarbonylContact O-C 3.03Å; C254-H257 PolarHBondContact O-N 3.03Å; C254-H257 VanDerWaalsContact O-N 3.12Å; C254-N258 PolarHBondContact O-N 3.23Å; C254-N258 VanDerWaalsContact O-N 3.15Å; C254-I259 CarbonylContact C-O 3.48Å; C254-I259 HydrophobicContact CB-CB 4.02Å; C254-I259 HydrophobicContact CB-CG2 4.49Å; C254-I259 WeakPolarHBondContact CB-O 2.99Å; C254-I259 PolarHBondContact O-N 3.06Å; C254-F261 HydrophobicContact CB-CD2 3.96Å |
| 255 | K | 94.6 | Very high | 95.7 | Very high | 94 Ų | 94 | 49.9 Ų | 49.9 | 41% | 0.409 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.6 | -48.2 | 175.6 | -78.6 | -179 | 173 | 170.6 | 0 | 112.4 | H251 E252 F253 H257 N258 R287 | H251-K255 WeakPolarHBondContact CE1-CE 3.46Å; H251-K255 PolarHBondContact CE1-NZ 3.05Å; H251-K255 VanDerWaalsContact CE1-NZ 3.33Å; H251-K255 WeakPolarHBondContact NE2-CE 3.03Å; H251-K255 PolarHBondContact O-N 3.14Å; E252-K255 IonicContact OE1-NZ 2.64Å; E252-K255 PolarHBondContact OE1-NZ 3.48Å; F253-K255 PolarHBondContact O-N 3.45Å; K255-H257 PolarHBondContact O-N 3.33Å; K255-N258 PolarHBondContact O-N 2.95Å; K255-N258 VanDerWaalsContact O-N 3.13Å; K255-R287 PolarHBondContact NZ-O 3.47Å |
| 256 | R | 97.5 | Very high | 95.4 | Very high | 158 Ų | 158 | 46.8 Ų | 46.8 | 60% | 0.596 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.9 | -26 | 178.8 | -71.2 | -170.1 | -57.9 | -88.1 | 5.5 | 113.4 | E252 F253 C254 | E252-R256 WeakPolarHBondContact O-CG 3.14Å; E252-R256 PolarHBondContact O-N 3.25Å; E252-R256 VanDerWaalsContact O-N 3.16Å; E252-R256 PolarHBondContact O-NH1 3.16Å; F253-R256 PolarHBondContact O-N 3.29Å; C254-R256 PolarHBondContact O-N 3.26Å |
| 257 | H | 96.5 | Very high | 95.1 | Very high | 82 Ų | 82 | 48.5 Ų | 48.5 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 11.3 | -179.8 | -70.5 | -71.9 | 0 | 0 | 0 | 114 | L227 F253 C254 K255 I259 | L227-H257 HydrophobicContact CD1-CB 4.17Å; F253-H257 AromaticContact CD1-CD2 3.93Å; F253-H257 AromaticContact CE1-CD2 3.57Å; F253-H257 AromaticContact CE2-CD2 3.66Å; F253-H257 AromaticContact CE2-NE2 3.44Å; F253-H257 WeakPolarHBondContact CE2-NE2 3.29Å; F253-H257 AromaticContact CZ-CD2 3.43Å; F253-H257 VanDerWaalsContact CZ-CD2 3.43Å; F253-H257 WeakPolarHBondContact CZ-CD2 3.43Å; F253-H257 AromaticContact CZ-NE2 3.47Å; F253-H257 WeakPolarHBondContact CZ-NE2 3.46Å; F253-H257 PolarHBondContact O-CD2 3.11Å; F253-H257 VanDerWaalsContact O-CD2 3.26Å; F253-H257 PolarHBondContact O-N 2.97Å; C254-H257 CarbonylContact O-C 3.03Å; C254-H257 PolarHBondContact O-N 3.03Å; C254-H257 VanDerWaalsContact O-N 3.12Å; K255-H257 PolarHBondContact O-N 3.33Å; H257-I259 HydrophobicContact CB-CD1 3.95Å; H257-I259 HydrophobicContact CB-CG1 3.99Å; H257-I259 PolarHBondContact O-N 3.3Å |
| 258 | N | 93.9 | Very high | 94.4 | Very high | 152 Ų | 152 | 47 Ų | 47 | 81% | 0.813 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 36.9 | -176.9 | -60.2 | -52.6 | 0 | 0 | 0 | 113.5 | C254 K255 | C254-N258 PolarHBondContact O-N 3.23Å; C254-N258 VanDerWaalsContact O-N 3.15Å; K255-N258 PolarHBondContact O-N 2.95Å; K255-N258 VanDerWaalsContact O-N 3.13Å |
| 259 | I | 95.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | trans | -100.4 | 118.5 | 174.9 | -52.7 | 175.2 | 0 | 0 | 0 | 107.4 | I223 L227 P234 L237 C254 H257 | I223-I259 HydrophobicContact CG2-CD1 3.84Å; L227-I259 HydrophobicContact CD2-CD1 4.39Å; P234-I259 HydrophobicContact CG-CD1 4.01Å; L237-I259 HydrophobicContact CB-CG2 4.02Å; C254-I259 CarbonylContact C-O 3.48Å; C254-I259 HydrophobicContact CB-CB 4.02Å; C254-I259 HydrophobicContact CB-CG2 4.49Å; C254-I259 WeakPolarHBondContact CB-O 2.99Å; C254-I259 PolarHBondContact O-N 3.06Å; H257-I259 HydrophobicContact CB-CD1 3.95Å; H257-I259 HydrophobicContact CB-CG1 3.99Å; H257-I259 PolarHBondContact O-N 3.3Å | ||
| 260 | S | 94.4 | Very high | 90.7 | Very high | 52 Ų | 52 | 41.8 Ų | 41.8 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 150.7 | 172.9 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | H235 N236 L237 | H235-S260 WeakPolarHBondContact O-CB 3.06Å; H235-S260 PolarHBondContact O-N 3.47Å; H235-S260 PolarHBondContact O-OG 3.21Å; N236-S260 CarbonylContact C-O 3.57Å; N236-S260 VanDerWaalsContact CA-O 3.29Å; N236-S260 WeakPolarHBondContact CA-O 2.96Å; N236-S260 WeakPolarHBondContact CA-OG 3.37Å; N236-S260 WeakPolarHBondContact CB-OG 3.49Å; N236-S260 PolarHBondContact ND2-O 2.57Å; N236-S260 PolarHBondContact ND2-OG 3.23Å; L237-S260 PolarHBondContact N-O 3.16Å |
| 261 | F | 95.6 | Very high | 88.5 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.8 | -172.3 | -162.5 | -76.2 | 0 | 0 | 0 | 110.8 | L237 V239 C241 Q247 L250 H251 C254 I289 I290 | L237-F261 HydrophobicContact CD2-CD2 4.21Å; L237-F261 HydrophobicContact CD2-CE2 3.9Å; V239-F261 HydrophobicContact CG2-CE1 3.53Å; V239-F261 HydrophobicContact CG2-CE2 3.99Å; V239-F261 HydrophobicContact CG2-CZ 3.15Å; C241-F261 HydrophobicContact CB-CE1 3.97Å; Q247-F261 HydrophobicContact CB-CE1 4.42Å; Q247-F261 HydrophobicContact CB-CZ 3.73Å; Q247-F261 HydrophobicContact CG-CZ 4.13Å; L250-F261 HydrophobicContact CB-CE2 4.47Å; L250-F261 HydrophobicContact CD2-CE2 4.27Å; L250-F261 HydrophobicContact CD2-CZ 4.47Å; L250-F261 HydrophobicContact CG-CE2 4.01Å; H251-F261 HydrophobicContact CB-CD2 4.14Å; H251-F261 HydrophobicContact CB-CE2 4.01Å; H251-F261 HydrophobicContact CB-CZ 4.36Å; H251-F261 AromaticContact CD2-CD2 3.93Å; H251-F261 AromaticContact CD2-CG 3.73Å; C254-F261 HydrophobicContact CB-CD2 3.96Å; F261-I289 HydrophobicContact CD1-CD1 4.38Å; F261-I289 HydrophobicContact CD1-CG1 4.14Å; F261-I289 HydrophobicContact CD1-CG2 3.89Å; F261-I290 WeakPolarHBondContact O-CB 3.36Å; F261-I290 PolarHBondContact O-N 3.5Å |
| 262 | T | 96.2 | Very high | 86.3 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.8 | 179.5 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | N236 L237 Q238 V239 I290 I292 | N236-T262 PolarHBondContact ND2-OG1 3.18Å; L237-T262 PolarHBondContact O-N 3.4Å; Q238-T262 VanDerWaalsContact CA-O 3.32Å; Q238-T262 WeakPolarHBondContact CA-O 3.4Å; Q238-T262 HydrophobicContact CG-CG2 3.89Å; V239-T262 PolarHBondContact N-O 3.16Å; T262-I290 CarbonylContact C-O 3.48Å; T262-I290 WeakPolarHBondContact CA-O 3.49Å; T262-I290 HydrophobicContact CG2-CB 4.32Å; T262-I290 HydrophobicContact CG2-CG2 3.94Å; T262-I292 HydrophobicContact CG2-CD1 4.25Å; T262-I292 HydrophobicContact CG2-CG1 4.21Å; T262-I292 HydrophobicContact CG2-CG2 3.81Å |
