| 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 | 58.8 | Low | 82.5 | Confident | 217 Ų | 217 | 128.5 Ų | 128.5 | 100% | 1.069 | 61% | 0.612 | S | S | * | * | 0 | -30.7 | 0 | -82.2 | 179.9 | 171 | 0 | 0 | 115.3 | K5 | M1-K5 PolarHBondContact O-N 2.99Š| |||
| 2 | G | 75.4 | Confident | 82.7 | Confident | 59 Ų | 59 | 122.3 Ų | 122.3 | 61% | 0.608 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69 | -39.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | K5 F6 | G2-K5 PolarHBondContact O-N 2.69Å; G2-F6 PolarHBondContact O-N 2.71Å; G2-F6 VanDerWaalsContact O-N 3.11Å |
| 3 | R | 79.4 | Confident | 82.9 | Confident | 207 Ų | 207 | 125.9 Ų | 125.9 | 78% | 0.781 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.8 | -39.7 | 179.8 | -84.5 | -178.2 | 170.4 | 176.6 | -2.6 | 113 | F6 Y7 | R3-F6 PolarHBondContact O-N 3.26Å; R3-Y7 HydrophobicContact CB-CE2 4.39Å; R3-Y7 WeakPolarHBondContact O-CD2 3.39Å; R3-Y7 PolarHBondContact O-N 2.94Å |
| 4 | Q | 84 | Confident | 83.1 | Confident | 133 Ų | 133 | 128.9 Ų | 128.9 | 62% | 0.621 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.3 | -47.6 | 177.1 | -175.6 | -177.7 | 1.6 | 0 | 0 | 111.3 | F6 Y7 L8 | Q4-F6 VanDerWaalsContact C-N 3.31Å; Q4-F6 PolarHBondContact O-N 3.23Å; Q4-Y7 PolarHBondContact O-N 2.93Å; Q4-L8 HydrophobicContact CG-CD1 3.98Å; Q4-L8 HydrophobicContact CG-CG 4.43Å; Q4-L8 WeakPolarHBondContact O-CB 3.49Å; Q4-L8 VanDerWaalsContact O-CG 3.31Å; Q4-L8 WeakPolarHBondContact O-CG 3.29Å; Q4-L8 PolarHBondContact O-N 3.44Å |
| 5 | K | 84.4 | Confident | 83.3 | Confident | 141 Ų | 141 | 130 Ų | 130 | 61% | 0.613 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60 | -41.4 | 177.3 | -163.2 | 177.3 | -178 | 180 | 0 | 111.7 | M1 G2 L8 D9 | M1-K5 PolarHBondContact O-N 2.99Å; G2-K5 PolarHBondContact O-N 2.69Å; K5-L8 PolarHBondContact O-N 3.47Å; K5-D9 WeakPolarHBondContact O-CB 3.26Å; K5-D9 VanDerWaalsContact O-CG 3.25Å; K5-D9 PolarHBondContact O-N 2.91Å |
| 6 | F | 87.6 | Confident | 83.6 | Confident | 119 Ų | 119 | 129.3 Ų | 129.3 | 52% | 0.522 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.6 | -46.3 | 175.5 | 178 | -96.4 | 0 | 0 | 0 | 113.2 | G2 R3 Q4 D9 K10 | G2-F6 PolarHBondContact O-N 2.71Å; G2-F6 VanDerWaalsContact O-N 3.11Å; R3-F6 PolarHBondContact O-N 3.26Å; Q4-F6 VanDerWaalsContact C-N 3.31Å; Q4-F6 PolarHBondContact O-N 3.23Å; F6-D9 PolarHBondContact O-N 3.48Å; F6-K10 WeakPolarHBondContact O-CB 3.32Å; F6-K10 PolarHBondContact O-N 3Å |
| 7 | Y | 87.1 | Confident | 84 | Confident | 142 Ų | 142 | 125 Ų | 125 | 56% | 0.557 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.9 | -41 | 177.1 | -72.1 | -63.7 | 0 | 0 | 0 | 112 | R3 Q4 K10 L11 | R3-Y7 HydrophobicContact CB-CE2 4.39Å; R3-Y7 WeakPolarHBondContact O-CD2 3.39Å; R3-Y7 PolarHBondContact O-N 2.94Å; Q4-Y7 PolarHBondContact O-N 2.93Å; Y7-K10 PolarHBondContact O-N 3.33Å; Y7-L11 WeakPolarHBondContact O-CB 3.33Å; Y7-L11 VanDerWaalsContact O-CG 3.29Å; Y7-L11 WeakPolarHBondContact O-CG 3.35Å; Y7-L11 PolarHBondContact O-N 3.46Å |
| 8 | L | 88.1 | Confident | 84.3 | Confident | 97 Ų | 97 | 131.3 Ų | 131.3 | 51% | 0.508 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.2 | -42.8 | 175.1 | -71.5 | 174.6 | 0 | 0 | 0 | 111.8 | Q4 K5 K10 L11 A12 | Q4-L8 HydrophobicContact CG-CD1 3.98Å; Q4-L8 HydrophobicContact CG-CG 4.43Å; Q4-L8 WeakPolarHBondContact O-CB 3.49Å; Q4-L8 VanDerWaalsContact O-CG 3.31Å; Q4-L8 WeakPolarHBondContact O-CG 3.29Å; Q4-L8 PolarHBondContact O-N 3.44Å; K5-L8 PolarHBondContact O-N 3.47Å; L8-K10 VanDerWaalsContact C-N 3.31Å; L8-K10 PolarHBondContact O-N 2.92Å; L8-L11 PolarHBondContact O-N 2.98Å; L8-A12 WeakPolarHBondContact O-CB 3.29Å; L8-A12 PolarHBondContact O-N 3.26Å |
| 9 | D | 88.1 | Confident | 84.7 | Confident | 74 Ų | 74 | 129.4 Ų | 129.4 | 40% | 0.396 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.6 | -32.5 | 177.2 | -74.2 | -15.1 | 0 | 0 | 0 | 112.3 | K5 F6 R13 | K5-D9 WeakPolarHBondContact O-CB 3.26Å; K5-D9 VanDerWaalsContact O-CG 3.25Å; K5-D9 PolarHBondContact O-N 2.91Å; F6-D9 PolarHBondContact O-N 3.48Å; D9-R13 WeakPolarHBondContact O-CB 3.45Å; D9-R13 WeakPolarHBondContact O-CG 3.4Å; D9-R13 PolarHBondContact O-N 3.47Å; D9-R13 VanDerWaalsContact O-N 3.09Å; D9-R13 PolarHBondContact O-NE 3.39Å |
| 10 | K | 87.7 | Confident | 85.1 | Confident | 134 Ų | 134 | 127.5 Ų | 127.5 | 58% | 0.583 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.7 | -45.3 | 174.9 | -168.2 | 176.5 | -177.8 | -178.8 | 0 | 110.9 | F6 Y7 L8 R13 F14 | F6-K10 WeakPolarHBondContact O-CB 3.32Å; F6-K10 PolarHBondContact O-N 3Å; Y7-K10 PolarHBondContact O-N 3.33Å; L8-K10 VanDerWaalsContact C-N 3.31Å; L8-K10 PolarHBondContact O-N 2.92Å; K10-R13 PolarHBondContact O-N 3.47Å; K10-F14 WeakPolarHBondContact O-CB 3.37Å; K10-F14 PolarHBondContact O-N 3.36Å |
| 11 | L | 86.8 | Confident | 85.5 | Confident | 90 Ų | 90 | 122.9 Ų | 122.9 | 47% | 0.471 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.8 | -44.2 | 175.2 | -71.1 | 168.3 | 0 | 0 | 0 | 111.2 | Y7 L8 R13 F14 F15 | Y7-L11 WeakPolarHBondContact O-CB 3.33Å; Y7-L11 VanDerWaalsContact O-CG 3.29Å; Y7-L11 WeakPolarHBondContact O-CG 3.35Å; Y7-L11 PolarHBondContact O-N 3.46Å; L8-L11 PolarHBondContact O-N 2.98Å; L11-R13 PolarHBondContact O-N 2.92Å; L11-F14 WeakPolarHBondContact O-CB 3.43Å; L11-F14 PolarHBondContact O-N 2.95Å; L11-F14 VanDerWaalsContact O-N 3.09Å; L11-F15 HydrophobicContact CB-CD2 4.38Å; L11-F15 HydrophobicContact CD2-CD2 4.44Å; L11-F15 HydrophobicContact CD2-CE2 3.91Å; L11-F15 VanDerWaalsContact O-CD2 3.29Å; L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 3.31Å |
| 12 | A | 85.5 | Confident | 87.3 | Confident | 54 Ų | 54 | 115.5 Ų | 115.5 | 45% | 0.446 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.1 | -49.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L8 F14 F15 Q16 | L8-A12 WeakPolarHBondContact O-CB 3.29Å; L8-A12 PolarHBondContact O-N 3.26Å; A12-F14 PolarHBondContact O-N 2.9Å; A12-F15 PolarHBondContact O-N 3.09Å; A12-Q16 WeakPolarHBondContact O-CA 3.44Å; A12-Q16 WeakPolarHBondContact O-CB 3.32Å; A12-Q16 PolarHBondContact O-N 3.05Å |
| 13 | R | 84.6 | Confident | 88.2 | Confident | 170 Ų | 170 | 117.5 Ų | 117.5 | 64% | 0.642 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.9 | -30 | 176.6 | -77.2 | -176.7 | -78.6 | -169.3 | -5.2 | 113.6 | D9 K10 L11 | D9-R13 WeakPolarHBondContact O-CB 3.45Å; D9-R13 WeakPolarHBondContact O-CG 3.4Å; D9-R13 PolarHBondContact O-N 3.47Å; D9-R13 VanDerWaalsContact O-N 3.09Å; D9-R13 PolarHBondContact O-NE 3.39Å; K10-R13 PolarHBondContact O-N 3.47Å; L11-R13 PolarHBondContact O-N 2.92Å |
| 14 | F | 85.9 | Confident | 89.1 | Confident | 168 Ų | 168 | 108.5 Ų | 108.5 | 74% | 0.737 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -75.1 | -43.8 | 177.6 | -173.7 | -97.6 | 0 | 0 | 0 | 112.3 | K10 L11 A12 | K10-F14 WeakPolarHBondContact O-CB 3.37Å; K10-F14 PolarHBondContact O-N 3.36Å; L11-F14 WeakPolarHBondContact O-CB 3.43Å; L11-F14 PolarHBondContact O-N 2.95Å; L11-F14 VanDerWaalsContact O-N 3.09Å; A12-F14 PolarHBondContact O-N 2.9Å |
| 15 | F | 86.8 | Confident | 89.7 | Confident | 145 Ų | 145 | 102.2 Ų | 102.2 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -89.9 | -10.8 | -178.4 | -71.6 | -68.8 | 0 | 0 | 0 | 114.2 | L11 A12 I17 | L11-F15 HydrophobicContact CB-CD2 4.38Å; L11-F15 HydrophobicContact CD2-CD2 4.44Å; L11-F15 HydrophobicContact CD2-CE2 3.91Å; L11-F15 VanDerWaalsContact O-CD2 3.29Å; L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 3.31Å; A12-F15 PolarHBondContact O-N 3.09Å; F15-I17 PolarHBondContact O-N 3.28Å |
| 16 | Q | 87.5 | Confident | 90.3 | Very high | 119 Ų | 119 | 99 Ų | 99 | 56% | 0.556 | 46% | 0.456 | S | S | * | . | trans | -67 | 110.6 | 179.8 | -178.5 | 178 | 18.1 | 0 | 0 | 110.5 | A12 R18 | A12-Q16 WeakPolarHBondContact O-CA 3.44Å; A12-Q16 WeakPolarHBondContact O-CB 3.32Å; A12-Q16 PolarHBondContact O-N 3.05Å; Q16-R18 PolarHBondContact O-N 3.19Å | ||
| 17 | I | 89.8 | Confident | 90.8 | Very high | 56 Ų | 56 | 93.8 Ų | 93.8 | 29% | 0.287 | 44% | 0.435 | S | S | . | . | trans | -71.2 | 120.3 | 174.7 | -63.6 | 169.6 | 0 | 0 | 0 | 108.9 | F15 N19 L22 R23 L26 | F15-I17 PolarHBondContact O-N 3.28Å; I17-N19 HydrophobicContact CG2-CB 4.33Å; I17-L22 HydrophobicContact CD1-CD2 4.35Å; I17-L22 HydrophobicContact CD1-CG 4.4Å; I17-L22 HydrophobicContact CG2-CB 4.02Å; I17-L22 HydrophobicContact CG2-CD2 3.84Å; I17-L22 HydrophobicContact CG2-CG 4.01Å; I17-R23 HydrophobicContact CG2-CB 4.5Å; I17-L26 HydrophobicContact CD1-CD1 3.12Å | ||
| 18 | R | 89.3 | Confident | 91.4 | Very high | 238 Ų | 238 | 87 Ų | 87 | 90% | 0.898 | 41% | 0.408 | S | S | * | . | trans | -79.5 | -27.5 | 179.7 | -63.1 | -174.4 | -180 | -172.8 | 0 | 113 | Q16 L20 | Q16-R18 PolarHBondContact O-N 3.19Å; R18-L20 PolarHBondContact O-N 3.43Å | ||
| 19 | N | 92.7 | Very high | 91.9 | Very high | 96 Ų | 96 | 83.3 Ų | 83.3 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | trans | -73.3 | 112.5 | 177.9 | -172.8 | -44.5 | 0 | 0 | 0 | 109.8 | I17 L21 L22 R23 | I17-N19 HydrophobicContact CG2-CB 4.33Å; N19-L21 VanDerWaalsContact C-N 3.32Å; N19-L21 PolarHBondContact O-N 3.32Å; N19-L21 WeakPolarHBondContact OD1-CB 3.43Å; N19-L21 PolarHBondContact OD1-N 3.49Å; N19-L22 HydrophobicContact CB-CB 4.1Å; N19-L22 PolarHBondContact O-N 3.01Å; N19-L22 PolarHBondContact OD1-N 3.31Å; N19-R23 PolarHBondContact O-N 3.24Å | ||
| 20 | L | 93 | Very high | 92.4 | Very high | 90 Ų | 90 | 83.9 Ų | 83.9 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.1 | -44.5 | -178.6 | 178.8 | 61.9 | 0 | 0 | 0 | 112.2 | R18 L22 R23 Q24 | R18-L20 PolarHBondContact O-N 3.43Å; L20-L22 PolarHBondContact O-N 2.96Å; L20-R23 PolarHBondContact O-N 2.95Å; L20-Q24 HydrophobicContact CD1-CG 4.24Å; L20-Q24 HydrophobicContact CG-CG 4.48Å; L20-Q24 WeakPolarHBondContact O-CB 3.47Å; L20-Q24 VanDerWaalsContact O-CG 3.26Å; L20-Q24 WeakPolarHBondContact O-CG 3.36Å; L20-Q24 PolarHBondContact O-N 3.39Å |
| 21 | L | 94.1 | Very high | 92.9 | Very high | 32 Ų | 32 | 77.5 Ų | 77.5 | 17% | 0.168 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.3 | -42.2 | -177.4 | -179.5 | 58.7 | 0 | 0 | 0 | 111.6 | N19 Q24 A25 K100 M103 Y104 | N19-L21 VanDerWaalsContact C-N 3.32Å; N19-L21 PolarHBondContact O-N 3.32Å; N19-L21 WeakPolarHBondContact OD1-CB 3.43Å; N19-L21 PolarHBondContact OD1-N 3.49Å; L21-Q24 PolarHBondContact O-N 3.31Å; L21-A25 WeakPolarHBondContact O-CB 3.41Å; L21-A25 PolarHBondContact O-N 3.32Å; L21-K100 HydrophobicContact CD1-CB 4.11Å; L21-K100 HydrophobicContact CD1-CD 4.28Å; L21-K100 HydrophobicContact CD1-CG 3.85Å; L21-M103 HydrophobicContact CD1-CB 4.22Å; L21-M103 HydrophobicContact CD2-CB 4.42Å; L21-M103 HydrophobicContact CD2-CG 3.94Å; L21-M103 HydrophobicContact CG-CB 4.34Å; L21-M103 HydrophobicContact CG-CG 4.22Å; L21-Y104 HydrophobicContact CD1-CE2 4.24Å |
| 22 | L | 94.9 | Very high | 93.5 | Very high | 61 Ų | 61 | 73.2 Ų | 73.2 | 32% | 0.319 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 177.2 | -179.1 | 59.4 | 0 | 0 | 0 | 111.5 | I17 N19 L20 Q24 A25 L26 F107 | I17-L22 HydrophobicContact CD1-CD2 4.35Å; I17-L22 HydrophobicContact CD1-CG 4.4Å; I17-L22 HydrophobicContact CG2-CB 4.02Å; I17-L22 HydrophobicContact CG2-CD2 3.84Å; I17-L22 HydrophobicContact CG2-CG 4.01Å; N19-L22 HydrophobicContact CB-CB 4.1Å; N19-L22 PolarHBondContact O-N 3.01Å; N19-L22 PolarHBondContact OD1-N 3.31Å; L20-L22 PolarHBondContact O-N 2.96Å; L22-Q24 VanDerWaalsContact C-N 3.3Å; L22-Q24 PolarHBondContact O-N 3.47Å; L22-A25 PolarHBondContact O-N 2.97Å; L22-L26 HydrophobicContact CD1-CD1 4.31Å; L22-L26 HydrophobicContact CD1-CG 4.3Å; L22-L26 HydrophobicContact CG-CD1 4.15Å; L22-L26 WeakPolarHBondContact O-CB 3.26Å; L22-L26 WeakPolarHBondContact O-CG 3.47Å; L22-L26 PolarHBondContact O-N 2.93Å; L22-F107 HydrophobicContact CD1-CE1 4.37Å; L22-F107 HydrophobicContact CD1-CZ 3.9Å |
| 23 | R | 95.8 | Very high | 94.1 | Very high | 102 Ų | 102 | 72.1 Ų | 72.1 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 175.7 | -169.8 | 179.7 | 67.7 | -172 | 5 | 111.6 | I17 N19 L20 A27 I77 | I17-R23 HydrophobicContact CG2-CB 4.5Å; N19-R23 PolarHBondContact O-N 3.24Å; L20-R23 PolarHBondContact O-N 2.95Å; R23-A27 PolarHBondContact O-N 2.92Å; R23-A27 VanDerWaalsContact O-N 3.15Å; R23-I77 HydrophobicContact CG-CG2 3.81Å |
| 24 | Q | 96.9 | Very high | 94.8 | Very high | 18 Ų | 18 | 65.1 Ų | 65.1 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.5 | -48 | 174.8 | -73.8 | -175.4 | -33 | 0 | 0 | 112 | L20 L21 L22 L26 A27 E28 I77 Y104 | L20-Q24 HydrophobicContact CD1-CG 4.24Å; L20-Q24 HydrophobicContact CG-CG 4.48Å; L20-Q24 WeakPolarHBondContact O-CB 3.47Å; L20-Q24 VanDerWaalsContact O-CG 3.26Å; L20-Q24 WeakPolarHBondContact O-CG 3.36Å; L20-Q24 PolarHBondContact O-N 3.39Å; L21-Q24 PolarHBondContact O-N 3.31Å; L22-Q24 VanDerWaalsContact C-N 3.3Å; L22-Q24 PolarHBondContact O-N 3.47Å; Q24-L26 VanDerWaalsContact C-N 3.34Å; Q24-L26 PolarHBondContact O-N 3.27Å; Q24-A27 WeakPolarHBondContact O-CB 3.03Å; Q24-A27 PolarHBondContact O-N 3.25Å; Q24-A27 VanDerWaalsContact O-N 3.14Å; Q24-E28 WeakPolarHBondContact O-CG 3.29Å; Q24-E28 PolarHBondContact O-N 2.77Å; Q24-I77 HydrophobicContact CG-CG2 4.43Å; Q24-I77 VanDerWaalsContact CG-O 3.3Å; Q24-I77 WeakPolarHBondContact CG-O 3.49Å; Q24-I77 PolarHBondContact NE2-O 3.17Å; Q24-Y104 HydrophobicContact CB-CE2 3.86Å; Q24-Y104 WeakPolarHBondContact CB-OH 3.36Å; Q24-Y104 PolarHBondContact OE1-OH 2.89Å |
| 25 | A | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.8 | -40 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L21 L22 A27 E28 C29 F107 | L21-A25 WeakPolarHBondContact O-CB 3.41Å; L21-A25 PolarHBondContact O-N 3.32Å; L22-A25 PolarHBondContact O-N 2.97Å; A25-A27 VanDerWaalsContact C-N 3.35Å; A25-A27 PolarHBondContact O-N 3.38Å; A25-E28 WeakPolarHBondContact O-CB 3.2Å; A25-E28 PolarHBondContact O-N 2.84Å; A25-C29 PolarHBondContact O-N 3.47Å; A25-F107 HydrophobicContact CB-CB 3.99Å; A25-F107 HydrophobicContact CB-CD1 4.04Å; A25-F107 HydrophobicContact CB-CD2 3.69Å; A25-F107 HydrophobicContact CB-CE1 4.46Å; A25-F107 HydrophobicContact CB-CE2 4.13Å; A25-F107 HydrophobicContact CB-CG 3.63Å; A25-F107 HydrophobicContact CB-CZ 4.5Å; A25-F107 WeakPolarHBondContact O-CB 3.47Å; A25-F107 WeakPolarHBondContact O-CD1 3.26Å |
| 26 | L | 97.5 | Very high | 95.9 | Very high | 74 Ų | 74 | 50.9 Ų | 50.9 | 39% | 0.387 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.8 | -36.8 | 174.4 | -74.2 | 167.9 | 0 | 0 | 0 | 112.9 | I17 L22 Q24 C29 L30 F107 | I17-L26 HydrophobicContact CD1-CD1 3.12Å; L22-L26 HydrophobicContact CD1-CD1 4.31Å; L22-L26 HydrophobicContact CD1-CG 4.3Å; L22-L26 HydrophobicContact CG-CD1 4.15Å; L22-L26 WeakPolarHBondContact O-CB 3.26Å; L22-L26 WeakPolarHBondContact O-CG 3.47Å; L22-L26 PolarHBondContact O-N 2.93Å; Q24-L26 VanDerWaalsContact C-N 3.34Å; Q24-L26 PolarHBondContact O-N 3.27Å; L26-C29 WeakPolarHBondContact O-CB 3.31Å; L26-C29 PolarHBondContact O-N 2.76Å; L26-L30 PolarHBondContact O-N 3.23Å; L26-F107 HydrophobicContact CD2-CD1 4.23Å; L26-F107 HydrophobicContact CD2-CE1 3.73Å; L26-F107 HydrophobicContact CG-CE1 4.13Å |
| 27 | A | 97.9 | Very high | 96.5 | Very high | 10 Ų | 10 | 47 Ų | 47 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.4 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R23 Q24 A25 C29 L30 G31 C74 I77 | R23-A27 PolarHBondContact O-N 2.92Å; R23-A27 VanDerWaalsContact O-N 3.15Å; Q24-A27 WeakPolarHBondContact O-CB 3.03Å; Q24-A27 PolarHBondContact O-N 3.25Å; Q24-A27 VanDerWaalsContact O-N 3.14Å; A25-A27 VanDerWaalsContact C-N 3.35Å; A25-A27 PolarHBondContact O-N 3.38Å; A27-C29 VanDerWaalsContact C-N 3.33Å; A27-C29 PolarHBondContact O-N 3.36Å; A27-L30 PolarHBondContact O-N 3.03Å; A27-G31 PolarHBondContact O-N 3.06Å; A27-C74 VanDerWaalsContact C-CB 3.49Å; A27-C74 HydrophobicContact CB-CB 3.79Å; A27-C74 WeakPolarHBondContact O-CB 3.29Å; A27-I77 HydrophobicContact CB-CB 3.93Å; A27-I77 HydrophobicContact CB-CD1 4.4Å; A27-I77 HydrophobicContact CB-CG2 3.88Å |
| 28 | E | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 172.8 | -73.3 | -71.8 | 135.9 | 0 | 0 | 112.2 | Q24 A25 L30 G31 T32 S78 G80 H81 L82 Y104 Q108 | Q24-E28 WeakPolarHBondContact O-CG 3.29Å; Q24-E28 PolarHBondContact O-N 2.77Å; A25-E28 WeakPolarHBondContact O-CB 3.2Å; A25-E28 PolarHBondContact O-N 2.84Å; E28-L30 PolarHBondContact O-N 3.35Å; E28-G31 PolarHBondContact O-N 3.45Å; E28-T32 WeakPolarHBondContact O-CB 3.42Å; E28-T32 PolarHBondContact O-N 3.28Å; E28-T32 PolarHBondContact O-OG1 3.46Å; E28-T32 VanDerWaalsContact O-OG1 3.09Å; E28-S78 WeakPolarHBondContact OE1-CB 3.43Å; E28-S78 PolarHBondContact OE1-OG 2.76Å; E28-S78 VanDerWaalsContact OE1-OG 3.08Å; E28-G80 PolarHBondContact OE1-N 2.87Å; E28-H81 PolarHBondContact OE1-N 2.91Å; E28-L82 WeakPolarHBondContact OE2-CA 3.44Å; E28-L82 PolarHBondContact OE2-N 3.09Å; E28-Y104 HydrophobicContact CG-CD1 3.55Å; E28-Y104 HydrophobicContact CG-CE1 3.52Å; E28-Y104 HydrophobicContact CG-CG 4.14Å; E28-Q108 HydrophobicContact CB-CG 4.07Å; E28-Q108 WeakPolarHBondContact OE2-CG 3.37Å; E28-Q108 PolarHBondContact OE2-NE2 3.49Å |
| 29 | C | 98.7 | Very high | 97.3 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 13% | 0.128 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.3 | -47.6 | 174.5 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | A25 L26 A27 L33 F107 G111 | A25-C29 PolarHBondContact O-N 3.47Å; L26-C29 WeakPolarHBondContact O-CB 3.31Å; L26-C29 PolarHBondContact O-N 2.76Å; A27-C29 VanDerWaalsContact C-N 3.33Å; A27-C29 PolarHBondContact O-N 3.36Å; C29-L33 VanDerWaalsContact O-CB 3.25Å; C29-L33 WeakPolarHBondContact O-CB 3.01Å; C29-L33 PolarHBondContact O-N 2.83Å; C29-F107 VanDerWaalsContact CA-O 3.31Å; C29-F107 WeakPolarHBondContact CA-O 3.33Å; C29-F107 HydrophobicContact CB-CB 4.12Å; C29-F107 HydrophobicContact CB-CD1 3.98Å; C29-F107 WeakPolarHBondContact CB-O 3.3Å; C29-G111 WeakPolarHBondContact O-CA 3.23Å; C29-G111 VanDerWaalsContact SG-CA 3.53Å |
| 30 | L | 98.7 | Very high | 97.6 | Very high | 86 Ų | 86 | 33 Ų | 33 | 45% | 0.45 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.8 | -42.3 | 179.6 | -179.8 | 59.8 | 0 | 0 | 0 | 111.9 | L26 A27 E28 L33 I34 V73 | L26-L30 PolarHBondContact O-N 3.23Å; A27-L30 PolarHBondContact O-N 3.03Å; E28-L30 PolarHBondContact O-N 3.35Å; L30-L33 WeakPolarHBondContact O-CB 3.33Å; L30-L33 PolarHBondContact O-N 2.9Å; L30-I34 HydrophobicContact CD1-CD1 4.47Å; L30-I34 HydrophobicContact CG-CD1 4.4Å; L30-I34 WeakPolarHBondContact O-CG1 3.47Å; L30-I34 PolarHBondContact O-N 2.89Å; L30-V73 HydrophobicContact CD2-CG1 3.6Å; L30-V73 HydrophobicContact CG-CG1 3.86Å |
| 31 | G | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A27 E28 I34 L35 L82 | A27-G31 PolarHBondContact O-N 3.06Å; E28-G31 PolarHBondContact O-N 3.45Å; G31-I34 PolarHBondContact O-N 3.44Å; G31-L35 PolarHBondContact O-N 3.25Å; G31-L82 VanDerWaalsContact CA-CD2 3.5Å |
| 32 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.1 | -32.7 | 177.9 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | E28 L35 V36 L82 Q108 A112 | E28-T32 WeakPolarHBondContact O-CB 3.42Å; E28-T32 PolarHBondContact O-N 3.28Å; E28-T32 PolarHBondContact O-OG1 3.46Å; E28-T32 VanDerWaalsContact O-OG1 3.09Å; T32-L35 PolarHBondContact O-N 3Å; T32-V36 HydrophobicContact CG2-CG2 4.27Å; T32-V36 WeakPolarHBondContact O-CB 3.35Å; T32-V36 WeakPolarHBondContact O-CG2 3.45Å; T32-V36 PolarHBondContact O-N 3.4Å; T32-L82 WeakPolarHBondContact OG1-CA 3.39Å; T32-L82 PolarHBondContact OG1-O 3.22Å; T32-Q108 HydrophobicContact CG2-CB 4.42Å; T32-Q108 VanDerWaalsContact CG2-O 3.23Å; T32-Q108 WeakPolarHBondContact CG2-O 3.41Å; T32-A112 HydrophobicContact CG2-CB 3.86Å |
| 33 | L | 98.8 | Very high | 98.2 | Very high | 31 Ų | 31 | 26.5 Ų | 26.5 | 16% | 0.162 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.1 | -49.1 | 169.4 | -179.1 | 162.1 | 0 | 0 | 0 | 110.8 | C29 L30 L35 V36 M37 G111 F114 I118 | C29-L33 VanDerWaalsContact O-CB 3.25Å; C29-L33 WeakPolarHBondContact O-CB 3.01Å; C29-L33 PolarHBondContact O-N 2.83Å; L30-L33 WeakPolarHBondContact O-CB 3.33Å; L30-L33 PolarHBondContact O-N 2.9Å; L33-L35 PolarHBondContact O-N 3.06Å; L33-V36 PolarHBondContact O-N 3.37Å; L33-M37 HydrophobicContact CD2-CB 4.36Å; L33-M37 HydrophobicContact CD2-SD 4.22Å; L33-M37 WeakPolarHBondContact O-CB 3.41Å; L33-M37 PolarHBondContact O-N 3.5Å; L33-G111 VanDerWaalsContact CA-O 3.26Å; L33-G111 WeakPolarHBondContact CA-O 3.39Å; L33-G111 WeakPolarHBondContact CB-O 3.46Å; L33-F114 HydrophobicContact CD1-CB 3.96Å; L33-I118 HydrophobicContact CD1-CD1 4.17Å; L33-I118 HydrophobicContact CD2-CD1 4.1Å; L33-I118 HydrophobicContact CG-CD1 4.35Å |
| 34 | I | 98.7 | Very high | 98.2 | Very high | 23 Ų | 23 | 21.7 Ų | 21.7 | 12% | 0.118 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 178.6 | -73.4 | 173.5 | 0 | 0 | 0 | 111.3 | L30 G31 V36 F38 L69 V73 | L30-I34 HydrophobicContact CD1-CD1 4.47Å; L30-I34 HydrophobicContact CG-CD1 4.4Å; L30-I34 WeakPolarHBondContact O-CG1 3.47Å; L30-I34 PolarHBondContact O-N 2.89Å; G31-I34 PolarHBondContact O-N 3.44Å; I34-V36 VanDerWaalsContact C-N 3.34Å; I34-V36 PolarHBondContact O-N 3.11Å; I34-F38 HydrophobicContact CG2-CD2 3.8Å; I34-F38 HydrophobicContact CG2-CE2 3.88Å; I34-F38 WeakPolarHBondContact O-CD2 3.46Å; I34-F38 PolarHBondContact O-N 3.37Å; I34-F38 VanDerWaalsContact O-N 3.14Å; I34-L69 HydrophobicContact CG2-CB 4Å; I34-V73 HydrophobicContact CD1-CB 3.91Å; I34-V73 HydrophobicContact CD1-CG1 3.84Å; I34-V73 HydrophobicContact CD1-CG2 3.63Å |
| 35 | L | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54 | -51.3 | 176.4 | 170.7 | 60.4 | 0 | 0 | 0 | 111.4 | G31 T32 L33 G39 F63 A66 A67 L82 | G31-L35 PolarHBondContact O-N 3.25Å; T32-L35 PolarHBondContact O-N 3Å; L33-L35 PolarHBondContact O-N 3.06Å; L35-G39 PolarHBondContact O-N 3.07Å; L35-G39 VanDerWaalsContact O-N 3.1Å; L35-F63 HydrophobicContact CD1-CD1 4.26Å; L35-A66 HydrophobicContact CD1-CB 4.21Å; L35-A67 HydrophobicContact CD1-CB 3.97Å; L35-L82 HydrophobicContact CD2-CB 4.47Å |
| 36 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -76.4 | -37.5 | -174.3 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | T32 L33 I34 C40 A112 A116 R217 P221 | T32-V36 HydrophobicContact CG2-CG2 4.27Å; T32-V36 WeakPolarHBondContact O-CB 3.35Å; T32-V36 WeakPolarHBondContact O-CG2 3.45Å; T32-V36 PolarHBondContact O-N 3.4Å; L33-V36 PolarHBondContact O-N 3.37Å; I34-V36 VanDerWaalsContact C-N 3.34Å; I34-V36 PolarHBondContact O-N 3.11Å; V36-C40 VanDerWaalsContact CG1-SG 3.55Å; V36-C40 WeakPolarHBondContact O-CB 3.32Å; V36-C40 PolarHBondContact O-N 3.09Å; V36-C40 PolarHBondContact O-SG 3.39Å; V36-A112 WeakPolarHBondContact CG1-O 3.37Å; V36-A112 HydrophobicContact CG2-CB 3.75Å; V36-A116 HydrophobicContact CG1-CB 4.39Å; V36-R217 HydrophobicContact CG2-CB 4.35Å; V36-R217 HydrophobicContact CG2-CG 4.17Å; V36-P221 HydrophobicContact CG1-CG 3.72Å |
