| 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 | 40.7 | Very low | 39.5 | Very low | 218 Ų | 218 | 150.5 Ų | 150.5 | 100% | 1.074 | 78% | 0.777 | S | S | * | * | 0 | 88.2 | 0 | -83.7 | -172.7 | -177.6 | 0 | 0 | 105.1 | Y3 | M1-Y3 PolarHBondContact O-N 3.06Š| |||
| 2 | D | 34.7 | Very low | 39.6 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -88.9 | 108.3 | -168.7 | -60.8 | -25 | 0 | 0 | 0 | 108.9 | Q4 | D2-Q4 PolarHBondContact O-N 3.43Š| ||
| 3 | Y | 39 | Very low | 39.4 | Very low | 215 Ų | 215 | 148.1 Ų | 148.1 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -83.6 | 96.3 | 167.6 | -78.7 | -86.4 | 0 | 0 | 0 | 108.5 | M1 | M1-Y3 PolarHBondContact O-N 3.06Š| ||
| 4 | Q | 38.2 | Very low | 39.4 | Very low | 177 Ų | 177 | 152 Ų | 152 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -89.7 | 101.1 | 163.3 | -84.1 | 175.1 | -40.6 | 0 | 0 | 109.1 | D2 | D2-Q4 PolarHBondContact O-N 3.43Š| ||
| 5 | V | 45.8 | Very low | 39.8 | Very low | 143 Ų | 143 | 156.2 Ų | 156.2 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -94.7 | 96.7 | 158.5 | 180 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 6 | S | 43 | Very low | 40.1 | Very low | 104 Ų | 104 | 154.1 Ų | 154.1 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -123.8 | 101.2 | 171.3 | 59.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 7 | S | 38.8 | Very low | 40.6 | Very low | 82 Ų | 82 | 151.6 Ų | 151.6 | 57% | 0.573 | 77% | 0.772 | S | S | * | * | trans | -156.9 | 113 | 155 | -173 | 0 | 0 | 0 | 0 | 109.1 | I9 | S7-I9 VanDerWaalsContact C-N 3.3Å; S7-I9 PolarHBondContact OG-N 3.09Å | ||
| 8 | P | 42.5 | Very low | 41.1 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | trans | -97.4 | 62.8 | 158.5 | 36.7 | -25.3 | 0 | 0 | 0 | 107.8 | Y10 | P8-Y10 HydrophobicContact CB-CE2 4.3Å; P8-Y10 PolarHBondContact O-N 3.25Å | ||
| 9 | I | 38.2 | Very low | 42.1 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 65% | 0.646 | 77% | 0.774 | S | S | * | * | trans | -86 | 100.9 | 153.7 | -66.4 | 174.9 | 0 | 0 | 0 | 104.2 | S7 D11 | S7-I9 VanDerWaalsContact C-N 3.3Å; S7-I9 PolarHBondContact OG-N 3.09Å; I9-D11 PolarHBondContact O-N 3.36Å | ||
| 10 | Y | 38.7 | Very low | 43.4 | Very low | 206 Ų | 206 | 145.8 Ų | 145.8 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | -66.1 | 89.1 | 169.1 | -71.7 | -85.6 | 0 | 0 | 0 | 107.6 | P8 I12 | P8-Y10 HydrophobicContact CB-CE2 4.3Å; P8-Y10 PolarHBondContact O-N 3.25Å; Y10-I12 PolarHBondContact O-N 3.42Å | ||
| 11 | D | 34.8 | Very low | 44.3 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | trans | -62.6 | 105.7 | 161.3 | -84.6 | -27.8 | 0 | 0 | 0 | 106.7 | I9 N13 | I9-D11 PolarHBondContact O-N 3.36Å; D11-N13 PolarHBondContact O-N 3.49Å | ||
| 12 | I | 40.2 | Very low | 45.6 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | -70.2 | 77 | 165.7 | -54.8 | 176 | 0 | 0 | 0 | 106 | Y10 Y14 | Y10-I12 PolarHBondContact O-N 3.42Å; I12-Y14 VanDerWaalsContact C-N 3.3Å; I12-Y14 HydrophobicContact CG2-CD2 3.85Å; I12-Y14 HydrophobicContact CG2-CE2 4.05Å; I12-Y14 PolarHBondContact O-N 3.11Å | ||
| 13 | N | 38.1 | Very low | 47.1 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 68% | 0.679 | 70% | 0.696 | S | S | * | * | trans | -72.7 | 85.2 | 174.8 | -85 | -42.6 | 0 | 0 | 0 | 109 | D11 Y15 | D11-N13 PolarHBondContact O-N 3.49Å; N13-Y15 PolarHBondContact O-N 2.91Å | ||
| 14 | Y | 38.3 | Very low | 48.5 | Very low | 203 Ų | 203 | 131.9 Ų | 131.9 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | trans | -72.5 | 105.2 | 152.5 | -91 | -90 | 0 | 0 | 0 | 107.4 | I12 T16 | I12-Y14 VanDerWaalsContact C-N 3.3Å; I12-Y14 HydrophobicContact CG2-CD2 3.85Å; I12-Y14 HydrophobicContact CG2-CE2 4.05Å; I12-Y14 PolarHBondContact O-N 3.11Å; Y14-T16 PolarHBondContact O-N 3.14Å | ||
| 15 | Y | 45.4 | Very low | 50 | Low | 215 Ų | 215 | 124.7 Ų | 124.7 | 84% | 0.843 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -50.5 | 126.9 | 162.3 | -107.4 | -106.6 | 0 | 0 | 0 | 108.5 | N13 | N13-Y15 PolarHBondContact O-N 2.91Š|
| 16 | T | 46 | Very low | 51.3 | Low | 122 Ų | 122 | 123.5 Ų | 123.5 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 94.8 | 114.9 | 177.7 | 70.3 | 0 | 0 | 0 | 0 | 117.6 | Y14 | Y14-T16 PolarHBondContact O-N 3.14Š|
| 17 | S | 47 | Very low | 53 | Low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 63% | 0.629 | S | S | * | * | trans | 69.9 | 82.7 | 162.1 | -25.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 18 | E | 50.3 | Low | 54.9 | Low | 181 Ų | 181 | 125.6 Ų | 125.6 | 85% | 0.846 | 63% | 0.63 | S | S | * | * | trans | -54.6 | 128.2 | 160.8 | -73.6 | -175.1 | 169.5 | 0 | 0 | 109.4 | C20 | E18-C20 PolarHBondContact O-N 2.9Š| ||
| 19 | P | 61 | Low | 56.7 | Low | 112 Ų | 112 | 121.2 Ų | 121.2 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | trans | -60.3 | 124 | 175.1 | 21.2 | -29.2 | 0 | 0 | 0 | 109.4 | Q21 | P19-Q21 PolarHBondContact O-N 2.96Š| ||
| 20 | C | 66.4 | Low | 58.8 | Low | 45 Ų | 45 | 116.6 Ų | 116.6 | 30% | 0.304 | 58% | 0.583 | S | S | . | * | trans | -49.7 | 107 | -178.1 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | E18 K22 C269 | E18-C20 PolarHBondContact O-N 2.9Å; C20-K22 PolarHBondContact O-N 3.3Å; C20-C269 HydrophobicContact CB-CB 4.03Å; C20-C269 WeakPolarHBondContact CB-SG 3.44Å; C20-C269 WeakPolarHBondContact SG-CB 3.16Å; C20-C269 CovalentContact SG-SG 2.06Å; C20-C269 PolarHBondContact SG-SG 3.23Å | ||
| 21 | Q | 64.1 | Low | 61.1 | Low | 149 Ų | 149 | 116.6 Ų | 116.6 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | trans | -75.2 | 117.6 | -173.6 | -71.9 | -166.4 | -12.9 | 0 | 0 | 111.6 | P19 I23 | P19-Q21 PolarHBondContact O-N 2.96Å; Q21-I23 HydrophobicContact CB-CD1 4.35Å; Q21-I23 HydrophobicContact CB-CG1 4.38Å | ||
| 22 | K | 67.3 | Low | 63.5 | Low | 84 Ų | 84 | 116.5 Ų | 116.5 | 37% | 0.365 | 58% | 0.581 | S | S | . | * | trans | -104.6 | 31.2 | -176.7 | -55.8 | -179.6 | -168.6 | 173.2 | 0 | 113.9 | C20 N24 V25 K26 D276 | C20-K22 PolarHBondContact O-N 3.3Å; K22-N24 PolarHBondContact O-N 3.42Å; K22-V25 PolarHBondContact O-N 3.41Å; K22-K26 PolarHBondContact O-N 3.28Å; K22-D276 WeakPolarHBondContact CE-OD2 3.48Å; K22-D276 VanDerWaalsContact NZ-CG 3.25Å; K22-D276 IonicContact NZ-OD1 3.85Å; K22-D276 PolarHBondContact NZ-OD1 3.43Å; K22-D276 IonicContact NZ-OD2 2.79Å; K22-D276 PolarHBondContact NZ-OD2 3.41Å | ||
| 23 | I | 65.6 | Low | 65.8 | Low | 92 Ų | 92 | 110.1 Ų | 110.1 | 47% | 0.472 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59 | -44.7 | -166.4 | -60.3 | 170 | 0 | 0 | 0 | 112.6 | Q21 V25 Q27 | Q21-I23 HydrophobicContact CB-CD1 4.35Å; Q21-I23 HydrophobicContact CB-CG1 4.38Å; I23-V25 VanDerWaalsContact C-N 3.34Å; I23-V25 PolarHBondContact O-N 3.47Å; I23-Q27 PolarHBondContact O-N 3.21Å |
| 24 | N | 67.9 | Low | 68.3 | Low | 120 Ų | 120 | 105.1 Ų | 105.1 | 64% | 0.642 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.6 | -33.1 | -176.2 | -67.7 | -12.3 | 0 | 0 | 0 | 113.2 | K22 I28 | K22-N24 PolarHBondContact O-N 3.42Å; N24-I28 WeakPolarHBondContact O-CG1 3.35Å; N24-I28 PolarHBondContact O-N 3.09Å |
| 25 | V | 70.8 | Confident | 70.9 | Confident | 27 Ų | 27 | 99.5 Ų | 99.5 | 16% | 0.164 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -71.6 | -44.4 | -177.3 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | K22 I23 Q27 I28 A29 Q277 | K22-V25 PolarHBondContact O-N 3.41Å; I23-V25 VanDerWaalsContact C-N 3.34Å; I23-V25 PolarHBondContact O-N 3.47Å; V25-Q27 VanDerWaalsContact C-N 3.32Å; V25-Q27 PolarHBondContact O-N 3.11Å; V25-I28 PolarHBondContact O-N 3.15Å; V25-A29 VanDerWaalsContact O-CB 3.28Å; V25-A29 WeakPolarHBondContact O-CB 3.36Å; V25-A29 PolarHBondContact O-N 3.04Å; V25-Q277 HydrophobicContact CB-CG 4.2Å; V25-Q277 HydrophobicContact CG1-CG 3.65Å; V25-Q277 HydrophobicContact CG2-CG 3.45Å; V25-Q277 VanDerWaalsContact CG2-CG 3.45Å |
| 26 | K | 72.7 | Confident | 73 | Confident | 118 Ų | 118 | 92.3 Ų | 92.3 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | -180 | -167.7 | 177.5 | 179.4 | -177 | 0 | 111.5 | K22 A30 | K22-K26 PolarHBondContact O-N 3.28Å; K26-A30 VanDerWaalsContact O-CB 3.27Å; K26-A30 WeakPolarHBondContact O-CB 3.42Å; K26-A30 PolarHBondContact O-N 3.44Å |
| 27 | Q | 78.7 | Confident | 75.2 | Confident | 113 Ų | 113 | 86.8 Ų | 86.8 | 53% | 0.528 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 179.2 | -70.5 | 179.8 | -4.4 | 0 | 0 | 113.2 | I23 V25 A30 R31 | I23-Q27 PolarHBondContact O-N 3.21Å; V25-Q27 VanDerWaalsContact C-N 3.32Å; V25-Q27 PolarHBondContact O-N 3.11Å; Q27-A30 PolarHBondContact O-N 3.28Å; Q27-R31 PolarHBondContact O-N 3.15Å |
| 28 | I | 78.9 | Confident | 77.4 | Confident | 116 Ų | 116 | 84.2 Ų | 84.2 | 60% | 0.595 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.6 | -45.6 | 176.2 | -66.5 | 169.1 | 0 | 0 | 0 | 110 | N24 V25 A30 R31 L32 | N24-I28 WeakPolarHBondContact O-CG1 3.35Å; N24-I28 PolarHBondContact O-N 3.09Å; V25-I28 PolarHBondContact O-N 3.15Å; I28-A30 VanDerWaalsContact C-N 3.33Å; I28-A30 PolarHBondContact O-N 3.31Å; I28-R31 PolarHBondContact O-N 3.06Å; I28-L32 PolarHBondContact O-N 3.01Å |
| 29 | A | 79.3 | Confident | 79.4 | Confident | 17 Ų | 17 | 79.8 Ų | 79.8 | 14% | 0.14 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V25 R31 L32 L33 Q280 | V25-A29 VanDerWaalsContact O-CB 3.28Å; V25-A29 WeakPolarHBondContact O-CB 3.36Å; V25-A29 PolarHBondContact O-N 3.04Å; A29-R31 PolarHBondContact O-N 2.85Å; A29-L32 PolarHBondContact O-N 2.84Å; A29-L33 HydrophobicContact CB-CD1 3.77Å; A29-L33 HydrophobicContact CB-CG 4.25Å; A29-L33 VanDerWaalsContact O-CB 3.25Å; A29-L33 WeakPolarHBondContact O-CB 3.29Å; A29-L33 VanDerWaalsContact O-CG 3.23Å; A29-L33 WeakPolarHBondContact O-CG 3.35Å; A29-L33 PolarHBondContact O-N 3.38Å; A29-Q280 HydrophobicContact CB-CG 4.45Å |
| 30 | A | 82.8 | Confident | 80.9 | Confident | 29 Ų | 29 | 74.8 Ų | 74.8 | 24% | 0.24 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.7 | -25.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K26 Q27 I28 P34 A90 | K26-A30 VanDerWaalsContact O-CB 3.27Å; K26-A30 WeakPolarHBondContact O-CB 3.42Å; K26-A30 PolarHBondContact O-N 3.44Å; Q27-A30 PolarHBondContact O-N 3.28Å; I28-A30 VanDerWaalsContact C-N 3.33Å; I28-A30 PolarHBondContact O-N 3.31Å; A30-P34 VanDerWaalsContact O-CD 3.28Å; A30-P34 WeakPolarHBondContact O-CD 3.23Å; A30-P34 VanDerWaalsContact O-CG 3.29Å; A30-P34 WeakPolarHBondContact O-CG 3.14Å; A30-A90 VanDerWaalsContact CA-O 3.22Å; A30-A90 WeakPolarHBondContact CA-O 3.34Å; A30-A90 WeakPolarHBondContact CB-O 3.34Å |
| 31 | R | 86.6 | Confident | 82.2 | Confident | 207 Ų | 207 | 75.5 Ų | 75.5 | 78% | 0.781 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -87.7 | -36.8 | 176.3 | -67.9 | -179.2 | -177.3 | -174.5 | 1.7 | 112.9 | Q27 I28 A29 P35 | Q27-R31 PolarHBondContact O-N 3.15Å; I28-R31 PolarHBondContact O-N 3.06Å; A29-R31 PolarHBondContact O-N 2.85Å; R31-P35 WeakPolarHBondContact O-CD 3.39Å |
| 32 | L | 86.9 | Confident | 83.7 | Confident | 115 Ų | 115 | 73 Ų | 73 | 60% | 0.602 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -91 | -39.3 | -171.5 | -171.1 | 69 | 0 | 0 | 0 | 113.5 | I28 A29 L36 | I28-L32 PolarHBondContact O-N 3.01Å; A29-L32 PolarHBondContact O-N 2.84Å; L32-L36 WeakPolarHBondContact O-CB 3.36Å; L32-L36 PolarHBondContact O-N 3.14Å |
| 33 | L | 87.6 | Confident | 84.9 | Confident | 9 Ų | 9 | 74.8 Ų | 74.8 | 5% | 0.047 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.1 | -44.3 | -173.2 | -63 | 177.6 | 0 | 0 | 0 | 113.5 | A29 L36 Y37 A90 Q280 T284 | A29-L33 HydrophobicContact CB-CD1 3.77Å; A29-L33 HydrophobicContact CB-CG 4.25Å; A29-L33 VanDerWaalsContact O-CB 3.25Å; A29-L33 WeakPolarHBondContact O-CB 3.29Å; A29-L33 VanDerWaalsContact O-CG 3.23Å; A29-L33 WeakPolarHBondContact O-CG 3.35Å; A29-L33 PolarHBondContact O-N 3.38Å; L33-L36 PolarHBondContact O-N 3.11Å; L33-Y37 HydrophobicContact CB-CD2 4.43Å; L33-Y37 HydrophobicContact CB-CE2 4.15Å; L33-Y37 HydrophobicContact CD2-CE1 4.24Å; L33-Y37 WeakPolarHBondContact O-CB 3.3Å; L33-Y37 PolarHBondContact O-N 3.3Å; L33-A90 HydrophobicContact CB-CB 3.92Å; L33-A90 HydrophobicContact CD1-CB 3.92Å; L33-Q280 HydrophobicContact CD1-CG 3.97Å; L33-T284 HydrophobicContact CD2-CG2 3.84Å; L33-T284 WeakPolarHBondContact CD2-OG1 3.37Å |
| 34 | P | 90.9 | Very high | 86.3 | Confident | 22 Ų | 22 | 70.4 Ų | 70.4 | 14% | 0.143 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | -174.6 | -18.5 | 29.6 | 0 | 0 | 0 | 113.9 | A30 L36 S38 A87 A91 | A30-P34 VanDerWaalsContact O-CD 3.28Å; A30-P34 WeakPolarHBondContact O-CD 3.23Å; A30-P34 VanDerWaalsContact O-CG 3.29Å; A30-P34 WeakPolarHBondContact O-CG 3.14Å; P34-L36 VanDerWaalsContact C-N 3.35Å; P34-L36 PolarHBondContact O-N 3.27Å; P34-S38 WeakPolarHBondContact O-CB 3.48Å; P34-S38 PolarHBondContact O-N 3.18Å; P34-S38 PolarHBondContact O-OG 3.37Å; P34-A87 HydrophobicContact CB-CB 4.38Å; P34-A91 HydrophobicContact CB-CB 4.42Å; P34-A91 HydrophobicContact CG-CB 3.71Å |
| 35 | P | 91.8 | Very high | 87.6 | Confident | 84 Ų | 84 | 68 Ų | 68 | 55% | 0.545 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 174 | -23.1 | 33.9 | 0 | 0 | 0 | 112.8 | R31 S38 L39 | R31-P35 WeakPolarHBondContact O-CD 3.39Å; P35-S38 WeakPolarHBondContact O-CB 3.43Å; P35-S38 PolarHBondContact O-N 3.43Å; P35-L39 PolarHBondContact O-N 3.08Å |
| 36 | L | 90.4 | Very high | 88.7 | Confident | 65 Ų | 65 | 71.2 Ų | 71.2 | 34% | 0.34 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | -179.5 | -178.6 | 61.1 | 0 | 0 | 0 | 111.8 | L32 L33 P34 S38 L39 V40 T284 | L32-L36 WeakPolarHBondContact O-CB 3.36Å; L32-L36 PolarHBondContact O-N 3.14Å; L33-L36 PolarHBondContact O-N 3.11Å; P34-L36 VanDerWaalsContact C-N 3.35Å; P34-L36 PolarHBondContact O-N 3.27Å; L36-S38 VanDerWaalsContact C-N 3.31Å; L36-S38 PolarHBondContact O-N 3.27Å; L36-L39 WeakPolarHBondContact O-CB 3.45Å; L36-L39 PolarHBondContact O-N 2.91Å; L36-V40 WeakPolarHBondContact O-CG2 3.42Å; L36-V40 PolarHBondContact O-N 3.43Å; L36-T284 HydrophobicContact CD2-CG2 3.35Å; L36-T284 HydrophobicContact CG-CG2 4.39Å |
| 37 | Y | 91.9 | Very high | 89.6 | Confident | 5 Ų | 5 | 66.2 Ų | 66.2 | 2% | 0.02 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.4 | -37 | 175.3 | -73.7 | -4 | 0 | 0 | 0 | 112 | L33 L39 V40 F41 V83 W86 A87 T284 M287 | L33-Y37 HydrophobicContact CB-CD2 4.43Å; L33-Y37 HydrophobicContact CB-CE2 4.15Å; L33-Y37 HydrophobicContact CD2-CE1 4.24Å; L33-Y37 WeakPolarHBondContact O-CB 3.3Å; L33-Y37 PolarHBondContact O-N 3.3Å; Y37-L39 VanDerWaalsContact C-N 3.34Å; Y37-L39 PolarHBondContact O-N 3.22Å; Y37-V40 PolarHBondContact O-N 2.92Å; Y37-F41 WeakPolarHBondContact O-CB 3.42Å; Y37-F41 PolarHBondContact O-N 3.17Å; Y37-V83 HydrophobicContact CG-CG1 4.09Å; Y37-V83 VanDerWaalsContact O-CG1 3.31Å; Y37-V83 WeakPolarHBondContact O-CG1 3.39Å; Y37-W86 HydrophobicContact CD2-CB 4.3Å; Y37-W86 HydrophobicContact CE2-CB 4.12Å; Y37-A87 HydrophobicContact CD2-CB 4.03Å; Y37-A87 HydrophobicContact CG-CB 4.46Å; Y37-T284 HydrophobicContact CE1-CG2 3.81Å; Y37-T284 PolarHBondContact OH-OG1 3.43Å; Y37-T284 VanDerWaalsContact OH-OG1 3.04Å; Y37-M287 HydrophobicContact CD1-SD 4.35Å; Y37-M287 HydrophobicContact CE1-SD 3.55Å; Y37-M287 VanDerWaalsContact CE1-SD 3.55Å; Y37-M287 HydrophobicContact CE2-SD 4.06Å; Y37-M287 PolarHBondContact OH-SD 3.12Å |
| 38 | S | 92.8 | Very high | 90.3 | Very high | 59 Ų | 59 | 60.9 Ų | 60.9 | 41% | 0.413 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 173.3 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | P34 P35 L36 F41 I42 | P34-S38 WeakPolarHBondContact O-CB 3.48Å; P34-S38 PolarHBondContact O-N 3.18Å; P34-S38 PolarHBondContact O-OG 3.37Å; P35-S38 WeakPolarHBondContact O-CB 3.43Å; P35-S38 PolarHBondContact O-N 3.43Å; L36-S38 VanDerWaalsContact C-N 3.31Å; L36-S38 PolarHBondContact O-N 3.27Å; S38-F41 PolarHBondContact O-N 3.47Å; S38-I42 VanDerWaalsContact O-CG1 3.29Å; S38-I42 WeakPolarHBondContact O-CG1 3.48Å; S38-I42 PolarHBondContact O-N 3.04Å |
| 39 | L | 92.6 | Very high | 91 | Very high | 87 Ų | 87 | 58.5 Ų | 58.5 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 176.5 | -166.7 | 68.8 | 0 | 0 | 0 | 111.9 | P35 L36 Y37 F41 I42 F43 | P35-L39 PolarHBondContact O-N 3.08Å; L36-L39 WeakPolarHBondContact O-CB 3.45Å; L36-L39 PolarHBondContact O-N 2.91Å; Y37-L39 VanDerWaalsContact C-N 3.34Å; Y37-L39 PolarHBondContact O-N 3.22Å; L39-F41 VanDerWaalsContact C-N 3.31Å; L39-F41 PolarHBondContact O-N 3.48Å; L39-I42 PolarHBondContact O-N 2.69Å; L39-F43 HydrophobicContact CD1-CD2 3.85Å; L39-F43 HydrophobicContact CD1-CE2 3.27Å; L39-F43 HydrophobicContact CD1-CZ 4.02Å; L39-F43 HydrophobicContact CD2-CE2 4.12Å; L39-F43 HydrophobicContact CG-CD2 3.72Å; L39-F43 HydrophobicContact CG-CE2 3.52Å; L39-F43 WeakPolarHBondContact O-CD2 3.22Å; L39-F43 PolarHBondContact O-N 3.26Å |
| 40 | V | 93 | Very high | 91.6 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 175.1 | 171 | 0 | 0 | 0 | 0 | 110.5 | L36 Y37 G44 L80 A288 | L36-V40 WeakPolarHBondContact O-CG2 3.42Å; L36-V40 PolarHBondContact O-N 3.43Å; Y37-V40 PolarHBondContact O-N 2.92Å; V40-G44 WeakPolarHBondContact O-CA 3.32Å; V40-G44 PolarHBondContact O-N 2.96Å; V40-L80 HydrophobicContact CG1-CD2 4.31Å; V40-A288 HydrophobicContact CG2-CB 4.07Å |
| 41 | F | 94.6 | Very high | 91.9 | Very high | 59 Ų | 59 | 58.3 Ų | 58.3 | 26% | 0.259 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 177.2 | 178.9 | -103.8 | 0 | 0 | 0 | 111.8 | Y37 S38 L39 F45 L80 V83 P84 | Y37-F41 WeakPolarHBondContact O-CB 3.42Å; Y37-F41 PolarHBondContact O-N 3.17Å; S38-F41 PolarHBondContact O-N 3.47Å; L39-F41 VanDerWaalsContact C-N 3.31Å; L39-F41 PolarHBondContact O-N 3.48Å; F41-F45 HydrophobicContact CE2-CD2 4.29Å; F41-F45 HydrophobicContact CZ-CD2 4.28Å; F41-F45 HydrophobicContact CZ-CG 4.47Å; F41-F45 WeakPolarHBondContact O-CB 3.41Å; F41-F45 PolarHBondContact O-N 3.1Å; F41-L80 HydrophobicContact CD2-CB 4.48Å; F41-L80 VanDerWaalsContact CD2-O 3.3Å; F41-L80 WeakPolarHBondContact CD2-O 3.44Å; F41-V83 HydrophobicContact CB-CG1 4.3Å; F41-P84 HydrophobicContact CD1-CG 4.33Å; F41-P84 HydrophobicContact CD2-CG 3.7Å; F41-P84 HydrophobicContact CE1-CG 4.41Å; F41-P84 HydrophobicContact CE2-CG 3.79Å; F41-P84 HydrophobicContact CG-CG 3.98Å; F41-P84 HydrophobicContact CZ-CG 4.16Å |
| 42 | I | 94.4 | Very high | 92.1 | Very high | 96 Ų | 96 | 49.6 Ų | 49.6 | 49% | 0.492 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.9 | -54.4 | -178.3 | -68.5 | 165.2 | 0 | 0 | 0 | 110.9 | S38 L39 V46 | S38-I42 VanDerWaalsContact O-CG1 3.29Å; S38-I42 WeakPolarHBondContact O-CG1 3.48Å; S38-I42 PolarHBondContact O-N 3.04Å; L39-I42 PolarHBondContact O-N 2.69Å; I42-V46 WeakPolarHBondContact O-CB 3.47Å; I42-V46 VanDerWaalsContact O-CG2 3.28Å; I42-V46 WeakPolarHBondContact O-CG2 3.48Å; I42-V46 PolarHBondContact O-N 2.72Å; I42-V46 VanDerWaalsContact O-N 3.09Å |
| 43 | F | 93.1 | Very high | 92.2 | Very high | 122 Ų | 122 | 47.7 Ų | 47.7 | 54% | 0.535 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.4 | -40.3 | -177.8 | -70.6 | -51.2 | 0 | 0 | 0 | 112.3 | L39 G47 C291 | L39-F43 HydrophobicContact CD1-CD2 3.85Å; L39-F43 HydrophobicContact CD1-CE2 3.27Å; L39-F43 HydrophobicContact CD1-CZ 4.02Å; L39-F43 HydrophobicContact CD2-CE2 4.12Å; L39-F43 HydrophobicContact CG-CD2 3.72Å; L39-F43 HydrophobicContact CG-CE2 3.52Å; L39-F43 WeakPolarHBondContact O-CD2 3.22Å; L39-F43 PolarHBondContact O-N 3.26Å; F43-G47 WeakPolarHBondContact O-CA 3.38Å; F43-G47 PolarHBondContact O-N 3.08Å; F43-C291 HydrophobicContact CB-CB 4.36Å |
| 44 | G | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | V40 N48 L80 C291 | V40-G44 WeakPolarHBondContact O-CA 3.32Å; V40-G44 PolarHBondContact O-N 2.96Å; G44-N48 VanDerWaalsContact O-CB 3.29Å; G44-N48 WeakPolarHBondContact O-CB 3.37Å; G44-N48 PolarHBondContact O-N 3.44Å; G44-N48 PolarHBondContact O-ND2 3.24Å; G44-L80 WeakPolarHBondContact O-CD1 3.03Å; G44-C291 VanDerWaalsContact CA-CB 3.5Å |
| 45 | F | 95.1 | Very high | 91.8 | Very high | 71 Ų | 71 | 46.8 Ų | 46.8 | 31% | 0.311 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66.2 | -50.9 | -179 | -172.6 | -92.2 | 0 | 0 | 0 | 111.1 | F41 G47 M49 L77 | F41-F45 HydrophobicContact CE2-CD2 4.29Å; F41-F45 HydrophobicContact CZ-CD2 4.28Å; F41-F45 HydrophobicContact CZ-CG 4.47Å; F41-F45 WeakPolarHBondContact O-CB 3.41Å; F41-F45 PolarHBondContact O-N 3.1Å; F45-G47 PolarHBondContact O-N 3.09Å; F45-M49 HydrophobicContact CD1-CG 4.15Å; F45-M49 HydrophobicContact CD2-CE 4.42Å; F45-M49 HydrophobicContact CE1-CE 4.31Å; F45-M49 HydrophobicContact CE1-CG 3.91Å; F45-M49 HydrophobicContact CE2-CE 3.59Å; F45-M49 HydrophobicContact CE2-CG 4.42Å; F45-M49 HydrophobicContact CZ-CE 3.53Å; F45-M49 HydrophobicContact CZ-CG 4.06Å; F45-M49 WeakPolarHBondContact O-CB 3.31Å; F45-M49 WeakPolarHBondContact O-CG 3.35Å; F45-M49 PolarHBondContact O-N 3.22Å; F45-L77 HydrophobicContact CD2-CD2 3.93Å; F45-L77 HydrophobicContact CE2-CD2 4.34Å |
| 46 | V | 93.8 | Very high | 91.4 | Very high | 93 Ų | 93 | 46.7 Ų | 46.7 | 56% | 0.564 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.7 | -45.3 | 178.8 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | I42 L50 | I42-V46 WeakPolarHBondContact O-CB 3.47Å; I42-V46 VanDerWaalsContact O-CG2 3.28Å; I42-V46 WeakPolarHBondContact O-CG2 3.48Å; I42-V46 PolarHBondContact O-N 2.72Å; I42-V46 VanDerWaalsContact O-N 3.09Å; V46-L50 VanDerWaalsContact O-CB 3.3Å; V46-L50 WeakPolarHBondContact O-CB 3.48Å; V46-L50 PolarHBondContact O-N 3.48Å |
| 47 | G | 92.3 | Very high | 90.8 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -51.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F43 F45 L50 V51 P294 | F43-G47 WeakPolarHBondContact O-CA 3.38Å; F43-G47 PolarHBondContact O-N 3.08Å; F45-G47 PolarHBondContact O-N 3.09Å; G47-L50 WeakPolarHBondContact O-CB 2.92Å; G47-L50 PolarHBondContact O-N 3.45Å; G47-V51 WeakPolarHBondContact O-CG2 3.36Å; G47-V51 PolarHBondContact O-N 2.91Å; G47-P294 VanDerWaalsContact C-CG 3.41Å |
| 48 | N | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.1 | -36.7 | -178.2 | -73.8 | -63.7 | 0 | 0 | 0 | 112.2 | G44 L50 V51 I52 D76 L77 C290 P294 | G44-N48 VanDerWaalsContact O-CB 3.29Å; G44-N48 WeakPolarHBondContact O-CB 3.37Å; G44-N48 PolarHBondContact O-N 3.44Å; G44-N48 PolarHBondContact O-ND2 3.24Å; N48-L50 VanDerWaalsContact C-N 3.32Å; N48-L50 PolarHBondContact O-N 2.93Å; N48-V51 WeakPolarHBondContact O-CB 3.49Å; N48-V51 PolarHBondContact O-N 3.14Å; N48-I52 WeakPolarHBondContact O-CG1 3.44Å; N48-I52 PolarHBondContact O-N 3.39Å; N48-D76 PolarHBondContact OD1-OD2 3.28Å; N48-L77 HydrophobicContact CB-CD2 3.96Å; N48-L77 HydrophobicContact CB-CG 4.1Å; N48-C290 PolarHBondContact ND2-O 2.95Å; N48-P294 WeakPolarHBondContact OD1-CG 3.33Å |
| 49 | M | 93.6 | Very high | 88.7 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 33% | 0.33 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 171.9 | -76 | -62.7 | -179.8 | 0 | 0 | 111.8 | F45 V51 I52 L53 L77 | F45-M49 HydrophobicContact CD1-CG 4.15Å; F45-M49 HydrophobicContact CD2-CE 4.42Å; F45-M49 HydrophobicContact CE1-CE 4.31Å; F45-M49 HydrophobicContact CE1-CG 3.91Å; F45-M49 HydrophobicContact CE2-CE 3.59Å; F45-M49 HydrophobicContact CE2-CG 4.42Å; F45-M49 HydrophobicContact CZ-CE 3.53Å; F45-M49 HydrophobicContact CZ-CG 4.06Å; F45-M49 WeakPolarHBondContact O-CB 3.31Å; F45-M49 WeakPolarHBondContact O-CG 3.35Å; F45-M49 PolarHBondContact O-N 3.22Å; M49-V51 VanDerWaalsContact C-N 3.33Å; M49-V51 PolarHBondContact O-N 2.84Å; M49-I52 PolarHBondContact O-N 3.35Å; M49-L53 WeakPolarHBondContact O-CB 3.45Å; M49-L53 VanDerWaalsContact O-CG 3.28Å; M49-L53 WeakPolarHBondContact O-CG 3.38Å; M49-L53 PolarHBondContact O-N 3.01Å; M49-L77 HydrophobicContact CE-CD1 3.5Å; M49-L77 VanDerWaalsContact CE-CD1 3.5Å; M49-L77 HydrophobicContact CE-CD2 4.04Å; M49-L77 HydrophobicContact CE-CG 4.43Å; M49-L77 HydrophobicContact CG-CD2 4.33Å; M49-L77 HydrophobicContact SD-CD1 3.82Å |
| 50 | L | 90.5 | Very high | 87.7 | Confident | 39 Ų | 39 | 53.6 Ų | 53.6 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 175.9 | -175.8 | 62.7 | 0 | 0 | 0 | 111.7 | V46 G47 N48 L53 I54 L308 F311 | V46-L50 VanDerWaalsContact O-CB 3.3Å; V46-L50 WeakPolarHBondContact O-CB 3.48Å; V46-L50 PolarHBondContact O-N 3.48Å; G47-L50 WeakPolarHBondContact O-CB 2.92Å; G47-L50 PolarHBondContact O-N 3.45Å; N48-L50 VanDerWaalsContact C-N 3.32Å; N48-L50 PolarHBondContact O-N 2.93Å; L50-L53 PolarHBondContact O-N 3.34Å; L50-I54 HydrophobicContact CD1-CD1 3.99Å; L50-I54 HydrophobicContact CD1-CG1 4.31Å; L50-I54 HydrophobicContact CG-CD1 3.85Å; L50-I54 WeakPolarHBondContact O-CB 3.4Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 3.24Å; L50-I54 PolarHBondContact O-N 2.65Å; L50-L308 HydrophobicContact CD2-CD2 3.98Å; L50-L308 HydrophobicContact CD2-CG 4.32Å; L50-F311 HydrophobicContact CD1-CD1 3.87Å; L50-F311 HydrophobicContact CD1-CE1 3.69Å; L50-F311 HydrophobicContact CD1-CZ 4.36Å |
| 51 | V | 90 | Very high | 86.7 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.3 | -49.2 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | G47 N48 M49 I54 L55 A73 P294 Y297 F304 | G47-V51 WeakPolarHBondContact O-CG2 3.36Å; G47-V51 PolarHBondContact O-N 2.91Å; N48-V51 WeakPolarHBondContact O-CB 3.49Å; N48-V51 PolarHBondContact O-N 3.14Å; M49-V51 VanDerWaalsContact C-N 3.33Å; M49-V51 PolarHBondContact O-N 2.84Å; V51-I54 PolarHBondContact O-N 3.26Å; V51-L55 HydrophobicContact CG1-CD1 3.8Å; V51-L55 HydrophobicContact CG1-CG 4.36Å; V51-L55 WeakPolarHBondContact O-CB 3.38Å; V51-L55 VanDerWaalsContact O-CG 3.28Å; V51-L55 WeakPolarHBondContact O-CG 3.39Å; V51-L55 PolarHBondContact O-N 2.71Å; V51-A73 HydrophobicContact CB-CB 4.42Å; V51-A73 HydrophobicContact CG1-CB 4.02Å; V51-P294 HydrophobicContact CG2-CB 4.05Å; V51-P294 HydrophobicContact CG2-CG 4.16Å; V51-Y297 HydrophobicContact CG1-CD2 4.28Å; V51-Y297 HydrophobicContact CG1-CE2 4.22Å; V51-Y297 HydrophobicContact CG2-CD2 3.8Å; V51-Y297 HydrophobicContact CG2-CE2 4.28Å; V51-F304 HydrophobicContact CB-CE2 4.39Å; V51-F304 HydrophobicContact CB-CZ 4.45Å; V51-F304 HydrophobicContact CG1-CE2 4.5Å; V51-F304 HydrophobicContact CG2-CE2 3.94Å; V51-F304 HydrophobicContact CG2-CZ 3.63Å |
| 52 | I | 91.1 | Very high | 85.9 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.7 | -49.2 | 178.7 | -68.7 | 170.3 | 0 | 0 | 0 | 110.8 | N48 M49 I54 L55 I56 L70 A73 I74 L77 | N48-I52 WeakPolarHBondContact O-CG1 3.44Å; N48-I52 PolarHBondContact O-N 3.39Å; M49-I52 PolarHBondContact O-N 3.35Å; I52-I54 VanDerWaalsContact C-N 3.34Å; I52-I54 PolarHBondContact O-N 2.79Å; I52-L55 PolarHBondContact O-N 3.12Å; I52-I56 HydrophobicContact CG2-CD1 3.64Å; I52-I56 HydrophobicContact CG2-CG1 4.43Å; I52-I56 WeakPolarHBondContact O-CG1 3.35Å; I52-I56 PolarHBondContact O-N 3.48Å; I52-L70 HydrophobicContact CB-CD1 4.27Å; I52-L70 HydrophobicContact CG1-CD1 4Å; I52-L70 HydrophobicContact CG2-CD1 4.01Å; I52-A73 HydrophobicContact CD1-CB 4.19Å; I52-A73 HydrophobicContact CG1-CB 3.76Å; I52-I74 HydrophobicContact CD1-CG1 4.1Å; I52-L77 HydrophobicContact CD1-CD1 3.34Å; I52-L77 HydrophobicContact CD1-CG 4.33Å |
| 53 | L | 88.4 | Confident | 85.3 | Confident | 76 Ų | 76 | 58.3 Ų | 58.3 | 40% | 0.398 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 179.6 | -73.7 | 171 | 0 | 0 | 0 | 112 | M49 L50 N57 | M49-L53 WeakPolarHBondContact O-CB 3.45Å; M49-L53 VanDerWaalsContact O-CG 3.28Å; M49-L53 WeakPolarHBondContact O-CG 3.38Å; M49-L53 PolarHBondContact O-N 3.01Å; L50-L53 PolarHBondContact O-N 3.34Å; L53-N57 WeakPolarHBondContact O-CB 3.15Å; L53-N57 PolarHBondContact O-N 3.47Å; L53-N57 PolarHBondContact O-ND2 3.16Å |
| 54 | I | 84.9 | Confident | 85.1 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -65.8 | -44 | 178.1 | -72.2 | 169.5 | 0 | 0 | 0 | 111 | L50 V51 I52 C58 K59 F304 Y307 L308 F311 | L50-I54 HydrophobicContact CD1-CD1 3.99Å; L50-I54 HydrophobicContact CD1-CG1 4.31Å; L50-I54 HydrophobicContact CG-CD1 3.85Å; L50-I54 WeakPolarHBondContact O-CB 3.4Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 3.24Å; L50-I54 PolarHBondContact O-N 2.65Å; V51-I54 PolarHBondContact O-N 3.26Å; I52-I54 VanDerWaalsContact C-N 3.34Å; I52-I54 PolarHBondContact O-N 2.79Å; I54-C58 HydrophobicContact CG2-CB 4.36Å; I54-C58 WeakPolarHBondContact O-CA 3.25Å; I54-C58 VanDerWaalsContact O-CB 3.28Å; I54-C58 WeakPolarHBondContact O-CB 3.19Å; I54-C58 PolarHBondContact O-N 2.9Å; I54-K59 PolarHBondContact O-N 3.33Å; I54-K59 VanDerWaalsContact O-N 3.1Å; I54-F304 HydrophobicContact CB-CE2 4.25Å; I54-F304 HydrophobicContact CD1-CE2 3.81Å; I54-F304 HydrophobicContact CD1-CZ 3.8Å; I54-F304 HydrophobicContact CG2-CD2 4.31Å; I54-F304 HydrophobicContact CG2-CE2 4.11Å; I54-Y307 HydrophobicContact CG2-CG 4.34Å; I54-L308 HydrophobicContact CD1-CB 4.28Å; I54-L308 HydrophobicContact CD1-CG 3.81Å; I54-F311 HydrophobicContact CG1-CB 4.34Å; I54-F311 HydrophobicContact CG1-CG 4.34Å |
| 55 | L | 84.3 | Confident | 84.8 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -64.8 | -41.5 | -179.2 | -72.1 | 175.4 | 0 | 0 | 0 | 112 | V51 I52 K59 R60 L69 L70 | V51-L55 HydrophobicContact CG1-CD1 3.8Å; V51-L55 HydrophobicContact CG1-CG 4.36Å; V51-L55 WeakPolarHBondContact O-CB 3.38Å; V51-L55 VanDerWaalsContact O-CG 3.28Å; V51-L55 WeakPolarHBondContact O-CG 3.39Å; V51-L55 PolarHBondContact O-N 2.71Å; I52-L55 PolarHBondContact O-N 3.12Å; L55-K59 HydrophobicContact CD2-CD 3.78Å; L55-K59 WeakPolarHBondContact O-CB 3.35Å; L55-R60 WeakPolarHBondContact O-CA 3.24Å; L55-R60 PolarHBondContact O-N 2.67Å; L55-L69 HydrophobicContact CD1-CB 4.07Å; L55-L70 HydrophobicContact CD1-CB 4.06Å; L55-L70 HydrophobicContact CD1-CD1 4.48Å |