| 263 | A | 94.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 108.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V239 C241 P266 L284 I289 I290 V291 I292 | V239-A263 WeakPolarHBondContact O-CA 3.44Å; C241-A263 HydrophobicContact CB-CB 3.66Å; A263-P266 HydrophobicContact CB-CB 4.4Å; A263-L284 HydrophobicContact CB-CD1 4.02Å; A263-I289 HydrophobicContact CB-CG2 3.64Å; A263-I290 PolarHBondContact N-O 3.04Å; A263-V291 HydrophobicContact CB-CG1 4.49Å; A263-I292 WeakPolarHBondContact O-CG1 3.45Å; A263-I292 PolarHBondContact O-N 2.82Å |
| 264 | Y | 92.3 | Very high | 82.2 | Confident | 25 Ų | 25 | 52.4 Ų | 52.4 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 157.8 | 159.5 | 79.3 | -110.5 | 0 | 0 | 0 | 110.6 | N217 Q238 V239 E240 C241 P266 F330 F332 | N217-Y264 VanDerWaalsContact OD1-CE1 3.26Å; N217-Y264 WeakPolarHBondContact OD1-CE1 3.27Å; N217-Y264 PolarHBondContact OD1-OH 2.81Å; N217-Y264 VanDerWaalsContact OD1-OH 3.11Å; Q238-Y264 HydrophobicContact CG-CD1 4.21Å; V239-Y264 VanDerWaalsContact CA-CE1 3.49Å; V239-Y264 WeakPolarHBondContact O-CD1 3.42Å; V239-Y264 PolarHBondContact O-N 3.35Å; E240-Y264 VanDerWaalsContact CA-CZ 3.47Å; E240-Y264 HydrophobicContact CB-CD2 4.36Å; E240-Y264 HydrophobicContact CB-CE1 4.34Å; E240-Y264 HydrophobicContact CB-CE2 3.54Å; E240-Y264 VanDerWaalsContact CB-CZ 3.48Å; E240-Y264 VanDerWaalsContact CB-OH 3.24Å; E240-Y264 WeakPolarHBondContact CB-OH 3.35Å; E240-Y264 HydrophobicContact CG-CE2 4.31Å; E240-Y264 PolarHBondContact N-OH 3.43Å; C241-Y264 PolarHBondContact N-O 3.5Å; Y264-P266 VanDerWaalsContact C-CD 3.45Å; Y264-P266 VanDerWaalsContact C-N 3.32Å; Y264-F330 HydrophobicContact CE2-CB 4.28Å; Y264-F330 AromaticContact CE2-CD2 3.68Å; Y264-F330 HydrophobicContact CE2-CD2 3.68Å; Y264-F330 HydrophobicContact CE2-CE2 4.22Å; Y264-F330 HydrophobicContact CE2-CG 4.03Å; Y264-F332 AromaticContact CZ-CE2 4Å; Y264-F332 VanDerWaalsContact OH-CE2 3.28Å; Y264-F332 WeakPolarHBondContact OH-CE2 3.5Å |
| 265 | A | 89.4 | Confident | 80.4 | Confident | 20 Ų | 20 | 61.2 Ų | 61.2 | 17% | 0.165 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 48.7 | 49.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H242 L267 G268 F330 | H242-A265 WeakPolarHBondContact CB-O 3.4Å; H242-A265 PolarHBondContact CD2-O 2.76Å; A265-L267 PolarHBondContact O-N 2.93Å; A265-L267 VanDerWaalsContact O-N 3.07Å; A265-G268 WeakPolarHBondContact O-CA 3.35Å; A265-G268 PolarHBondContact O-N 3.07Å; A265-F330 HydrophobicContact CB-CD2 4.3Å; A265-F330 HydrophobicContact CB-CE2 3.56Å; A265-F330 HydrophobicContact CB-CZ 4.35Å |
| 266 | P | 88.9 | Confident | 79.5 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.013 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.1 | -174.7 | 29.2 | -37.4 | 0 | 0 | 0 | 113.6 | C241 H242 A263 Y264 L281 L284 V291 P293 | C241-P266 WeakPolarHBondContact O-CA 3.43Å; H242-P266 VanDerWaalsContact CB-O 3.23Å; H242-P266 WeakPolarHBondContact CB-O 3.47Å; A263-P266 HydrophobicContact CB-CB 4.4Å; Y264-P266 VanDerWaalsContact C-CD 3.45Å; Y264-P266 VanDerWaalsContact C-N 3.32Å; P266-L281 HydrophobicContact CB-CD2 3.69Å; P266-L281 HydrophobicContact CG-CD2 3.63Å; P266-L284 HydrophobicContact CB-CD1 3.45Å; P266-L284 VanDerWaalsContact CB-CD1 3.45Å; P266-V291 HydrophobicContact CB-CB 4.27Å; P266-V291 HydrophobicContact CB-CG1 4.31Å; P266-V291 HydrophobicContact CG-CB 4.38Å; P266-P293 HydrophobicContact CG-CB 3.98Å |
| 267 | L | 86.9 | Confident | 78.8 | Confident | 40 Ų | 40 | 55.8 Ų | 55.8 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 21.5 | 172.6 | -52.7 | 173.4 | 0 | 0 | 0 | 111.6 | A265 Y274 P277 L280 L281 | A265-L267 PolarHBondContact O-N 2.93Å; A265-L267 VanDerWaalsContact O-N 3.07Å; L267-Y274 HydrophobicContact CB-CD2 4.39Å; L267-Y274 HydrophobicContact CB-CE2 4.44Å; L267-Y274 WeakPolarHBondContact O-CE2 3.11Å; L267-P277 HydrophobicContact CD1-CB 3.84Å; L267-P277 HydrophobicContact CD2-CB 3.93Å; L267-L280 HydrophobicContact CD2-CB 3.91Å; L267-L280 HydrophobicContact CD2-CD1 4.15Å; L267-L281 HydrophobicContact CD2-CD2 3.99Å; L267-L281 HydrophobicContact CD2-CG 4.08Å; L267-L281 HydrophobicContact CG-CD2 4.21Å |
| 268 | G | 82.9 | Confident | 78.2 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | trans | 65.2 | -145.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A265 | A265-G268 WeakPolarHBondContact O-CA 3.35Å; A265-G268 PolarHBondContact O-N 3.07Å | ||
| 269 | S | 64.2 | Low | 78 | Confident | 36 Ų | 36 | 48.3 Ų | 48.3 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -75.5 | 138.2 | -178.2 | 61 | 0 | 0 | 0 | 0 | 112.8 | G271 R272 | S269-G271 PolarHBondContact O-N 2.89Å; S269-R272 PolarHBondContact O-N 3.42Å; S269-R272 PolarHBondContact OG-NE 3.46Å |
| 270 | P | 52.9 | Low | 77.8 | Confident | 77 Ų | 77 | 48.6 Ų | 48.6 | 50% | 0.5 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 128.5 | 168.7 | -21.8 | 31.1 | 0 | 0 | 0 | 111 | ||
| 271 | G | 50.5 | Low | 77.6 | Confident | 81 Ų | 81 | 46.1 Ų | 46.1 | 84% | 0.835 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116 | -16.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S269 S273 | S269-G271 PolarHBondContact O-N 2.89Å; G271-S273 PolarHBondContact O-N 3.08Å |
| 272 | R | 53.1 | Low | 77.3 | Confident | 93 Ų | 93 | 46.6 Ų | 46.6 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | trans | -80.5 | 109.2 | 167.8 | -63.4 | -172.8 | -158 | -141.1 | 13.4 | 108.8 | S269 Y274 N329 | S269-R272 PolarHBondContact O-N 3.42Å; S269-R272 PolarHBondContact OG-NE 3.46Å; R272-Y274 HydrophobicContact CB-CD2 4.13Å; R272-Y274 HydrophobicContact CB-CE2 3.54Å; R272-Y274 WeakPolarHBondContact CD-OH 3.38Å; R272-Y274 WeakPolarHBondContact O-CD2 3.39Å; R272-Y274 PolarHBondContact O-N 2.95Å; R272-Y274 VanDerWaalsContact O-N 3.13Å; R272-N329 PolarHBondContact NH2-OD1 2.85Å | ||
| 273 | S | 51.3 | Low | 77.2 | Confident | 121 Ų | 121 | 46.5 Ų | 46.5 | 85% | 0.846 | 27% | 0.271 | S | S | * | . | trans | -73.8 | 97.4 | 168.2 | -169.8 | 0 | 0 | 0 | 0 | 107.7 | G271 | G271-S273 PolarHBondContact O-N 3.08Š| ||
| 274 | Y | 57.3 | Low | 77.1 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 18% | 0.184 | 27% | 0.271 | C | S | . | . | trans | -77.8 | 131.5 | 166 | -67.2 | -86.4 | 0 | 0 | 0 | 107.4 | L267 R272 L276 L280 | L267-Y274 HydrophobicContact CB-CD2 4.39Å; L267-Y274 HydrophobicContact CB-CE2 4.44Å; L267-Y274 WeakPolarHBondContact O-CE2 3.11Å; R272-Y274 HydrophobicContact CB-CD2 4.13Å; R272-Y274 HydrophobicContact CB-CE2 3.54Å; R272-Y274 WeakPolarHBondContact CD-OH 3.38Å; R272-Y274 WeakPolarHBondContact O-CD2 3.39Å; R272-Y274 PolarHBondContact O-N 2.95Å; R272-Y274 VanDerWaalsContact O-N 3.13Å; Y274-L276 PolarHBondContact O-N 2.97Å; Y274-L280 HydrophobicContact CD1-CD1 3.49Å; Y274-L280 VanDerWaalsContact CD1-CD1 3.49Å; Y274-L280 HydrophobicContact CD2-CD1 4.26Å; Y274-L280 HydrophobicContact CE1-CD1 3.72Å; Y274-L280 HydrophobicContact CE2-CD1 4.48Å; Y274-L280 HydrophobicContact CG-CD1 3.75Å | ||