| 37 | M | 98.6 | Very high | 98 | Very high | 38 Ų | 38 | 24.6 Ų | 24.6 | 19% | 0.187 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.7 | -55.5 | 177.7 | -179.5 | -175 | 70.8 | 0 | 0 | 110.6 | L33 G41 I118 I119 | L33-M37 HydrophobicContact CD2-CB 4.36Å; L33-M37 HydrophobicContact CD2-SD 4.22Å; L33-M37 WeakPolarHBondContact O-CB 3.41Å; L33-M37 PolarHBondContact O-N 3.5Å; M37-G41 PolarHBondContact O-N 3.47Å; M37-I118 HydrophobicContact CG-CG2 4.22Å; M37-I118 HydrophobicContact SD-CD1 4.43Å; M37-I118 HydrophobicContact SD-CG2 4.04Å; M37-I119 HydrophobicContact CG-CD1 3.8Å; M37-I119 HydrophobicContact CG-CG1 4.09Å; M37-I119 WeakPolarHBondContact O-CD1 3.42Å; M37-I119 WeakPolarHBondContact O-CG1 3.26Å |
| 38 | F | 98.6 | Very high | 97.9 | Very high | 96 Ų | 96 | 25 Ų | 25 | 42% | 0.421 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -69.1 | -38.5 | -179.4 | -71.9 | -57.8 | 0 | 0 | 0 | 112.6 | I34 G41 A42 A66 L69 | I34-F38 HydrophobicContact CG2-CD2 3.8Å; I34-F38 HydrophobicContact CG2-CE2 3.88Å; I34-F38 WeakPolarHBondContact O-CD2 3.46Å; I34-F38 PolarHBondContact O-N 3.37Å; I34-F38 VanDerWaalsContact O-N 3.14Å; F38-G41 PolarHBondContact O-N 3.23Å; F38-A42 PolarHBondContact O-N 3.12Å; F38-A66 HydrophobicContact CB-CB 3.64Å; F38-A66 HydrophobicContact CD2-CB 4.46Å; F38-L69 HydrophobicContact CD2-CD1 4.48Å; F38-L69 HydrophobicContact CE2-CD1 4.22Å |
| 39 | G | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.2 | -55.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L35 G41 A42 V43 F63 | L35-G39 PolarHBondContact O-N 3.07Å; L35-G39 VanDerWaalsContact O-N 3.1Å; G39-G41 VanDerWaalsContact C-N 3.29Å; G39-G41 PolarHBondContact O-N 3.41Å; G39-A42 PolarHBondContact O-N 3.4Å; G39-V43 WeakPolarHBondContact O-CG2 3.42Å; G39-V43 PolarHBondContact O-N 2.96Å; G39-F63 VanDerWaalsContact C-CE2 3.49Å; G39-F63 VanDerWaalsContact CA-CE2 3.46Å; G39-F63 WeakPolarHBondContact O-CE2 3.26Å |
| 40 | C | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 177.9 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | V36 A42 V43 A44 I119 | V36-C40 VanDerWaalsContact CG1-SG 3.55Å; V36-C40 WeakPolarHBondContact O-CB 3.32Å; V36-C40 PolarHBondContact O-N 3.09Å; V36-C40 PolarHBondContact O-SG 3.39Å; C40-A42 VanDerWaalsContact C-N 3.33Å; C40-A42 PolarHBondContact O-N 2.97Å; C40-V43 PolarHBondContact O-N 3.42Å; C40-A44 WeakPolarHBondContact O-CB 3.29Å; C40-A44 PolarHBondContact O-N 3.03Å; C40-I119 HydrophobicContact CB-CB 4.41Å; C40-I119 HydrophobicContact CB-CG1 4.28Å; C40-I119 HydrophobicContact CB-CG2 4.18Å |
| 41 | G | 98.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 8% | 0.082 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M37 F38 G39 V43 A44 Q45 | M37-G41 PolarHBondContact O-N 3.47Å; F38-G41 PolarHBondContact O-N 3.23Å; G39-G41 VanDerWaalsContact C-N 3.29Å; G39-G41 PolarHBondContact O-N 3.41Å; G41-V43 PolarHBondContact O-N 3.49Å; G41-A44 PolarHBondContact O-N 3.17Å; G41-Q45 WeakPolarHBondContact O-CB 3.36Å; G41-Q45 PolarHBondContact O-N 2.87Å |
| 42 | A | 98.3 | Very high | 97 | Very high | 17 Ų | 17 | 33.3 Ų | 33.3 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.5 | -36.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F38 G39 C40 S46 A62 | F38-A42 PolarHBondContact O-N 3.12Å; G39-A42 PolarHBondContact O-N 3.4Å; C40-A42 VanDerWaalsContact C-N 3.33Å; C40-A42 PolarHBondContact O-N 2.97Å; A42-S46 WeakPolarHBondContact O-CB 3.49Å; A42-S46 PolarHBondContact O-N 3.02Å; A42-A62 HydrophobicContact CB-CB 3.29Å |
| 43 | V | 97.5 | Very high | 96.7 | Very high | 22 Ų | 22 | 39.6 Ų | 39.6 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.9 | -44.5 | 174.4 | -172.5 | 0 | 0 | 0 | 0 | 110.7 | G39 C40 G41 Q45 S46 V47 V59 F63 I145 | G39-V43 WeakPolarHBondContact O-CG2 3.42Å; G39-V43 PolarHBondContact O-N 2.96Å; C40-V43 PolarHBondContact O-N 3.42Å; G41-V43 PolarHBondContact O-N 3.49Å; V43-Q45 VanDerWaalsContact C-N 3.31Å; V43-Q45 PolarHBondContact O-N 3.34Å; V43-S46 PolarHBondContact O-N 3.14Å; V43-S46 VanDerWaalsContact O-N 3.15Å; V43-V47 HydrophobicContact CG1-CG2 4.02Å; V43-V47 WeakPolarHBondContact O-CB 3.39Å; V43-V47 WeakPolarHBondContact O-CG2 3.35Å; V43-V47 PolarHBondContact O-N 3.16Å; V43-V59 HydrophobicContact CG2-CG1 3.67Å; V43-V59 HydrophobicContact CG2-CG2 4.35Å; V43-F63 HydrophobicContact CG2-CE2 3.92Å; V43-I145 HydrophobicContact CG1-CB 4.41Å; V43-I145 HydrophobicContact CG1-CG1 4.29Å |
| 44 | A | 97.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.9 | -47.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | C40 G41 S46 V47 L48 I119 Y123 I145 | C40-A44 WeakPolarHBondContact O-CB 3.29Å; C40-A44 PolarHBondContact O-N 3.03Å; G41-A44 PolarHBondContact O-N 3.17Å; A44-S46 VanDerWaalsContact C-N 3.34Å; A44-S46 PolarHBondContact O-N 2.82Å; A44-V47 PolarHBondContact O-N 3.4Å; A44-L48 HydrophobicContact CB-CD1 4.16Å; A44-L48 VanDerWaalsContact O-CB 3.23Å; A44-L48 WeakPolarHBondContact O-CB 3.39Å; A44-L48 VanDerWaalsContact O-CG 3.25Å; A44-L48 WeakPolarHBondContact O-CG 3.04Å; A44-L48 PolarHBondContact O-N 3.29Å; A44-I119 HydrophobicContact CB-CG2 4.04Å; A44-Y123 HydrophobicContact CB-CD1 4.38Å; A44-Y123 HydrophobicContact CB-CD2 3.73Å; A44-Y123 HydrophobicContact CB-CE2 3.86Å; A44-Y123 HydrophobicContact CB-CG 3.99Å; A44-I145 HydrophobicContact CB-CG2 3.65Å |
| 45 | Q | 96.6 | Very high | 96.2 | Very high | 85 Ų | 85 | 46.4 Ų | 46.4 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 176.3 | -171.1 | 166.8 | -57.9 | 0 | 0 | 111.9 | G41 V43 S49 H53 Y123 | G41-Q45 WeakPolarHBondContact O-CB 3.36Å; G41-Q45 PolarHBondContact O-N 2.87Å; V43-Q45 VanDerWaalsContact C-N 3.31Å; V43-Q45 PolarHBondContact O-N 3.34Å; Q45-S49 WeakPolarHBondContact O-CB 3.32Å; Q45-S49 PolarHBondContact O-N 2.89Å; Q45-S49 PolarHBondContact O-OG 3.23Å; Q45-H53 HydrophobicContact CG-CB 3.73Å; Q45-H53 PolarHBondContact NE2-O 2.92Å; Q45-Y123 PolarHBondContact OE1-OH 3.04Å |
| 46 | S | 96.1 | Very high | 95.9 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 16% | 0.161 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -46.5 | 178.4 | -173.1 | 0 | 0 | 0 | 0 | 112.3 | A42 V43 A44 G51 G54 | A42-S46 WeakPolarHBondContact O-CB 3.49Å; A42-S46 PolarHBondContact O-N 3.02Å; V43-S46 PolarHBondContact O-N 3.14Å; V43-S46 VanDerWaalsContact O-N 3.15Å; A44-S46 VanDerWaalsContact C-N 3.34Å; A44-S46 PolarHBondContact O-N 2.82Å; S46-G51 WeakPolarHBondContact O-CA 3.34Å; S46-G51 PolarHBondContact O-N 3.04Å; S46-G54 PolarHBondContact OG-O 3.41Å |
| 47 | V | 94.6 | Very high | 95.8 | Very high | 44 Ų | 44 | 55 Ų | 55 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71.2 | -54.6 | -176 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | V43 A44 S49 Y50 F130 I145 | V43-V47 HydrophobicContact CG1-CG2 4.02Å; V43-V47 WeakPolarHBondContact O-CB 3.39Å; V43-V47 WeakPolarHBondContact O-CG2 3.35Å; V43-V47 PolarHBondContact O-N 3.16Å; A44-V47 PolarHBondContact O-N 3.4Å; V47-S49 VanDerWaalsContact C-N 3.26Å; V47-S49 PolarHBondContact O-N 3.08Å; V47-Y50 PolarHBondContact O-N 3.03Å; V47-Y50 VanDerWaalsContact O-N 3.11Å; V47-F130 HydrophobicContact CG1-CE1 4.22Å; V47-F130 HydrophobicContact CG1-CZ 4.04Å; V47-F130 VanDerWaalsContact O-CE2 3.29Å; V47-F130 WeakPolarHBondContact O-CE2 3.37Å; V47-I145 HydrophobicContact CB-CD1 4.19Å; V47-I145 HydrophobicContact CB-CG1 4.09Å; V47-I145 HydrophobicContact CG1-CD1 4.08Å; V47-I145 HydrophobicContact CG1-CG1 4.26Å; V47-I145 HydrophobicContact CG2-CG1 4.12Å |
| 48 | L | 94.8 | Very high | 95.7 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.3 | -21.1 | -171.6 | -56.9 | 173.8 | 0 | 0 | 0 | 112.8 | A44 Y123 A126 L127 F130 I145 | A44-L48 HydrophobicContact CB-CD1 4.16Å; A44-L48 VanDerWaalsContact O-CB 3.23Å; A44-L48 WeakPolarHBondContact O-CB 3.39Å; A44-L48 VanDerWaalsContact O-CG 3.25Å; A44-L48 WeakPolarHBondContact O-CG 3.04Å; A44-L48 PolarHBondContact O-N 3.29Å; L48-Y123 HydrophobicContact CD1-CD1 3.79Å; L48-Y123 HydrophobicContact CD1-CG 4.01Å; L48-A126 HydrophobicContact CB-CB 4.4Å; L48-A126 HydrophobicContact CD1-CB 4.02Å; L48-L127 HydrophobicContact CD1-CD2 4.23Å; L48-L127 HydrophobicContact CD1-CG 3.91Å; L48-L127 HydrophobicContact CD2-CD2 3.85Å; L48-L127 HydrophobicContact CD2-CG 4.24Å; L48-F130 HydrophobicContact CD2-CB 3.87Å; L48-F130 HydrophobicContact CD2-CD1 4.26Å; L48-F130 HydrophobicContact CD2-CD2 4.02Å; L48-F130 HydrophobicContact CD2-CG 3.81Å; L48-I145 HydrophobicContact CD1-CD1 4.41Å; L48-I145 HydrophobicContact CD2-CD1 4.03Å; L48-I145 HydrophobicContact CG-CD1 4.1Å |
| 49 | S | 94.8 | Very high | 95.6 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 9.6 | 174.3 | 78.2 | 0 | 0 | 0 | 0 | 113.8 | Q45 V47 G51 S52 H53 | Q45-S49 WeakPolarHBondContact O-CB 3.32Å; Q45-S49 PolarHBondContact O-N 2.89Å; Q45-S49 PolarHBondContact O-OG 3.23Å; V47-S49 VanDerWaalsContact C-N 3.26Å; V47-S49 PolarHBondContact O-N 3.08Å; S49-G51 PolarHBondContact O-N 3.49Å; S49-S52 VanDerWaalsContact CB-OG 3.32Å; S49-S52 WeakPolarHBondContact CB-OG 3.49Å; S49-S52 WeakPolarHBondContact O-CB 3.19Å; S49-S52 PolarHBondContact O-N 2.82Å; S49-S52 VanDerWaalsContact O-N 3.09Å; S49-S52 PolarHBondContact O-OG 2.69Å; S49-S52 PolarHBondContact OG-N 3.44Å; S49-S52 PolarHBondContact OG-OG 2.86Å; S49-H53 PolarHBondContact OG-N 2.91Å |
| 50 | Y | 92.3 | Very high | 95.6 | Very high | 145 Ų | 145 | 52.7 Ų | 52.7 | 57% | 0.569 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 36.1 | -174.8 | -54.1 | -87.9 | 0 | 0 | 0 | 113 | V47 S52 F130 P131 Y140 | V47-Y50 PolarHBondContact O-N 3.03Å; V47-Y50 VanDerWaalsContact O-N 3.11Å; Y50-S52 VanDerWaalsContact C-N 3.3Å; Y50-S52 PolarHBondContact O-N 3.08Å; Y50-F130 AromaticContact CD1-CE2 3.88Å; Y50-F130 HydrophobicContact CD1-CE2 3.88Å; Y50-F130 HydrophobicContact CD1-CZ 4.4Å; Y50-F130 HydrophobicContact CD2-CE2 4.45Å; Y50-F130 HydrophobicContact CE1-CD2 4.12Å; Y50-F130 AromaticContact CE1-CE2 3.38Å; Y50-F130 HydrophobicContact CE1-CE2 3.38Å; Y50-F130 AromaticContact CE1-CZ 3.97Å; Y50-F130 HydrophobicContact CE1-CZ 3.97Å; Y50-F130 HydrophobicContact CE2-CD2 4.18Å; Y50-F130 HydrophobicContact CE2-CE2 4.02Å; Y50-F130 HydrophobicContact CG-CE2 4.4Å; Y50-F130 AromaticContact CZ-CD2 3.73Å; Y50-F130 AromaticContact CZ-CE2 3.47Å; Y50-F130 VanDerWaalsContact CZ-CE2 3.47Å; Y50-P131 WeakPolarHBondContact OH-CD 3.3Å; Y50-P131 WeakPolarHBondContact OH-CG 3.1Å; Y50-Y140 HydrophobicContact CE1-CE1 4.49Å |
| 51 | G | 93.1 | Very high | 95.6 | Very high | 25 Ų | 25 | 56.7 Ų | 56.7 | 26% | 0.258 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 3.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S46 S49 G54 | S46-G51 WeakPolarHBondContact O-CA 3.34Å; S46-G51 PolarHBondContact O-N 3.04Å; S49-G51 PolarHBondContact O-N 3.49Å; G51-G54 CarbonylContact C-O 3.6Å; G51-G54 VanDerWaalsContact CA-O 3.32Å; G51-G54 WeakPolarHBondContact CA-O 3.38Å |
| 52 | S | 95.3 | Very high | 95.6 | Very high | 85 Ų | 85 | 57.5 Ų | 57.5 | 59% | 0.594 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -70.3 | -35.3 | 178.6 | 60 | 0 | 0 | 0 | 0 | 112.9 | S49 Y50 | S49-S52 VanDerWaalsContact CB-OG 3.32Å; S49-S52 WeakPolarHBondContact CB-OG 3.49Å; S49-S52 WeakPolarHBondContact O-CB 3.19Å; S49-S52 PolarHBondContact O-N 2.82Å; S49-S52 VanDerWaalsContact O-N 3.09Å; S49-S52 PolarHBondContact O-OG 2.69Å; S49-S52 PolarHBondContact OG-N 3.44Å; S49-S52 PolarHBondContact OG-OG 2.86Å; Y50-S52 VanDerWaalsContact C-N 3.3Å; Y50-S52 PolarHBondContact O-N 3.08Å |
| 53 | H | 92.1 | Very high | 95.6 | Very high | 132 Ų | 132 | 57 Ų | 57 | 61% | 0.611 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -110.3 | 12 | -177.7 | -65.8 | 72.4 | 0 | 0 | 0 | 113.2 | Q45 S49 | Q45-H53 HydrophobicContact CG-CB 3.73Å; Q45-H53 PolarHBondContact NE2-O 2.92Å; S49-H53 PolarHBondContact OG-N 2.91Å |
| 54 | G | 92.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 56 Ų | 56 | 8% | 0.082 | 29% | 0.286 | C | S | . | . | trans | -178.2 | 145.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S46 G51 T58 | S46-G54 PolarHBondContact OG-O 3.41Å; G51-G54 CarbonylContact C-O 3.6Å; G51-G54 VanDerWaalsContact CA-O 3.32Å; G51-G54 WeakPolarHBondContact CA-O 3.38Å; G54-T58 WeakPolarHBondContact CA-OG1 3.44Å | ||
| 55 | R | 94.2 | Very high | 95.7 | Very high | 190 Ų | 190 | 60.8 Ų | 60.8 | 72% | 0.717 | 31% | 0.307 | S | S | * | . | trans | -130 | 176.8 | 175.8 | -65.3 | -167.2 | 174.7 | -156.5 | -0.6 | 110.5 | L57 T58 V59 | R55-L57 PolarHBondContact O-N 2.88Å; R55-L57 VanDerWaalsContact O-N 3.15Å; R55-T58 PolarHBondContact N-OG1 3.34Å; R55-T58 PolarHBondContact O-N 3.37Å; R55-T58 PolarHBondContact O-OG1 3.45Å; R55-V59 PolarHBondContact O-N 3.38Å; R55-V59 VanDerWaalsContact O-N 3.11Å | ||
| 56 | F | 93.6 | Very high | 95.7 | Very high | 105 Ų | 105 | 56.8 Ų | 56.8 | 46% | 0.461 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -48.8 | -44.7 | 179 | -174.4 | -106.2 | 0 | 0 | 0 | 113.1 | T58 V59 N60 G202 | F56-T58 PolarHBondContact O-N 3.18Å; F56-V59 PolarHBondContact O-N 3.39Å; F56-N60 VanDerWaalsContact CD1-ND2 3.33Å; F56-N60 WeakPolarHBondContact CD1-ND2 3.26Å; F56-N60 WeakPolarHBondContact CE1-ND2 3.4Å; F56-N60 WeakPolarHBondContact CZ-ND2 3.49Å; F56-N60 PolarHBondContact O-N 3.09Å; F56-N60 VanDerWaalsContact O-N 3.14Å; F56-N60 PolarHBondContact O-ND2 3.18Å; F56-G202 WeakPolarHBondContact CZ-O 3.42Å |
| 57 | L | 95.9 | Very high | 95.9 | Very high | 89 Ų | 89 | 56 Ų | 56 | 47% | 0.466 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 177.3 | -179.4 | 57.8 | 0 | 0 | 0 | 112.9 | R55 V59 N60 F61 L203 | R55-L57 PolarHBondContact O-N 2.88Å; R55-L57 VanDerWaalsContact O-N 3.15Å; L57-V59 VanDerWaalsContact C-N 3.33Å; L57-V59 PolarHBondContact O-N 2.93Å; L57-N60 PolarHBondContact O-N 3.11Å; L57-F61 HydrophobicContact CD1-CD2 3.85Å; L57-F61 HydrophobicContact CD1-CE2 3.51Å; L57-F61 HydrophobicContact CD1-CZ 4.34Å; L57-F61 HydrophobicContact CD2-CE2 4.16Å; L57-F61 HydrophobicContact CG-CD2 3.87Å; L57-F61 HydrophobicContact CG-CE2 3.69Å; L57-F61 WeakPolarHBondContact O-CD2 3.32Å; L57-F61 PolarHBondContact O-N 3.4Å; L57-L203 HydrophobicContact CD1-CD2 3.49Å; L57-L203 VanDerWaalsContact CD1-CD2 3.49Å |
| 58 | T | 95.9 | Very high | 96 | Very high | 67 Ų | 67 | 54.4 Ų | 54.4 | 41% | 0.411 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.1 | -34.1 | -178.6 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | G54 R55 F56 F61 A62 | G54-T58 WeakPolarHBondContact CA-OG1 3.44Å; R55-T58 PolarHBondContact N-OG1 3.34Å; R55-T58 PolarHBondContact O-N 3.37Å; R55-T58 PolarHBondContact O-OG1 3.45Å; F56-T58 PolarHBondContact O-N 3.18Å; T58-F61 PolarHBondContact O-N 3.15Å; T58-A62 WeakPolarHBondContact O-CB 3.3Å; T58-A62 PolarHBondContact O-N 3.06Å |
| 59 | V | 97.3 | Very high | 96.2 | Very high | 17 Ų | 17 | 57.4 Ų | 57.4 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 173.1 | 173 | 0 | 0 | 0 | 0 | 110.6 | V43 R55 F56 L57 A62 F63 | V43-V59 HydrophobicContact CG2-CG1 3.67Å; V43-V59 HydrophobicContact CG2-CG2 4.35Å; R55-V59 PolarHBondContact O-N 3.38Å; R55-V59 VanDerWaalsContact O-N 3.11Å; F56-V59 PolarHBondContact O-N 3.39Å; L57-V59 VanDerWaalsContact C-N 3.33Å; L57-V59 PolarHBondContact O-N 2.93Å; V59-A62 WeakPolarHBondContact O-CB 3.49Å; V59-A62 PolarHBondContact O-N 3.38Å; V59-F63 HydrophobicContact CG1-CD2 3.87Å; V59-F63 HydrophobicContact CG1-CE2 3.99Å; V59-F63 WeakPolarHBondContact O-CD2 3.31Å; V59-F63 PolarHBondContact O-N 3.24Å |
| 60 | N | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66 | -41 | 179.7 | -66.9 | -47.4 | 0 | 0 | 0 | 112.4 | F56 L57 A62 F63 G64 L199 G202 L203 Y211 | F56-N60 VanDerWaalsContact CD1-ND2 3.33Å; F56-N60 WeakPolarHBondContact CD1-ND2 3.26Å; F56-N60 WeakPolarHBondContact CE1-ND2 3.4Å; F56-N60 WeakPolarHBondContact CZ-ND2 3.49Å; F56-N60 PolarHBondContact O-N 3.09Å; F56-N60 VanDerWaalsContact O-N 3.14Å; F56-N60 PolarHBondContact O-ND2 3.18Å; L57-N60 PolarHBondContact O-N 3.11Å; N60-A62 VanDerWaalsContact C-N 3.32Å; N60-A62 PolarHBondContact O-N 2.99Å; N60-F63 PolarHBondContact O-N 3.34Å; N60-G64 PolarHBondContact O-N 3Å; N60-L199 VanDerWaalsContact C-CD1 3.4Å; N60-L199 HydrophobicContact CB-CD1 3.91Å; N60-L199 WeakPolarHBondContact O-CD1 3.39Å; N60-G202 VanDerWaalsContact OD1-C 3.29Å; N60-G202 WeakPolarHBondContact OD1-CA 3.39Å; N60-G202 PolarHBondContact OD1-O 3.02Å; N60-L203 HydrophobicContact CB-CD2 3.75Å; N60-L203 HydrophobicContact CB-CG 4.06Å; N60-Y211 WeakPolarHBondContact OD1-CE1 3.48Å; N60-Y211 PolarHBondContact OD1-OH 3.38Å |
| 61 | F | 98.3 | Very high | 96.6 | Very high | 84 Ų | 84 | 50.6 Ų | 50.6 | 37% | 0.368 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58 | -45.1 | 171.3 | -85 | -59.7 | 0 | 0 | 0 | 112.1 | L57 T58 G64 F65 L199 | L57-F61 HydrophobicContact CD1-CD2 3.85Å; L57-F61 HydrophobicContact CD1-CE2 3.51Å; L57-F61 HydrophobicContact CD1-CZ 4.34Å; L57-F61 HydrophobicContact CD2-CE2 4.16Å; L57-F61 HydrophobicContact CG-CD2 3.87Å; L57-F61 HydrophobicContact CG-CE2 3.69Å; L57-F61 WeakPolarHBondContact O-CD2 3.32Å; L57-F61 PolarHBondContact O-N 3.4Å; T58-F61 PolarHBondContact O-N 3.15Å; F61-G64 PolarHBondContact O-N 3.24Å; F61-F65 HydrophobicContact CB-CD2 4.36Å; F61-F65 HydrophobicContact CB-CE2 4.23Å; F61-F65 HydrophobicContact CD1-CD2 4.48Å; F61-F65 AromaticContact CD1-CE2 3.68Å; F61-F65 HydrophobicContact CD1-CE2 3.68Å; F61-F65 HydrophobicContact CD1-CZ 4.12Å; F61-F65 HydrophobicContact CE1-CE2 4.5Å; F61-F65 HydrophobicContact CG-CE2 4.33Å; F61-F65 WeakPolarHBondContact O-CD2 3.43Å; F61-F65 WeakPolarHBondContact O-CG 3.24Å; F61-F65 PolarHBondContact O-N 3.11Å; F61-L199 HydrophobicContact CD1-CD1 3.99Å; F61-L199 HydrophobicContact CD1-CD2 3.81Å; F61-L199 HydrophobicContact CE1-CD1 4.4Å; F61-L199 HydrophobicContact CE1-CD2 3.77Å; F61-L199 HydrophobicContact CG-CD1 4.31Å |
| 62 | A | 98.2 | Very high | 96.8 | Very high | 26 Ų | 26 | 54.4 Ų | 54.4 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A42 T58 V59 N60 G64 F65 A66 | A42-A62 HydrophobicContact CB-CB 3.29Å; T58-A62 WeakPolarHBondContact O-CB 3.3Å; T58-A62 PolarHBondContact O-N 3.06Å; V59-A62 WeakPolarHBondContact O-CB 3.49Å; V59-A62 PolarHBondContact O-N 3.38Å; N60-A62 VanDerWaalsContact C-N 3.32Å; N60-A62 PolarHBondContact O-N 2.99Å; A62-G64 PolarHBondContact O-N 3.38Å; A62-F65 PolarHBondContact O-N 2.9Å; A62-A66 WeakPolarHBondContact O-CB 3.44Å; A62-A66 PolarHBondContact O-N 2.87Å |
| 63 | F | 98.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 2% | 0.022 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 177.9 | -90.4 | -78 | 0 | 0 | 0 | 113.1 | L35 G39 V43 V59 N60 A66 A67 V198 Y211 | L35-F63 HydrophobicContact CD1-CD1 4.26Å; G39-F63 VanDerWaalsContact C-CE2 3.49Å; G39-F63 VanDerWaalsContact CA-CE2 3.46Å; G39-F63 WeakPolarHBondContact O-CE2 3.26Å; V43-F63 HydrophobicContact CG2-CE2 3.92Å; V59-F63 HydrophobicContact CG1-CD2 3.87Å; V59-F63 HydrophobicContact CG1-CE2 3.99Å; V59-F63 WeakPolarHBondContact O-CD2 3.31Å; V59-F63 PolarHBondContact O-N 3.24Å; N60-F63 PolarHBondContact O-N 3.34Å; F63-A66 PolarHBondContact O-N 3.24Å; F63-A67 WeakPolarHBondContact O-CB 3.29Å; F63-A67 PolarHBondContact O-N 3.27Å; F63-V198 HydrophobicContact CB-CG1 4.46Å; F63-Y211 HydrophobicContact CB-CE2 4.2Å; F63-Y211 VanDerWaalsContact CD2-OH 3.28Å; F63-Y211 WeakPolarHBondContact CD2-OH 3.42Å; F63-Y211 HydrophobicContact CG-CE2 4.27Å |
| 64 | G | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -50 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N60 F61 A62 A67 T68 G195 | N60-G64 PolarHBondContact O-N 3Å; F61-G64 PolarHBondContact O-N 3.24Å; A62-G64 PolarHBondContact O-N 3.38Å; G64-A67 WeakPolarHBondContact O-CB 3.46Å; G64-A67 PolarHBondContact O-N 3.31Å; G64-T68 PolarHBondContact O-N 3.17Å; G64-T68 VanDerWaalsContact O-N 3.11Å; G64-T68 PolarHBondContact O-OG1 3.32Å; G64-G195 VanDerWaalsContact CA-O 3.23Å; G64-G195 WeakPolarHBondContact CA-O 3.45Å; G64-G195 VanDerWaalsContact O-CA 3.22Å; G64-G195 WeakPolarHBondContact O-CA 3.35Å |
| 65 | F | 98.6 | Very high | 96.9 | Very high | 102 Ų | 102 | 48.3 Ų | 48.3 | 45% | 0.447 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.7 | -32.9 | 177.7 | -65.9 | -48.2 | 0 | 0 | 0 | 113 | F61 A62 A67 T68 L69 F192 | F61-F65 HydrophobicContact CB-CD2 4.36Å; F61-F65 HydrophobicContact CB-CE2 4.23Å; F61-F65 HydrophobicContact CD1-CD2 4.48Å; F61-F65 AromaticContact CD1-CE2 3.68Å; F61-F65 HydrophobicContact CD1-CE2 3.68Å; F61-F65 HydrophobicContact CD1-CZ 4.12Å; F61-F65 HydrophobicContact CE1-CE2 4.5Å; F61-F65 HydrophobicContact CG-CE2 4.33Å; F61-F65 WeakPolarHBondContact O-CD2 3.43Å; F61-F65 WeakPolarHBondContact O-CG 3.24Å; F61-F65 PolarHBondContact O-N 3.11Å; A62-F65 PolarHBondContact O-N 2.9Å; F65-A67 VanDerWaalsContact C-N 3.32Å; F65-A67 PolarHBondContact O-N 2.84Å; F65-T68 WeakPolarHBondContact O-CB 3.32Å; F65-T68 PolarHBondContact O-N 3.45Å; F65-L69 WeakPolarHBondContact O-CG 3.09Å; F65-L69 PolarHBondContact O-N 3.04Å; F65-F192 HydrophobicContact CE1-CE2 4.07Å |
| 66 | A | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L35 F38 A62 F63 L69 G70 | L35-A66 HydrophobicContact CD1-CB 4.21Å; F38-A66 HydrophobicContact CB-CB 3.64Å; F38-A66 HydrophobicContact CD2-CB 4.46Å; A62-A66 WeakPolarHBondContact O-CB 3.44Å; A62-A66 PolarHBondContact O-N 2.87Å; F63-A66 PolarHBondContact O-N 3.24Å; A66-L69 PolarHBondContact O-N 2.81Å; A66-G70 PolarHBondContact O-N 3.42Å |
| 67 | A | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | L35 F63 G64 F65 L69 G70 I71 V198 | L35-A67 HydrophobicContact CD1-CB 3.97Å; F63-A67 WeakPolarHBondContact O-CB 3.29Å; F63-A67 PolarHBondContact O-N 3.27Å; G64-A67 WeakPolarHBondContact O-CB 3.46Å; G64-A67 PolarHBondContact O-N 3.31Å; F65-A67 VanDerWaalsContact C-N 3.32Å; F65-A67 PolarHBondContact O-N 2.84Å; A67-L69 PolarHBondContact O-N 3.01Å; A67-G70 PolarHBondContact O-N 3.05Å; A67-I71 VanDerWaalsContact O-CG1 3.28Å; A67-I71 WeakPolarHBondContact O-CG1 3.47Å; A67-I71 PolarHBondContact O-N 3.26Å; A67-V198 HydrophobicContact CB-CB 4.35Å; A67-V198 HydrophobicContact CB-CG1 4.49Å; A67-V198 HydrophobicContact CB-CG2 4.04Å |
| 68 | T | 98.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.4 | -51.8 | 174.1 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | G64 F65 G70 I71 L72 A191 F192 G195 | G64-T68 PolarHBondContact O-N 3.17Å; G64-T68 VanDerWaalsContact O-N 3.11Å; G64-T68 PolarHBondContact O-OG1 3.32Å; F65-T68 WeakPolarHBondContact O-CB 3.32Å; F65-T68 PolarHBondContact O-N 3.45Å; T68-G70 PolarHBondContact O-N 3.27Å; T68-I71 PolarHBondContact O-N 2.92Å; T68-L72 HydrophobicContact CG2-CD1 4Å; T68-L72 HydrophobicContact CG2-CG 4.44Å; T68-L72 WeakPolarHBondContact O-CG 3.34Å; T68-L72 PolarHBondContact O-N 2.96Å; T68-A191 HydrophobicContact CG2-CB 4.45Å; T68-A191 PolarHBondContact OG1-O 3.07Å; T68-F192 HydrophobicContact CG2-CB 4.17Å; T68-F192 HydrophobicContact CG2-CD2 4.44Å; T68-G195 WeakPolarHBondContact OG1-CA 3.37Å |