| 56 | I | 84.4 | Confident | 84.5 | Confident | 82 Ų | 82 | 51.3 Ų | 51.3 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -75.9 | -50.3 | -179.6 | -64.1 | 175 | 0 | 0 | 0 | 111.1 | I52 L70 | I52-I56 HydrophobicContact CG2-CD1 3.64Å; I52-I56 HydrophobicContact CG2-CG1 4.43Å; I52-I56 WeakPolarHBondContact O-CG1 3.35Å; I52-I56 PolarHBondContact O-N 3.48Å; I56-L70 HydrophobicContact CD1-CD1 4.34Å; I56-L70 HydrophobicContact CG1-CD1 4.28Å |
| 57 | N | 77.4 | Confident | 84.4 | Confident | 96 Ų | 96 | 47.5 Ų | 47.5 | 51% | 0.513 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -88.5 | -36.8 | -168.3 | -63.1 | -29.3 | 0 | 0 | 0 | 114 | L53 | L53-N57 WeakPolarHBondContact O-CB 3.15Å; L53-N57 PolarHBondContact O-N 3.47Å; L53-N57 PolarHBondContact O-ND2 3.16Å |
| 58 | C | 70.8 | Confident | 84.4 | Confident | 43 Ų | 43 | 47 Ų | 47 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -95.8 | -40.5 | -175.2 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | I54 Y307 | I54-C58 HydrophobicContact CG2-CB 4.36Å; I54-C58 WeakPolarHBondContact O-CA 3.25Å; I54-C58 VanDerWaalsContact O-CB 3.28Å; I54-C58 WeakPolarHBondContact O-CB 3.19Å; I54-C58 PolarHBondContact O-N 2.9Å; C58-Y307 HydrophobicContact CB-CD1 4.23Å |
| 59 | K | 69.4 | Low | 84.3 | Confident | 42 Ų | 42 | 48 Ų | 48 | 18% | 0.183 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -90.1 | -44.5 | -174.4 | -154.3 | 174.2 | -177.1 | 177.1 | 0 | 111.9 | I54 L55 D66 Y307 | I54-K59 PolarHBondContact O-N 3.33Å; I54-K59 VanDerWaalsContact O-N 3.1Å; L55-K59 HydrophobicContact CD2-CD 3.78Å; L55-K59 WeakPolarHBondContact O-CB 3.35Å; K59-D66 WeakPolarHBondContact CE-OD1 3.36Å; K59-D66 VanDerWaalsContact CE-OD2 3.29Å; K59-D66 WeakPolarHBondContact CE-OD2 3.38Å; K59-D66 VanDerWaalsContact NZ-CG 3.3Å; K59-D66 IonicContact NZ-OD1 3.29Å; K59-D66 PolarHBondContact NZ-OD1 3.39Å; K59-D66 IonicContact NZ-OD2 3.24Å; K59-Y307 HydrophobicContact CD-CE2 4.34Å; K59-Y307 HydrophobicContact CG-CE2 4.35Å |
| 60 | R | 72.2 | Confident | 84.3 | Confident | 181 Ų | 181 | 46.3 Ų | 46.3 | 68% | 0.683 | 23% | 0.231 | S | C | * | . | trans | 53 | 129.4 | -155.3 | -61.8 | -177.3 | 179.2 | 178.4 | -1.1 | 109.5 | L55 K62 | L55-R60 WeakPolarHBondContact O-CA 3.24Å; L55-R60 PolarHBondContact O-N 2.67Å; R60-K62 WeakPolarHBondContact O-CG 3.28Å; R60-K62 PolarHBondContact O-N 2.89Å | ||
| 61 | P | 71.6 | Confident | 84.5 | Confident | 58 Ų | 58 | 45.4 Ų | 45.4 | 38% | 0.377 | 23% | 0.226 | S | C | . | . | trans | -64 | 101.3 | -175.7 | 24.5 | -32.4 | 0 | 0 | 0 | 110.5 | D66 I67 | P61-D66 HydrophobicContact CB-CB 4.23Å; P61-I67 HydrophobicContact CB-CG1 4.06Å | ||
| 62 | K | 77.7 | Confident | 84.8 | Confident | 167 Ų | 167 | 45.3 Ų | 45.3 | 73% | 0.726 | 23% | 0.225 | S | C | * | . | trans | -103.2 | -7.3 | -179 | -70.7 | -178.9 | -172.5 | -172.9 | 0 | 112.5 | R60 | R60-K62 WeakPolarHBondContact O-CG 3.28Å; R60-K62 PolarHBondContact O-N 2.89Å | ||
| 63 | S | 83.4 | Confident | 84.9 | Confident | 37 Ų | 37 | 44.2 Ų | 44.2 | 26% | 0.259 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -139.1 | 153.2 | -179.9 | 71.3 | 0 | 0 | 0 | 0 | 111.2 | T65 D66 I67 | S63-T65 PolarHBondContact O-N 3.01Å; S63-D66 PolarHBondContact N-OD2 3.21Å; S63-D66 WeakPolarHBondContact O-CB 3.46Å; S63-D66 PolarHBondContact O-N 2.87Å; S63-D66 PolarHBondContact OG-OD1 2.62Å; S63-D66 PolarHBondContact OG-OD2 3.2Å; S63-I67 PolarHBondContact O-N 3.32Å |
| 64 | M | 88.1 | Confident | 85.3 | Confident | 21 Ų | 21 | 43 Ų | 43 | 10% | 0.103 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.6 | -38.2 | 176.4 | -171.9 | 171.3 | -171.7 | 0 | 0 | 112.7 | D66 I67 Y68 R140 | M64-D66 VanDerWaalsContact C-N 3.3Å; M64-D66 PolarHBondContact O-N 3.48Å; M64-I67 WeakPolarHBondContact O-CB 3.48Å; M64-I67 PolarHBondContact O-N 3.34Å; M64-Y68 HydrophobicContact CE-CE2 3.96Å; M64-Y68 WeakPolarHBondContact CE-OH 3.39Å; M64-Y68 HydrophobicContact CG-CD2 4.34Å; M64-Y68 HydrophobicContact CG-CE1 4.44Å; M64-Y68 HydrophobicContact CG-CE2 3.75Å; M64-Y68 PolarHBondContact O-N 2.9Å; M64-Y68 HydrophobicContact SD-CE2 4.44Å; M64-R140 HydrophobicContact SD-CB 4.13Å; M64-R140 HydrophobicContact SD-CG 4.21Å |
| 65 | T | 87.8 | Confident | 85.9 | Confident | 15 Ų | 15 | 43 Ų | 43 | 9% | 0.092 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -36.8 | 176 | -40.6 | 0 | 0 | 0 | 0 | 112.7 | S63 I67 Y68 L69 L122 D125 R126 R140 | S63-T65 PolarHBondContact O-N 3.01Å; T65-I67 VanDerWaalsContact C-N 3.3Å; T65-Y68 PolarHBondContact O-N 2.94Å; T65-L69 HydrophobicContact CG2-CD1 4.33Å; T65-L69 WeakPolarHBondContact O-CB 3.48Å; T65-L69 VanDerWaalsContact O-CG 3.28Å; T65-L69 WeakPolarHBondContact O-CG 3.3Å; T65-L69 PolarHBondContact O-N 3.44Å; T65-L122 HydrophobicContact CG2-CD2 3.68Å; T65-D125 PolarHBondContact OG1-OD2 3.05Å; T65-R126 PolarHBondContact OG1-NH2 3.4Å; T65-R140 PolarHBondContact OG1-NH2 3.42Å |
| 66 | D | 88 | Confident | 86.5 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.5 | -34.1 | -179.6 | -55.5 | -27.4 | 0 | 0 | 0 | 110.8 | K59 P61 S63 M64 L70 | K59-D66 WeakPolarHBondContact CE-OD1 3.36Å; K59-D66 VanDerWaalsContact CE-OD2 3.29Å; K59-D66 WeakPolarHBondContact CE-OD2 3.38Å; K59-D66 VanDerWaalsContact NZ-CG 3.3Å; K59-D66 IonicContact NZ-OD1 3.29Å; K59-D66 PolarHBondContact NZ-OD1 3.39Å; K59-D66 IonicContact NZ-OD2 3.24Å; P61-D66 HydrophobicContact CB-CB 4.23Å; S63-D66 PolarHBondContact N-OD2 3.21Å; S63-D66 WeakPolarHBondContact O-CB 3.46Å; S63-D66 PolarHBondContact O-N 2.87Å; S63-D66 PolarHBondContact OG-OD1 2.62Å; S63-D66 PolarHBondContact OG-OD2 3.2Å; M64-D66 VanDerWaalsContact C-N 3.3Å; M64-D66 PolarHBondContact O-N 3.48Å; D66-L70 WeakPolarHBondContact O-CB 3.5Å; D66-L70 PolarHBondContact O-N 3.06Å |
| 67 | I | 92.1 | Very high | 87 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.6 | -45.7 | 173.7 | -57.9 | 169.4 | 0 | 0 | 0 | 109.8 | P61 S63 M64 T65 L70 N71 V142 V146 | P61-I67 HydrophobicContact CB-CG1 4.06Å; S63-I67 PolarHBondContact O-N 3.32Å; M64-I67 WeakPolarHBondContact O-CB 3.48Å; M64-I67 PolarHBondContact O-N 3.34Å; T65-I67 VanDerWaalsContact C-N 3.3Å; I67-L70 WeakPolarHBondContact O-CB 3.39Å; I67-L70 PolarHBondContact O-N 3.28Å; I67-N71 WeakPolarHBondContact CG2-ND2 3.4Å; I67-N71 PolarHBondContact O-N 3.49Å; I67-N71 PolarHBondContact O-ND2 2.83Å; I67-V142 HydrophobicContact CD1-CB 4.17Å; I67-V142 HydrophobicContact CD1-CG1 3.77Å; I67-V142 HydrophobicContact CD1-CG2 4.41Å; I67-V142 WeakPolarHBondContact CD1-O 3.34Å; I67-V146 HydrophobicContact CD1-CG2 4.1Å |
| 68 | Y | 93.3 | Very high | 87.9 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67 | -40.3 | 178.5 | -63.8 | -21.9 | 0 | 0 | 0 | 113 | M64 T65 L70 N71 L72 F118 L121 L122 D125 T148 | M64-Y68 HydrophobicContact CE-CE2 3.96Å; M64-Y68 WeakPolarHBondContact CE-OH 3.39Å; M64-Y68 HydrophobicContact CG-CD2 4.34Å; M64-Y68 HydrophobicContact CG-CE1 4.44Å; M64-Y68 HydrophobicContact CG-CE2 3.75Å; M64-Y68 PolarHBondContact O-N 2.9Å; M64-Y68 HydrophobicContact SD-CE2 4.44Å; T65-Y68 PolarHBondContact O-N 2.94Å; Y68-L70 VanDerWaalsContact C-N 3.29Å; Y68-L70 PolarHBondContact O-N 3.39Å; Y68-N71 PolarHBondContact O-N 3.1Å; Y68-L72 WeakPolarHBondContact O-CB 3.48Å; Y68-L72 PolarHBondContact O-N 3.44Å; Y68-F118 HydrophobicContact CD1-CD1 4.09Å; Y68-F118 HydrophobicContact CD1-CE1 4.24Å; Y68-L121 HydrophobicContact CD2-CB 3.99Å; Y68-L121 HydrophobicContact CE1-CB 4.45Å; Y68-L121 HydrophobicContact CE1-CD1 4.02Å; Y68-L121 HydrophobicContact CE2-CB 3.74Å; Y68-L121 HydrophobicContact CG-CB 4.42Å; Y68-L122 HydrophobicContact CD2-CD2 4.32Å; Y68-D125 HydrophobicContact CD2-CB 4.35Å; Y68-D125 HydrophobicContact CE2-CB 4.16Å; Y68-T148 WeakPolarHBondContact CE1-OG1 3.33Å; Y68-T148 WeakPolarHBondContact OH-CB 3.27Å; Y68-T148 PolarHBondContact OH-OG1 2.91Å |
| 69 | L | 91.3 | Very high | 89 | Confident | 21 Ų | 21 | 36.6 Ų | 36.6 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.7 | -37.4 | 173 | -71.4 | 171.2 | 0 | 0 | 0 | 112 | L55 T65 A73 L122 Y297 | L55-L69 HydrophobicContact CD1-CB 4.07Å; T65-L69 HydrophobicContact CG2-CD1 4.33Å; T65-L69 WeakPolarHBondContact O-CB 3.48Å; T65-L69 VanDerWaalsContact O-CG 3.28Å; T65-L69 WeakPolarHBondContact O-CG 3.3Å; T65-L69 PolarHBondContact O-N 3.44Å; L69-A73 PolarHBondContact O-N 2.9Å; L69-A73 VanDerWaalsContact O-N 3.1Å; L69-L122 HydrophobicContact CD2-CD1 3.9Å; L69-L122 HydrophobicContact CD2-CD2 4.27Å; L69-L122 HydrophobicContact CG-CD2 4.13Å; L69-Y297 HydrophobicContact CD2-CE1 3.97Å; L69-Y297 HydrophobicContact CD2-CE2 4.49Å; L69-Y297 WeakPolarHBondContact CD2-OH 3.43Å |
| 70 | L | 93 | Very high | 90.3 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 16% | 0.162 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -47.5 | 174.9 | 178.4 | 65.8 | 0 | 0 | 0 | 111.3 | I52 L55 I56 D66 I67 Y68 L72 A73 I74 | I52-L70 HydrophobicContact CB-CD1 4.27Å; I52-L70 HydrophobicContact CG1-CD1 4Å; I52-L70 HydrophobicContact CG2-CD1 4.01Å; L55-L70 HydrophobicContact CD1-CB 4.06Å; L55-L70 HydrophobicContact CD1-CD1 4.48Å; I56-L70 HydrophobicContact CD1-CD1 4.34Å; I56-L70 HydrophobicContact CG1-CD1 4.28Å; D66-L70 WeakPolarHBondContact O-CB 3.5Å; D66-L70 PolarHBondContact O-N 3.06Å; I67-L70 WeakPolarHBondContact O-CB 3.39Å; I67-L70 PolarHBondContact O-N 3.28Å; Y68-L70 VanDerWaalsContact C-N 3.29Å; Y68-L70 PolarHBondContact O-N 3.39Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 3.32Å; L70-A73 PolarHBondContact O-N 2.94Å; L70-I74 HydrophobicContact CD1-CD1 4.48Å; L70-I74 HydrophobicContact CG-CD1 4.16Å; L70-I74 WeakPolarHBondContact O-CG1 3.41Å; L70-I74 PolarHBondContact O-N 3.02Å |
| 71 | N | 96.4 | Very high | 91.4 | Very high | 19 Ų | 19 | 29.7 Ų | 29.7 | 10% | 0.102 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.7 | -34.2 | 179.1 | -76.7 | -81 | 0 | 0 | 0 | 112.5 | I67 Y68 I74 S75 F118 S149 W153 | I67-N71 WeakPolarHBondContact CG2-ND2 3.4Å; I67-N71 PolarHBondContact O-N 3.49Å; I67-N71 PolarHBondContact O-ND2 2.83Å; Y68-N71 PolarHBondContact O-N 3.1Å; N71-I74 PolarHBondContact O-N 3.21Å; N71-S75 WeakPolarHBondContact O-CB 3.33Å; N71-S75 PolarHBondContact O-N 3.06Å; N71-F118 HydrophobicContact CB-CD1 3.83Å; N71-F118 HydrophobicContact CB-CD2 3.8Å; N71-F118 HydrophobicContact CB-CE1 3.5Å; N71-F118 VanDerWaalsContact CB-CE1 3.5Å; N71-F118 HydrophobicContact CB-CE2 3.47Å; N71-F118 VanDerWaalsContact CB-CE2 3.47Å; N71-F118 HydrophobicContact CB-CG 4Å; N71-F118 HydrophobicContact CB-CZ 3.33Å; N71-S149 PolarHBondContact ND2-OG 3.4Å; N71-W153 PolarHBondContact OD1-NE1 3.24Å |
| 72 | L | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 173.1 | -177.7 | 58.4 | 0 | 0 | 0 | 111.3 | Y68 L70 I74 S75 D76 G115 F118 I119 L122 Y297 | Y68-L72 WeakPolarHBondContact O-CB 3.48Å; Y68-L72 PolarHBondContact O-N 3.44Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 3.32Å; L72-I74 VanDerWaalsContact C-N 3.32Å; L72-I74 PolarHBondContact O-N 3.2Å; L72-S75 VanDerWaalsContact O-CB 3.26Å; L72-S75 WeakPolarHBondContact O-CB 3.43Å; L72-S75 PolarHBondContact O-N 2.82Å; L72-D76 PolarHBondContact O-N 3.47Å; L72-G115 WeakPolarHBondContact CD1-O 3.38Å; L72-F118 HydrophobicContact CB-CB 4.16Å; L72-F118 HydrophobicContact CD1-CB 4.33Å; L72-I119 HydrophobicContact CD1-CD1 4.43Å; L72-I119 HydrophobicContact CD1-CG1 4.03Å; L72-I119 HydrophobicContact CD2-CG1 4.03Å; L72-L122 HydrophobicContact CD2-CD1 3.95Å; L72-Y297 WeakPolarHBondContact CD2-OH 3.46Å |
| 73 | A | 95.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.1 | -36.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | V51 I52 L69 L70 D76 L77 | V51-A73 HydrophobicContact CB-CB 4.42Å; V51-A73 HydrophobicContact CG1-CB 4.02Å; I52-A73 HydrophobicContact CD1-CB 4.19Å; I52-A73 HydrophobicContact CG1-CB 3.76Å; L69-A73 PolarHBondContact O-N 2.9Å; L69-A73 VanDerWaalsContact O-N 3.1Å; L70-A73 PolarHBondContact O-N 2.94Å; A73-D76 PolarHBondContact O-N 2.88Å; A73-L77 WeakPolarHBondContact O-CG 3.18Å; A73-L77 PolarHBondContact O-N 3.33Å |
| 74 | I | 96.5 | Very high | 93.9 | Very high | 51 Ų | 51 | 19.8 Ų | 19.8 | 26% | 0.262 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -66 | -40.5 | 173.8 | -66.7 | 166.5 | 0 | 0 | 0 | 110.9 | I52 L70 N71 L72 L77 F78 W153 | I52-I74 HydrophobicContact CD1-CG1 4.1Å; L70-I74 HydrophobicContact CD1-CD1 4.48Å; L70-I74 HydrophobicContact CG-CD1 4.16Å; L70-I74 WeakPolarHBondContact O-CG1 3.41Å; L70-I74 PolarHBondContact O-N 3.02Å; N71-I74 PolarHBondContact O-N 3.21Å; L72-I74 VanDerWaalsContact C-N 3.32Å; L72-I74 PolarHBondContact O-N 3.2Å; I74-L77 WeakPolarHBondContact O-CB 3.27Å; I74-L77 PolarHBondContact O-N 2.98Å; I74-F78 HydrophobicContact CG2-CE1 4.48Å; I74-F78 HydrophobicContact CG2-CE2 4.3Å; I74-F78 HydrophobicContact CG2-CZ 4.2Å; I74-F78 PolarHBondContact O-N 3.11Å; I74-W153 HydrophobicContact CB-CZ2 4.29Å; I74-W153 HydrophobicContact CG2-CH2 4.01Å; I74-W153 HydrophobicContact CG2-CZ2 3.8Å |
| 75 | S | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 174.4 | -173.7 | 0 | 0 | 0 | 0 | 112.1 | N71 L72 L77 F78 F79 G111 S114 G115 | N71-S75 WeakPolarHBondContact O-CB 3.33Å; N71-S75 PolarHBondContact O-N 3.06Å; L72-S75 VanDerWaalsContact O-CB 3.26Å; L72-S75 WeakPolarHBondContact O-CB 3.43Å; L72-S75 PolarHBondContact O-N 2.82Å; S75-L77 VanDerWaalsContact C-N 3.26Å; S75-L77 PolarHBondContact O-N 3.36Å; S75-F78 PolarHBondContact O-N 3.01Å; S75-F79 PolarHBondContact O-N 3.24Å; S75-F79 VanDerWaalsContact O-N 3.13Å; S75-G111 PolarHBondContact OG-O 3.38Å; S75-S114 WeakPolarHBondContact CB-OG 3.3Å; S75-S114 PolarHBondContact OG-OG 3.21Å; S75-G115 VanDerWaalsContact OG-CA 3.26Å; S75-G115 WeakPolarHBondContact OG-CA 3.46Å; S75-G115 PolarHBondContact OG-N 3.29Å |
| 76 | D | 96 | Very high | 94.4 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.2 | -37.2 | 176.2 | -71.4 | -33.4 | 0 | 0 | 0 | 111 | N48 L72 A73 F79 L80 C290 N293 | N48-D76 PolarHBondContact OD1-OD2 3.28Å; L72-D76 PolarHBondContact O-N 3.47Å; A73-D76 PolarHBondContact O-N 2.88Å; D76-F79 WeakPolarHBondContact O-CB 3.12Å; D76-F79 PolarHBondContact O-N 2.95Å; D76-L80 WeakPolarHBondContact O-CB 3.46Å; D76-L80 WeakPolarHBondContact O-CD1 3.48Å; D76-L80 WeakPolarHBondContact O-CG 3.46Å; D76-L80 PolarHBondContact O-N 3.25Å; D76-C290 HydrophobicContact CB-CB 4.27Å; D76-N293 PolarHBondContact OD2-ND2 3.25Å |
| 77 | L | 96.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 22.1 Ų | 22.1 | 8% | 0.084 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 174.7 | -73.9 | -179.9 | 0 | 0 | 0 | 113.2 | F45 N48 M49 I52 A73 I74 S75 F79 L80 L81 | F45-L77 HydrophobicContact CD2-CD2 3.93Å; F45-L77 HydrophobicContact CE2-CD2 4.34Å; N48-L77 HydrophobicContact CB-CD2 3.96Å; N48-L77 HydrophobicContact CB-CG 4.1Å; M49-L77 HydrophobicContact CE-CD1 3.5Å; M49-L77 VanDerWaalsContact CE-CD1 3.5Å; M49-L77 HydrophobicContact CE-CD2 4.04Å; M49-L77 HydrophobicContact CE-CG 4.43Å; M49-L77 HydrophobicContact CG-CD2 4.33Å; M49-L77 HydrophobicContact SD-CD1 3.82Å; I52-L77 HydrophobicContact CD1-CD1 3.34Å; I52-L77 HydrophobicContact CD1-CG 4.33Å; A73-L77 WeakPolarHBondContact O-CG 3.18Å; A73-L77 PolarHBondContact O-N 3.33Å; I74-L77 WeakPolarHBondContact O-CB 3.27Å; I74-L77 PolarHBondContact O-N 2.98Å; S75-L77 VanDerWaalsContact C-N 3.26Å; S75-L77 PolarHBondContact O-N 3.36Å; L77-F79 PolarHBondContact O-N 3.42Å; L77-L80 HydrophobicContact CD2-CD1 4.25Å; L77-L80 PolarHBondContact O-N 2.88Å; L77-L81 VanDerWaalsContact O-CG 3.27Å; L77-L81 WeakPolarHBondContact O-CG 3.46Å; L77-L81 PolarHBondContact O-N 3.47Å |
| 78 | F | 95.9 | Very high | 94.7 | Very high | 68 Ų | 68 | 25 Ų | 25 | 30% | 0.298 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -58.8 | -40.3 | 174.9 | -74.3 | -15.8 | 0 | 0 | 0 | 111.8 | I74 S75 L81 L107 I110 W153 | I74-F78 HydrophobicContact CG2-CE1 4.48Å; I74-F78 HydrophobicContact CG2-CE2 4.3Å; I74-F78 HydrophobicContact CG2-CZ 4.2Å; I74-F78 PolarHBondContact O-N 3.11Å; S75-F78 PolarHBondContact O-N 3.01Å; F78-L81 HydrophobicContact CD1-CD1 4.49Å; F78-L107 HydrophobicContact CB-CD2 4.48Å; F78-L107 HydrophobicContact CD1-CD2 4.43Å; F78-L107 HydrophobicContact CG-CD2 4.34Å; F78-I110 HydrophobicContact CD2-CG2 4.05Å; F78-W153 AromaticContact CD2-CH2 3.54Å; F78-W153 HydrophobicContact CD2-CH2 3.54Å; F78-W153 AromaticContact CD2-CZ3 3.54Å; F78-W153 HydrophobicContact CD2-CZ3 3.54Å; F78-W153 HydrophobicContact CE2-CE3 4.33Å; F78-W153 AromaticContact CE2-CH2 3.45Å; F78-W153 HydrophobicContact CE2-CH2 3.45Å; F78-W153 VanDerWaalsContact CE2-CH2 3.45Å; F78-W153 HydrophobicContact CE2-CZ2 4.38Å; F78-W153 AromaticContact CE2-CZ3 3.42Å; F78-W153 HydrophobicContact CE2-CZ3 3.42Å; F78-W153 VanDerWaalsContact CE2-CZ3 3.42Å |
| 79 | F | 94.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.8 | -49.7 | 173.9 | -164.8 | -88.5 | 0 | 0 | 0 | 111.5 | S75 D76 L77 L81 T82 V83 Y108 F112 W248 M287 C290 | S75-F79 PolarHBondContact O-N 3.24Å; S75-F79 VanDerWaalsContact O-N 3.13Å; D76-F79 WeakPolarHBondContact O-CB 3.12Å; D76-F79 PolarHBondContact O-N 2.95Å; L77-F79 PolarHBondContact O-N 3.42Å; F79-L81 VanDerWaalsContact C-N 3.33Å; F79-L81 PolarHBondContact O-N 3.38Å; F79-T82 PolarHBondContact O-N 2.96Å; F79-T82 PolarHBondContact O-OG1 2.98Å; F79-V83 HydrophobicContact CD1-CG2 4.41Å; F79-Y108 HydrophobicContact CD2-CD2 4.04Å; F79-Y108 HydrophobicContact CD2-CE2 4.36Å; F79-Y108 HydrophobicContact CD2-CG 4.49Å; F79-Y108 HydrophobicContact CE1-CE2 4.42Å; F79-Y108 AromaticContact CE2-CD2 3.38Å; F79-Y108 HydrophobicContact CE2-CD2 3.38Å; F79-Y108 HydrophobicContact CE2-CE1 4.42Å; F79-Y108 AromaticContact CE2-CE2 3.29Å; F79-Y108 HydrophobicContact CE2-CE2 3.29Å; F79-Y108 HydrophobicContact CE2-CG 4.05Å; F79-Y108 AromaticContact CE2-CZ 3.86Å; F79-Y108 AromaticContact CZ-CD2 3.73Å; F79-Y108 HydrophobicContact CZ-CD2 3.73Å; F79-Y108 AromaticContact CZ-CE2 3.33Å; F79-Y108 HydrophobicContact CZ-CE2 3.33Å; F79-F112 HydrophobicContact CE2-CB 4.47Å; F79-W248 HydrophobicContact CE2-CH2 4.11Å; F79-W248 HydrophobicContact CE2-CZ2 4.28Å; F79-W248 AromaticContact CZ-CH2 3.95Å; F79-W248 HydrophobicContact CZ-CH2 3.95Å; F79-W248 HydrophobicContact CZ-CZ2 4.1Å; F79-M287 HydrophobicContact CE1-CB 3.98Å; F79-M287 HydrophobicContact CE1-CG 3.79Å; F79-M287 HydrophobicContact CZ-CB 4.34Å; F79-M287 HydrophobicContact CZ-CG 3.76Å; F79-C290 HydrophobicContact CD1-CB 4.2Å |
| 80 | L | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.9 | -36.6 | -179.4 | -79 | 161.2 | 0 | 0 | 0 | 113.5 | V40 F41 G44 D76 L77 T82 V83 P84 C290 | V40-L80 HydrophobicContact CG1-CD2 4.31Å; F41-L80 HydrophobicContact CD2-CB 4.48Å; F41-L80 VanDerWaalsContact CD2-O 3.3Å; F41-L80 WeakPolarHBondContact CD2-O 3.44Å; G44-L80 WeakPolarHBondContact O-CD1 3.03Å; D76-L80 WeakPolarHBondContact O-CB 3.46Å; D76-L80 WeakPolarHBondContact O-CD1 3.48Å; D76-L80 WeakPolarHBondContact O-CG 3.46Å; D76-L80 PolarHBondContact O-N 3.25Å; L77-L80 HydrophobicContact CD2-CD1 4.25Å; L77-L80 PolarHBondContact O-N 2.88Å; L80-T82 PolarHBondContact O-N 2.83Å; L80-T82 VanDerWaalsContact O-N 3.13Å; L80-V83 WeakPolarHBondContact O-CB 3.29Å; L80-V83 PolarHBondContact O-N 2.79Å; L80-V83 VanDerWaalsContact O-N 3.07Å; L80-P84 VanDerWaalsContact O-CD 3.31Å; L80-P84 WeakPolarHBondContact O-CD 3.19Å; L80-C290 WeakPolarHBondContact CD2-SG 3.42Å; L80-C290 HydrophobicContact CG-CB 4.26Å |
| 81 | L | 95.9 | Very high | 94.2 | Very high | 78 Ų | 78 | 29.1 Ų | 29.1 | 41% | 0.408 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.4 | -22.7 | 177.5 | -73.1 | 171.8 | 0 | 0 | 0 | 112.7 | L77 F78 F79 F85 | L77-L81 VanDerWaalsContact O-CG 3.27Å; L77-L81 WeakPolarHBondContact O-CG 3.46Å; L77-L81 PolarHBondContact O-N 3.47Å; F78-L81 HydrophobicContact CD1-CD1 4.49Å; F79-L81 VanDerWaalsContact C-N 3.33Å; F79-L81 PolarHBondContact O-N 3.38Å; L81-F85 WeakPolarHBondContact O-CD2 3.49Å; L81-F85 WeakPolarHBondContact O-CE2 3.28Å |
| 82 | T | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -85.4 | -24.1 | 177.3 | 74.4 | 0 | 0 | 0 | 0 | 113.4 | F79 L80 F85 W86 L104 L107 | F79-T82 PolarHBondContact O-N 2.96Å; F79-T82 PolarHBondContact O-OG1 2.98Å; L80-T82 PolarHBondContact O-N 2.83Å; L80-T82 VanDerWaalsContact O-N 3.13Å; T82-F85 WeakPolarHBondContact O-CB 3.43Å; T82-F85 PolarHBondContact O-N 3.28Å; T82-F85 VanDerWaalsContact O-N 3.07Å; T82-W86 PolarHBondContact O-N 3.4Å; T82-W86 PolarHBondContact OG1-NE1 3.47Å; T82-W86 VanDerWaalsContact OG1-NE1 3.12Å; T82-L104 HydrophobicContact CG2-CB 4.44Å; T82-L104 HydrophobicContact CG2-CD2 3.96Å; T82-L104 WeakPolarHBondContact CG2-O 3.36Å; T82-L107 HydrophobicContact CG2-CB 3.57Å |
| 83 | V | 94.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.9 | -42.5 | -172 | 175.8 | 0 | 0 | 0 | 0 | 113.7 | Y37 F41 F79 L80 F85 W86 A87 | Y37-V83 HydrophobicContact CG-CG1 4.09Å; Y37-V83 VanDerWaalsContact O-CG1 3.31Å; Y37-V83 WeakPolarHBondContact O-CG1 3.39Å; F41-V83 HydrophobicContact CB-CG1 4.3Å; F79-V83 HydrophobicContact CD1-CG2 4.41Å; L80-V83 WeakPolarHBondContact O-CB 3.29Å; L80-V83 PolarHBondContact O-N 2.79Å; L80-V83 VanDerWaalsContact O-N 3.07Å; V83-F85 VanDerWaalsContact C-N 3.25Å; V83-F85 PolarHBondContact O-N 3.22Å; V83-W86 PolarHBondContact O-N 2.86Å; V83-A87 WeakPolarHBondContact O-CB 3.08Å; V83-A87 PolarHBondContact O-N 2.94Å |
| 84 | P | 94.6 | Very high | 93.5 | Very high | 54 Ų | 54 | 33 Ų | 33 | 35% | 0.351 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60 | -34.2 | 176.9 | -25.6 | 35.5 | 0 | 0 | 0 | 113.7 | F41 L80 A87 H88 | F41-P84 HydrophobicContact CD1-CG 4.33Å; F41-P84 HydrophobicContact CD2-CG 3.7Å; F41-P84 HydrophobicContact CE1-CG 4.41Å; F41-P84 HydrophobicContact CE2-CG 3.79Å; F41-P84 HydrophobicContact CG-CG 3.98Å; F41-P84 HydrophobicContact CZ-CG 4.16Å; L80-P84 VanDerWaalsContact O-CD 3.31Å; L80-P84 WeakPolarHBondContact O-CD 3.19Å; P84-A87 WeakPolarHBondContact O-CB 3.33Å; P84-A87 PolarHBondContact O-N 3.28Å; P84-H88 PolarHBondContact O-N 3.5Å |
| 85 | F | 94.9 | Very high | 93.4 | Very high | 51 Ų | 51 | 34.7 Ų | 34.7 | 22% | 0.224 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.5 | -40.1 | 178.6 | -61.3 | -90.4 | 0 | 0 | 0 | 111.3 | L81 T82 V83 A87 H88 Y89 F96 M100 L104 | L81-F85 WeakPolarHBondContact O-CD2 3.49Å; L81-F85 WeakPolarHBondContact O-CE2 3.28Å; T82-F85 WeakPolarHBondContact O-CB 3.43Å; T82-F85 PolarHBondContact O-N 3.28Å; T82-F85 VanDerWaalsContact O-N 3.07Å; V83-F85 VanDerWaalsContact C-N 3.25Å; V83-F85 PolarHBondContact O-N 3.22Å; F85-A87 VanDerWaalsContact C-N 3.29Å; F85-A87 PolarHBondContact O-N 3.34Å; F85-H88 PolarHBondContact O-N 2.98Å; F85-Y89 WeakPolarHBondContact O-CB 3.13Å; F85-Y89 PolarHBondContact O-N 2.81Å; F85-F96 HydrophobicContact CB-CE2 4.26Å; F85-F96 AromaticContact CD1-CD1 3.9Å; F85-F96 HydrophobicContact CD1-CD1 3.9Å; F85-F96 AromaticContact CD1-CD2 3.94Å; F85-F96 HydrophobicContact CD1-CD2 3.94Å; F85-F96 AromaticContact CD1-CE1 3.71Å; F85-F96 HydrophobicContact CD1-CE1 3.71Å; F85-F96 AromaticContact CD1-CE2 3.75Å; F85-F96 HydrophobicContact CD1-CE2 3.75Å; F85-F96 HydrophobicContact CD1-CG 4.01Å; F85-F96 AromaticContact CD1-CZ 3.64Å; F85-F96 HydrophobicContact CD1-CZ 3.64Å; F85-F96 AromaticContact CE1-CD1 4Å; F85-F96 HydrophobicContact CE1-CD1 4Å; F85-F96 AromaticContact CE1-CE1 3.89Å; F85-F96 HydrophobicContact CE1-CE1 3.89Å; F85-F96 HydrophobicContact CE1-CG 4.46Å; F85-F96 HydrophobicContact CE1-CZ 4.26Å; F85-M100 HydrophobicContact CD1-CE 4.25Å; F85-M100 HydrophobicContact CE1-CE 3.43Å; F85-M100 VanDerWaalsContact CE1-CE 3.43Å; F85-M100 HydrophobicContact CE2-CE 4.08Å; F85-M100 HydrophobicContact CZ-CE 3.34Å; F85-L104 HydrophobicContact CB-CD1 3.53Å; F85-L104 HydrophobicContact CD1-CD1 3.63Å; F85-L104 HydrophobicContact CD2-CD1 3.82Å; F85-L104 HydrophobicContact CD2-CD2 3.69Å; F85-L104 HydrophobicContact CD2-CG 4.45Å; F85-L104 HydrophobicContact CE1-CD1 4.28Å; F85-L104 HydrophobicContact CE2-CD1 4.44Å; F85-L104 HydrophobicContact CE2-CD2 3.96Å; F85-L104 HydrophobicContact CG-CD1 3.37Å; F85-L104 HydrophobicContact CG-CD2 4.15Å; F85-L104 HydrophobicContact CG-CG 4.43Å |
| 86 | W | 92.8 | Very high | 93.2 | Very high | 36 Ų | 36 | 38 Ų | 38 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.8 | -32.6 | 172.8 | -58.2 | 124.6 | 0 | 0 | 0 | 112.3 | Y37 T82 V83 Y89 A90 W94 L104 | Y37-W86 HydrophobicContact CD2-CB 4.3Å; Y37-W86 HydrophobicContact CE2-CB 4.12Å; T82-W86 PolarHBondContact O-N 3.4Å; T82-W86 PolarHBondContact OG1-NE1 3.47Å; T82-W86 VanDerWaalsContact OG1-NE1 3.12Å; V83-W86 PolarHBondContact O-N 2.86Å; W86-Y89 HydrophobicContact CE3-CD1 4.07Å; W86-Y89 HydrophobicContact CZ3-CD1 4.34Å; W86-Y89 PolarHBondContact O-N 3.36Å; W86-A90 WeakPolarHBondContact O-CB 3.2Å; W86-A90 PolarHBondContact O-N 3.05Å; W86-W94 HydrophobicContact CE3-CZ3 4.12Å; W86-W94 HydrophobicContact CH2-CZ3 4.29Å; W86-W94 HydrophobicContact CZ3-CH2 4.4Å; W86-W94 AromaticContact CZ3-CZ3 3.76Å; W86-W94 HydrophobicContact CZ3-CZ3 3.76Å; W86-L104 HydrophobicContact CZ2-CB 4.45Å |
| 87 | A | 92 | Very high | 93 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 7% | 0.066 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -46.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P34 Y37 V83 P84 F85 A90 A91 | P34-A87 HydrophobicContact CB-CB 4.38Å; Y37-A87 HydrophobicContact CD2-CB 4.03Å; Y37-A87 HydrophobicContact CG-CB 4.46Å; V83-A87 WeakPolarHBondContact O-CB 3.08Å; V83-A87 PolarHBondContact O-N 2.94Å; P84-A87 WeakPolarHBondContact O-CB 3.33Å; P84-A87 PolarHBondContact O-N 3.28Å; F85-A87 VanDerWaalsContact C-N 3.29Å; F85-A87 PolarHBondContact O-N 3.34Å; A87-A90 PolarHBondContact O-N 3.37Å; A87-A91 PolarHBondContact O-N 2.88Å; A87-A91 VanDerWaalsContact O-N 3.15Å |
| 88 | H | 93.5 | Very high | 92.9 | Very high | 72 Ų | 72 | 41.3 Ų | 41.3 | 33% | 0.333 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 173.7 | -178.1 | 77.3 | 0 | 0 | 0 | 111.6 | P84 F85 A90 A91 A92 D95 F96 | P84-H88 PolarHBondContact O-N 3.5Å; F85-H88 PolarHBondContact O-N 2.98Å; H88-A90 VanDerWaalsContact C-N 3.29Å; H88-A90 PolarHBondContact O-N 2.79Å; H88-A91 PolarHBondContact O-N 3.32Å; H88-A91 VanDerWaalsContact O-N 3.09Å; H88-A92 PolarHBondContact O-N 3Å; H88-D95 IonicContact CD2-OD2 3.72Å; H88-D95 IonicContact CE1-OD2 3.74Å; H88-D95 IonicContact NE2-OD2 2.71Å; H88-D95 PolarHBondContact NE2-OD2 2.91Å; H88-F96 HydrophobicContact CB-CE2 4.26Å; H88-F96 HydrophobicContact CB-CZ 4.14Å; H88-F96 AromaticContact CD2-CE2 3.62Å; H88-F96 AromaticContact CD2-CZ 3.65Å; H88-F96 AromaticContact CG-CZ 3.97Å |
| 89 | Y | 91.3 | Very high | 92.8 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 26% | 0.259 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 178.7 | 178.7 | -122.7 | 0 | 0 | 0 | 112.5 | F85 W86 W94 | F85-Y89 WeakPolarHBondContact O-CB 3.13Å; F85-Y89 PolarHBondContact O-N 2.81Å; W86-Y89 HydrophobicContact CE3-CD1 4.07Å; W86-Y89 HydrophobicContact CZ3-CD1 4.34Å; W86-Y89 PolarHBondContact O-N 3.36Å; Y89-W94 HydrophobicContact CD2-CB 3.89Å; Y89-W94 AromaticContact CD2-CE3 3.87Å; Y89-W94 HydrophobicContact CD2-CE3 3.87Å; Y89-W94 HydrophobicContact CE2-CB 3.93Å; Y89-W94 AromaticContact CG-CE3 3.97Å; Y89-W94 HydrophobicContact CG-CE3 3.97Å |
| 90 | A | 87.8 | Confident | 92.8 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A30 L33 W86 A87 H88 | A30-A90 VanDerWaalsContact CA-O 3.22Å; A30-A90 WeakPolarHBondContact CA-O 3.34Å; A30-A90 WeakPolarHBondContact CB-O 3.34Å; L33-A90 HydrophobicContact CB-CB 3.92Å; L33-A90 HydrophobicContact CD1-CB 3.92Å; W86-A90 WeakPolarHBondContact O-CB 3.2Å; W86-A90 PolarHBondContact O-N 3.05Å; A87-A90 PolarHBondContact O-N 3.37Å; H88-A90 VanDerWaalsContact C-N 3.29Å; H88-A90 PolarHBondContact O-N 2.79Å |
| 91 | A | 88 | Confident | 92.8 | Very high | 56 Ų | 56 | 45.6 Ų | 45.6 | 46% | 0.463 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -74.3 | -35.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P34 A87 H88 | P34-A91 HydrophobicContact CB-CB 4.42Å; P34-A91 HydrophobicContact CG-CB 3.71Å; A87-A91 PolarHBondContact O-N 2.88Å; A87-A91 VanDerWaalsContact O-N 3.15Å; H88-A91 PolarHBondContact O-N 3.32Å; H88-A91 VanDerWaalsContact O-N 3.09Å |
| 92 | A | 88.6 | Confident | 92.8 | Very high | 49 Ų | 49 | 44.5 Ų | 44.5 | 41% | 0.405 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -134.1 | -107 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H88 | H88-A92 PolarHBondContact O-N 3Š|
| 93 | Q | 89 | Confident | 92.8 | Very high | 49 Ų | 49 | 49.3 Ų | 49.3 | 23% | 0.229 | 28% | 0.277 | C | S | . | . | trans | -148.1 | 179.3 | -177.7 | 69.6 | -176.6 | 3.7 | 0 | 0 | 110.1 | D95 H175 | Q93-D95 WeakPolarHBondContact CG-OD1 3.39Å; Q93-D95 PolarHBondContact NE2-OD1 3.49Å; Q93-D95 PolarHBondContact O-N 2.95Å; Q93-H175 HydrophobicContact CB-CB 4.29Å; Q93-H175 PolarHBondContact OE1-ND1 3.25Å; Q93-H175 VanDerWaalsContact OE1-ND1 3.16Å | ||
| 94 | W | 93.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | trans | -84.6 | 97.1 | 178.1 | -169.9 | -94 | 0 | 0 | 0 | 112.4 | W86 Y89 F96 G97 M100 C101 L104 Y176 C178 | W86-W94 HydrophobicContact CE3-CZ3 4.12Å; W86-W94 HydrophobicContact CH2-CZ3 4.29Å; W86-W94 HydrophobicContact CZ3-CH2 4.4Å; W86-W94 AromaticContact CZ3-CZ3 3.76Å; W86-W94 HydrophobicContact CZ3-CZ3 3.76Å; Y89-W94 HydrophobicContact CD2-CB 3.89Å; Y89-W94 AromaticContact CD2-CE3 3.87Å; Y89-W94 HydrophobicContact CD2-CE3 3.87Å; Y89-W94 HydrophobicContact CE2-CB 3.93Å; Y89-W94 AromaticContact CG-CE3 3.97Å; Y89-W94 HydrophobicContact CG-CE3 3.97Å; W94-F96 HydrophobicContact CD2-CD2 4.21Å; W94-F96 HydrophobicContact CE3-CD2 4.24Å; W94-F96 HydrophobicContact CH2-CD2 4.15Å; W94-F96 HydrophobicContact CZ2-CB 3.91Å; W94-F96 HydrophobicContact CZ2-CD2 4.04Å; W94-F96 HydrophobicContact CZ2-CG 4.44Å; W94-F96 HydrophobicContact CZ3-CD2 4.23Å; W94-G97 PolarHBondContact NE1-O 3.4Å; W94-M100 HydrophobicContact CZ2-CB 4.48Å; W94-C101 HydrophobicContact CZ2-CB 3.65Å; W94-L104 HydrophobicContact CH2-CD1 3.57Å; W94-L104 HydrophobicContact CZ2-CD1 4.1Å; W94-Y176 WeakPolarHBondContact CB-O 3.37Å; W94-Y176 PolarHBondContact N-O 2.53Å; W94-Y176 WeakPolarHBondContact O-CB 3.23Å; W94-C178 HydrophobicContact CB-CB 4.39Å; W94-C178 HydrophobicContact CD2-CB 3.44Å; W94-C178 VanDerWaalsContact CD2-CB 3.44Å; W94-C178 HydrophobicContact CE3-CB 3.61Å; W94-C178 HydrophobicContact CG-CB 3.78Å; W94-C178 HydrophobicContact CH2-CB 4.41Å; W94-C178 HydrophobicContact CZ2-CB 4.34Å; W94-C178 HydrophobicContact CZ3-CB 4.08Å | ||