| 275 | Q | 59.3 | Low | 77 | Confident | 186 Ų | 186 | 47.1 Ų | 47.1 | 87% | 0.869 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -63.3 | -22.3 | 175 | -68.7 | -176.9 | -16.7 | 0 | 0 | 111.7 | ||
| 276 | L | 76.2 | Confident | 77.1 | Confident | 102 Ų | 102 | 49.3 Ų | 49.3 | 53% | 0.534 | 28% | 0.282 | S | S | . | . | trans | -140.6 | 67.1 | -171.3 | -62 | 167.6 | 0 | 0 | 0 | 111.8 | Y274 N278 I279 | Y274-L276 PolarHBondContact O-N 2.97Å; L276-N278 PolarHBondContact O-N 3.26Å; L276-I279 HydrophobicContact CB-CB 4.22Å; L276-I279 HydrophobicContact CB-CD1 3.81Å; L276-I279 HydrophobicContact CB-CG1 4.03Å; L276-I279 HydrophobicContact CD1-CD1 3.53Å; L276-I279 HydrophobicContact CD2-CD1 4.4Å; L276-I279 HydrophobicContact CG-CD1 4.09Å; L276-I279 PolarHBondContact O-N 3.41Å | ||
| 277 | P | 82.8 | Confident | 77.4 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 23% | 0.234 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.5 | -37 | 179.4 | 24 | -33.6 | 0 | 0 | 0 | 112.4 | L267 I279 L280 L281 | L267-P277 HydrophobicContact CD1-CB 3.84Å; L267-P277 HydrophobicContact CD2-CB 3.93Å; P277-I279 VanDerWaalsContact C-N 3.33Å; P277-I279 PolarHBondContact O-N 3.32Å; P277-L280 PolarHBondContact O-N 3.41Å; P277-L280 VanDerWaalsContact O-N 3.15Å; P277-L281 WeakPolarHBondContact O-CG 3.35Å; P277-L281 PolarHBondContact O-N 3.48Å |
| 278 | N | 84.9 | Confident | 77.5 | Confident | 28 Ų | 28 | 51 Ų | 51 | 15% | 0.15 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.7 | -36.3 | -178.8 | -70.9 | 17.8 | 0 | 0 | 0 | 112.7 | L276 L280 L281 K282 S303 Q306 L307 F310 | L276-N278 PolarHBondContact O-N 3.26Å; N278-L280 VanDerWaalsContact C-N 3.34Å; N278-L280 PolarHBondContact O-N 3.24Å; N278-L281 PolarHBondContact O-N 3.36Å; N278-K282 WeakPolarHBondContact O-CB 3.49Å; N278-K282 PolarHBondContact O-N 3.34Å; N278-S303 PolarHBondContact ND2-O 3.17Å; N278-S303 PolarHBondContact OD1-O 3.22Å; N278-S303 PolarHBondContact OD1-OG 2.83Å; N278-Q306 PolarHBondContact ND2-O 2.88Å; N278-Q306 VanDerWaalsContact ND2-O 3.1Å; N278-L307 HydrophobicContact CB-CD2 3.62Å; N278-L307 WeakPolarHBondContact O-CD2 2.97Å; N278-F310 HydrophobicContact CB-CE1 4.33Å; N278-F310 HydrophobicContact CB-CZ 4.25Å |
| 279 | I | 89.4 | Confident | 77.9 | Confident | 49 Ų | 49 | 50.8 Ų | 50.8 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 175.8 | -67.4 | -177.4 | 0 | 0 | 0 | 110.8 | L276 P277 K282 W283 L312 L320 | L276-I279 HydrophobicContact CB-CB 4.22Å; L276-I279 HydrophobicContact CB-CD1 3.81Å; L276-I279 HydrophobicContact CB-CG1 4.03Å; L276-I279 HydrophobicContact CD1-CD1 3.53Å; L276-I279 HydrophobicContact CD2-CD1 4.4Å; L276-I279 HydrophobicContact CG-CD1 4.09Å; L276-I279 PolarHBondContact O-N 3.41Å; P277-I279 VanDerWaalsContact C-N 3.33Å; P277-I279 PolarHBondContact O-N 3.32Å; I279-K282 PolarHBondContact O-N 2.96Å; I279-W283 WeakPolarHBondContact O-CB 3.47Å; I279-W283 PolarHBondContact O-N 3.07Å; I279-L312 HydrophobicContact CG1-CD2 4.47Å; I279-L312 HydrophobicContact CG2-CD1 4.26Å; I279-L312 HydrophobicContact CG2-CD2 4.01Å; I279-L320 HydrophobicContact CG2-CD1 4.05Å |
| 280 | L | 91.1 | Very high | 79.2 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.2 | -40 | -179.6 | -60 | -175.5 | 0 | 0 | 0 | 112.1 | L243 L267 Y274 P277 N278 L284 L320 | L243-L280 HydrophobicContact CB-CD2 4.26Å; L243-L280 HydrophobicContact CD2-CD2 4.03Å; L267-L280 HydrophobicContact CD2-CB 3.91Å; L267-L280 HydrophobicContact CD2-CD1 4.15Å; Y274-L280 HydrophobicContact CD1-CD1 3.49Å; Y274-L280 VanDerWaalsContact CD1-CD1 3.49Å; Y274-L280 HydrophobicContact CD2-CD1 4.26Å; Y274-L280 HydrophobicContact CE1-CD1 3.72Å; Y274-L280 HydrophobicContact CE2-CD1 4.48Å; Y274-L280 HydrophobicContact CG-CD1 3.75Å; P277-L280 PolarHBondContact O-N 3.41Å; P277-L280 VanDerWaalsContact O-N 3.15Å; N278-L280 VanDerWaalsContact C-N 3.34Å; N278-L280 PolarHBondContact O-N 3.24Å; L280-L284 PolarHBondContact O-N 2.92Å; L280-L320 HydrophobicContact CD2-CD2 4.44Å |
| 281 | L | 89.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 174.1 | -61.1 | 178 | 0 | 0 | 0 | 110.8 | P266 L267 P277 N278 W283 L284 L285 V291 P293 N304 L307 | P266-L281 HydrophobicContact CB-CD2 3.69Å; P266-L281 HydrophobicContact CG-CD2 3.63Å; L267-L281 HydrophobicContact CD2-CD2 3.99Å; L267-L281 HydrophobicContact CD2-CG 4.08Å; L267-L281 HydrophobicContact CG-CD2 4.21Å; P277-L281 WeakPolarHBondContact O-CG 3.35Å; P277-L281 PolarHBondContact O-N 3.48Å; N278-L281 PolarHBondContact O-N 3.36Å; L281-W283 VanDerWaalsContact C-N 3.34Å; L281-W283 PolarHBondContact O-N 3.35Å; L281-L284 PolarHBondContact O-N 3.43Å; L281-L285 WeakPolarHBondContact O-CG 3.37Å; L281-L285 PolarHBondContact O-N 3.17Å; L281-V291 HydrophobicContact CD2-CB 4.19Å; L281-V291 HydrophobicContact CD2-CG1 4.48Å; L281-V291 HydrophobicContact CD2-CG2 4.24Å; L281-P293 HydrophobicContact CD1-CB 4.08Å; L281-P293 HydrophobicContact CD1-CG 3.98Å; L281-P293 HydrophobicContact CD2-CB 3.95Å; L281-P293 HydrophobicContact CD2-CG 4.17Å; L281-N304 HydrophobicContact CD1-CB 4.27Å; L281-L307 HydrophobicContact CB-CD1 3.6Å; L281-L307 HydrophobicContact CB-CD2 3.86Å; L281-L307 HydrophobicContact CB-CG 4.42Å; L281-L307 HydrophobicContact CD1-CD1 3.95Å; L281-L307 HydrophobicContact CD1-CD2 4.3Å; L281-L307 HydrophobicContact CG-CD1 4.4Å |
| 282 | K | 89.7 | Confident | 82.6 | Confident | 14 Ų | 14 | 43.7 Ų | 43.7 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.8 | -176.8 | 58.1 | 168.4 | -154.9 | 0 | 112.6 | N278 I279 L284 L285 Q286 L307 F310 L312 | N278-K282 WeakPolarHBondContact O-CB 3.49Å; N278-K282 PolarHBondContact O-N 3.34Å; I279-K282 PolarHBondContact O-N 2.96Å; K282-L284 VanDerWaalsContact C-N 3.32Å; K282-L284 PolarHBondContact O-N 3.41Å; K282-L285 PolarHBondContact O-N 3.32Å; K282-Q286 HydrophobicContact CD-CG 4.2Å; K282-Q286 PolarHBondContact O-N 3.49Å; K282-L307 WeakPolarHBondContact CD-O 3.31Å; K282-L307 PolarHBondContact NZ-O 3.27Å; K282-F310 HydrophobicContact CB-CE1 4.43Å; K282-F310 HydrophobicContact CB-CE2 3.77Å; K282-F310 HydrophobicContact CB-CZ 3.53Å; K282-F310 WeakPolarHBondContact CE-O 3.43Å; K282-F310 HydrophobicContact CG-CD2 4.28Å; K282-F310 HydrophobicContact CG-CE2 3.64Å; K282-F310 HydrophobicContact CG-CZ 3.81Å; K282-F310 PolarHBondContact NZ-O 2.78Å; K282-L312 HydrophobicContact CB-CD1 4.38Å; K282-L312 HydrophobicContact CG-CD1 4.26Å; K282-L312 HydrophobicContact CG-CG 4.02Å |