| 69 | L | 98.2 | Very high | 96.6 | Very high | 81 Ų | 81 | 41.8 Ų | 41.8 | 42% | 0.424 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.6 | -40.8 | -178.8 | -69.3 | 174.8 | 0 | 0 | 0 | 112 | I34 F38 F65 A66 A67 I71 L72 V73 | I34-L69 HydrophobicContact CG2-CB 4Å; F38-L69 HydrophobicContact CD2-CD1 4.48Å; F38-L69 HydrophobicContact CE2-CD1 4.22Å; F65-L69 WeakPolarHBondContact O-CG 3.09Å; F65-L69 PolarHBondContact O-N 3.04Å; A66-L69 PolarHBondContact O-N 2.81Å; A67-L69 PolarHBondContact O-N 3.01Å; L69-I71 VanDerWaalsContact C-N 3.32Å; L69-I71 PolarHBondContact O-N 3.38Å; L69-L72 PolarHBondContact O-N 3.4Å; L69-V73 WeakPolarHBondContact O-CG2 3.26Å; L69-V73 PolarHBondContact O-N 2.71Å |
| 70 | G | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57 | -47.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A66 A67 T68 V73 C74 | A66-G70 PolarHBondContact O-N 3.42Å; A67-G70 PolarHBondContact O-N 3.05Å; T68-G70 PolarHBondContact O-N 3.27Å; G70-V73 PolarHBondContact O-N 2.77Å; G70-C74 PolarHBondContact O-N 2.91Å; G70-C74 PolarHBondContact O-SG 3.35Å |
| 71 | I | 97.9 | Very high | 96.5 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 179.7 | -62.9 | 167.6 | 0 | 0 | 0 | 110.3 | A67 T68 L69 V73 C74 G75 L82 A191 V194 | A67-I71 VanDerWaalsContact O-CG1 3.28Å; A67-I71 WeakPolarHBondContact O-CG1 3.47Å; A67-I71 PolarHBondContact O-N 3.26Å; T68-I71 PolarHBondContact O-N 2.92Å; L69-I71 VanDerWaalsContact C-N 3.32Å; L69-I71 PolarHBondContact O-N 3.38Å; I71-V73 VanDerWaalsContact C-N 3.26Å; I71-V73 PolarHBondContact O-N 2.85Å; I71-C74 PolarHBondContact O-N 3.44Å; I71-G75 WeakPolarHBondContact O-CA 3.41Å; I71-G75 PolarHBondContact O-N 2.94Å; I71-L82 HydrophobicContact CG1-CD1 3.67Å; I71-L82 HydrophobicContact CG1-CG 4.39Å; I71-A191 HydrophobicContact CB-CB 3.88Å; I71-A191 HydrophobicContact CG2-CB 3.59Å; I71-V194 HydrophobicContact CD1-CB 3.64Å; I71-V194 HydrophobicContact CD1-CG1 3.4Å; I71-V194 VanDerWaalsContact CD1-CG1 3.4Å; I71-V194 HydrophobicContact CD1-CG2 4.39Å |
| 72 | L | 96.8 | Very high | 96.5 | Very high | 106 Ų | 106 | 38.5 Ų | 38.5 | 56% | 0.555 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -59.6 | -36.9 | 177.2 | -73.6 | 173.9 | 0 | 0 | 0 | 112.5 | T68 L69 A191 | T68-L72 HydrophobicContact CG2-CD1 4Å; T68-L72 HydrophobicContact CG2-CG 4.44Å; T68-L72 WeakPolarHBondContact O-CG 3.34Å; T68-L72 PolarHBondContact O-N 2.96Å; L69-L72 PolarHBondContact O-N 3.4Å; L72-A191 HydrophobicContact CD2-CB 3.71Å; L72-A191 HydrophobicContact CG-CB 3.77Å |
| 73 | V | 95.5 | Very high | 96.5 | Very high | 73 Ų | 73 | 37.6 Ų | 37.6 | 44% | 0.442 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -72.7 | -36.7 | -178.2 | 166.4 | 0 | 0 | 0 | 0 | 112.8 | L30 I34 L69 G70 I71 | L30-V73 HydrophobicContact CD2-CG1 3.6Å; L30-V73 HydrophobicContact CG-CG1 3.86Å; I34-V73 HydrophobicContact CD1-CB 3.91Å; I34-V73 HydrophobicContact CD1-CG1 3.84Å; I34-V73 HydrophobicContact CD1-CG2 3.63Å; L69-V73 WeakPolarHBondContact O-CG2 3.26Å; L69-V73 PolarHBondContact O-N 2.71Å; G70-V73 PolarHBondContact O-N 2.77Å; I71-V73 VanDerWaalsContact C-N 3.26Å; I71-V73 PolarHBondContact O-N 2.85Å |
| 74 | C | 94.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -114.9 | -11.6 | -171.8 | 69.4 | 0 | 0 | 0 | 0 | 115.3 | A27 G70 I71 Q76 I77 S78 G80 L82 | A27-C74 VanDerWaalsContact C-CB 3.49Å; A27-C74 HydrophobicContact CB-CB 3.79Å; A27-C74 WeakPolarHBondContact O-CB 3.29Å; G70-C74 PolarHBondContact O-N 2.91Å; G70-C74 PolarHBondContact O-SG 3.35Å; I71-C74 PolarHBondContact O-N 3.44Å; C74-Q76 PolarHBondContact O-N 3.38Å; C74-I77 PolarHBondContact O-N 3.14Å; C74-I77 VanDerWaalsContact O-N 3.1Å; C74-S78 PolarHBondContact O-N 3.44Å; C74-S78 PolarHBondContact O-OG 2.96Å; C74-G80 VanDerWaalsContact SG-CA 3.56Å; C74-L82 WeakPolarHBondContact SG-CD2 3.31Å |
| 75 | G | 92.3 | Very high | 96.6 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 23% | 0.227 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.9 | -47.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I71 I77 S78 G79 | I71-G75 WeakPolarHBondContact O-CA 3.41Å; I71-G75 PolarHBondContact O-N 2.94Å; G75-I77 PolarHBondContact O-N 3.5Å; G75-I77 VanDerWaalsContact O-N 3.13Å; G75-S78 PolarHBondContact O-N 3.08Å; G75-G79 WeakPolarHBondContact O-CA 3.5Å; G75-G79 PolarHBondContact O-N 3.48Å |
| 76 | Q | 91.2 | Very high | 96.6 | Very high | 193 Ų | 193 | 32.9 Ų | 32.9 | 90% | 0.902 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -62.1 | -26 | -178.6 | -167.9 | 65.3 | 3.8 | 0 | 0 | 113.6 | C74 | C74-Q76 PolarHBondContact O-N 3.38Å |
| 77 | I | 93.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 32.8 Ų | 32.8 | 36% | 0.364 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -93.4 | -48.4 | -177.5 | -60.6 | 177.6 | 0 | 0 | 0 | 110.3 | R23 Q24 A27 C74 G75 | R23-I77 HydrophobicContact CG-CG2 3.81Å; Q24-I77 HydrophobicContact CG-CG2 4.43Å; Q24-I77 VanDerWaalsContact CG-O 3.3Å; Q24-I77 WeakPolarHBondContact CG-O 3.49Å; Q24-I77 PolarHBondContact NE2-O 3.17Å; A27-I77 HydrophobicContact CB-CB 3.93Å; A27-I77 HydrophobicContact CB-CD1 4.4Å; A27-I77 HydrophobicContact CB-CG2 3.88Å; C74-I77 PolarHBondContact O-N 3.14Å; C74-I77 VanDerWaalsContact O-N 3.1Å; G75-I77 PolarHBondContact O-N 3.5Å; G75-I77 VanDerWaalsContact O-N 3.13Å |
| 78 | S | 94.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -109.4 | -17.3 | -164.6 | 59.3 | 0 | 0 | 0 | 0 | 115.5 | E28 C74 G75 G80 Y104 | E28-S78 WeakPolarHBondContact OE1-CB 3.43Å; E28-S78 PolarHBondContact OE1-OG 2.76Å; E28-S78 VanDerWaalsContact OE1-OG 3.08Å; C74-S78 PolarHBondContact O-N 3.44Å; C74-S78 PolarHBondContact O-OG 2.96Å; G75-S78 PolarHBondContact O-N 3.08Å; S78-G80 VanDerWaalsContact C-N 3.32Å; S78-G80 PolarHBondContact OG-N 3.13Å; S78-G80 VanDerWaalsContact OG-N 3.17Å; S78-Y104 PolarHBondContact O-OH 3.38Å |
| 79 | G | 93.6 | Very high | 96.6 | Very high | 49 Ų | 49 | 33.9 Ų | 33.9 | 51% | 0.505 | 19% | 0.193 | S | C | . | . | trans | 92.5 | -15.4 | -165 | 0 | 0 | 0 | 0 | 0 | 113.3 | G75 | G75-G79 WeakPolarHBondContact O-CA 3.5Å; G75-G79 PolarHBondContact O-N 3.48Å | ||
| 80 | G | 96.1 | Very high | 96.5 | Very high | 9 Ų | 9 | 31 Ų | 31 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | trans | 67 | 50.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E28 C74 S78 | E28-G80 PolarHBondContact OE1-N 2.87Å; C74-G80 VanDerWaalsContact SG-CA 3.56Å; S78-G80 VanDerWaalsContact C-N 3.32Å; S78-G80 PolarHBondContact OG-N 3.13Å; S78-G80 VanDerWaalsContact OG-N 3.17Å | ||
| 81 | H | 98 | Very high | 96.5 | Very high | 17 Ų | 17 | 31 Ų | 31 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | trans | -73.8 | -44.8 | -178.4 | -60.1 | 178.4 | 0 | 0 | 0 | 111.4 | E28 N83 V86 T87 L90 Y104 | E28-H81 PolarHBondContact OE1-N 2.91Å; H81-N83 WeakPolarHBondContact O-CB 3.21Å; H81-N83 PolarHBondContact O-N 3.1Å; H81-V86 HydrophobicContact CB-CG1 4.25Å; H81-T87 WeakPolarHBondContact CB-OG1 3.46Å; H81-T87 PolarHBondContact ND1-OG1 3.49Å; H81-L90 VanDerWaalsContact NE2-CD1 3.32Å; H81-L90 WeakPolarHBondContact NE2-CD1 3.2Å; H81-Y104 HydrophobicContact CB-CD1 4.47Å; H81-Y104 AromaticContact CE1-CE1 3.7Å; H81-Y104 AromaticContact ND1-CD1 3.54Å; H81-Y104 AromaticContact ND1-CE1 3.49Å; H81-Y104 WeakPolarHBondContact ND1-CE1 3.46Å | ||
| 82 | L | 98.2 | Very high | 96.5 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | trans | 56.6 | 0.5 | 178.8 | -50.8 | -177.1 | 0 | 0 | 0 | 116 | E28 G31 T32 L35 I71 C74 N214 | E28-L82 WeakPolarHBondContact OE2-CA 3.44Å; E28-L82 PolarHBondContact OE2-N 3.09Å; G31-L82 VanDerWaalsContact CA-CD2 3.5Å; T32-L82 WeakPolarHBondContact OG1-CA 3.39Å; T32-L82 PolarHBondContact OG1-O 3.22Å; L35-L82 HydrophobicContact CD2-CB 4.47Å; I71-L82 HydrophobicContact CG1-CD1 3.67Å; I71-L82 HydrophobicContact CG1-CG 4.39Å; C74-L82 WeakPolarHBondContact SG-CD2 3.31Å; L82-N214 PolarHBondContact O-ND2 3.05Å | ||
| 83 | N | 98.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -148 | 123.6 | -164.9 | -176.3 | -15 | 0 | 0 | 0 | 109.3 | H81 A85 V86 T87 V213 N214 P215 | H81-N83 WeakPolarHBondContact O-CB 3.21Å; H81-N83 PolarHBondContact O-N 3.1Å; N83-A85 VanDerWaalsContact C-N 3.27Å; N83-A85 PolarHBondContact O-N 3.42Å; N83-A85 WeakPolarHBondContact OD1-CB 3.49Å; N83-A85 PolarHBondContact OD1-N 2.98Å; N83-V86 HydrophobicContact CB-CB 4.02Å; N83-V86 HydrophobicContact CB-CG2 3.72Å; N83-V86 PolarHBondContact O-N 3.35Å; N83-T87 PolarHBondContact O-N 3.05Å; N83-T87 PolarHBondContact O-OG1 2.94Å; N83-T87 VanDerWaalsContact O-OG1 3.05Å; N83-V213 PolarHBondContact ND2-O 3Å; N83-N214 HydrophobicContact CB-CB 4.31Å; N83-N214 WeakPolarHBondContact CB-ND2 3.43Å; N83-N214 VanDerWaalsContact CG-CG 3.44Å; N83-N214 WeakPolarHBondContact ND2-CB 3.46Å; N83-N214 WeakPolarHBondContact OD1-CA 3Å; N83-P215 WeakPolarHBondContact OD1-CD 3.48Å |
| 84 | P | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.7 | -37.6 | 174.9 | -27.8 | 35.8 | 0 | 0 | 0 | 113.1 | V86 T87 F88 F101 F105 Q108 N214 P215 A216 F250 | P84-V86 PolarHBondContact O-N 3.29Å; P84-T87 PolarHBondContact O-N 3.26Å; P84-F88 VanDerWaalsContact O-CB 3.24Å; P84-F88 WeakPolarHBondContact O-CB 3.45Å; P84-F88 PolarHBondContact O-N 3.43Å; P84-F101 WeakPolarHBondContact O-CE2 3.37Å; P84-F105 HydrophobicContact CB-CB 4.35Å; P84-F105 HydrophobicContact CB-CD1 4.02Å; P84-F105 HydrophobicContact CB-CD2 3.87Å; P84-F105 HydrophobicContact CB-CE1 4.29Å; P84-F105 HydrophobicContact CB-CE2 4.19Å; P84-F105 HydrophobicContact CB-CG 3.82Å; P84-F105 HydrophobicContact CB-CZ 4.39Å; P84-F105 HydrophobicContact CG-CB 4.33Å; P84-F105 HydrophobicContact CG-CD1 4.38Å; P84-F105 HydrophobicContact CG-CD2 3.31Å; P84-F105 HydrophobicContact CG-CE2 3.67Å; P84-F105 HydrophobicContact CG-CG 3.76Å; P84-F105 HydrophobicContact CG-CZ 4.32Å; P84-Q108 VanDerWaalsContact CG-OE1 3.28Å; P84-Q108 VanDerWaalsContact N-OE1 3.09Å; P84-N214 VanDerWaalsContact CD-OD1 3.3Å; P84-N214 WeakPolarHBondContact CD-OD1 3.49Å; P84-P215 HydrophobicContact CB-CB 4.24Å; P84-P215 HydrophobicContact CB-CG 4.24Å; P84-P215 HydrophobicContact CG-CB 4.1Å; P84-A216 HydrophobicContact CG-CB 3.71Å; P84-F250 HydrophobicContact CB-CE1 4.04Å; P84-F250 HydrophobicContact CB-CZ 3.84Å |
| 85 | A | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N83 F88 S89 T167 P249 A253 | N83-A85 VanDerWaalsContact C-N 3.27Å; N83-A85 PolarHBondContact O-N 3.42Å; N83-A85 WeakPolarHBondContact OD1-CB 3.49Å; N83-A85 PolarHBondContact OD1-N 2.98Å; A85-F88 PolarHBondContact O-N 3.41Å; A85-S89 PolarHBondContact O-N 3.38Å; A85-T167 HydrophobicContact CB-CG2 3.93Å; A85-P249 HydrophobicContact CB-CB 3.99Å; A85-A253 HydrophobicContact CB-CB 4.26Å |
| 86 | V | 98.5 | Very high | 96.1 | Very high | 9 Ų | 9 | 35 Ų | 35 | 6% | 0.055 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.5 | -47.7 | 173.6 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | H81 N83 P84 F88 S89 L90 I171 I174 | H81-V86 HydrophobicContact CB-CG1 4.25Å; N83-V86 HydrophobicContact CB-CB 4.02Å; N83-V86 HydrophobicContact CB-CG2 3.72Å; N83-V86 PolarHBondContact O-N 3.35Å; P84-V86 PolarHBondContact O-N 3.29Å; V86-F88 PolarHBondContact O-N 2.89Å; V86-S89 PolarHBondContact O-N 3.23Å; V86-L90 HydrophobicContact CG1-CD1 4.24Å; V86-L90 WeakPolarHBondContact O-CG 3.07Å; V86-L90 PolarHBondContact O-N 3.05Å; V86-I171 HydrophobicContact CB-CD1 4.29Å; V86-I171 HydrophobicContact CG2-CD1 3.82Å; V86-I174 HydrophobicContact CG1-CD1 4.42Å; V86-I174 HydrophobicContact CG1-CG2 4.49Å; V86-I174 HydrophobicContact CG2-CD1 3.6Å |
| 87 | T | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 177.2 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | H81 N83 P84 L90 C91 F101 Y104 Q108 | H81-T87 WeakPolarHBondContact CB-OG1 3.46Å; H81-T87 PolarHBondContact ND1-OG1 3.49Å; N83-T87 PolarHBondContact O-N 3.05Å; N83-T87 PolarHBondContact O-OG1 2.94Å; N83-T87 VanDerWaalsContact O-OG1 3.05Å; P84-T87 PolarHBondContact O-N 3.26Å; T87-L90 PolarHBondContact O-N 3.01Å; T87-C91 PolarHBondContact O-N 3.09Å; T87-C91 PolarHBondContact O-SG 3.46Å; T87-F101 HydrophobicContact CG2-CD2 3.95Å; T87-Y104 HydrophobicContact CG2-CD1 4Å; T87-Y104 HydrophobicContact CG2-CG 4.17Å; T87-Q108 PolarHBondContact OG1-NE2 3.25Å |
| 88 | F | 98.6 | Very high | 96.5 | Very high | 38 Ų | 38 | 37.5 Ų | 37.5 | 17% | 0.167 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -47.7 | 177.4 | -174.6 | -102.5 | 0 | 0 | 0 | 112 | P84 A85 V86 L90 C91 L92 W98 F101 F250 A253 I254 | P84-F88 VanDerWaalsContact O-CB 3.24Å; P84-F88 WeakPolarHBondContact O-CB 3.45Å; P84-F88 PolarHBondContact O-N 3.43Å; A85-F88 PolarHBondContact O-N 3.41Å; V86-F88 PolarHBondContact O-N 2.89Å; F88-L90 VanDerWaalsContact C-N 3.33Å; F88-L90 PolarHBondContact O-N 3.34Å; F88-C91 WeakPolarHBondContact O-CB 3.33Å; F88-C91 PolarHBondContact O-N 3.47Å; F88-C91 VanDerWaalsContact O-N 3.09Å; F88-L92 HydrophobicContact CD1-CD1 3.91Å; F88-L92 HydrophobicContact CD1-CG 4.24Å; F88-L92 HydrophobicContact CE1-CD1 3.64Å; F88-L92 HydrophobicContact CE1-CD2 4.22Å; F88-L92 HydrophobicContact CE1-CG 4.01Å; F88-L92 HydrophobicContact CZ-CD1 4.44Å; F88-L92 HydrophobicContact CZ-CD2 4.21Å; F88-L92 HydrophobicContact CZ-CG 4.41Å; F88-L92 WeakPolarHBondContact O-CG 3.34Å; F88-L92 PolarHBondContact O-N 3.44Å; F88-W98 HydrophobicContact CD2-CH2 4.12Å; F88-W98 AromaticContact CD2-CZ3 3.82Å; F88-W98 HydrophobicContact CD2-CZ3 3.82Å; F88-W98 AromaticContact CE2-CH2 3.76Å; F88-W98 HydrophobicContact CE2-CH2 3.76Å; F88-W98 AromaticContact CE2-CZ3 3.65Å; F88-W98 HydrophobicContact CE2-CZ3 3.65Å; F88-W98 HydrophobicContact CZ-CH2 4.29Å; F88-F101 HydrophobicContact CB-CD2 4.3Å; F88-F101 HydrophobicContact CB-CE2 3.78Å; F88-F101 HydrophobicContact CB-CZ 4.45Å; F88-F101 HydrophobicContact CD2-CE2 4.07Å; F88-F101 HydrophobicContact CD2-CZ 4.06Å; F88-F101 HydrophobicContact CG-CE2 4.41Å; F88-F250 HydrophobicContact CB-CD1 3.9Å; F88-F250 HydrophobicContact CB-CE1 3.98Å; F88-F250 HydrophobicContact CD1-CD1 4.02Å; F88-F250 HydrophobicContact CD2-CD1 4.25Å; F88-F250 AromaticContact CG-CD1 3.81Å; F88-F250 HydrophobicContact CG-CD1 3.81Å; F88-F250 HydrophobicContact CG-CE1 4.23Å; F88-A253 HydrophobicContact CD1-CB 4.37Å; F88-I254 HydrophobicContact CE1-CD1 4.15Å; F88-I254 HydrophobicContact CE1-CG1 3.76Å |
| 89 | S | 98.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.9 | -44.8 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 112.4 | A85 V86 C91 L92 L93 I171 T257 | A85-S89 PolarHBondContact O-N 3.38Å; V86-S89 PolarHBondContact O-N 3.23Å; S89-C91 VanDerWaalsContact C-N 3.3Å; S89-C91 PolarHBondContact O-N 2.98Å; S89-L92 WeakPolarHBondContact O-CB 3.26Å; S89-L92 PolarHBondContact O-N 2.85Å; S89-L93 PolarHBondContact O-N 2.91Å; S89-L93 VanDerWaalsContact O-N 3.11Å; S89-I171 WeakPolarHBondContact OG-CG2 3.35Å; S89-T257 WeakPolarHBondContact CB-OG1 3.49Å; S89-T257 PolarHBondContact OG-OG1 3.23Å |
| 90 | L | 97.6 | Very high | 96.5 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67 | -30.5 | 177.4 | -64.7 | 174.8 | 0 | 0 | 0 | 112.8 | H81 V86 T87 F88 G94 R95 E96 L175 | H81-L90 VanDerWaalsContact NE2-CD1 3.32Å; H81-L90 WeakPolarHBondContact NE2-CD1 3.2Å; V86-L90 HydrophobicContact CG1-CD1 4.24Å; V86-L90 WeakPolarHBondContact O-CG 3.07Å; V86-L90 PolarHBondContact O-N 3.05Å; T87-L90 PolarHBondContact O-N 3.01Å; F88-L90 VanDerWaalsContact C-N 3.33Å; F88-L90 PolarHBondContact O-N 3.34Å; L90-G94 PolarHBondContact O-N 3.27Å; L90-R95 HydrophobicContact CD2-CB 4.4Å; L90-R95 PolarHBondContact O-N 2.94Å; L90-E96 HydrophobicContact CB-CB 4.22Å; L90-E96 HydrophobicContact CB-CG 4.19Å; L90-E96 PolarHBondContact O-N 2.73Å; L90-E96 VanDerWaalsContact O-N 3.08Å; L90-L175 HydrophobicContact CD2-CD2 4.31Å |
| 91 | C | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.4 | -39 | 171.6 | -66 | 0 | 0 | 0 | 0 | 112.1 | T87 F88 S89 L93 G94 W98 | T87-C91 PolarHBondContact O-N 3.09Å; T87-C91 PolarHBondContact O-SG 3.46Å; F88-C91 WeakPolarHBondContact O-CB 3.33Å; F88-C91 PolarHBondContact O-N 3.47Å; F88-C91 VanDerWaalsContact O-N 3.09Å; S89-C91 VanDerWaalsContact C-N 3.3Å; S89-C91 PolarHBondContact O-N 2.98Å; C91-L93 VanDerWaalsContact C-N 3.27Å; C91-L93 PolarHBondContact O-N 3.23Å; C91-G94 PolarHBondContact O-N 3.08Å; C91-W98 HydrophobicContact CB-CD2 3.77Å; C91-W98 HydrophobicContact CB-CE3 3.78Å; C91-W98 HydrophobicContact CB-CG 4.44Å; C91-W98 HydrophobicContact CB-CH2 3.88Å; C91-W98 HydrophobicContact CB-CZ2 3.86Å; C91-W98 HydrophobicContact CB-CZ3 3.83Å |
| 92 | L | 97.1 | Very high | 96.6 | Very high | 76 Ų | 76 | 50.1 Ų | 50.1 | 40% | 0.398 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 175 | -69.8 | 174.7 | 0 | 0 | 0 | 111.8 | F88 S89 G94 W98 I254 | F88-L92 HydrophobicContact CD1-CD1 3.91Å; F88-L92 HydrophobicContact CD1-CG 4.24Å; F88-L92 HydrophobicContact CE1-CD1 3.64Å; F88-L92 HydrophobicContact CE1-CD2 4.22Å; F88-L92 HydrophobicContact CE1-CG 4.01Å; F88-L92 HydrophobicContact CZ-CD1 4.44Å; F88-L92 HydrophobicContact CZ-CD2 4.21Å; F88-L92 HydrophobicContact CZ-CG 4.41Å; F88-L92 WeakPolarHBondContact O-CG 3.34Å; F88-L92 PolarHBondContact O-N 3.44Å; S89-L92 WeakPolarHBondContact O-CB 3.26Å; S89-L92 PolarHBondContact O-N 2.85Å; L92-G94 PolarHBondContact O-N 2.75Å; L92-W98 HydrophobicContact CD2-CH2 3.82Å; L92-W98 HydrophobicContact CD2-CZ2 3.96Å; L92-W98 HydrophobicContact CG-CH2 4.24Å; L92-W98 HydrophobicContact CG-CZ2 4.47Å; L92-I254 HydrophobicContact CD1-CG1 3.91Å |
| 93 | L | 93.8 | Very high | 96.5 | Very high | 46 Ų | 46 | 53.3 Ų | 53.3 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -1.8 | 176.9 | -67.6 | 176.7 | 0 | 0 | 0 | 114 | S89 C91 R95 L175 T257 Q261 | S89-L93 PolarHBondContact O-N 2.91Å; S89-L93 VanDerWaalsContact O-N 3.11Å; C91-L93 VanDerWaalsContact C-N 3.27Å; C91-L93 PolarHBondContact O-N 3.23Å; L93-R95 HydrophobicContact CB-CG 4.01Å; L93-R95 PolarHBondContact O-N 2.88Å; L93-R95 VanDerWaalsContact O-N 3.09Å; L93-L175 HydrophobicContact CD1-CD1 3.98Å; L93-L175 HydrophobicContact CD1-CD2 3.42Å; L93-L175 VanDerWaalsContact CD1-CD2 3.42Å; L93-L175 HydrophobicContact CD1-CG 4.36Å; L93-T257 HydrophobicContact CD1-CG2 4.1Å; L93-T257 HydrophobicContact CD2-CG2 3.48Å; L93-T257 VanDerWaalsContact CD2-CG2 3.48Å; L93-T257 HydrophobicContact CG-CG2 3.63Å; L93-Q261 HydrophobicContact CD2-CG 3.66Å |
| 94 | G | 92.6 | Very high | 96.5 | Very high | 64 Ų | 64 | 53 Ų | 53 | 66% | 0.66 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 5.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L90 C91 L92 E96 | L90-G94 PolarHBondContact O-N 3.27Å; C91-G94 PolarHBondContact O-N 3.08Å; L92-G94 PolarHBondContact O-N 2.75Å; G94-E96 PolarHBondContact O-N 3.34Å |
| 95 | R | 91.4 | Very high | 96.5 | Very high | 89 Ų | 89 | 55.1 Ų | 55.1 | 34% | 0.336 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -68.1 | -24.6 | 173.9 | -65.1 | -176.8 | -179.4 | -176 | 0.3 | 111.1 | L90 L93 D179 E269 | L90-R95 HydrophobicContact CD2-CB 4.4Å; L90-R95 PolarHBondContact O-N 2.94Å; L93-R95 HydrophobicContact CB-CG 4.01Å; L93-R95 PolarHBondContact O-N 2.88Å; L93-R95 VanDerWaalsContact O-N 3.09Å; R95-D179 IonicContact NH2-OD2 2.86Å; R95-E269 IonicContact NH2-OE1 3.02Å |
| 96 | E | 94.4 | Very high | 96.5 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 17% | 0.173 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -130.2 | 150.3 | 174.8 | -80.2 | -68 | -170.8 | 0 | 0 | 114.2 | L90 G94 K100 | L90-E96 HydrophobicContact CB-CB 4.22Å; L90-E96 HydrophobicContact CB-CG 4.19Å; L90-E96 PolarHBondContact O-N 2.73Å; L90-E96 VanDerWaalsContact O-N 3.08Å; G94-E96 PolarHBondContact O-N 3.34Å; E96-K100 IonicContact OE1-NZ 2.69Å; E96-K100 PolarHBondContact OE1-NZ 3.24Å; E96-K100 WeakPolarHBondContact OE2-CD 3.28Å; E96-K100 WeakPolarHBondContact OE2-CE 3.43Å; E96-K100 IonicContact OE2-NZ 3.67Å; E96-K100 PolarHBondContact OE2-NZ 3.35Å |
| 97 | R | 95.5 | Very high | 96.5 | Very high | 184 Ų | 184 | 60.9 Ų | 60.9 | 69% | 0.694 | 29% | 0.288 | S | S | * | . | trans | -78.4 | 130.7 | 179.1 | -63.6 | -177.7 | -176.2 | 174.6 | 1.4 | 110.2 | R99 K100 | R97-R99 PolarHBondContact O-N 2.86Å; R97-K100 HydrophobicContact CB-CG 4.42Å; R97-K100 WeakPolarHBondContact O-CB 3.41Å; R97-K100 PolarHBondContact O-N 3.35Å | ||
| 98 | W | 96.5 | Very high | 96.5 | Very high | 132 Ų | 132 | 60.9 Ų | 60.9 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -31.1 | 176.6 | -73.3 | 100.3 | 0 | 0 | 0 | 115.2 | F88 C91 L92 K100 F101 P102 | F88-W98 HydrophobicContact CD2-CH2 4.12Å; F88-W98 AromaticContact CD2-CZ3 3.82Å; F88-W98 HydrophobicContact CD2-CZ3 3.82Å; F88-W98 AromaticContact CE2-CH2 3.76Å; F88-W98 HydrophobicContact CE2-CH2 3.76Å; F88-W98 AromaticContact CE2-CZ3 3.65Å; F88-W98 HydrophobicContact CE2-CZ3 3.65Å; F88-W98 HydrophobicContact CZ-CH2 4.29Å; C91-W98 HydrophobicContact CB-CD2 3.77Å; C91-W98 HydrophobicContact CB-CE3 3.78Å; C91-W98 HydrophobicContact CB-CG 4.44Å; C91-W98 HydrophobicContact CB-CH2 3.88Å; C91-W98 HydrophobicContact CB-CZ2 3.86Å; C91-W98 HydrophobicContact CB-CZ3 3.83Å; L92-W98 HydrophobicContact CD2-CH2 3.82Å; L92-W98 HydrophobicContact CD2-CZ2 3.96Å; L92-W98 HydrophobicContact CG-CH2 4.24Å; L92-W98 HydrophobicContact CG-CZ2 4.47Å; W98-K100 PolarHBondContact O-N 3.49Å; W98-F101 WeakPolarHBondContact O-CB 3.37Å; W98-F101 PolarHBondContact O-N 3.36Å; W98-F101 VanDerWaalsContact O-N 3.17Å; W98-P102 VanDerWaalsContact O-CD 3.29Å; W98-P102 WeakPolarHBondContact O-CD 3.1Å |
| 99 | R | 94 | Very high | 96.5 | Very high | 189 Ų | 189 | 59.7 Ų | 59.7 | 71% | 0.713 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.2 | 175.4 | -167.7 | 176 | 69.2 | -177.5 | 1.4 | 113.3 | R97 | R97-R99 PolarHBondContact O-N 2.86Š|
| 100 | K | 94.4 | Very high | 96.6 | Very high | 37 Ų | 37 | 62.4 Ų | 62.4 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.3 | -34.1 | 176.2 | -61.5 | -157.3 | -170.3 | 166.6 | 0 | 112.2 | L21 E96 R97 W98 M103 Y104 | L21-K100 HydrophobicContact CD1-CB 4.11Å; L21-K100 HydrophobicContact CD1-CD 4.28Å; L21-K100 HydrophobicContact CD1-CG 3.85Å; E96-K100 IonicContact OE1-NZ 2.69Å; E96-K100 PolarHBondContact OE1-NZ 3.24Å; E96-K100 WeakPolarHBondContact OE2-CD 3.28Å; E96-K100 WeakPolarHBondContact OE2-CE 3.43Å; E96-K100 IonicContact OE2-NZ 3.67Å; E96-K100 PolarHBondContact OE2-NZ 3.35Å; R97-K100 HydrophobicContact CB-CG 4.42Å; R97-K100 WeakPolarHBondContact O-CB 3.41Å; R97-K100 PolarHBondContact O-N 3.35Å; W98-K100 PolarHBondContact O-N 3.49Å; K100-M103 PolarHBondContact O-N 3.5Å; K100-M103 VanDerWaalsContact O-N 3.14Å; K100-Y104 HydrophobicContact CB-CD2 4.14Å; K100-Y104 HydrophobicContact CB-CE2 4.18Å; K100-Y104 HydrophobicContact CD-CE2 4.08Å; K100-Y104 WeakPolarHBondContact O-CD2 3.49Å; K100-Y104 PolarHBondContact O-N 3.01Å |