| 95 | D | 93.3 | Very high | 93 | Very high | 87 Ų | 87 | 47.3 Ų | 47.3 | 47% | 0.465 | 26% | 0.264 | S | S | . | . | trans | -96.2 | -2.1 | -177.9 | -59.2 | -51.1 | 0 | 0 | 0 | 114.2 | H88 Q93 | H88-D95 IonicContact CD2-OD2 3.72Å; H88-D95 IonicContact CE1-OD2 3.74Å; H88-D95 IonicContact NE2-OD2 2.71Å; H88-D95 PolarHBondContact NE2-OD2 2.91Å; Q93-D95 WeakPolarHBondContact CG-OD1 3.39Å; Q93-D95 PolarHBondContact NE2-OD1 3.49Å; Q93-D95 PolarHBondContact O-N 2.95Å | ||
| 96 | F | 92.9 | Very high | 93 | Very high | 71 Ų | 71 | 45 Ų | 45 | 31% | 0.311 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -91.7 | 0.1 | -170.2 | -51 | -75.1 | 0 | 0 | 0 | 114.7 | F85 H88 W94 M100 | F85-F96 HydrophobicContact CB-CE2 4.26Å; F85-F96 AromaticContact CD1-CD1 3.9Å; F85-F96 HydrophobicContact CD1-CD1 3.9Å; F85-F96 AromaticContact CD1-CD2 3.94Å; F85-F96 HydrophobicContact CD1-CD2 3.94Å; F85-F96 AromaticContact CD1-CE1 3.71Å; F85-F96 HydrophobicContact CD1-CE1 3.71Å; F85-F96 AromaticContact CD1-CE2 3.75Å; F85-F96 HydrophobicContact CD1-CE2 3.75Å; F85-F96 HydrophobicContact CD1-CG 4.01Å; F85-F96 AromaticContact CD1-CZ 3.64Å; F85-F96 HydrophobicContact CD1-CZ 3.64Å; F85-F96 AromaticContact CE1-CD1 4Å; F85-F96 HydrophobicContact CE1-CD1 4Å; F85-F96 AromaticContact CE1-CE1 3.89Å; F85-F96 HydrophobicContact CE1-CE1 3.89Å; F85-F96 HydrophobicContact CE1-CG 4.46Å; F85-F96 HydrophobicContact CE1-CZ 4.26Å; H88-F96 HydrophobicContact CB-CE2 4.26Å; H88-F96 HydrophobicContact CB-CZ 4.14Å; H88-F96 AromaticContact CD2-CE2 3.62Å; H88-F96 AromaticContact CD2-CZ 3.65Å; H88-F96 AromaticContact CG-CZ 3.97Å; W94-F96 HydrophobicContact CD2-CD2 4.21Å; W94-F96 HydrophobicContact CE3-CD2 4.24Å; W94-F96 HydrophobicContact CH2-CD2 4.15Å; W94-F96 HydrophobicContact CZ2-CB 3.91Å; W94-F96 HydrophobicContact CZ2-CD2 4.04Å; W94-F96 HydrophobicContact CZ2-CG 4.44Å; W94-F96 HydrophobicContact CZ3-CD2 4.23Å; F96-M100 HydrophobicContact CB-CB 3.72Å; F96-M100 HydrophobicContact CB-CG 3.78Å; F96-M100 VanDerWaalsContact O-CB 3.23Å; F96-M100 WeakPolarHBondContact O-CB 3.42Å |
| 97 | G | 93.1 | Very high | 93.2 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 34% | 0.34 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | 73 | 177.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | W94 C101 | W94-G97 PolarHBondContact NE1-O 3.4Å; G97-C101 PolarHBondContact O-N 2.78Å |
| 98 | N | 93.8 | Very high | 93.4 | Very high | 59 Ų | 59 | 45.5 Ų | 45.5 | 32% | 0.316 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.5 | -38.5 | -171.6 | -176 | 73.6 | 0 | 0 | 0 | 113.9 | M100 C101 Q102 R168 S169 | N98-M100 PolarHBondContact O-N 3.03Å; N98-C101 WeakPolarHBondContact O-CB 3.49Å; N98-C101 PolarHBondContact O-N 2.91Å; N98-Q102 PolarHBondContact O-N 3.24Å; N98-R168 VanDerWaalsContact OD1-CA 3.27Å; N98-R168 WeakPolarHBondContact OD1-CA 3.36Å; N98-S169 PolarHBondContact OD1-N 3.05Å |
| 99 | T | 94 | Very high | 93.5 | Very high | 112 Ų | 112 | 43.1 Ų | 43.1 | 69% | 0.687 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.5 | -44.6 | -178.9 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | C101 Q102 L103 | T99-C101 VanDerWaalsContact C-N 3.35Å; T99-Q102 PolarHBondContact O-N 3.12Å; T99-L103 WeakPolarHBondContact O-CB 3.24Å; T99-L103 PolarHBondContact O-N 3Å |
| 100 | M | 94.9 | Very high | 93.8 | Very high | 51 Ų | 51 | 41.1 Ų | 41.1 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.8 | -34.8 | 177.3 | -160.3 | 62.5 | 167.6 | 0 | 0 | 111.7 | F85 W94 F96 N98 L103 L104 | F85-M100 HydrophobicContact CD1-CE 4.25Å; F85-M100 HydrophobicContact CE1-CE 3.43Å; F85-M100 VanDerWaalsContact CE1-CE 3.43Å; F85-M100 HydrophobicContact CE2-CE 4.08Å; F85-M100 HydrophobicContact CZ-CE 3.34Å; W94-M100 HydrophobicContact CZ2-CB 4.48Å; F96-M100 HydrophobicContact CB-CB 3.72Å; F96-M100 HydrophobicContact CB-CG 3.78Å; F96-M100 VanDerWaalsContact O-CB 3.23Å; F96-M100 WeakPolarHBondContact O-CB 3.42Å; N98-M100 PolarHBondContact O-N 3.03Å; M100-L103 PolarHBondContact O-N 2.88Å; M100-L103 HydrophobicContact SD-CD2 4.08Å; M100-L104 HydrophobicContact CE-CD1 4.13Å; M100-L104 HydrophobicContact CE-CD2 4.17Å; M100-L104 HydrophobicContact CE-CG 4.22Å; M100-L104 HydrophobicContact CG-CD1 3.66Å; M100-L104 HydrophobicContact CG-CG 4.08Å; M100-L104 VanDerWaalsContact O-CB 3.29Å; M100-L104 WeakPolarHBondContact O-CB 3.42Å; M100-L104 VanDerWaalsContact O-CG 3.23Å; M100-L104 WeakPolarHBondContact O-CG 3.16Å; M100-L104 PolarHBondContact O-N 3.38Å; M100-L104 HydrophobicContact SD-CD1 4.41Å; M100-L104 HydrophobicContact SD-CG 4.32Å |
| 101 | C | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.3 | -51.1 | 174.4 | 173 | 0 | 0 | 0 | 0 | 110.6 | W94 G97 N98 T99 L103 L104 T105 T167 C178 | W94-C101 HydrophobicContact CZ2-CB 3.65Å; G97-C101 PolarHBondContact O-N 2.78Å; N98-C101 WeakPolarHBondContact O-CB 3.49Å; N98-C101 PolarHBondContact O-N 2.91Å; T99-C101 VanDerWaalsContact C-N 3.35Å; C101-L103 PolarHBondContact O-N 3.4Å; C101-L104 PolarHBondContact O-N 3Å; C101-T105 VanDerWaalsContact O-CB 3.31Å; C101-T105 WeakPolarHBondContact O-CB 3.27Å; C101-T105 PolarHBondContact O-N 2.83Å; C101-T105 PolarHBondContact O-OG1 3.41Å; C101-T167 VanDerWaalsContact SG-CG2 3.55Å; C101-C178 VanDerWaalsContact CA-SG 3.59Å; C101-C178 HydrophobicContact CB-CB 3.93Å; C101-C178 WeakPolarHBondContact CB-SG 3.47Å; C101-C178 WeakPolarHBondContact SG-CB 3.37Å; C101-C178 CovalentContact SG-SG 2.03Å; C101-C178 PolarHBondContact SG-SG 3.32Å |
| 102 | Q | 95.3 | Very high | 94.6 | Very high | 56 Ų | 56 | 38 Ų | 38 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 178.1 | -70 | 179.2 | -27.4 | 0 | 0 | 112.9 | N98 T99 G106 I164 T167 | N98-Q102 PolarHBondContact O-N 3.24Å; T99-Q102 PolarHBondContact O-N 3.12Å; Q102-G106 PolarHBondContact O-N 3.32Å; Q102-I164 HydrophobicContact CB-CG2 4.2Å; Q102-T167 WeakPolarHBondContact CG-O 3.31Å; Q102-T167 PolarHBondContact NE2-O 3.24Å |
| 103 | L | 96.1 | Very high | 95 | Very high | 101 Ų | 101 | 35.7 Ų | 35.7 | 53% | 0.529 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.6 | -48.5 | 178.9 | -180 | 64 | 0 | 0 | 0 | 111.9 | T99 M100 C101 G106 L107 | T99-L103 WeakPolarHBondContact O-CB 3.24Å; T99-L103 PolarHBondContact O-N 3Å; M100-L103 PolarHBondContact O-N 2.88Å; M100-L103 HydrophobicContact SD-CD2 4.08Å; C101-L103 PolarHBondContact O-N 3.4Å; L103-G106 WeakPolarHBondContact O-CA 3.27Å; L103-G106 PolarHBondContact O-N 3.12Å; L103-L107 HydrophobicContact CG-CD1 4.41Å; L103-L107 PolarHBondContact O-N 3.26Å |
| 104 | L | 96.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.9 | -38.9 | -178.2 | -69 | 172.4 | 0 | 0 | 0 | 111.7 | T82 F85 W86 W94 M100 C101 G106 L107 Y108 | T82-L104 HydrophobicContact CG2-CB 4.44Å; T82-L104 HydrophobicContact CG2-CD2 3.96Å; T82-L104 WeakPolarHBondContact CG2-O 3.36Å; F85-L104 HydrophobicContact CB-CD1 3.53Å; F85-L104 HydrophobicContact CD1-CD1 3.63Å; F85-L104 HydrophobicContact CD2-CD1 3.82Å; F85-L104 HydrophobicContact CD2-CD2 3.69Å; F85-L104 HydrophobicContact CD2-CG 4.45Å; F85-L104 HydrophobicContact CE1-CD1 4.28Å; F85-L104 HydrophobicContact CE2-CD1 4.44Å; F85-L104 HydrophobicContact CE2-CD2 3.96Å; F85-L104 HydrophobicContact CG-CD1 3.37Å; F85-L104 HydrophobicContact CG-CD2 4.15Å; F85-L104 HydrophobicContact CG-CG 4.43Å; W86-L104 HydrophobicContact CZ2-CB 4.45Å; W94-L104 HydrophobicContact CH2-CD1 3.57Å; W94-L104 HydrophobicContact CZ2-CD1 4.1Å; M100-L104 HydrophobicContact CE-CD1 4.13Å; M100-L104 HydrophobicContact CE-CD2 4.17Å; M100-L104 HydrophobicContact CE-CG 4.22Å; M100-L104 HydrophobicContact CG-CD1 3.66Å; M100-L104 HydrophobicContact CG-CG 4.08Å; M100-L104 VanDerWaalsContact O-CB 3.29Å; M100-L104 WeakPolarHBondContact O-CB 3.42Å; M100-L104 VanDerWaalsContact O-CG 3.23Å; M100-L104 WeakPolarHBondContact O-CG 3.16Å; M100-L104 PolarHBondContact O-N 3.38Å; M100-L104 HydrophobicContact SD-CD1 4.41Å; M100-L104 HydrophobicContact SD-CG 4.32Å; C101-L104 PolarHBondContact O-N 3Å; L104-G106 VanDerWaalsContact C-N 3.28Å; L104-G106 PolarHBondContact O-N 3.29Å; L104-L107 PolarHBondContact O-N 2.91Å; L104-Y108 VanDerWaalsContact O-CB 3.29Å; L104-Y108 WeakPolarHBondContact O-CB 3.46Å; L104-Y108 PolarHBondContact O-N 2.87Å |
| 105 | T | 95.6 | Very high | 95.5 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61 | -39.4 | 170.2 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | C101 Y108 F109 T167 | C101-T105 VanDerWaalsContact O-CB 3.31Å; C101-T105 WeakPolarHBondContact O-CB 3.27Å; C101-T105 PolarHBondContact O-N 2.83Å; C101-T105 PolarHBondContact O-OG1 3.41Å; T105-Y108 PolarHBondContact O-N 3.35Å; T105-F109 HydrophobicContact CG2-CD2 3.65Å; T105-F109 HydrophobicContact CG2-CE2 3.53Å; T105-F109 VanDerWaalsContact O-CD2 3.25Å; T105-F109 WeakPolarHBondContact O-CD2 3.08Å; T105-F109 PolarHBondContact O-N 2.92Å; T105-T167 HydrophobicContact CG2-CG2 4.08Å; T105-T167 WeakPolarHBondContact OG1-CG2 3.49Å |
| 106 | G | 96.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -52 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q102 L103 L104 Y108 F109 I110 I164 | Q102-G106 PolarHBondContact O-N 3.32Å; L103-G106 WeakPolarHBondContact O-CA 3.27Å; L103-G106 PolarHBondContact O-N 3.12Å; L104-G106 VanDerWaalsContact C-N 3.28Å; L104-G106 PolarHBondContact O-N 3.29Å; G106-Y108 VanDerWaalsContact C-N 3.3Å; G106-Y108 PolarHBondContact O-N 3.22Å; G106-F109 PolarHBondContact O-N 3.44Å; G106-I110 VanDerWaalsContact O-CB 3.26Å; G106-I110 WeakPolarHBondContact O-CB 3.41Å; G106-I110 WeakPolarHBondContact O-CD1 3.33Å; G106-I110 WeakPolarHBondContact O-CG1 3.3Å; G106-I110 PolarHBondContact O-N 3.28Å; G106-I164 VanDerWaalsContact CA-CG1 3.5Å |
| 107 | L | 96.9 | Very high | 95.9 | Very high | 40 Ų | 40 | 27.2 Ų | 27.2 | 21% | 0.209 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.5 | -39.1 | 177.8 | -71.9 | 174.7 | 0 | 0 | 0 | 112.4 | F78 T82 L103 L104 G111 | F78-L107 HydrophobicContact CB-CD2 4.48Å; F78-L107 HydrophobicContact CD1-CD2 4.43Å; F78-L107 HydrophobicContact CG-CD2 4.34Å; T82-L107 HydrophobicContact CG2-CB 3.57Å; L103-L107 HydrophobicContact CG-CD1 4.41Å; L103-L107 PolarHBondContact O-N 3.26Å; L104-L107 PolarHBondContact O-N 2.91Å; L107-G111 PolarHBondContact O-N 2.97Å |
| 108 | Y | 95.8 | Very high | 96 | Very high | 14 Ų | 14 | 25.6 Ų | 25.6 | 6% | 0.055 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.3 | -53.7 | 175 | 174.7 | -86.1 | 0 | 0 | 0 | 111.2 | F79 L104 T105 G106 G111 F112 E283 M287 | F79-Y108 HydrophobicContact CD2-CD2 4.04Å; F79-Y108 HydrophobicContact CD2-CE2 4.36Å; F79-Y108 HydrophobicContact CD2-CG 4.49Å; F79-Y108 HydrophobicContact CE1-CE2 4.42Å; F79-Y108 AromaticContact CE2-CD2 3.38Å; F79-Y108 HydrophobicContact CE2-CD2 3.38Å; F79-Y108 HydrophobicContact CE2-CE1 4.42Å; F79-Y108 AromaticContact CE2-CE2 3.29Å; F79-Y108 HydrophobicContact CE2-CE2 3.29Å; F79-Y108 HydrophobicContact CE2-CG 4.05Å; F79-Y108 AromaticContact CE2-CZ 3.86Å; F79-Y108 AromaticContact CZ-CD2 3.73Å; F79-Y108 HydrophobicContact CZ-CD2 3.73Å; F79-Y108 AromaticContact CZ-CE2 3.33Å; F79-Y108 HydrophobicContact CZ-CE2 3.33Å; L104-Y108 VanDerWaalsContact O-CB 3.29Å; L104-Y108 WeakPolarHBondContact O-CB 3.46Å; L104-Y108 PolarHBondContact O-N 2.87Å; T105-Y108 PolarHBondContact O-N 3.35Å; G106-Y108 VanDerWaalsContact C-N 3.3Å; G106-Y108 PolarHBondContact O-N 3.22Å; Y108-G111 PolarHBondContact O-N 3.39Å; Y108-F112 WeakPolarHBondContact O-CB 3.14Å; Y108-F112 PolarHBondContact O-N 3.38Å; Y108-E283 PolarHBondContact OH-OE1 2.89Å; Y108-M287 HydrophobicContact CE2-CE 3.77Å |
| 109 | F | 96 | Very high | 96 | Very high | 21 Ų | 21 | 23 Ų | 23 | 9% | 0.092 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.6 | -37.3 | -179.2 | -77.9 | -60 | 0 | 0 | 0 | 112.7 | T105 G106 F112 F113 S160 I198 | T105-F109 HydrophobicContact CG2-CD2 3.65Å; T105-F109 HydrophobicContact CG2-CE2 3.53Å; T105-F109 VanDerWaalsContact O-CD2 3.25Å; T105-F109 WeakPolarHBondContact O-CD2 3.08Å; T105-F109 PolarHBondContact O-N 2.92Å; G106-F109 PolarHBondContact O-N 3.44Å; F109-F112 PolarHBondContact O-N 3.49Å; F109-F113 HydrophobicContact CB-CD2 4.22Å; F109-F113 HydrophobicContact CB-CE2 4.15Å; F109-F113 AromaticContact CD1-CE2 3.92Å; F109-F113 HydrophobicContact CD1-CE2 3.92Å; F109-F113 HydrophobicContact CG-CE2 4.37Å; F109-F113 WeakPolarHBondContact O-CB 3.29Å; F109-F113 WeakPolarHBondContact O-CD2 3.4Å; F109-F113 PolarHBondContact O-N 2.97Å; F109-S160 VanDerWaalsContact C-OG 3.23Å; F109-S160 WeakPolarHBondContact CB-OG 3.25Å; F109-I198 HydrophobicContact CE1-CD1 4.06Å |
| 110 | I | 97.4 | Very high | 96.1 | Very high | 24 Ų | 24 | 18.3 Ų | 18.3 | 12% | 0.123 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.3 | -49.8 | 176 | -73.6 | 167 | 0 | 0 | 0 | 109.2 | F78 G106 F112 F113 S114 W153 V157 S160 | F78-I110 HydrophobicContact CD2-CG2 4.05Å; G106-I110 VanDerWaalsContact O-CB 3.26Å; G106-I110 WeakPolarHBondContact O-CB 3.41Å; G106-I110 WeakPolarHBondContact O-CD1 3.33Å; G106-I110 WeakPolarHBondContact O-CG1 3.3Å; G106-I110 PolarHBondContact O-N 3.28Å; I110-F112 VanDerWaalsContact C-N 3.33Å; I110-F112 PolarHBondContact O-N 3.47Å; I110-F113 PolarHBondContact O-N 3.33Å; I110-S114 WeakPolarHBondContact O-CB 3.39Å; I110-S114 PolarHBondContact O-N 3.45Å; I110-S114 PolarHBondContact O-OG 2.93Å; I110-W153 HydrophobicContact CG2-CE3 4.08Å; I110-W153 HydrophobicContact CG2-CZ3 3.61Å; I110-V157 HydrophobicContact CD1-CG2 3.97Å; I110-V157 HydrophobicContact CG1-CG2 4.21Å; I110-S160 WeakPolarHBondContact CA-OG 3.36Å; I110-S160 WeakPolarHBondContact CG1-OG 3.48Å; I110-S160 PolarHBondContact N-OG 3.03Å; I110-S160 VanDerWaalsContact N-OG 3.17Å |
| 111 | G | 96.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 4% | 0.041 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.2 | -32.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S75 L107 Y108 G115 | S75-G111 PolarHBondContact OG-O 3.38Å; L107-G111 PolarHBondContact O-N 2.97Å; Y108-G111 PolarHBondContact O-N 3.39Å; G111-G115 PolarHBondContact O-N 2.98Å |
| 112 | F | 95.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 17.5 Ų | 17.5 | 4% | 0.044 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.8 | -54.3 | 173.6 | 174 | -102.3 | 0 | 0 | 0 | 111.9 | F79 Y108 F109 I110 G115 I116 I198 W248 | F79-F112 HydrophobicContact CE2-CB 4.47Å; Y108-F112 WeakPolarHBondContact O-CB 3.14Å; Y108-F112 PolarHBondContact O-N 3.38Å; F109-F112 PolarHBondContact O-N 3.49Å; I110-F112 VanDerWaalsContact C-N 3.33Å; I110-F112 PolarHBondContact O-N 3.47Å; F112-G115 PolarHBondContact O-N 3.5Å; F112-I116 PolarHBondContact O-N 3.39Å; F112-I198 HydrophobicContact CE1-CG2 4.21Å; F112-I198 HydrophobicContact CZ-CG2 4.29Å; F112-W248 HydrophobicContact CD2-CD2 4.23Å; F112-W248 HydrophobicContact CD2-CE3 4.06Å; F112-W248 AromaticContact CD2-CH2 3.55Å; F112-W248 HydrophobicContact CD2-CH2 3.55Å; F112-W248 AromaticContact CD2-CZ2 3.74Å; F112-W248 HydrophobicContact CD2-CZ2 3.74Å; F112-W248 AromaticContact CD2-CZ3 3.72Å; F112-W248 HydrophobicContact CD2-CZ3 3.72Å; F112-W248 AromaticContact CE2-CD2 3.72Å; F112-W248 HydrophobicContact CE2-CD2 3.72Å; F112-W248 AromaticContact CE2-CE3 3.47Å; F112-W248 HydrophobicContact CE2-CE3 3.47Å; F112-W248 VanDerWaalsContact CE2-CE3 3.47Å; F112-W248 HydrophobicContact CE2-CG 4.45Å; F112-W248 AromaticContact CE2-CH2 3.86Å; F112-W248 HydrophobicContact CE2-CH2 3.86Å; F112-W248 HydrophobicContact CE2-CZ2 4.1Å; F112-W248 AromaticContact CE2-CZ3 3.55Å; F112-W248 HydrophobicContact CE2-CZ3 3.55Å; F112-W248 HydrophobicContact CZ-CE3 4.46Å |
| 113 | F | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -70 | -45.5 | -176 | -73.6 | -58.2 | 0 | 0 | 0 | 112.6 | F109 I110 G115 I116 F117 A156 A159 K197 I198 L201 | F109-F113 HydrophobicContact CB-CD2 4.22Å; F109-F113 HydrophobicContact CB-CE2 4.15Å; F109-F113 AromaticContact CD1-CE2 3.92Å; F109-F113 HydrophobicContact CD1-CE2 3.92Å; F109-F113 HydrophobicContact CG-CE2 4.37Å; F109-F113 WeakPolarHBondContact O-CB 3.29Å; F109-F113 WeakPolarHBondContact O-CD2 3.4Å; F109-F113 PolarHBondContact O-N 2.97Å; I110-F113 PolarHBondContact O-N 3.33Å; F113-G115 PolarHBondContact O-N 2.89Å; F113-I116 VanDerWaalsContact O-CG2 3.24Å; F113-I116 WeakPolarHBondContact O-CG2 3.41Å; F113-I116 PolarHBondContact O-N 3.19Å; F113-F117 HydrophobicContact CB-CD2 4.45Å; F113-F117 HydrophobicContact CB-CE2 3.99Å; F113-F117 HydrophobicContact CB-CZ 4.41Å; F113-F117 HydrophobicContact CD1-CZ 4.4Å; F113-F117 WeakPolarHBondContact O-CB 3.48Å; F113-F117 WeakPolarHBondContact O-CD2 3.5Å; F113-F117 WeakPolarHBondContact O-CG 3.48Å; F113-F117 PolarHBondContact O-N 3.1Å; F113-A156 HydrophobicContact CB-CB 4.12Å; F113-A159 HydrophobicContact CD1-CB 4.4Å; F113-A159 HydrophobicContact CD2-CB 3.8Å; F113-A159 HydrophobicContact CE2-CB 4.1Å; F113-A159 HydrophobicContact CG-CB 3.99Å; F113-K197 HydrophobicContact CZ-CD 4.47Å; F113-I198 HydrophobicContact CZ-CG1 4.26Å; F113-L201 HydrophobicContact CD1-CB 4.26Å; F113-L201 HydrophobicContact CD1-CD1 4.3Å; F113-L201 HydrophobicContact CE1-CB 4Å; F113-L201 HydrophobicContact CE1-CD1 3.99Å |
| 114 | S | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.7 | -33.5 | 178.2 | 66.4 | 0 | 0 | 0 | 0 | 111.1 | S75 I110 F117 F118 W153 | S75-S114 WeakPolarHBondContact CB-OG 3.3Å; S75-S114 PolarHBondContact OG-OG 3.21Å; I110-S114 WeakPolarHBondContact O-CB 3.39Å; I110-S114 PolarHBondContact O-N 3.45Å; I110-S114 PolarHBondContact O-OG 2.93Å; S114-F117 PolarHBondContact O-N 3.16Å; S114-F118 WeakPolarHBondContact O-CB 3.43Å; S114-F118 WeakPolarHBondContact O-CD2 3.36Å; S114-F118 PolarHBondContact O-N 2.87Å; S114-W153 WeakPolarHBondContact OG-CZ3 3.16Å |
| 115 | G | 95.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 12.9 Ų | 12.9 | 7% | 0.072 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -56.7 | -54.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L72 S75 G111 F112 F113 F117 F118 I119 | L72-G115 WeakPolarHBondContact CD1-O 3.38Å; S75-G115 VanDerWaalsContact OG-CA 3.26Å; S75-G115 WeakPolarHBondContact OG-CA 3.46Å; S75-G115 PolarHBondContact OG-N 3.29Å; G111-G115 PolarHBondContact O-N 2.98Å; F112-G115 PolarHBondContact O-N 3.5Å; F113-G115 PolarHBondContact O-N 2.89Å; G115-F117 PolarHBondContact O-N 2.7Å; G115-F118 PolarHBondContact O-N 3.46Å; G115-I119 WeakPolarHBondContact O-CG1 3.01Å; G115-I119 PolarHBondContact O-N 3.43Å; G115-I119 VanDerWaalsContact O-N 3.1Å |
| 116 | I | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.2 | -37.2 | 178.4 | -171.8 | 50.6 | 0 | 0 | 0 | 112.6 | F112 F113 F118 I119 I120 P206 Y244 | F112-I116 PolarHBondContact O-N 3.39Å; F113-I116 VanDerWaalsContact O-CG2 3.24Å; F113-I116 WeakPolarHBondContact O-CG2 3.41Å; F113-I116 PolarHBondContact O-N 3.19Å; I116-F118 PolarHBondContact O-N 2.9Å; I116-I119 HydrophobicContact CD1-CB 4.34Å; I116-I119 HydrophobicContact CD1-CG2 4.45Å; I116-I119 PolarHBondContact O-N 3.12Å; I116-I120 HydrophobicContact CG1-CD1 4.2Å; I116-I120 WeakPolarHBondContact O-CG1 3.36Å; I116-I120 PolarHBondContact O-N 2.83Å; I116-P206 HydrophobicContact CD1-CB 3.57Å; I116-P206 HydrophobicContact CD1-CG 3.81Å; I116-P206 HydrophobicContact CG1-CB 4.01Å; I116-P206 HydrophobicContact CG1-CG 3.86Å; I116-Y244 HydrophobicContact CB-CE2 4.07Å; I116-Y244 HydrophobicContact CD1-CD1 3.75Å; I116-Y244 HydrophobicContact CD1-CD2 4.14Å; I116-Y244 HydrophobicContact CD1-CE1 3.35Å; I116-Y244 HydrophobicContact CD1-CE2 3.77Å; I116-Y244 HydrophobicContact CD1-CG 4.13Å; I116-Y244 HydrophobicContact CG1-CE1 4.04Å; I116-Y244 HydrophobicContact CG1-CE2 4.22Å |
| 117 | F | 97.6 | Very high | 94.5 | Very high | 23 Ų | 23 | 16.6 Ų | 16.6 | 10% | 0.101 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.8 | -39.5 | 176.9 | -63.8 | -25 | 0 | 0 | 0 | 112.4 | F113 S114 G115 I120 L121 T152 V155 A156 L201 L205 | F113-F117 HydrophobicContact CB-CD2 4.45Å; F113-F117 HydrophobicContact CB-CE2 3.99Å; F113-F117 HydrophobicContact CB-CZ 4.41Å; F113-F117 HydrophobicContact CD1-CZ 4.4Å; F113-F117 WeakPolarHBondContact O-CB 3.48Å; F113-F117 WeakPolarHBondContact O-CD2 3.5Å; F113-F117 WeakPolarHBondContact O-CG 3.48Å; F113-F117 PolarHBondContact O-N 3.1Å; S114-F117 PolarHBondContact O-N 3.16Å; G115-F117 PolarHBondContact O-N 2.7Å; F117-I120 HydrophobicContact CD1-CD1 4.35Å; F117-I120 WeakPolarHBondContact O-CB 3.37Å; F117-I120 PolarHBondContact O-N 3.17Å; F117-L121 WeakPolarHBondContact O-CG 3.26Å; F117-L121 PolarHBondContact O-N 3.13Å; F117-T152 HydrophobicContact CB-CG2 3.5Å; F117-T152 VanDerWaalsContact CB-CG2 3.5Å; F117-T152 HydrophobicContact CD2-CG2 4.15Å; F117-T152 HydrophobicContact CG-CG2 4.3Å; F117-V155 HydrophobicContact CD2-CG1 4.48Å; F117-V155 HydrophobicContact CE2-CG1 3.81Å; F117-V155 HydrophobicContact CZ-CG1 4.33Å; F117-A156 HydrophobicContact CD2-CB 4.37Å; F117-A156 HydrophobicContact CE2-CB 4.46Å; F117-L201 HydrophobicContact CE1-CB 4.41Å; F117-L201 HydrophobicContact CE1-CD2 4.49Å; F117-L201 HydrophobicContact CZ-CD1 4.35Å; F117-L205 HydrophobicContact CE1-CD2 4.35Å |
| 118 | F | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.3 | -33.9 | 174.5 | -75.9 | -59.9 | 0 | 0 | 0 | 112.5 | Y68 N71 L72 S114 G115 I116 L121 L122 S149 T152 W153 | Y68-F118 HydrophobicContact CD1-CD1 4.09Å; Y68-F118 HydrophobicContact CD1-CE1 4.24Å; N71-F118 HydrophobicContact CB-CD1 3.83Å; N71-F118 HydrophobicContact CB-CD2 3.8Å; N71-F118 HydrophobicContact CB-CE1 3.5Å; N71-F118 VanDerWaalsContact CB-CE1 3.5Å; N71-F118 HydrophobicContact CB-CE2 3.47Å; N71-F118 VanDerWaalsContact CB-CE2 3.47Å; N71-F118 HydrophobicContact CB-CG 4Å; N71-F118 HydrophobicContact CB-CZ 3.33Å; L72-F118 HydrophobicContact CB-CB 4.16Å; L72-F118 HydrophobicContact CD1-CB 4.33Å; S114-F118 WeakPolarHBondContact O-CB 3.43Å; S114-F118 WeakPolarHBondContact O-CD2 3.36Å; S114-F118 PolarHBondContact O-N 2.87Å; G115-F118 PolarHBondContact O-N 3.46Å; I116-F118 PolarHBondContact O-N 2.9Å; F118-L121 HydrophobicContact CD1-CD1 4.04Å; F118-L121 HydrophobicContact CE1-CD1 4.21Å; F118-L121 PolarHBondContact O-N 2.83Å; F118-L122 WeakPolarHBondContact O-CB 3.42Å; F118-L122 VanDerWaalsContact O-CG 3.27Å; F118-L122 WeakPolarHBondContact O-CG 3.16Å; F118-L122 PolarHBondContact O-N 2.85Å; F118-S149 WeakPolarHBondContact CE1-OG 3.33Å; F118-T152 HydrophobicContact CE1-CG2 4.11Å; F118-T152 HydrophobicContact CE2-CG2 4.09Å; F118-T152 HydrophobicContact CZ-CG2 3.86Å; F118-W153 HydrophobicContact CE2-CD2 4.48Å; F118-W153 AromaticContact CE2-CE2 3.9Å; F118-W153 HydrophobicContact CE2-CZ2 4.11Å; F118-W153 AromaticContact CE2-NE1 3.87Å; F118-W153 AromaticContact CZ-NE1 3.72Å |
| 119 | I | 94.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.015 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.3 | -43.5 | 171 | -68.7 | 171 | 0 | 0 | 0 | 110.9 | L72 G115 I116 L122 T123 I240 M241 Y244 | L72-I119 HydrophobicContact CD1-CD1 4.43Å; L72-I119 HydrophobicContact CD1-CG1 4.03Å; L72-I119 HydrophobicContact CD2-CG1 4.03Å; G115-I119 WeakPolarHBondContact O-CG1 3.01Å; G115-I119 PolarHBondContact O-N 3.43Å; G115-I119 VanDerWaalsContact O-N 3.1Å; I116-I119 HydrophobicContact CD1-CB 4.34Å; I116-I119 HydrophobicContact CD1-CG2 4.45Å; I116-I119 PolarHBondContact O-N 3.12Å; I119-L122 WeakPolarHBondContact O-CB 3.36Å; I119-L122 PolarHBondContact O-N 3.29Å; I119-T123 PolarHBondContact O-N 3.04Å; I119-T123 PolarHBondContact O-OG1 3.47Å; I119-I240 HydrophobicContact CD1-CG2 4.18Å; I119-I240 HydrophobicContact CG1-CG2 4.11Å; I119-I240 HydrophobicContact CG2-CG2 4.45Å; I119-M241 HydrophobicContact CG2-CE 3.48Å; I119-M241 VanDerWaalsContact CG2-CE 3.48Å; I119-M241 HydrophobicContact CG2-SD 3.75Å; I119-Y244 HydrophobicContact CD1-CD2 3.92Å; I119-Y244 HydrophobicContact CD1-CG 4.25Å |
| 120 | I | 95.5 | Very high | 93 | Very high | 15 Ų | 15 | 16.8 Ų | 16.8 | 8% | 0.077 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 174.4 | -73.9 | 165.1 | 0 | 0 | 0 | 110.7 | I116 F117 L122 T123 I124 L205 P206 V209 | I116-I120 HydrophobicContact CG1-CD1 4.2Å; I116-I120 WeakPolarHBondContact O-CG1 3.36Å; I116-I120 PolarHBondContact O-N 2.83Å; F117-I120 HydrophobicContact CD1-CD1 4.35Å; F117-I120 WeakPolarHBondContact O-CB 3.37Å; F117-I120 PolarHBondContact O-N 3.17Å; I120-L122 VanDerWaalsContact C-N 3.32Å; I120-L122 PolarHBondContact O-N 3.32Å; I120-T123 WeakPolarHBondContact O-CB 3.26Å; I120-T123 PolarHBondContact O-N 3.29Å; I120-T123 VanDerWaalsContact O-N 3.12Å; I120-I124 HydrophobicContact CG2-CD1 3.78Å; I120-I124 HydrophobicContact CG2-CG1 4.48Å; I120-I124 WeakPolarHBondContact O-CG1 3.49Å; I120-I124 PolarHBondContact O-N 3.44Å; I120-L205 HydrophobicContact CD1-CD2 3.99Å; I120-L205 HydrophobicContact CD1-CG 3.99Å; I120-P206 HydrophobicContact CD1-CB 4Å; I120-P206 HydrophobicContact CG1-CB 3.99Å; I120-V209 HydrophobicContact CG2-CG1 4.22Å; I120-V209 HydrophobicContact CG2-CG2 4.05Å |
| 121 | L | 95.3 | Very high | 92.4 | Very high | 32 Ų | 32 | 17.5 Ų | 17.5 | 17% | 0.168 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.8 | -36.8 | 178.4 | -73.5 | 176.3 | 0 | 0 | 0 | 112.5 | Y68 F117 F118 I124 D125 T152 | Y68-L121 HydrophobicContact CD2-CB 3.99Å; Y68-L121 HydrophobicContact CE1-CB 4.45Å; Y68-L121 HydrophobicContact CE1-CD1 4.02Å; Y68-L121 HydrophobicContact CE2-CB 3.74Å; Y68-L121 HydrophobicContact CG-CB 4.42Å; F117-L121 WeakPolarHBondContact O-CG 3.26Å; F117-L121 PolarHBondContact O-N 3.13Å; F118-L121 HydrophobicContact CD1-CD1 4.04Å; F118-L121 HydrophobicContact CE1-CD1 4.21Å; F118-L121 PolarHBondContact O-N 2.83Å; L121-I124 PolarHBondContact O-N 2.95Å; L121-D125 VanDerWaalsContact O-CB 3.24Å; L121-D125 WeakPolarHBondContact O-CB 3.41Å; L121-D125 PolarHBondContact O-N 2.79Å; L121-T152 HydrophobicContact CD1-CG2 4.29Å; L121-T152 VanDerWaalsContact CD1-OG1 3.31Å; L121-T152 WeakPolarHBondContact CD1-OG1 3.44Å |
| 122 | L | 91.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 172.1 | -77.5 | 167.6 | 0 | 0 | 0 | 111.6 | T65 Y68 L69 L72 F118 I119 I120 D125 R126 I237 | T65-L122 HydrophobicContact CG2-CD2 3.68Å; Y68-L122 HydrophobicContact CD2-CD2 4.32Å; L69-L122 HydrophobicContact CD2-CD1 3.9Å; L69-L122 HydrophobicContact CD2-CD2 4.27Å; L69-L122 HydrophobicContact CG-CD2 4.13Å; L72-L122 HydrophobicContact CD2-CD1 3.95Å; F118-L122 WeakPolarHBondContact O-CB 3.42Å; F118-L122 VanDerWaalsContact O-CG 3.27Å; F118-L122 WeakPolarHBondContact O-CG 3.16Å; F118-L122 PolarHBondContact O-N 2.85Å; I119-L122 WeakPolarHBondContact O-CB 3.36Å; I119-L122 PolarHBondContact O-N 3.29Å; I120-L122 VanDerWaalsContact C-N 3.32Å; I120-L122 PolarHBondContact O-N 3.32Å; L122-D125 PolarHBondContact O-N 3Å; L122-R126 WeakPolarHBondContact O-CG 3.28Å; L122-R126 PolarHBondContact O-N 2.97Å; L122-I237 HydrophobicContact CB-CD1 4.43Å |
| 123 | T | 91.4 | Very high | 91 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.8 | -44.3 | 176.2 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | I119 I120 R126 Y127 V209 C213 Y214 M241 | I119-T123 PolarHBondContact O-N 3.04Å; I119-T123 PolarHBondContact O-OG1 3.47Å; I120-T123 WeakPolarHBondContact O-CB 3.26Å; I120-T123 PolarHBondContact O-N 3.29Å; I120-T123 VanDerWaalsContact O-N 3.12Å; T123-R126 PolarHBondContact O-N 3.43Å; T123-Y127 WeakPolarHBondContact O-CB 3.32Å; T123-Y127 PolarHBondContact O-N 3.47Å; T123-V209 HydrophobicContact CG2-CG1 4.04Å; T123-C213 HydrophobicContact CG2-CB 3.67Å; T123-Y214 HydrophobicContact CG2-CE2 3.94Å; T123-M241 HydrophobicContact CG2-CE 4.44Å; T123-M241 WeakPolarHBondContact OG1-CE 3.41Å |
| 124 | I | 92.3 | Very high | 90 | Very high | 61 Ų | 61 | 29.7 Ų | 29.7 | 31% | 0.313 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.2 | -44.2 | 176.9 | -65.1 | 168.5 | 0 | 0 | 0 | 110.9 | I120 L121 R126 Y127 L128 V209 | I120-I124 HydrophobicContact CG2-CD1 3.78Å; I120-I124 HydrophobicContact CG2-CG1 4.48Å; I120-I124 WeakPolarHBondContact O-CG1 3.49Å; I120-I124 PolarHBondContact O-N 3.44Å; L121-I124 PolarHBondContact O-N 2.95Å; I124-R126 VanDerWaalsContact C-N 3.29Å; I124-R126 PolarHBondContact O-N 3.09Å; I124-Y127 WeakPolarHBondContact O-CB 3.46Å; I124-Y127 PolarHBondContact O-N 3.24Å; I124-Y127 VanDerWaalsContact O-N 3.16Å; I124-L128 HydrophobicContact CG2-CD1 4.07Å; I124-L128 HydrophobicContact CG2-CG 4.31Å; I124-L128 WeakPolarHBondContact O-CG 3.16Å; I124-L128 PolarHBondContact O-N 2.96Å; I124-V209 HydrophobicContact CG1-CG1 4.15Å |
| 125 | D | 90.1 | Very high | 89 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.6 | -42.9 | 175.7 | 168.8 | 74.2 | 0 | 0 | 0 | 111.7 | T65 Y68 L121 L122 A129 R140 | T65-D125 PolarHBondContact OG1-OD2 3.05Å; Y68-D125 HydrophobicContact CD2-CB 4.35Å; Y68-D125 HydrophobicContact CE2-CB 4.16Å; L121-D125 VanDerWaalsContact O-CB 3.24Å; L121-D125 WeakPolarHBondContact O-CB 3.41Å; L121-D125 PolarHBondContact O-N 2.79Å; L122-D125 PolarHBondContact O-N 3Å; D125-A129 WeakPolarHBondContact O-CB 3.47Å; D125-A129 PolarHBondContact O-N 3.1Å; D125-A129 VanDerWaalsContact O-N 3.12Å; D125-R140 PolarHBondContact O-NE 2.99Å; D125-R140 IonicContact OD1-CZ 2.66Å; D125-R140 IonicContact OD1-NE 3.77Å; D125-R140 PolarHBondContact OD1-NE 3.12Å; D125-R140 IonicContact OD1-NH2 3.45Å; D125-R140 PolarHBondContact OD1-NH2 2.92Å; D125-R140 IonicContact OD2-NH2 2.53Å; D125-R140 PolarHBondContact OD2-NH2 3.21Å |