| 283 | W | 94 | Very high | 84 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -42.2 | 174.7 | 166.4 | 72.1 | 0 | 0 | 0 | 112.5 | P246 F248 I279 L281 R287 L312 M317 L320 N321 | P246-W283 HydrophobicContact CB-CH2 3.89Å; P246-W283 HydrophobicContact CB-CZ2 4.27Å; F248-W283 HydrophobicContact CE1-CZ2 4.44Å; F248-W283 HydrophobicContact CZ-CZ2 4.42Å; I279-W283 WeakPolarHBondContact O-CB 3.47Å; I279-W283 PolarHBondContact O-N 3.07Å; L281-W283 VanDerWaalsContact C-N 3.34Å; L281-W283 PolarHBondContact O-N 3.35Å; W283-R287 VanDerWaalsContact CZ2-NH1 3.25Å; W283-R287 VanDerWaalsContact O-CG 3.27Å; W283-R287 WeakPolarHBondContact O-CG 3.36Å; W283-R287 PolarHBondContact O-N 3.45Å; W283-L312 HydrophobicContact CB-CD1 3.74Å; W283-M317 HydrophobicContact CB-SD 4.49Å; W283-M317 HydrophobicContact CG-SD 4.5Å; W283-L320 HydrophobicContact CB-CD1 3.64Å; W283-L320 HydrophobicContact CD2-CB 4.41Å; W283-L320 HydrophobicContact CG-CB 4.11Å; W283-L320 HydrophobicContact CG-CD1 3.69Å; W283-N321 PolarHBondContact NE1-OD1 2.66Å |
| 284 | L | 92.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.7 | -45.5 | 173.1 | -69.4 | 170.9 | 0 | 0 | 0 | 111.2 | A263 P266 L280 L281 K282 Q286 R287 G288 I289 V291 | A263-L284 HydrophobicContact CB-CD1 4.02Å; P266-L284 HydrophobicContact CB-CD1 3.45Å; P266-L284 VanDerWaalsContact CB-CD1 3.45Å; L280-L284 PolarHBondContact O-N 2.92Å; L281-L284 PolarHBondContact O-N 3.43Å; K282-L284 VanDerWaalsContact C-N 3.32Å; K282-L284 PolarHBondContact O-N 3.41Å; L284-Q286 PolarHBondContact O-N 2.88Å; L284-R287 WeakPolarHBondContact O-CB 3.34Å; L284-R287 PolarHBondContact O-N 3.41Å; L284-G288 PolarHBondContact O-N 3.31Å; L284-I289 HydrophobicContact CB-CB 4.29Å; L284-I289 HydrophobicContact CB-CG2 4.37Å; L284-I289 HydrophobicContact CD2-CD1 4.03Å; L284-I289 HydrophobicContact CD2-CG2 4.4Å; L284-I289 WeakPolarHBondContact O-CB 3.19Å; L284-I289 PolarHBondContact O-N 3.32Å; L284-V291 HydrophobicContact CB-CG1 3.36Å; L284-V291 HydrophobicContact CD1-CG1 3.63Å; L284-V291 HydrophobicContact CG-CG1 4.13Å |
| 285 | L | 89.1 | Confident | 85.9 | Confident | 38 Ų | 38 | 36 Ų | 36 | 20% | 0.199 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 178.1 | -70.9 | 173.9 | 0 | 0 | 0 | 112.5 | L281 K282 R287 G288 V291 L307 F308 | L281-L285 WeakPolarHBondContact O-CG 3.37Å; L281-L285 PolarHBondContact O-N 3.17Å; K282-L285 PolarHBondContact O-N 3.32Å; L285-R287 PolarHBondContact O-N 3.08Å; L285-G288 WeakPolarHBondContact O-CA 3.35Å; L285-G288 PolarHBondContact O-N 2.85Å; L285-V291 HydrophobicContact CD2-CG2 4.05Å; L285-V291 HydrophobicContact CG-CG2 4.21Å; L285-L307 HydrophobicContact CD1-CB 3.82Å; L285-L307 HydrophobicContact CD1-CD1 3.66Å; L285-L307 HydrophobicContact CD1-CG 4.38Å; L285-F308 HydrophobicContact CD1-CE1 4.45Å; L285-F308 HydrophobicContact CD1-CZ 4.38Å |
| 286 | Q | 92.3 | Very high | 86.5 | Confident | 66 Ų | 66 | 28.7 Ų | 28.7 | 31% | 0.308 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -67.8 | -15.2 | 176.9 | -81.3 | -178.8 | -100 | 0 | 0 | 113.6 | K282 L284 G288 L312 M317 | K282-Q286 HydrophobicContact CD-CG 4.2Å; K282-Q286 PolarHBondContact O-N 3.49Å; L284-Q286 PolarHBondContact O-N 2.88Å; Q286-G288 VanDerWaalsContact C-N 3.26Å; Q286-L312 PolarHBondContact NE2-O 3.14Å; Q286-L312 VanDerWaalsContact OE1-CB 3.3Å; Q286-M317 HydrophobicContact CB-CE 3.57Å; Q286-M317 HydrophobicContact CB-SD 3.94Å |
| 287 | R | 94.2 | Very high | 86.5 | Confident | 22 Ų | 22 | 26.8 Ų | 26.8 | 8% | 0.083 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -8.3 | 168.1 | -69.8 | 170.3 | 59.5 | -156.5 | -6.7 | 112.7 | P246 H251 K255 W283 L284 L285 I289 M317 | P246-R287 PolarHBondContact O-NH1 2.85Å; P246-R287 VanDerWaalsContact O-NH1 3.1Å; P246-R287 PolarHBondContact O-NH2 3.31Å; H251-R287 PolarHBondContact CE1-O 3.35Å; K255-R287 PolarHBondContact NZ-O 3.47Å; W283-R287 VanDerWaalsContact CZ2-NH1 3.25Å; W283-R287 VanDerWaalsContact O-CG 3.27Å; W283-R287 WeakPolarHBondContact O-CG 3.36Å; W283-R287 PolarHBondContact O-N 3.45Å; L284-R287 WeakPolarHBondContact O-CB 3.34Å; L284-R287 PolarHBondContact O-N 3.41Å; L285-R287 PolarHBondContact O-N 3.08Å; R287-I289 HydrophobicContact CB-CD1 4.05Å; R287-I289 HydrophobicContact CB-CG1 4.21Å; R287-I289 VanDerWaalsContact CZ-CD1 3.43Å; R287-M317 HydrophobicContact CG-CE 4Å |
| 288 | G | 89.2 | Confident | 86.4 | Confident | 55 Ų | 55 | 28.4 Ų | 28.4 | 57% | 0.567 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 22.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L284 L285 Q286 | L284-G288 PolarHBondContact O-N 3.31Å; L285-G288 WeakPolarHBondContact O-CA 3.35Å; L285-G288 PolarHBondContact O-N 2.85Å; Q286-G288 VanDerWaalsContact C-N 3.26Å |
| 289 | I | 92.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | trans | -100.6 | 127.2 | -178.9 | -64.2 | 170.1 | 0 | 0 | 0 | 109.6 | H251 F261 A263 L284 R287 | H251-I289 VanDerWaalsContact NE2-CG1 3.29Å; H251-I289 WeakPolarHBondContact NE2-CG1 3.19Å; F261-I289 HydrophobicContact CD1-CD1 4.38Å; F261-I289 HydrophobicContact CD1-CG1 4.14Å; F261-I289 HydrophobicContact CD1-CG2 3.89Å; A263-I289 HydrophobicContact CB-CG2 3.64Å; L284-I289 HydrophobicContact CB-CB 4.29Å; L284-I289 HydrophobicContact CB-CG2 4.37Å; L284-I289 HydrophobicContact CD2-CD1 4.03Å; L284-I289 HydrophobicContact CD2-CG2 4.4Å; L284-I289 WeakPolarHBondContact O-CB 3.19Å; L284-I289 PolarHBondContact O-N 3.32Å; R287-I289 HydrophobicContact CB-CD1 4.05Å; R287-I289 HydrophobicContact CB-CG1 4.21Å; R287-I289 VanDerWaalsContact CZ-CD1 3.43Å | ||
| 290 | I | 90.1 | Very high | 85.9 | Confident | 39 Ų | 39 | 33.1 Ų | 33.1 | 20% | 0.2 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 135.9 | 170.7 | -63.8 | 160.6 | 0 | 0 | 0 | 108.6 | Y13 F261 T262 A263 | Y13-I290 HydrophobicContact CD1-CG2 4.14Å; Y13-I290 HydrophobicContact CE1-CG2 3.3Å; Y13-I290 HydrophobicContact CE2-CG2 4.02Å; Y13-I290 WeakPolarHBondContact OH-CG2 3.29Å; F261-I290 WeakPolarHBondContact O-CB 3.36Å; F261-I290 PolarHBondContact O-N 3.5Å; T262-I290 CarbonylContact C-O 3.48Å; T262-I290 WeakPolarHBondContact CA-O 3.49Å; T262-I290 HydrophobicContact CG2-CB 4.32Å; T262-I290 HydrophobicContact CG2-CG2 3.94Å; A263-I290 PolarHBondContact N-O 3.04Å |