| 101 | F | 97.7 | Very high | 96.6 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -50.5 | -54.1 | -174.4 | 176.7 | -107.1 | 0 | 0 | 0 | 114.4 | P84 T87 F88 W98 M103 Y104 F105 F250 | P84-F101 WeakPolarHBondContact O-CE2 3.37Å; T87-F101 HydrophobicContact CG2-CD2 3.95Å; F88-F101 HydrophobicContact CB-CD2 4.3Å; F88-F101 HydrophobicContact CB-CE2 3.78Å; F88-F101 HydrophobicContact CB-CZ 4.45Å; F88-F101 HydrophobicContact CD2-CE2 4.07Å; F88-F101 HydrophobicContact CD2-CZ 4.06Å; F88-F101 HydrophobicContact CG-CE2 4.41Å; W98-F101 WeakPolarHBondContact O-CB 3.37Å; W98-F101 PolarHBondContact O-N 3.36Å; W98-F101 VanDerWaalsContact O-N 3.17Å; F101-M103 VanDerWaalsContact C-N 3.31Å; F101-M103 PolarHBondContact O-N 2.87Å; F101-Y104 PolarHBondContact O-N 2.97Å; F101-F105 HydrophobicContact CE1-CD1 4.33Å; F101-F105 AromaticContact CZ-CD1 3.92Å; F101-F105 HydrophobicContact CZ-CD1 3.92Å; F101-F105 WeakPolarHBondContact O-CB 3.4Å; F101-F105 PolarHBondContact O-N 3.49Å; F101-F250 HydrophobicContact CE2-CE1 4Å; F101-F250 AromaticContact CZ-CE1 3.76Å; F101-F250 HydrophobicContact CZ-CE1 3.76Å; F101-F250 HydrophobicContact CZ-CZ 4.03Å |
| 102 | P | 97.7 | Very high | 96.7 | Very high | 78 Ų | 78 | 61.4 Ų | 61.4 | 51% | 0.506 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65 | -34.2 | -178.7 | 24.7 | -34.6 | 0 | 0 | 0 | 112.9 | W98 L106 | W98-P102 VanDerWaalsContact O-CD 3.29Å; W98-P102 WeakPolarHBondContact O-CD 3.1Å; P102-L106 VanDerWaalsContact O-CB 3.32Å; P102-L106 WeakPolarHBondContact O-CB 3.17Å; P102-L106 PolarHBondContact O-N 3.03Å |
| 103 | M | 97.1 | Very high | 96.8 | Very high | 73 Ų | 73 | 60.2 Ų | 60.2 | 36% | 0.36 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 175.7 | -86 | -66.3 | -153.3 | 0 | 0 | 111.7 | L21 K100 F101 L106 F107 | L21-M103 HydrophobicContact CD1-CB 4.22Å; L21-M103 HydrophobicContact CD2-CB 4.42Å; L21-M103 HydrophobicContact CD2-CG 3.94Å; L21-M103 HydrophobicContact CG-CB 4.34Å; L21-M103 HydrophobicContact CG-CG 4.22Å; K100-M103 PolarHBondContact O-N 3.5Å; K100-M103 VanDerWaalsContact O-N 3.14Å; F101-M103 VanDerWaalsContact C-N 3.31Å; F101-M103 PolarHBondContact O-N 2.87Å; M103-L106 PolarHBondContact O-N 3.39Å; M103-F107 WeakPolarHBondContact O-CD2 3.25Å; M103-F107 PolarHBondContact O-N 3.23Å; M103-F107 HydrophobicContact SD-CD2 4.39Å; M103-F107 HydrophobicContact SD-CE2 4.02Å |
| 104 | Y | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -49.1 | 177.5 | -88.8 | -129.8 | 0 | 0 | 0 | 110.6 | L21 Q24 E28 S78 H81 T87 K100 F101 L106 F107 Q108 | L21-Y104 HydrophobicContact CD1-CE2 4.24Å; Q24-Y104 HydrophobicContact CB-CE2 3.86Å; Q24-Y104 WeakPolarHBondContact CB-OH 3.36Å; Q24-Y104 PolarHBondContact OE1-OH 2.89Å; E28-Y104 HydrophobicContact CG-CD1 3.55Å; E28-Y104 HydrophobicContact CG-CE1 3.52Å; E28-Y104 HydrophobicContact CG-CG 4.14Å; S78-Y104 PolarHBondContact O-OH 3.38Å; H81-Y104 HydrophobicContact CB-CD1 4.47Å; H81-Y104 AromaticContact CE1-CE1 3.7Å; H81-Y104 AromaticContact ND1-CD1 3.54Å; H81-Y104 AromaticContact ND1-CE1 3.49Å; H81-Y104 WeakPolarHBondContact ND1-CE1 3.46Å; T87-Y104 HydrophobicContact CG2-CD1 4Å; T87-Y104 HydrophobicContact CG2-CG 4.17Å; K100-Y104 HydrophobicContact CB-CD2 4.14Å; K100-Y104 HydrophobicContact CB-CE2 4.18Å; K100-Y104 HydrophobicContact CD-CE2 4.08Å; K100-Y104 WeakPolarHBondContact O-CD2 3.49Å; K100-Y104 PolarHBondContact O-N 3.01Å; F101-Y104 PolarHBondContact O-N 2.97Å; Y104-L106 VanDerWaalsContact C-N 3.34Å; Y104-L106 PolarHBondContact O-N 3.31Å; Y104-F107 PolarHBondContact O-N 3.26Å; Y104-Q108 VanDerWaalsContact O-CB 3.26Å; Y104-Q108 WeakPolarHBondContact O-CB 3.37Å; Y104-Q108 VanDerWaalsContact O-CD 3.24Å; Y104-Q108 WeakPolarHBondContact O-CG 3.38Å; Y104-Q108 PolarHBondContact O-N 3.29Å; Y104-Q108 PolarHBondContact O-OE1 3.4Å |
| 105 | F | 98.6 | Very high | 97.3 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 20% | 0.197 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 178.5 | -168.4 | 170.3 | 0 | 0 | 0 | 110.9 | P84 F101 F107 T109 P215 F250 | P84-F105 HydrophobicContact CB-CB 4.35Å; P84-F105 HydrophobicContact CB-CD1 4.02Å; P84-F105 HydrophobicContact CB-CD2 3.87Å; P84-F105 HydrophobicContact CB-CE1 4.29Å; P84-F105 HydrophobicContact CB-CE2 4.19Å; P84-F105 HydrophobicContact CB-CG 3.82Å; P84-F105 HydrophobicContact CB-CZ 4.39Å; P84-F105 HydrophobicContact CG-CB 4.33Å; P84-F105 HydrophobicContact CG-CD1 4.38Å; P84-F105 HydrophobicContact CG-CD2 3.31Å; P84-F105 HydrophobicContact CG-CE2 3.67Å; P84-F105 HydrophobicContact CG-CG 3.76Å; P84-F105 HydrophobicContact CG-CZ 4.32Å; F101-F105 HydrophobicContact CE1-CD1 4.33Å; F101-F105 AromaticContact CZ-CD1 3.92Å; F101-F105 HydrophobicContact CZ-CD1 3.92Å; F101-F105 WeakPolarHBondContact O-CB 3.4Å; F101-F105 PolarHBondContact O-N 3.49Å; F105-F107 PolarHBondContact O-N 2.79Å; F105-T109 WeakPolarHBondContact CD2-OG1 3.18Å; F105-T109 WeakPolarHBondContact CE2-OG1 3.47Å; F105-T109 WeakPolarHBondContact O-CB 3.46Å; F105-T109 PolarHBondContact O-N 2.88Å; F105-T109 PolarHBondContact O-OG1 3.09Å; F105-P215 HydrophobicContact CE2-CB 4.35Å; F105-P215 HydrophobicContact CZ-CB 4.17Å; F105-F250 HydrophobicContact CD1-CZ 4.3Å; F105-F250 HydrophobicContact CE1-CE2 4.21Å; F105-F250 AromaticContact CE1-CZ 3.76Å; F105-F250 HydrophobicContact CE1-CZ 3.76Å; F105-F250 HydrophobicContact CZ-CZ 4.36Å |
| 106 | L | 98.5 | Very high | 97.6 | Very high | 95 Ų | 95 | 55.7 Ų | 55.7 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.4 | -50.8 | 177.9 | 178.2 | 61.8 | 0 | 0 | 0 | 111.9 | P102 M103 Y104 T109 I110 | P102-L106 VanDerWaalsContact O-CB 3.32Å; P102-L106 WeakPolarHBondContact O-CB 3.17Å; P102-L106 PolarHBondContact O-N 3.03Å; M103-L106 PolarHBondContact O-N 3.39Å; Y104-L106 VanDerWaalsContact C-N 3.34Å; Y104-L106 PolarHBondContact O-N 3.31Å; L106-T109 WeakPolarHBondContact O-CB 3.41Å; L106-T109 PolarHBondContact O-N 2.78Å; L106-I110 HydrophobicContact CD1-CD1 4Å; L106-I110 HydrophobicContact CD1-CG1 4.38Å; L106-I110 HydrophobicContact CG-CD1 3.89Å; L106-I110 VanDerWaalsContact O-CG1 3.29Å; L106-I110 WeakPolarHBondContact O-CG1 3.39Å; L106-I110 PolarHBondContact O-N 2.89Å |
| 107 | F | 98.6 | Very high | 97.9 | Very high | 34 Ų | 34 | 55.4 Ų | 55.4 | 15% | 0.149 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74 | -33.2 | -175.8 | -85.4 | -103 | 0 | 0 | 0 | 113.6 | L22 A25 L26 C29 M103 Y104 F105 T109 I110 G111 | L22-F107 HydrophobicContact CD1-CE1 4.37Å; L22-F107 HydrophobicContact CD1-CZ 3.9Å; A25-F107 HydrophobicContact CB-CB 3.99Å; A25-F107 HydrophobicContact CB-CD1 4.04Å; A25-F107 HydrophobicContact CB-CD2 3.69Å; A25-F107 HydrophobicContact CB-CE1 4.46Å; A25-F107 HydrophobicContact CB-CE2 4.13Å; A25-F107 HydrophobicContact CB-CG 3.63Å; A25-F107 HydrophobicContact CB-CZ 4.5Å; A25-F107 WeakPolarHBondContact O-CB 3.47Å; A25-F107 WeakPolarHBondContact O-CD1 3.26Å; L26-F107 HydrophobicContact CD2-CD1 4.23Å; L26-F107 HydrophobicContact CD2-CE1 3.73Å; L26-F107 HydrophobicContact CG-CE1 4.13Å; C29-F107 VanDerWaalsContact CA-O 3.31Å; C29-F107 WeakPolarHBondContact CA-O 3.33Å; C29-F107 HydrophobicContact CB-CB 4.12Å; C29-F107 HydrophobicContact CB-CD1 3.98Å; C29-F107 WeakPolarHBondContact CB-O 3.3Å; M103-F107 WeakPolarHBondContact O-CD2 3.25Å; M103-F107 PolarHBondContact O-N 3.23Å; M103-F107 HydrophobicContact SD-CD2 4.39Å; M103-F107 HydrophobicContact SD-CE2 4.02Å; Y104-F107 PolarHBondContact O-N 3.26Å; F105-F107 PolarHBondContact O-N 2.79Å; F107-T109 VanDerWaalsContact C-N 3.29Å; F107-T109 PolarHBondContact O-N 2.86Å; F107-I110 PolarHBondContact O-N 2.88Å; F107-G111 PolarHBondContact O-N 2.97Å |
| 108 | Q | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 169.1 | -70.4 | 159.2 | -5.9 | 0 | 0 | 110 | E28 T32 P84 T87 Y104 G111 A112 A216 | E28-Q108 HydrophobicContact CB-CG 4.07Å; E28-Q108 WeakPolarHBondContact OE2-CG 3.37Å; E28-Q108 PolarHBondContact OE2-NE2 3.49Å; T32-Q108 HydrophobicContact CG2-CB 4.42Å; T32-Q108 VanDerWaalsContact CG2-O 3.23Å; T32-Q108 WeakPolarHBondContact CG2-O 3.41Å; P84-Q108 VanDerWaalsContact CG-OE1 3.28Å; P84-Q108 VanDerWaalsContact N-OE1 3.09Å; T87-Q108 PolarHBondContact OG1-NE2 3.25Å; Y104-Q108 VanDerWaalsContact O-CB 3.26Å; Y104-Q108 WeakPolarHBondContact O-CB 3.37Å; Y104-Q108 VanDerWaalsContact O-CD 3.24Å; Y104-Q108 WeakPolarHBondContact O-CG 3.38Å; Y104-Q108 PolarHBondContact O-N 3.29Å; Y104-Q108 PolarHBondContact O-OE1 3.4Å; Q108-G111 PolarHBondContact O-N 3.31Å; Q108-A112 WeakPolarHBondContact O-CB 3.15Å; Q108-A112 PolarHBondContact O-N 3.47Å; Q108-A216 HydrophobicContact CB-CB 3.7Å |
| 109 | T | 98.8 | Very high | 98.1 | Very high | 14 Ų | 14 | 44 Ų | 44 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 178.4 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | F105 L106 F107 A112 F113 F219 L223 | F105-T109 WeakPolarHBondContact CD2-OG1 3.18Å; F105-T109 WeakPolarHBondContact CE2-OG1 3.47Å; F105-T109 WeakPolarHBondContact O-CB 3.46Å; F105-T109 PolarHBondContact O-N 2.88Å; F105-T109 PolarHBondContact O-OG1 3.09Å; L106-T109 WeakPolarHBondContact O-CB 3.41Å; L106-T109 PolarHBondContact O-N 2.78Å; F107-T109 VanDerWaalsContact C-N 3.29Å; F107-T109 PolarHBondContact O-N 2.86Å; T109-A112 PolarHBondContact O-N 2.94Å; T109-F113 WeakPolarHBondContact O-CB 3.48Å; T109-F113 PolarHBondContact O-N 3.39Å; T109-F219 HydrophobicContact CG2-CD1 3.82Å; T109-F219 HydrophobicContact CG2-CE1 4.43Å; T109-L223 HydrophobicContact CG2-CD1 4.32Å |
| 110 | I | 98.8 | Very high | 98.3 | Very high | 59 Ų | 59 | 36.5 Ų | 36.5 | 30% | 0.303 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 174 | -70 | 167.7 | 0 | 0 | 0 | 110.5 | L106 F107 A112 F113 F114 | L106-I110 HydrophobicContact CD1-CD1 4Å; L106-I110 HydrophobicContact CD1-CG1 4.38Å; L106-I110 HydrophobicContact CG-CD1 3.89Å; L106-I110 VanDerWaalsContact O-CG1 3.29Å; L106-I110 WeakPolarHBondContact O-CG1 3.39Å; L106-I110 PolarHBondContact O-N 2.89Å; F107-I110 PolarHBondContact O-N 2.88Å; I110-A112 PolarHBondContact O-N 3.36Å; I110-F113 WeakPolarHBondContact O-CB 3.43Å; I110-F113 PolarHBondContact O-N 3.09Å; I110-F114 HydrophobicContact CG2-CD2 3.6Å; I110-F114 HydrophobicContact CG2-CE2 3.43Å; I110-F114 VanDerWaalsContact CG2-CE2 3.43Å; I110-F114 VanDerWaalsContact O-CD2 3.25Å; I110-F114 WeakPolarHBondContact O-CD2 3.25Å; I110-F114 PolarHBondContact O-N 3.02Å |
| 111 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.6 | -48.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C29 L33 F107 Q108 F113 F114 G115 | C29-G111 WeakPolarHBondContact O-CA 3.23Å; C29-G111 VanDerWaalsContact SG-CA 3.53Å; L33-G111 VanDerWaalsContact CA-O 3.26Å; L33-G111 WeakPolarHBondContact CA-O 3.39Å; L33-G111 WeakPolarHBondContact CB-O 3.46Å; F107-G111 PolarHBondContact O-N 2.97Å; Q108-G111 PolarHBondContact O-N 3.31Å; G111-F113 PolarHBondContact O-N 3.5Å; G111-F114 PolarHBondContact O-N 2.74Å; G111-G115 PolarHBondContact O-N 3.44Å |
| 112 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T32 V36 Q108 T109 I110 G115 A116 A216 P221 | T32-A112 HydrophobicContact CG2-CB 3.86Å; V36-A112 WeakPolarHBondContact CG1-O 3.37Å; V36-A112 HydrophobicContact CG2-CB 3.75Å; Q108-A112 WeakPolarHBondContact O-CB 3.15Å; Q108-A112 PolarHBondContact O-N 3.47Å; T109-A112 PolarHBondContact O-N 2.94Å; I110-A112 PolarHBondContact O-N 3.36Å; A112-G115 PolarHBondContact O-N 3.36Å; A112-A116 PolarHBondContact O-N 3.3Å; A112-A216 WeakPolarHBondContact CB-O 3.48Å; A112-P221 HydrophobicContact CB-CG 4.39Å |
| 113 | F | 98.8 | Very high | 98.5 | Very high | 51 Ų | 51 | 39.7 Ų | 39.7 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.6 | -49 | 174.6 | 176.4 | -80.3 | 0 | 0 | 0 | 111.6 | T109 I110 G111 A116 S117 L223 F224 I227 | T109-F113 WeakPolarHBondContact O-CB 3.48Å; T109-F113 PolarHBondContact O-N 3.39Å; I110-F113 WeakPolarHBondContact O-CB 3.43Å; I110-F113 PolarHBondContact O-N 3.09Å; G111-F113 PolarHBondContact O-N 3.5Å; F113-A116 PolarHBondContact O-N 3.33Å; F113-S117 PolarHBondContact O-N 3.28Å; F113-L223 HydrophobicContact CD2-CB 4.12Å; F113-L223 HydrophobicContact CE2-CB 4.46Å; F113-F224 HydrophobicContact CD2-CB 3.63Å; F113-F224 HydrophobicContact CE1-CD2 4.29Å; F113-F224 VanDerWaalsContact CE2-CA 3.42Å; F113-F224 HydrophobicContact CE2-CB 3.66Å; F113-F224 HydrophobicContact CE2-CD2 4.18Å; F113-F224 HydrophobicContact CE2-CG 4.45Å; F113-F224 HydrophobicContact CG-CB 4.24Å; F113-F224 HydrophobicContact CZ-CB 4.28Å; F113-F224 AromaticContact CZ-CD2 3.95Å; F113-F224 HydrophobicContact CZ-CD2 3.95Å; F113-I227 HydrophobicContact CE2-CD1 4.11Å; F113-I227 HydrophobicContact CZ-CD1 3.89Å |
| 114 | F | 98.8 | Very high | 98.5 | Very high | 103 Ų | 103 | 40.8 Ų | 40.8 | 45% | 0.452 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.3 | -38.6 | 179.4 | -76.1 | -57.7 | 0 | 0 | 0 | 112.4 | L33 I110 G111 A116 S117 I118 | L33-F114 HydrophobicContact CD1-CB 3.96Å; I110-F114 HydrophobicContact CG2-CD2 3.6Å; I110-F114 HydrophobicContact CG2-CE2 3.43Å; I110-F114 VanDerWaalsContact CG2-CE2 3.43Å; I110-F114 VanDerWaalsContact O-CD2 3.25Å; I110-F114 WeakPolarHBondContact O-CD2 3.25Å; I110-F114 PolarHBondContact O-N 3.02Å; G111-F114 PolarHBondContact O-N 2.74Å; F114-A116 VanDerWaalsContact C-N 3.29Å; F114-A116 PolarHBondContact O-N 3Å; F114-S117 WeakPolarHBondContact CA-OG 3.43Å; F114-S117 PolarHBondContact O-N 3.13Å; F114-S117 VanDerWaalsContact O-N 3.12Å; F114-S117 PolarHBondContact O-OG 3.35Å; F114-I118 WeakPolarHBondContact O-CG1 3.46Å; F114-I118 PolarHBondContact O-N 3.37Å |
| 115 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.7 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G111 A112 I119 | G111-G115 PolarHBondContact O-N 3.44Å; A112-G115 PolarHBondContact O-N 3.36Å; G115-I119 PolarHBondContact O-N 3.25Å |
| 116 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V36 A112 F113 F114 I118 I119 F120 F146 P221 F224 | V36-A116 HydrophobicContact CG1-CB 4.39Å; A112-A116 PolarHBondContact O-N 3.3Å; F113-A116 PolarHBondContact O-N 3.33Å; F114-A116 VanDerWaalsContact C-N 3.29Å; F114-A116 PolarHBondContact O-N 3Å; A116-I118 VanDerWaalsContact C-N 3.31Å; A116-I118 PolarHBondContact O-N 3.32Å; A116-I119 PolarHBondContact O-N 2.93Å; A116-F120 PolarHBondContact O-N 2.79Å; A116-F146 HydrophobicContact CB-CD1 3.86Å; A116-F146 WeakPolarHBondContact O-CE1 3.35Å; A116-P221 HydrophobicContact CB-CB 3.71Å; A116-P221 HydrophobicContact CB-CG 4Å; A116-F224 HydrophobicContact CB-CB 4.4Å; A116-F224 HydrophobicContact CB-CD1 4.03Å; A116-F224 HydrophobicContact CB-CG 4.35Å |
| 117 | S | 98.7 | Very high | 98.1 | Very high | 31 Ų | 31 | 42.5 Ų | 42.5 | 22% | 0.217 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.9 | -36 | 179.4 | 74.5 | 0 | 0 | 0 | 0 | 113.6 | F113 F114 F120 G121 F224 | F113-S117 PolarHBondContact O-N 3.28Å; F114-S117 WeakPolarHBondContact CA-OG 3.43Å; F114-S117 PolarHBondContact O-N 3.13Å; F114-S117 VanDerWaalsContact O-N 3.12Å; F114-S117 PolarHBondContact O-OG 3.35Å; S117-F120 PolarHBondContact O-N 2.97Å; S117-G121 PolarHBondContact O-N 2.92Å; S117-F224 VanDerWaalsContact CB-CE2 3.45Å |
| 118 | I | 98.8 | Very high | 97.8 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 38% | 0.379 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.8 | -46.6 | 176.8 | -70.5 | 165.2 | 0 | 0 | 0 | 109.8 | L33 M37 F114 A116 G121 M122 | L33-I118 HydrophobicContact CD1-CD1 4.17Å; L33-I118 HydrophobicContact CD2-CD1 4.1Å; L33-I118 HydrophobicContact CG-CD1 4.35Å; M37-I118 HydrophobicContact CG-CG2 4.22Å; M37-I118 HydrophobicContact SD-CD1 4.43Å; M37-I118 HydrophobicContact SD-CG2 4.04Å; F114-I118 WeakPolarHBondContact O-CG1 3.46Å; F114-I118 PolarHBondContact O-N 3.37Å; A116-I118 VanDerWaalsContact C-N 3.31Å; A116-I118 PolarHBondContact O-N 3.32Å; I118-G121 PolarHBondContact O-N 2.81Å; I118-M122 WeakPolarHBondContact O-CB 3.37Å; I118-M122 PolarHBondContact O-N 3.19Å |
| 119 | I | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 179.1 | -65.4 | -54.6 | 0 | 0 | 0 | 111.9 | M37 C40 A44 G115 A116 M122 Y123 F146 | M37-I119 HydrophobicContact CG-CD1 3.8Å; M37-I119 HydrophobicContact CG-CG1 4.09Å; M37-I119 WeakPolarHBondContact O-CD1 3.42Å; M37-I119 WeakPolarHBondContact O-CG1 3.26Å; C40-I119 HydrophobicContact CB-CB 4.41Å; C40-I119 HydrophobicContact CB-CG1 4.28Å; C40-I119 HydrophobicContact CB-CG2 4.18Å; A44-I119 HydrophobicContact CB-CG2 4.04Å; G115-I119 PolarHBondContact O-N 3.25Å; A116-I119 PolarHBondContact O-N 2.93Å; I119-M122 HydrophobicContact CD1-CE 3.57Å; I119-M122 PolarHBondContact O-N 3.47Å; I119-Y123 HydrophobicContact CG2-CD2 3.93Å; I119-Y123 HydrophobicContact CG2-CE2 4.43Å; I119-Y123 PolarHBondContact O-N 3.31Å; I119-F146 HydrophobicContact CB-CE1 4.45Å; I119-F146 HydrophobicContact CG2-CE1 4.25Å |
| 120 | F | 98.3 | Very high | 97.2 | Very high | 30 Ų | 30 | 55.1 Ų | 55.1 | 13% | 0.132 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.8 | -48.6 | 172.3 | 172.6 | -90 | 0 | 0 | 0 | 111.9 | A116 S117 M122 Y123 Y124 L127 F134 F146 F224 A228 W230 | A116-F120 PolarHBondContact O-N 2.79Å; S117-F120 PolarHBondContact O-N 2.97Å; F120-M122 PolarHBondContact O-N 2.93Å; F120-Y123 CarbonylContact O-C 3.6Å; F120-Y123 PolarHBondContact O-N 2.9Å; F120-Y124 HydrophobicContact CD1-CD2 4.3Å; F120-Y124 AromaticContact CE1-CD2 3.58Å; F120-Y124 HydrophobicContact CE1-CD2 3.58Å; F120-Y124 AromaticContact CE1-CE2 3.88Å; F120-Y124 HydrophobicContact CE1-CE2 3.88Å; F120-Y124 HydrophobicContact CE2-CD2 4.38Å; F120-Y124 AromaticContact CZ-CD2 3.63Å; F120-Y124 HydrophobicContact CZ-CD2 3.63Å; F120-Y124 AromaticContact CZ-CE2 3.66Å; F120-Y124 HydrophobicContact CZ-CE2 3.66Å; F120-Y124 VanDerWaalsContact O-CA 3.31Å; F120-Y124 WeakPolarHBondContact O-CA 3.22Å; F120-Y124 WeakPolarHBondContact O-CB 3.25Å; F120-Y124 PolarHBondContact O-N 3.14Å; F120-L127 HydrophobicContact CD2-CD1 3.96Å; F120-L127 HydrophobicContact CE2-CD1 4.46Å; F120-F134 AromaticContact CE2-CE1 3.69Å; F120-F134 HydrophobicContact CE2-CE1 3.69Å; F120-F134 HydrophobicContact CE2-CZ 4.24Å; F120-F134 HydrophobicContact CZ-CE1 4.29Å; F120-F134 HydrophobicContact CZ-CZ 4.4Å; F120-F146 HydrophobicContact CB-CE1 4Å; F120-F146 HydrophobicContact CB-CZ 3.91Å; F120-F146 HydrophobicContact CD2-CZ 4.21Å; F120-F224 HydrophobicContact CB-CE1 3.44Å; F120-F224 VanDerWaalsContact CB-CE1 3.44Å; F120-F224 HydrophobicContact CB-CZ 3.51Å; F120-F224 HydrophobicContact CD1-CE1 4.34Å; F120-F224 AromaticContact CD1-CZ 3.69Å; F120-F224 HydrophobicContact CD1-CZ 3.69Å; F120-F224 AromaticContact CD2-CE1 3.9Å; F120-F224 HydrophobicContact CD2-CE1 3.9Å; F120-F224 HydrophobicContact CD2-CZ 4.02Å; F120-F224 HydrophobicContact CE1-CZ 4.38Å; F120-F224 AromaticContact CG-CE1 3.65Å; F120-F224 HydrophobicContact CG-CE1 3.65Å; F120-F224 AromaticContact CG-CZ 3.48Å; F120-F224 HydrophobicContact CG-CZ 3.48Å; F120-F224 VanDerWaalsContact CG-CZ 3.48Å; F120-A228 HydrophobicContact CE2-CB 4.2Å; F120-A228 HydrophobicContact CZ-CB 4.35Å; F120-W230 AromaticContact CD2-CH2 3.95Å; F120-W230 HydrophobicContact CD2-CH2 3.95Å; F120-W230 AromaticContact CD2-CZ3 3.82Å; F120-W230 HydrophobicContact CD2-CZ3 3.82Å; F120-W230 AromaticContact CE2-CH2 3.95Å; F120-W230 HydrophobicContact CE2-CH2 3.95Å; F120-W230 AromaticContact CE2-CZ3 3.62Å; F120-W230 HydrophobicContact CE2-CZ3 3.62Å |
| 121 | G | 98.1 | Very high | 96.5 | Very high | 48 Ų | 48 | 55 Ų | 55 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S117 I118 Y124 | S117-G121 PolarHBondContact O-N 2.92Å; I118-G121 PolarHBondContact O-N 2.81Å; G121-Y124 WeakPolarHBondContact O-CB 3.5Å; G121-Y124 PolarHBondContact O-N 3.41Å |
| 122 | M | 97.9 | Very high | 95.4 | Very high | 123 Ų | 123 | 56.3 Ų | 56.3 | 61% | 0.606 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -68.1 | -34.4 | -179.5 | -169.6 | 173.1 | 75.8 | 0 | 0 | 113.3 | I118 I119 F120 | I118-M122 WeakPolarHBondContact O-CB 3.37Å; I118-M122 PolarHBondContact O-N 3.19Å; I119-M122 HydrophobicContact CD1-CE 3.57Å; I119-M122 PolarHBondContact O-N 3.47Å; F120-M122 PolarHBondContact O-N 2.93Å |
| 123 | Y | 97.4 | Very high | 94.7 | Very high | 48 Ų | 48 | 58.3 Ų | 58.3 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 17 | 178.4 | -76.5 | -83.8 | 0 | 0 | 0 | 113.1 | A44 Q45 L48 I119 F120 D125 A126 L127 | A44-Y123 HydrophobicContact CB-CD1 4.38Å; A44-Y123 HydrophobicContact CB-CD2 3.73Å; A44-Y123 HydrophobicContact CB-CE2 3.86Å; A44-Y123 HydrophobicContact CB-CG 3.99Å; Q45-Y123 PolarHBondContact OE1-OH 3.04Å; L48-Y123 HydrophobicContact CD1-CD1 3.79Å; L48-Y123 HydrophobicContact CD1-CG 4.01Å; I119-Y123 HydrophobicContact CG2-CD2 3.93Å; I119-Y123 HydrophobicContact CG2-CE2 4.43Å; I119-Y123 PolarHBondContact O-N 3.31Å; F120-Y123 CarbonylContact O-C 3.6Å; F120-Y123 PolarHBondContact O-N 2.9Å; Y123-D125 PolarHBondContact O-N 3.42Å; Y123-A126 HydrophobicContact CD1-CB 4.27Å; Y123-A126 PolarHBondContact O-N 3.39Å; Y123-L127 WeakPolarHBondContact O-CB 3.46Å; Y123-L127 WeakPolarHBondContact O-CG 3.39Å; Y123-L127 PolarHBondContact O-N 3.39Å |
| 124 | Y | 96.7 | Very high | 94.1 | Very high | 96 Ų | 96 | 58.1 Ų | 58.1 | 38% | 0.376 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.4 | -48.2 | -172 | -174.7 | -98.1 | 0 | 0 | 0 | 112.6 | F120 G121 A126 L127 W128 | F120-Y124 HydrophobicContact CD1-CD2 4.3Å; F120-Y124 AromaticContact CE1-CD2 3.58Å; F120-Y124 HydrophobicContact CE1-CD2 3.58Å; F120-Y124 AromaticContact CE1-CE2 3.88Å; F120-Y124 HydrophobicContact CE1-CE2 3.88Å; F120-Y124 HydrophobicContact CE2-CD2 4.38Å; F120-Y124 AromaticContact CZ-CD2 3.63Å; F120-Y124 HydrophobicContact CZ-CD2 3.63Å; F120-Y124 AromaticContact CZ-CE2 3.66Å; F120-Y124 HydrophobicContact CZ-CE2 3.66Å; F120-Y124 VanDerWaalsContact O-CA 3.31Å; F120-Y124 WeakPolarHBondContact O-CA 3.22Å; F120-Y124 WeakPolarHBondContact O-CB 3.25Å; F120-Y124 PolarHBondContact O-N 3.14Å; G121-Y124 WeakPolarHBondContact O-CB 3.5Å; G121-Y124 PolarHBondContact O-N 3.41Å; Y124-A126 PolarHBondContact O-N 3.43Å; Y124-L127 WeakPolarHBondContact O-CB 3.45Å; Y124-L127 PolarHBondContact O-N 2.86Å; Y124-W128 PolarHBondContact O-N 3.45Å |
| 125 | D | 96.6 | Very high | 93.4 | Very high | 134 Ų | 134 | 55.5 Ų | 55.5 | 72% | 0.717 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.9 | -41.4 | 180 | -61.8 | -20.1 | 0 | 0 | 0 | 111.7 | Y123 L127 W128 D129 | Y123-D125 PolarHBondContact O-N 3.42Å; D125-L127 VanDerWaalsContact C-N 3.35Å; D125-L127 PolarHBondContact O-N 2.96Å; D125-W128 PolarHBondContact O-N 3.03Å; D125-D129 PolarHBondContact O-N 3.49Å |