| 126 | R | 87.6 | Confident | 88 | Confident | 42 Ų | 42 | 35.6 Ų | 35.6 | 16% | 0.158 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.8 | -43.2 | 174.8 | -72.1 | -54.2 | 89.9 | -169.3 | 9.3 | 112.7 | T65 L122 T123 I124 A129 V130 I237 | T65-R126 PolarHBondContact OG1-NH2 3.4Å; L122-R126 WeakPolarHBondContact O-CG 3.28Å; L122-R126 PolarHBondContact O-N 2.97Å; T123-R126 PolarHBondContact O-N 3.43Å; I124-R126 VanDerWaalsContact C-N 3.29Å; I124-R126 PolarHBondContact O-N 3.09Å; R126-A129 PolarHBondContact O-N 2.93Å; R126-V130 WeakPolarHBondContact O-CG2 3.28Å; R126-V130 PolarHBondContact O-N 3.46Å; R126-I237 HydrophobicContact CG-CB 4.11Å; R126-I237 HydrophobicContact CG-CG1 3.45Å; R126-I237 VanDerWaalsContact CG-CG1 3.45Å; R126-I237 HydrophobicContact CG-CG2 4.37Å |
| 127 | Y | 88.8 | Confident | 87 | Confident | 47 Ų | 47 | 42.8 Ų | 42.8 | 18% | 0.184 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.9 | -51.6 | 178 | 173.7 | -99.7 | 0 | 0 | 0 | 111 | T123 I124 A129 V130 V131 H132 C213 I217 | T123-Y127 WeakPolarHBondContact O-CB 3.32Å; T123-Y127 PolarHBondContact O-N 3.47Å; I124-Y127 WeakPolarHBondContact O-CB 3.46Å; I124-Y127 PolarHBondContact O-N 3.24Å; I124-Y127 VanDerWaalsContact O-N 3.16Å; Y127-A129 VanDerWaalsContact C-N 3.32Å; Y127-A129 PolarHBondContact O-N 3.45Å; Y127-V130 PolarHBondContact O-N 3.13Å; Y127-V130 VanDerWaalsContact O-N 3.15Å; Y127-V131 HydrophobicContact CD2-CB 4.36Å; Y127-V131 HydrophobicContact CD2-CG2 3.73Å; Y127-V131 HydrophobicContact CE2-CB 4.07Å; Y127-V131 HydrophobicContact CE2-CG1 4.27Å; Y127-V131 HydrophobicContact CE2-CG2 3.6Å; Y127-V131 HydrophobicContact CG-CG2 4.48Å; Y127-V131 WeakPolarHBondContact O-CB 3.3Å; Y127-V131 PolarHBondContact O-N 3.43Å; Y127-H132 AromaticContact CE1-CD2 3.7Å; Y127-H132 AromaticContact CE1-NE2 3.82Å; Y127-C213 VanDerWaalsContact CD2-CA 3.48Å; Y127-C213 HydrophobicContact CD2-CB 3.86Å; Y127-C213 VanDerWaalsContact CD2-O 3.3Å; Y127-C213 WeakPolarHBondContact CD2-O 3.36Å; Y127-C213 HydrophobicContact CG-CB 4.11Å; Y127-I217 HydrophobicContact CD2-CG1 4.13Å |
| 128 | L | 87.8 | Confident | 85.9 | Confident | 40 Ų | 40 | 50.1 Ų | 50.1 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 177.9 | -68 | 175.9 | 0 | 0 | 0 | 111.5 | I124 V130 H132 F135 | I124-L128 HydrophobicContact CG2-CD1 4.07Å; I124-L128 HydrophobicContact CG2-CG 4.31Å; I124-L128 WeakPolarHBondContact O-CG 3.16Å; I124-L128 PolarHBondContact O-N 2.96Å; L128-V130 VanDerWaalsContact C-N 3.27Å; L128-V130 PolarHBondContact O-N 3.33Å; L128-H132 HydrophobicContact CD2-CB 4.43Å; L128-H132 CarbonylContact O-C 3.56Å; L128-H132 WeakPolarHBondContact O-CA 3.24Å; L128-H132 PolarHBondContact O-N 3.44Å; L128-F135 HydrophobicContact CD2-CD1 4.32Å; L128-F135 HydrophobicContact CD2-CE1 4.48Å |
| 129 | A | 85.4 | Confident | 84.9 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 20% | 0.198 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -29.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | D125 R126 Y127 | D125-A129 WeakPolarHBondContact O-CB 3.47Å; D125-A129 PolarHBondContact O-N 3.1Å; D125-A129 VanDerWaalsContact O-N 3.12Å; R126-A129 PolarHBondContact O-N 2.93Å; Y127-A129 VanDerWaalsContact C-N 3.32Å; Y127-A129 PolarHBondContact O-N 3.45Å |
| 130 | V | 82.6 | Confident | 84.4 | Confident | 16 Ų | 16 | 54 Ų | 54 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -94.9 | -46.4 | -176.4 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | R126 Y127 L128 I217 T220 R230 V234 | R126-V130 WeakPolarHBondContact O-CG2 3.28Å; R126-V130 PolarHBondContact O-N 3.46Å; Y127-V130 PolarHBondContact O-N 3.13Å; Y127-V130 VanDerWaalsContact O-N 3.15Å; L128-V130 VanDerWaalsContact C-N 3.27Å; L128-V130 PolarHBondContact O-N 3.33Å; V130-I217 HydrophobicContact CB-CG1 4.4Å; V130-I217 HydrophobicContact CG1-CG1 4.4Å; V130-I217 HydrophobicContact CG1-CG2 4.3Å; V130-T220 HydrophobicContact CG1-CG2 4.25Å; V130-R230 HydrophobicContact CG2-CG 3.95Å; V130-V234 HydrophobicContact CG2-CG2 4.1Å |
| 131 | V | 85.1 | Confident | 84 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -90.4 | -35.4 | -171.9 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | Y127 I217 | Y127-V131 HydrophobicContact CD2-CB 4.36Å; Y127-V131 HydrophobicContact CD2-CG2 3.73Å; Y127-V131 HydrophobicContact CE2-CB 4.07Å; Y127-V131 HydrophobicContact CE2-CG1 4.27Å; Y127-V131 HydrophobicContact CE2-CG2 3.6Å; Y127-V131 HydrophobicContact CG-CG2 4.48Å; Y127-V131 WeakPolarHBondContact O-CB 3.3Å; Y127-V131 PolarHBondContact O-N 3.43Å; V131-I217 HydrophobicContact CG2-CG1 4.26Å |
| 132 | H | 83.8 | Confident | 83.6 | Confident | 86 Ų | 86 | 57 Ų | 57 | 40% | 0.398 | 30% | 0.3 | S | S | . | . | trans | -122.1 | 51.2 | -175.3 | -61.2 | -70.1 | 0 | 0 | 0 | 112 | Y127 L128 V134 F135 A136 | Y127-H132 AromaticContact CE1-CD2 3.7Å; Y127-H132 AromaticContact CE1-NE2 3.82Å; L128-H132 HydrophobicContact CD2-CB 4.43Å; L128-H132 CarbonylContact O-C 3.56Å; L128-H132 WeakPolarHBondContact O-CA 3.24Å; L128-H132 PolarHBondContact O-N 3.44Å; H132-V134 VanDerWaalsContact C-N 3.28Å; H132-V134 PolarHBondContact O-N 3.39Å; H132-V134 VanDerWaalsContact O-N 3.14Å; H132-F135 HydrophobicContact CB-CB 4.29Å; H132-F135 PolarHBondContact O-N 2.86Å; H132-F135 VanDerWaalsContact O-N 3.11Å; H132-A136 WeakPolarHBondContact O-CB 3.37Å; H132-A136 PolarHBondContact O-N 3.45Å | ||
| 133 | A | 78.4 | Confident | 83.5 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 47% | 0.471 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -54.3 | -36 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A136 L137 | A133-A136 WeakPolarHBondContact O-CB 3.5Å; A133-L137 PolarHBondContact O-N 3.1Å |
| 134 | V | 75.7 | Confident | 83.4 | Confident | 126 Ų | 126 | 67.4 Ų | 67.4 | 76% | 0.764 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.7 | -45.1 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | H132 A136 L137 | H132-V134 VanDerWaalsContact C-N 3.28Å; H132-V134 PolarHBondContact O-N 3.39Å; H132-V134 VanDerWaalsContact O-N 3.14Å; V134-A136 VanDerWaalsContact C-N 3.32Å; V134-A136 PolarHBondContact O-N 3.28Å; V134-L137 PolarHBondContact O-N 2.88Å |
| 135 | F | 76.8 | Confident | 83.4 | Confident | 126 Ų | 126 | 64.5 Ų | 64.5 | 55% | 0.553 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.6 | -38.2 | 175.4 | 178.1 | -100.4 | 0 | 0 | 0 | 111.6 | L128 H132 L137 K138 A139 | L128-F135 HydrophobicContact CD2-CD1 4.32Å; L128-F135 HydrophobicContact CD2-CE1 4.48Å; H132-F135 HydrophobicContact CB-CB 4.29Å; H132-F135 PolarHBondContact O-N 2.86Å; H132-F135 VanDerWaalsContact O-N 3.11Å; F135-L137 PolarHBondContact O-N 3.26Å; F135-K138 PolarHBondContact O-N 3.2Å; F135-K138 VanDerWaalsContact O-N 3.09Å; F135-A139 HydrophobicContact CD1-CB 4.09Å; F135-A139 HydrophobicContact CE1-CB 3.63Å; F135-A139 HydrophobicContact CZ-CB 3.92Å; F135-A139 PolarHBondContact O-N 3.1Å |
| 136 | A | 75 | Confident | 83.6 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 5% | 0.05 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.8 | -31.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H132 A133 V134 K138 R140 | H132-A136 WeakPolarHBondContact O-CB 3.37Å; H132-A136 PolarHBondContact O-N 3.45Å; A133-A136 WeakPolarHBondContact O-CB 3.5Å; V134-A136 VanDerWaalsContact C-N 3.32Å; V134-A136 PolarHBondContact O-N 3.28Å; A136-K138 VanDerWaalsContact C-N 3.29Å; A136-K138 PolarHBondContact O-N 2.72Å; A136-R140 HydrophobicContact CB-CG 4.26Å; A136-R140 VanDerWaalsContact O-CB 3.23Å; A136-R140 WeakPolarHBondContact O-CB 3.44Å; A136-R140 VanDerWaalsContact O-CG 3.29Å; A136-R140 WeakPolarHBondContact O-CG 3.26Å; A136-R140 PolarHBondContact O-N 2.81Å; A136-R140 VanDerWaalsContact O-N 3.09Å |
| 137 | L | 75.1 | Confident | 84 | Confident | 150 Ų | 150 | 69.4 Ų | 69.4 | 79% | 0.785 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63 | -34.8 | 176 | -75 | 161.9 | 0 | 0 | 0 | 112.6 | A133 V134 F135 | A133-L137 PolarHBondContact O-N 3.1Å; V134-L137 PolarHBondContact O-N 2.88Å; F135-L137 PolarHBondContact O-N 3.26Å |
| 138 | K | 75.3 | Confident | 84.3 | Confident | 177 Ų | 177 | 69 Ų | 69 | 77% | 0.77 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -88.1 | -35.8 | -179.6 | -169.6 | 175.8 | -179.9 | 179 | 0 | 112.7 | F135 A136 | F135-K138 PolarHBondContact O-N 3.2Å; F135-K138 VanDerWaalsContact O-N 3.09Å; A136-K138 VanDerWaalsContact C-N 3.29Å; A136-K138 PolarHBondContact O-N 2.72Å |
| 139 | A | 75.7 | Confident | 84.8 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -89.4 | -24.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F135 T141 | F135-A139 HydrophobicContact CD1-CB 4.09Å; F135-A139 HydrophobicContact CE1-CB 3.63Å; F135-A139 HydrophobicContact CZ-CB 3.92Å; F135-A139 PolarHBondContact O-N 3.1Å; A139-T141 VanDerWaalsContact C-N 3.28Å; A139-T141 PolarHBondContact O-N 2.86Å; A139-T141 VanDerWaalsContact O-N 3.15Å |
| 140 | R | 83.6 | Confident | 85.4 | Confident | 62 Ų | 62 | 70.2 Ų | 70.2 | 23% | 0.234 | 38% | 0.383 | C | S | . | . | trans | -92.3 | 46.6 | -172.5 | -59.9 | 174.1 | 69.1 | -119 | -22.5 | 113.1 | M64 T65 D125 A136 | M64-R140 HydrophobicContact SD-CB 4.13Å; M64-R140 HydrophobicContact SD-CG 4.21Å; T65-R140 PolarHBondContact OG1-NH2 3.42Å; D125-R140 PolarHBondContact O-NE 2.99Å; D125-R140 IonicContact OD1-CZ 2.66Å; D125-R140 IonicContact OD1-NE 3.77Å; D125-R140 PolarHBondContact OD1-NE 3.12Å; D125-R140 IonicContact OD1-NH2 3.45Å; D125-R140 PolarHBondContact OD1-NH2 2.92Å; D125-R140 IonicContact OD2-NH2 2.53Å; D125-R140 PolarHBondContact OD2-NH2 3.21Å; A136-R140 HydrophobicContact CB-CG 4.26Å; A136-R140 VanDerWaalsContact O-CB 3.23Å; A136-R140 WeakPolarHBondContact O-CB 3.44Å; A136-R140 VanDerWaalsContact O-CG 3.29Å; A136-R140 WeakPolarHBondContact O-CG 3.26Å; A136-R140 PolarHBondContact O-N 2.81Å; A136-R140 VanDerWaalsContact O-N 3.09Å | ||
| 141 | T | 85.5 | Confident | 86.1 | Confident | 51 Ų | 51 | 74 Ų | 74 | 31% | 0.313 | 40% | 0.402 | S | S | . | . | trans | -82.7 | 157.4 | 176 | 73 | 0 | 0 | 0 | 0 | 111.1 | A139 T143 F144 G145 | A139-T141 VanDerWaalsContact C-N 3.28Å; A139-T141 PolarHBondContact O-N 2.86Å; A139-T141 VanDerWaalsContact O-N 3.15Å; T141-T143 VanDerWaalsContact C-N 3.28Å; T141-T143 PolarHBondContact O-N 2.83Å; T141-F144 HydrophobicContact CG2-CD2 4.35Å; T141-F144 PolarHBondContact O-N 3.37Å; T141-F144 WeakPolarHBondContact OG1-CD2 3.44Å; T141-F144 PolarHBondContact OG1-N 3.29Å; T141-G145 PolarHBondContact O-N 3.38Å; T141-G145 VanDerWaalsContact O-N 3.11Å | ||
| 142 | V | 87.3 | Confident | 86.7 | Confident | 60 Ų | 60 | 72.9 Ų | 72.9 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 175.3 | 166.8 | 0 | 0 | 0 | 0 | 110.7 | I67 F144 G145 V146 | I67-V142 HydrophobicContact CD1-CB 4.17Å; I67-V142 HydrophobicContact CD1-CG1 3.77Å; I67-V142 HydrophobicContact CD1-CG2 4.41Å; I67-V142 WeakPolarHBondContact CD1-O 3.34Å; V142-F144 PolarHBondContact O-N 3.12Å; V142-G145 WeakPolarHBondContact O-CA 3.49Å; V142-G145 PolarHBondContact O-N 2.94Å; V142-G145 VanDerWaalsContact O-N 3.14Å; V142-V146 WeakPolarHBondContact O-CG2 3.23Å; V142-V146 PolarHBondContact O-N 3.49Å |
| 143 | T | 89.3 | Confident | 87.4 | Confident | 103 Ų | 103 | 71 Ų | 71 | 63% | 0.632 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.1 | -48.2 | 178.9 | -46.9 | 0 | 0 | 0 | 0 | 112 | T141 G145 V146 V147 | T141-T143 VanDerWaalsContact C-N 3.28Å; T141-T143 PolarHBondContact O-N 2.83Å; T143-G145 VanDerWaalsContact C-N 3.3Å; T143-G145 PolarHBondContact O-N 3.38Å; T143-V146 PolarHBondContact O-N 2.92Å; T143-V147 WeakPolarHBondContact O-CG2 3.43Å; T143-V147 PolarHBondContact O-N 2.86Å |
| 144 | F | 90.5 | Very high | 88.3 | Confident | 116 Ų | 116 | 71.8 Ų | 71.8 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.9 | -78.6 | -60.3 | 0 | 0 | 0 | 111.5 | T141 V142 V146 V147 T148 | T141-F144 HydrophobicContact CG2-CD2 4.35Å; T141-F144 PolarHBondContact O-N 3.37Å; T141-F144 WeakPolarHBondContact OG1-CD2 3.44Å; T141-F144 PolarHBondContact OG1-N 3.29Å; V142-F144 PolarHBondContact O-N 3.12Å; F144-V146 VanDerWaalsContact C-N 3.33Å; F144-V146 PolarHBondContact O-N 3.19Å; F144-V147 PolarHBondContact O-N 3.13Å; F144-T148 WeakPolarHBondContact O-CG2 3.33Å; F144-T148 PolarHBondContact O-N 3.37Å; F144-T148 PolarHBondContact O-OG1 2.9Å |
| 145 | G | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.7 | -38.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T141 V142 T143 T148 S149 | T141-G145 PolarHBondContact O-N 3.38Å; T141-G145 VanDerWaalsContact O-N 3.11Å; V142-G145 WeakPolarHBondContact O-CA 3.49Å; V142-G145 PolarHBondContact O-N 2.94Å; V142-G145 VanDerWaalsContact O-N 3.14Å; T143-G145 VanDerWaalsContact C-N 3.3Å; T143-G145 PolarHBondContact O-N 3.38Å; G145-T148 WeakPolarHBondContact CA-OG1 3.25Å; G145-T148 PolarHBondContact O-OG1 3.14Å; G145-T148 VanDerWaalsContact O-OG1 3.09Å; G145-S149 WeakPolarHBondContact O-CB 2.91Å; G145-S149 PolarHBondContact O-N 3.34Å; G145-S149 VanDerWaalsContact O-N 3.1Å; G145-S149 PolarHBondContact O-OG 2.78Å; G145-S149 VanDerWaalsContact O-OG 3.08Å |
| 146 | V | 94.3 | Very high | 90.4 | Very high | 74 Ų | 74 | 63.1 Ų | 63.1 | 45% | 0.448 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.3 | -47.5 | 175.2 | 175 | 0 | 0 | 0 | 0 | 110.8 | I67 V142 T143 F144 T148 S149 V150 | I67-V146 HydrophobicContact CD1-CG2 4.1Å; V142-V146 WeakPolarHBondContact O-CG2 3.23Å; V142-V146 PolarHBondContact O-N 3.49Å; T143-V146 PolarHBondContact O-N 2.92Å; F144-V146 VanDerWaalsContact C-N 3.33Å; F144-V146 PolarHBondContact O-N 3.19Å; V146-T148 PolarHBondContact O-N 2.71Å; V146-S149 WeakPolarHBondContact O-CB 3.46Å; V146-S149 PolarHBondContact O-N 3.4Å; V146-V150 WeakPolarHBondContact O-CG2 3.28Å; V146-V150 PolarHBondContact O-N 3.29Å |
| 147 | V | 95.7 | Very high | 91.5 | Very high | 75 Ų | 75 | 65.7 Ų | 65.7 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | -179.2 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | T143 F144 S149 V150 I151 | T143-V147 WeakPolarHBondContact O-CG2 3.43Å; T143-V147 PolarHBondContact O-N 2.86Å; F144-V147 PolarHBondContact O-N 3.13Å; V147-S149 VanDerWaalsContact C-N 3.33Å; V147-S149 PolarHBondContact O-N 2.96Å; V147-V150 PolarHBondContact O-N 3.03Å; V147-I151 HydrophobicContact CG1-CD1 3.96Å; V147-I151 WeakPolarHBondContact O-CG1 3.39Å; V147-I151 PolarHBondContact O-N 3.44Å |
| 148 | T | 96 | Very high | 92.5 | Very high | 39 Ų | 39 | 65 Ų | 65 | 24% | 0.239 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 177.4 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | Y68 F144 G145 V146 I151 T152 | Y68-T148 WeakPolarHBondContact CE1-OG1 3.33Å; Y68-T148 WeakPolarHBondContact OH-CB 3.27Å; Y68-T148 PolarHBondContact OH-OG1 2.91Å; F144-T148 WeakPolarHBondContact O-CG2 3.33Å; F144-T148 PolarHBondContact O-N 3.37Å; F144-T148 PolarHBondContact O-OG1 2.9Å; G145-T148 WeakPolarHBondContact CA-OG1 3.25Å; G145-T148 PolarHBondContact O-OG1 3.14Å; G145-T148 VanDerWaalsContact O-OG1 3.09Å; V146-T148 PolarHBondContact O-N 2.71Å; T148-I151 PolarHBondContact O-N 3.4Å; T148-T152 WeakPolarHBondContact O-CB 3.37Å; T148-T152 PolarHBondContact O-N 3.43Å; T148-T152 PolarHBondContact O-OG1 3.17Å |
| 149 | S | 97.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 173.1 | -75.1 | 0 | 0 | 0 | 0 | 112.4 | N71 F118 G145 V146 V147 I151 T152 W153 | N71-S149 PolarHBondContact ND2-OG 3.4Å; F118-S149 WeakPolarHBondContact CE1-OG 3.33Å; G145-S149 WeakPolarHBondContact O-CB 2.91Å; G145-S149 PolarHBondContact O-N 3.34Å; G145-S149 VanDerWaalsContact O-N 3.1Å; G145-S149 PolarHBondContact O-OG 2.78Å; G145-S149 VanDerWaalsContact O-OG 3.08Å; V146-S149 WeakPolarHBondContact O-CB 3.46Å; V146-S149 PolarHBondContact O-N 3.4Å; V147-S149 VanDerWaalsContact C-N 3.33Å; V147-S149 PolarHBondContact O-N 2.96Å; S149-I151 PolarHBondContact O-N 2.94Å; S149-T152 WeakPolarHBondContact O-CB 3.27Å; S149-T152 PolarHBondContact O-N 3.4Å; S149-T152 VanDerWaalsContact O-N 3.17Å; S149-W153 PolarHBondContact O-N 2.66Å |
| 150 | V | 97.9 | Very high | 94.4 | Very high | 85 Ų | 85 | 56.2 Ų | 56.2 | 52% | 0.515 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 178.1 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | V146 V147 T152 W153 V154 | V146-V150 WeakPolarHBondContact O-CG2 3.28Å; V146-V150 PolarHBondContact O-N 3.29Å; V147-V150 PolarHBondContact O-N 3.03Å; V150-T152 VanDerWaalsContact C-N 3.28Å; V150-T152 PolarHBondContact O-N 3.34Å; V150-W153 PolarHBondContact O-N 3.06Å; V150-V154 WeakPolarHBondContact O-CG2 3.35Å; V150-V154 PolarHBondContact O-N 3.47Å; V150-V154 VanDerWaalsContact O-N 3.08Å |
| 151 | I | 98.1 | Very high | 94.9 | Very high | 97 Ų | 97 | 56.3 Ų | 56.3 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 175.8 | -66.1 | 166.6 | 0 | 0 | 0 | 110.4 | V147 T148 S149 W153 V154 V155 | V147-I151 HydrophobicContact CG1-CD1 3.96Å; V147-I151 WeakPolarHBondContact O-CG1 3.39Å; V147-I151 PolarHBondContact O-N 3.44Å; T148-I151 PolarHBondContact O-N 3.4Å; S149-I151 PolarHBondContact O-N 2.94Å; I151-W153 VanDerWaalsContact C-N 3.35Å; I151-W153 PolarHBondContact O-N 3.42Å; I151-V154 PolarHBondContact O-N 3.28Å; I151-V155 HydrophobicContact CG2-CG2 4.29Å; I151-V155 WeakPolarHBondContact O-CG2 3.34Å; I151-V155 PolarHBondContact O-N 3.14Å |
| 152 | T | 98.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 55 Ų | 55 | 9% | 0.092 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | -179.7 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | F117 F118 L121 T148 S149 V150 V155 A156 | F117-T152 HydrophobicContact CB-CG2 3.5Å; F117-T152 VanDerWaalsContact CB-CG2 3.5Å; F117-T152 HydrophobicContact CD2-CG2 4.15Å; F117-T152 HydrophobicContact CG-CG2 4.3Å; F118-T152 HydrophobicContact CE1-CG2 4.11Å; F118-T152 HydrophobicContact CE2-CG2 4.09Å; F118-T152 HydrophobicContact CZ-CG2 3.86Å; L121-T152 HydrophobicContact CD1-CG2 4.29Å; L121-T152 VanDerWaalsContact CD1-OG1 3.31Å; L121-T152 WeakPolarHBondContact CD1-OG1 3.44Å; T148-T152 WeakPolarHBondContact O-CB 3.37Å; T148-T152 PolarHBondContact O-N 3.43Å; T148-T152 PolarHBondContact O-OG1 3.17Å; S149-T152 WeakPolarHBondContact O-CB 3.27Å; S149-T152 PolarHBondContact O-N 3.4Å; S149-T152 VanDerWaalsContact O-N 3.17Å; V150-T152 VanDerWaalsContact C-N 3.28Å; V150-T152 PolarHBondContact O-N 3.34Å; T152-V155 PolarHBondContact O-N 3.44Å; T152-A156 WeakPolarHBondContact O-CB 3.37Å; T152-A156 PolarHBondContact O-N 3Å |
| 153 | W | 98.3 | Very high | 95.3 | Very high | 47 Ų | 47 | 52.2 Ų | 52.2 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 174.4 | -80.6 | 112.4 | 0 | 0 | 0 | 112.2 | N71 I74 F78 I110 S114 F118 S149 V150 I151 V155 A156 V157 | N71-W153 PolarHBondContact OD1-NE1 3.24Å; I74-W153 HydrophobicContact CB-CZ2 4.29Å; I74-W153 HydrophobicContact CG2-CH2 4.01Å; I74-W153 HydrophobicContact CG2-CZ2 3.8Å; F78-W153 AromaticContact CD2-CH2 3.54Å; F78-W153 HydrophobicContact CD2-CH2 3.54Å; F78-W153 AromaticContact CD2-CZ3 3.54Å; F78-W153 HydrophobicContact CD2-CZ3 3.54Å; F78-W153 HydrophobicContact CE2-CE3 4.33Å; F78-W153 AromaticContact CE2-CH2 3.45Å; F78-W153 HydrophobicContact CE2-CH2 3.45Å; F78-W153 VanDerWaalsContact CE2-CH2 3.45Å; F78-W153 HydrophobicContact CE2-CZ2 4.38Å; F78-W153 AromaticContact CE2-CZ3 3.42Å; F78-W153 HydrophobicContact CE2-CZ3 3.42Å; F78-W153 VanDerWaalsContact CE2-CZ3 3.42Å; I110-W153 HydrophobicContact CG2-CE3 4.08Å; I110-W153 HydrophobicContact CG2-CZ3 3.61Å; S114-W153 WeakPolarHBondContact OG-CZ3 3.16Å; F118-W153 HydrophobicContact CE2-CD2 4.48Å; F118-W153 AromaticContact CE2-CE2 3.9Å; F118-W153 HydrophobicContact CE2-CZ2 4.11Å; F118-W153 AromaticContact CE2-NE1 3.87Å; F118-W153 AromaticContact CZ-NE1 3.72Å; S149-W153 PolarHBondContact O-N 2.66Å; V150-W153 PolarHBondContact O-N 3.06Å; I151-W153 VanDerWaalsContact C-N 3.35Å; I151-W153 PolarHBondContact O-N 3.42Å; W153-V155 VanDerWaalsContact C-N 3.35Å; W153-V155 PolarHBondContact O-N 2.94Å; W153-A156 PolarHBondContact O-N 3.44Å; W153-V157 WeakPolarHBondContact O-CG2 3.21Å; W153-V157 PolarHBondContact O-N 3.17Å |
| 154 | V | 98.2 | Very high | 95.5 | Very high | 72 Ų | 72 | 49.2 Ų | 49.2 | 44% | 0.436 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | V150 I151 A156 V157 F158 | V150-V154 WeakPolarHBondContact O-CG2 3.35Å; V150-V154 PolarHBondContact O-N 3.47Å; V150-V154 VanDerWaalsContact O-N 3.08Å; I151-V154 PolarHBondContact O-N 3.28Å; V154-A156 VanDerWaalsContact C-N 3.34Å; V154-A156 PolarHBondContact O-N 3.43Å; V154-V157 PolarHBondContact O-N 2.93Å; V154-F158 HydrophobicContact CG1-CD2 3.65Å; V154-F158 HydrophobicContact CG1-CE2 3.52Å; V154-F158 WeakPolarHBondContact O-CD2 3.44Å; V154-F158 PolarHBondContact O-N 3.45Å |
| 155 | V | 98 | Very high | 95.6 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 42% | 0.424 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 177.3 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | F117 I151 T152 W153 F158 A159 | F117-V155 HydrophobicContact CD2-CG1 4.48Å; F117-V155 HydrophobicContact CE2-CG1 3.81Å; F117-V155 HydrophobicContact CZ-CG1 4.33Å; I151-V155 HydrophobicContact CG2-CG2 4.29Å; I151-V155 WeakPolarHBondContact O-CG2 3.34Å; I151-V155 PolarHBondContact O-N 3.14Å; T152-V155 PolarHBondContact O-N 3.44Å; W153-V155 VanDerWaalsContact C-N 3.35Å; W153-V155 PolarHBondContact O-N 2.94Å; V155-F158 PolarHBondContact O-N 3.39Å; V155-A159 WeakPolarHBondContact O-CB 3.49Å; V155-A159 PolarHBondContact O-N 3.4Å |
| 156 | A | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F113 F117 T152 W153 V154 A159 S160 | F113-A156 HydrophobicContact CB-CB 4.12Å; F117-A156 HydrophobicContact CD2-CB 4.37Å; F117-A156 HydrophobicContact CE2-CB 4.46Å; T152-A156 WeakPolarHBondContact O-CB 3.37Å; T152-A156 PolarHBondContact O-N 3Å; W153-A156 PolarHBondContact O-N 3.44Å; V154-A156 VanDerWaalsContact C-N 3.34Å; V154-A156 PolarHBondContact O-N 3.43Å; A156-A159 PolarHBondContact O-N 3.39Å; A156-S160 WeakPolarHBondContact O-CB 3.5Å; A156-S160 PolarHBondContact O-N 3.22Å; A156-S160 VanDerWaalsContact O-N 3.13Å; A156-S160 PolarHBondContact O-OG 3.31Å |
| 157 | V | 97.5 | Very high | 95.5 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62 | -50 | 173.3 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | I110 W153 V154 A159 S160 L161 | I110-V157 HydrophobicContact CD1-CG2 3.97Å; I110-V157 HydrophobicContact CG1-CG2 4.21Å; W153-V157 WeakPolarHBondContact O-CG2 3.21Å; W153-V157 PolarHBondContact O-N 3.17Å; V154-V157 PolarHBondContact O-N 2.93Å; V157-A159 VanDerWaalsContact C-N 3.34Å; V157-A159 PolarHBondContact O-N 2.77Å; V157-S160 WeakPolarHBondContact O-CA 3.47Å; V157-S160 WeakPolarHBondContact O-CB 3.44Å; V157-S160 PolarHBondContact O-N 3.44Å; V157-L161 WeakPolarHBondContact O-CG 3.39Å; V157-L161 PolarHBondContact O-N 2.88Å; V157-L161 VanDerWaalsContact O-N 3.11Å |
| 158 | F | 96.9 | Very high | 95.3 | Very high | 135 Ų | 135 | 50 Ų | 50 | 59% | 0.592 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.4 | -42 | 177.7 | -83.5 | -71.4 | 0 | 0 | 0 | 112.9 | V154 V155 S160 L161 | V154-F158 HydrophobicContact CG1-CD2 3.65Å; V154-F158 HydrophobicContact CG1-CE2 3.52Å; V154-F158 WeakPolarHBondContact O-CD2 3.44Å; V154-F158 PolarHBondContact O-N 3.45Å; V155-F158 PolarHBondContact O-N 3.39Å; F158-S160 PolarHBondContact O-N 3.37Å; F158-L161 HydrophobicContact CD1-CD1 3.63Å; F158-L161 HydrophobicContact CE1-CD1 4.08Å; F158-L161 HydrophobicContact CG-CD1 4.44Å; F158-L161 PolarHBondContact O-N 3.48Å |
| 159 | A | 95.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 49.3 Ų | 49.3 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.8 | -26.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F113 V155 A156 V157 K197 L201 | F113-A159 HydrophobicContact CD1-CB 4.4Å; F113-A159 HydrophobicContact CD2-CB 3.8Å; F113-A159 HydrophobicContact CE2-CB 4.1Å; F113-A159 HydrophobicContact CG-CB 3.99Å; V155-A159 WeakPolarHBondContact O-CB 3.49Å; V155-A159 PolarHBondContact O-N 3.4Å; A156-A159 PolarHBondContact O-N 3.39Å; V157-A159 VanDerWaalsContact C-N 3.34Å; V157-A159 PolarHBondContact O-N 2.77Å; A159-K197 PolarHBondContact O-NZ 3Å; A159-L201 HydrophobicContact CB-CD1 4.35Å |
| 160 | S | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -84.2 | -25.6 | -179.4 | -55.9 | 0 | 0 | 0 | 0 | 113.2 | F109 I110 A156 V157 F158 G163 I164 | F109-S160 VanDerWaalsContact C-OG 3.23Å; F109-S160 WeakPolarHBondContact CB-OG 3.25Å; I110-S160 WeakPolarHBondContact CA-OG 3.36Å; I110-S160 WeakPolarHBondContact CG1-OG 3.48Å; I110-S160 PolarHBondContact N-OG 3.03Å; I110-S160 VanDerWaalsContact N-OG 3.17Å; A156-S160 WeakPolarHBondContact O-CB 3.5Å; A156-S160 PolarHBondContact O-N 3.22Å; A156-S160 VanDerWaalsContact O-N 3.13Å; A156-S160 PolarHBondContact O-OG 3.31Å; V157-S160 WeakPolarHBondContact O-CA 3.47Å; V157-S160 WeakPolarHBondContact O-CB 3.44Å; V157-S160 PolarHBondContact O-N 3.44Å; F158-S160 PolarHBondContact O-N 3.37Å; S160-G163 WeakPolarHBondContact O-CA 3.19Å; S160-G163 PolarHBondContact O-N 2.91Å; S160-I164 PolarHBondContact O-N 2.64Å; S160-I164 VanDerWaalsContact O-N 3.16Å |
| 161 | L | 94.3 | Very high | 94.3 | Very high | 65 Ų | 65 | 55 Ų | 55 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -51.6 | -47.1 | -174.6 | -71.8 | 176.4 | 0 | 0 | 0 | 114.6 | V157 F158 G163 I164 I165 | V157-L161 WeakPolarHBondContact O-CG 3.39Å; V157-L161 PolarHBondContact O-N 2.88Å; V157-L161 VanDerWaalsContact O-N 3.11Å; F158-L161 HydrophobicContact CD1-CD1 3.63Å; F158-L161 HydrophobicContact CE1-CD1 4.08Å; F158-L161 HydrophobicContact CG-CD1 4.44Å; F158-L161 PolarHBondContact O-N 3.48Å; L161-G163 VanDerWaalsContact C-N 3.26Å; L161-G163 PolarHBondContact O-N 3.39Å; L161-I164 PolarHBondContact O-N 3.48Å; L161-I164 VanDerWaalsContact O-N 3.1Å; L161-I165 VanDerWaalsContact O-CG1 3.3Å; L161-I165 WeakPolarHBondContact O-CG1 3.46Å; L161-I165 PolarHBondContact O-N 3.13Å |
| 162 | P | 91.3 | Very high | 93.5 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 16% | 0.156 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -39.2 | 178.4 | -23.4 | 34.1 | 0 | 0 | 0 | 112.1 | I164 I165 F166 F193 | P162-I164 VanDerWaalsContact C-N 3.32Å; P162-I164 PolarHBondContact O-N 3.44Å; P162-I165 PolarHBondContact O-N 3.36Å; P162-F166 HydrophobicContact CB-CD2 4.42Å; P162-F166 HydrophobicContact CB-CE2 4.31Å; P162-F166 WeakPolarHBondContact O-CD2 3.47Å; P162-F166 PolarHBondContact O-N 2.91Å; P162-F166 VanDerWaalsContact O-N 3.12Å; P162-F193 HydrophobicContact CB-CE1 4.48Å; P162-F193 HydrophobicContact CG-CE1 4.27Å |
| 163 | G | 89.2 | Confident | 92.7 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | S160 L161 T167 | S160-G163 WeakPolarHBondContact O-CA 3.19Å; S160-G163 PolarHBondContact O-N 2.91Å; L161-G163 VanDerWaalsContact C-N 3.26Å; L161-G163 PolarHBondContact O-N 3.39Å; G163-T167 WeakPolarHBondContact O-CB 3.42Å; G163-T167 PolarHBondContact O-N 3.37Å; G163-T167 PolarHBondContact O-OG1 2.99Å |
| 164 | I | 92.4 | Very high | 92 | Very high | 40 Ų | 40 | 62 Ų | 62 | 21% | 0.205 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.6 | -44.5 | 178.1 | -59.2 | 167.8 | 0 | 0 | 0 | 111.1 | Q102 G106 S160 L161 P162 T167 | Q102-I164 HydrophobicContact CB-CG2 4.2Å; G106-I164 VanDerWaalsContact CA-CG1 3.5Å; S160-I164 PolarHBondContact O-N 2.64Å; S160-I164 VanDerWaalsContact O-N 3.16Å; L161-I164 PolarHBondContact O-N 3.48Å; L161-I164 VanDerWaalsContact O-N 3.1Å; P162-I164 VanDerWaalsContact C-N 3.32Å; P162-I164 PolarHBondContact O-N 3.44Å; I164-T167 PolarHBondContact O-N 2.88Å |
| 165 | I | 93 | Very high | 91.3 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 54% | 0.538 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | -175.8 | -67 | 163.9 | 0 | 0 | 0 | 111.5 | L161 P162 | L161-I165 VanDerWaalsContact O-CG1 3.3Å; L161-I165 WeakPolarHBondContact O-CG1 3.46Å; L161-I165 PolarHBondContact O-N 3.13Å; P162-I165 PolarHBondContact O-N 3.36Å |
| 166 | F | 92.1 | Very high | 91 | Very high | 26 Ų | 26 | 64.3 Ų | 64.3 | 11% | 0.114 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -82.9 | -15.5 | -177.9 | -65.3 | -57.5 | 0 | 0 | 0 | 113.4 | P162 S180 H181 F182 P183 W190 | P162-F166 HydrophobicContact CB-CD2 4.42Å; P162-F166 HydrophobicContact CB-CE2 4.31Å; P162-F166 WeakPolarHBondContact O-CD2 3.47Å; P162-F166 PolarHBondContact O-N 2.91Å; P162-F166 VanDerWaalsContact O-N 3.12Å; F166-S180 CarbonylContact O-C 3.52Å; F166-S180 WeakPolarHBondContact O-CA 3.36Å; F166-H181 PolarHBondContact O-N 3.41Å; F166-F182 HydrophobicContact CB-CD1 3.9Å; F166-F182 HydrophobicContact CB-CE1 3.83Å; F166-F182 AromaticContact CD1-CD1 3.99Å; F166-F182 HydrophobicContact CD1-CD1 3.99Å; F166-F182 AromaticContact CD2-CD1 3.87Å; F166-F182 HydrophobicContact CD2-CD1 3.87Å; F166-F182 AromaticContact CD2-CE1 3.8Å; F166-F182 HydrophobicContact CD2-CE1 3.8Å; F166-F182 HydrophobicContact CE2-CD1 4.47Å; F166-F182 AromaticContact CG-CD1 3.64Å; F166-F182 HydrophobicContact CG-CD1 3.64Å; F166-F182 AromaticContact CG-CE1 3.84Å; F166-F182 HydrophobicContact CG-CE1 3.84Å; F166-P183 HydrophobicContact CE1-CG 4.07Å; F166-W190 HydrophobicContact CD2-CE3 4.43Å; F166-W190 HydrophobicContact CE1-CD2 4.33Å; F166-W190 AromaticContact CE2-CD2 3.75Å; F166-W190 HydrophobicContact CE2-CD2 3.75Å; F166-W190 AromaticContact CE2-CE3 3.31Å; F166-W190 HydrophobicContact CE2-CE3 3.31Å; F166-W190 HydrophobicContact CE2-CG 4.39Å; F166-W190 HydrophobicContact CE2-CH2 4.26Å; F166-W190 AromaticContact CE2-CZ3 3.61Å; F166-W190 HydrophobicContact CE2-CZ3 3.61Å; F166-W190 AromaticContact CZ-CD2 3.43Å; F166-W190 HydrophobicContact CZ-CD2 3.43Å; F166-W190 VanDerWaalsContact CZ-CD2 3.43Å; F166-W190 AromaticContact CZ-CE2 3.68Å; F166-W190 AromaticContact CZ-CE3 3.47Å; F166-W190 HydrophobicContact CZ-CE3 3.47Å; F166-W190 VanDerWaalsContact CZ-CE3 3.47Å; F166-W190 HydrophobicContact CZ-CG 4.02Å; F166-W190 AromaticContact CZ-CH2 3.96Å; F166-W190 HydrophobicContact CZ-CH2 3.96Å; F166-W190 AromaticContact CZ-CZ2 3.94Å; F166-W190 HydrophobicContact CZ-CZ2 3.94Å; F166-W190 AromaticContact CZ-CZ3 3.74Å; F166-W190 HydrophobicContact CZ-CZ3 3.74Å |