| 291 | V | 87.5 | Confident | 85.3 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.7 | -177.8 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | Y13 A263 P266 L281 L284 L285 P293 | Y13-V291 WeakPolarHBondContact CB-O 3.42Å; Y13-V291 WeakPolarHBondContact CD2-O 3.42Å; A263-V291 HydrophobicContact CB-CG1 4.49Å; P266-V291 HydrophobicContact CB-CB 4.27Å; P266-V291 HydrophobicContact CB-CG1 4.31Å; P266-V291 HydrophobicContact CG-CB 4.38Å; L281-V291 HydrophobicContact CD2-CB 4.19Å; L281-V291 HydrophobicContact CD2-CG1 4.48Å; L281-V291 HydrophobicContact CD2-CG2 4.24Å; L284-V291 HydrophobicContact CB-CG1 3.36Å; L284-V291 HydrophobicContact CD1-CG1 3.63Å; L284-V291 HydrophobicContact CG-CG1 4.13Å; L285-V291 HydrophobicContact CD2-CG2 4.05Å; L285-V291 HydrophobicContact CG-CG2 4.21Å; V291-P293 VanDerWaalsContact C-CD 3.41Å; V291-P293 VanDerWaalsContact O-CD 3.28Å; V291-P293 WeakPolarHBondContact O-CD 3.32Å |
| 292 | I | 87.5 | Confident | 84.8 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 65.6 | 175.4 | 61.3 | 171.9 | 0 | 0 | 0 | 113.9 | Y13 L15 D119 Q238 T262 A263 K294 | Y13-I292 HydrophobicContact CD1-CG2 3.42Å; Y13-I292 VanDerWaalsContact CD1-CG2 3.42Å; Y13-I292 HydrophobicContact CE1-CG2 4.28Å; Y13-I292 HydrophobicContact CG-CG2 3.75Å; L15-I292 HydrophobicContact CD1-CD1 4.42Å; D119-I292 HydrophobicContact CB-CD1 3.93Å; D119-I292 HydrophobicContact CB-CG2 4.32Å; Q238-I292 HydrophobicContact CG-CD1 4.42Å; T262-I292 HydrophobicContact CG2-CD1 4.25Å; T262-I292 HydrophobicContact CG2-CG1 4.21Å; T262-I292 HydrophobicContact CG2-CG2 3.81Å; A263-I292 WeakPolarHBondContact O-CG1 3.45Å; A263-I292 PolarHBondContact O-N 2.82Å; I292-K294 PolarHBondContact O-N 3.4Å |
| 293 | P | 82.2 | Confident | 84.3 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.013 | 21% | 0.209 | C | C | . | . | trans | -64.7 | 130.6 | -176 | 27.1 | -36.1 | 0 | 0 | 0 | 113 | Y13 I14 P266 L281 V291 N304 | Y13-P293 WeakPolarHBondContact O-CD 3.25Å; Y13-P293 WeakPolarHBondContact O-CG 3.3Å; I14-P293 VanDerWaalsContact CA-O 3.24Å; I14-P293 WeakPolarHBondContact CA-O 3.29Å; I14-P293 WeakPolarHBondContact CB-O 3.38Å; I14-P293 VanDerWaalsContact CG1-O 3.28Å; I14-P293 WeakPolarHBondContact CG1-O 3.4Å; P266-P293 HydrophobicContact CG-CB 3.98Å; L281-P293 HydrophobicContact CD1-CB 4.08Å; L281-P293 HydrophobicContact CD1-CG 3.98Å; L281-P293 HydrophobicContact CD2-CB 3.95Å; L281-P293 HydrophobicContact CD2-CG 4.17Å; V291-P293 VanDerWaalsContact C-CD 3.41Å; V291-P293 VanDerWaalsContact O-CD 3.28Å; V291-P293 WeakPolarHBondContact O-CD 3.32Å; P293-N304 HydrophobicContact CG-CB 4.33Å | ||
| 294 | K | 75.9 | Confident | 83.3 | Confident | 87 Ų | 87 | 35.7 Ų | 35.7 | 38% | 0.378 | 21% | 0.211 | S | C | . | . | trans | -91.5 | 129.1 | -175.7 | 149.8 | 168.5 | -145 | -172 | 0 | 113.3 | L15 I16 I292 | L15-K294 HydrophobicContact CB-CB 4.14Å; L15-K294 HydrophobicContact CB-CD 4.33Å; L15-K294 CarbonylContact O-C 3.45Å; L15-K294 WeakPolarHBondContact O-CA 3.4Å; L15-K294 WeakPolarHBondContact O-CB 3.39Å; L15-K294 WeakPolarHBondContact O-CG 3.21Å; I16-K294 VanDerWaalsContact C-NZ 3.34Å; I16-K294 VanDerWaalsContact CA-CE 3.48Å; I16-K294 WeakPolarHBondContact O-CE 3.17Å; I16-K294 PolarHBondContact O-NZ 3.26Å; I292-K294 PolarHBondContact O-N 3.4Å | ||
| 295 | S | 73.9 | Confident | 82.3 | Confident | 11 Ų | 11 | 37.5 Ų | 37.5 | 8% | 0.077 | 22% | 0.222 | C | C | . | . | trans | -161 | 140.8 | 178.5 | -174.4 | 0 | 0 | 0 | 0 | 113.6 | I14 L15 I16 N297 H300 | I14-S295 WeakPolarHBondContact CG2-O 3.4Å; L15-S295 PolarHBondContact O-N 2.91Å; L15-S295 VanDerWaalsContact O-N 3.09Å; I16-S295 WeakPolarHBondContact CG1-O 3.38Å; S295-N297 PolarHBondContact OG-N 3.02Å; S295-N297 PolarHBondContact OG-O 3.05Å; S295-H300 VanDerWaalsContact OG-CB 3.31Å; S295-H300 WeakPolarHBondContact OG-CB 3.45Å | ||
| 296 | T | 71 | Confident | 81.6 | Confident | 33 Ų | 33 | 41.1 Ų | 41.1 | 20% | 0.202 | 24% | 0.238 | C | C | . | . | trans | -107.1 | -1.3 | 164.3 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | I16 K17 V98 T102 P298 | I16-T296 HydrophobicContact CB-CG2 3.86Å; I16-T296 HydrophobicContact CD1-CG2 4.22Å; I16-T296 HydrophobicContact CG1-CG2 3.62Å; I16-T296 HydrophobicContact CG2-CG2 3.27Å; K17-T296 HydrophobicContact CB-CG2 4.19Å; V98-T296 HydrophobicContact CG2-CG2 4.48Å; T102-T296 HydrophobicContact CG2-CG2 3.99Å; T296-P298 WeakPolarHBondContact O-CD 3.35Å | ||
| 297 | N | 77.6 | Confident | 80.8 | Confident | 62 Ų | 62 | 38.2 Ų | 38.2 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | trans | -88.8 | 116.1 | -176.2 | -178.6 | -12.1 | 0 | 0 | 0 | 109.2 | S295 S299 H300 I301 | S295-N297 PolarHBondContact OG-N 3.02Å; S295-N297 PolarHBondContact OG-O 3.05Å; N297-S299 PolarHBondContact ND2-OG 3.06Å; N297-S299 PolarHBondContact O-N 3.19Å; N297-S299 VanDerWaalsContact O-N 3.11Å; N297-S299 PolarHBondContact OD1-N 3.41Å; N297-S299 VanDerWaalsContact OD1-N 3.1Å; N297-S299 PolarHBondContact OD1-OG 3.06Å; N297-H300 HydrophobicContact CB-CB 4.1Å; N297-H300 PolarHBondContact ND2-NE2 3.11Å; N297-H300 PolarHBondContact O-N 3.5Å; N297-I301 VanDerWaalsContact O-CG1 3.24Å; N297-I301 WeakPolarHBondContact O-CG1 3.48Å; N297-I301 PolarHBondContact O-N 3.21Å | ||
| 298 | P | 79.6 | Confident | 79.8 | Confident | 69 Ų | 69 | 40.9 Ų | 40.9 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -50.8 | -35.7 | -179.8 | -29.6 | 37.2 | 0 | 0 | 0 | 115.1 | K109 T296 A302 | K109-P298 HydrophobicContact CG-CB 4.09Å; T296-P298 WeakPolarHBondContact O-CD 3.35Å; P298-A302 PolarHBondContact O-N 3.33Å |
| 299 | S | 83.4 | Confident | 79.3 | Confident | 71 Ų | 71 | 43.8 Ų | 43.8 | 50% | 0.497 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -71 | -41.8 | 178.8 | 64.5 | 0 | 0 | 0 | 0 | 112.1 | N297 I301 A302 S303 | N297-S299 PolarHBondContact ND2-OG 3.06Å; N297-S299 PolarHBondContact O-N 3.19Å; N297-S299 VanDerWaalsContact O-N 3.11Å; N297-S299 PolarHBondContact OD1-N 3.41Å; N297-S299 VanDerWaalsContact OD1-N 3.1Å; N297-S299 PolarHBondContact OD1-OG 3.06Å; S299-I301 VanDerWaalsContact C-N 3.34Å; S299-A302 PolarHBondContact O-N 3.36Å; S299-S303 WeakPolarHBondContact O-CB 3.37Å; S299-S303 PolarHBondContact O-N 2.98Å |
| 300 | H | 81.2 | Confident | 79.1 | Confident | 105 Ų | 105 | 46.7 Ų | 46.7 | 49% | 0.486 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.6 | -37.2 | 175 | -63.6 | -175 | 0 | 0 | 0 | 111.1 | S295 N297 A302 S303 N304 | S295-H300 VanDerWaalsContact OG-CB 3.31Å; S295-H300 WeakPolarHBondContact OG-CB 3.45Å; N297-H300 HydrophobicContact CB-CB 4.1Å; N297-H300 PolarHBondContact ND2-NE2 3.11Å; N297-H300 PolarHBondContact O-N 3.5Å; H300-A302 VanDerWaalsContact C-N 3.34Å; H300-S303 PolarHBondContact O-N 3.33Å; H300-N304 WeakPolarHBondContact O-CB 3.26Å; H300-N304 PolarHBondContact O-N 3.41Å; H300-N304 PolarHBondContact O-ND2 3.43Å; H300-N304 PolarHBondContact O-OD1 3.08Å |