| 126 | A | 95.4 | Very high | 92.6 | Very high | 42 Ų | 42 | 56.9 Ų | 56.9 | 35% | 0.347 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L48 Y123 Y124 W128 F130 | L48-A126 HydrophobicContact CB-CB 4.4Å; L48-A126 HydrophobicContact CD1-CB 4.02Å; Y123-A126 HydrophobicContact CD1-CB 4.27Å; Y123-A126 PolarHBondContact O-N 3.39Å; Y124-A126 PolarHBondContact O-N 3.43Å; A126-W128 VanDerWaalsContact C-N 3.34Å; A126-F130 WeakPolarHBondContact O-CB 3.17Å; A126-F130 PolarHBondContact O-N 2.87Å; A126-F130 VanDerWaalsContact O-N 3.12Å |
| 127 | L | 95 | Very high | 91.2 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 173.3 | -83.9 | 162.7 | 0 | 0 | 0 | 112 | L48 F120 Y123 Y124 D125 C133 T142 I145 F146 W230 | L48-L127 HydrophobicContact CD1-CD2 4.23Å; L48-L127 HydrophobicContact CD1-CG 3.91Å; L48-L127 HydrophobicContact CD2-CD2 3.85Å; L48-L127 HydrophobicContact CD2-CG 4.24Å; F120-L127 HydrophobicContact CD2-CD1 3.96Å; F120-L127 HydrophobicContact CE2-CD1 4.46Å; Y123-L127 WeakPolarHBondContact O-CB 3.46Å; Y123-L127 WeakPolarHBondContact O-CG 3.39Å; Y123-L127 PolarHBondContact O-N 3.39Å; Y124-L127 WeakPolarHBondContact O-CB 3.45Å; Y124-L127 PolarHBondContact O-N 2.86Å; D125-L127 VanDerWaalsContact C-N 3.35Å; D125-L127 PolarHBondContact O-N 2.96Å; L127-C133 WeakPolarHBondContact O-CB 3.39Å; L127-C133 PolarHBondContact O-SG 2.8Å; L127-T142 HydrophobicContact CD2-CG2 4.28Å; L127-I145 HydrophobicContact CD2-CD1 4.02Å; L127-F146 HydrophobicContact CD1-CZ 4.28Å; L127-W230 HydrophobicContact CD1-CH2 4.47Å; L127-W230 HydrophobicContact CD2-CH2 4.37Å; L127-W230 HydrophobicContact CD2-CZ2 4.31Å |
| 128 | W | 92.8 | Very high | 89.8 | Confident | 160 Ų | 160 | 63 Ų | 63 | 61% | 0.606 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -72.6 | -37.2 | 179.9 | -161.4 | -89.6 | 0 | 0 | 0 | 112.3 | Y124 D125 A126 F130 F134 | Y124-W128 PolarHBondContact O-N 3.45Å; D125-W128 PolarHBondContact O-N 3.03Å; A126-W128 VanDerWaalsContact C-N 3.34Å; W128-F130 VanDerWaalsContact C-N 3.32Å; W128-F134 AromaticContact CE3-CE2 3.95Å; W128-F134 HydrophobicContact CE3-CE2 3.95Å; W128-F134 HydrophobicContact CE3-CZ 4.13Å; W128-F134 AromaticContact CZ3-CE2 3.62Å; W128-F134 HydrophobicContact CZ3-CE2 3.62Å; W128-F134 HydrophobicContact CZ3-CZ 4.15Å |
| 129 | D | 93.8 | Very high | 88.5 | Confident | 142 Ų | 142 | 67.4 Ų | 67.4 | 76% | 0.759 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -73.8 | -23.1 | 175.5 | -168.8 | 58.6 | 0 | 0 | 0 | 112.9 | D125 | D125-D129 PolarHBondContact O-N 3.49Å |
| 130 | F | 92.3 | Very high | 87.4 | Confident | 12 Ų | 12 | 72 Ų | 72 | 5% | 0.053 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -70.6 | 131.4 | -177.8 | -161.5 | -104.1 | 0 | 0 | 0 | 112.3 | V47 L48 Y50 A126 W128 G132 C133 Y140 T142 | V47-F130 HydrophobicContact CG1-CE1 4.22Å; V47-F130 HydrophobicContact CG1-CZ 4.04Å; V47-F130 VanDerWaalsContact O-CE2 3.29Å; V47-F130 WeakPolarHBondContact O-CE2 3.37Å; L48-F130 HydrophobicContact CD2-CB 3.87Å; L48-F130 HydrophobicContact CD2-CD1 4.26Å; L48-F130 HydrophobicContact CD2-CD2 4.02Å; L48-F130 HydrophobicContact CD2-CG 3.81Å; Y50-F130 AromaticContact CD1-CE2 3.88Å; Y50-F130 HydrophobicContact CD1-CE2 3.88Å; Y50-F130 HydrophobicContact CD1-CZ 4.4Å; Y50-F130 HydrophobicContact CD2-CE2 4.45Å; Y50-F130 HydrophobicContact CE1-CD2 4.12Å; Y50-F130 AromaticContact CE1-CE2 3.38Å; Y50-F130 HydrophobicContact CE1-CE2 3.38Å; Y50-F130 AromaticContact CE1-CZ 3.97Å; Y50-F130 HydrophobicContact CE1-CZ 3.97Å; Y50-F130 HydrophobicContact CE2-CD2 4.18Å; Y50-F130 HydrophobicContact CE2-CE2 4.02Å; Y50-F130 HydrophobicContact CG-CE2 4.4Å; Y50-F130 AromaticContact CZ-CD2 3.73Å; Y50-F130 AromaticContact CZ-CE2 3.47Å; Y50-F130 VanDerWaalsContact CZ-CE2 3.47Å; A126-F130 WeakPolarHBondContact O-CB 3.17Å; A126-F130 PolarHBondContact O-N 2.87Å; A126-F130 VanDerWaalsContact O-N 3.12Å; W128-F130 VanDerWaalsContact C-N 3.32Å; F130-G132 PolarHBondContact O-N 3.12Å; F130-C133 PolarHBondContact O-N 3.16Å; F130-C133 VanDerWaalsContact O-N 3.12Å; F130-Y140 AromaticContact CE1-CD1 3.94Å; F130-Y140 HydrophobicContact CE1-CD1 3.94Å; F130-Y140 HydrophobicContact CE1-CG 4.37Å; F130-Y140 AromaticContact CZ-CD1 3.98Å; F130-Y140 HydrophobicContact CZ-CD1 3.98Å; F130-T142 HydrophobicContact CD1-CG2 3.67Å; F130-T142 HydrophobicContact CE1-CG2 4.07Å |
| 131 | P | 84.3 | Confident | 86.8 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 37% | 0.37 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 130 | 171.2 | -22.3 | 32.4 | 0 | 0 | 0 | 110.2 | Y50 Y140 | Y50-P131 WeakPolarHBondContact OH-CD 3.3Å; Y50-P131 WeakPolarHBondContact OH-CG 3.1Å; P131-Y140 HydrophobicContact CB-CD2 4.34Å; P131-Y140 HydrophobicContact CB-CE2 4.5Å; P131-Y140 HydrophobicContact CB-CG 4.37Å; P131-Y140 WeakPolarHBondContact O-CB 3.24Å |
| 132 | G | 75.1 | Confident | 86.6 | Confident | 27 Ų | 27 | 70.4 Ų | 70.4 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 31.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | F130 F134 N135 T142 | F130-G132 PolarHBondContact O-N 3.12Å; G132-F134 PolarHBondContact O-N 3.31Å; G132-N135 WeakPolarHBondContact O-CB 3.25Å; G132-N135 PolarHBondContact O-N 2.92Å; G132-T142 PolarHBondContact O-OG1 3.23Å |
| 133 | C | 83 | Confident | 86.5 | Confident | 42 Ų | 42 | 64.5 Ų | 64.5 | 28% | 0.284 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.8 | 129.5 | 162.7 | -169 | 0 | 0 | 0 | 0 | 110.7 | L127 F130 N135 | L127-C133 WeakPolarHBondContact O-CB 3.39Å; L127-C133 PolarHBondContact O-SG 2.8Å; F130-C133 PolarHBondContact O-N 3.16Å; F130-C133 VanDerWaalsContact O-N 3.12Å; C133-N135 PolarHBondContact O-N 2.91Å |
| 134 | F | 86.3 | Confident | 86.3 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 29.5 | -178.3 | -46.9 | -44.1 | 0 | 0 | 0 | 116.3 | F120 W128 G132 T142 W230 | F120-F134 AromaticContact CE2-CE1 3.69Å; F120-F134 HydrophobicContact CE2-CE1 3.69Å; F120-F134 HydrophobicContact CE2-CZ 4.24Å; F120-F134 HydrophobicContact CZ-CE1 4.29Å; F120-F134 HydrophobicContact CZ-CZ 4.4Å; W128-F134 AromaticContact CE3-CE2 3.95Å; W128-F134 HydrophobicContact CE3-CE2 3.95Å; W128-F134 HydrophobicContact CE3-CZ 4.13Å; W128-F134 AromaticContact CZ3-CE2 3.62Å; W128-F134 HydrophobicContact CZ3-CE2 3.62Å; W128-F134 HydrophobicContact CZ3-CZ 4.15Å; G132-F134 PolarHBondContact O-N 3.31Å; F134-T142 PolarHBondContact N-OG1 3.09Å; F134-W230 HydrophobicContact CB-CD2 4.22Å; F134-W230 HydrophobicContact CB-CG 4.36Å; F134-W230 AromaticContact CD1-CD2 3.89Å; F134-W230 HydrophobicContact CD1-CD2 3.89Å; F134-W230 AromaticContact CD1-CE2 3.84Å; F134-W230 AromaticContact CD1-CE3 3.67Å; F134-W230 HydrophobicContact CD1-CE3 3.67Å; F134-W230 AromaticContact CD1-CH2 3.38Å; F134-W230 HydrophobicContact CD1-CH2 3.38Å; F134-W230 AromaticContact CD1-CZ2 3.61Å; F134-W230 HydrophobicContact CD1-CZ2 3.61Å; F134-W230 AromaticContact CD1-CZ3 3.42Å; F134-W230 HydrophobicContact CD1-CZ3 3.42Å; F134-W230 VanDerWaalsContact CD1-CZ3 3.42Å; F134-W230 HydrophobicContact CE1-CE3 4.35Å; F134-W230 AromaticContact CE1-CH2 3.62Å; F134-W230 HydrophobicContact CE1-CH2 3.62Å; F134-W230 HydrophobicContact CE1-CZ2 4.24Å; F134-W230 AromaticContact CE1-CZ3 3.69Å; F134-W230 HydrophobicContact CE1-CZ3 3.69Å; F134-W230 HydrophobicContact CG-CE3 4.5Å |
| 135 | N | 84.9 | Confident | 86.3 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | trans | -94.5 | 146.2 | 179.5 | -156.4 | -42.7 | 0 | 0 | 0 | 113 | G132 C133 T137 S138 N141 T142 A143 W230 | G132-N135 WeakPolarHBondContact O-CB 3.25Å; G132-N135 PolarHBondContact O-N 2.92Å; C133-N135 PolarHBondContact O-N 2.91Å; N135-T137 PolarHBondContact OD1-N 3.25Å; N135-S138 WeakPolarHBondContact ND2-CB 3.39Å; N135-S138 PolarHBondContact ND2-OG 3.47Å; N135-S138 PolarHBondContact OD1-N 2.9Å; N135-S138 VanDerWaalsContact OD1-N 3.11Å; N135-S138 PolarHBondContact OD1-OG 3.04Å; N135-N141 PolarHBondContact O-OD1 3.36Å; N135-N141 VanDerWaalsContact O-OD1 3.14Å; N135-T142 PolarHBondContact N-OG1 2.66Å; N135-T142 PolarHBondContact O-N 3.42Å; N135-T142 VanDerWaalsContact O-N 3.08Å; N135-T142 PolarHBondContact O-OG1 2.9Å; N135-A143 PolarHBondContact O-N 3.26Å; N135-W230 PolarHBondContact O-NE1 2.81Å | ||
| 136 | L | 81.4 | Confident | 86.4 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -110.1 | -28 | -179.6 | -69.3 | 84.7 | 0 | 0 | 0 | 114.1 | N141 A143 W230 V234 | L136-N141 VanDerWaalsContact O-CG 3.29Å; L136-N141 PolarHBondContact O-ND2 3.47Å; L136-N141 VanDerWaalsContact O-ND2 3.16Å; L136-A143 HydrophobicContact CG-CB 4.21Å; L136-W230 HydrophobicContact CD1-CB 3.91Å; L136-W230 HydrophobicContact CD1-CG 4.25Å; L136-W230 WeakPolarHBondContact CD1-O 3.22Å; L136-V234 HydrophobicContact CD2-CB 4.21Å; L136-V234 HydrophobicContact CD2-CG1 3.62Å; L136-V234 HydrophobicContact CG-CG1 4.29Å |
| 137 | T | 69.8 | Low | 86.5 | Confident | 117 Ų | 117 | 50.9 Ų | 50.9 | 72% | 0.718 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -127.2 | -12.4 | -161.7 | 43.9 | 0 | 0 | 0 | 0 | 114.5 | N135 | N135-T137 PolarHBondContact OD1-N 3.25Š|
| 138 | S | 70.6 | Confident | 86.5 | Confident | 43 Ų | 43 | 51.2 Ų | 51.2 | 30% | 0.301 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -76.8 | 175 | 176.9 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | N135 Y140 N141 | N135-S138 WeakPolarHBondContact ND2-CB 3.39Å; N135-S138 PolarHBondContact ND2-OG 3.47Å; N135-S138 PolarHBondContact OD1-N 2.9Å; N135-S138 VanDerWaalsContact OD1-N 3.11Å; N135-S138 PolarHBondContact OD1-OG 3.04Å; S138-Y140 PolarHBondContact O-N 3.04Å; S138-Y140 PolarHBondContact OG-N 3.31Å; S138-N141 PolarHBondContact O-N 3.45Å |
| 139 | E | 69.9 | Low | 86.7 | Confident | 166 Ų | 166 | 45 Ų | 45 | 78% | 0.776 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -27.9 | 169.7 | -173.4 | 170.4 | 178.6 | 0 | 0 | 112.5 | N141 | E139-N141 PolarHBondContact O-N 3.08Š|
| 140 | Y | 75.7 | Confident | 86.7 | Confident | 101 Ų | 101 | 38.8 Ų | 38.8 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 53 | 177.9 | -56.6 | -74.8 | 0 | 0 | 0 | 111.7 | Y50 F130 P131 S138 T142 | Y50-Y140 HydrophobicContact CE1-CE1 4.49Å; F130-Y140 AromaticContact CE1-CD1 3.94Å; F130-Y140 HydrophobicContact CE1-CD1 3.94Å; F130-Y140 HydrophobicContact CE1-CG 4.37Å; F130-Y140 AromaticContact CZ-CD1 3.98Å; F130-Y140 HydrophobicContact CZ-CD1 3.98Å; P131-Y140 HydrophobicContact CB-CD2 4.34Å; P131-Y140 HydrophobicContact CB-CE2 4.5Å; P131-Y140 HydrophobicContact CB-CG 4.37Å; P131-Y140 WeakPolarHBondContact O-CB 3.24Å; S138-Y140 PolarHBondContact O-N 3.04Å; S138-Y140 PolarHBondContact OG-N 3.31Å; Y140-T142 PolarHBondContact O-N 2.89Å |
| 141 | N | 86.6 | Confident | 86.8 | Confident | 43 Ų | 43 | 39.4 Ų | 39.4 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | trans | -68.1 | 115 | 176.6 | 177 | 4.1 | 0 | 0 | 0 | 110.8 | N135 L136 S138 E139 A143 G144 | N135-N141 PolarHBondContact O-OD1 3.36Å; N135-N141 VanDerWaalsContact O-OD1 3.14Å; L136-N141 VanDerWaalsContact O-CG 3.29Å; L136-N141 PolarHBondContact O-ND2 3.47Å; L136-N141 VanDerWaalsContact O-ND2 3.16Å; S138-N141 PolarHBondContact O-N 3.45Å; E139-N141 PolarHBondContact O-N 3.08Å; N141-A143 WeakPolarHBondContact OD1-CA 3.39Å; N141-A143 WeakPolarHBondContact OD1-CB 2.92Å; N141-A143 PolarHBondContact OD1-N 3.27Å; N141-G144 PolarHBondContact OD1-N 3.29Å | ||
| 142 | T | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -97.1 | -16.1 | 177.6 | 49.6 | 0 | 0 | 0 | 0 | 112.9 | L127 F130 G132 F134 N135 Y140 G144 I145 W230 | L127-T142 HydrophobicContact CD2-CG2 4.28Å; F130-T142 HydrophobicContact CD1-CG2 3.67Å; F130-T142 HydrophobicContact CE1-CG2 4.07Å; G132-T142 PolarHBondContact O-OG1 3.23Å; F134-T142 PolarHBondContact N-OG1 3.09Å; N135-T142 PolarHBondContact N-OG1 2.66Å; N135-T142 PolarHBondContact O-N 3.42Å; N135-T142 VanDerWaalsContact O-N 3.08Å; N135-T142 PolarHBondContact O-OG1 2.9Å; Y140-T142 PolarHBondContact O-N 2.89Å; T142-G144 PolarHBondContact O-N 3.44Å; T142-I145 WeakPolarHBondContact O-CB 3.34Å; T142-I145 WeakPolarHBondContact O-CG1 3.28Å; T142-I145 PolarHBondContact O-N 2.99Å; T142-W230 PolarHBondContact OG1-NE1 3.24Å; T142-W230 VanDerWaalsContact OG1-NE1 3.1Å | ||
| 143 | A | 94.4 | Very high | 88 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -64.2 | -30 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | N135 L136 N141 I145 F146 A147 Y149 W230 | N135-A143 PolarHBondContact O-N 3.26Å; L136-A143 HydrophobicContact CG-CB 4.21Å; N141-A143 WeakPolarHBondContact OD1-CA 3.39Å; N141-A143 WeakPolarHBondContact OD1-CB 2.92Å; N141-A143 PolarHBondContact OD1-N 3.27Å; A143-I145 PolarHBondContact O-N 2.89Å; A143-I145 VanDerWaalsContact O-N 3.17Å; A143-F146 PolarHBondContact O-N 3.36Å; A143-F146 VanDerWaalsContact O-N 3.11Å; A143-A147 PolarHBondContact O-N 2.9Å; A143-Y149 HydrophobicContact CB-CE2 3.65Å; A143-W230 HydrophobicContact CB-CG 4.3Å; A143-W230 VanDerWaalsContact N-NE1 3.17Å |
| 144 | G | 94.5 | Very high | 88.5 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 32% | 0.32 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -62.8 | -13.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N141 T142 F146 A147 | N141-G144 PolarHBondContact OD1-N 3.29Å; T142-G144 PolarHBondContact O-N 3.44Å; G144-F146 VanDerWaalsContact C-N 3.29Å; G144-A147 WeakPolarHBondContact CA-O 3.25Å |
| 145 | I | 96.8 | Very high | 89 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -64.8 | -37.3 | 171.7 | -67.5 | 168.5 | 0 | 0 | 0 | 111 | V43 A44 V47 L48 L127 T142 A143 | V43-I145 HydrophobicContact CG1-CB 4.41Å; V43-I145 HydrophobicContact CG1-CG1 4.29Å; A44-I145 HydrophobicContact CB-CG2 3.65Å; V47-I145 HydrophobicContact CB-CD1 4.19Å; V47-I145 HydrophobicContact CB-CG1 4.09Å; V47-I145 HydrophobicContact CG1-CD1 4.08Å; V47-I145 HydrophobicContact CG1-CG1 4.26Å; V47-I145 HydrophobicContact CG2-CG1 4.12Å; L48-I145 HydrophobicContact CD1-CD1 4.41Å; L48-I145 HydrophobicContact CD2-CD1 4.03Å; L48-I145 HydrophobicContact CG-CD1 4.1Å; L127-I145 HydrophobicContact CD2-CD1 4.02Å; T142-I145 WeakPolarHBondContact O-CB 3.34Å; T142-I145 WeakPolarHBondContact O-CG1 3.28Å; T142-I145 PolarHBondContact O-N 2.99Å; A143-I145 PolarHBondContact O-N 2.89Å; A143-I145 VanDerWaalsContact O-N 3.17Å |
| 146 | F | 97.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -49.8 | -167.5 | -60.6 | -76.4 | 0 | 0 | 0 | 112.1 | A116 I119 F120 L127 A143 G144 R217 P221 T225 W230 | A116-F146 HydrophobicContact CB-CD1 3.86Å; A116-F146 WeakPolarHBondContact O-CE1 3.35Å; I119-F146 HydrophobicContact CB-CE1 4.45Å; I119-F146 HydrophobicContact CG2-CE1 4.25Å; F120-F146 HydrophobicContact CB-CE1 4Å; F120-F146 HydrophobicContact CB-CZ 3.91Å; F120-F146 HydrophobicContact CD2-CZ 4.21Å; L127-F146 HydrophobicContact CD1-CZ 4.28Å; A143-F146 PolarHBondContact O-N 3.36Å; A143-F146 VanDerWaalsContact O-N 3.11Å; G144-F146 VanDerWaalsContact C-N 3.29Å; F146-R217 PolarHBondContact O-NH1 3.4Å; F146-P221 HydrophobicContact CB-CB 3.9Å; F146-P221 VanDerWaalsContact O-CB 3.26Å; F146-P221 WeakPolarHBondContact O-CB 3.36Å; F146-T225 HydrophobicContact CB-CG2 3.66Å; F146-T225 HydrophobicContact CD2-CG2 3.45Å; F146-T225 VanDerWaalsContact CD2-CG2 3.45Å; F146-T225 HydrophobicContact CE2-CG2 4.26Å; F146-T225 HydrophobicContact CG-CG2 3.65Å; F146-W230 HydrophobicContact CD2-CH2 4.29Å; F146-W230 HydrophobicContact CD2-CZ2 4.41Å; F146-W230 AromaticContact CE2-CH2 3.56Å; F146-W230 HydrophobicContact CE2-CH2 3.56Å; F146-W230 AromaticContact CE2-CZ2 3.92Å; F146-W230 HydrophobicContact CE2-CZ2 3.92Å; F146-W230 HydrophobicContact CE2-CZ3 4.26Å; F146-W230 HydrophobicContact CZ-CH2 4.36Å |
| 147 | A | 97.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -121.7 | 160.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111 | A143 G144 Y149 R222 | A143-A147 PolarHBondContact O-N 2.9Å; G144-A147 WeakPolarHBondContact CA-O 3.25Å; A147-Y149 HydrophobicContact CB-CE2 4.31Å; A147-Y149 VanDerWaalsContact O-CD2 3.32Å; A147-Y149 WeakPolarHBondContact O-CD2 3.41Å; A147-Y149 WeakPolarHBondContact O-CE2 3.46Å; A147-R222 HydrophobicContact CB-CB 3.99Å |
| 148 | T | 96.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | trans | -82 | 146.4 | -177.6 | 65.5 | 0 | 0 | 0 | 0 | 112 | S209 A212 D218 R222 W241 | T148-S209 VanDerWaalsContact CB-O 3.3Å; T148-S209 WeakPolarHBondContact CB-O 3.3Å; T148-A212 HydrophobicContact CG2-CB 3.76Å; T148-D218 WeakPolarHBondContact CB-OD2 3.3Å; T148-D218 PolarHBondContact N-OD2 3.37Å; T148-D218 PolarHBondContact OG1-OD2 3.19Å; T148-R222 PolarHBondContact O-NH2 3.42Å; T148-W241 VanDerWaalsContact O-CD1 3.23Å; T148-W241 PolarHBondContact O-NE1 2.97Å | ||
| 149 | Y | 95.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | trans | -138 | 148 | 173.7 | -65.7 | -89 | 0 | 0 | 0 | 108.7 | A143 A147 R222 V234 A237 | A143-Y149 HydrophobicContact CB-CE2 3.65Å; A147-Y149 HydrophobicContact CB-CE2 4.31Å; A147-Y149 VanDerWaalsContact O-CD2 3.32Å; A147-Y149 WeakPolarHBondContact O-CD2 3.41Å; A147-Y149 WeakPolarHBondContact O-CE2 3.46Å; Y149-R222 VanDerWaalsContact CE1-NH1 3.3Å; Y149-R222 PolarHBondContact OH-NH1 3.29Å; Y149-V234 WeakPolarHBondContact OH-CB 3.45Å; Y149-A237 HydrophobicContact CD1-CB 4.21Å; Y149-A237 HydrophobicContact CE1-CB 3.89Å | ||
| 150 | P | 95.1 | Very high | 94 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 7% | 0.071 | 24% | 0.242 | C | C | . | . | trans | -73.4 | 144 | -177.4 | 31.4 | -32 | 0 | 0 | 0 | 109.7 | L154 R238 W241 | P150-L154 HydrophobicContact CB-CB 4.22Å; P150-L154 HydrophobicContact CB-CD2 3.9Å; P150-L154 HydrophobicContact CB-CG 4.48Å; P150-R238 HydrophobicContact CG-CB 3.68Å; P150-R238 HydrophobicContact CG-CG 3.7Å; P150-W241 HydrophobicContact CB-CD2 4.05Å; P150-W241 HydrophobicContact CB-CE3 3.81Å; P150-W241 HydrophobicContact CB-CH2 4.13Å; P150-W241 HydrophobicContact CB-CZ2 4.36Å; P150-W241 HydrophobicContact CB-CZ3 3.84Å; P150-W241 VanDerWaalsContact CD-CD2 3.48Å; P150-W241 VanDerWaalsContact CD-CG 3.46Å; P150-W241 HydrophobicContact CG-CB 4.43Å; P150-W241 HydrophobicContact CG-CD2 3.72Å; P150-W241 HydrophobicContact CG-CE3 3.68Å; P150-W241 HydrophobicContact CG-CG 4.04Å; P150-W241 HydrophobicContact CG-CZ3 4.24Å | ||
| 151 | A | 92.8 | Very high | 95 | Very high | 25 Ų | 25 | 47.4 Ų | 47.4 | 21% | 0.207 | 25% | 0.249 | C | C | . | . | trans | -60.5 | 157.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | H153 L154 N208 | A151-H153 WeakPolarHBondContact CB-CE1 3.46Å; A151-H153 WeakPolarHBondContact CB-ND1 3.42Å; A151-H153 PolarHBondContact O-N 3.42Å; A151-H153 VanDerWaalsContact O-N 3.1Å; A151-L154 WeakPolarHBondContact O-CB 3.38Å; A151-L154 PolarHBondContact O-N 3.43Å; A151-N208 VanDerWaalsContact CB-O 3.26Å; A151-N208 WeakPolarHBondContact CB-O 3.12Å; A151-N208 PolarHBondContact N-O 2.94Å | ||
| 152 | K | 91.4 | Very high | 95.6 | Very high | 171 Ų | 171 | 45.9 Ų | 45.9 | 74% | 0.743 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -29.8 | -173.8 | -65.5 | -175.8 | -178 | 176.9 | 0 | 113.4 | ||
| 153 | H | 93.1 | Very high | 95.8 | Very high | 107 Ų | 107 | 46 Ų | 46 | 50% | 0.495 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -10.6 | 179.8 | 63.5 | -83.4 | 0 | 0 | 0 | 114 | A151 F207 N208 | A151-H153 WeakPolarHBondContact CB-CE1 3.46Å; A151-H153 WeakPolarHBondContact CB-ND1 3.42Å; A151-H153 PolarHBondContact O-N 3.42Å; A151-H153 VanDerWaalsContact O-N 3.1Å; H153-F207 AromaticContact CE1-CE1 3.32Å; H153-F207 WeakPolarHBondContact CE1-CE1 3.28Å; H153-F207 AromaticContact CE1-CZ 3.41Å; H153-F207 VanDerWaalsContact CE1-CZ 3.41Å; H153-F207 WeakPolarHBondContact CE1-CZ 3.37Å; H153-F207 AromaticContact NE2-CE1 3.68Å; H153-N208 PolarHBondContact NE2-OD1 2.8Å |
| 154 | L | 94.8 | Very high | 96 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | trans | -90.4 | 123.5 | -170.3 | -169.8 | 70.9 | 0 | 0 | 0 | 111.2 | P150 A151 N158 N208 W241 | P150-L154 HydrophobicContact CB-CB 4.22Å; P150-L154 HydrophobicContact CB-CD2 3.9Å; P150-L154 HydrophobicContact CB-CG 4.48Å; A151-L154 WeakPolarHBondContact O-CB 3.38Å; A151-L154 PolarHBondContact O-N 3.43Å; L154-N158 HydrophobicContact CD1-CB 3.95Å; L154-N208 HydrophobicContact CD1-CB 4.09Å; L154-N208 HydrophobicContact CD2-CB 3.93Å; L154-N208 WeakPolarHBondContact CD2-O 3.46Å; L154-W241 HydrophobicContact CD2-CH2 4.2Å; L154-W241 HydrophobicContact CD2-CZ3 4.49Å | ||
| 155 | T | 95.6 | Very high | 96.2 | Very high | 88 Ų | 88 | 48.7 Ų | 48.7 | 54% | 0.54 | 25% | 0.248 | S | C | . | . | trans | -79.7 | 155.2 | 170.4 | 65.3 | 0 | 0 | 0 | 0 | 110.7 | V157 N158 G159 | T155-V157 VanDerWaalsContact C-N 3.26Å; T155-V157 PolarHBondContact O-N 3.44Å; T155-N158 PolarHBondContact O-N 3Å; T155-N158 WeakPolarHBondContact OG1-CB 3.39Å; T155-N158 PolarHBondContact OG1-N 3.05Å; T155-G159 PolarHBondContact O-N 2.93Å | ||
| 156 | I | 94.9 | Very high | 96.2 | Very high | 69 Ų | 69 | 48.7 Ų | 48.7 | 35% | 0.354 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56 | -43.4 | 176.7 | -65.6 | 167.6 | 0 | 0 | 0 | 111.4 | N158 G159 F160 D239 V244 | I156-N158 PolarHBondContact O-N 2.98Å; I156-G159 PolarHBondContact O-N 3.32Å; I156-F160 WeakPolarHBondContact O-CB 3.45Å; I156-F160 PolarHBondContact O-N 2.96Å; I156-D239 HydrophobicContact CD1-CB 3.39Å; I156-D239 HydrophobicContact CG1-CB 4.49Å; I156-V244 HydrophobicContact CG2-CG2 3.99Å |
| 157 | V | 96 | Very high | 96.3 | Very high | 120 Ų | 120 | 48.7 Ų | 48.7 | 73% | 0.727 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.1 | -48 | -178.9 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | T155 G159 F160 F161 | T155-V157 VanDerWaalsContact C-N 3.26Å; T155-V157 PolarHBondContact O-N 3.44Å; V157-G159 VanDerWaalsContact C-N 3.34Å; V157-F160 PolarHBondContact O-N 3.12Å; V157-F161 PolarHBondContact O-N 3Å; V157-F161 VanDerWaalsContact O-N 3.1Å |
| 158 | N | 96.8 | Very high | 96.4 | Very high | 78 Ų | 78 | 49.2 Ų | 49.2 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.3 | -32.4 | 179.7 | -159 | 44.9 | 0 | 0 | 0 | 111.8 | L154 T155 I156 F161 D162 | L154-N158 HydrophobicContact CD1-CB 3.95Å; T155-N158 PolarHBondContact O-N 3Å; T155-N158 WeakPolarHBondContact OG1-CB 3.39Å; T155-N158 PolarHBondContact OG1-N 3.05Å; I156-N158 PolarHBondContact O-N 2.98Å; N158-F161 PolarHBondContact O-N 3.29Å; N158-D162 VanDerWaalsContact O-CB 3.28Å; N158-D162 WeakPolarHBondContact O-CB 3.49Å; N158-D162 PolarHBondContact O-N 3.09Å |
| 159 | G | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.3 | -33.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T155 I156 V157 D162 Q163 | T155-G159 PolarHBondContact O-N 2.93Å; I156-G159 PolarHBondContact O-N 3.32Å; V157-G159 VanDerWaalsContact C-N 3.34Å; G159-D162 PolarHBondContact O-N 3.27Å; G159-Q163 WeakPolarHBondContact O-CG 3.24Å; G159-Q163 PolarHBondContact O-N 3.48Å |