| 167 | T | 92.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 128.2 | -179.2 | -59 | 0 | 0 | 0 | 0 | 111.1 | C101 Q102 T105 G163 I164 S179 S180 | C101-T167 VanDerWaalsContact SG-CG2 3.55Å; Q102-T167 WeakPolarHBondContact CG-O 3.31Å; Q102-T167 PolarHBondContact NE2-O 3.24Å; T105-T167 HydrophobicContact CG2-CG2 4.08Å; T105-T167 WeakPolarHBondContact OG1-CG2 3.49Å; G163-T167 WeakPolarHBondContact O-CB 3.42Å; G163-T167 PolarHBondContact O-N 3.37Å; G163-T167 PolarHBondContact O-OG1 2.99Å; I164-T167 PolarHBondContact O-N 2.88Å; T167-S179 WeakPolarHBondContact CA-O 3.27Å; T167-S180 PolarHBondContact OG1-OG 2.95Å |
| 168 | R | 92.4 | Very high | 90.4 | Very high | 148 Ų | 148 | 62.8 Ų | 62.8 | 56% | 0.558 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 156.2 | -179.8 | -63.2 | -170.9 | 180 | -162.1 | -0.8 | 110.6 | N98 S179 | N98-R168 VanDerWaalsContact OD1-CA 3.27Å; N98-R168 WeakPolarHBondContact OD1-CA 3.36Å; R168-S179 PolarHBondContact N-O 3.38Å; R168-S179 PolarHBondContact O-N 3.2Å; R168-S179 VanDerWaalsContact O-N 3.15Å |
| 169 | S | 92.4 | Very high | 90 | Very high | 23 Ų | 23 | 58 Ų | 58 | 16% | 0.161 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 126.4 | 167 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | N98 T177 | N98-S169 PolarHBondContact OD1-N 3.05Å; S169-T177 WeakPolarHBondContact CA-O 3.45Å; S169-T177 WeakPolarHBondContact CB-O 3.48Å; S169-T177 PolarHBondContact OG-O 3.23Å |
| 170 | Q | 89.3 | Confident | 89.7 | Confident | 80 Ų | 80 | 59.8 Ų | 59.8 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 160.9 | 176.4 | 61.4 | 170.5 | 30 | 0 | 0 | 111.2 | E172 T177 H181 | Q170-E172 HydrophobicContact CG-CG 4.14Å; Q170-E172 PolarHBondContact NE2-OE1 3.45Å; Q170-T177 PolarHBondContact N-O 3.39Å; Q170-T177 PolarHBondContact O-N 3.47Å; Q170-T177 PolarHBondContact O-OG1 2.95Å; Q170-H181 WeakPolarHBondContact CG-NE2 3.39Å; Q170-H181 PolarHBondContact NE2-CE1 3.3Å; Q170-H181 PolarHBondContact NE2-NE2 3.18Å |
| 171 | K | 87.9 | Confident | 89.3 | Confident | 130 Ų | 130 | 62.2 Ų | 62.2 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 111.9 | 176.1 | -170.5 | 178.1 | 178.8 | -177.1 | 0 | 109.1 | G173 Y176 | K171-G173 WeakPolarHBondContact CE-O 3.36Å; K171-Y176 HydrophobicContact CB-CD1 4.1Å; K171-Y176 HydrophobicContact CB-CE1 3.89Å; K171-Y176 HydrophobicContact CG-CE1 4.47Å |
| 172 | E | 81.4 | Confident | 89.1 | Confident | 84 Ų | 84 | 60.5 Ų | 60.5 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 103 | 176.2 | -73.5 | 175.5 | 169.6 | 0 | 0 | 109 | Q170 L174 H175 T177 H181 | Q170-E172 HydrophobicContact CG-CG 4.14Å; Q170-E172 PolarHBondContact NE2-OE1 3.45Å; E172-L174 PolarHBondContact O-N 3.19Å; E172-H175 PolarHBondContact N-O 2.98Å; E172-H175 PolarHBondContact O-N 3.42Å; E172-T177 HydrophobicContact CB-CG2 4.26Å; E172-T177 WeakPolarHBondContact OE2-CG2 3.36Å; E172-T177 PolarHBondContact OE2-OG1 3.36Å; E172-H181 IonicContact OE1-CE1 3.19Å; E172-H181 PolarHBondContact OE1-CE1 3.47Å; E172-H181 IonicContact OE1-NE2 3.26Å |
| 173 | G | 81.3 | Confident | 89 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 72% | 0.722 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | -118.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K171 | K171-G173 WeakPolarHBondContact CE-O 3.36Š|
| 174 | L | 82.4 | Confident | 88.9 | Confident | 151 Ų | 151 | 72.2 Ų | 72.2 | 79% | 0.791 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -11.8 | -178.6 | -76.6 | 151.9 | 0 | 0 | 0 | 113.8 | E172 | E172-L174 PolarHBondContact O-N 3.19Š|
| 175 | H | 85.1 | Confident | 88.9 | Confident | 80 Ų | 80 | 75.5 Ų | 75.5 | 37% | 0.37 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150 | -169.9 | -63.3 | -67.3 | 0 | 0 | 0 | 112.6 | Q93 E172 | Q93-H175 HydrophobicContact CB-CB 4.29Å; Q93-H175 PolarHBondContact OE1-ND1 3.25Å; Q93-H175 VanDerWaalsContact OE1-ND1 3.16Å; E172-H175 PolarHBondContact N-O 2.98Å; E172-H175 PolarHBondContact O-N 3.42Å |
| 176 | Y | 89.7 | Confident | 88.8 | Confident | 110 Ų | 110 | 75.3 Ų | 75.3 | 43% | 0.431 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 131.7 | 167.1 | -73.1 | -86.1 | 0 | 0 | 0 | 110.2 | W94 K171 | W94-Y176 WeakPolarHBondContact CB-O 3.37Å; W94-Y176 PolarHBondContact N-O 2.53Å; W94-Y176 WeakPolarHBondContact O-CB 3.23Å; K171-Y176 HydrophobicContact CB-CD1 4.1Å; K171-Y176 HydrophobicContact CB-CE1 3.89Å; K171-Y176 HydrophobicContact CG-CE1 4.47Å |
| 177 | T | 90.4 | Very high | 88.7 | Confident | 16 Ų | 16 | 79.3 Ų | 79.3 | 10% | 0.098 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 160.6 | 175.6 | 59.2 | 0 | 0 | 0 | 0 | 110.5 | S169 Q170 E172 | S169-T177 WeakPolarHBondContact CA-O 3.45Å; S169-T177 WeakPolarHBondContact CB-O 3.48Å; S169-T177 PolarHBondContact OG-O 3.23Å; Q170-T177 PolarHBondContact N-O 3.39Å; Q170-T177 PolarHBondContact O-N 3.47Å; Q170-T177 PolarHBondContact O-OG1 2.95Å; E172-T177 HydrophobicContact CB-CG2 4.26Å; E172-T177 WeakPolarHBondContact OE2-CG2 3.36Å; E172-T177 PolarHBondContact OE2-OG1 3.36Å |
| 178 | C | 92.9 | Very high | 88.6 | Confident | 12 Ų | 12 | 83.1 Ų | 83.1 | 8% | 0.081 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 102.2 | 169.1 | 172.6 | 0 | 0 | 0 | 0 | 106.7 | W94 C101 | W94-C178 HydrophobicContact CB-CB 4.39Å; W94-C178 HydrophobicContact CD2-CB 3.44Å; W94-C178 VanDerWaalsContact CD2-CB 3.44Å; W94-C178 HydrophobicContact CE3-CB 3.61Å; W94-C178 HydrophobicContact CG-CB 3.78Å; W94-C178 HydrophobicContact CH2-CB 4.41Å; W94-C178 HydrophobicContact CZ2-CB 4.34Å; W94-C178 HydrophobicContact CZ3-CB 4.08Å; C101-C178 VanDerWaalsContact CA-SG 3.59Å; C101-C178 HydrophobicContact CB-CB 3.93Å; C101-C178 WeakPolarHBondContact CB-SG 3.47Å; C101-C178 WeakPolarHBondContact SG-CB 3.37Å; C101-C178 CovalentContact SG-SG 2.03Å; C101-C178 PolarHBondContact SG-SG 3.32Å |
| 179 | S | 88.9 | Confident | 88.6 | Confident | 34 Ų | 34 | 82 Ų | 82 | 24% | 0.238 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 162.1 | -171.4 | 58.5 | 0 | 0 | 0 | 0 | 111.3 | T167 R168 H181 | T167-S179 WeakPolarHBondContact CA-O 3.27Å; R168-S179 PolarHBondContact N-O 3.38Å; R168-S179 PolarHBondContact O-N 3.2Å; R168-S179 VanDerWaalsContact O-N 3.15Å; S179-H181 PolarHBondContact O-CD2 2.91Å; S179-H181 VanDerWaalsContact O-CD2 3.27Å; S179-H181 PolarHBondContact OG-CE1 3.02Å; S179-H181 PolarHBondContact OG-NE2 2.76Å |
| 180 | S | 88.6 | Confident | 88.6 | Confident | 53 Ų | 53 | 83.7 Ų | 83.7 | 37% | 0.371 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 123.3 | 179.4 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | F166 T167 | F166-S180 CarbonylContact O-C 3.52Å; F166-S180 WeakPolarHBondContact O-CA 3.36Å; T167-S180 PolarHBondContact OG1-OG 2.95Å |
| 181 | H | 88.8 | Confident | 88.7 | Confident | 52 Ų | 52 | 81.9 Ų | 81.9 | 24% | 0.241 | 41% | 0.411 | C | S | . | . | trans | -112.2 | 110.7 | 176.9 | -64.1 | -73.2 | 0 | 0 | 0 | 110.2 | F166 Q170 E172 S179 | F166-H181 PolarHBondContact O-N 3.41Å; Q170-H181 WeakPolarHBondContact CG-NE2 3.39Å; Q170-H181 PolarHBondContact NE2-CE1 3.3Å; Q170-H181 PolarHBondContact NE2-NE2 3.18Å; E172-H181 IonicContact OE1-CE1 3.19Å; E172-H181 PolarHBondContact OE1-CE1 3.47Å; E172-H181 IonicContact OE1-NE2 3.26Å; S179-H181 PolarHBondContact O-CD2 2.91Å; S179-H181 VanDerWaalsContact O-CD2 3.27Å; S179-H181 PolarHBondContact OG-CE1 3.02Å; S179-H181 PolarHBondContact OG-NE2 2.76Å | ||
| 182 | F | 89.9 | Confident | 89 | Confident | 28 Ų | 28 | 77.5 Ų | 77.5 | 12% | 0.123 | 39% | 0.394 | C | S | . | . | trans | -91.2 | 148.2 | 175.8 | -55.1 | -60.2 | 0 | 0 | 0 | 111.2 | F166 Y184 Y187 W190 K191 Q194 | F166-F182 HydrophobicContact CB-CD1 3.9Å; F166-F182 HydrophobicContact CB-CE1 3.83Å; F166-F182 AromaticContact CD1-CD1 3.99Å; F166-F182 HydrophobicContact CD1-CD1 3.99Å; F166-F182 AromaticContact CD2-CD1 3.87Å; F166-F182 HydrophobicContact CD2-CD1 3.87Å; F166-F182 AromaticContact CD2-CE1 3.8Å; F166-F182 HydrophobicContact CD2-CE1 3.8Å; F166-F182 HydrophobicContact CE2-CD1 4.47Å; F166-F182 AromaticContact CG-CD1 3.64Å; F166-F182 HydrophobicContact CG-CD1 3.64Å; F166-F182 AromaticContact CG-CE1 3.84Å; F166-F182 HydrophobicContact CG-CE1 3.84Å; F182-Y184 PolarHBondContact O-N 3.5Å; F182-Y187 HydrophobicContact CB-CD2 3.89Å; F182-Y187 HydrophobicContact CB-CE2 4.38Å; F182-Y187 HydrophobicContact CD2-CD2 4.37Å; F182-Y187 HydrophobicContact CD2-CE2 4.11Å; F182-W190 HydrophobicContact CB-CB 3.96Å; F182-W190 HydrophobicContact CD1-CB 3.55Å; F182-W190 HydrophobicContact CD1-CG 4.47Å; F182-W190 HydrophobicContact CE1-CB 4.22Å; F182-W190 HydrophobicContact CG-CB 3.81Å; F182-K191 HydrophobicContact CD2-CB 4.2Å; F182-K191 HydrophobicContact CE2-CB 4.17Å; F182-K191 HydrophobicContact CE2-CG 4.43Å; F182-Q194 HydrophobicContact CZ-CB 4.18Å; F182-Q194 HydrophobicContact CZ-CG 4.39Å | ||
| 183 | P | 88.8 | Confident | 89.6 | Confident | 53 Ų | 53 | 77.8 Ų | 77.8 | 34% | 0.344 | 39% | 0.394 | S | S | . | . | trans | -58.9 | 130.8 | 176.4 | -21.1 | 31.3 | 0 | 0 | 0 | 111.7 | F166 S185 Q186 Y187 | F166-P183 HydrophobicContact CE1-CG 4.07Å; P183-S185 VanDerWaalsContact C-N 3.27Å; P183-S185 PolarHBondContact O-N 2.82Å; P183-Q186 CarbonylContact O-C 3.6Å; P183-Q186 PolarHBondContact O-N 3.26Å; P183-Y187 WeakPolarHBondContact O-CA 3.2Å; P183-Y187 PolarHBondContact O-N 3.49Å | ||
| 184 | Y | 87.8 | Confident | 90.2 | Very high | 219 Ų | 219 | 75.1 Ų | 75.1 | 86% | 0.859 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -56.2 | -38.1 | -177 | -66.5 | -74 | 0 | 0 | 0 | 113.6 | F182 Q186 | F182-Y184 PolarHBondContact O-N 3.5Å; Y184-Q186 PolarHBondContact O-N 3.33Å |
| 185 | S | 91.6 | Very high | 90.7 | Very high | 109 Ų | 109 | 68.3 Ų | 68.3 | 76% | 0.762 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -62.8 | -24 | 179.7 | 55.8 | 0 | 0 | 0 | 0 | 114 | P183 | P183-S185 VanDerWaalsContact C-N 3.27Å; P183-S185 PolarHBondContact O-N 2.82Å |
| 186 | Q | 91.6 | Very high | 91.2 | Very high | 101 Ų | 101 | 68 Ų | 68 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -134.8 | 27.9 | -175.9 | -66.2 | -179.3 | -16.5 | 0 | 0 | 111.5 | P183 Y184 Q188 F189 W190 | P183-Q186 CarbonylContact O-C 3.6Å; P183-Q186 PolarHBondContact O-N 3.26Å; Y184-Q186 PolarHBondContact O-N 3.33Å; Q186-Q188 PolarHBondContact O-N 3.08Å; Q186-F189 HydrophobicContact CB-CB 4.41Å; Q186-F189 WeakPolarHBondContact O-CB 3.42Å; Q186-F189 PolarHBondContact O-N 3.31Å; Q186-F189 VanDerWaalsContact O-N 3.13Å; Q186-W190 VanDerWaalsContact O-CD1 3.31Å; Q186-W190 PolarHBondContact O-N 2.84Å; Q186-W190 VanDerWaalsContact O-N 3.09Å; Q186-W190 VanDerWaalsContact OE1-NE1 3.1Å |
| 187 | Y | 89.3 | Confident | 91.5 | Very high | 109 Ų | 109 | 63.7 Ų | 63.7 | 43% | 0.427 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.5 | -50.5 | -170.4 | 177.1 | -97.9 | 0 | 0 | 0 | 112.2 | F182 P183 F189 W190 K191 | F182-Y187 HydrophobicContact CB-CD2 3.89Å; F182-Y187 HydrophobicContact CB-CE2 4.38Å; F182-Y187 HydrophobicContact CD2-CD2 4.37Å; F182-Y187 HydrophobicContact CD2-CE2 4.11Å; P183-Y187 WeakPolarHBondContact O-CA 3.2Å; P183-Y187 PolarHBondContact O-N 3.49Å; Y187-F189 VanDerWaalsContact C-N 3.33Å; Y187-F189 PolarHBondContact O-N 3.15Å; Y187-W190 PolarHBondContact O-N 3.47Å; Y187-K191 HydrophobicContact CE1-CD 4.09Å; Y187-K191 VanDerWaalsContact O-CB 3.3Å; Y187-K191 WeakPolarHBondContact O-CB 3.46Å; Y187-K191 PolarHBondContact O-N 3.33Å |
| 188 | Q | 89.6 | Confident | 91.7 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 39% | 0.393 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | -179.2 | -167.3 | 62.9 | 37.7 | 0 | 0 | 112.4 | Q186 N192 | Q186-Q188 PolarHBondContact O-N 3.08Å; Q188-N192 PolarHBondContact NE2-OD1 3.25Å; Q188-N192 VanDerWaalsContact O-CB 3.23Å; Q188-N192 WeakPolarHBondContact O-CB 3.46Å; Q188-N192 PolarHBondContact O-N 3.05Å; Q188-N192 PolarHBondContact O-ND2 3.02Å; Q188-N192 PolarHBondContact O-OD1 3.29Å |
| 189 | F | 92.8 | Very high | 91.9 | Very high | 123 Ų | 123 | 63.5 Ų | 63.5 | 54% | 0.539 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.4 | -51.3 | 178.7 | 175.4 | -93.5 | 0 | 0 | 0 | 111 | Q186 Y187 N192 F193 | Q186-F189 HydrophobicContact CB-CB 4.41Å; Q186-F189 WeakPolarHBondContact O-CB 3.42Å; Q186-F189 PolarHBondContact O-N 3.31Å; Q186-F189 VanDerWaalsContact O-N 3.13Å; Y187-F189 VanDerWaalsContact C-N 3.33Å; Y187-F189 PolarHBondContact O-N 3.15Å; F189-N192 PolarHBondContact O-N 3.43Å; F189-F193 VanDerWaalsContact O-CB 3.27Å; F189-F193 WeakPolarHBondContact O-CB 3.39Å; F189-F193 PolarHBondContact O-N 2.68Å |
| 190 | W | 92.9 | Very high | 92.2 | Very high | 60 Ų | 60 | 66 Ų | 66 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.2 | -37.6 | -178.9 | -72.6 | 108.8 | 0 | 0 | 0 | 112.8 | F166 F182 Q186 Y187 F193 Q194 | F166-W190 HydrophobicContact CD2-CE3 4.43Å; F166-W190 HydrophobicContact CE1-CD2 4.33Å; F166-W190 AromaticContact CE2-CD2 3.75Å; F166-W190 HydrophobicContact CE2-CD2 3.75Å; F166-W190 AromaticContact CE2-CE3 3.31Å; F166-W190 HydrophobicContact CE2-CE3 3.31Å; F166-W190 HydrophobicContact CE2-CG 4.39Å; F166-W190 HydrophobicContact CE2-CH2 4.26Å; F166-W190 AromaticContact CE2-CZ3 3.61Å; F166-W190 HydrophobicContact CE2-CZ3 3.61Å; F166-W190 AromaticContact CZ-CD2 3.43Å; F166-W190 HydrophobicContact CZ-CD2 3.43Å; F166-W190 VanDerWaalsContact CZ-CD2 3.43Å; F166-W190 AromaticContact CZ-CE2 3.68Å; F166-W190 AromaticContact CZ-CE3 3.47Å; F166-W190 HydrophobicContact CZ-CE3 3.47Å; F166-W190 VanDerWaalsContact CZ-CE3 3.47Å; F166-W190 HydrophobicContact CZ-CG 4.02Å; F166-W190 AromaticContact CZ-CH2 3.96Å; F166-W190 HydrophobicContact CZ-CH2 3.96Å; F166-W190 AromaticContact CZ-CZ2 3.94Å; F166-W190 HydrophobicContact CZ-CZ2 3.94Å; F166-W190 AromaticContact CZ-CZ3 3.74Å; F166-W190 HydrophobicContact CZ-CZ3 3.74Å; F182-W190 HydrophobicContact CB-CB 3.96Å; F182-W190 HydrophobicContact CD1-CB 3.55Å; F182-W190 HydrophobicContact CD1-CG 4.47Å; F182-W190 HydrophobicContact CE1-CB 4.22Å; F182-W190 HydrophobicContact CG-CB 3.81Å; Q186-W190 VanDerWaalsContact O-CD1 3.31Å; Q186-W190 PolarHBondContact O-N 2.84Å; Q186-W190 VanDerWaalsContact O-N 3.09Å; Q186-W190 VanDerWaalsContact OE1-NE1 3.1Å; Y187-W190 PolarHBondContact O-N 3.47Å; W190-F193 HydrophobicContact CE3-CD1 4.12Å; W190-F193 HydrophobicContact CZ3-CD1 4.13Å; W190-F193 HydrophobicContact CZ3-CE1 4.39Å; W190-F193 PolarHBondContact O-N 3.23Å; W190-Q194 WeakPolarHBondContact O-CB 3.28Å; W190-Q194 PolarHBondContact O-N 2.94Å |
| 191 | K | 90.9 | Very high | 92.6 | Very high | 41 Ų | 41 | 65.5 Ų | 65.5 | 18% | 0.178 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.1 | -50.3 | 172.4 | -169.7 | -172.5 | 178.4 | -167.5 | 0 | 110.8 | F182 Y187 Q194 T195 T259 | F182-K191 HydrophobicContact CD2-CB 4.2Å; F182-K191 HydrophobicContact CE2-CB 4.17Å; F182-K191 HydrophobicContact CE2-CG 4.43Å; Y187-K191 HydrophobicContact CE1-CD 4.09Å; Y187-K191 VanDerWaalsContact O-CB 3.3Å; Y187-K191 WeakPolarHBondContact O-CB 3.46Å; Y187-K191 PolarHBondContact O-N 3.33Å; K191-Q194 PolarHBondContact O-N 2.97Å; K191-T195 PolarHBondContact O-N 3.05Å; K191-T195 VanDerWaalsContact O-N 3.12Å; K191-T195 PolarHBondContact O-OG1 3.13Å; K191-T259 HydrophobicContact CD-CG2 4.45Å; K191-T259 HydrophobicContact CG-CG2 4.2Å |
| 192 | N | 93.4 | Very high | 92.8 | Very high | 39 Ų | 39 | 63 Ų | 63 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 177.7 | -71.4 | -8 | 0 | 0 | 0 | 111.8 | Q188 F189 Q194 T195 L196 T259 | Q188-N192 PolarHBondContact NE2-OD1 3.25Å; Q188-N192 VanDerWaalsContact O-CB 3.23Å; Q188-N192 WeakPolarHBondContact O-CB 3.46Å; Q188-N192 PolarHBondContact O-N 3.05Å; Q188-N192 PolarHBondContact O-ND2 3.02Å; Q188-N192 PolarHBondContact O-OD1 3.29Å; F189-N192 PolarHBondContact O-N 3.43Å; N192-Q194 PolarHBondContact O-N 3.36Å; N192-T195 PolarHBondContact O-N 2.95Å; N192-L196 WeakPolarHBondContact O-CB 3.43Å; N192-L196 VanDerWaalsContact O-CG 3.27Å; N192-L196 WeakPolarHBondContact O-CG 3.24Å; N192-L196 PolarHBondContact O-N 3.48Å; N192-T259 WeakPolarHBondContact OD1-CG2 3.47Å |
| 193 | F | 94.6 | Very high | 93 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 179.5 | 176.8 | -97.7 | 0 | 0 | 0 | 111.5 | P162 F189 W190 K197 | P162-F193 HydrophobicContact CB-CE1 4.48Å; P162-F193 HydrophobicContact CG-CE1 4.27Å; F189-F193 VanDerWaalsContact O-CB 3.27Å; F189-F193 WeakPolarHBondContact O-CB 3.39Å; F189-F193 PolarHBondContact O-N 2.68Å; W190-F193 HydrophobicContact CE3-CD1 4.12Å; W190-F193 HydrophobicContact CZ3-CD1 4.13Å; W190-F193 HydrophobicContact CZ3-CE1 4.39Å; W190-F193 PolarHBondContact O-N 3.23Å; F193-K197 WeakPolarHBondContact O-CB 3.41Å; F193-K197 PolarHBondContact O-N 3.15Å |
| 194 | Q | 93.2 | Very high | 93.3 | Very high | 15 Ų | 15 | 64.1 Ų | 64.1 | 7% | 0.07 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | -179.7 | -173.7 | 70.3 | -9.5 | 0 | 0 | 111.6 | F182 W190 K191 N192 I198 | F182-Q194 HydrophobicContact CZ-CB 4.18Å; F182-Q194 HydrophobicContact CZ-CG 4.39Å; W190-Q194 WeakPolarHBondContact O-CB 3.28Å; W190-Q194 PolarHBondContact O-N 2.94Å; K191-Q194 PolarHBondContact O-N 2.97Å; N192-Q194 PolarHBondContact O-N 3.36Å; Q194-I198 HydrophobicContact CG-CD1 4.22Å; Q194-I198 WeakPolarHBondContact O-CG1 3.49Å; Q194-I198 PolarHBondContact O-N 3.4Å; Q194-I198 VanDerWaalsContact O-N 3.13Å |
| 195 | T | 93.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.043 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -50.1 | 177.4 | -66.4 | 0 | 0 | 0 | 0 | 112 | K191 N192 K197 I198 V199 L255 L256 T259 | K191-T195 PolarHBondContact O-N 3.05Å; K191-T195 VanDerWaalsContact O-N 3.12Å; K191-T195 PolarHBondContact O-OG1 3.13Å; N192-T195 PolarHBondContact O-N 2.95Å; T195-K197 VanDerWaalsContact C-N 3.29Å; T195-K197 PolarHBondContact O-N 3.02Å; T195-I198 PolarHBondContact O-N 3.27Å; T195-V199 HydrophobicContact CG2-CG2 4.3Å; T195-V199 WeakPolarHBondContact O-CG2 3.5Å; T195-V199 PolarHBondContact O-N 3.14Å; T195-L255 HydrophobicContact CG2-CD2 4.38Å; T195-L255 HydrophobicContact CG2-CG 4.03Å; T195-L256 HydrophobicContact CG2-CD1 4.48Å; T195-T259 WeakPolarHBondContact CB-OG1 3.25Å; T195-T259 HydrophobicContact CG2-CG2 4.17Å; T195-T259 WeakPolarHBondContact CG2-OG1 3.3Å; T195-T259 PolarHBondContact OG1-OG1 3.22Å |
| 196 | L | 95.7 | Very high | 93.8 | Very high | 73 Ų | 73 | 51.4 Ų | 51.4 | 38% | 0.382 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 179.7 | -71.3 | 175.2 | 0 | 0 | 0 | 111.3 | N192 I198 V199 I200 F260 | N192-L196 WeakPolarHBondContact O-CB 3.43Å; N192-L196 VanDerWaalsContact O-CG 3.27Å; N192-L196 WeakPolarHBondContact O-CG 3.24Å; N192-L196 PolarHBondContact O-N 3.48Å; L196-I198 PolarHBondContact O-N 3.15Å; L196-V199 PolarHBondContact O-N 3.02Å; L196-I200 HydrophobicContact CB-CD1 4.24Å; L196-I200 WeakPolarHBondContact O-CB 3.01Å; L196-I200 WeakPolarHBondContact O-CD1 3.25Å; L196-I200 WeakPolarHBondContact O-CG1 3.21Å; L196-I200 PolarHBondContact O-N 3.47Å; L196-F260 HydrophobicContact CD2-CE2 4.47Å; L196-F260 HydrophobicContact CD2-CZ 4.45Å |
| 197 | K | 95.9 | Very high | 93.9 | Very high | 21 Ų | 21 | 50.6 Ų | 50.6 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.8 | -49.3 | 174.8 | -178.6 | -158.8 | 73.1 | 177.3 | 0 | 111.6 | F113 A159 F193 T195 L201 | F113-K197 HydrophobicContact CZ-CD 4.47Å; A159-K197 PolarHBondContact O-NZ 3Å; F193-K197 WeakPolarHBondContact O-CB 3.41Å; F193-K197 PolarHBondContact O-N 3.15Å; T195-K197 VanDerWaalsContact C-N 3.29Å; T195-K197 PolarHBondContact O-N 3.02Å; K197-L201 HydrophobicContact CG-CD1 3.89Å; K197-L201 WeakPolarHBondContact O-CB 3.48Å; K197-L201 WeakPolarHBondContact O-CG 3.4Å; K197-L201 PolarHBondContact O-N 3.23Å |
| 198 | I | 94.9 | Very high | 94.1 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 5% | 0.046 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -47.4 | 179.7 | -68.1 | 166.3 | 0 | 0 | 0 | 110.3 | F109 F112 F113 Q194 T195 L196 G202 N252 L255 | F109-I198 HydrophobicContact CE1-CD1 4.06Å; F112-I198 HydrophobicContact CE1-CG2 4.21Å; F112-I198 HydrophobicContact CZ-CG2 4.29Å; F113-I198 HydrophobicContact CZ-CG1 4.26Å; Q194-I198 HydrophobicContact CG-CD1 4.22Å; Q194-I198 WeakPolarHBondContact O-CG1 3.49Å; Q194-I198 PolarHBondContact O-N 3.4Å; Q194-I198 VanDerWaalsContact O-N 3.13Å; T195-I198 PolarHBondContact O-N 3.27Å; L196-I198 PolarHBondContact O-N 3.15Å; I198-G202 VanDerWaalsContact O-CA 3.25Å; I198-G202 WeakPolarHBondContact O-CA 3.5Å; I198-G202 PolarHBondContact O-N 3.48Å; I198-N252 PolarHBondContact O-OD1 2.99Å; I198-L255 HydrophobicContact CB-CD2 4.03Å; I198-L255 HydrophobicContact CD1-CD2 3.97Å; I198-L255 HydrophobicContact CG2-CD2 3.78Å |
| 199 | V | 95.8 | Very high | 94.4 | Very high | 15 Ų | 15 | 47 Ų | 47 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.5 | -43.4 | -178.7 | 173.9 | 0 | 0 | 0 | 0 | 112 | T195 L196 L203 V204 N252 L256 | T195-V199 HydrophobicContact CG2-CG2 4.3Å; T195-V199 WeakPolarHBondContact O-CG2 3.5Å; T195-V199 PolarHBondContact O-N 3.14Å; L196-V199 PolarHBondContact O-N 3.02Å; V199-L203 WeakPolarHBondContact O-CA 3.23Å; V199-L203 VanDerWaalsContact O-CB 3.28Å; V199-L203 WeakPolarHBondContact O-CB 3.38Å; V199-L203 PolarHBondContact O-N 3.1Å; V199-V204 HydrophobicContact CG1-CG2 4.26Å; V199-V204 PolarHBondContact O-N 3.44Å; V199-N252 HydrophobicContact CG2-CB 4.42Å; V199-L256 HydrophobicContact CG2-CD1 4.3Å |
| 200 | I | 96.6 | Very high | 94.2 | Very high | 86 Ų | 86 | 42.4 Ų | 42.4 | 44% | 0.441 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -65.3 | -50.9 | -179.1 | -69.9 | 166.5 | 0 | 0 | 0 | 110.1 | L196 V204 L205 | L196-I200 HydrophobicContact CB-CD1 4.24Å; L196-I200 WeakPolarHBondContact O-CB 3.01Å; L196-I200 WeakPolarHBondContact O-CD1 3.25Å; L196-I200 WeakPolarHBondContact O-CG1 3.21Å; L196-I200 PolarHBondContact O-N 3.47Å; I200-V204 PolarHBondContact O-N 2.81Å; I200-L205 VanDerWaalsContact O-CB 3.24Å; I200-L205 WeakPolarHBondContact O-CB 3.45Å; I200-L205 PolarHBondContact O-N 3.45Å |
| 201 | L | 96.4 | Very high | 94.1 | Very high | 43 Ų | 43 | 43.6 Ų | 43.6 | 23% | 0.225 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -76.9 | -34.3 | -176 | -61.4 | 178.2 | 0 | 0 | 0 | 112.6 | F113 F117 A159 K197 L205 P206 | F113-L201 HydrophobicContact CD1-CB 4.26Å; F113-L201 HydrophobicContact CD1-CD1 4.3Å; F113-L201 HydrophobicContact CE1-CB 4Å; F113-L201 HydrophobicContact CE1-CD1 3.99Å; F117-L201 HydrophobicContact CE1-CB 4.41Å; F117-L201 HydrophobicContact CE1-CD2 4.49Å; F117-L201 HydrophobicContact CZ-CD1 4.35Å; A159-L201 HydrophobicContact CB-CD1 4.35Å; K197-L201 HydrophobicContact CG-CD1 3.89Å; K197-L201 WeakPolarHBondContact O-CB 3.48Å; K197-L201 WeakPolarHBondContact O-CG 3.4Å; K197-L201 PolarHBondContact O-N 3.23Å; L201-L205 HydrophobicContact CD2-CD2 4.25Å; L201-P206 WeakPolarHBondContact O-CD 3.22Å |
| 202 | G | 92.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -91.7 | -19.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | I198 P206 Y244 | I198-G202 VanDerWaalsContact O-CA 3.25Å; I198-G202 WeakPolarHBondContact O-CA 3.5Å; I198-G202 PolarHBondContact O-N 3.48Å; G202-P206 WeakPolarHBondContact O-CG 3.27Å; G202-Y244 VanDerWaalsContact O-CE1 3.27Å; G202-Y244 WeakPolarHBondContact O-CE1 3.35Å; G202-Y244 PolarHBondContact O-OH 3.1Å |
| 203 | L | 94.1 | Very high | 94.1 | Very high | 29 Ų | 29 | 44.7 Ų | 44.7 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -129.7 | -55.7 | -177.9 | -177.1 | 64.8 | 0 | 0 | 0 | 112.8 | V199 P206 L207 F245 A249 N252 | V199-L203 WeakPolarHBondContact O-CA 3.23Å; V199-L203 VanDerWaalsContact O-CB 3.28Å; V199-L203 WeakPolarHBondContact O-CB 3.38Å; V199-L203 PolarHBondContact O-N 3.1Å; L203-P206 WeakPolarHBondContact O-CD 3.08Å; L203-P206 WeakPolarHBondContact O-CG 3.07Å; L203-L207 WeakPolarHBondContact O-CB 3.48Å; L203-L207 PolarHBondContact O-N 3.36Å; L203-L207 VanDerWaalsContact O-N 3.12Å; L203-F245 HydrophobicContact CD1-CD1 3.75Å; L203-F245 HydrophobicContact CD1-CE1 3.86Å; L203-A249 HydrophobicContact CD1-CB 3.75Å; L203-N252 HydrophobicContact CB-CB 4.24Å; L203-N252 HydrophobicContact CD2-CB 3.98Å |
| 204 | V | 95.9 | Very high | 93.7 | Very high | 75 Ų | 75 | 41.9 Ų | 41.9 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -68.5 | -49.1 | -172.1 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | V199 I200 L207 L208 | V199-V204 HydrophobicContact CG1-CG2 4.26Å; V199-V204 PolarHBondContact O-N 3.44Å; I200-V204 PolarHBondContact O-N 2.81Å; V204-L207 PolarHBondContact O-N 2.94Å; V204-L208 WeakPolarHBondContact O-CB 3.23Å; V204-L208 PolarHBondContact O-N 2.99Å |
| 205 | L | 95.4 | Very high | 93.4 | Very high | 61 Ų | 61 | 44.7 Ų | 44.7 | 32% | 0.319 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59 | -53.6 | 179 | 178.5 | 66.1 | 0 | 0 | 0 | 112.7 | F117 I120 I200 L201 L207 L208 V209 | F117-L205 HydrophobicContact CE1-CD2 4.35Å; I120-L205 HydrophobicContact CD1-CD2 3.99Å; I120-L205 HydrophobicContact CD1-CG 3.99Å; I200-L205 VanDerWaalsContact O-CB 3.24Å; I200-L205 WeakPolarHBondContact O-CB 3.45Å; I200-L205 PolarHBondContact O-N 3.45Å; L201-L205 HydrophobicContact CD2-CD2 4.25Å; L205-L207 VanDerWaalsContact C-N 3.26Å; L205-L207 PolarHBondContact O-N 3.4Å; L205-L208 PolarHBondContact O-N 3.26Å; L205-V209 WeakPolarHBondContact O-CG2 3.31Å; L205-V209 PolarHBondContact O-N 3.22Å |
| 206 | P | 93 | Very high | 93 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.6 | -32.9 | 178.2 | 23.5 | -33.4 | 0 | 0 | 0 | 112.4 | I116 I120 L201 G202 L203 V209 M210 M241 Y244 F245 | I116-P206 HydrophobicContact CD1-CB 3.57Å; I116-P206 HydrophobicContact CD1-CG 3.81Å; I116-P206 HydrophobicContact CG1-CB 4.01Å; I116-P206 HydrophobicContact CG1-CG 3.86Å; I120-P206 HydrophobicContact CD1-CB 4Å; I120-P206 HydrophobicContact CG1-CB 3.99Å; L201-P206 WeakPolarHBondContact O-CD 3.22Å; G202-P206 WeakPolarHBondContact O-CG 3.27Å; L203-P206 WeakPolarHBondContact O-CD 3.08Å; L203-P206 WeakPolarHBondContact O-CG 3.07Å; P206-V209 PolarHBondContact O-N 3.1Å; P206-M210 VanDerWaalsContact O-CB 3.27Å; P206-M210 WeakPolarHBondContact O-CB 3.23Å; P206-M210 PolarHBondContact O-N 3.28Å; P206-M241 HydrophobicContact CB-SD 4.35Å; P206-Y244 HydrophobicContact CG-CE1 4.42Å; P206-F245 HydrophobicContact CB-CE1 4.3Å; P206-F245 HydrophobicContact CB-CZ 3.9Å; P206-F245 HydrophobicContact CG-CE1 4.06Å; P206-F245 HydrophobicContact CG-CZ 4.15Å |
| 207 | L | 93.7 | Very high | 92.5 | Very high | 83 Ų | 83 | 41.7 Ų | 41.7 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.8 | -43.8 | 177 | -174.7 | 68.5 | 0 | 0 | 0 | 111.2 | L203 V204 L205 M210 V211 F245 | L203-L207 WeakPolarHBondContact O-CB 3.48Å; L203-L207 PolarHBondContact O-N 3.36Å; L203-L207 VanDerWaalsContact O-N 3.12Å; V204-L207 PolarHBondContact O-N 2.94Å; L205-L207 VanDerWaalsContact C-N 3.26Å; L205-L207 PolarHBondContact O-N 3.4Å; L207-M210 WeakPolarHBondContact O-CB 3.27Å; L207-M210 PolarHBondContact O-N 2.87Å; L207-V211 WeakPolarHBondContact O-CG2 3.48Å; L207-V211 PolarHBondContact O-N 3.42Å; L207-F245 HydrophobicContact CB-CE1 4.29Å; L207-F245 HydrophobicContact CB-CZ 4.03Å; L207-F245 HydrophobicContact CD1-CE2 4.45Å; L207-F245 HydrophobicContact CD1-CZ 4.26Å |
| 208 | L | 95.4 | Very high | 91.9 | Very high | 99 Ų | 99 | 45.6 Ų | 45.6 | 52% | 0.518 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.1 | -48 | 175.3 | -180 | 63.7 | 0 | 0 | 0 | 111.3 | V204 L205 M210 V211 I212 | V204-L208 WeakPolarHBondContact O-CB 3.23Å; V204-L208 PolarHBondContact O-N 2.99Å; L205-L208 PolarHBondContact O-N 3.26Å; L208-M210 VanDerWaalsContact C-N 3.27Å; L208-M210 PolarHBondContact O-N 3.28Å; L208-V211 PolarHBondContact O-N 2.78Å; L208-I212 HydrophobicContact CD1-CD1 3.84Å; L208-I212 HydrophobicContact CD1-CG1 4.37Å; L208-I212 HydrophobicContact CG-CD1 3.9Å; L208-I212 WeakPolarHBondContact O-CG1 3.21Å; L208-I212 PolarHBondContact O-N 3.47Å |
| 209 | V | 93.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 53 Ų | 53 | 12% | 0.121 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.6 | -43 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | I120 T123 I124 L205 P206 C213 | I120-V209 HydrophobicContact CG2-CG1 4.22Å; I120-V209 HydrophobicContact CG2-CG2 4.05Å; T123-V209 HydrophobicContact CG2-CG1 4.04Å; I124-V209 HydrophobicContact CG1-CG1 4.15Å; L205-V209 WeakPolarHBondContact O-CG2 3.31Å; L205-V209 PolarHBondContact O-N 3.22Å; P206-V209 PolarHBondContact O-N 3.1Å; V209-C213 WeakPolarHBondContact O-CB 3.29Å; V209-C213 PolarHBondContact O-N 3.34Å; V209-C213 PolarHBondContact O-SG 2.91Å |
| 210 | M | 89.6 | Confident | 90.7 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.2 | -52 | 178.4 | -174.9 | -171.1 | 176.8 | 0 | 0 | 111.1 | P206 L207 L208 I212 C213 Y214 F238 M241 I242 F245 | P206-M210 VanDerWaalsContact O-CB 3.27Å; P206-M210 WeakPolarHBondContact O-CB 3.23Å; P206-M210 PolarHBondContact O-N 3.28Å; L207-M210 WeakPolarHBondContact O-CB 3.27Å; L207-M210 PolarHBondContact O-N 2.87Å; L208-M210 VanDerWaalsContact C-N 3.27Å; L208-M210 PolarHBondContact O-N 3.28Å; M210-I212 VanDerWaalsContact C-N 3.34Å; M210-I212 PolarHBondContact O-N 3.42Å; M210-C213 PolarHBondContact O-N 2.97Å; M210-Y214 HydrophobicContact CB-CD2 4.33Å; M210-Y214 HydrophobicContact CG-CD2 3.54Å; M210-Y214 HydrophobicContact CG-CE2 3.95Å; M210-Y214 WeakPolarHBondContact O-CB 3.46Å; M210-Y214 VanDerWaalsContact O-CD2 3.3Å; M210-Y214 WeakPolarHBondContact O-CD2 3.38Å; M210-Y214 PolarHBondContact O-N 3.27Å; M210-F238 HydrophobicContact CE-CD2 4.1Å; M210-F238 HydrophobicContact CE-CE2 3.49Å; M210-F238 VanDerWaalsContact CE-CE2 3.49Å; M210-F238 HydrophobicContact CE-CZ 4.24Å; M210-M241 HydrophobicContact CB-CG 4.39Å; M210-M241 HydrophobicContact CG-CG 4.11Å; M210-M241 HydrophobicContact SD-CG 3.9Å; M210-I242 HydrophobicContact CE-CD1 3.33Å; M210-I242 HydrophobicContact CE-CG1 4.23Å; M210-I242 HydrophobicContact SD-CD1 4.45Å; M210-F245 HydrophobicContact SD-CD2 4.09Å; M210-F245 HydrophobicContact SD-CE2 3.56Å; M210-F245 VanDerWaalsContact SD-CE2 3.56Å |