| 301 | I | 77.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.2 | -49.7 | 174.9 | -64.3 | 170.6 | 0 | 0 | 0 | 109.4 | I14 A106 K109 V110 V113 N297 S299 N304 V305 | I14-I301 HydrophobicContact CD1-CB 3.93Å; I14-I301 HydrophobicContact CD1-CD1 4.43Å; I14-I301 HydrophobicContact CD1-CG1 3.51Å; I14-I301 HydrophobicContact CD1-CG2 3.81Å; A106-I301 HydrophobicContact CB-CD1 3.96Å; K109-I301 HydrophobicContact CB-CD1 4.37Å; K109-I301 HydrophobicContact CG-CB 4.38Å; K109-I301 HydrophobicContact CG-CD1 4.34Å; K109-I301 HydrophobicContact CG-CG2 4.08Å; V110-I301 HydrophobicContact CB-CG2 4.47Å; V110-I301 HydrophobicContact CG2-CD1 4.24Å; V110-I301 HydrophobicContact CG2-CG1 4.47Å; V110-I301 HydrophobicContact CG2-CG2 3.68Å; V113-I301 HydrophobicContact CG2-CG2 3.89Å; N297-I301 VanDerWaalsContact O-CG1 3.24Å; N297-I301 WeakPolarHBondContact O-CG1 3.48Å; N297-I301 PolarHBondContact O-N 3.21Å; S299-I301 VanDerWaalsContact C-N 3.34Å; I301-N304 PolarHBondContact O-N 2.89Å; I301-V305 WeakPolarHBondContact O-CG2 3.41Å |
| 302 | A | 79.7 | Confident | 79.3 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V113 P298 S299 H300 N304 V305 | V113-A302 HydrophobicContact CG1-CB 4.25Å; P298-A302 PolarHBondContact O-N 3.33Å; S299-A302 PolarHBondContact O-N 3.36Å; H300-A302 VanDerWaalsContact C-N 3.34Å; A302-N304 VanDerWaalsContact C-N 3.32Å; A302-N304 PolarHBondContact O-N 3.19Å; A302-V305 WeakPolarHBondContact O-CB 3.48Å; A302-V305 PolarHBondContact O-N 3.11Å |
| 303 | S | 79.3 | Confident | 79.8 | Confident | 40 Ų | 40 | 55.2 Ų | 55.2 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 112.9 | N278 S299 H300 V305 Q306 | N278-S303 PolarHBondContact ND2-O 3.17Å; N278-S303 PolarHBondContact OD1-O 3.22Å; N278-S303 PolarHBondContact OD1-OG 2.83Å; S299-S303 WeakPolarHBondContact O-CB 3.37Å; S299-S303 PolarHBondContact O-N 2.98Å; H300-S303 PolarHBondContact O-N 3.33Å; S303-V305 PolarHBondContact O-N 3.03Å; S303-Q306 PolarHBondContact O-N 3.48Å |
| 304 | N | 74 | Confident | 80.5 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.043 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -10.8 | -179.7 | -70.4 | -12.2 | 0 | 0 | 0 | 113.2 | L281 P293 H300 I301 A302 L307 | L281-N304 HydrophobicContact CD1-CB 4.27Å; P293-N304 HydrophobicContact CG-CB 4.33Å; H300-N304 WeakPolarHBondContact O-CB 3.26Å; H300-N304 PolarHBondContact O-N 3.41Å; H300-N304 PolarHBondContact O-ND2 3.43Å; H300-N304 PolarHBondContact O-OD1 3.08Å; I301-N304 PolarHBondContact O-N 2.89Å; A302-N304 VanDerWaalsContact C-N 3.32Å; A302-N304 PolarHBondContact O-N 3.19Å; N304-L307 WeakPolarHBondContact O-CD1 3.31Å; N304-L307 WeakPolarHBondContact O-CG 3.47Å |
| 305 | V | 71.7 | Confident | 81.5 | Confident | 39 Ų | 39 | 61.4 Ų | 61.4 | 24% | 0.236 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -27.5 | 175 | -179 | 0 | 0 | 0 | 0 | 111.6 | V12 V113 I301 A302 S303 L307 | V12-V305 HydrophobicContact CB-CG2 4.08Å; V12-V305 HydrophobicContact CG1-CG2 3.75Å; V12-V305 HydrophobicContact CG2-CB 3.79Å; V12-V305 HydrophobicContact CG2-CG1 3.8Å; V12-V305 HydrophobicContact CG2-CG2 3.71Å; V113-V305 HydrophobicContact CB-CG2 3.93Å; V113-V305 HydrophobicContact CG2-CG2 3.45Å; V113-V305 VanDerWaalsContact CG2-CG2 3.45Å; I301-V305 WeakPolarHBondContact O-CG2 3.41Å; A302-V305 WeakPolarHBondContact O-CB 3.48Å; A302-V305 PolarHBondContact O-N 3.11Å; S303-V305 PolarHBondContact O-N 3.03Å; V305-L307 PolarHBondContact O-N 3.39Å |
| 306 | Q | 72.9 | Confident | 82.6 | Confident | 113 Ų | 113 | 65.3 Ų | 65.3 | 53% | 0.528 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 66.2 | -179.5 | -63.1 | 175.9 | -23.3 | 0 | 0 | 110.4 | N278 S303 | N278-Q306 PolarHBondContact ND2-O 2.88Å; N278-Q306 VanDerWaalsContact ND2-O 3.1Å; S303-Q306 PolarHBondContact O-N 3.48Å |
| 307 | L | 76.8 | Confident | 83.8 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -13.5 | 178.2 | -59.5 | 177.7 | 0 | 0 | 0 | 112.9 | N278 L281 K282 L285 N304 V305 | N278-L307 HydrophobicContact CB-CD2 3.62Å; N278-L307 WeakPolarHBondContact O-CD2 2.97Å; L281-L307 HydrophobicContact CB-CD1 3.6Å; L281-L307 HydrophobicContact CB-CD2 3.86Å; L281-L307 HydrophobicContact CB-CG 4.42Å; L281-L307 HydrophobicContact CD1-CD1 3.95Å; L281-L307 HydrophobicContact CD1-CD2 4.3Å; L281-L307 HydrophobicContact CG-CD1 4.4Å; K282-L307 WeakPolarHBondContact CD-O 3.31Å; K282-L307 PolarHBondContact NZ-O 3.27Å; L285-L307 HydrophobicContact CD1-CB 3.82Å; L285-L307 HydrophobicContact CD1-CD1 3.66Å; L285-L307 HydrophobicContact CD1-CG 4.38Å; N304-L307 WeakPolarHBondContact O-CD1 3.31Å; N304-L307 WeakPolarHBondContact O-CG 3.47Å; V305-L307 PolarHBondContact O-N 3.39Å |
| 308 | F | 72.7 | Confident | 84.7 | Confident | 78 Ų | 78 | 68 Ų | 68 | 34% | 0.342 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -99 | -1.4 | -175.6 | -59.6 | -76.3 | 0 | 0 | 0 | 113.1 | N9 L285 | N9-F308 HydrophobicContact CB-CG 4.37Å; N9-F308 WeakPolarHBondContact O-CD2 3.34Å; N9-F308 WeakPolarHBondContact O-CE2 3.29Å; N9-F308 VanDerWaalsContact OD1-CD1 3.32Å; N9-F308 WeakPolarHBondContact OD1-CD1 3.47Å; L285-F308 HydrophobicContact CD1-CE1 4.45Å; L285-F308 HydrophobicContact CD1-CZ 4.38Å |
| 309 | D | 78.5 | Confident | 85.5 | Confident | 116 Ų | 116 | 67.6 Ų | 67.6 | 62% | 0.62 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -89.9 | -5.1 | -179.5 | 54.7 | -21.4 | 0 | 0 | 0 | 114.2 | ||
| 310 | F | 87.6 | Confident | 86.1 | Confident | 64 Ų | 64 | 65.6 Ų | 65.6 | 28% | 0.281 | 35% | 0.354 | S | S | . | . | trans | -145.1 | 168.8 | 174.8 | 72.9 | -79.2 | 0 | 0 | 0 | 111.6 | N278 K282 L312 | N278-F310 HydrophobicContact CB-CE1 4.33Å; N278-F310 HydrophobicContact CB-CZ 4.25Å; K282-F310 HydrophobicContact CB-CE1 4.43Å; K282-F310 HydrophobicContact CB-CE2 3.77Å; K282-F310 HydrophobicContact CB-CZ 3.53Å; K282-F310 WeakPolarHBondContact CE-O 3.43Å; K282-F310 HydrophobicContact CG-CD2 4.28Å; K282-F310 HydrophobicContact CG-CE2 3.64Å; K282-F310 HydrophobicContact CG-CZ 3.81Å; K282-F310 PolarHBondContact NZ-O 2.78Å; F310-L312 HydrophobicContact CE2-CD2 4.01Å; F310-L312 HydrophobicContact CE2-CG 4.4Å | ||
| 311 | E | 90.5 | Very high | 86.7 | Confident | 156 Ų | 156 | 63.1 Ų | 63.1 | 73% | 0.729 | 35% | 0.345 | S | S | * | . | trans | -133.5 | 145.2 | 170.1 | -66.1 | -170.1 | 157.2 | 0 | 0 | 110 | ||||