| 160 | F | 97.4 | Very high | 96.6 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 32% | 0.316 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 172.3 | -163.7 | -97 | 0 | 0 | 0 | 111 | I156 V157 Q163 I164 V244 A248 L251 | I156-F160 WeakPolarHBondContact O-CB 3.45Å; I156-F160 PolarHBondContact O-N 2.96Å; V157-F160 PolarHBondContact O-N 3.12Å; F160-Q163 PolarHBondContact O-N 2.9Å; F160-I164 HydrophobicContact CD1-CD1 3.57Å; F160-I164 HydrophobicContact CD1-CG1 4.34Å; F160-I164 HydrophobicContact CE1-CD1 3.58Å; F160-I164 HydrophobicContact CE1-CG1 4.32Å; F160-I164 VanDerWaalsContact O-CG1 3.3Å; F160-I164 WeakPolarHBondContact O-CG1 3.33Å; F160-I164 PolarHBondContact O-N 3.05Å; F160-V244 HydrophobicContact CB-CG1 4.33Å; F160-V244 HydrophobicContact CD2-CG1 4.13Å; F160-V244 HydrophobicContact CD2-CG2 4.33Å; F160-A248 HydrophobicContact CD2-CB 3.63Å; F160-A248 HydrophobicContact CE2-CB 3.61Å; F160-A248 HydrophobicContact CG-CB 4.08Å; F160-A248 HydrophobicContact CZ-CB 4.08Å; F160-L251 HydrophobicContact CE1-CD2 4.1Å |
| 161 | F | 97.9 | Very high | 96.8 | Very high | 123 Ų | 123 | 49 Ų | 49 | 54% | 0.539 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 173.1 | 179 | -105.7 | 0 | 0 | 0 | 112.4 | V157 N158 Q163 I164 I165 | V157-F161 PolarHBondContact O-N 3Å; V157-F161 VanDerWaalsContact O-N 3.1Å; N158-F161 PolarHBondContact O-N 3.29Å; F161-Q163 VanDerWaalsContact C-N 3.34Å; F161-Q163 PolarHBondContact O-N 3.36Å; F161-I164 WeakPolarHBondContact O-CB 3.31Å; F161-I164 PolarHBondContact O-N 3.31Å; F161-I165 HydrophobicContact CD1-CG1 4.33Å; F161-I165 HydrophobicContact CD2-CG1 4.17Å; F161-I165 HydrophobicContact CE1-CG1 3.92Å; F161-I165 HydrophobicContact CE2-CD1 3.82Å; F161-I165 HydrophobicContact CE2-CG1 3.74Å; F161-I165 HydrophobicContact CG-CG1 4.46Å; F161-I165 HydrophobicContact CZ-CD1 3.91Å; F161-I165 HydrophobicContact CZ-CG1 3.6Å; F161-I165 WeakPolarHBondContact O-CG1 3.26Å; F161-I165 PolarHBondContact O-N 3.36Å |
| 162 | D | 97.8 | Very high | 97 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.059 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53.4 | -48.1 | 176 | 179.5 | 82.6 | 0 | 0 | 0 | 112 | N158 G159 I165 G166 N208 S209 | N158-D162 VanDerWaalsContact O-CB 3.28Å; N158-D162 WeakPolarHBondContact O-CB 3.49Å; N158-D162 PolarHBondContact O-N 3.09Å; G159-D162 PolarHBondContact O-N 3.27Å; D162-I165 PolarHBondContact O-N 3.03Å; D162-G166 PolarHBondContact O-N 3.38Å; D162-N208 WeakPolarHBondContact OD1-CB 3.35Å; D162-N208 PolarHBondContact OD1-ND2 3.26Å; D162-S209 PolarHBondContact OD2-OG 3.33Å |
| 163 | Q | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.5 | -32.9 | 178.5 | -71.8 | -58.6 | -55.1 | 0 | 0 | 113.7 | G159 F160 F161 T167 S209 V244 A248 | G159-Q163 WeakPolarHBondContact O-CG 3.24Å; G159-Q163 PolarHBondContact O-N 3.48Å; F160-Q163 PolarHBondContact O-N 2.9Å; F161-Q163 VanDerWaalsContact C-N 3.34Å; F161-Q163 PolarHBondContact O-N 3.36Å; Q163-T167 WeakPolarHBondContact O-CB 3.48Å; Q163-T167 PolarHBondContact O-N 3.07Å; Q163-T167 VanDerWaalsContact O-N 3.09Å; Q163-T167 PolarHBondContact O-OG1 2.97Å; Q163-S209 PolarHBondContact NE2-OG 3.36Å; Q163-V244 HydrophobicContact CB-CG1 4.28Å; Q163-V244 HydrophobicContact CG-CG1 3.95Å; Q163-A248 HydrophobicContact CB-CB 3.58Å |
| 164 | I | 98.6 | Very high | 97.5 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 9% | 0.087 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -52.8 | 171.9 | -72.9 | 166.1 | 0 | 0 | 0 | 110 | F160 F161 T167 A168 A248 L251 G252 I255 | F160-I164 HydrophobicContact CD1-CD1 3.57Å; F160-I164 HydrophobicContact CD1-CG1 4.34Å; F160-I164 HydrophobicContact CE1-CD1 3.58Å; F160-I164 HydrophobicContact CE1-CG1 4.32Å; F160-I164 VanDerWaalsContact O-CG1 3.3Å; F160-I164 WeakPolarHBondContact O-CG1 3.33Å; F160-I164 PolarHBondContact O-N 3.05Å; F161-I164 WeakPolarHBondContact O-CB 3.31Å; F161-I164 PolarHBondContact O-N 3.31Å; I164-T167 PolarHBondContact O-N 3.12Å; I164-A168 VanDerWaalsContact O-CB 3.3Å; I164-A168 WeakPolarHBondContact O-CB 3.43Å; I164-A168 PolarHBondContact O-N 3.01Å; I164-A248 HydrophobicContact CG1-CB 4.21Å; I164-L251 HydrophobicContact CD1-CD2 3.68Å; I164-L251 HydrophobicContact CD1-CG 4.21Å; I164-L251 HydrophobicContact CG1-CB 4.31Å; I164-L251 HydrophobicContact CG1-CD2 4.3Å; I164-L251 HydrophobicContact CG1-CG 4.35Å; I164-G252 WeakPolarHBondContact O-CA 3.05Å; I164-I255 HydrophobicContact CG2-CD1 3.72Å |
| 165 | I | 98.4 | Very high | 97.6 | Very high | 71 Ų | 71 | 38.9 Ų | 38.9 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.9 | -43.8 | -175.3 | -62.1 | -58.8 | 0 | 0 | 0 | 110.8 | F161 D162 T167 A168 A169 M205 | F161-I165 HydrophobicContact CD1-CG1 4.33Å; F161-I165 HydrophobicContact CD2-CG1 4.17Å; F161-I165 HydrophobicContact CE1-CG1 3.92Å; F161-I165 HydrophobicContact CE2-CD1 3.82Å; F161-I165 HydrophobicContact CE2-CG1 3.74Å; F161-I165 HydrophobicContact CG-CG1 4.46Å; F161-I165 HydrophobicContact CZ-CD1 3.91Å; F161-I165 HydrophobicContact CZ-CG1 3.6Å; F161-I165 WeakPolarHBondContact O-CG1 3.26Å; F161-I165 PolarHBondContact O-N 3.36Å; D162-I165 PolarHBondContact O-N 3.03Å; I165-T167 VanDerWaalsContact C-N 3.31Å; I165-T167 PolarHBondContact O-N 3.32Å; I165-A168 PolarHBondContact O-N 3.02Å; I165-A169 WeakPolarHBondContact O-CB 3.44Å; I165-A169 PolarHBondContact O-N 3.38Å; I165-M205 HydrophobicContact CB-CE 4.03Å; I165-M205 HydrophobicContact CG2-CE 3.76Å |
| 166 | G | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D162 L170 | D162-G166 PolarHBondContact O-N 3.38Å; G166-L170 WeakPolarHBondContact O-CB 3.5Å; G166-L170 PolarHBondContact O-N 2.96Å |
| 167 | T | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74.6 | -37.1 | 178.5 | -47.9 | 0 | 0 | 0 | 0 | 112.3 | A85 Q163 I164 I165 L170 I171 V213 P249 | A85-T167 HydrophobicContact CB-CG2 3.93Å; Q163-T167 WeakPolarHBondContact O-CB 3.48Å; Q163-T167 PolarHBondContact O-N 3.07Å; Q163-T167 VanDerWaalsContact O-N 3.09Å; Q163-T167 PolarHBondContact O-OG1 2.97Å; I164-T167 PolarHBondContact O-N 3.12Å; I165-T167 VanDerWaalsContact C-N 3.31Å; I165-T167 PolarHBondContact O-N 3.32Å; T167-L170 WeakPolarHBondContact O-CB 3.24Å; T167-L170 PolarHBondContact O-N 3.42Å; T167-I171 HydrophobicContact CG2-CG1 4.24Å; T167-I171 WeakPolarHBondContact O-CB 3.42Å; T167-I171 VanDerWaalsContact O-CG1 3.26Å; T167-I171 WeakPolarHBondContact O-CG1 3.16Å; T167-I171 PolarHBondContact O-N 3.39Å; T167-V213 WeakPolarHBondContact OG1-CA 3.44Å; T167-P249 HydrophobicContact CG2-CB 3.86Å; T167-P249 VanDerWaalsContact CG2-O 3.24Å; T167-P249 WeakPolarHBondContact CG2-O 3.39Å; T167-P249 WeakPolarHBondContact OG1-CA 3.46Å; T167-P249 WeakPolarHBondContact OG1-CB 3.36Å |
| 168 | A | 98.7 | Very high | 97.4 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 10% | 0.099 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I164 I165 I171 V172 G252 I255 | I164-A168 VanDerWaalsContact O-CB 3.3Å; I164-A168 WeakPolarHBondContact O-CB 3.43Å; I164-A168 PolarHBondContact O-N 3.01Å; I165-A168 PolarHBondContact O-N 3.02Å; A168-I171 PolarHBondContact O-N 3.49Å; A168-V172 VanDerWaalsContact O-CG2 3.31Å; A168-V172 WeakPolarHBondContact O-CG2 3.45Å; A168-V172 PolarHBondContact O-N 3.47Å; A168-G252 VanDerWaalsContact CA-O 3.25Å; A168-G252 WeakPolarHBondContact CA-O 3.34Å; A168-G252 WeakPolarHBondContact CB-O 3.29Å; A168-I255 HydrophobicContact CB-CG2 4.34Å |
| 169 | A | 98.4 | Very high | 97.1 | Very high | 39 Ų | 39 | 27.7 Ų | 27.7 | 32% | 0.322 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60 | -46 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I165 I171 V172 C173 | I165-A169 WeakPolarHBondContact O-CB 3.44Å; I165-A169 PolarHBondContact O-N 3.38Å; A169-I171 VanDerWaalsContact C-N 3.33Å; A169-I171 PolarHBondContact O-N 3.28Å; A169-V172 PolarHBondContact O-N 2.95Å; A169-C173 PolarHBondContact O-N 3.4Å; A169-C173 PolarHBondContact O-SG 3.29Å; A169-C173 VanDerWaalsContact O-SG 3.38Å |
| 170 | L | 98.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.8 | -48.8 | 174.7 | 179.2 | 63.4 | 0 | 0 | 0 | 111.5 | G166 T167 C173 I174 V197 V198 I201 V213 | G166-L170 WeakPolarHBondContact O-CB 3.5Å; G166-L170 PolarHBondContact O-N 2.96Å; T167-L170 WeakPolarHBondContact O-CB 3.24Å; T167-L170 PolarHBondContact O-N 3.42Å; L170-C173 PolarHBondContact O-N 2.97Å; L170-I174 HydrophobicContact CD1-CD1 3.72Å; L170-I174 HydrophobicContact CD1-CG1 4.2Å; L170-I174 HydrophobicContact CD2-CD1 4.46Å; L170-I174 HydrophobicContact CG-CD1 3.77Å; L170-I174 WeakPolarHBondContact O-CB 3.35Å; L170-I174 VanDerWaalsContact O-CG1 3.29Å; L170-I174 WeakPolarHBondContact O-CG1 3.4Å; L170-I174 PolarHBondContact O-N 3.45Å; L170-V197 HydrophobicContact CD1-CG1 3.77Å; L170-V198 HydrophobicContact CD1-CG2 4.17Å; L170-I201 HydrophobicContact CB-CD1 3.66Å; L170-I201 HydrophobicContact CD1-CD1 4.06Å; L170-I201 HydrophobicContact CG-CD1 4.43Å; L170-V213 HydrophobicContact CD2-CB 4.29Å; L170-V213 HydrophobicContact CD2-CG2 3.94Å |
| 171 | I | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.8 | -41.9 | -176.3 | -67.4 | -67.8 | 0 | 0 | 0 | 111.6 | V86 S89 T167 A168 A169 C173 I174 L175 A253 | V86-I171 HydrophobicContact CB-CD1 4.29Å; V86-I171 HydrophobicContact CG2-CD1 3.82Å; S89-I171 WeakPolarHBondContact OG-CG2 3.35Å; T167-I171 HydrophobicContact CG2-CG1 4.24Å; T167-I171 WeakPolarHBondContact O-CB 3.42Å; T167-I171 VanDerWaalsContact O-CG1 3.26Å; T167-I171 WeakPolarHBondContact O-CG1 3.16Å; T167-I171 PolarHBondContact O-N 3.39Å; A168-I171 PolarHBondContact O-N 3.49Å; A169-I171 VanDerWaalsContact C-N 3.33Å; A169-I171 PolarHBondContact O-N 3.28Å; I171-C173 VanDerWaalsContact C-N 3.34Å; I171-C173 PolarHBondContact O-N 3.27Å; I171-I174 PolarHBondContact O-N 3.41Å; I171-L175 HydrophobicContact CG2-CD1 3.93Å; I171-L175 HydrophobicContact CG2-CG 4.25Å; I171-L175 WeakPolarHBondContact O-CB 3.2Å; I171-L175 VanDerWaalsContact O-CG 3.26Å; I171-L175 WeakPolarHBondContact O-CG 3.42Å; I171-L175 PolarHBondContact O-N 3.49Å; I171-A253 HydrophobicContact CD1-CB 4.44Å; I171-A253 HydrophobicContact CG1-CB 4.08Å |
| 172 | V | 98.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 30.5 Ų | 30.5 | 26% | 0.255 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.3 | -48.4 | 174.5 | 168.8 | 0 | 0 | 0 | 0 | 110.7 | A168 A169 L175 A176 G256 V259 Y260 | A168-V172 VanDerWaalsContact O-CG2 3.31Å; A168-V172 WeakPolarHBondContact O-CG2 3.45Å; A168-V172 PolarHBondContact O-N 3.47Å; A169-V172 PolarHBondContact O-N 2.95Å; V172-L175 PolarHBondContact O-N 3.35Å; V172-A176 WeakPolarHBondContact O-CB 3.47Å; V172-A176 PolarHBondContact O-N 3.36Å; V172-G256 WeakPolarHBondContact CG2-O 3.47Å; V172-V259 HydrophobicContact CG2-CB 4.31Å; V172-V259 HydrophobicContact CG2-CG1 4.08Å; V172-Y260 HydrophobicContact CG1-CD2 4.34Å |
| 173 | C | 97.8 | Very high | 95.3 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 34% | 0.338 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67 | -41.8 | -179.9 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | A169 L170 I171 A176 I177 V197 | A169-C173 PolarHBondContact O-N 3.4Å; A169-C173 PolarHBondContact O-SG 3.29Å; A169-C173 VanDerWaalsContact O-SG 3.38Å; L170-C173 PolarHBondContact O-N 2.97Å; I171-C173 VanDerWaalsContact C-N 3.34Å; I171-C173 PolarHBondContact O-N 3.27Å; C173-A176 WeakPolarHBondContact O-CB 3.38Å; C173-A176 PolarHBondContact O-N 2.7Å; C173-I177 WeakPolarHBondContact O-CD1 3.29Å; C173-I177 WeakPolarHBondContact O-CG1 3.46Å; C173-I177 PolarHBondContact O-N 3.12Å; C173-V197 HydrophobicContact CB-CB 4.35Å; C173-V197 HydrophobicContact CB-CG1 3.72Å; C173-V197 HydrophobicContact CB-CG2 3.62Å |
| 174 | I | 97 | Very high | 94.6 | Very high | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 176.2 | -73.5 | 172.6 | 0 | 0 | 0 | 110.3 | V86 L170 I171 A176 I177 V178 V194 | V86-I174 HydrophobicContact CG1-CD1 4.42Å; V86-I174 HydrophobicContact CG1-CG2 4.49Å; V86-I174 HydrophobicContact CG2-CD1 3.6Å; L170-I174 HydrophobicContact CD1-CD1 3.72Å; L170-I174 HydrophobicContact CD1-CG1 4.2Å; L170-I174 HydrophobicContact CD2-CD1 4.46Å; L170-I174 HydrophobicContact CG-CD1 3.77Å; L170-I174 WeakPolarHBondContact O-CB 3.35Å; L170-I174 VanDerWaalsContact O-CG1 3.29Å; L170-I174 WeakPolarHBondContact O-CG1 3.4Å; L170-I174 PolarHBondContact O-N 3.45Å; I171-I174 PolarHBondContact O-N 3.41Å; I174-A176 VanDerWaalsContact C-N 3.31Å; I174-A176 PolarHBondContact O-N 3Å; I174-I177 PolarHBondContact O-N 3.07Å; I174-I177 VanDerWaalsContact O-N 3.12Å; I174-V178 HydrophobicContact CG2-CG1 4.48Å; I174-V178 WeakPolarHBondContact O-CG2 3.33Å; I174-V178 PolarHBondContact O-N 3.36Å; I174-V194 HydrophobicContact CD1-CG1 4.27Å; I174-V194 HydrophobicContact CG1-CG1 4.13Å; I174-V194 HydrophobicContact CG1-CG2 4.38Å |
| 175 | L | 96.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 178.5 | -68.4 | 178.6 | 0 | 0 | 0 | 111.1 | L90 L93 I171 V172 I177 V178 D179 T257 Y260 | L90-L175 HydrophobicContact CD2-CD2 4.31Å; L93-L175 HydrophobicContact CD1-CD1 3.98Å; L93-L175 HydrophobicContact CD1-CD2 3.42Å; L93-L175 VanDerWaalsContact CD1-CD2 3.42Å; L93-L175 HydrophobicContact CD1-CG 4.36Å; I171-L175 HydrophobicContact CG2-CD1 3.93Å; I171-L175 HydrophobicContact CG2-CG 4.25Å; I171-L175 WeakPolarHBondContact O-CB 3.2Å; I171-L175 VanDerWaalsContact O-CG 3.26Å; I171-L175 WeakPolarHBondContact O-CG 3.42Å; I171-L175 PolarHBondContact O-N 3.49Å; V172-L175 PolarHBondContact O-N 3.35Å; L175-I177 VanDerWaalsContact C-N 3.29Å; L175-I177 PolarHBondContact O-N 3.27Å; L175-V178 PolarHBondContact O-N 3.03Å; L175-D179 VanDerWaalsContact O-CB 3.25Å; L175-D179 WeakPolarHBondContact O-CB 3.5Å; L175-D179 PolarHBondContact O-N 2.93Å; L175-T257 HydrophobicContact CD1-CG2 4.31Å; L175-Y260 HydrophobicContact CB-CD1 3.48Å; L175-Y260 VanDerWaalsContact CB-CD1 3.48Å; L175-Y260 HydrophobicContact CB-CD2 4.11Å; L175-Y260 HydrophobicContact CB-CE1 3.75Å; L175-Y260 HydrophobicContact CB-CE2 4.37Å; L175-Y260 HydrophobicContact CB-CG 3.67Å; L175-Y260 HydrophobicContact CD1-CD1 3.87Å; L175-Y260 HydrophobicContact CD1-CG 4.05Å; L175-Y260 HydrophobicContact CG-CD1 4.29Å |
| 176 | A | 95.8 | Very high | 93.8 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 22% | 0.223 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.4 | -37.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | V172 C173 I174 N182 Y260 | V172-A176 WeakPolarHBondContact O-CB 3.47Å; V172-A176 PolarHBondContact O-N 3.36Å; C173-A176 WeakPolarHBondContact O-CB 3.38Å; C173-A176 PolarHBondContact O-N 2.7Å; I174-A176 VanDerWaalsContact C-N 3.31Å; I174-A176 PolarHBondContact O-N 3Å; A176-N182 PolarHBondContact O-ND2 3.49Å; A176-Y260 VanDerWaalsContact CA-CE2 3.48Å; A176-Y260 HydrophobicContact CB-CD2 4.4Å; A176-Y260 HydrophobicContact CB-CE2 3.68Å |
| 177 | I | 94.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -74 | -39.5 | -179.2 | -70.4 | 160.3 | 0 | 0 | 0 | 111.8 | C173 I174 L175 I185 E190 T193 V194 V197 | C173-I177 WeakPolarHBondContact O-CD1 3.29Å; C173-I177 WeakPolarHBondContact O-CG1 3.46Å; C173-I177 PolarHBondContact O-N 3.12Å; I174-I177 PolarHBondContact O-N 3.07Å; I174-I177 VanDerWaalsContact O-N 3.12Å; L175-I177 VanDerWaalsContact C-N 3.29Å; L175-I177 PolarHBondContact O-N 3.27Å; I177-I185 HydrophobicContact CG2-CG1 4.35Å; I177-E190 HydrophobicContact CG2-CB 4.26Å; I177-T193 HydrophobicContact CD1-CG2 3.56Å; I177-T193 HydrophobicContact CG1-CG2 3.8Å; I177-V194 HydrophobicContact CD1-CG2 3.95Å; I177-V194 HydrophobicContact CG2-CG2 4.19Å; I177-V197 HydrophobicContact CD1-CG2 3.97Å |
| 178 | V | 91.3 | Very high | 92.5 | Very high | 67 Ų | 67 | 55.5 Ų | 55.5 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -96.3 | 0.5 | -174.4 | -52.4 | 0 | 0 | 0 | 0 | 113.4 | I174 L175 P180 | I174-V178 HydrophobicContact CG2-CG1 4.48Å; I174-V178 WeakPolarHBondContact O-CG2 3.33Å; I174-V178 PolarHBondContact O-N 3.36Å; L175-V178 PolarHBondContact O-N 3.03Å; V178-P180 WeakPolarHBondContact O-CD 3.23Å |
| 179 | D | 91.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.032 | 35% | 0.345 | C | S | . | . | trans | -75 | 117.1 | 174.7 | -166.7 | -43.2 | 0 | 0 | 0 | 110 | R95 L175 Y181 N182 Y260 | R95-D179 IonicContact NH2-OD2 2.86Å; L175-D179 VanDerWaalsContact O-CB 3.25Å; L175-D179 WeakPolarHBondContact O-CB 3.5Å; L175-D179 PolarHBondContact O-N 2.93Å; D179-Y181 PolarHBondContact O-N 3.36Å; D179-Y181 WeakPolarHBondContact OD1-CB 3.2Å; D179-Y181 PolarHBondContact OD1-N 3.47Å; D179-N182 HydrophobicContact CB-CB 3.87Å; D179-N182 PolarHBondContact O-N 3.14Å; D179-N182 PolarHBondContact OD1-N 2.98Å; D179-Y260 HydrophobicContact CB-CE1 4.47Å; D179-Y260 WeakPolarHBondContact CB-OH 3.42Å; D179-Y260 PolarHBondContact OD2-OH 2.8Å | ||
| 180 | P | 87.3 | Confident | 92 | Very high | 100 Ų | 100 | 60.5 Ų | 60.5 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -15.8 | -177 | 29.8 | -36.3 | 0 | 0 | 0 | 113.7 | V178 | V178-P180 WeakPolarHBondContact O-CD 3.23Š|
| 181 | Y | 88.6 | Confident | 91.8 | Very high | 113 Ų | 113 | 60.6 Ų | 60.6 | 44% | 0.443 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -16.2 | -177.5 | -51.1 | -64.3 | 0 | 0 | 0 | 112.9 | D179 V268 E269 V272 | D179-Y181 PolarHBondContact O-N 3.36Å; D179-Y181 WeakPolarHBondContact OD1-CB 3.2Å; D179-Y181 PolarHBondContact OD1-N 3.47Å; Y181-V268 VanDerWaalsContact CB-CG1 3.48Å; Y181-V268 WeakPolarHBondContact O-CG1 3.06Å; Y181-E269 HydrophobicContact CD2-CG 3.78Å; Y181-E269 HydrophobicContact CE2-CG 4.04Å; Y181-V272 HydrophobicContact CD1-CB 4.24Å; Y181-V272 HydrophobicContact CD1-CG1 4.06Å; Y181-V272 HydrophobicContact CD1-CG2 3.61Å; Y181-V272 HydrophobicContact CE1-CB 4.31Å; Y181-V272 HydrophobicContact CE1-CG1 3.73Å; Y181-V272 HydrophobicContact CE1-CG2 4.16Å; Y181-V272 HydrophobicContact CG-CG2 4.05Å |
| 182 | N | 89.5 | Confident | 91.8 | Very high | 40 Ų | 40 | 65.5 Ų | 65.5 | 21% | 0.214 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -78.2 | 179.5 | 174.9 | -164.4 | 16.1 | 0 | 0 | 0 | 111.3 | A176 D179 P184 | A176-N182 PolarHBondContact O-ND2 3.49Å; D179-N182 HydrophobicContact CB-CB 3.87Å; D179-N182 PolarHBondContact O-N 3.14Å; D179-N182 PolarHBondContact OD1-N 2.98Å; N182-P184 WeakPolarHBondContact O-CD 3.5Å |
| 183 | N | 85.7 | Confident | 91.7 | Very high | 132 Ų | 132 | 65.2 Ų | 65.2 | 71% | 0.706 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -48.7 | 116.5 | 178.3 | -79 | -20.4 | 0 | 0 | 0 | 111.6 | I185 | N183-I185 PolarHBondContact O-N 2.86Š|
| 184 | P | 83.8 | Confident | 91.7 | Very high | 122 Ų | 122 | 63.7 Ų | 63.7 | 79% | 0.792 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 126.9 | -171.8 | 26.4 | -34 | 0 | 0 | 0 | 110.4 | N182 | N182-P184 WeakPolarHBondContact O-CD 3.5Š|
| 185 | I | 89.4 | Confident | 91.7 | Very high | 54 Ų | 54 | 63 Ų | 63 | 28% | 0.277 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 136.5 | 168.8 | -56.9 | -57.4 | 0 | 0 | 0 | 108 | I177 N183 Q187 L189 E190 | I177-I185 HydrophobicContact CG2-CG1 4.35Å; N183-I185 PolarHBondContact O-N 2.86Å; I185-Q187 PolarHBondContact O-N 3.46Å; I185-L189 HydrophobicContact CG2-CB 3.88Å; I185-E190 HydrophobicContact CB-CG 4.47Å; I185-E190 HydrophobicContact CG2-CG 4.33Å |
| 186 | P | 90.6 | Very high | 91.8 | Very high | 84 Ų | 84 | 68.2 Ų | 68.2 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 134.6 | 174 | -25.1 | 34 | 0 | 0 | 0 | 111.2 | G188 L189 | P186-G188 PolarHBondContact O-N 2.88Å; P186-L189 HydrophobicContact CB-CD1 3.9Å; P186-L189 HydrophobicContact CB-CG 4.28Å; P186-L189 HydrophobicContact CG-CD1 4Å; P186-L189 WeakPolarHBondContact O-CB 3.44Å; P186-L189 PolarHBondContact O-N 2.98Å |
| 187 | Q | 86.1 | Confident | 91.9 | Very high | 189 Ų | 189 | 67.7 Ų | 67.7 | 88% | 0.883 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 128.4 | -175.5 | -171.2 | -179.7 | 9.4 | 0 | 0 | 111.4 | I185 | I185-Q187 PolarHBondContact O-N 3.46Š|
| 188 | G | 85.2 | Confident | 92.1 | Very high | 47 Ų | 47 | 67.8 Ų | 67.8 | 49% | 0.485 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -10.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P186 E190 | P186-G188 PolarHBondContact O-N 2.88Å; G188-E190 VanDerWaalsContact C-OE2 3.28Å; G188-E190 WeakPolarHBondContact CA-OE2 3.35Å; G188-E190 PolarHBondContact N-OE1 3.45Å; G188-E190 PolarHBondContact N-OE2 3.43Å |
| 189 | L | 92.9 | Very high | 92.4 | Very high | 86 Ų | 86 | 65.2 Ų | 65.2 | 45% | 0.45 | 35% | 0.354 | S | S | . | . | trans | -91.8 | -5.5 | 174.7 | -63.7 | -173.7 | 0 | 0 | 0 | 113.6 | I185 P186 A191 F192 T193 | I185-L189 HydrophobicContact CG2-CB 3.88Å; P186-L189 HydrophobicContact CB-CD1 3.9Å; P186-L189 HydrophobicContact CB-CG 4.28Å; P186-L189 HydrophobicContact CG-CD1 4Å; P186-L189 WeakPolarHBondContact O-CB 3.44Å; P186-L189 PolarHBondContact O-N 2.98Å; L189-A191 VanDerWaalsContact C-N 3.31Å; L189-A191 PolarHBondContact O-N 3.45Å; L189-F192 PolarHBondContact O-N 2.87Å; L189-F192 VanDerWaalsContact O-N 3.12Å; L189-T193 PolarHBondContact O-N 3.34Å; L189-T193 PolarHBondContact O-OG1 3.4Å | ||
| 190 | E | 92.6 | Very high | 92.8 | Very high | 70 Ų | 70 | 68 Ų | 68 | 33% | 0.327 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.3 | -45.8 | -178.2 | -53.3 | 86.9 | 164.7 | 0 | 0 | 110.8 | I177 I185 G188 F192 T193 V194 | I177-E190 HydrophobicContact CG2-CB 4.26Å; I185-E190 HydrophobicContact CB-CG 4.47Å; I185-E190 HydrophobicContact CG2-CG 4.33Å; G188-E190 VanDerWaalsContact C-OE2 3.28Å; G188-E190 WeakPolarHBondContact CA-OE2 3.35Å; G188-E190 PolarHBondContact N-OE1 3.45Å; G188-E190 PolarHBondContact N-OE2 3.43Å; E190-F192 VanDerWaalsContact C-N 3.33Å; E190-F192 PolarHBondContact O-N 3.49Å; E190-T193 PolarHBondContact O-N 3.39Å; E190-V194 WeakPolarHBondContact O-CG2 3.13Å; E190-V194 PolarHBondContact O-N 3.18Å |
| 191 | A | 95.6 | Very high | 93.3 | Very high | 6 Ų | 6 | 63.6 Ų | 63.6 | 5% | 0.05 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.1 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T68 I71 L72 L189 V194 G195 | T68-A191 HydrophobicContact CG2-CB 4.45Å; T68-A191 PolarHBondContact OG1-O 3.07Å; I71-A191 HydrophobicContact CB-CB 3.88Å; I71-A191 HydrophobicContact CG2-CB 3.59Å; L72-A191 HydrophobicContact CD2-CB 3.71Å; L72-A191 HydrophobicContact CG-CB 3.77Å; L189-A191 VanDerWaalsContact C-N 3.31Å; L189-A191 PolarHBondContact O-N 3.45Å; A191-V194 PolarHBondContact O-N 3.42Å; A191-G195 PolarHBondContact O-N 3.01Å; A191-G195 VanDerWaalsContact O-N 3.07Å |