| 211 | V | 91.6 | Very high | 89.7 | Confident | 85 Ų | 85 | 50.8 Ų | 50.8 | 52% | 0.515 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | -179 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | L207 L208 S215 | L207-V211 WeakPolarHBondContact O-CG2 3.48Å; L207-V211 PolarHBondContact O-N 3.42Å; L208-V211 PolarHBondContact O-N 2.78Å; V211-S215 WeakPolarHBondContact O-CB 3.47Å; V211-S215 PolarHBondContact O-N 3.17Å; V211-S215 PolarHBondContact O-OG 3.26Å |
| 212 | I | 92.8 | Very high | 88.8 | Confident | 96 Ų | 96 | 55.3 Ų | 55.3 | 49% | 0.492 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.7 | -51.9 | -179.2 | -64.7 | 168.8 | 0 | 0 | 0 | 110.8 | L208 M210 G216 | L208-I212 HydrophobicContact CD1-CD1 3.84Å; L208-I212 HydrophobicContact CD1-CG1 4.37Å; L208-I212 HydrophobicContact CG-CD1 3.9Å; L208-I212 WeakPolarHBondContact O-CG1 3.21Å; L208-I212 PolarHBondContact O-N 3.47Å; M210-I212 VanDerWaalsContact C-N 3.34Å; M210-I212 PolarHBondContact O-N 3.42Å; I212-G216 PolarHBondContact O-N 3.48Å |
| 213 | C | 90.3 | Very high | 88 | Confident | 8 Ų | 8 | 66 Ų | 66 | 5% | 0.054 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.6 | -46.1 | -173.5 | -68.2 | 0 | 0 | 0 | 0 | 111.8 | T123 Y127 V209 M210 G216 I217 | T123-C213 HydrophobicContact CG2-CB 3.67Å; Y127-C213 VanDerWaalsContact CD2-CA 3.48Å; Y127-C213 HydrophobicContact CD2-CB 3.86Å; Y127-C213 VanDerWaalsContact CD2-O 3.3Å; Y127-C213 WeakPolarHBondContact CD2-O 3.36Å; Y127-C213 HydrophobicContact CG-CB 4.11Å; V209-C213 WeakPolarHBondContact O-CB 3.29Å; V209-C213 PolarHBondContact O-N 3.34Å; V209-C213 PolarHBondContact O-SG 2.91Å; M210-C213 PolarHBondContact O-N 2.97Å; C213-G216 PolarHBondContact O-N 3.44Å; C213-I217 VanDerWaalsContact O-CG1 3.25Å; C213-I217 WeakPolarHBondContact O-CG1 3.28Å; C213-I217 PolarHBondContact O-N 3.12Å |
| 214 | Y | 86.1 | Confident | 86.6 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 11% | 0.114 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.4 | -32.3 | -177 | -77.5 | -77.8 | 0 | 0 | 0 | 112.8 | T123 M210 G216 I217 L218 V234 I237 F238 | T123-Y214 HydrophobicContact CG2-CE2 3.94Å; M210-Y214 HydrophobicContact CB-CD2 4.33Å; M210-Y214 HydrophobicContact CG-CD2 3.54Å; M210-Y214 HydrophobicContact CG-CE2 3.95Å; M210-Y214 WeakPolarHBondContact O-CB 3.46Å; M210-Y214 VanDerWaalsContact O-CD2 3.3Å; M210-Y214 WeakPolarHBondContact O-CD2 3.38Å; M210-Y214 PolarHBondContact O-N 3.27Å; Y214-G216 PolarHBondContact O-N 3.18Å; Y214-I217 HydrophobicContact CD1-CD1 4.29Å; Y214-I217 HydrophobicContact CE1-CD1 4.37Å; Y214-I217 PolarHBondContact O-N 3.11Å; Y214-L218 VanDerWaalsContact O-CB 3.24Å; Y214-L218 WeakPolarHBondContact O-CB 3.34Å; Y214-L218 PolarHBondContact O-N 3.47Å; Y214-V234 HydrophobicContact CE1-CG1 4.12Å; Y214-I237 PolarHBondContact OH-O 2.96Å; Y214-F238 AromaticContact CD1-CD2 3.74Å; Y214-F238 HydrophobicContact CD1-CD2 3.74Å; Y214-F238 HydrophobicContact CD1-CE2 4.44Å; Y214-F238 HydrophobicContact CD2-CD2 4.33Å; Y214-F238 HydrophobicContact CE1-CB 3.68Å; Y214-F238 AromaticContact CE1-CD2 3.51Å; Y214-F238 HydrophobicContact CE1-CD2 3.51Å; Y214-F238 HydrophobicContact CE1-CG 4.04Å; Y214-F238 HydrophobicContact CE2-CD2 4.13Å; Y214-F238 HydrophobicContact CG-CD2 4.15Å; Y214-F238 AromaticContact CZ-CD2 3.73Å; Y214-F238 WeakPolarHBondContact OH-CA 3.29Å; Y214-F238 PolarHBondContact OH-N 3.39Å |
| 215 | S | 87.4 | Confident | 85 | Confident | 74 Ų | 74 | 74.6 Ų | 74.6 | 52% | 0.517 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 170.4 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | V211 K219 | V211-S215 WeakPolarHBondContact O-CB 3.47Å; V211-S215 PolarHBondContact O-N 3.17Å; V211-S215 PolarHBondContact O-OG 3.26Å; S215-K219 WeakPolarHBondContact O-CB 3.29Å; S215-K219 PolarHBondContact O-N 2.82Å |
| 216 | G | 86.4 | Confident | 83.1 | Confident | 15 Ų | 15 | 78.3 Ų | 78.3 | 16% | 0.155 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.4 | -38.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | I212 C213 Y214 T220 | I212-G216 PolarHBondContact O-N 3.48Å; C213-G216 PolarHBondContact O-N 3.44Å; Y214-G216 PolarHBondContact O-N 3.18Å; G216-T220 WeakPolarHBondContact O-CB 3.43Å; G216-T220 PolarHBondContact O-N 3.32Å; G216-T220 VanDerWaalsContact O-N 3.11Å; G216-T220 PolarHBondContact O-OG1 3.44Å |
| 217 | I | 85 | Confident | 81.8 | Confident | 3 Ų | 3 | 83.9 Ų | 83.9 | 2% | 0.015 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.4 | -49.7 | 174.1 | -70.8 | 164.5 | 0 | 0 | 0 | 110.1 | Y127 V130 V131 C213 Y214 K219 T220 L221 V234 | Y127-I217 HydrophobicContact CD2-CG1 4.13Å; V130-I217 HydrophobicContact CB-CG1 4.4Å; V130-I217 HydrophobicContact CG1-CG1 4.4Å; V130-I217 HydrophobicContact CG1-CG2 4.3Å; V131-I217 HydrophobicContact CG2-CG1 4.26Å; C213-I217 VanDerWaalsContact O-CG1 3.25Å; C213-I217 WeakPolarHBondContact O-CG1 3.28Å; C213-I217 PolarHBondContact O-N 3.12Å; Y214-I217 HydrophobicContact CD1-CD1 4.29Å; Y214-I217 HydrophobicContact CE1-CD1 4.37Å; Y214-I217 PolarHBondContact O-N 3.11Å; I217-K219 PolarHBondContact O-N 2.93Å; I217-T220 PolarHBondContact O-N 3.25Å; I217-T220 VanDerWaalsContact O-N 3.14Å; I217-L221 HydrophobicContact CG2-CD1 3.72Å; I217-L221 HydrophobicContact CG2-CG 4.03Å; I217-L221 WeakPolarHBondContact O-CB 3.33Å; I217-L221 VanDerWaalsContact O-CG 3.3Å; I217-L221 WeakPolarHBondContact O-CG 3.36Å; I217-L221 PolarHBondContact O-N 3.48Å; I217-V234 HydrophobicContact CG2-CB 4.46Å; I217-V234 HydrophobicContact CG2-CG1 3.72Å; I217-V234 HydrophobicContact CG2-CG2 3.84Å |
| 218 | L | 83.3 | Confident | 80.4 | Confident | 103 Ų | 103 | 88.1 Ų | 88.1 | 54% | 0.539 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | -178.4 | -173.8 | 62 | 0 | 0 | 0 | 111.1 | Y214 T220 L221 L222 | Y214-L218 VanDerWaalsContact O-CB 3.24Å; Y214-L218 WeakPolarHBondContact O-CB 3.34Å; Y214-L218 PolarHBondContact O-N 3.47Å; L218-T220 VanDerWaalsContact C-N 3.27Å; L218-T220 PolarHBondContact O-N 3.48Å; L218-L221 PolarHBondContact O-N 3.26Å; L218-L222 HydrophobicContact CD1-CD1 4.46Å; L218-L222 HydrophobicContact CD1-CG 4.38Å; L218-L222 HydrophobicContact CG-CD1 4.1Å; L218-L222 HydrophobicContact CG-CG 4.46Å; L218-L222 WeakPolarHBondContact O-CB 3.21Å; L218-L222 VanDerWaalsContact O-CG 3.28Å; L218-L222 WeakPolarHBondContact O-CG 3.44Å; L218-L222 PolarHBondContact O-N 3.27Å |
| 219 | K | 85 | Confident | 78.7 | Confident | 164 Ų | 164 | 91 Ų | 91 | 71% | 0.713 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -55.9 | -41.8 | 174.8 | -172.3 | 176.3 | -178.1 | 176.8 | 0 | 112.3 | S215 I217 R223 | S215-K219 WeakPolarHBondContact O-CB 3.29Å; S215-K219 PolarHBondContact O-N 2.82Å; I217-K219 PolarHBondContact O-N 2.93Å; K219-R223 PolarHBondContact O-N 3.05Å |
| 220 | T | 79.7 | Confident | 77.4 | Confident | 33 Ų | 33 | 92.5 Ų | 92.5 | 20% | 0.202 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -76.1 | -32.6 | -179.7 | -53 | 0 | 0 | 0 | 0 | 112.7 | V130 G216 I217 L218 C224 R230 | V130-T220 HydrophobicContact CG1-CG2 4.25Å; G216-T220 WeakPolarHBondContact O-CB 3.43Å; G216-T220 PolarHBondContact O-N 3.32Å; G216-T220 VanDerWaalsContact O-N 3.11Å; G216-T220 PolarHBondContact O-OG1 3.44Å; I217-T220 PolarHBondContact O-N 3.25Å; I217-T220 VanDerWaalsContact O-N 3.14Å; L218-T220 VanDerWaalsContact C-N 3.27Å; L218-T220 PolarHBondContact O-N 3.48Å; T220-C224 PolarHBondContact O-N 3.04Å; T220-R230 PolarHBondContact O-NH2 2.93Å |
| 221 | L | 75.9 | Confident | 76.4 | Confident | 21 Ų | 21 | 95.1 Ų | 95.1 | 11% | 0.11 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -69.4 | -41.6 | 174.7 | -72.6 | -178.6 | 0 | 0 | 0 | 111.7 | I217 L218 R223 C224 R230 V234 | I217-L221 HydrophobicContact CG2-CD1 3.72Å; I217-L221 HydrophobicContact CG2-CG 4.03Å; I217-L221 WeakPolarHBondContact O-CB 3.33Å; I217-L221 VanDerWaalsContact O-CG 3.3Å; I217-L221 WeakPolarHBondContact O-CG 3.36Å; I217-L221 PolarHBondContact O-N 3.48Å; L218-L221 PolarHBondContact O-N 3.26Å; L221-R223 VanDerWaalsContact C-N 3.28Å; L221-R223 PolarHBondContact O-N 2.86Å; L221-C224 CarbonylContact O-C 3.06Å; L221-C224 PolarHBondContact O-N 3.15Å; L221-R230 HydrophobicContact CD2-CG 4.15Å; L221-R230 VanDerWaalsContact CD2-NE 3.35Å; L221-V234 HydrophobicContact CD1-CG1 4.33Å |
| 222 | L | 77.1 | Confident | 75.3 | Confident | 138 Ų | 138 | 97 Ų | 97 | 72% | 0.723 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.9 | -34.2 | 176.1 | -69.6 | 171.1 | 0 | 0 | 0 | 112 | L218 | L218-L222 HydrophobicContact CD1-CD1 4.46Å; L218-L222 HydrophobicContact CD1-CG 4.38Å; L218-L222 HydrophobicContact CG-CD1 4.1Å; L218-L222 HydrophobicContact CG-CG 4.46Å; L218-L222 WeakPolarHBondContact O-CB 3.21Å; L218-L222 VanDerWaalsContact O-CG 3.28Å; L218-L222 WeakPolarHBondContact O-CG 3.44Å; L218-L222 PolarHBondContact O-N 3.27Å |
| 223 | R | 76.2 | Confident | 74.1 | Confident | 225 Ų | 225 | 94.1 Ų | 94.1 | 85% | 0.849 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -77.6 | -29.5 | 179.3 | -165.6 | 173.8 | -178.7 | -176.5 | 0.9 | 114 | K219 L221 | K219-R223 PolarHBondContact O-N 3.05Å; L221-R223 VanDerWaalsContact C-N 3.28Å; L221-R223 PolarHBondContact O-N 2.86Å |
| 224 | C | 65.8 | Low | 73.3 | Confident | 62 Ų | 62 | 94.5 Ų | 94.5 | 42% | 0.419 | 45% | 0.445 | S | S | . | . | trans | -123.9 | 93.8 | -177.9 | -51.6 | 0 | 0 | 0 | 0 | 110.7 | T220 L221 N226 R230 | T220-C224 PolarHBondContact O-N 3.04Å; L221-C224 CarbonylContact O-C 3.06Å; L221-C224 PolarHBondContact O-N 3.15Å; C224-N226 PolarHBondContact O-N 3.01Å; C224-R230 PolarHBondContact O-NH2 3.38Å | ||
| 225 | R | 61.3 | Low | 72.9 | Confident | 222 Ų | 222 | 99.5 Ų | 99.5 | 84% | 0.838 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -8.7 | -169.2 | -176.2 | 168.8 | 157.7 | 170.3 | -6.3 | 115.9 | ||
| 226 | N | 56 | Low | 72.5 | Confident | 139 Ų | 139 | 97.4 Ų | 97.4 | 74% | 0.743 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 4.5 | -159 | -72.4 | -5.8 | 0 | 0 | 0 | 117.9 | C224 | C224-N226 PolarHBondContact O-N 3.01Š|
| 227 | E | 64.9 | Low | 72 | Confident | 118 Ų | 118 | 97 Ų | 97 | 55% | 0.551 | 44% | 0.441 | S | S | * | . | trans | -114.5 | 83 | -172.9 | -71.9 | -63.2 | 158.3 | 0 | 0 | 114.5 | K229 R230 H231 | E227-K229 PolarHBondContact O-N 2.03Å; E227-K229 VanDerWaalsContact O-N 3.1Å; E227-R230 HydrophobicContact CB-CB 4.02Å; E227-R230 WeakPolarHBondContact O-CB 3.22Å; E227-R230 PolarHBondContact O-N 2.94Å; E227-H231 PolarHBondContact O-CD2 3.47Å | ||
| 228 | K | 63.8 | Low | 71.9 | Confident | 172 Ų | 172 | 101 Ų | 101 | 75% | 0.748 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -51.8 | -34.5 | 179.4 | -70.2 | -179.1 | -179.4 | 175.9 | 0 | 113.8 | R230 | K228-R230 VanDerWaalsContact C-N 3.35Å; K228-R230 PolarHBondContact O-N 2.88Å |
| 229 | K | 60.1 | Low | 72.1 | Confident | 159 Ų | 159 | 98 Ų | 98 | 69% | 0.691 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.9 | -30.4 | -179 | -163.1 | 175.3 | -176.9 | 177.4 | 0 | 112.6 | E227 | E227-K229 PolarHBondContact O-N 2.03Å; E227-K229 VanDerWaalsContact O-N 3.1Å |
| 230 | R | 66.2 | Low | 72.2 | Confident | 51 Ų | 51 | 90.2 Ų | 90.2 | 19% | 0.192 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70 | -41.9 | 178.2 | -168.1 | 170.8 | 67.1 | 158.5 | 5.7 | 111.4 | V130 T220 L221 C224 E227 K228 R232 A233 V234 | V130-R230 HydrophobicContact CG2-CG 3.95Å; T220-R230 PolarHBondContact O-NH2 2.93Å; L221-R230 HydrophobicContact CD2-CG 4.15Å; L221-R230 VanDerWaalsContact CD2-NE 3.35Å; C224-R230 PolarHBondContact O-NH2 3.38Å; E227-R230 HydrophobicContact CB-CB 4.02Å; E227-R230 WeakPolarHBondContact O-CB 3.22Å; E227-R230 PolarHBondContact O-N 2.94Å; K228-R230 VanDerWaalsContact C-N 3.35Å; K228-R230 PolarHBondContact O-N 2.88Å; R230-R232 VanDerWaalsContact C-N 3.32Å; R230-R232 PolarHBondContact O-N 2.95Å; R230-A233 PolarHBondContact O-N 2.87Å; R230-V234 WeakPolarHBondContact O-CG2 3.29Å; R230-V234 PolarHBondContact O-N 3.12Å |
| 231 | H | 68.9 | Low | 72.5 | Confident | 81 Ų | 81 | 88.7 Ų | 88.7 | 38% | 0.375 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 176.9 | -67.3 | -79.2 | 0 | 0 | 0 | 112.9 | E227 V234 R235 | E227-H231 PolarHBondContact O-CD2 3.47Å; H231-V234 PolarHBondContact O-N 2.71Å; H231-R235 WeakPolarHBondContact O-CB 3.3Å; H231-R235 PolarHBondContact O-N 3Å |
| 232 | R | 69.4 | Low | 73.3 | Confident | 125 Ų | 125 | 90.5 Ų | 90.5 | 47% | 0.472 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | -179.2 | -68.2 | -178.2 | -174.6 | 174.3 | 0.7 | 113 | R230 R235 L236 E302 | R230-R232 VanDerWaalsContact C-N 3.32Å; R230-R232 PolarHBondContact O-N 2.95Å; R232-R235 PolarHBondContact O-N 3.37Å; R232-L236 PolarHBondContact O-N 3.07Å; R232-L236 VanDerWaalsContact O-N 3.14Å; R232-E302 WeakPolarHBondContact CD-OE2 3.5Å; R232-E302 IonicContact CZ-OE1 3.45Å; R232-E302 VanDerWaalsContact CZ-OE1 3.29Å; R232-E302 IonicContact CZ-OE2 3.44Å; R232-E302 IonicContact NE-OE1 2.83Å; R232-E302 PolarHBondContact NE-OE1 3.45Å; R232-E302 IonicContact NE-OE2 3.95Å; R232-E302 VanDerWaalsContact NH1-CD 3.35Å; R232-E302 IonicContact NH1-OE1 3.37Å; R232-E302 PolarHBondContact NH1-OE1 2.94Å; R232-E302 IonicContact NH1-OE2 3.94Å; R232-E302 PolarHBondContact NH1-OE2 3.09Å; R232-E302 IonicContact NH2-OE1 2.6Å |
| 233 | A | 66.4 | Low | 74 | Confident | 35 Ų | 35 | 85 Ų | 85 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.7 | -37.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R230 L236 I237 | R230-A233 PolarHBondContact O-N 2.87Å; A233-L236 PolarHBondContact O-N 3.44Å; A233-I237 PolarHBondContact O-N 3.27Å |
| 234 | V | 73.8 | Confident | 74.8 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | V130 Y214 I217 L221 R230 H231 L236 I237 F238 | V130-V234 HydrophobicContact CG2-CG2 4.1Å; Y214-V234 HydrophobicContact CE1-CG1 4.12Å; I217-V234 HydrophobicContact CG2-CB 4.46Å; I217-V234 HydrophobicContact CG2-CG1 3.72Å; I217-V234 HydrophobicContact CG2-CG2 3.84Å; L221-V234 HydrophobicContact CD1-CG1 4.33Å; R230-V234 WeakPolarHBondContact O-CG2 3.29Å; R230-V234 PolarHBondContact O-N 3.12Å; H231-V234 PolarHBondContact O-N 2.71Å; V234-L236 PolarHBondContact O-N 3.33Å; V234-I237 PolarHBondContact O-N 3.2Å; V234-F238 VanDerWaalsContact O-CB 3.29Å; V234-F238 WeakPolarHBondContact O-CB 3.49Å; V234-F238 PolarHBondContact O-N 2.85Å |
| 235 | R | 78.9 | Confident | 76.1 | Confident | 134 Ų | 134 | 72.7 Ų | 72.7 | 51% | 0.506 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 177.2 | -171.6 | 177.1 | 70.2 | -176.1 | 3.8 | 111.9 | H231 R232 F238 T239 | H231-R235 WeakPolarHBondContact O-CB 3.3Å; H231-R235 PolarHBondContact O-N 3Å; R232-R235 PolarHBondContact O-N 3.37Å; R235-F238 PolarHBondContact O-N 2.87Å; R235-T239 PolarHBondContact O-N 2.94Å; R235-T239 PolarHBondContact O-OG1 3.13Å |
| 236 | L | 77.4 | Confident | 77.7 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 16% | 0.162 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.6 | -52.8 | 179 | 178.9 | 65.5 | 0 | 0 | 0 | 112 | R232 A233 V234 F238 T239 I240 I296 Y297 V300 | R232-L236 PolarHBondContact O-N 3.07Å; R232-L236 VanDerWaalsContact O-N 3.14Å; A233-L236 PolarHBondContact O-N 3.44Å; V234-L236 PolarHBondContact O-N 3.33Å; L236-F238 VanDerWaalsContact C-N 3.31Å; L236-F238 PolarHBondContact O-N 2.91Å; L236-T239 PolarHBondContact O-N 2.89Å; L236-I240 HydrophobicContact CD1-CD1 4.44Å; L236-I240 HydrophobicContact CG-CD1 4.2Å; L236-I240 WeakPolarHBondContact O-CG1 3.22Å; L236-I240 PolarHBondContact O-N 2.99Å; L236-I296 HydrophobicContact CD1-CG2 3.87Å; L236-Y297 HydrophobicContact CD1-CD1 4.37Å; L236-V300 HydrophobicContact CB-CG1 4.21Å; L236-V300 HydrophobicContact CD1-CB 3.73Å; L236-V300 HydrophobicContact CD1-CG1 3.74Å |
| 237 | I | 77.7 | Confident | 79.6 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.6 | -33.8 | -177.4 | -57.6 | -47.7 | 0 | 0 | 0 | 111.4 | L122 R126 Y214 A233 V234 I240 M241 | L122-I237 HydrophobicContact CB-CD1 4.43Å; R126-I237 HydrophobicContact CG-CB 4.11Å; R126-I237 HydrophobicContact CG-CG1 3.45Å; R126-I237 VanDerWaalsContact CG-CG1 3.45Å; R126-I237 HydrophobicContact CG-CG2 4.37Å; Y214-I237 PolarHBondContact OH-O 2.96Å; A233-I237 PolarHBondContact O-N 3.27Å; V234-I237 PolarHBondContact O-N 3.2Å; I237-I240 HydrophobicContact CD1-CD1 3.77Å; I237-I240 PolarHBondContact O-N 3.46Å; I237-M241 PolarHBondContact O-N 3.47Å |
| 238 | F | 83 | Confident | 81 | Confident | 86 Ų | 86 | 57.6 Ų | 57.6 | 38% | 0.377 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 174.2 | -175.3 | -103 | 0 | 0 | 0 | 111.4 | M210 Y214 V234 R235 L236 I240 M241 I242 | M210-F238 HydrophobicContact CE-CD2 4.1Å; M210-F238 HydrophobicContact CE-CE2 3.49Å; M210-F238 VanDerWaalsContact CE-CE2 3.49Å; M210-F238 HydrophobicContact CE-CZ 4.24Å; Y214-F238 AromaticContact CD1-CD2 3.74Å; Y214-F238 HydrophobicContact CD1-CD2 3.74Å; Y214-F238 HydrophobicContact CD1-CE2 4.44Å; Y214-F238 HydrophobicContact CD2-CD2 4.33Å; Y214-F238 HydrophobicContact CE1-CB 3.68Å; Y214-F238 AromaticContact CE1-CD2 3.51Å; Y214-F238 HydrophobicContact CE1-CD2 3.51Å; Y214-F238 HydrophobicContact CE1-CG 4.04Å; Y214-F238 HydrophobicContact CE2-CD2 4.13Å; Y214-F238 HydrophobicContact CG-CD2 4.15Å; Y214-F238 AromaticContact CZ-CD2 3.73Å; Y214-F238 WeakPolarHBondContact OH-CA 3.29Å; Y214-F238 PolarHBondContact OH-N 3.39Å; V234-F238 VanDerWaalsContact O-CB 3.29Å; V234-F238 WeakPolarHBondContact O-CB 3.49Å; V234-F238 PolarHBondContact O-N 2.85Å; R235-F238 PolarHBondContact O-N 2.87Å; L236-F238 VanDerWaalsContact C-N 3.31Å; L236-F238 PolarHBondContact O-N 2.91Å; F238-I240 PolarHBondContact O-N 3.29Å; F238-M241 PolarHBondContact O-N 3.42Å; F238-I242 HydrophobicContact CD1-CG1 4.09Å; F238-I242 HydrophobicContact CD2-CG1 4.47Å; F238-I242 HydrophobicContact CE1-CD1 4.32Å; F238-I242 HydrophobicContact CE1-CG1 3.73Å; F238-I242 HydrophobicContact CE2-CD1 4.17Å; F238-I242 HydrophobicContact CE2-CG1 4.17Å; F238-I242 HydrophobicContact CG-CG1 4.46Å; F238-I242 HydrophobicContact CZ-CD1 3.87Å; F238-I242 HydrophobicContact CZ-CG1 3.78Å; F238-I242 WeakPolarHBondContact O-CG1 3.34Å; F238-I242 PolarHBondContact O-N 3.34Å |
| 239 | T | 87.4 | Confident | 82.4 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 24% | 0.239 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | R235 L236 M241 I242 V243 I296 V300 | R235-T239 PolarHBondContact O-N 2.94Å; R235-T239 PolarHBondContact O-OG1 3.13Å; L236-T239 PolarHBondContact O-N 2.89Å; T239-M241 VanDerWaalsContact C-N 3.32Å; T239-M241 PolarHBondContact O-N 2.86Å; T239-I242 PolarHBondContact O-N 3.46Å; T239-V243 HydrophobicContact CG2-CG2 4.22Å; T239-V243 WeakPolarHBondContact O-CB 3.47Å; T239-V243 VanDerWaalsContact O-CG2 3.25Å; T239-V243 WeakPolarHBondContact O-CG2 3.45Å; T239-V243 PolarHBondContact O-N 3.33Å; T239-I296 HydrophobicContact CG2-CG2 4.14Å; T239-V300 HydrophobicContact CG2-CG2 4.33Å |
| 240 | I | 86.3 | Confident | 84.1 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.7 | -46.4 | 177.6 | -63.6 | 164.1 | 0 | 0 | 0 | 110.7 | I119 L236 I237 F238 V243 Y244 I296 Y297 | I119-I240 HydrophobicContact CD1-CG2 4.18Å; I119-I240 HydrophobicContact CG1-CG2 4.11Å; I119-I240 HydrophobicContact CG2-CG2 4.45Å; L236-I240 HydrophobicContact CD1-CD1 4.44Å; L236-I240 HydrophobicContact CG-CD1 4.2Å; L236-I240 WeakPolarHBondContact O-CG1 3.22Å; L236-I240 PolarHBondContact O-N 2.99Å; I237-I240 HydrophobicContact CD1-CD1 3.77Å; I237-I240 PolarHBondContact O-N 3.46Å; F238-I240 PolarHBondContact O-N 3.29Å; I240-V243 PolarHBondContact O-N 2.8Å; I240-Y244 PolarHBondContact O-N 3.29Å; I240-I296 HydrophobicContact CG1-CD1 4.34Å; I240-I296 HydrophobicContact CG1-CG2 3.86Å; I240-Y297 HydrophobicContact CD1-CE1 3.67Å; I240-Y297 HydrophobicContact CG1-CE1 4.3Å |
| 241 | M | 86.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.9 | -44.3 | -178.7 | -172.4 | 67 | 77 | 0 | 0 | 112.6 | I119 T123 P206 M210 I237 F238 T239 Y244 F245 | I119-M241 HydrophobicContact CG2-CE 3.48Å; I119-M241 VanDerWaalsContact CG2-CE 3.48Å; I119-M241 HydrophobicContact CG2-SD 3.75Å; T123-M241 HydrophobicContact CG2-CE 4.44Å; T123-M241 WeakPolarHBondContact OG1-CE 3.41Å; P206-M241 HydrophobicContact CB-SD 4.35Å; M210-M241 HydrophobicContact CB-CG 4.39Å; M210-M241 HydrophobicContact CG-CG 4.11Å; M210-M241 HydrophobicContact SD-CG 3.9Å; I237-M241 PolarHBondContact O-N 3.47Å; F238-M241 PolarHBondContact O-N 3.42Å; T239-M241 VanDerWaalsContact C-N 3.32Å; T239-M241 PolarHBondContact O-N 2.86Å; M241-Y244 WeakPolarHBondContact O-CB 3.44Å; M241-Y244 PolarHBondContact O-N 3.34Å; M241-F245 HydrophobicContact CG-CD2 4.09Å; M241-F245 HydrophobicContact CG-CE2 3.58Å; M241-F245 WeakPolarHBondContact O-CD2 3.4Å; M241-F245 PolarHBondContact O-N 2.87Å; M241-F245 VanDerWaalsContact O-N 3.14Å; M241-F245 HydrophobicContact SD-CD2 4.46Å; M241-F245 HydrophobicContact SD-CE2 3.68Å; M241-F245 HydrophobicContact SD-CZ 4.08Å |
| 242 | I | 91.2 | Very high | 86.7 | Confident | 59 Ų | 59 | 39.5 Ų | 39.5 | 30% | 0.303 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.8 | -66.2 | -62.7 | 0 | 0 | 0 | 110.9 | M210 F238 T239 Y244 F245 L246 | M210-I242 HydrophobicContact CE-CD1 3.33Å; M210-I242 HydrophobicContact CE-CG1 4.23Å; M210-I242 HydrophobicContact SD-CD1 4.45Å; F238-I242 HydrophobicContact CD1-CG1 4.09Å; F238-I242 HydrophobicContact CD2-CG1 4.47Å; F238-I242 HydrophobicContact CE1-CD1 4.32Å; F238-I242 HydrophobicContact CE1-CG1 3.73Å; F238-I242 HydrophobicContact CE2-CD1 4.17Å; F238-I242 HydrophobicContact CE2-CG1 4.17Å; F238-I242 HydrophobicContact CG-CG1 4.46Å; F238-I242 HydrophobicContact CZ-CD1 3.87Å; F238-I242 HydrophobicContact CZ-CG1 3.78Å; F238-I242 WeakPolarHBondContact O-CG1 3.34Å; F238-I242 PolarHBondContact O-N 3.34Å; T239-I242 PolarHBondContact O-N 3.46Å; I242-Y244 VanDerWaalsContact C-N 3.3Å; I242-Y244 PolarHBondContact O-N 3.06Å; I242-F245 PolarHBondContact O-N 3.25Å; I242-F245 VanDerWaalsContact O-N 3.17Å; I242-L246 HydrophobicContact CG2-CD1 3.98Å; I242-L246 HydrophobicContact CG2-CG 4.26Å; I242-L246 WeakPolarHBondContact O-CG 3.24Å; I242-L246 PolarHBondContact O-N 2.94Å |
| 243 | V | 93.4 | Very high | 87.9 | Confident | 23 Ų | 23 | 38 Ų | 38 | 14% | 0.139 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 178.1 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | T239 I240 F245 L246 F247 I292 I296 | T239-V243 HydrophobicContact CG2-CG2 4.22Å; T239-V243 WeakPolarHBondContact O-CB 3.47Å; T239-V243 VanDerWaalsContact O-CG2 3.25Å; T239-V243 WeakPolarHBondContact O-CG2 3.45Å; T239-V243 PolarHBondContact O-N 3.33Å; I240-V243 PolarHBondContact O-N 2.8Å; V243-F245 VanDerWaalsContact C-N 3.35Å; V243-F245 PolarHBondContact O-N 2.92Å; V243-L246 PolarHBondContact O-N 2.9Å; V243-F247 HydrophobicContact CG1-CD2 3.88Å; V243-F247 HydrophobicContact CG1-CE2 3.89Å; V243-F247 WeakPolarHBondContact O-CD2 3.33Å; V243-F247 PolarHBondContact O-N 3.46Å; V243-F247 VanDerWaalsContact O-N 3.12Å; V243-I292 HydrophobicContact CG1-CB 4.43Å; V243-I292 HydrophobicContact CG1-CG2 3.71Å; V243-I296 HydrophobicContact CB-CD1 3.96Å; V243-I296 HydrophobicContact CG1-CD1 4Å; V243-I296 HydrophobicContact CG2-CD1 4.01Å |
| 244 | Y | 92.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.1 | -49.6 | 172.4 | 173.7 | -90.7 | 0 | 0 | 0 | 111.9 | I116 I119 G202 P206 I240 M241 I242 L246 F247 W248 H289 | I116-Y244 HydrophobicContact CB-CE2 4.07Å; I116-Y244 HydrophobicContact CD1-CD1 3.75Å; I116-Y244 HydrophobicContact CD1-CD2 4.14Å; I116-Y244 HydrophobicContact CD1-CE1 3.35Å; I116-Y244 HydrophobicContact CD1-CE2 3.77Å; I116-Y244 HydrophobicContact CD1-CG 4.13Å; I116-Y244 HydrophobicContact CG1-CE1 4.04Å; I116-Y244 HydrophobicContact CG1-CE2 4.22Å; I119-Y244 HydrophobicContact CD1-CD2 3.92Å; I119-Y244 HydrophobicContact CD1-CG 4.25Å; G202-Y244 VanDerWaalsContact O-CE1 3.27Å; G202-Y244 WeakPolarHBondContact O-CE1 3.35Å; G202-Y244 PolarHBondContact O-OH 3.1Å; P206-Y244 HydrophobicContact CG-CE1 4.42Å; I240-Y244 PolarHBondContact O-N 3.29Å; M241-Y244 WeakPolarHBondContact O-CB 3.44Å; M241-Y244 PolarHBondContact O-N 3.34Å; I242-Y244 VanDerWaalsContact C-N 3.3Å; I242-Y244 PolarHBondContact O-N 3.06Å; Y244-L246 PolarHBondContact O-N 3.42Å; Y244-F247 PolarHBondContact O-N 3.16Å; Y244-W248 AromaticContact CD2-CD1 3.48Å; Y244-W248 VanDerWaalsContact CD2-CD1 3.48Å; Y244-W248 HydrophobicContact CD2-CG 4.27Å; Y244-W248 HydrophobicContact CE1-CB 4.26Å; Y244-W248 HydrophobicContact CE2-CB 4.15Å; Y244-W248 AromaticContact CE2-CD1 3.34Å; Y244-W248 AromaticContact CE2-CG 3.81Å; Y244-W248 HydrophobicContact CE2-CG 3.81Å; Y244-W248 AromaticContact CE2-NE1 3.96Å; Y244-W248 WeakPolarHBondContact O-CB 3.16Å; Y244-W248 PolarHBondContact O-N 2.85Å; Y244-H289 WeakPolarHBondContact CA-NE2 3.48Å; Y244-H289 AromaticContact CD2-CE1 3.85Å; Y244-H289 AromaticContact CD2-NE2 3.94Å |
| 245 | F | 93.6 | Very high | 90.1 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 178.8 | -71.3 | -58.2 | 0 | 0 | 0 | 113.1 | L203 P206 L207 M210 M241 I242 V243 F247 A249 | L203-F245 HydrophobicContact CD1-CD1 3.75Å; L203-F245 HydrophobicContact CD1-CE1 3.86Å; P206-F245 HydrophobicContact CB-CE1 4.3Å; P206-F245 HydrophobicContact CB-CZ 3.9Å; P206-F245 HydrophobicContact CG-CE1 4.06Å; P206-F245 HydrophobicContact CG-CZ 4.15Å; L207-F245 HydrophobicContact CB-CE1 4.29Å; L207-F245 HydrophobicContact CB-CZ 4.03Å; L207-F245 HydrophobicContact CD1-CE2 4.45Å; L207-F245 HydrophobicContact CD1-CZ 4.26Å; M210-F245 HydrophobicContact SD-CD2 4.09Å; M210-F245 HydrophobicContact SD-CE2 3.56Å; M210-F245 VanDerWaalsContact SD-CE2 3.56Å; M241-F245 HydrophobicContact CG-CD2 4.09Å; M241-F245 HydrophobicContact CG-CE2 3.58Å; M241-F245 WeakPolarHBondContact O-CD2 3.4Å; M241-F245 PolarHBondContact O-N 2.87Å; M241-F245 VanDerWaalsContact O-N 3.14Å; M241-F245 HydrophobicContact SD-CD2 4.46Å; M241-F245 HydrophobicContact SD-CE2 3.68Å; M241-F245 HydrophobicContact SD-CZ 4.08Å; I242-F245 PolarHBondContact O-N 3.25Å; I242-F245 VanDerWaalsContact O-N 3.17Å; V243-F245 VanDerWaalsContact C-N 3.35Å; V243-F245 PolarHBondContact O-N 2.92Å; F245-F247 PolarHBondContact O-N 2.9Å; F245-A249 WeakPolarHBondContact O-CA 3.06Å; F245-A249 WeakPolarHBondContact O-CB 3.28Å; F245-A249 PolarHBondContact O-N 3.36Å |
| 246 | L | 95.1 | Very high | 90.8 | Very high | 110 Ų | 110 | 33.3 Ų | 33.3 | 58% | 0.576 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -60 | -34.4 | 177.3 | -71.3 | 173.7 | 0 | 0 | 0 | 112.3 | I242 V243 Y244 | I242-L246 HydrophobicContact CG2-CD1 3.98Å; I242-L246 HydrophobicContact CG2-CG 4.26Å; I242-L246 WeakPolarHBondContact O-CG 3.24Å; I242-L246 PolarHBondContact O-N 2.94Å; V243-L246 PolarHBondContact O-N 2.9Å; Y244-L246 PolarHBondContact O-N 3.42Å |
| 247 | F | 94.6 | Very high | 91.5 | Very high | 41 Ų | 41 | 34.2 Ų | 34.2 | 18% | 0.18 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -89.5 | -40.1 | -177.4 | -79.1 | -116.1 | 0 | 0 | 0 | 112.6 | V243 Y244 F245 L285 G286 A288 H289 I292 | V243-F247 HydrophobicContact CG1-CD2 3.88Å; V243-F247 HydrophobicContact CG1-CE2 3.89Å; V243-F247 WeakPolarHBondContact O-CD2 3.33Å; V243-F247 PolarHBondContact O-N 3.46Å; V243-F247 VanDerWaalsContact O-N 3.12Å; Y244-F247 PolarHBondContact O-N 3.16Å; F245-F247 PolarHBondContact O-N 2.9Å; F247-L285 HydrophobicContact CD1-CD1 3.95Å; F247-L285 HydrophobicContact CD1-CG 4.28Å; F247-L285 WeakPolarHBondContact CD1-O 3.37Å; F247-L285 HydrophobicContact CE1-CD1 3.99Å; F247-L285 HydrophobicContact CG-CD1 4.43Å; F247-G286 PolarHBondContact O-N 3.37Å; F247-A288 HydrophobicContact CD1-CB 4.44Å; F247-A288 HydrophobicContact CE1-CB 4.15Å; F247-H289 HydrophobicContact CB-CB 3.9Å; F247-H289 HydrophobicContact CD1-CB 3.93Å; F247-H289 HydrophobicContact CG-CB 4.15Å; F247-I292 HydrophobicContact CE1-CD1 4.26Å; F247-I292 HydrophobicContact CE1-CG1 3.79Å; F247-I292 HydrophobicContact CZ-CD1 4.1Å; F247-I292 HydrophobicContact CZ-CG1 3.8Å |