| 312 | L | 92.5 | Very high | 87.6 | Confident | 11 Ų | 11 | 66.5 Ų | 66.5 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | trans | -80.9 | 134 | 168.7 | -57.8 | 173.9 | 0 | 0 | 0 | 108.8 | I279 K282 W283 Q286 F310 E316 M317 L320 | I279-L312 HydrophobicContact CG1-CD2 4.47Å; I279-L312 HydrophobicContact CG2-CD1 4.26Å; I279-L312 HydrophobicContact CG2-CD2 4.01Å; K282-L312 HydrophobicContact CB-CD1 4.38Å; K282-L312 HydrophobicContact CG-CD1 4.26Å; K282-L312 HydrophobicContact CG-CG 4.02Å; W283-L312 HydrophobicContact CB-CD1 3.74Å; Q286-L312 PolarHBondContact NE2-O 3.14Å; Q286-L312 VanDerWaalsContact OE1-CB 3.3Å; F310-L312 HydrophobicContact CE2-CD2 4.01Å; F310-L312 HydrophobicContact CE2-CG 4.4Å; L312-E316 HydrophobicContact CB-CB 4.18Å; L312-M317 HydrophobicContact CB-CG 3.96Å; L312-M317 HydrophobicContact CB-SD 3.91Å; L312-M317 HydrophobicContact CD1-SD 3.83Å; L312-M317 HydrophobicContact CG-SD 4.5Å; L312-L320 HydrophobicContact CD1-CD1 3.87Å | ||
| 313 | S | 97 | Very high | 88.2 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | trans | -65.1 | 161.3 | 173.1 | 64 | 0 | 0 | 0 | 0 | 112.2 | A315 E316 M317 | S313-A315 PolarHBondContact O-N 2.92Å; S313-E316 WeakPolarHBondContact CB-OE2 3.35Å; S313-E316 PolarHBondContact N-OE2 2.89Å; S313-E316 PolarHBondContact O-N 3.26Å; S313-E316 VanDerWaalsContact O-N 3.07Å; S313-E316 VanDerWaalsContact OG-CD 3.29Å; S313-E316 VanDerWaalsContact OG-CG 3.31Å; S313-E316 WeakPolarHBondContact OG-CG 3.33Å; S313-E316 PolarHBondContact OG-N 3.2Å; S313-E316 PolarHBondContact OG-OE2 3.48Å; S313-M317 WeakPolarHBondContact O-CG 3.45Å; S313-M317 PolarHBondContact O-N 3.39Å | ||
| 314 | D | 97.3 | Very high | 88.8 | Confident | 147 Ų | 147 | 72.7 Ų | 72.7 | 79% | 0.786 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -55.6 | -36.1 | 175.1 | -70.8 | -20.9 | 0 | 0 | 0 | 112.6 | K318 | D314-K318 WeakPolarHBondContact O-CB 3.48Å; D314-K318 PolarHBondContact O-N 2.92Å |
| 315 | A | 97.5 | Very high | 89.5 | Confident | 73 Ų | 73 | 76.7 Ų | 76.7 | 60% | 0.603 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.5 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | S313 K318 A319 | S313-A315 PolarHBondContact O-N 2.92Å; A315-K318 PolarHBondContact O-N 3.24Å; A315-A319 WeakPolarHBondContact O-CB 3.44Å; A315-A319 PolarHBondContact O-N 3.07Å |
| 316 | E | 96.1 | Very high | 90.4 | Very high | 93 Ų | 93 | 80.1 Ų | 80.1 | 44% | 0.435 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.2 | -44.2 | 176.6 | -70.6 | 162.6 | 137.6 | 0 | 0 | 111.5 | L312 S313 K318 A319 L320 | L312-E316 HydrophobicContact CB-CB 4.18Å; S313-E316 WeakPolarHBondContact CB-OE2 3.35Å; S313-E316 PolarHBondContact N-OE2 2.89Å; S313-E316 PolarHBondContact O-N 3.26Å; S313-E316 VanDerWaalsContact O-N 3.07Å; S313-E316 VanDerWaalsContact OG-CD 3.29Å; S313-E316 VanDerWaalsContact OG-CG 3.31Å; S313-E316 WeakPolarHBondContact OG-CG 3.33Å; S313-E316 PolarHBondContact OG-N 3.2Å; S313-E316 PolarHBondContact OG-OE2 3.48Å; E316-K318 VanDerWaalsContact C-N 3.3Å; E316-K318 PolarHBondContact O-N 3.03Å; E316-A319 PolarHBondContact O-N 3.39Å; E316-L320 WeakPolarHBondContact O-CG 2.81Å; E316-L320 PolarHBondContact O-N 3.28Å |
| 317 | M | 97 | Very high | 91.1 | Very high | 23 Ų | 23 | 78.9 Ų | 78.9 | 11% | 0.113 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 173.9 | -71.1 | -65 | -72.1 | 0 | 0 | 111.1 | W283 Q286 R287 L312 S313 L320 N321 | W283-M317 HydrophobicContact CB-SD 4.49Å; W283-M317 HydrophobicContact CG-SD 4.5Å; Q286-M317 HydrophobicContact CB-CE 3.57Å; Q286-M317 HydrophobicContact CB-SD 3.94Å; R287-M317 HydrophobicContact CG-CE 4Å; L312-M317 HydrophobicContact CB-CG 3.96Å; L312-M317 HydrophobicContact CB-SD 3.91Å; L312-M317 HydrophobicContact CD1-SD 3.83Å; L312-M317 HydrophobicContact CG-SD 4.5Å; S313-M317 WeakPolarHBondContact O-CG 3.45Å; S313-M317 PolarHBondContact O-N 3.39Å; M317-L320 PolarHBondContact O-N 3.43Å; M317-N321 WeakPolarHBondContact O-CB 3.07Å; M317-N321 PolarHBondContact O-N 3.33Å; M317-N321 PolarHBondContact O-ND2 3.24Å |
| 318 | K | 97.1 | Very high | 91.7 | Very high | 128 Ų | 128 | 81.8 Ų | 81.8 | 56% | 0.557 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63 | -46.5 | 175.5 | -174 | 179.3 | -173.5 | -57.8 | 0 | 111.7 | D314 A315 E316 L320 N321 D322 | D314-K318 WeakPolarHBondContact O-CB 3.48Å; D314-K318 PolarHBondContact O-N 2.92Å; A315-K318 PolarHBondContact O-N 3.24Å; E316-K318 VanDerWaalsContact C-N 3.3Å; E316-K318 PolarHBondContact O-N 3.03Å; K318-L320 VanDerWaalsContact C-N 3.32Å; K318-L320 PolarHBondContact O-N 3.16Å; K318-N321 PolarHBondContact O-N 3.24Å; K318-D322 IonicContact NZ-OD2 2.65Å; K318-D322 PolarHBondContact NZ-OD2 3.14Å; K318-D322 WeakPolarHBondContact O-CB 2.97Å; K318-D322 PolarHBondContact O-N 3.47Å |
| 319 | A | 95.9 | Very high | 92.2 | Very high | 61 Ų | 61 | 80.2 Ų | 80.2 | 50% | 0.504 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59 | -42.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A315 E316 D322 V323 | A315-A319 WeakPolarHBondContact O-CB 3.44Å; A315-A319 PolarHBondContact O-N 3.07Å; E316-A319 PolarHBondContact O-N 3.39Å; A319-D322 PolarHBondContact O-N 3.06Å; A319-V323 PolarHBondContact O-N 3.16Å |
| 320 | L | 94.5 | Very high | 92.3 | Very high | 29 Ų | 29 | 77.5 Ų | 77.5 | 15% | 0.152 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 176.5 | -67.7 | 171.2 | 0 | 0 | 0 | 112.3 | L243 I279 L280 W283 L312 E316 M317 K318 D322 V323 | L243-L320 HydrophobicContact CD1-CB 4.15Å; L243-L320 HydrophobicContact CD1-CD2 3.86Å; L243-L320 WeakPolarHBondContact CD1-O 3.39Å; I279-L320 HydrophobicContact CG2-CD1 4.05Å; L280-L320 HydrophobicContact CD2-CD2 4.44Å; W283-L320 HydrophobicContact CB-CD1 3.64Å; W283-L320 HydrophobicContact CD2-CB 4.41Å; W283-L320 HydrophobicContact CG-CB 4.11Å; W283-L320 HydrophobicContact CG-CD1 3.69Å; L312-L320 HydrophobicContact CD1-CD1 3.87Å; E316-L320 WeakPolarHBondContact O-CG 2.81Å; E316-L320 PolarHBondContact O-N 3.28Å; M317-L320 PolarHBondContact O-N 3.43Å; K318-L320 VanDerWaalsContact C-N 3.32Å; K318-L320 PolarHBondContact O-N 3.16Å; L320-D322 VanDerWaalsContact C-N 3.31Å; L320-D322 PolarHBondContact O-N 2.87Å; L320-V323 WeakPolarHBondContact O-CG2 3.36Å |
| 321 | N | 95.2 | Very high | 91.7 | Very high | 53 Ų | 53 | 84.9 Ų | 84.9 | 28% | 0.283 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.5 | -33.7 | 176 | -70.5 | -20.8 | 0 | 0 | 0 | 112.6 | F248 W283 M317 K318 V323 | F248-N321 HydrophobicContact CE1-CB 4.46Å; F248-N321 HydrophobicContact CZ-CB 4.02Å; W283-N321 PolarHBondContact NE1-OD1 2.66Å; M317-N321 WeakPolarHBondContact O-CB 3.07Å; M317-N321 PolarHBondContact O-N 3.33Å; M317-N321 PolarHBondContact O-ND2 3.24Å; K318-N321 PolarHBondContact O-N 3.24Å; N321-V323 VanDerWaalsContact C-N 3.33Å; N321-V323 PolarHBondContact O-N 3.11Å |