| 192 | F | 96.9 | Very high | 93.7 | Very high | 105 Ų | 105 | 58.2 Ų | 58.2 | 46% | 0.461 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 178 | 178.8 | -91 | 0 | 0 | 0 | 111.3 | F65 T68 L189 E190 V194 G195 F196 | F65-F192 HydrophobicContact CE1-CE2 4.07Å; T68-F192 HydrophobicContact CG2-CB 4.17Å; T68-F192 HydrophobicContact CG2-CD2 4.44Å; L189-F192 PolarHBondContact O-N 2.87Å; L189-F192 VanDerWaalsContact O-N 3.12Å; E190-F192 VanDerWaalsContact C-N 3.33Å; E190-F192 PolarHBondContact O-N 3.49Å; F192-V194 VanDerWaalsContact C-N 3.35Å; F192-V194 PolarHBondContact O-N 3.06Å; F192-G195 PolarHBondContact O-N 3.38Å; F192-F196 PolarHBondContact O-N 2.96Å |
| 193 | T | 96.9 | Very high | 94.1 | Very high | 36 Ų | 36 | 60 Ų | 60 | 22% | 0.221 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 179.1 | -51.5 | 0 | 0 | 0 | 0 | 111.5 | I177 L189 E190 F196 V197 | I177-T193 HydrophobicContact CD1-CG2 3.56Å; I177-T193 HydrophobicContact CG1-CG2 3.8Å; L189-T193 PolarHBondContact O-N 3.34Å; L189-T193 PolarHBondContact O-OG1 3.4Å; E190-T193 PolarHBondContact O-N 3.39Å; T193-F196 WeakPolarHBondContact O-CB 3.26Å; T193-F196 PolarHBondContact O-N 3.02Å; T193-V197 WeakPolarHBondContact O-CG2 3.47Å; T193-V197 PolarHBondContact O-N 3.44Å |
| 194 | V | 97.4 | Very high | 94.6 | Very high | 18 Ų | 18 | 57.7 Ų | 57.7 | 11% | 0.109 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.3 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | I71 I174 I177 E190 A191 F192 F196 V197 V198 | I71-V194 HydrophobicContact CD1-CB 3.64Å; I71-V194 HydrophobicContact CD1-CG1 3.4Å; I71-V194 VanDerWaalsContact CD1-CG1 3.4Å; I71-V194 HydrophobicContact CD1-CG2 4.39Å; I174-V194 HydrophobicContact CD1-CG1 4.27Å; I174-V194 HydrophobicContact CG1-CG1 4.13Å; I174-V194 HydrophobicContact CG1-CG2 4.38Å; I177-V194 HydrophobicContact CD1-CG2 3.95Å; I177-V194 HydrophobicContact CG2-CG2 4.19Å; E190-V194 WeakPolarHBondContact O-CG2 3.13Å; E190-V194 PolarHBondContact O-N 3.18Å; A191-V194 PolarHBondContact O-N 3.42Å; F192-V194 VanDerWaalsContact C-N 3.35Å; F192-V194 PolarHBondContact O-N 3.06Å; V194-F196 VanDerWaalsContact C-N 3.29Å; V194-F196 PolarHBondContact O-N 3.38Å; V194-V197 WeakPolarHBondContact O-CB 3.37Å; V194-V197 PolarHBondContact O-N 2.82Å; V194-V198 PolarHBondContact O-N 3.36Å |
| 195 | G | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.3 | -33.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G64 T68 A191 F192 V197 V198 L199 | G64-G195 VanDerWaalsContact CA-O 3.23Å; G64-G195 WeakPolarHBondContact CA-O 3.45Å; G64-G195 VanDerWaalsContact O-CA 3.22Å; G64-G195 WeakPolarHBondContact O-CA 3.35Å; T68-G195 WeakPolarHBondContact OG1-CA 3.37Å; A191-G195 PolarHBondContact O-N 3.01Å; A191-G195 VanDerWaalsContact O-N 3.07Å; F192-G195 PolarHBondContact O-N 3.38Å; G195-V197 VanDerWaalsContact C-N 3.34Å; G195-V197 PolarHBondContact O-N 3.34Å; G195-V198 PolarHBondContact O-N 3.07Å; G195-L199 PolarHBondContact O-N 2.85Å |
| 196 | F | 98.1 | Very high | 95.5 | Very high | 110 Ų | 110 | 51.6 Ų | 51.6 | 48% | 0.482 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 172.1 | -178.3 | -101.7 | 0 | 0 | 0 | 112.2 | F192 T193 V194 L199 V200 | F192-F196 PolarHBondContact O-N 2.96Å; T193-F196 WeakPolarHBondContact O-CB 3.26Å; T193-F196 PolarHBondContact O-N 3.02Å; V194-F196 VanDerWaalsContact C-N 3.29Å; V194-F196 PolarHBondContact O-N 3.38Å; F196-L199 HydrophobicContact CD2-CD2 4.32Å; F196-L199 WeakPolarHBondContact O-CB 3.39Å; F196-L199 PolarHBondContact O-N 3.13Å; F196-V200 HydrophobicContact CD1-CG2 4.19Å; F196-V200 HydrophobicContact CE1-CG2 3.75Å; F196-V200 HydrophobicContact CE2-CG2 4.23Å; F196-V200 HydrophobicContact CZ-CG2 3.77Å; F196-V200 WeakPolarHBondContact O-CG2 3.35Å; F196-V200 PolarHBondContact O-N 3.04Å |
| 197 | V | 98.3 | Very high | 95.7 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 172.9 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | L170 C173 I177 T193 V194 G195 L199 V200 I201 | L170-V197 HydrophobicContact CD1-CG1 3.77Å; C173-V197 HydrophobicContact CB-CB 4.35Å; C173-V197 HydrophobicContact CB-CG1 3.72Å; C173-V197 HydrophobicContact CB-CG2 3.62Å; I177-V197 HydrophobicContact CD1-CG2 3.97Å; T193-V197 WeakPolarHBondContact O-CG2 3.47Å; T193-V197 PolarHBondContact O-N 3.44Å; V194-V197 WeakPolarHBondContact O-CB 3.37Å; V194-V197 PolarHBondContact O-N 2.82Å; G195-V197 VanDerWaalsContact C-N 3.34Å; G195-V197 PolarHBondContact O-N 3.34Å; V197-L199 VanDerWaalsContact C-N 3.31Å; V197-L199 PolarHBondContact O-N 3.1Å; V197-V200 PolarHBondContact O-N 2.84Å; V197-I201 HydrophobicContact CG1-CD1 3.83Å; V197-I201 HydrophobicContact CG1-CG1 4.47Å; V197-I201 WeakPolarHBondContact O-CG1 3.34Å; V197-I201 PolarHBondContact O-N 3.09Å |
| 198 | V | 98.3 | Very high | 96.2 | Very high | 21 Ų | 21 | 48 Ų | 48 | 13% | 0.127 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 177 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | F63 A67 L170 V194 G195 I201 G202 | F63-V198 HydrophobicContact CB-CG1 4.46Å; A67-V198 HydrophobicContact CB-CB 4.35Å; A67-V198 HydrophobicContact CB-CG1 4.49Å; A67-V198 HydrophobicContact CB-CG2 4.04Å; L170-V198 HydrophobicContact CD1-CG2 4.17Å; V194-V198 PolarHBondContact O-N 3.36Å; G195-V198 PolarHBondContact O-N 3.07Å; V198-I201 PolarHBondContact O-N 3.32Å; V198-G202 PolarHBondContact O-N 3.41Å |
| 199 | L | 98.4 | Very high | 96.6 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.4 | -51.1 | 174.7 | 171.2 | 60.7 | 0 | 0 | 0 | 111.6 | N60 F61 G195 F196 V197 I201 G202 L203 | N60-L199 VanDerWaalsContact C-CD1 3.4Å; N60-L199 HydrophobicContact CB-CD1 3.91Å; N60-L199 WeakPolarHBondContact O-CD1 3.39Å; F61-L199 HydrophobicContact CD1-CD1 3.99Å; F61-L199 HydrophobicContact CD1-CD2 3.81Å; F61-L199 HydrophobicContact CE1-CD1 4.4Å; F61-L199 HydrophobicContact CE1-CD2 3.77Å; F61-L199 HydrophobicContact CG-CD1 4.31Å; G195-L199 PolarHBondContact O-N 2.85Å; F196-L199 HydrophobicContact CD2-CD2 4.32Å; F196-L199 WeakPolarHBondContact O-CB 3.39Å; F196-L199 PolarHBondContact O-N 3.13Å; V197-L199 VanDerWaalsContact C-N 3.31Å; V197-L199 PolarHBondContact O-N 3.1Å; L199-I201 VanDerWaalsContact C-N 3.34Å; L199-I201 PolarHBondContact O-N 3.39Å; L199-G202 PolarHBondContact O-N 3.41Å; L199-L203 HydrophobicContact CD1-CD1 3.74Å; L199-L203 HydrophobicContact CD1-CG 3.95Å; L199-L203 HydrophobicContact CG-CD1 3.91Å; L199-L203 HydrophobicContact CG-CG 4.48Å; L199-L203 VanDerWaalsContact O-CG 3.29Å; L199-L203 WeakPolarHBondContact O-CG 3.28Å; L199-L203 PolarHBondContact O-N 3.05Å |
| 200 | V | 98.3 | Very high | 96.6 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 39% | 0.394 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -42.1 | -178.2 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | F196 V197 G202 L203 S204 | F196-V200 HydrophobicContact CD1-CG2 4.19Å; F196-V200 HydrophobicContact CE1-CG2 3.75Å; F196-V200 HydrophobicContact CE2-CG2 4.23Å; F196-V200 HydrophobicContact CZ-CG2 3.77Å; F196-V200 WeakPolarHBondContact O-CG2 3.35Å; F196-V200 PolarHBondContact O-N 3.04Å; V197-V200 PolarHBondContact O-N 2.84Å; V200-G202 VanDerWaalsContact C-N 3.34Å; V200-G202 PolarHBondContact O-N 3.33Å; V200-L203 PolarHBondContact O-N 3.24Å; V200-S204 WeakPolarHBondContact O-CB 3.1Å; V200-S204 PolarHBondContact O-N 2.83Å; V200-S204 PolarHBondContact O-OG 2.74Å |
| 201 | I | 98.2 | Very high | 96.8 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -45.3 | 175.3 | -68.4 | 169.2 | 0 | 0 | 0 | 110.3 | L170 V197 V198 L199 L203 S204 M205 V213 | L170-I201 HydrophobicContact CB-CD1 3.66Å; L170-I201 HydrophobicContact CD1-CD1 4.06Å; L170-I201 HydrophobicContact CG-CD1 4.43Å; V197-I201 HydrophobicContact CG1-CD1 3.83Å; V197-I201 HydrophobicContact CG1-CG1 4.47Å; V197-I201 WeakPolarHBondContact O-CG1 3.34Å; V197-I201 PolarHBondContact O-N 3.09Å; V198-I201 PolarHBondContact O-N 3.32Å; L199-I201 VanDerWaalsContact C-N 3.34Å; L199-I201 PolarHBondContact O-N 3.39Å; I201-L203 VanDerWaalsContact C-N 3.34Å; I201-L203 PolarHBondContact O-N 3.06Å; I201-S204 PolarHBondContact O-N 2.97Å; I201-S204 PolarHBondContact O-OG 2.93Å; I201-M205 HydrophobicContact CG2-CB 4.48Å; I201-M205 HydrophobicContact CG2-SD 4.43Å; I201-M205 WeakPolarHBondContact O-CA 3.32Å; I201-M205 WeakPolarHBondContact O-CB 3.48Å; I201-M205 PolarHBondContact O-N 3.47Å; I201-V213 HydrophobicContact CG2-CG1 4.38Å |
| 202 | G | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -40.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F56 N60 V198 L199 V200 G206 | F56-G202 WeakPolarHBondContact CZ-O 3.42Å; N60-G202 VanDerWaalsContact OD1-C 3.29Å; N60-G202 WeakPolarHBondContact OD1-CA 3.39Å; N60-G202 PolarHBondContact OD1-O 3.02Å; V198-G202 PolarHBondContact O-N 3.41Å; L199-G202 PolarHBondContact O-N 3.41Å; V200-G202 VanDerWaalsContact C-N 3.34Å; V200-G202 PolarHBondContact O-N 3.33Å; G202-G206 WeakPolarHBondContact O-CA 3.5Å; G202-G206 PolarHBondContact O-N 2.77Å; G202-G206 VanDerWaalsContact O-N 3.13Å |
| 203 | L | 97.6 | Very high | 96.7 | Very high | 77 Ų | 77 | 35.5 Ų | 35.5 | 40% | 0.403 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.4 | -32.2 | 178.4 | -68.5 | 173.3 | 0 | 0 | 0 | 113.8 | L57 N60 L199 V200 I201 | L57-L203 HydrophobicContact CD1-CD2 3.49Å; L57-L203 VanDerWaalsContact CD1-CD2 3.49Å; N60-L203 HydrophobicContact CB-CD2 3.75Å; N60-L203 HydrophobicContact CB-CG 4.06Å; L199-L203 HydrophobicContact CD1-CD1 3.74Å; L199-L203 HydrophobicContact CD1-CG 3.95Å; L199-L203 HydrophobicContact CG-CD1 3.91Å; L199-L203 HydrophobicContact CG-CG 4.48Å; L199-L203 VanDerWaalsContact O-CG 3.29Å; L199-L203 WeakPolarHBondContact O-CG 3.28Å; L199-L203 PolarHBondContact O-N 3.05Å; V200-L203 PolarHBondContact O-N 3.24Å; I201-L203 VanDerWaalsContact C-N 3.34Å; I201-L203 PolarHBondContact O-N 3.06Å |
| 204 | S | 97.1 | Very high | 96.8 | Very high | 84 Ų | 84 | 34.2 Ų | 34.2 | 59% | 0.587 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -98.2 | -29.8 | -174 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | V200 I201 | V200-S204 WeakPolarHBondContact O-CB 3.1Å; V200-S204 PolarHBondContact O-N 2.83Å; V200-S204 PolarHBondContact O-OG 2.74Å; I201-S204 PolarHBondContact O-N 2.97Å; I201-S204 PolarHBondContact O-OG 2.93Å |
| 205 | M | 95.8 | Very high | 96.9 | Very high | 42 Ų | 42 | 33.4 Ų | 33.4 | 21% | 0.207 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -126.2 | 5 | -170 | -54 | -178.7 | 70.2 | 0 | 0 | 113.2 | I165 I201 F207 | I165-M205 HydrophobicContact CB-CE 4.03Å; I165-M205 HydrophobicContact CG2-CE 3.76Å; I201-M205 HydrophobicContact CG2-CB 4.48Å; I201-M205 HydrophobicContact CG2-SD 4.43Å; I201-M205 WeakPolarHBondContact O-CA 3.32Å; I201-M205 WeakPolarHBondContact O-CB 3.48Å; I201-M205 PolarHBondContact O-N 3.47Å; M205-F207 PolarHBondContact O-N 2.74Å |
| 206 | G | 95.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -79.6 | -14.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | G202 G210 Y211 | G202-G206 WeakPolarHBondContact O-CA 3.5Å; G202-G206 PolarHBondContact O-N 2.77Å; G202-G206 VanDerWaalsContact O-N 3.13Å; G206-G210 WeakPolarHBondContact O-CA 3.3Å; G206-G210 PolarHBondContact O-N 3.21Å; G206-Y211 VanDerWaalsContact CA-CD1 3.48Å |
| 207 | F | 95.7 | Very high | 96.9 | Very high | 154 Ų | 154 | 28.9 Ų | 28.9 | 68% | 0.675 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -67.7 | -38.6 | -176 | 174.8 | -126.5 | 0 | 0 | 0 | 113.7 | H153 M205 | H153-F207 AromaticContact CE1-CE1 3.32Å; H153-F207 WeakPolarHBondContact CE1-CE1 3.28Å; H153-F207 AromaticContact CE1-CZ 3.41Å; H153-F207 VanDerWaalsContact CE1-CZ 3.41Å; H153-F207 WeakPolarHBondContact CE1-CZ 3.37Å; H153-F207 AromaticContact NE2-CE1 3.68Å; M205-F207 PolarHBondContact O-N 2.74Å |
| 208 | N | 96.3 | Very high | 96.9 | Very high | 43 Ų | 43 | 28.1 Ų | 28.1 | 23% | 0.23 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.9 | -54.5 | -173.6 | -75.2 | -28.6 | 0 | 0 | 0 | 111.8 | A151 H153 L154 D162 | A151-N208 VanDerWaalsContact CB-O 3.26Å; A151-N208 WeakPolarHBondContact CB-O 3.12Å; A151-N208 PolarHBondContact N-O 2.94Å; H153-N208 PolarHBondContact NE2-OD1 2.8Å; L154-N208 HydrophobicContact CD1-CB 4.09Å; L154-N208 HydrophobicContact CD2-CB 3.93Å; L154-N208 WeakPolarHBondContact CD2-O 3.46Å; D162-N208 WeakPolarHBondContact OD1-CB 3.35Å; D162-N208 PolarHBondContact OD1-ND2 3.26Å |
| 209 | S | 94.1 | Very high | 97 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -142.7 | 12.2 | -168.7 | 69.8 | 0 | 0 | 0 | 0 | 114.4 | T148 D162 Q163 Y211 | T148-S209 VanDerWaalsContact CB-O 3.3Å; T148-S209 WeakPolarHBondContact CB-O 3.3Å; D162-S209 PolarHBondContact OD2-OG 3.33Å; Q163-S209 PolarHBondContact NE2-OG 3.36Å; S209-Y211 VanDerWaalsContact C-N 3.35Å; S209-Y211 PolarHBondContact O-N 2.63Å |
| 210 | G | 93.1 | Very high | 97 | Very high | 26 Ų | 26 | 29.1 Ų | 29.1 | 27% | 0.268 | 16% | 0.159 | S | C | . | . | trans | 72.8 | 24.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G206 A212 | G206-G210 WeakPolarHBondContact O-CA 3.3Å; G206-G210 PolarHBondContact O-N 3.21Å; G210-A212 PolarHBondContact O-N 3.24Å | ||
| 211 | Y | 95.6 | Very high | 97 | Very high | 14 Ų | 14 | 26 Ų | 26 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | trans | 44.5 | 52.7 | 171 | 63.3 | -81.2 | 0 | 0 | 0 | 114.1 | N60 F63 G206 S209 V213 | N60-Y211 WeakPolarHBondContact OD1-CE1 3.48Å; N60-Y211 PolarHBondContact OD1-OH 3.38Å; F63-Y211 HydrophobicContact CB-CE2 4.2Å; F63-Y211 VanDerWaalsContact CD2-OH 3.28Å; F63-Y211 WeakPolarHBondContact CD2-OH 3.42Å; F63-Y211 HydrophobicContact CG-CE2 4.27Å; G206-Y211 VanDerWaalsContact CA-CD1 3.48Å; S209-Y211 VanDerWaalsContact C-N 3.35Å; S209-Y211 PolarHBondContact O-N 2.63Å; Y211-V213 WeakPolarHBondContact O-CG2 3.38Å; Y211-V213 PolarHBondContact O-N 3.25Å | ||
| 212 | A | 94.5 | Very high | 97 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | trans | -51.9 | -53.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T148 G210 N214 D218 P245 | T148-A212 HydrophobicContact CG2-CB 3.76Å; G210-A212 PolarHBondContact O-N 3.24Å; A212-N214 WeakPolarHBondContact O-CB 3.26Å; A212-N214 PolarHBondContact O-N 3.19Å; A212-D218 HydrophobicContact CB-CB 4.42Å; A212-P245 HydrophobicContact CB-CB 3.5Å | ||
| 213 | V | 97.2 | Very high | 97 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 6% | 0.061 | 16% | 0.155 | C | C | . | . | trans | 45 | 6.5 | 174.6 | -53.7 | 0 | 0 | 0 | 0 | 116.7 | N83 T167 L170 I201 Y211 | N83-V213 PolarHBondContact ND2-O 3Å; T167-V213 WeakPolarHBondContact OG1-CA 3.44Å; L170-V213 HydrophobicContact CD2-CB 4.29Å; L170-V213 HydrophobicContact CD2-CG2 3.94Å; I201-V213 HydrophobicContact CG2-CG1 4.38Å; Y211-V213 WeakPolarHBondContact O-CG2 3.38Å; Y211-V213 PolarHBondContact O-N 3.25Å | ||
| 214 | N | 98.5 | Very high | 97.1 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 5% | 0.048 | 14% | 0.139 | C | C | . | . | trans | -151.2 | 106.1 | -170.6 | 177.3 | -21 | 0 | 0 | 0 | 108.1 | L82 N83 P84 A212 A216 R217 D218 | L82-N214 PolarHBondContact O-ND2 3.05Å; N83-N214 HydrophobicContact CB-CB 4.31Å; N83-N214 WeakPolarHBondContact CB-ND2 3.43Å; N83-N214 VanDerWaalsContact CG-CG 3.44Å; N83-N214 WeakPolarHBondContact ND2-CB 3.46Å; N83-N214 WeakPolarHBondContact OD1-CA 3Å; P84-N214 VanDerWaalsContact CD-OD1 3.3Å; P84-N214 WeakPolarHBondContact CD-OD1 3.49Å; A212-N214 WeakPolarHBondContact O-CB 3.26Å; A212-N214 PolarHBondContact O-N 3.19Å; N214-A216 VanDerWaalsContact C-N 3.3Å; N214-A216 PolarHBondContact O-N 3.05Å; N214-A216 PolarHBondContact OD1-N 3.5Å; N214-R217 HydrophobicContact CB-CB 3.74Å; N214-R217 VanDerWaalsContact CG-CB 3.49Å; N214-R217 PolarHBondContact O-N 3.27Å; N214-R217 PolarHBondContact OD1-N 3.17Å; N214-R217 VanDerWaalsContact OD1-N 3.09Å; N214-D218 PolarHBondContact O-N 3.41Å | ||
| 215 | P | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.9 | -38.4 | -179.4 | -29.7 | 37 | 0 | 0 | 0 | 114.1 | N83 P84 F105 D218 F219 P245 I246 P249 F250 | N83-P215 WeakPolarHBondContact OD1-CD 3.48Å; P84-P215 HydrophobicContact CB-CB 4.24Å; P84-P215 HydrophobicContact CB-CG 4.24Å; P84-P215 HydrophobicContact CG-CB 4.1Å; F105-P215 HydrophobicContact CE2-CB 4.35Å; F105-P215 HydrophobicContact CZ-CB 4.17Å; P215-D218 PolarHBondContact O-N 3.26Å; P215-F219 WeakPolarHBondContact O-CB 3.46Å; P215-F219 PolarHBondContact O-N 2.82Å; P215-P245 WeakPolarHBondContact CA-O 3.46Å; P215-I246 WeakPolarHBondContact CG-O 3.5Å; P215-P249 HydrophobicContact CG-CB 3.97Å; P215-P249 HydrophobicContact CG-CG 4.23Å; P215-F250 HydrophobicContact CB-CE2 4.36Å; P215-F250 HydrophobicContact CB-CZ 4.4Å; P215-F250 HydrophobicContact CG-CD2 4.49Å; P215-F250 HydrophobicContact CG-CE2 3.9Å; P215-F250 HydrophobicContact CG-CZ 3.93Å |
| 216 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69.9 | -39.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P84 Q108 A112 N214 D218 G220 | P84-A216 HydrophobicContact CG-CB 3.71Å; Q108-A216 HydrophobicContact CB-CB 3.7Å; A112-A216 WeakPolarHBondContact CB-O 3.48Å; N214-A216 VanDerWaalsContact C-N 3.3Å; N214-A216 PolarHBondContact O-N 3.05Å; N214-A216 PolarHBondContact OD1-N 3.5Å; A216-D218 PolarHBondContact O-N 2.9Å; A216-G220 PolarHBondContact O-N 2.78Å |
| 217 | R | 98.4 | Very high | 97.3 | Very high | 16 Ų | 16 | 27 Ų | 27 | 6% | 0.06 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.4 | -23.9 | 178.6 | 175.6 | -93.1 | 177.3 | -85.3 | 9.5 | 113.1 | V36 F146 N214 P221 | V36-R217 HydrophobicContact CG2-CB 4.35Å; V36-R217 HydrophobicContact CG2-CG 4.17Å; F146-R217 PolarHBondContact O-NH1 3.4Å; N214-R217 HydrophobicContact CB-CB 3.74Å; N214-R217 VanDerWaalsContact CG-CB 3.49Å; N214-R217 PolarHBondContact O-N 3.27Å; N214-R217 PolarHBondContact OD1-N 3.17Å; N214-R217 VanDerWaalsContact OD1-N 3.09Å; R217-P221 WeakPolarHBondContact O-CD 3.49Å; R217-P221 WeakPolarHBondContact O-CG 3.41Å |
| 218 | D | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -95.9 | -50.6 | 174.1 | -170.4 | -90.1 | 0 | 0 | 0 | 112 | T148 A212 N214 P215 A216 P221 R222 P245 | T148-D218 WeakPolarHBondContact CB-OD2 3.3Å; T148-D218 PolarHBondContact N-OD2 3.37Å; T148-D218 PolarHBondContact OG1-OD2 3.19Å; A212-D218 HydrophobicContact CB-CB 4.42Å; N214-D218 PolarHBondContact O-N 3.41Å; P215-D218 PolarHBondContact O-N 3.26Å; A216-D218 PolarHBondContact O-N 2.9Å; D218-P221 WeakPolarHBondContact O-CD 3.41Å; D218-R222 VanDerWaalsContact CG-NH2 3.26Å; D218-R222 VanDerWaalsContact O-CB 3.24Å; D218-R222 WeakPolarHBondContact O-CB 3.43Å; D218-R222 PolarHBondContact O-N 3.24Å; D218-R222 VanDerWaalsContact O-N 3.08Å; D218-R222 IonicContact OD1-CZ 3.95Å; D218-R222 VanDerWaalsContact OD1-CZ 3.27Å; D218-R222 IonicContact OD1-NE 2.94Å; D218-R222 PolarHBondContact OD1-NE 3.5Å; D218-R222 IonicContact OD1-NH2 3.92Å; D218-R222 PolarHBondContact OD1-NH2 2.88Å; D218-R222 IonicContact OD2-NH2 3.92Å; D218-R222 PolarHBondContact OD2-NH2 3.25Å; D218-P245 HydrophobicContact CB-CB 3.87Å; D218-P245 HydrophobicContact CB-CG 4.07Å; D218-P245 VanDerWaalsContact CG-CG 3.43Å; D218-P245 VanDerWaalsContact OD1-CG 3.26Å; D218-P245 WeakPolarHBondContact OD1-CG 3.34Å |
| 219 | F | 98.6 | Very high | 97.1 | Very high | 55 Ų | 55 | 20.9 Ų | 20.9 | 24% | 0.241 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69 | -40.6 | -171.3 | -174.8 | -125 | 0 | 0 | 0 | 113.3 | T109 P215 R222 L223 F235 I246 | T109-F219 HydrophobicContact CG2-CD1 3.82Å; T109-F219 HydrophobicContact CG2-CE1 4.43Å; P215-F219 WeakPolarHBondContact O-CB 3.46Å; P215-F219 PolarHBondContact O-N 2.82Å; F219-R222 PolarHBondContact O-N 3.1Å; F219-L223 HydrophobicContact CD1-CD1 3.93Å; F219-L223 HydrophobicContact CD2-CG 4.32Å; F219-L223 HydrophobicContact CE1-CD1 3.55Å; F219-L223 HydrophobicContact CE1-CG 4.22Å; F219-L223 HydrophobicContact CE2-CD1 4.22Å; F219-L223 HydrophobicContact CE2-CD2 4.11Å; F219-L223 HydrophobicContact CE2-CG 3.98Å; F219-L223 HydrophobicContact CG-CD1 4.42Å; F219-L223 HydrophobicContact CZ-CD1 3.71Å; F219-L223 HydrophobicContact CZ-CD2 3.96Å; F219-L223 HydrophobicContact CZ-CG 3.92Å; F219-L223 WeakPolarHBondContact O-CG 3.41Å; F219-L223 PolarHBondContact O-N 3.29Å; F219-F235 HydrophobicContact CD2-CE1 4.4Å; F219-F235 HydrophobicContact CE2-CE1 4.03Å; F219-I246 HydrophobicContact CB-CD1 4.22Å; F219-I246 HydrophobicContact CB-CG1 4.24Å; F219-I246 HydrophobicContact CD2-CD1 3.6Å; F219-I246 HydrophobicContact CD2-CG1 4.5Å; F219-I246 HydrophobicContact CE2-CD1 4.15Å; F219-I246 HydrophobicContact CG-CD1 4Å |
| 220 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60 | -54 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A216 R222 L223 F224 | A216-G220 PolarHBondContact O-N 2.78Å; G220-R222 VanDerWaalsContact C-N 3.27Å; G220-R222 PolarHBondContact O-N 3.26Å; G220-L223 WeakPolarHBondContact O-CB 3.4Å; G220-L223 PolarHBondContact O-N 2.97Å; G220-F224 PolarHBondContact O-N 3.48Å |
| 221 | P | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.4 | -31 | 176 | -27.2 | 38.9 | 0 | 0 | 0 | 113.4 | V36 A112 A116 F146 R217 D218 F224 T225 | V36-P221 HydrophobicContact CG1-CG 3.72Å; A112-P221 HydrophobicContact CB-CG 4.39Å; A116-P221 HydrophobicContact CB-CB 3.71Å; A116-P221 HydrophobicContact CB-CG 4Å; F146-P221 HydrophobicContact CB-CB 3.9Å; F146-P221 VanDerWaalsContact O-CB 3.26Å; F146-P221 WeakPolarHBondContact O-CB 3.36Å; R217-P221 WeakPolarHBondContact O-CD 3.49Å; R217-P221 WeakPolarHBondContact O-CG 3.41Å; D218-P221 WeakPolarHBondContact O-CD 3.41Å; P221-F224 PolarHBondContact O-N 3.49Å; P221-T225 WeakPolarHBondContact O-CG2 3.48Å; P221-T225 PolarHBondContact O-N 2.94Å; P221-T225 PolarHBondContact O-OG1 3.11Å |
| 222 | R | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67 | -42.4 | 174.6 | -166.8 | -179.8 | -61.5 | -78.2 | -4.8 | 112.1 | A147 T148 Y149 D218 F219 G220 F224 T225 A226 V234 F235 | A147-R222 HydrophobicContact CB-CB 3.99Å; T148-R222 PolarHBondContact O-NH2 3.42Å; Y149-R222 VanDerWaalsContact CE1-NH1 3.3Å; Y149-R222 PolarHBondContact OH-NH1 3.29Å; D218-R222 VanDerWaalsContact CG-NH2 3.26Å; D218-R222 VanDerWaalsContact O-CB 3.24Å; D218-R222 WeakPolarHBondContact O-CB 3.43Å; D218-R222 PolarHBondContact O-N 3.24Å; D218-R222 VanDerWaalsContact O-N 3.08Å; D218-R222 IonicContact OD1-CZ 3.95Å; D218-R222 VanDerWaalsContact OD1-CZ 3.27Å; D218-R222 IonicContact OD1-NE 2.94Å; D218-R222 PolarHBondContact OD1-NE 3.5Å; D218-R222 IonicContact OD1-NH2 3.92Å; D218-R222 PolarHBondContact OD1-NH2 2.88Å; D218-R222 IonicContact OD2-NH2 3.92Å; D218-R222 PolarHBondContact OD2-NH2 3.25Å; F219-R222 PolarHBondContact O-N 3.1Å; G220-R222 VanDerWaalsContact C-N 3.27Å; G220-R222 PolarHBondContact O-N 3.26Å; R222-F224 VanDerWaalsContact C-N 3.31Å; R222-F224 PolarHBondContact O-N 3.33Å; R222-T225 WeakPolarHBondContact CA-OG1 3.44Å; R222-T225 PolarHBondContact O-N 2.96Å; R222-T225 PolarHBondContact O-OG1 3.49Å; R222-T225 VanDerWaalsContact O-OG1 3.04Å; R222-A226 WeakPolarHBondContact O-CB 3.2Å; R222-A226 PolarHBondContact O-N 2.99Å; R222-V234 HydrophobicContact CG-CB 3.97Å; R222-V234 HydrophobicContact CG-CG2 3.78Å; R222-V234 PolarHBondContact NH1-O 3.27Å; R222-F235 HydrophobicContact CB-CE1 4.43Å; R222-F235 HydrophobicContact CG-CD1 4.13Å; R222-F235 HydrophobicContact CG-CE1 3.7Å; R222-F235 HydrophobicContact CG-CZ 4.14Å |