| 248 | W | 94.8 | Very high | 92 | Very high | 10 Ų | 10 | 35 Ų | 35 | 4% | 0.038 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -100.3 | -27.9 | -172.3 | -76.5 | 103.9 | 0 | 0 | 0 | 115.1 | F79 F112 Y244 P250 Y251 N252 G286 H289 | F79-W248 HydrophobicContact CE2-CH2 4.11Å; F79-W248 HydrophobicContact CE2-CZ2 4.28Å; F79-W248 AromaticContact CZ-CH2 3.95Å; F79-W248 HydrophobicContact CZ-CH2 3.95Å; F79-W248 HydrophobicContact CZ-CZ2 4.1Å; F112-W248 HydrophobicContact CD2-CD2 4.23Å; F112-W248 HydrophobicContact CD2-CE3 4.06Å; F112-W248 AromaticContact CD2-CH2 3.55Å; F112-W248 HydrophobicContact CD2-CH2 3.55Å; F112-W248 AromaticContact CD2-CZ2 3.74Å; F112-W248 HydrophobicContact CD2-CZ2 3.74Å; F112-W248 AromaticContact CD2-CZ3 3.72Å; F112-W248 HydrophobicContact CD2-CZ3 3.72Å; F112-W248 AromaticContact CE2-CD2 3.72Å; F112-W248 HydrophobicContact CE2-CD2 3.72Å; F112-W248 AromaticContact CE2-CE3 3.47Å; F112-W248 HydrophobicContact CE2-CE3 3.47Å; F112-W248 VanDerWaalsContact CE2-CE3 3.47Å; F112-W248 HydrophobicContact CE2-CG 4.45Å; F112-W248 AromaticContact CE2-CH2 3.86Å; F112-W248 HydrophobicContact CE2-CH2 3.86Å; F112-W248 HydrophobicContact CE2-CZ2 4.1Å; F112-W248 AromaticContact CE2-CZ3 3.55Å; F112-W248 HydrophobicContact CE2-CZ3 3.55Å; F112-W248 HydrophobicContact CZ-CE3 4.46Å; Y244-W248 AromaticContact CD2-CD1 3.48Å; Y244-W248 VanDerWaalsContact CD2-CD1 3.48Å; Y244-W248 HydrophobicContact CD2-CG 4.27Å; Y244-W248 HydrophobicContact CE1-CB 4.26Å; Y244-W248 HydrophobicContact CE2-CB 4.15Å; Y244-W248 AromaticContact CE2-CD1 3.34Å; Y244-W248 AromaticContact CE2-CG 3.81Å; Y244-W248 HydrophobicContact CE2-CG 3.81Å; Y244-W248 AromaticContact CE2-NE1 3.96Å; Y244-W248 WeakPolarHBondContact O-CB 3.16Å; Y244-W248 PolarHBondContact O-N 2.85Å; W248-P250 VanDerWaalsContact C-CD 3.48Å; W248-Y251 HydrophobicContact CE3-CD1 4.09Å; W248-Y251 HydrophobicContact CZ3-CD1 4.08Å; W248-Y251 HydrophobicContact CZ3-CE1 4.48Å; W248-Y251 PolarHBondContact O-N 2.8Å; W248-N252 PolarHBondContact O-N 2.91Å; W248-N252 VanDerWaalsContact O-N 3.1Å; W248-N252 PolarHBondContact O-ND2 3.42Å; W248-G286 VanDerWaalsContact CZ2-O 3.23Å; W248-G286 WeakPolarHBondContact CZ2-O 3.46Å; W248-G286 PolarHBondContact NE1-O 3.38Å; W248-H289 AromaticContact CD1-CG 3.86Å; W248-H289 AromaticContact NE1-CG 3.55Å; W248-H289 AromaticContact NE1-ND1 3.61Å |
| 249 | A | 94.3 | Very high | 92.3 | Very high | 17 Ų | 17 | 31.3 Ų | 31.3 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L203 F245 Y251 N252 I253 | L203-A249 HydrophobicContact CD1-CB 3.75Å; F245-A249 WeakPolarHBondContact O-CA 3.06Å; F245-A249 WeakPolarHBondContact O-CB 3.28Å; F245-A249 PolarHBondContact O-N 3.36Å; A249-Y251 VanDerWaalsContact C-N 3.31Å; A249-Y251 PolarHBondContact O-N 3.1Å; A249-N252 PolarHBondContact O-N 3.49Å; A249-I253 WeakPolarHBondContact O-CD1 3.19Å; A249-I253 VanDerWaalsContact O-CG1 3.25Å; A249-I253 WeakPolarHBondContact O-CG1 3.42Å; A249-I253 PolarHBondContact O-N 3.18Å |
| 250 | P | 96.1 | Very high | 92.4 | Very high | 42 Ų | 42 | 32 Ų | 32 | 27% | 0.273 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -55.2 | -45.8 | 176.1 | -26.8 | 36.1 | 0 | 0 | 0 | 112.5 | W248 I253 V254 T282 L285 | W248-P250 VanDerWaalsContact C-CD 3.48Å; P250-I253 PolarHBondContact O-N 3.06Å; P250-V254 VanDerWaalsContact O-CG2 3.32Å; P250-V254 WeakPolarHBondContact O-CG2 3.47Å; P250-V254 PolarHBondContact O-N 3.35Å; P250-T282 HydrophobicContact CB-CG2 3.61Å; P250-L285 HydrophobicContact CG-CD2 4.29Å |
| 251 | Y | 94.6 | Very high | 92.4 | Very high | 24 Ų | 24 | 33.4 Ų | 33.4 | 9% | 0.094 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 178.1 | 173.8 | -103.6 | 0 | 0 | 0 | 112 | W248 A249 I253 V254 L255 M279 E283 | W248-Y251 HydrophobicContact CE3-CD1 4.09Å; W248-Y251 HydrophobicContact CZ3-CD1 4.08Å; W248-Y251 HydrophobicContact CZ3-CE1 4.48Å; W248-Y251 PolarHBondContact O-N 2.8Å; A249-Y251 VanDerWaalsContact C-N 3.31Å; A249-Y251 PolarHBondContact O-N 3.1Å; Y251-I253 VanDerWaalsContact C-N 3.3Å; Y251-I253 PolarHBondContact O-N 3.09Å; Y251-V254 PolarHBondContact O-N 3.1Å; Y251-L255 HydrophobicContact CE1-CD2 4.24Å; Y251-L255 VanDerWaalsContact O-CB 3.28Å; Y251-L255 WeakPolarHBondContact O-CB 3.32Å; Y251-L255 PolarHBondContact O-N 3.09Å; Y251-M279 HydrophobicContact CE2-CG 4.33Å; Y251-E283 HydrophobicContact CD2-CB 3.66Å; Y251-E283 HydrophobicContact CD2-CG 4.34Å; Y251-E283 HydrophobicContact CE2-CB 3.69Å; Y251-E283 HydrophobicContact CE2-CG 4.03Å |
| 252 | N | 94.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.8 | -38.3 | 179.6 | -78.1 | -86.9 | 0 | 0 | 0 | 112.2 | I198 V199 L203 W248 A249 L256 | I198-N252 PolarHBondContact O-OD1 2.99Å; V199-N252 HydrophobicContact CG2-CB 4.42Å; L203-N252 HydrophobicContact CB-CB 4.24Å; L203-N252 HydrophobicContact CD2-CB 3.98Å; W248-N252 PolarHBondContact O-N 2.91Å; W248-N252 VanDerWaalsContact O-N 3.1Å; W248-N252 PolarHBondContact O-ND2 3.42Å; A249-N252 PolarHBondContact O-N 3.49Å; N252-L256 PolarHBondContact O-N 3.05Å; N252-L256 VanDerWaalsContact O-N 3.1Å |
| 253 | I | 94.4 | Very high | 91.9 | Very high | 92 Ų | 92 | 46.4 Ų | 46.4 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.4 | -47.3 | 176.4 | -66.6 | 163.9 | 0 | 0 | 0 | 110.3 | A249 P250 Y251 L255 L256 L257 | A249-I253 WeakPolarHBondContact O-CD1 3.19Å; A249-I253 VanDerWaalsContact O-CG1 3.25Å; A249-I253 WeakPolarHBondContact O-CG1 3.42Å; A249-I253 PolarHBondContact O-N 3.18Å; P250-I253 PolarHBondContact O-N 3.06Å; Y251-I253 VanDerWaalsContact C-N 3.3Å; Y251-I253 PolarHBondContact O-N 3.09Å; I253-L255 VanDerWaalsContact C-N 3.32Å; I253-L255 PolarHBondContact O-N 2.96Å; I253-L256 WeakPolarHBondContact O-CB 3.47Å; I253-L256 PolarHBondContact O-N 3.03Å; I253-L257 HydrophobicContact CG2-CD1 4.22Å; I253-L257 WeakPolarHBondContact O-CG 3.42Å; I253-L257 PolarHBondContact O-N 2.68Å |
| 254 | V | 94.1 | Very high | 91.5 | Very high | 17 Ų | 17 | 50 Ų | 50 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.5 | -37.7 | 178.6 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | P250 Y251 L256 L257 N258 L275 A278 M279 T282 | P250-V254 VanDerWaalsContact O-CG2 3.32Å; P250-V254 WeakPolarHBondContact O-CG2 3.47Å; P250-V254 PolarHBondContact O-N 3.35Å; Y251-V254 PolarHBondContact O-N 3.1Å; V254-L256 VanDerWaalsContact C-N 3.33Å; V254-L256 PolarHBondContact O-N 3.09Å; V254-L257 PolarHBondContact O-N 3.3Å; V254-N258 VanDerWaalsContact O-CB 3.29Å; V254-N258 WeakPolarHBondContact O-CB 3.29Å; V254-N258 PolarHBondContact O-N 2.83Å; V254-L275 HydrophobicContact CG1-CD2 4.46Å; V254-A278 HydrophobicContact CG1-CB 4.08Å; V254-A278 HydrophobicContact CG2-CB 4.18Å; V254-M279 HydrophobicContact CG1-CB 3.9Å; V254-T282 HydrophobicContact CG2-CG2 4.11Å |
| 255 | L | 92.8 | Very high | 90.9 | Very high | 17 Ų | 17 | 51.9 Ų | 51.9 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 175.1 | -177.4 | 67 | 0 | 0 | 0 | 111.9 | T195 I198 Y251 I253 N258 T259 | T195-L255 HydrophobicContact CG2-CD2 4.38Å; T195-L255 HydrophobicContact CG2-CG 4.03Å; I198-L255 HydrophobicContact CB-CD2 4.03Å; I198-L255 HydrophobicContact CD1-CD2 3.97Å; I198-L255 HydrophobicContact CG2-CD2 3.78Å; Y251-L255 HydrophobicContact CE1-CD2 4.24Å; Y251-L255 VanDerWaalsContact O-CB 3.28Å; Y251-L255 WeakPolarHBondContact O-CB 3.32Å; Y251-L255 PolarHBondContact O-N 3.09Å; I253-L255 VanDerWaalsContact C-N 3.32Å; I253-L255 PolarHBondContact O-N 2.96Å; L255-N258 PolarHBondContact O-N 2.88Å; L255-T259 WeakPolarHBondContact O-CB 3.26Å; L255-T259 PolarHBondContact O-N 3.44Å; L255-T259 PolarHBondContact O-OG1 3.21Å |
| 256 | L | 93.3 | Very high | 90.3 | Very high | 53 Ų | 53 | 53 Ų | 53 | 28% | 0.277 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.3 | -49.9 | 173.9 | -167.4 | 86.4 | 0 | 0 | 0 | 110.7 | T195 V199 N252 I253 V254 N258 T259 F260 | T195-L256 HydrophobicContact CG2-CD1 4.48Å; V199-L256 HydrophobicContact CG2-CD1 4.3Å; N252-L256 PolarHBondContact O-N 3.05Å; N252-L256 VanDerWaalsContact O-N 3.1Å; I253-L256 WeakPolarHBondContact O-CB 3.47Å; I253-L256 PolarHBondContact O-N 3.03Å; V254-L256 VanDerWaalsContact C-N 3.33Å; V254-L256 PolarHBondContact O-N 3.09Å; L256-N258 VanDerWaalsContact C-N 3.31Å; L256-N258 PolarHBondContact O-N 2.81Å; L256-T259 PolarHBondContact O-N 3.05Å; L256-T259 VanDerWaalsContact O-N 3.15Å; L256-F260 HydrophobicContact CD1-CD2 4.01Å; L256-F260 HydrophobicContact CD1-CE2 3.81Å; L256-F260 HydrophobicContact CG-CD2 4.04Å; L256-F260 HydrophobicContact CG-CE2 4.36Å; L256-F260 WeakPolarHBondContact O-CD2 3.49Å; L256-F260 PolarHBondContact O-N 2.99Å |
| 257 | L | 91.6 | Very high | 89.3 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -40.8 | 177.9 | -68.8 | 172.9 | 0 | 0 | 0 | 112 | I253 V254 T259 F260 Q261 F264 L275 | I253-L257 HydrophobicContact CG2-CD1 4.22Å; I253-L257 WeakPolarHBondContact O-CG 3.42Å; I253-L257 PolarHBondContact O-N 2.68Å; V254-L257 PolarHBondContact O-N 3.3Å; L257-T259 VanDerWaalsContact C-N 3.31Å; L257-T259 PolarHBondContact O-N 2.84Å; L257-F260 CarbonylContact O-C 3.35Å; L257-Q261 WeakPolarHBondContact O-CA 3.41Å; L257-Q261 VanDerWaalsContact O-CG 3.24Å; L257-Q261 WeakPolarHBondContact O-CG 3.23Å; L257-Q261 PolarHBondContact O-N 3.49Å; L257-Q261 VanDerWaalsContact O-N 3.15Å; L257-F264 HydrophobicContact CD2-CD1 4.41Å; L257-F264 HydrophobicContact CD2-CD2 3.72Å; L257-F264 HydrophobicContact CD2-CE1 4.5Å; L257-F264 HydrophobicContact CD2-CE2 3.83Å; L257-F264 HydrophobicContact CD2-CG 4.03Å; L257-F264 HydrophobicContact CD2-CZ 4.23Å; L257-L275 HydrophobicContact CB-CD2 3.93Å; L257-L275 HydrophobicContact CD1-CD2 4.46Å |
| 258 | N | 89.3 | Confident | 88.8 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 13% | 0.134 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68 | -30 | 177.8 | -172.7 | 54.7 | 0 | 0 | 0 | 113 | V254 L255 L256 Q261 | V254-N258 VanDerWaalsContact O-CB 3.29Å; V254-N258 WeakPolarHBondContact O-CB 3.29Å; V254-N258 PolarHBondContact O-N 2.83Å; L255-N258 PolarHBondContact O-N 2.88Å; L256-N258 VanDerWaalsContact C-N 3.31Å; L256-N258 PolarHBondContact O-N 2.81Å; N258-Q261 WeakPolarHBondContact O-CG 3.47Å; N258-Q261 PolarHBondContact OD1-NE2 2.82Å; N258-Q261 VanDerWaalsContact OD1-NE2 3.09Å |
| 259 | T | 89 | Confident | 88 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -79 | -39.9 | 178.6 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | K191 N192 T195 L255 L256 L257 | K191-T259 HydrophobicContact CD-CG2 4.45Å; K191-T259 HydrophobicContact CG-CG2 4.2Å; N192-T259 WeakPolarHBondContact OD1-CG2 3.47Å; T195-T259 WeakPolarHBondContact CB-OG1 3.25Å; T195-T259 HydrophobicContact CG2-CG2 4.17Å; T195-T259 WeakPolarHBondContact CG2-OG1 3.3Å; T195-T259 PolarHBondContact OG1-OG1 3.22Å; L255-T259 WeakPolarHBondContact O-CB 3.26Å; L255-T259 PolarHBondContact O-N 3.44Å; L255-T259 PolarHBondContact O-OG1 3.21Å; L256-T259 PolarHBondContact O-N 3.05Å; L256-T259 VanDerWaalsContact O-N 3.15Å; L257-T259 VanDerWaalsContact C-N 3.31Å; L257-T259 PolarHBondContact O-N 2.84Å |
| 260 | F | 89.1 | Confident | 87.4 | Confident | 53 Ų | 53 | 61 Ų | 61 | 23% | 0.232 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -106.2 | 36.8 | -176.4 | -59.3 | -72.5 | 0 | 0 | 0 | 112.6 | L196 L256 L257 E262 F263 F264 | L196-F260 HydrophobicContact CD2-CE2 4.47Å; L196-F260 HydrophobicContact CD2-CZ 4.45Å; L256-F260 HydrophobicContact CD1-CD2 4.01Å; L256-F260 HydrophobicContact CD1-CE2 3.81Å; L256-F260 HydrophobicContact CG-CD2 4.04Å; L256-F260 HydrophobicContact CG-CE2 4.36Å; L256-F260 WeakPolarHBondContact O-CD2 3.49Å; L256-F260 PolarHBondContact O-N 2.99Å; L257-F260 CarbonylContact O-C 3.35Å; F260-E262 VanDerWaalsContact C-N 3.28Å; F260-E262 PolarHBondContact O-N 3.03Å; F260-F263 HydrophobicContact CB-CB 4.25Å; F260-F263 WeakPolarHBondContact O-CB 3.44Å; F260-F263 PolarHBondContact O-N 3.44Å; F260-F263 VanDerWaalsContact O-N 3.11Å; F260-F264 HydrophobicContact CB-CD2 4.09Å; F260-F264 HydrophobicContact CB-CE2 3.96Å; F260-F264 VanDerWaalsContact O-CD2 3.22Å; F260-F264 WeakPolarHBondContact O-CD2 3.32Å; F260-F264 PolarHBondContact O-N 3.3Å |
| 261 | Q | 85.7 | Confident | 86.7 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 15% | 0.15 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -41.2 | -178.4 | -74.4 | 173.9 | -30.7 | 0 | 0 | 112.8 | L257 N258 F263 F264 G265 L266 L275 | L257-Q261 WeakPolarHBondContact O-CA 3.41Å; L257-Q261 VanDerWaalsContact O-CG 3.24Å; L257-Q261 WeakPolarHBondContact O-CG 3.23Å; L257-Q261 PolarHBondContact O-N 3.49Å; L257-Q261 VanDerWaalsContact O-N 3.15Å; N258-Q261 WeakPolarHBondContact O-CG 3.47Å; N258-Q261 PolarHBondContact OD1-NE2 2.82Å; N258-Q261 VanDerWaalsContact OD1-NE2 3.09Å; Q261-F263 VanDerWaalsContact C-N 3.34Å; Q261-F263 PolarHBondContact O-N 3.45Å; Q261-F264 CarbonylContact O-C 3.6Å; Q261-F264 PolarHBondContact O-N 2.82Å; Q261-G265 PolarHBondContact O-N 2.92Å; Q261-L266 HydrophobicContact CB-CB 4.34Å; Q261-L266 HydrophobicContact CG-CB 4.44Å; Q261-L266 PolarHBondContact O-N 2.88Å; Q261-L275 HydrophobicContact CG-CD1 3.76Å; Q261-L275 VanDerWaalsContact NE2-CD1 3.32Å |
| 262 | E | 82.1 | Confident | 86.1 | Confident | 160 Ų | 160 | 60.4 Ų | 60.4 | 75% | 0.748 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -41.7 | 178.7 | -67.6 | 176.5 | -173.7 | 0 | 0 | 111.9 | F260 F264 G265 | F260-E262 VanDerWaalsContact C-N 3.28Å; F260-E262 PolarHBondContact O-N 3.03Å; E262-F264 VanDerWaalsContact C-N 3.32Å; E262-F264 PolarHBondContact O-N 2.82Å; E262-G265 PolarHBondContact O-N 3.31Å |
| 263 | F | 85.9 | Confident | 85.5 | Confident | 172 Ų | 172 | 62.2 Ų | 62.2 | 75% | 0.754 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -35.5 | 179 | -174.9 | -96.1 | 0 | 0 | 0 | 112.3 | F260 Q261 | F260-F263 HydrophobicContact CB-CB 4.25Å; F260-F263 WeakPolarHBondContact O-CB 3.44Å; F260-F263 PolarHBondContact O-N 3.44Å; F260-F263 VanDerWaalsContact O-N 3.11Å; Q261-F263 VanDerWaalsContact C-N 3.34Å; Q261-F263 PolarHBondContact O-N 3.45Å |
| 264 | F | 84.3 | Confident | 85 | Confident | 97 Ų | 97 | 66.4 Ų | 66.4 | 43% | 0.425 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 2.4 | 178.4 | -67.2 | -67.1 | 0 | 0 | 0 | 114 | L257 F260 Q261 E262 L266 | L257-F264 HydrophobicContact CD2-CD1 4.41Å; L257-F264 HydrophobicContact CD2-CD2 3.72Å; L257-F264 HydrophobicContact CD2-CE1 4.5Å; L257-F264 HydrophobicContact CD2-CE2 3.83Å; L257-F264 HydrophobicContact CD2-CG 4.03Å; L257-F264 HydrophobicContact CD2-CZ 4.23Å; F260-F264 HydrophobicContact CB-CD2 4.09Å; F260-F264 HydrophobicContact CB-CE2 3.96Å; F260-F264 VanDerWaalsContact O-CD2 3.22Å; F260-F264 WeakPolarHBondContact O-CD2 3.32Å; F260-F264 PolarHBondContact O-N 3.3Å; Q261-F264 CarbonylContact O-C 3.6Å; Q261-F264 PolarHBondContact O-N 2.82Å; E262-F264 VanDerWaalsContact C-N 3.32Å; E262-F264 PolarHBondContact O-N 2.82Å; F264-L266 VanDerWaalsContact C-N 3.31Å; F264-L266 HydrophobicContact CB-CD1 3.96Å; F264-L266 HydrophobicContact CB-CG 4.05Å; F264-L266 PolarHBondContact O-N 3.36Å |
| 265 | G | 79.6 | Confident | 84.6 | Confident | 45 Ų | 45 | 66.4 Ų | 66.4 | 46% | 0.464 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 28.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q261 E262 | Q261-G265 PolarHBondContact O-N 2.92Å; E262-G265 PolarHBondContact O-N 3.31Å |
| 266 | L | 80.4 | Confident | 84.1 | Confident | 48 Ų | 48 | 67 Ų | 67 | 25% | 0.251 | 35% | 0.348 | S | S | . | . | trans | -103.1 | 18.7 | -177.1 | -61.5 | 174.9 | 0 | 0 | 0 | 113.2 | Q261 F264 N268 S271 L275 | Q261-L266 HydrophobicContact CB-CB 4.34Å; Q261-L266 HydrophobicContact CG-CB 4.44Å; Q261-L266 PolarHBondContact O-N 2.88Å; F264-L266 VanDerWaalsContact C-N 3.31Å; F264-L266 HydrophobicContact CB-CD1 3.96Å; F264-L266 HydrophobicContact CB-CG 4.05Å; F264-L266 PolarHBondContact O-N 3.36Å; L266-N268 PolarHBondContact O-N 3.47Å; L266-S271 WeakPolarHBondContact O-CB 3.5Å; L266-L275 HydrophobicContact CB-CD1 3.98Å; L266-L275 HydrophobicContact CD1-CD1 3.93Å | ||
| 267 | N | 75.6 | Confident | 83.6 | Confident | 106 Ų | 106 | 68.5 Ų | 68.5 | 57% | 0.567 | 35% | 0.354 | S | S | * | . | trans | -76.4 | -1.2 | -176.4 | 63.2 | -23.6 | 0 | 0 | 0 | 114.9 | ||||
| 268 | N | 82.6 | Confident | 83.5 | Confident | 96 Ų | 96 | 67.8 Ų | 67.8 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -72.7 | 143 | 174.8 | -64 | -23.9 | 0 | 0 | 0 | 111.2 | L266 S270 S271 S272 | L266-N268 PolarHBondContact O-N 3.47Å; N268-S270 VanDerWaalsContact C-N 3.27Å; N268-S270 PolarHBondContact O-N 3.24Å; N268-S271 PolarHBondContact O-N 3.29Å; N268-S272 PolarHBondContact O-N 2.9Å |
| 269 | C | 79.1 | Confident | 83.4 | Confident | 72 Ų | 72 | 68.6 Ų | 68.6 | 49% | 0.486 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.3 | -35.9 | -178.5 | 167.5 | 0 | 0 | 0 | 0 | 112.9 | C20 N273 | C20-C269 HydrophobicContact CB-CB 4.03Å; C20-C269 WeakPolarHBondContact CB-SG 3.44Å; C20-C269 WeakPolarHBondContact SG-CB 3.16Å; C20-C269 CovalentContact SG-SG 2.06Å; C20-C269 PolarHBondContact SG-SG 3.23Å; C269-N273 VanDerWaalsContact O-CB 3.3Å; C269-N273 WeakPolarHBondContact O-CB 3.35Å; C269-N273 PolarHBondContact O-N 3.37Å |
| 270 | S | 81.1 | Confident | 83.2 | Confident | 73 Ų | 73 | 71.2 Ų | 71.2 | 51% | 0.51 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 174.8 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | N268 R274 | N268-S270 VanDerWaalsContact C-N 3.27Å; N268-S270 PolarHBondContact O-N 3.24Å; S270-R274 WeakPolarHBondContact O-CG 3.38Å; S270-R274 PolarHBondContact O-N 3.09Å |
| 271 | S | 82.4 | Confident | 83.2 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 20% | 0.203 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.6 | -43.6 | 176.9 | -63 | 0 | 0 | 0 | 0 | 111.8 | L266 N268 N273 R274 L275 | L266-S271 WeakPolarHBondContact O-CB 3.5Å; N268-S271 PolarHBondContact O-N 3.29Å; S271-N273 VanDerWaalsContact C-N 3.34Å; S271-N273 PolarHBondContact O-N 2.97Å; S271-R274 PolarHBondContact O-N 3.07Å; S271-L275 PolarHBondContact O-N 2.76Å |
| 272 | S | 80.6 | Confident | 83.5 | Confident | 23 Ų | 23 | 72.9 Ų | 72.9 | 16% | 0.161 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 174.2 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | N268 R274 L275 D276 | N268-S272 PolarHBondContact O-N 2.9Å; S272-R274 VanDerWaalsContact C-N 3.32Å; S272-R274 PolarHBondContact O-N 3.07Å; S272-L275 WeakPolarHBondContact O-CB 3.44Å; S272-L275 PolarHBondContact O-N 2.81Å; S272-L275 VanDerWaalsContact O-N 3.09Å; S272-D276 VanDerWaalsContact O-CG 3.32Å; S272-D276 PolarHBondContact O-N 2.94Å |
| 273 | N | 81.9 | Confident | 83.9 | Confident | 40 Ų | 40 | 67.2 Ų | 67.2 | 21% | 0.214 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | -179.9 | -167.4 | 25.8 | 0 | 0 | 0 | 112.2 | C269 S271 D276 Q277 | C269-N273 VanDerWaalsContact O-CB 3.3Å; C269-N273 WeakPolarHBondContact O-CB 3.35Å; C269-N273 PolarHBondContact O-N 3.37Å; S271-N273 VanDerWaalsContact C-N 3.34Å; S271-N273 PolarHBondContact O-N 2.97Å; N273-D276 PolarHBondContact O-N 3.31Å; N273-Q277 WeakPolarHBondContact O-CG 3.49Å; N273-Q277 PolarHBondContact O-N 3.04Å; N273-Q277 VanDerWaalsContact O-N 3.12Å |
| 274 | R | 84.9 | Confident | 84 | Confident | 180 Ų | 180 | 59.7 Ų | 59.7 | 68% | 0.679 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.3 | -38.5 | 172.9 | -69.2 | 178.7 | -164.3 | -164.9 | 4.7 | 112.1 | S270 S271 S272 Q277 A278 | S270-R274 WeakPolarHBondContact O-CG 3.38Å; S270-R274 PolarHBondContact O-N 3.09Å; S271-R274 PolarHBondContact O-N 3.07Å; S272-R274 VanDerWaalsContact C-N 3.32Å; S272-R274 PolarHBondContact O-N 3.07Å; R274-Q277 PolarHBondContact O-N 2.81Å; R274-A278 WeakPolarHBondContact O-CB 3.49Å; R274-A278 PolarHBondContact O-N 3.04Å |
| 275 | L | 85.3 | Confident | 84.4 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 175.6 | -80.9 | 169.5 | 0 | 0 | 0 | 112 | V254 L257 Q261 L266 S271 S272 A278 M279 | V254-L275 HydrophobicContact CG1-CD2 4.46Å; L257-L275 HydrophobicContact CB-CD2 3.93Å; L257-L275 HydrophobicContact CD1-CD2 4.46Å; Q261-L275 HydrophobicContact CG-CD1 3.76Å; Q261-L275 VanDerWaalsContact NE2-CD1 3.32Å; L266-L275 HydrophobicContact CB-CD1 3.98Å; L266-L275 HydrophobicContact CD1-CD1 3.93Å; S271-L275 PolarHBondContact O-N 2.76Å; S272-L275 WeakPolarHBondContact O-CB 3.44Å; S272-L275 PolarHBondContact O-N 2.81Å; S272-L275 VanDerWaalsContact O-N 3.09Å; L275-A278 PolarHBondContact O-N 3.47Å; L275-M279 VanDerWaalsContact O-CB 3.31Å; L275-M279 WeakPolarHBondContact O-CB 3.31Å; L275-M279 PolarHBondContact O-N 3.36Å |
| 276 | D | 82.6 | Confident | 85 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 15% | 0.15 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 176.1 | -64.7 | -59.1 | 0 | 0 | 0 | 112 | K22 S272 N273 M279 Q280 | K22-D276 WeakPolarHBondContact CE-OD2 3.48Å; K22-D276 VanDerWaalsContact NZ-CG 3.25Å; K22-D276 IonicContact NZ-OD1 3.85Å; K22-D276 PolarHBondContact NZ-OD1 3.43Å; K22-D276 IonicContact NZ-OD2 2.79Å; K22-D276 PolarHBondContact NZ-OD2 3.41Å; S272-D276 VanDerWaalsContact O-CG 3.32Å; S272-D276 PolarHBondContact O-N 2.94Å; N273-D276 PolarHBondContact O-N 3.31Å; D276-M279 PolarHBondContact O-N 2.83Å; D276-Q280 PolarHBondContact O-N 2.73Å |
| 277 | Q | 83 | Confident | 85.3 | Confident | 85 Ų | 85 | 54.1 Ų | 54.1 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 172.3 | -71.2 | 173.7 | 9.5 | 0 | 0 | 111.2 | V25 N273 R274 M279 Q280 V281 | V25-Q277 HydrophobicContact CB-CG 4.2Å; V25-Q277 HydrophobicContact CG1-CG 3.65Å; V25-Q277 HydrophobicContact CG2-CG 3.45Å; V25-Q277 VanDerWaalsContact CG2-CG 3.45Å; N273-Q277 WeakPolarHBondContact O-CG 3.49Å; N273-Q277 PolarHBondContact O-N 3.04Å; N273-Q277 VanDerWaalsContact O-N 3.12Å; R274-Q277 PolarHBondContact O-N 2.81Å; Q277-M279 VanDerWaalsContact C-N 3.28Å; Q277-M279 PolarHBondContact O-N 3.38Å; Q277-Q280 PolarHBondContact O-N 3.07Å; Q277-V281 WeakPolarHBondContact O-CG2 3.35Å; Q277-V281 PolarHBondContact O-N 3.46Å |
| 278 | A | 88.2 | Confident | 86 | Confident | 35 Ų | 35 | 50 Ų | 50 | 29% | 0.289 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V254 R274 L275 V281 T282 | V254-A278 HydrophobicContact CG1-CB 4.08Å; V254-A278 HydrophobicContact CG2-CB 4.18Å; R274-A278 WeakPolarHBondContact O-CB 3.49Å; R274-A278 PolarHBondContact O-N 3.04Å; L275-A278 PolarHBondContact O-N 3.47Å; A278-V281 PolarHBondContact O-N 3.45Å; A278-T282 VanDerWaalsContact O-CB 3.3Å; A278-T282 WeakPolarHBondContact O-CB 3.3Å; A278-T282 VanDerWaalsContact O-CG2 3.26Å; A278-T282 WeakPolarHBondContact O-CG2 3.06Å; A278-T282 PolarHBondContact O-N 3.24Å; A278-T282 PolarHBondContact O-OG1 2.93Å |
| 279 | M | 88.3 | Confident | 86.5 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 21% | 0.207 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 178.2 | -173.8 | 166.6 | 54.1 | 0 | 0 | 110.6 | Y251 V254 L275 D276 Q277 V281 T282 E283 | Y251-M279 HydrophobicContact CE2-CG 4.33Å; V254-M279 HydrophobicContact CG1-CB 3.9Å; L275-M279 VanDerWaalsContact O-CB 3.31Å; L275-M279 WeakPolarHBondContact O-CB 3.31Å; L275-M279 PolarHBondContact O-N 3.36Å; D276-M279 PolarHBondContact O-N 2.83Å; Q277-M279 VanDerWaalsContact C-N 3.28Å; Q277-M279 PolarHBondContact O-N 3.38Å; M279-V281 PolarHBondContact O-N 2.92Å; M279-T282 PolarHBondContact O-N 3.45Å; M279-T282 PolarHBondContact O-OG1 2.6Å; M279-E283 WeakPolarHBondContact O-CB 3.28Å; M279-E283 PolarHBondContact O-N 3.39Å |
| 280 | Q | 85.1 | Confident | 87 | Confident | 63 Ų | 63 | 42.5 Ų | 42.5 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 177.9 | -168.2 | 66.9 | 54.8 | 0 | 0 | 112.5 | A29 L33 D276 Q277 T284 | A29-Q280 HydrophobicContact CB-CG 4.45Å; L33-Q280 HydrophobicContact CD1-CG 3.97Å; D276-Q280 PolarHBondContact O-N 2.73Å; Q277-Q280 PolarHBondContact O-N 3.07Å; Q280-T284 VanDerWaalsContact O-CB 3.28Å; Q280-T284 WeakPolarHBondContact O-CB 3.41Å; Q280-T284 PolarHBondContact O-N 3.32Å; Q280-T284 PolarHBondContact O-OG1 2.97Å |
| 281 | V | 88.1 | Confident | 87.4 | Confident | 101 Ų | 101 | 39.8 Ų | 39.8 | 61% | 0.612 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -67.5 | -46.5 | -179.8 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | Q277 A278 M279 T284 L285 | Q277-V281 WeakPolarHBondContact O-CG2 3.35Å; Q277-V281 PolarHBondContact O-N 3.46Å; A278-V281 PolarHBondContact O-N 3.45Å; M279-V281 PolarHBondContact O-N 2.92Å; V281-T284 WeakPolarHBondContact O-CB 3.43Å; V281-T284 PolarHBondContact O-N 3.45Å; V281-L285 PolarHBondContact O-N 3.46Å |
| 282 | T | 92.8 | Very high | 87.8 | Confident | 18 Ų | 18 | 40 Ų | 40 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.6 | -33.8 | -178.5 | 55.1 | 0 | 0 | 0 | 0 | 112.6 | P250 V254 A278 M279 L285 G286 | P250-T282 HydrophobicContact CB-CG2 3.61Å; V254-T282 HydrophobicContact CG2-CG2 4.11Å; A278-T282 VanDerWaalsContact O-CB 3.3Å; A278-T282 WeakPolarHBondContact O-CB 3.3Å; A278-T282 VanDerWaalsContact O-CG2 3.26Å; A278-T282 WeakPolarHBondContact O-CG2 3.06Å; A278-T282 PolarHBondContact O-N 3.24Å; A278-T282 PolarHBondContact O-OG1 2.93Å; M279-T282 PolarHBondContact O-N 3.45Å; M279-T282 PolarHBondContact O-OG1 2.6Å; T282-L285 WeakPolarHBondContact O-CB 3.34Å; T282-L285 PolarHBondContact O-N 2.95Å; T282-G286 PolarHBondContact O-N 3.09Å |
| 283 | E | 90.3 | Very high | 88.2 | Confident | 42 Ų | 42 | 39 Ų | 39 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 171.1 | -178.1 | 171 | -155.2 | 0 | 0 | 111 | Y108 Y251 M279 L285 G286 M287 | Y108-E283 PolarHBondContact OH-OE1 2.89Å; Y251-E283 HydrophobicContact CD2-CB 3.66Å; Y251-E283 HydrophobicContact CD2-CG 4.34Å; Y251-E283 HydrophobicContact CE2-CB 3.69Å; Y251-E283 HydrophobicContact CE2-CG 4.03Å; M279-E283 WeakPolarHBondContact O-CB 3.28Å; M279-E283 PolarHBondContact O-N 3.39Å; E283-L285 VanDerWaalsContact C-N 3.31Å; E283-L285 PolarHBondContact O-N 3.35Å; E283-G286 CarbonylContact O-C 3.5Å; E283-G286 WeakPolarHBondContact O-CA 3.36Å; E283-G286 PolarHBondContact O-N 3.29Å; E283-G286 VanDerWaalsContact O-N 3.1Å; E283-M287 HydrophobicContact CG-CE 3.99Å; E283-M287 WeakPolarHBondContact O-CG 3.28Å; E283-M287 PolarHBondContact O-N 2.79Å |
| 284 | T | 87.8 | Confident | 88.4 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 8% | 0.08 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 176.9 | -63.8 | 0 | 0 | 0 | 0 | 112 | L33 L36 Y37 Q280 V281 M287 A288 | L33-T284 HydrophobicContact CD2-CG2 3.84Å; L33-T284 WeakPolarHBondContact CD2-OG1 3.37Å; L36-T284 HydrophobicContact CD2-CG2 3.35Å; L36-T284 HydrophobicContact CG-CG2 4.39Å; Y37-T284 HydrophobicContact CE1-CG2 3.81Å; Y37-T284 PolarHBondContact OH-OG1 3.43Å; Y37-T284 VanDerWaalsContact OH-OG1 3.04Å; Q280-T284 VanDerWaalsContact O-CB 3.28Å; Q280-T284 WeakPolarHBondContact O-CB 3.41Å; Q280-T284 PolarHBondContact O-N 3.32Å; Q280-T284 PolarHBondContact O-OG1 2.97Å; V281-T284 WeakPolarHBondContact O-CB 3.43Å; V281-T284 PolarHBondContact O-N 3.45Å; T284-M287 PolarHBondContact O-N 3.4Å; T284-A288 PolarHBondContact O-N 2.87Å; T284-A288 VanDerWaalsContact O-N 3.09Å |
| 285 | L | 92.3 | Very high | 88.5 | Confident | 69 Ų | 69 | 32.7 Ų | 32.7 | 36% | 0.361 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.5 | -49.1 | 171.1 | -179.2 | 65 | 0 | 0 | 0 | 110.6 | F247 P250 V281 T282 E283 M287 A288 | F247-L285 HydrophobicContact CD1-CD1 3.95Å; F247-L285 HydrophobicContact CD1-CG 4.28Å; F247-L285 WeakPolarHBondContact CD1-O 3.37Å; F247-L285 HydrophobicContact CE1-CD1 3.99Å; F247-L285 HydrophobicContact CG-CD1 4.43Å; P250-L285 HydrophobicContact CG-CD2 4.29Å; V281-L285 PolarHBondContact O-N 3.46Å; T282-L285 WeakPolarHBondContact O-CB 3.34Å; T282-L285 PolarHBondContact O-N 2.95Å; E283-L285 VanDerWaalsContact C-N 3.31Å; E283-L285 PolarHBondContact O-N 3.35Å; L285-M287 VanDerWaalsContact C-N 3.31Å; L285-M287 PolarHBondContact O-N 3.29Å; L285-A288 WeakPolarHBondContact O-CB 3.31Å; L285-A288 PolarHBondContact O-N 3.44Å; L285-A288 VanDerWaalsContact O-N 3.1Å |
| 286 | G | 92.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.8 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F247 W248 T282 E283 A288 H289 | F247-G286 PolarHBondContact O-N 3.37Å; W248-G286 VanDerWaalsContact CZ2-O 3.23Å; W248-G286 WeakPolarHBondContact CZ2-O 3.46Å; W248-G286 PolarHBondContact NE1-O 3.38Å; T282-G286 PolarHBondContact O-N 3.09Å; E283-G286 CarbonylContact O-C 3.5Å; E283-G286 WeakPolarHBondContact O-CA 3.36Å; E283-G286 PolarHBondContact O-N 3.29Å; E283-G286 VanDerWaalsContact O-N 3.1Å; G286-A288 VanDerWaalsContact C-N 3.31Å; G286-A288 PolarHBondContact O-N 3.03Å; G286-H289 WeakPolarHBondContact O-CB 3.16Å; G286-H289 PolarHBondContact O-N 3.02Å |
| 287 | M | 87.8 | Confident | 88.4 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 176.3 | -72.2 | -177.1 | 177.8 | 0 | 0 | 112.4 | Y37 F79 Y108 E283 T284 L285 H289 C290 | Y37-M287 HydrophobicContact CD1-SD 4.35Å; Y37-M287 HydrophobicContact CE1-SD 3.55Å; Y37-M287 VanDerWaalsContact CE1-SD 3.55Å; Y37-M287 HydrophobicContact CE2-SD 4.06Å; Y37-M287 PolarHBondContact OH-SD 3.12Å; F79-M287 HydrophobicContact CE1-CB 3.98Å; F79-M287 HydrophobicContact CE1-CG 3.79Å; F79-M287 HydrophobicContact CZ-CB 4.34Å; F79-M287 HydrophobicContact CZ-CG 3.76Å; Y108-M287 HydrophobicContact CE2-CE 3.77Å; E283-M287 HydrophobicContact CG-CE 3.99Å; E283-M287 WeakPolarHBondContact O-CG 3.28Å; E283-M287 PolarHBondContact O-N 2.79Å; T284-M287 PolarHBondContact O-N 3.4Å; L285-M287 VanDerWaalsContact C-N 3.31Å; L285-M287 PolarHBondContact O-N 3.29Å; M287-H289 PolarHBondContact O-N 2.94Å; M287-H289 VanDerWaalsContact O-N 3.16Å; M287-C290 PolarHBondContact O-N 3.43Å; M287-C290 PolarHBondContact O-SG 3.29Å |
| 288 | A | 90.5 | Very high | 88.1 | Confident | 19 Ų | 19 | 29 Ų | 29 | 16% | 0.157 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -20.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V40 F247 T284 L285 G286 C290 C291 | V40-A288 HydrophobicContact CG2-CB 4.07Å; F247-A288 HydrophobicContact CD1-CB 4.44Å; F247-A288 HydrophobicContact CE1-CB 4.15Å; T284-A288 PolarHBondContact O-N 2.87Å; T284-A288 VanDerWaalsContact O-N 3.09Å; L285-A288 WeakPolarHBondContact O-CB 3.31Å; L285-A288 PolarHBondContact O-N 3.44Å; L285-A288 VanDerWaalsContact O-N 3.1Å; G286-A288 VanDerWaalsContact C-N 3.31Å; G286-A288 PolarHBondContact O-N 3.03Å; A288-C290 PolarHBondContact O-N 3.2Å; A288-C291 PolarHBondContact O-N 2.86Å; A288-C291 PolarHBondContact O-SG 2.86Å |
| 289 | H | 92.6 | Very high | 87.5 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.6 | -36.3 | 178.5 | 178.3 | -98 | 0 | 0 | 0 | 113.3 | Y244 F247 W248 G286 M287 C291 I292 | Y244-H289 WeakPolarHBondContact CA-NE2 3.48Å; Y244-H289 AromaticContact CD2-CE1 3.85Å; Y244-H289 AromaticContact CD2-NE2 3.94Å; F247-H289 HydrophobicContact CB-CB 3.9Å; F247-H289 HydrophobicContact CD1-CB 3.93Å; F247-H289 HydrophobicContact CG-CB 4.15Å; W248-H289 AromaticContact CD1-CG 3.86Å; W248-H289 AromaticContact NE1-CG 3.55Å; W248-H289 AromaticContact NE1-ND1 3.61Å; G286-H289 WeakPolarHBondContact O-CB 3.16Å; G286-H289 PolarHBondContact O-N 3.02Å; M287-H289 PolarHBondContact O-N 2.94Å; M287-H289 VanDerWaalsContact O-N 3.16Å; H289-C291 PolarHBondContact O-N 2.87Å; H289-C291 VanDerWaalsContact O-N 3.1Å; H289-I292 WeakPolarHBondContact O-CB 3.31Å; H289-I292 PolarHBondContact O-N 3.3Å |