| 322 | D | 95.9 | Very high | 90.4 | Very high | 70 Ų | 70 | 84.7 Ų | 84.7 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -78.6 | -11.7 | -176.9 | -80.9 | -27.7 | 0 | 0 | 0 | 114.4 | K318 A319 L320 K324 | K318-D322 IonicContact NZ-OD2 2.65Å; K318-D322 PolarHBondContact NZ-OD2 3.14Å; K318-D322 WeakPolarHBondContact O-CB 2.97Å; K318-D322 PolarHBondContact O-N 3.47Å; A319-D322 PolarHBondContact O-N 3.06Å; L320-D322 VanDerWaalsContact C-N 3.31Å; L320-D322 PolarHBondContact O-N 2.87Å; D322-K324 VanDerWaalsContact O-CD 3.3Å; D322-K324 WeakPolarHBondContact O-CD 3.48Å; D322-K324 WeakPolarHBondContact O-CE 3.43Å; D322-K324 WeakPolarHBondContact O-CG 3.4Å; D322-K324 PolarHBondContact O-N 3.14Å; D322-K324 VanDerWaalsContact O-N 3.11Å |
| 323 | V | 92.4 | Very high | 90.3 | Very high | 39 Ų | 39 | 88.4 Ų | 88.4 | 24% | 0.236 | 44% | 0.437 | C | S | . | . | trans | -49.4 | 121.5 | 172.2 | 172.4 | 0 | 0 | 0 | 0 | 108.7 | L243 Y244 A319 L320 N321 I325 R326 | L243-V323 HydrophobicContact CD1-CB 4.31Å; L243-V323 HydrophobicContact CD1-CG2 3.99Å; L243-V323 HydrophobicContact CD2-CG2 4.4Å; L243-V323 HydrophobicContact CG-CB 4.49Å; L243-V323 HydrophobicContact CG-CG1 4.3Å; L243-V323 HydrophobicContact CG-CG2 4.33Å; Y244-V323 HydrophobicContact CD1-CG1 3.96Å; Y244-V323 HydrophobicContact CE1-CG1 3.88Å; A319-V323 PolarHBondContact O-N 3.16Å; L320-V323 WeakPolarHBondContact O-CG2 3.36Å; N321-V323 VanDerWaalsContact C-N 3.33Å; N321-V323 PolarHBondContact O-N 3.11Å; V323-I325 HydrophobicContact CG1-CB 4.36Å; V323-R326 PolarHBondContact O-NH1 2.79Å; V323-R326 PolarHBondContact O-NH2 3.28Å | ||
| 324 | K | 91.5 | Very high | 89.9 | Confident | 164 Ų | 164 | 90.1 Ų | 90.1 | 71% | 0.713 | 44% | 0.44 | S | S | * | . | trans | -88.4 | -13.6 | -172.2 | -60.4 | -59.4 | 178.7 | -168.2 | 0 | 114.6 | D322 R326 | D322-K324 VanDerWaalsContact O-CD 3.3Å; D322-K324 WeakPolarHBondContact O-CD 3.48Å; D322-K324 WeakPolarHBondContact O-CE 3.43Å; D322-K324 WeakPolarHBondContact O-CG 3.4Å; D322-K324 PolarHBondContact O-N 3.14Å; D322-K324 VanDerWaalsContact O-N 3.11Å; K324-R326 PolarHBondContact O-N 2.88Å | ||
| 325 | I | 88.5 | Confident | 89.5 | Confident | 93 Ų | 93 | 86.9 Ų | 86.9 | 48% | 0.477 | 42% | 0.421 | S | S | . | . | trans | -65.2 | 126.4 | 179.2 | -58.7 | 174.5 | 0 | 0 | 0 | 109.2 | Y244 V323 | Y244-I325 HydrophobicContact CD1-CB 3.72Å; Y244-I325 HydrophobicContact CD1-CD1 4.49Å; Y244-I325 HydrophobicContact CD1-CG2 3.82Å; Y244-I325 HydrophobicContact CD2-CG2 4.37Å; Y244-I325 HydrophobicContact CE1-CB 4.07Å; Y244-I325 HydrophobicContact CE1-CD1 3.99Å; Y244-I325 HydrophobicContact CE1-CG2 4.32Å; Y244-I325 HydrophobicContact CG-CB 4.27Å; Y244-I325 HydrophobicContact CG-CG2 3.86Å; V323-I325 HydrophobicContact CG1-CB 4.36Å | ||
| 326 | R | 91 | Very high | 89.1 | Confident | 110 Ų | 110 | 87.7 Ų | 87.7 | 42% | 0.415 | 41% | 0.41 | S | S | . | . | trans | -124.7 | 106.4 | 176.1 | -61.1 | -66 | 173.6 | -103.5 | -2 | 109.7 | Y244 V323 K324 | Y244-R326 CarbonylContact O-C 3.38Å; Y244-R326 WeakPolarHBondContact O-CA 3.48Å; V323-R326 PolarHBondContact O-NH1 2.79Å; V323-R326 PolarHBondContact O-NH2 3.28Å; K324-R326 PolarHBondContact O-N 2.88Å | ||
| 327 | Q | 87.8 | Confident | 88.6 | Confident | 88 Ų | 88 | 87.4 Ų | 87.4 | 41% | 0.411 | 41% | 0.408 | S | S | . | . | trans | -142.3 | 113.5 | -178.9 | -177.2 | -178.8 | 19 | 0 | 0 | 110.4 | H242 Y244 | H242-Q327 PolarHBondContact CE1-O 3.43Å; Y244-Q327 PolarHBondContact O-N 3.02Å | ||
| 328 | Q | 89.5 | Confident | 88.1 | Confident | 66 Ų | 66 | 91.7 Ų | 91.7 | 31% | 0.308 | 43% | 0.428 | S | S | . | . | trans | -82.1 | 127.3 | 165.8 | -166.7 | 178.9 | 11.5 | 0 | 0 | 109.6 | E240 W245 F330 | E240-Q328 WeakPolarHBondContact OE2-CG 3.18Å; W245-Q328 HydrophobicContact CD2-CB 3.68Å; W245-Q328 HydrophobicContact CD2-CG 4.15Å; W245-Q328 HydrophobicContact CE3-CB 3.86Å; W245-Q328 HydrophobicContact CG-CB 4.22Å; W245-Q328 HydrophobicContact CG-CG 4.39Å; W245-Q328 HydrophobicContact CH2-CB 4.13Å; W245-Q328 HydrophobicContact CZ2-CB 3.97Å; W245-Q328 HydrophobicContact CZ2-CG 4.2Å; W245-Q328 HydrophobicContact CZ3-CB 4.08Å; Q328-F330 WeakPolarHBondContact CG-O 3.2Å; Q328-F330 PolarHBondContact NE2-O 3.28Å | ||
| 329 | N | 83.4 | Confident | 87.4 | Confident | 45 Ų | 45 | 89.1 Ų | 89.1 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -90.3 | -30.2 | 177.4 | -52.5 | -68 | 0 | 0 | 0 | 112.2 | E240 H242 R272 | E240-N329 VanDerWaalsContact CD-N 3.34Å; E240-N329 WeakPolarHBondContact OE1-CA 3.16Å; E240-N329 WeakPolarHBondContact OE1-CB 3.35Å; E240-N329 PolarHBondContact OE1-N 2.84Å; E240-N329 PolarHBondContact OE1-ND2 2.98Å; E240-N329 PolarHBondContact OE2-N 3.4Å; H242-N329 PolarHBondContact NE2-ND2 3.16Å; R272-N329 PolarHBondContact NH2-OD1 2.85Å |
| 330 | F | 81.1 | Confident | 86.8 | Confident | 58 Ų | 58 | 91.2 Ų | 91.2 | 25% | 0.254 | 41% | 0.412 | S | S | . | . | trans | -113.5 | 107.1 | -177.1 | -57.3 | -86.6 | 0 | 0 | 0 | 110.3 | E240 Y264 A265 Q328 F332 | E240-F330 HydrophobicContact CG-CD2 4.32Å; E240-F330 PolarHBondContact OE2-N 3.35Å; Y264-F330 HydrophobicContact CE2-CB 4.28Å; Y264-F330 AromaticContact CE2-CD2 3.68Å; Y264-F330 HydrophobicContact CE2-CD2 3.68Å; Y264-F330 HydrophobicContact CE2-CE2 4.22Å; Y264-F330 HydrophobicContact CE2-CG 4.03Å; A265-F330 HydrophobicContact CB-CD2 4.3Å; A265-F330 HydrophobicContact CB-CE2 3.56Å; A265-F330 HydrophobicContact CB-CZ 4.35Å; Q328-F330 WeakPolarHBondContact CG-O 3.2Å; Q328-F330 PolarHBondContact NE2-O 3.28Å; F330-F332 HydrophobicContact CB-CD2 4.47Å; F330-F332 HydrophobicContact CB-CE2 3.86Å; F330-F332 HydrophobicContact CB-CZ 4.39Å | ||
| 331 | R | 73.1 | Confident | 86.1 | Confident | 219 Ų | 219 | 96.4 Ų | 96.4 | 83% | 0.826 | 43% | 0.434 | S | S | * | . | trans | -97.1 | 117.7 | 176.8 | -61.3 | -177.6 | -178.9 | -166.8 | -1.7 | 109 | ||||
| 332 | F | 64.1 | Low | 85.3 | Confident | 152 Ų | 152 | 100.4 Ų | 100.4 | 67% | 0.667 | 45% | 0.448 | S | S | * | . | trans | -107.6 | 0 | 176.2 | -68.9 | -70.3 | 0 | 0 | 0 | 111.7 | N217 Y264 F330 | N217-F332 HydrophobicContact CB-CB 4.37Å; N217-F332 HydrophobicContact CB-CD2 4Å; N217-F332 HydrophobicContact CB-CG 4.31Å; N217-F332 VanDerWaalsContact CG-CD2 3.42Å; N217-F332 VanDerWaalsContact OD1-CD2 3.3Å; N217-F332 WeakPolarHBondContact OD1-CD2 3.38Å; N217-F332 WeakPolarHBondContact OD1-CE2 3.31Å; Y264-F332 AromaticContact CZ-CE2 4Å; Y264-F332 VanDerWaalsContact OH-CE2 3.28Å; Y264-F332 WeakPolarHBondContact OH-CE2 3.5Å; F330-F332 HydrophobicContact CB-CD2 4.47Å; F330-F332 HydrophobicContact CB-CE2 3.86Å; F330-F332 HydrophobicContact CB-CZ 4.39Å |
Retrieved 332 of 332 residues in 155.3 ms
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