| 290 | C | 89.6 | Confident | 86.7 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.2 | -21.1 | -175.3 | 67.1 | 0 | 0 | 0 | 0 | 113.9 | N48 D76 F79 L80 M287 A288 | N48-C290 PolarHBondContact ND2-O 2.95Å; D76-C290 HydrophobicContact CB-CB 4.27Å; F79-C290 HydrophobicContact CD1-CB 4.2Å; L80-C290 WeakPolarHBondContact CD2-SG 3.42Å; L80-C290 HydrophobicContact CG-CB 4.26Å; M287-C290 PolarHBondContact O-N 3.43Å; M287-C290 PolarHBondContact O-SG 3.29Å; A288-C290 PolarHBondContact O-N 3.2Å |
| 291 | C | 90.3 | Very high | 86.1 | Confident | 15 Ų | 15 | 32.4 Ų | 32.4 | 10% | 0.101 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -93.6 | -9.6 | 175.4 | 74.3 | 0 | 0 | 0 | 0 | 113.7 | F43 G44 A288 H289 | F43-C291 HydrophobicContact CB-CB 4.36Å; G44-C291 VanDerWaalsContact CA-CB 3.5Å; A288-C291 PolarHBondContact O-N 2.86Å; A288-C291 PolarHBondContact O-SG 2.86Å; H289-C291 PolarHBondContact O-N 2.87Å; H289-C291 VanDerWaalsContact O-N 3.1Å |
| 292 | I | 90.6 | Very high | 85.2 | Confident | 35 Ų | 35 | 31.2 Ų | 31.2 | 18% | 0.179 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -82 | -29.2 | -176.4 | -53.5 | -60.1 | 0 | 0 | 0 | 112 | V243 F247 H289 I295 I296 | V243-I292 HydrophobicContact CG1-CB 4.43Å; V243-I292 HydrophobicContact CG1-CG2 3.71Å; F247-I292 HydrophobicContact CE1-CD1 4.26Å; F247-I292 HydrophobicContact CE1-CG1 3.79Å; F247-I292 HydrophobicContact CZ-CD1 4.1Å; F247-I292 HydrophobicContact CZ-CG1 3.8Å; H289-I292 WeakPolarHBondContact O-CB 3.31Å; H289-I292 PolarHBondContact O-N 3.3Å; I292-I295 HydrophobicContact CD1-CD1 4.23Å; I292-I295 WeakPolarHBondContact O-CA 3.42Å; I292-I295 WeakPolarHBondContact O-CB 3.39Å; I292-I295 PolarHBondContact O-N 3.46Å; I292-I296 HydrophobicContact CG2-CD1 3.93Å; I292-I296 HydrophobicContact CG2-CG1 3.96Å; I292-I296 WeakPolarHBondContact O-CG1 3.35Å; I292-I296 PolarHBondContact O-N 3.24Å |
| 293 | N | 87.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55 | -51.2 | -179.7 | -76.8 | -30.6 | 0 | 0 | 0 | 113.3 | D76 I295 I296 Y297 | D76-N293 PolarHBondContact OD2-ND2 3.25Å; N293-I295 VanDerWaalsContact C-N 3.29Å; N293-I295 PolarHBondContact O-N 2.91Å; N293-I296 PolarHBondContact O-N 2.83Å; N293-Y297 HydrophobicContact CB-CE2 4.29Å; N293-Y297 WeakPolarHBondContact O-CD1 3.17Å; N293-Y297 VanDerWaalsContact O-CD2 3.31Å; N293-Y297 WeakPolarHBondContact O-CD2 3.2Å; N293-Y297 VanDerWaalsContact O-CG 3.23Å; N293-Y297 PolarHBondContact O-N 3Å |
| 294 | P | 86.8 | Confident | 83.2 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 7% | 0.071 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.2 | -37.4 | 173.6 | -25.7 | 34.4 | 0 | 0 | 0 | 113.9 | G47 N48 V51 Y297 A298 | G47-P294 VanDerWaalsContact C-CG 3.41Å; N48-P294 WeakPolarHBondContact OD1-CG 3.33Å; V51-P294 HydrophobicContact CG2-CB 4.05Å; V51-P294 HydrophobicContact CG2-CG 4.16Å; P294-Y297 PolarHBondContact O-N 2.98Å; P294-A298 PolarHBondContact O-N 3.29Å |
| 295 | I | 86.6 | Confident | 82.6 | Confident | 78 Ų | 78 | 41.6 Ų | 41.6 | 40% | 0.4 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.2 | -48.3 | 177.6 | -63 | 175.7 | 0 | 0 | 0 | 109.5 | I292 N293 Y297 A298 F299 | I292-I295 HydrophobicContact CD1-CD1 4.23Å; I292-I295 WeakPolarHBondContact O-CA 3.42Å; I292-I295 WeakPolarHBondContact O-CB 3.39Å; I292-I295 PolarHBondContact O-N 3.46Å; N293-I295 VanDerWaalsContact C-N 3.29Å; N293-I295 PolarHBondContact O-N 2.91Å; I295-Y297 VanDerWaalsContact C-N 3.25Å; I295-Y297 PolarHBondContact O-N 3.44Å; I295-A298 PolarHBondContact O-N 3.36Å; I295-A298 VanDerWaalsContact O-N 3.13Å; I295-F299 HydrophobicContact CG2-CD2 3.63Å; I295-F299 HydrophobicContact CG2-CE2 3.76Å; I295-F299 VanDerWaalsContact O-CD2 3.23Å; I295-F299 WeakPolarHBondContact O-CD2 3.39Å; I295-F299 PolarHBondContact O-N 3.38Å |
| 296 | I | 84.9 | Confident | 81.9 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.6 | -43.1 | 175.5 | -64.7 | 168.4 | 0 | 0 | 0 | 110.3 | L236 T239 I240 V243 I292 N293 A298 F299 V300 | L236-I296 HydrophobicContact CD1-CG2 3.87Å; T239-I296 HydrophobicContact CG2-CG2 4.14Å; I240-I296 HydrophobicContact CG1-CD1 4.34Å; I240-I296 HydrophobicContact CG1-CG2 3.86Å; V243-I296 HydrophobicContact CB-CD1 3.96Å; V243-I296 HydrophobicContact CG1-CD1 4Å; V243-I296 HydrophobicContact CG2-CD1 4.01Å; I292-I296 HydrophobicContact CG2-CD1 3.93Å; I292-I296 HydrophobicContact CG2-CG1 3.96Å; I292-I296 WeakPolarHBondContact O-CG1 3.35Å; I292-I296 PolarHBondContact O-N 3.24Å; N293-I296 PolarHBondContact O-N 2.83Å; I296-A298 PolarHBondContact O-N 3.35Å; I296-F299 PolarHBondContact O-N 2.73Å; I296-V300 HydrophobicContact CG2-CB 4.26Å; I296-V300 HydrophobicContact CG2-CG2 4.1Å; I296-V300 WeakPolarHBondContact O-CA 3.46Å; I296-V300 VanDerWaalsContact O-CB 3.23Å; I296-V300 WeakPolarHBondContact O-CB 3.15Å; I296-V300 WeakPolarHBondContact O-CG2 3.37Å; I296-V300 PolarHBondContact O-N 2.92Å |
| 297 | Y | 81.3 | Confident | 81 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -39.1 | 179.1 | -55.4 | -26.5 | 0 | 0 | 0 | 112.7 | V51 L69 L72 L236 I240 N293 P294 I295 G301 | V51-Y297 HydrophobicContact CG1-CD2 4.28Å; V51-Y297 HydrophobicContact CG1-CE2 4.22Å; V51-Y297 HydrophobicContact CG2-CD2 3.8Å; V51-Y297 HydrophobicContact CG2-CE2 4.28Å; L69-Y297 HydrophobicContact CD2-CE1 3.97Å; L69-Y297 HydrophobicContact CD2-CE2 4.49Å; L69-Y297 WeakPolarHBondContact CD2-OH 3.43Å; L72-Y297 WeakPolarHBondContact CD2-OH 3.46Å; L236-Y297 HydrophobicContact CD1-CD1 4.37Å; I240-Y297 HydrophobicContact CD1-CE1 3.67Å; I240-Y297 HydrophobicContact CG1-CE1 4.3Å; N293-Y297 HydrophobicContact CB-CE2 4.29Å; N293-Y297 WeakPolarHBondContact O-CD1 3.17Å; N293-Y297 VanDerWaalsContact O-CD2 3.31Å; N293-Y297 WeakPolarHBondContact O-CD2 3.2Å; N293-Y297 VanDerWaalsContact O-CG 3.23Å; N293-Y297 PolarHBondContact O-N 3Å; P294-Y297 PolarHBondContact O-N 2.98Å; I295-Y297 VanDerWaalsContact C-N 3.25Å; I295-Y297 PolarHBondContact O-N 3.44Å; Y297-G301 WeakPolarHBondContact O-CA 3.45Å; Y297-G301 PolarHBondContact O-N 2.89Å |
| 298 | A | 77.9 | Confident | 80.5 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 26% | 0.256 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P294 I295 I296 L308 | P294-A298 PolarHBondContact O-N 3.29Å; I295-A298 PolarHBondContact O-N 3.36Å; I295-A298 VanDerWaalsContact O-N 3.13Å; I296-A298 PolarHBondContact O-N 3.35Å; A298-L308 HydrophobicContact CB-CD1 4.44Å |
| 299 | F | 75 | Confident | 79.9 | Confident | 168 Ų | 168 | 50.9 Ų | 50.9 | 74% | 0.737 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -90.1 | -38.5 | -175.6 | -72.3 | -73.7 | 0 | 0 | 0 | 113.8 | I295 I296 | I295-F299 HydrophobicContact CG2-CD2 3.63Å; I295-F299 HydrophobicContact CG2-CE2 3.76Å; I295-F299 VanDerWaalsContact O-CD2 3.23Å; I295-F299 WeakPolarHBondContact O-CD2 3.39Å; I295-F299 PolarHBondContact O-N 3.38Å; I296-F299 PolarHBondContact O-N 2.73Å |
| 300 | V | 71.9 | Confident | 79.2 | Confident | 32 Ų | 32 | 54 Ų | 54 | 19% | 0.194 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -98.6 | -27.1 | -174.1 | -171 | 0 | 0 | 0 | 0 | 111.8 | L236 T239 I296 E302 | L236-V300 HydrophobicContact CB-CG1 4.21Å; L236-V300 HydrophobicContact CD1-CB 3.73Å; L236-V300 HydrophobicContact CD1-CG1 3.74Å; T239-V300 HydrophobicContact CG2-CG2 4.33Å; I296-V300 HydrophobicContact CG2-CB 4.26Å; I296-V300 HydrophobicContact CG2-CG2 4.1Å; I296-V300 WeakPolarHBondContact O-CA 3.46Å; I296-V300 VanDerWaalsContact O-CB 3.23Å; I296-V300 WeakPolarHBondContact O-CB 3.15Å; I296-V300 WeakPolarHBondContact O-CG2 3.37Å; I296-V300 PolarHBondContact O-N 2.92Å; V300-E302 PolarHBondContact O-N 3.44Å |
| 301 | G | 70.8 | Confident | 78.6 | Confident | 10 Ų | 10 | 55 Ų | 55 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | trans | -91.1 | 88.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | Y297 K303 F304 R305 | Y297-G301 WeakPolarHBondContact O-CA 3.45Å; Y297-G301 PolarHBondContact O-N 2.89Å; G301-K303 VanDerWaalsContact C-N 3.25Å; G301-K303 PolarHBondContact O-N 3.06Å; G301-K303 VanDerWaalsContact O-N 3.17Å; G301-F304 WeakPolarHBondContact O-CB 3.36Å; G301-F304 PolarHBondContact O-N 3.4Å; G301-R305 PolarHBondContact O-N 3.23Å | ||
| 302 | E | 71 | Confident | 78.1 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -52.8 | -40.8 | 176.9 | -70.2 | 176 | 179.8 | 0 | 0 | 113.5 | R232 V300 N306 | R232-E302 WeakPolarHBondContact CD-OE2 3.5Å; R232-E302 IonicContact CZ-OE1 3.45Å; R232-E302 VanDerWaalsContact CZ-OE1 3.29Å; R232-E302 IonicContact CZ-OE2 3.44Å; R232-E302 IonicContact NE-OE1 2.83Å; R232-E302 PolarHBondContact NE-OE1 3.45Å; R232-E302 IonicContact NE-OE2 3.95Å; R232-E302 VanDerWaalsContact NH1-CD 3.35Å; R232-E302 IonicContact NH1-OE1 3.37Å; R232-E302 PolarHBondContact NH1-OE1 2.94Å; R232-E302 IonicContact NH1-OE2 3.94Å; R232-E302 PolarHBondContact NH1-OE2 3.09Å; R232-E302 IonicContact NH2-OE1 2.6Å; V300-E302 PolarHBondContact O-N 3.44Å; E302-N306 PolarHBondContact O-N 3.49Å; E302-N306 VanDerWaalsContact O-N 3.14Å |
| 303 | K | 69.5 | Low | 77.4 | Confident | 133 Ų | 133 | 63.2 Ų | 63.2 | 58% | 0.578 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 176.4 | -70.3 | -173.6 | -179.9 | -178.2 | 0 | 111.3 | G301 N306 Y307 | G301-K303 VanDerWaalsContact C-N 3.25Å; G301-K303 PolarHBondContact O-N 3.06Å; G301-K303 VanDerWaalsContact O-N 3.17Å; K303-N306 PolarHBondContact O-N 3.15Å; K303-Y307 HydrophobicContact CB-CE2 4.22Å; K303-Y307 WeakPolarHBondContact O-CD2 3.41Å; K303-Y307 WeakPolarHBondContact O-CE2 3.36Å; K303-Y307 PolarHBondContact O-N 3.45Å; K303-Y307 VanDerWaalsContact O-N 3.15Å |
| 304 | F | 69.6 | Low | 76.7 | Confident | 26 Ų | 26 | 69.9 Ų | 69.9 | 11% | 0.114 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.2 | -46.2 | -179.3 | -175.8 | -102.7 | 0 | 0 | 0 | 110.2 | V51 I54 G301 N306 Y307 L308 | V51-F304 HydrophobicContact CB-CE2 4.39Å; V51-F304 HydrophobicContact CB-CZ 4.45Å; V51-F304 HydrophobicContact CG1-CE2 4.5Å; V51-F304 HydrophobicContact CG2-CE2 3.94Å; V51-F304 HydrophobicContact CG2-CZ 3.63Å; I54-F304 HydrophobicContact CB-CE2 4.25Å; I54-F304 HydrophobicContact CD1-CE2 3.81Å; I54-F304 HydrophobicContact CD1-CZ 3.8Å; I54-F304 HydrophobicContact CG2-CD2 4.31Å; I54-F304 HydrophobicContact CG2-CE2 4.11Å; G301-F304 WeakPolarHBondContact O-CB 3.36Å; G301-F304 PolarHBondContact O-N 3.4Å; F304-N306 VanDerWaalsContact C-N 3.33Å; F304-N306 PolarHBondContact O-N 2.73Å; F304-Y307 PolarHBondContact O-N 2.82Å; F304-Y307 VanDerWaalsContact O-N 3.08Å; F304-L308 HydrophobicContact CD1-CD1 3.88Å; F304-L308 HydrophobicContact CE1-CD1 3.41Å; F304-L308 VanDerWaalsContact CE1-CD1 3.41Å; F304-L308 HydrophobicContact CE1-CG 4.16Å; F304-L308 HydrophobicContact CZ-CD1 4.19Å; F304-L308 WeakPolarHBondContact O-CB 3.29Å; F304-L308 PolarHBondContact O-N 3.47Å |
| 305 | R | 76.5 | Confident | 75.9 | Confident | 133 Ų | 133 | 73.2 Ų | 73.2 | 50% | 0.502 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.3 | -43.9 | 175.7 | -168.9 | 177.2 | 69.5 | -173.3 | 3.2 | 113 | G301 Y307 L308 L309 | G301-R305 PolarHBondContact O-N 3.23Å; R305-Y307 PolarHBondContact O-N 3.38Å; R305-L308 WeakPolarHBondContact O-CB 3.01Å; R305-L308 PolarHBondContact O-N 3.45Å; R305-L309 WeakPolarHBondContact O-CG 3.33Å; R305-L309 PolarHBondContact O-N 3.27Å |
| 306 | N | 77.1 | Confident | 75.1 | Confident | 94 Ų | 94 | 72.3 Ų | 72.3 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 177.1 | -71.9 | -3.1 | 0 | 0 | 0 | 112 | E302 K303 F304 L308 L309 V310 | E302-N306 PolarHBondContact O-N 3.49Å; E302-N306 VanDerWaalsContact O-N 3.14Å; K303-N306 PolarHBondContact O-N 3.15Å; F304-N306 VanDerWaalsContact C-N 3.33Å; F304-N306 PolarHBondContact O-N 2.73Å; N306-L308 VanDerWaalsContact C-N 3.35Å; N306-L309 PolarHBondContact O-N 3.19Å; N306-V310 WeakPolarHBondContact O-CG2 3.25Å; N306-V310 PolarHBondContact O-N 3Å |
| 307 | Y | 74.4 | Confident | 74.1 | Confident | 77 Ų | 77 | 73.8 Ų | 73.8 | 30% | 0.302 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 174.5 | -65.1 | -58.1 | 0 | 0 | 0 | 112.6 | I54 C58 K59 K303 F304 R305 L309 V310 F311 | I54-Y307 HydrophobicContact CG2-CG 4.34Å; C58-Y307 HydrophobicContact CB-CD1 4.23Å; K59-Y307 HydrophobicContact CD-CE2 4.34Å; K59-Y307 HydrophobicContact CG-CE2 4.35Å; K303-Y307 HydrophobicContact CB-CE2 4.22Å; K303-Y307 WeakPolarHBondContact O-CD2 3.41Å; K303-Y307 WeakPolarHBondContact O-CE2 3.36Å; K303-Y307 PolarHBondContact O-N 3.45Å; K303-Y307 VanDerWaalsContact O-N 3.15Å; F304-Y307 PolarHBondContact O-N 2.82Å; F304-Y307 VanDerWaalsContact O-N 3.08Å; R305-Y307 PolarHBondContact O-N 3.38Å; Y307-L309 VanDerWaalsContact C-N 3.33Å; Y307-V310 PolarHBondContact O-N 2.95Å; Y307-F311 VanDerWaalsContact O-CB 3.29Å; Y307-F311 WeakPolarHBondContact O-CB 3.12Å; Y307-F311 PolarHBondContact O-N 2.94Å |
| 308 | L | 76.1 | Confident | 72.9 | Confident | 24 Ų | 24 | 80.7 Ų | 80.7 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 174.9 | -132.8 | 171 | 0 | 0 | 0 | 110.1 | L50 I54 A298 F304 R305 N306 F311 F312 | L50-L308 HydrophobicContact CD2-CD2 3.98Å; L50-L308 HydrophobicContact CD2-CG 4.32Å; I54-L308 HydrophobicContact CD1-CB 4.28Å; I54-L308 HydrophobicContact CD1-CG 3.81Å; A298-L308 HydrophobicContact CB-CD1 4.44Å; F304-L308 HydrophobicContact CD1-CD1 3.88Å; F304-L308 HydrophobicContact CE1-CD1 3.41Å; F304-L308 VanDerWaalsContact CE1-CD1 3.41Å; F304-L308 HydrophobicContact CE1-CG 4.16Å; F304-L308 HydrophobicContact CZ-CD1 4.19Å; F304-L308 WeakPolarHBondContact O-CB 3.29Å; F304-L308 PolarHBondContact O-N 3.47Å; R305-L308 WeakPolarHBondContact O-CB 3.01Å; R305-L308 PolarHBondContact O-N 3.45Å; N306-L308 VanDerWaalsContact C-N 3.35Å; L308-F311 PolarHBondContact O-N 3.39Å; L308-F312 HydrophobicContact CD2-CD2 3.3Å; L308-F312 HydrophobicContact CD2-CE2 3.06Å; L308-F312 HydrophobicContact CD2-CZ 4.22Å; L308-F312 WeakPolarHBondContact O-CB 3.3Å; L308-F312 VanDerWaalsContact O-CD2 3.24Å; L308-F312 WeakPolarHBondContact O-CD2 3.28Å; L308-F312 PolarHBondContact O-N 3.16Å |
| 309 | L | 77.4 | Confident | 71.8 | Confident | 92 Ų | 92 | 88.8 Ų | 88.8 | 48% | 0.482 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 174.6 | -73 | 168.8 | 0 | 0 | 0 | 112.4 | R305 N306 Y307 F311 F312 Q313 | R305-L309 WeakPolarHBondContact O-CG 3.33Å; R305-L309 PolarHBondContact O-N 3.27Å; N306-L309 PolarHBondContact O-N 3.19Å; Y307-L309 VanDerWaalsContact C-N 3.33Å; L309-F311 VanDerWaalsContact C-N 3.33Å; L309-F311 PolarHBondContact O-N 2.06Å; L309-F312 PolarHBondContact O-N 2.95Å; L309-Q313 WeakPolarHBondContact O-CB 3.21Å; L309-Q313 VanDerWaalsContact O-CG 3.28Å; L309-Q313 WeakPolarHBondContact O-CG 3.43Å; L309-Q313 PolarHBondContact O-N 3.3Å |
| 310 | V | 78.4 | Confident | 70.8 | Confident | 75 Ų | 75 | 87.7 Ų | 87.7 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 177.3 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | N306 Y307 Q313 K314 | N306-V310 WeakPolarHBondContact O-CG2 3.25Å; N306-V310 PolarHBondContact O-N 3Å; Y307-V310 PolarHBondContact O-N 2.95Å; V310-Q313 PolarHBondContact O-N 2.78Å; V310-K314 VanDerWaalsContact O-CB 3.22Å; V310-K314 WeakPolarHBondContact O-CB 3.36Å; V310-K314 PolarHBondContact O-N 3.19Å |
| 311 | F | 76.6 | Confident | 69.6 | Low | 23 Ų | 23 | 89.3 Ų | 89.3 | 10% | 0.101 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 176.1 | -178.8 | -93.4 | 0 | 0 | 0 | 111.1 | L50 I54 Y307 L308 L309 Q313 K314 H315 I316 | L50-F311 HydrophobicContact CD1-CD1 3.87Å; L50-F311 HydrophobicContact CD1-CE1 3.69Å; L50-F311 HydrophobicContact CD1-CZ 4.36Å; I54-F311 HydrophobicContact CG1-CB 4.34Å; I54-F311 HydrophobicContact CG1-CG 4.34Å; Y307-F311 VanDerWaalsContact O-CB 3.29Å; Y307-F311 WeakPolarHBondContact O-CB 3.12Å; Y307-F311 PolarHBondContact O-N 2.94Å; L308-F311 PolarHBondContact O-N 3.39Å; L309-F311 VanDerWaalsContact C-N 3.33Å; L309-F311 PolarHBondContact O-N 2.06Å; F311-Q313 PolarHBondContact O-N 2.9Å; F311-K314 PolarHBondContact O-N 3.21Å; F311-H315 AromaticContact CD2-CD2 3.63Å; F311-H315 AromaticContact CE2-CD2 3.68Å; F311-H315 HydrophobicContact CZ-CB 4.4Å; F311-H315 WeakPolarHBondContact O-CB 3.27Å; F311-H315 PolarHBondContact O-N 3.18Å; F311-I316 HydrophobicContact CE1-CD1 4.37Å |
| 312 | F | 79.7 | Confident | 68.4 | Low | 96 Ų | 96 | 97.9 Ų | 97.9 | 42% | 0.421 | 45% | 0.453 | S | S | . | . | I | π-helix | trans | -57.2 | -48.3 | 173.9 | -90.8 | -68.8 | 0 | 0 | 0 | 111.2 | L308 L309 K314 I316 A317 | L308-F312 HydrophobicContact CD2-CD2 3.3Å; L308-F312 HydrophobicContact CD2-CE2 3.06Å; L308-F312 HydrophobicContact CD2-CZ 4.22Å; L308-F312 WeakPolarHBondContact O-CB 3.3Å; L308-F312 VanDerWaalsContact O-CD2 3.24Å; L308-F312 WeakPolarHBondContact O-CD2 3.28Å; L308-F312 PolarHBondContact O-N 3.16Å; L309-F312 PolarHBondContact O-N 2.95Å; F312-K314 PolarHBondContact O-N 3.23Å; F312-I316 HydrophobicContact CD1-CB 3.89Å; F312-I316 HydrophobicContact CD1-CD1 3.26Å; F312-I316 HydrophobicContact CD1-CG1 4.1Å; F312-I316 HydrophobicContact CD1-CG2 4Å; F312-I316 HydrophobicContact CE1-CD1 3.29Å; F312-I316 HydrophobicContact CE1-CG1 4.47Å; F312-I316 HydrophobicContact CE1-CG2 4.41Å; F312-I316 HydrophobicContact CG-CD1 4.22Å; F312-I316 HydrophobicContact CZ-CD1 4.29Å; F312-I316 CarbonylContact O-C 3.5Å; F312-I316 WeakPolarHBondContact O-CA 3.18Å; F312-I316 WeakPolarHBondContact O-CB 3.22Å; F312-I316 PolarHBondContact O-N 3.35Å; F312-A317 PolarHBondContact O-N 2.9Å |
| 313 | Q | 76.6 | Confident | 67.1 | Low | 127 Ų | 127 | 99.6 Ų | 99.6 | 59% | 0.593 | 47% | 0.472 | S | S | * | . | I | π-helix | trans | -61.4 | -44.8 | 178.6 | -73.8 | 171.4 | -9.8 | 0 | 0 | 112.4 | L309 V310 F311 K318 | L309-Q313 WeakPolarHBondContact O-CB 3.21Å; L309-Q313 VanDerWaalsContact O-CG 3.28Å; L309-Q313 WeakPolarHBondContact O-CG 3.43Å; L309-Q313 PolarHBondContact O-N 3.3Å; V310-Q313 PolarHBondContact O-N 2.78Å; F311-Q313 PolarHBondContact O-N 2.9Å; Q313-K318 PolarHBondContact O-N 3.37Å |
| 314 | K | 72.6 | Confident | 65.7 | Low | 140 Ų | 140 | 97 Ų | 97 | 61% | 0.609 | 47% | 0.47 | S | S | * | . | I | π-helix | trans | -75.7 | -38.3 | -173.9 | -171.3 | 176.9 | 179.7 | -177.2 | 0 | 113.7 | V310 F311 F312 K318 | V310-K314 VanDerWaalsContact O-CB 3.22Å; V310-K314 WeakPolarHBondContact O-CB 3.36Å; V310-K314 PolarHBondContact O-N 3.19Å; F311-K314 PolarHBondContact O-N 3.21Å; F312-K314 PolarHBondContact O-N 3.23Å; K314-K318 WeakPolarHBondContact O-CB 3.4Å |
| 315 | H | 70.7 | Confident | 64 | Low | 81 Ų | 81 | 101.3 Ų | 101.3 | 38% | 0.375 | 50% | 0.503 | S | S | . | . | I | π-helix | trans | -110 | -30.8 | -170.3 | -69.4 | -79.8 | 0 | 0 | 0 | 114.1 | F311 R319 | F311-H315 AromaticContact CD2-CD2 3.63Å; F311-H315 AromaticContact CE2-CD2 3.68Å; F311-H315 HydrophobicContact CZ-CB 4.4Å; F311-H315 WeakPolarHBondContact O-CB 3.27Å; F311-H315 PolarHBondContact O-N 3.18Å; H315-R319 WeakPolarHBondContact O-CG 3.29Å |
| 316 | I | 69.1 | Low | 62.4 | Low | 59 Ų | 59 | 102 Ų | 102 | 30% | 0.303 | 52% | 0.515 | S | S | . | . | I | π-helix | trans | -102.7 | -55.8 | -174.3 | -65.1 | 171.2 | 0 | 0 | 0 | 109.3 | F311 F312 K318 R319 F320 | F311-I316 HydrophobicContact CE1-CD1 4.37Å; F312-I316 HydrophobicContact CD1-CB 3.89Å; F312-I316 HydrophobicContact CD1-CD1 3.26Å; F312-I316 HydrophobicContact CD1-CG1 4.1Å; F312-I316 HydrophobicContact CD1-CG2 4Å; F312-I316 HydrophobicContact CE1-CD1 3.29Å; F312-I316 HydrophobicContact CE1-CG1 4.47Å; F312-I316 HydrophobicContact CE1-CG2 4.41Å; F312-I316 HydrophobicContact CG-CD1 4.22Å; F312-I316 HydrophobicContact CZ-CD1 4.29Å; F312-I316 CarbonylContact O-C 3.5Å; F312-I316 WeakPolarHBondContact O-CA 3.18Å; F312-I316 WeakPolarHBondContact O-CB 3.22Å; F312-I316 PolarHBondContact O-N 3.35Å; I316-K318 VanDerWaalsContact C-N 3.3Å; I316-K318 PolarHBondContact O-N 3.42Å; I316-R319 PolarHBondContact O-N 3.5Å; I316-F320 HydrophobicContact CG2-CD2 3.67Å; I316-F320 HydrophobicContact CG2-CE2 3.86Å; I316-F320 WeakPolarHBondContact O-CD2 3.28Å; I316-F320 PolarHBondContact O-N 3.29Å |
| 317 | A | 62.8 | Low | 60.5 | Low | 42 Ų | 42 | 106 Ų | 106 | 35% | 0.347 | 53% | 0.528 | S | S | . | . | I | π-helix | trans | -61.6 | -36.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F312 R319 F320 C321 | F312-A317 PolarHBondContact O-N 2.9Å; A317-R319 VanDerWaalsContact C-N 3.33Å; A317-R319 PolarHBondContact O-N 3.46Å; A317-F320 PolarHBondContact O-N 3.28Å; A317-C321 WeakPolarHBondContact O-CB 3.41Å; A317-C321 PolarHBondContact O-N 3.29Å; A317-C321 PolarHBondContact O-SG 3.33Å |
| 318 | K | 56.7 | Low | 58.9 | Low | 156 Ų | 156 | 111.2 Ų | 111.2 | 68% | 0.678 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.4 | -26 | 174.8 | -152.2 | 176 | -174.1 | 178.4 | 0 | 113.8 | Q313 K314 I316 K322 | Q313-K318 PolarHBondContact O-N 3.37Å; K314-K318 WeakPolarHBondContact O-CB 3.4Å; I316-K318 VanDerWaalsContact C-N 3.3Å; I316-K318 PolarHBondContact O-N 3.42Å; K318-K322 PolarHBondContact O-N 3.37Å |
| 319 | R | 55.9 | Low | 57.1 | Low | 200 Ų | 200 | 117.4 Ų | 117.4 | 76% | 0.755 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -80.8 | -41 | 172.2 | -89.2 | -177 | 171.7 | -177.1 | -2.7 | 111.6 | H315 I316 A317 K322 C323 | H315-R319 WeakPolarHBondContact O-CG 3.29Å; I316-R319 PolarHBondContact O-N 3.5Å; A317-R319 VanDerWaalsContact C-N 3.33Å; A317-R319 PolarHBondContact O-N 3.46Å; R319-K322 WeakPolarHBondContact O-CB 3.37Å; R319-K322 PolarHBondContact O-N 3.42Å; R319-C323 PolarHBondContact O-N 3.05Å |
| 320 | F | 52.5 | Low | 55.1 | Low | 146 Ų | 146 | 120.6 Ų | 120.6 | 64% | 0.64 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.1 | -35.3 | 175.4 | -85.2 | -83.2 | 0 | 0 | 0 | 112.8 | I316 A317 K322 C323 C324 | I316-F320 HydrophobicContact CG2-CD2 3.67Å; I316-F320 HydrophobicContact CG2-CE2 3.86Å; I316-F320 WeakPolarHBondContact O-CD2 3.28Å; I316-F320 PolarHBondContact O-N 3.29Å; A317-F320 PolarHBondContact O-N 3.28Å; F320-K322 PolarHBondContact O-N 2.97Å; F320-C323 CarbonylContact O-C 3.53Å; F320-C323 WeakPolarHBondContact O-CA 3.23Å; F320-C323 PolarHBondContact O-N 3.05Å; F320-C324 PolarHBondContact O-N 3.38Å |
| 321 | C | 46.9 | Very low | 53 | Low | 66 Ų | 66 | 121.1 Ų | 121.1 | 45% | 0.446 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.5 | -16.1 | 170 | -74.6 | 0 | 0 | 0 | 0 | 113.2 | A317 C323 | A317-C321 WeakPolarHBondContact O-CB 3.41Å; A317-C321 PolarHBondContact O-N 3.29Å; A317-C321 PolarHBondContact O-SG 3.33Å; C321-C323 VanDerWaalsContact C-N 3.32Å |
| 322 | K | 45.6 | Very low | 51.1 | Low | 189 Ų | 189 | 126.1 Ų | 126.1 | 82% | 0.822 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76.2 | -21.4 | 166.1 | -103.4 | -172.8 | 174.4 | -168.7 | 0 | 112.5 | K318 R319 F320 | K318-K322 PolarHBondContact O-N 3.37Å; R319-K322 WeakPolarHBondContact O-CB 3.37Å; R319-K322 PolarHBondContact O-N 3.42Å; F320-K322 PolarHBondContact O-N 2.97Å |
| 323 | C | 44.3 | Very low | 49 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 76% | 0.764 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -95.2 | -12.4 | 172.9 | -77.4 | 0 | 0 | 0 | 0 | 113.6 | R319 F320 C321 | R319-C323 PolarHBondContact O-N 3.05Å; F320-C323 CarbonylContact O-C 3.53Å; F320-C323 WeakPolarHBondContact O-CA 3.23Å; F320-C323 PolarHBondContact O-N 3.05Å; C321-C323 VanDerWaalsContact C-N 3.32Å |
| 324 | C | 40.8 | Very low | 47.2 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 53% | 0.534 | 68% | 0.681 | S | S | . | * | trans | -121.5 | 101.6 | 173.9 | -73.2 | 0 | 0 | 0 | 0 | 110.4 | F320 I326 | F320-C324 PolarHBondContact O-N 3.38Å; C324-I326 PolarHBondContact O-N 2.84Å | ||
| 325 | S | 32.8 | Very low | 45.4 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 36 | 177.2 | 60.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 326 | I | 43.7 | Very low | 43.9 | Very low | 148 Ų | 148 | 136 Ų | 136 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | -10.7 | -175 | -65.6 | -178.9 | 0 | 0 | 0 | 112.8 | C324 | C324-I326 PolarHBondContact O-N 2.84Š|
| 327 | F | 36.5 | Very low | 42.4 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | -116.3 | 35.8 | -178.4 | -119.6 | -84.3 | 0 | 0 | 0 | 114.6 | ||||
| 328 | Q | 41.7 | Very low | 41.4 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | -105.5 | 63.2 | 175.2 | -156.5 | 171.2 | -11.7 | 0 | 0 | 110.7 | ||||
| 329 | Q | 37.5 | Very low | 40.2 | Very low | 154 Ų | 154 | 146.6 Ų | 146.6 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -160.5 | 122.5 | 168.2 | -150.8 | 164.5 | -3.5 | 0 | 0 | 106.2 | ||||
| 330 | E | 34.7 | Very low | 39.4 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | cis | -149.9 | 144.2 | 11 | -110.9 | 152.5 | -152.4 | 0 | 0 | 106.5 | ||||
| 331 | A | 35.2 | Very low | 38.5 | Very low | 86 Ų | 86 | 146.6 Ų | 146.6 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -81.8 | 137.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | E333 | A331-E333 PolarHBondContact O-N 3.5Š| ||
| 332 | P | 37.6 | Very low | 37.7 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -71.6 | 115.2 | 171.8 | 28.3 | -29.7 | 0 | 0 | 0 | 108.5 | R334 | P332-R334 PolarHBondContact O-N 3.36Š| ||
| 333 | E | 34.7 | Very low | 37.2 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -58 | 129.8 | 173 | -72.1 | -174.9 | 154.4 | 0 | 0 | 110.3 | A331 A335 | A331-E333 PolarHBondContact O-N 3.5Å; E333-A335 PolarHBondContact O-N 3.35Å; E333-A335 VanDerWaalsContact O-N 3.12Å | ||
| 334 | R | 39.8 | Very low | 36.6 | Very low | 244 Ų | 244 | 143.7 Ų | 143.7 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -68 | 101.1 | 164 | -81 | 176.4 | 171.2 | 168.6 | -4.3 | 108.1 | P332 S336 | P332-R334 PolarHBondContact O-N 3.36Å; R334-S336 PolarHBondContact O-N 3.44Å | ||
| 335 | A | 34.8 | Very low | 36.3 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | -79.5 | 92.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | E333 | E333-A335 PolarHBondContact O-N 3.35Å; E333-A335 VanDerWaalsContact O-N 3.12Å | ||
| 336 | S | 39 | Very low | 36.4 | Very low | 111 Ų | 111 | 152.4 Ų | 152.4 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -90.7 | 113.6 | 155.9 | 51.3 | 0 | 0 | 0 | 0 | 108.3 | R334 | R334-S336 PolarHBondContact O-N 3.44Š| ||
| 337 | S | 37.1 | Very low | 35.9 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -148.5 | 130.5 | 147.4 | 67.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 338 | V | 41 | Very low | 35.8 | Very low | 127 Ų | 127 | 152.8 Ų | 152.8 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | -81.2 | 133.5 | 175.6 | 167.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 339 | Y | 33.1 | Very low | 35.5 | Very low | 232 Ų | 232 | 149.2 Ų | 149.2 | 91% | 0.91 | 81% | 0.811 | S | S | * | * | trans | -158.3 | 133.1 | 141.2 | -130.7 | -91.4 | 0 | 0 | 0 | 111.7 | ||||
| 340 | T | 37.3 | Very low | 35.4 | Very low | 118 Ų | 118 | 149 Ų | 149 | 72% | 0.724 | 82% | 0.82 | S | S | * | * | trans | -91.1 | 150.8 | -175.6 | -27 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 341 | R | 33.9 | Very low | 35.3 | Very low | 228 Ų | 228 | 144.8 Ų | 144.8 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | 147.5 | 120.9 | 119.4 | -170.5 | 166.2 | -170.5 | 174 | 4.7 | 114.8 | |||||
| 342 | S | 31.5 | Very low | 35.3 | Very low | 91 Ų | 91 | 152.5 Ų | 152.5 | 64% | 0.636 | 85% | 0.848 | S | S | * | * | trans | 62.9 | 138.8 | 139.2 | -155.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 343 | T | 34.6 | Very low | 35.2 | Very low | 139 Ų | 139 | 153.8 Ų | 153.8 | 85% | 0.853 | 85% | 0.849 | S | S | * | * | cis | -173.1 | 152.2 | 30.8 | -16.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 344 | G | 31.2 | Very low | 35.2 | Very low | 77 Ų | 77 | 151.9 Ų | 151.9 | 79% | 0.794 | 85% | 0.847 | S | S | * | * | trans | 139.8 | 65.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 345 | E | 34.4 | Very low | 35 | Very low | 205 Ų | 205 | 146.8 Ų | 146.8 | 96% | 0.958 | 84% | 0.843 | S | S | * | * | trans | -82 | 132.2 | 160.5 | -80.1 | 176.2 | 147.7 | 0 | 0 | 109.3 | ||||
| 346 | Q | 34.2 | Very low | 35 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 81% | 0.808 | 84% | 0.841 | S | S | * | * | trans | -104.8 | 124.1 | 175.1 | -122.4 | 173.2 | -30 | 0 | 0 | 109.8 | ||||
| 347 | E | 33.8 | Very low | 34.7 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 77% | 0.771 | 85% | 0.845 | S | S | * | * | trans | 67.9 | 110 | 145.8 | -69.2 | 173.1 | -168.1 | 0 | 0 | 121 | ||||
| 348 | I | 34.2 | Very low | 34.5 | Very low | 168 Ų | 168 | 153.6 Ų | 153.6 | 86% | 0.862 | 85% | 0.845 | S | S | * | * | trans | -110.8 | 123.1 | 151.7 | -67.9 | 175.4 | 0 | 0 | 0 | 107.9 | ||||
| 349 | S | 35.7 | Very low | 34.1 | Very low | 112 Ų | 112 | 155.5 Ų | 155.5 | 78% | 0.783 | 85% | 0.85 | S | S | * | * | trans | -79.6 | 130.2 | 167.8 | -46.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 350 | V | 35.1 | Very low | 34.2 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | trans | -160.3 | 134.3 | 142.3 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 351 | G | 33.6 | Very low | 33.9 | Very low | 71 Ų | 71 | 152.3 Ų | 152.3 | 73% | 0.732 | 86% | 0.855 | S | S | * | * | trans | 158.3 | 82.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 352 | L | 34.8 | Very low | 33.9 | Very low | 248 Ų | 248 | 145.4 Ų | 145.4 | 100% | 1.298 | 86% | 0.855 | S | S | * | * | trans | -146.5 | 0 | 135.2 | -121.6 | 153.5 | 0 | 0 | 0 | 109 |
Retrieved 352 of 352 residues in 389 ms
(Link to these results)