| 223 | L | 98.4 | Very high | 97.2 | Very high | 65 Ų | 65 | 27.3 Ų | 27.3 | 34% | 0.34 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 171.8 | -74.9 | 169.2 | 0 | 0 | 0 | 111.5 | T109 F113 F219 G220 A226 F235 | T109-L223 HydrophobicContact CG2-CD1 4.32Å; F113-L223 HydrophobicContact CD2-CB 4.12Å; F113-L223 HydrophobicContact CE2-CB 4.46Å; F219-L223 HydrophobicContact CD1-CD1 3.93Å; F219-L223 HydrophobicContact CD2-CG 4.32Å; F219-L223 HydrophobicContact CE1-CD1 3.55Å; F219-L223 HydrophobicContact CE1-CG 4.22Å; F219-L223 HydrophobicContact CE2-CD1 4.22Å; F219-L223 HydrophobicContact CE2-CD2 4.11Å; F219-L223 HydrophobicContact CE2-CG 3.98Å; F219-L223 HydrophobicContact CG-CD1 4.42Å; F219-L223 HydrophobicContact CZ-CD1 3.71Å; F219-L223 HydrophobicContact CZ-CD2 3.96Å; F219-L223 HydrophobicContact CZ-CG 3.92Å; F219-L223 WeakPolarHBondContact O-CG 3.41Å; F219-L223 PolarHBondContact O-N 3.29Å; G220-L223 WeakPolarHBondContact O-CB 3.4Å; G220-L223 PolarHBondContact O-N 2.97Å; L223-A226 WeakPolarHBondContact O-CB 3.05Å; L223-A226 PolarHBondContact O-N 3.33Å; L223-F235 HydrophobicContact CD2-CZ 3.92Å; L223-F235 HydrophobicContact CG-CZ 4.45Å |
| 224 | F | 98.5 | Very high | 97.1 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -53 | 176.4 | 172 | -101 | 0 | 0 | 0 | 111.8 | F113 A116 S117 F120 G220 P221 R222 A226 I227 A228 | F113-F224 HydrophobicContact CD2-CB 3.63Å; F113-F224 HydrophobicContact CE1-CD2 4.29Å; F113-F224 VanDerWaalsContact CE2-CA 3.42Å; F113-F224 HydrophobicContact CE2-CB 3.66Å; F113-F224 HydrophobicContact CE2-CD2 4.18Å; F113-F224 HydrophobicContact CE2-CG 4.45Å; F113-F224 HydrophobicContact CG-CB 4.24Å; F113-F224 HydrophobicContact CZ-CB 4.28Å; F113-F224 AromaticContact CZ-CD2 3.95Å; F113-F224 HydrophobicContact CZ-CD2 3.95Å; A116-F224 HydrophobicContact CB-CB 4.4Å; A116-F224 HydrophobicContact CB-CD1 4.03Å; A116-F224 HydrophobicContact CB-CG 4.35Å; S117-F224 VanDerWaalsContact CB-CE2 3.45Å; F120-F224 HydrophobicContact CB-CE1 3.44Å; F120-F224 VanDerWaalsContact CB-CE1 3.44Å; F120-F224 HydrophobicContact CB-CZ 3.51Å; F120-F224 HydrophobicContact CD1-CE1 4.34Å; F120-F224 AromaticContact CD1-CZ 3.69Å; F120-F224 HydrophobicContact CD1-CZ 3.69Å; F120-F224 AromaticContact CD2-CE1 3.9Å; F120-F224 HydrophobicContact CD2-CE1 3.9Å; F120-F224 HydrophobicContact CD2-CZ 4.02Å; F120-F224 HydrophobicContact CE1-CZ 4.38Å; F120-F224 AromaticContact CG-CE1 3.65Å; F120-F224 HydrophobicContact CG-CE1 3.65Å; F120-F224 AromaticContact CG-CZ 3.48Å; F120-F224 HydrophobicContact CG-CZ 3.48Å; F120-F224 VanDerWaalsContact CG-CZ 3.48Å; G220-F224 PolarHBondContact O-N 3.48Å; P221-F224 PolarHBondContact O-N 3.49Å; R222-F224 VanDerWaalsContact C-N 3.31Å; R222-F224 PolarHBondContact O-N 3.33Å; F224-A226 PolarHBondContact O-N 2.89Å; F224-I227 WeakPolarHBondContact O-CG1 3.49Å; F224-I227 PolarHBondContact O-N 2.9Å; F224-I227 VanDerWaalsContact O-N 3.09Å; F224-A228 HydrophobicContact CD1-CB 4.22Å; F224-A228 HydrophobicContact CD2-CB 4.42Å; F224-A228 HydrophobicContact CE1-CB 3.67Å; F224-A228 HydrophobicContact CE2-CB 3.91Å; F224-A228 HydrophobicContact CZ-CB 3.5Å; F224-A228 VanDerWaalsContact CZ-CB 3.5Å; F224-A228 VanDerWaalsContact O-CB 3.23Å; F224-A228 WeakPolarHBondContact O-CB 3.46Å; F224-A228 PolarHBondContact O-N 3.3Å |
| 225 | T | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -33.4 | -179.1 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | F146 P221 R222 I227 A228 W230 | F146-T225 HydrophobicContact CB-CG2 3.66Å; F146-T225 HydrophobicContact CD2-CG2 3.45Å; F146-T225 VanDerWaalsContact CD2-CG2 3.45Å; F146-T225 HydrophobicContact CE2-CG2 4.26Å; F146-T225 HydrophobicContact CG-CG2 3.65Å; P221-T225 WeakPolarHBondContact O-CG2 3.48Å; P221-T225 PolarHBondContact O-N 2.94Å; P221-T225 PolarHBondContact O-OG1 3.11Å; R222-T225 WeakPolarHBondContact CA-OG1 3.44Å; R222-T225 PolarHBondContact O-N 2.96Å; R222-T225 PolarHBondContact O-OG1 3.49Å; R222-T225 VanDerWaalsContact O-OG1 3.04Å; T225-I227 PolarHBondContact O-N 3.46Å; T225-A228 PolarHBondContact O-N 3.25Å; T225-W230 HydrophobicContact CG2-CD2 4.24Å; T225-W230 HydrophobicContact CG2-CE3 3.96Å; T225-W230 HydrophobicContact CG2-CZ3 4.23Å; T225-W230 WeakPolarHBondContact O-CB 3.49Å; T225-W230 PolarHBondContact O-N 3.3Å |
| 226 | A | 97.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.2 | -36.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R222 L223 F224 G231 V234 F235 | R222-A226 WeakPolarHBondContact O-CB 3.2Å; R222-A226 PolarHBondContact O-N 2.99Å; L223-A226 WeakPolarHBondContact O-CB 3.05Å; L223-A226 PolarHBondContact O-N 3.33Å; F224-A226 PolarHBondContact O-N 2.89Å; A226-G231 WeakPolarHBondContact CA-O 3.42Å; A226-G231 CarbonylContact O-C 3.57Å; A226-G231 VanDerWaalsContact O-CA 3.3Å; A226-G231 WeakPolarHBondContact O-CA 3.23Å; A226-G231 PolarHBondContact O-N 3.1Å; A226-V234 HydrophobicContact CB-CG2 3.69Å; A226-F235 HydrophobicContact CB-CE2 3.61Å; A226-F235 HydrophobicContact CB-CZ 4.21Å |
| 227 | I | 97.3 | Very high | 96.4 | Very high | 134 Ų | 134 | 33.9 Ų | 33.9 | 69% | 0.687 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -98.1 | -16.4 | 180 | 66.2 | 170 | 0 | 0 | 0 | 113.3 | F113 F224 T225 | F113-I227 HydrophobicContact CE2-CD1 4.11Å; F113-I227 HydrophobicContact CZ-CD1 3.89Å; F224-I227 WeakPolarHBondContact O-CG1 3.49Å; F224-I227 PolarHBondContact O-N 2.9Å; F224-I227 VanDerWaalsContact O-N 3.09Å; T225-I227 PolarHBondContact O-N 3.46Å |
| 228 | A | 95.5 | Very high | 95.9 | Very high | 22 Ų | 22 | 38.9 Ų | 38.9 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -89.2 | 3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F120 F224 T225 W230 | F120-A228 HydrophobicContact CE2-CB 4.2Å; F120-A228 HydrophobicContact CZ-CB 4.35Å; F224-A228 HydrophobicContact CD1-CB 4.22Å; F224-A228 HydrophobicContact CD2-CB 4.42Å; F224-A228 HydrophobicContact CE1-CB 3.67Å; F224-A228 HydrophobicContact CE2-CB 3.91Å; F224-A228 HydrophobicContact CZ-CB 3.5Å; F224-A228 VanDerWaalsContact CZ-CB 3.5Å; F224-A228 VanDerWaalsContact O-CB 3.23Å; F224-A228 WeakPolarHBondContact O-CB 3.46Å; F224-A228 PolarHBondContact O-N 3.3Å; T225-A228 PolarHBondContact O-N 3.25Å; A228-W230 HydrophobicContact CB-CE3 4.42Å; A228-W230 HydrophobicContact CB-CZ3 4.28Å |
| 229 | G | 93.3 | Very high | 95.5 | Very high | 48 Ų | 48 | 45.7 Ų | 45.7 | 50% | 0.495 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 132.5 | -22.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G231 | G229-G231 VanDerWaalsContact C-N 3.26Å; G229-G231 PolarHBondContact O-N 3.32Å |
| 230 | W | 95.2 | Very high | 95.3 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 5% | 0.045 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -73.4 | -19.4 | 177.5 | -74.1 | -96.9 | 0 | 0 | 0 | 112.7 | F120 L127 F134 N135 L136 T142 A143 F146 T225 A228 V234 | F120-W230 AromaticContact CD2-CH2 3.95Å; F120-W230 HydrophobicContact CD2-CH2 3.95Å; F120-W230 AromaticContact CD2-CZ3 3.82Å; F120-W230 HydrophobicContact CD2-CZ3 3.82Å; F120-W230 AromaticContact CE2-CH2 3.95Å; F120-W230 HydrophobicContact CE2-CH2 3.95Å; F120-W230 AromaticContact CE2-CZ3 3.62Å; F120-W230 HydrophobicContact CE2-CZ3 3.62Å; L127-W230 HydrophobicContact CD1-CH2 4.47Å; L127-W230 HydrophobicContact CD2-CH2 4.37Å; L127-W230 HydrophobicContact CD2-CZ2 4.31Å; F134-W230 HydrophobicContact CB-CD2 4.22Å; F134-W230 HydrophobicContact CB-CG 4.36Å; F134-W230 AromaticContact CD1-CD2 3.89Å; F134-W230 HydrophobicContact CD1-CD2 3.89Å; F134-W230 AromaticContact CD1-CE2 3.84Å; F134-W230 AromaticContact CD1-CE3 3.67Å; F134-W230 HydrophobicContact CD1-CE3 3.67Å; F134-W230 AromaticContact CD1-CH2 3.38Å; F134-W230 HydrophobicContact CD1-CH2 3.38Å; F134-W230 AromaticContact CD1-CZ2 3.61Å; F134-W230 HydrophobicContact CD1-CZ2 3.61Å; F134-W230 AromaticContact CD1-CZ3 3.42Å; F134-W230 HydrophobicContact CD1-CZ3 3.42Å; F134-W230 VanDerWaalsContact CD1-CZ3 3.42Å; F134-W230 HydrophobicContact CE1-CE3 4.35Å; F134-W230 AromaticContact CE1-CH2 3.62Å; F134-W230 HydrophobicContact CE1-CH2 3.62Å; F134-W230 HydrophobicContact CE1-CZ2 4.24Å; F134-W230 AromaticContact CE1-CZ3 3.69Å; F134-W230 HydrophobicContact CE1-CZ3 3.69Å; F134-W230 HydrophobicContact CG-CE3 4.5Å; N135-W230 PolarHBondContact O-NE1 2.81Å; L136-W230 HydrophobicContact CD1-CB 3.91Å; L136-W230 HydrophobicContact CD1-CG 4.25Å; L136-W230 WeakPolarHBondContact CD1-O 3.22Å; T142-W230 PolarHBondContact OG1-NE1 3.24Å; T142-W230 VanDerWaalsContact OG1-NE1 3.1Å; A143-W230 HydrophobicContact CB-CG 4.3Å; A143-W230 VanDerWaalsContact N-NE1 3.17Å; F146-W230 HydrophobicContact CD2-CH2 4.29Å; F146-W230 HydrophobicContact CD2-CZ2 4.41Å; F146-W230 AromaticContact CE2-CH2 3.56Å; F146-W230 HydrophobicContact CE2-CH2 3.56Å; F146-W230 AromaticContact CE2-CZ2 3.92Å; F146-W230 HydrophobicContact CE2-CZ2 3.92Å; F146-W230 HydrophobicContact CE2-CZ3 4.26Å; F146-W230 HydrophobicContact CZ-CH2 4.36Å; T225-W230 HydrophobicContact CG2-CD2 4.24Å; T225-W230 HydrophobicContact CG2-CE3 3.96Å; T225-W230 HydrophobicContact CG2-CZ3 4.23Å; T225-W230 WeakPolarHBondContact O-CB 3.49Å; T225-W230 PolarHBondContact O-N 3.3Å; A228-W230 HydrophobicContact CB-CE3 4.42Å; A228-W230 HydrophobicContact CB-CZ3 4.28Å; W230-V234 HydrophobicContact CB-CG1 3.81Å |
| 231 | G | 95.3 | Very high | 95.1 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | trans | 73.2 | -177.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A226 G229 G233 V234 | A226-G231 WeakPolarHBondContact CA-O 3.42Å; A226-G231 CarbonylContact O-C 3.57Å; A226-G231 VanDerWaalsContact O-CA 3.3Å; A226-G231 WeakPolarHBondContact O-CA 3.23Å; A226-G231 PolarHBondContact O-N 3.1Å; G229-G231 VanDerWaalsContact C-N 3.26Å; G229-G231 PolarHBondContact O-N 3.32Å; G231-G233 PolarHBondContact O-N 3.5Å; G231-G233 VanDerWaalsContact O-N 3.1Å; G231-V234 PolarHBondContact O-N 2.9Å | ||
| 232 | T | 95.3 | Very high | 95 | Very high | 112 Ų | 112 | 46 Ų | 46 | 69% | 0.687 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.3 | -174.1 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | V234 F235 | T232-V234 PolarHBondContact O-N 3.42Å; T232-F235 PolarHBondContact O-N 2.86Å |
| 233 | G | 94.2 | Very high | 95 | Very high | 24 Ų | 24 | 49.9 Ų | 49.9 | 25% | 0.247 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56 | -22.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G231 F235 T236 A237 | G231-G233 PolarHBondContact O-N 3.5Å; G231-G233 VanDerWaalsContact O-N 3.1Å; G233-F235 PolarHBondContact O-N 2.86Å; G233-F235 VanDerWaalsContact O-N 3.13Å; G233-T236 PolarHBondContact O-N 2.89Å; G233-T236 PolarHBondContact O-OG1 3.48Å; G233-A237 WeakPolarHBondContact O-CB 3.48Å; G233-A237 PolarHBondContact O-N 2.62Å |
| 234 | V | 95.4 | Very high | 95 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -19.6 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 113.2 | L136 Y149 R222 A226 W230 G231 T232 | L136-V234 HydrophobicContact CD2-CB 4.21Å; L136-V234 HydrophobicContact CD2-CG1 3.62Å; L136-V234 HydrophobicContact CG-CG1 4.29Å; Y149-V234 WeakPolarHBondContact OH-CB 3.45Å; R222-V234 HydrophobicContact CG-CB 3.97Å; R222-V234 HydrophobicContact CG-CG2 3.78Å; R222-V234 PolarHBondContact NH1-O 3.27Å; A226-V234 HydrophobicContact CB-CG2 3.69Å; W230-V234 HydrophobicContact CB-CG1 3.81Å; G231-V234 PolarHBondContact O-N 2.9Å; T232-V234 PolarHBondContact O-N 3.42Å |
| 235 | F | 96.4 | Very high | 95 | Very high | 42 Ų | 42 | 46.2 Ų | 46.2 | 18% | 0.184 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -97.1 | -18 | 175.9 | -59.6 | -69.2 | 0 | 0 | 0 | 113.3 | F219 R222 L223 A226 T232 G233 G240 F242 | F219-F235 HydrophobicContact CD2-CE1 4.4Å; F219-F235 HydrophobicContact CE2-CE1 4.03Å; R222-F235 HydrophobicContact CB-CE1 4.43Å; R222-F235 HydrophobicContact CG-CD1 4.13Å; R222-F235 HydrophobicContact CG-CE1 3.7Å; R222-F235 HydrophobicContact CG-CZ 4.14Å; L223-F235 HydrophobicContact CD2-CZ 3.92Å; L223-F235 HydrophobicContact CG-CZ 4.45Å; A226-F235 HydrophobicContact CB-CE2 3.61Å; A226-F235 HydrophobicContact CB-CZ 4.21Å; T232-F235 PolarHBondContact O-N 2.86Å; G233-F235 PolarHBondContact O-N 2.86Å; G233-F235 VanDerWaalsContact O-N 3.13Å; F235-G240 WeakPolarHBondContact O-CA 3.31Å; F235-F242 HydrophobicContact CB-CD1 4.09Å; F235-F242 HydrophobicContact CB-CE1 4.16Å; F235-F242 HydrophobicContact CB-CG 4.42Å; F235-F242 HydrophobicContact CD1-CB 4.22Å; F235-F242 HydrophobicContact CD1-CD1 4.35Å; F235-F242 AromaticContact CD1-CD2 3.78Å; F235-F242 HydrophobicContact CD1-CD2 3.78Å; F235-F242 HydrophobicContact CD1-CE2 4.2Å; F235-F242 AromaticContact CD1-CG 3.85Å; F235-F242 HydrophobicContact CD1-CG 3.85Å; F235-F242 HydrophobicContact CE1-CD2 4.45Å; F235-F242 WeakPolarHBondContact O-CD1 3.4Å; F235-F242 WeakPolarHBondContact O-CE1 3.38Å |
| 236 | T | 93.8 | Very high | 94.9 | Very high | 103 Ų | 103 | 47 Ų | 47 | 63% | 0.632 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -104.7 | -13.8 | 179.6 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | G233 R238 D239 G240 | G233-T236 PolarHBondContact O-N 2.89Å; G233-T236 PolarHBondContact O-OG1 3.48Å; T236-R238 PolarHBondContact O-N 3.14Å; T236-D239 PolarHBondContact O-N 3.04Å; T236-G240 PolarHBondContact O-N 2.97Å |
| 237 | A | 90.1 | Very high | 95 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.1 | 135.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y149 G233 D239 G240 W241 | Y149-A237 HydrophobicContact CD1-CB 4.21Å; Y149-A237 HydrophobicContact CE1-CB 3.89Å; G233-A237 WeakPolarHBondContact O-CB 3.48Å; G233-A237 PolarHBondContact O-N 2.62Å; A237-D239 PolarHBondContact O-N 3.19Å; A237-G240 PolarHBondContact O-N 3.49Å; A237-W241 WeakPolarHBondContact O-CB 3.18Å; A237-W241 PolarHBondContact O-N 3.41Å |
| 238 | R | 88.4 | Confident | 95 | Very high | 121 Ų | 121 | 45.5 Ų | 45.5 | 46% | 0.457 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | 52.4 | 52.1 | 177.1 | -60.8 | -75.4 | -170.2 | -170 | -3 | 111.9 | P150 T236 G240 W241 | P150-R238 HydrophobicContact CG-CB 3.68Å; P150-R238 HydrophobicContact CG-CG 3.7Å; T236-R238 PolarHBondContact O-N 3.14Å; R238-G240 VanDerWaalsContact C-N 3.34Å; R238-G240 PolarHBondContact O-N 2.81Å; R238-W241 HydrophobicContact CB-CB 4.09Å; R238-W241 PolarHBondContact O-N 3.42Å |
| 239 | D | 89.5 | Confident | 95.2 | Very high | 143 Ų | 143 | 44.4 Ų | 44.4 | 77% | 0.765 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | 59.9 | 40.9 | 175.4 | -55.6 | -48.2 | 0 | 0 | 0 | 113.4 | I156 T236 A237 | I156-D239 HydrophobicContact CD1-CB 3.39Å; I156-D239 HydrophobicContact CG1-CB 4.49Å; T236-D239 PolarHBondContact O-N 3.04Å; A237-D239 PolarHBondContact O-N 3.19Å |
| 240 | G | 93.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 14% | 0.144 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | 79.2 | 37.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F235 T236 A237 R238 F242 L243 | F235-G240 WeakPolarHBondContact O-CA 3.31Å; T236-G240 PolarHBondContact O-N 2.97Å; A237-G240 PolarHBondContact O-N 3.49Å; R238-G240 VanDerWaalsContact C-N 3.34Å; R238-G240 PolarHBondContact O-N 2.81Å; G240-F242 WeakPolarHBondContact O-CD1 3.34Å; G240-F242 PolarHBondContact O-N 3.32Å; G240-L243 PolarHBondContact O-N 3.44Å; G240-L243 VanDerWaalsContact O-N 3.13Å |
| 241 | W | 96.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -33.8 | -176 | 173.6 | -104.5 | 0 | 0 | 0 | 114.2 | T148 P150 L154 A237 R238 L243 V244 P245 | T148-W241 VanDerWaalsContact O-CD1 3.23Å; T148-W241 PolarHBondContact O-NE1 2.97Å; P150-W241 HydrophobicContact CB-CD2 4.05Å; P150-W241 HydrophobicContact CB-CE3 3.81Å; P150-W241 HydrophobicContact CB-CH2 4.13Å; P150-W241 HydrophobicContact CB-CZ2 4.36Å; P150-W241 HydrophobicContact CB-CZ3 3.84Å; P150-W241 VanDerWaalsContact CD-CD2 3.48Å; P150-W241 VanDerWaalsContact CD-CG 3.46Å; P150-W241 HydrophobicContact CG-CB 4.43Å; P150-W241 HydrophobicContact CG-CD2 3.72Å; P150-W241 HydrophobicContact CG-CE3 3.68Å; P150-W241 HydrophobicContact CG-CG 4.04Å; P150-W241 HydrophobicContact CG-CZ3 4.24Å; L154-W241 HydrophobicContact CD2-CH2 4.2Å; L154-W241 HydrophobicContact CD2-CZ3 4.49Å; A237-W241 WeakPolarHBondContact O-CB 3.18Å; A237-W241 PolarHBondContact O-N 3.41Å; R238-W241 HydrophobicContact CB-CB 4.09Å; R238-W241 PolarHBondContact O-N 3.42Å; W241-L243 PolarHBondContact O-N 3.44Å; W241-V244 HydrophobicContact CD2-CB 4.25Å; W241-V244 HydrophobicContact CD2-CG2 4.4Å; W241-V244 HydrophobicContact CE3-CB 4.02Å; W241-V244 HydrophobicContact CE3-CG1 4.45Å; W241-V244 HydrophobicContact CE3-CG2 3.79Å; W241-V244 HydrophobicContact CH2-CB 4.07Å; W241-V244 HydrophobicContact CH2-CG1 3.67Å; W241-V244 HydrophobicContact CH2-CG2 4.47Å; W241-V244 HydrophobicContact CZ2-CB 4.28Å; W241-V244 HydrophobicContact CZ2-CG1 4.11Å; W241-V244 HydrophobicContact CZ3-CB 3.94Å; W241-V244 HydrophobicContact CZ3-CG1 3.87Å; W241-V244 HydrophobicContact CZ3-CG2 3.85Å; W241-V244 WeakPolarHBondContact O-CB 3.28Å; W241-V244 PolarHBondContact O-N 2.99Å; W241-P245 WeakPolarHBondContact O-CD 3.16Å |
| 242 | F | 96.6 | Very high | 95.7 | Very high | 47 Ų | 47 | 45 Ų | 45 | 21% | 0.206 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -24.8 | -178.7 | 82.1 | -74.4 | 0 | 0 | 0 | 114.6 | F235 G240 V244 P245 I246 | F235-F242 HydrophobicContact CB-CD1 4.09Å; F235-F242 HydrophobicContact CB-CE1 4.16Å; F235-F242 HydrophobicContact CB-CG 4.42Å; F235-F242 HydrophobicContact CD1-CB 4.22Å; F235-F242 HydrophobicContact CD1-CD1 4.35Å; F235-F242 AromaticContact CD1-CD2 3.78Å; F235-F242 HydrophobicContact CD1-CD2 3.78Å; F235-F242 HydrophobicContact CD1-CE2 4.2Å; F235-F242 AromaticContact CD1-CG 3.85Å; F235-F242 HydrophobicContact CD1-CG 3.85Å; F235-F242 HydrophobicContact CE1-CD2 4.45Å; F235-F242 WeakPolarHBondContact O-CD1 3.4Å; F235-F242 WeakPolarHBondContact O-CE1 3.38Å; G240-F242 WeakPolarHBondContact O-CD1 3.34Å; G240-F242 PolarHBondContact O-N 3.32Å; F242-V244 VanDerWaalsContact C-N 3.3Å; F242-V244 PolarHBondContact O-N 3.32Å; F242-P245 WeakPolarHBondContact O-CD 3.33Å; F242-I246 HydrophobicContact CD2-CD1 3.79Å; F242-I246 HydrophobicContact CE2-CD1 4.38Å; F242-I246 WeakPolarHBondContact O-CD1 3.4Å; F242-I246 VanDerWaalsContact O-CG1 3.25Å; F242-I246 WeakPolarHBondContact O-CG1 3.32Å |
| 243 | L | 97.5 | Very high | 95.9 | Very high | 80 Ų | 80 | 39.7 Ų | 39.7 | 42% | 0.419 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.2 | -34.2 | 175.9 | -64.5 | 171.5 | 0 | 0 | 0 | 111.7 | G240 W241 I246 F247 | G240-L243 PolarHBondContact O-N 3.44Å; G240-L243 VanDerWaalsContact O-N 3.13Å; W241-L243 PolarHBondContact O-N 3.44Å; L243-I246 PolarHBondContact O-N 2.67Å; L243-F247 HydrophobicContact CB-CD2 4.28Å; L243-F247 HydrophobicContact CD2-CD2 4.18Å; L243-F247 HydrophobicContact CD2-CE2 3.74Å; L243-F247 VanDerWaalsContact O-CD2 3.3Å; L243-F247 WeakPolarHBondContact O-CD2 3.35Å; L243-F247 PolarHBondContact O-N 3.37Å |
| 244 | V | 98 | Very high | 96.1 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.2 | -58.7 | -177.5 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | I156 F160 Q163 W241 F242 I246 F247 A248 P249 | I156-V244 HydrophobicContact CG2-CG2 3.99Å; F160-V244 HydrophobicContact CB-CG1 4.33Å; F160-V244 HydrophobicContact CD2-CG1 4.13Å; F160-V244 HydrophobicContact CD2-CG2 4.33Å; Q163-V244 HydrophobicContact CB-CG1 4.28Å; Q163-V244 HydrophobicContact CG-CG1 3.95Å; W241-V244 HydrophobicContact CD2-CB 4.25Å; W241-V244 HydrophobicContact CD2-CG2 4.4Å; W241-V244 HydrophobicContact CE3-CB 4.02Å; W241-V244 HydrophobicContact CE3-CG1 4.45Å; W241-V244 HydrophobicContact CE3-CG2 3.79Å; W241-V244 HydrophobicContact CH2-CB 4.07Å; W241-V244 HydrophobicContact CH2-CG1 3.67Å; W241-V244 HydrophobicContact CH2-CG2 4.47Å; W241-V244 HydrophobicContact CZ2-CB 4.28Å; W241-V244 HydrophobicContact CZ2-CG1 4.11Å; W241-V244 HydrophobicContact CZ3-CB 3.94Å; W241-V244 HydrophobicContact CZ3-CG1 3.87Å; W241-V244 HydrophobicContact CZ3-CG2 3.85Å; W241-V244 WeakPolarHBondContact O-CB 3.28Å; W241-V244 PolarHBondContact O-N 2.99Å; F242-V244 VanDerWaalsContact C-N 3.3Å; F242-V244 PolarHBondContact O-N 3.32Å; V244-I246 PolarHBondContact O-N 3.1Å; V244-I246 VanDerWaalsContact O-N 3.16Å; V244-F247 PolarHBondContact O-N 3.42Å; V244-A248 HydrophobicContact CG1-CB 4.17Å; V244-A248 WeakPolarHBondContact O-CB 3.3Å; V244-A248 PolarHBondContact O-N 3.4Å; V244-P249 WeakPolarHBondContact O-CD 3.44Å |
| 245 | P | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.5 | -9.5 | 179.2 | 31.1 | -36.3 | 0 | 0 | 0 | 113.6 | A212 P215 D218 W241 F242 P249 | A212-P245 HydrophobicContact CB-CB 3.5Å; P215-P245 WeakPolarHBondContact CA-O 3.46Å; D218-P245 HydrophobicContact CB-CB 3.87Å; D218-P245 HydrophobicContact CB-CG 4.07Å; D218-P245 VanDerWaalsContact CG-CG 3.43Å; D218-P245 VanDerWaalsContact OD1-CG 3.26Å; D218-P245 WeakPolarHBondContact OD1-CG 3.34Å; W241-P245 WeakPolarHBondContact O-CD 3.16Å; F242-P245 WeakPolarHBondContact O-CD 3.33Å; P245-P249 WeakPolarHBondContact O-CD 3.44Å; P245-P249 VanDerWaalsContact O-CG 3.28Å; P245-P249 WeakPolarHBondContact O-CG 3.39Å |
| 246 | I | 97.3 | Very high | 96.4 | Very high | 18 Ų | 18 | 42.8 Ų | 42.8 | 9% | 0.092 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -84.7 | -51.4 | 171.1 | -68.3 | 173.4 | 0 | 0 | 0 | 110.9 | P215 F219 F242 L243 V244 F250 | P215-I246 WeakPolarHBondContact CG-O 3.5Å; F219-I246 HydrophobicContact CB-CD1 4.22Å; F219-I246 HydrophobicContact CB-CG1 4.24Å; F219-I246 HydrophobicContact CD2-CD1 3.6Å; F219-I246 HydrophobicContact CD2-CG1 4.5Å; F219-I246 HydrophobicContact CE2-CD1 4.15Å; F219-I246 HydrophobicContact CG-CD1 4Å; F242-I246 HydrophobicContact CD2-CD1 3.79Å; F242-I246 HydrophobicContact CE2-CD1 4.38Å; F242-I246 WeakPolarHBondContact O-CD1 3.4Å; F242-I246 VanDerWaalsContact O-CG1 3.25Å; F242-I246 WeakPolarHBondContact O-CG1 3.32Å; L243-I246 PolarHBondContact O-N 2.67Å; V244-I246 PolarHBondContact O-N 3.1Å; V244-I246 VanDerWaalsContact O-N 3.16Å; I246-F250 WeakPolarHBondContact O-CD2 3.33Å; I246-F250 WeakPolarHBondContact O-CE2 3.28Å |
| 247 | F | 98.1 | Very high | 96.6 | Very high | 120 Ų | 120 | 38.2 Ų | 38.2 | 53% | 0.526 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -95.9 | -37.9 | -168.9 | -68.3 | -69.8 | 0 | 0 | 0 | 114.2 | L243 V244 P249 F250 L251 | L243-F247 HydrophobicContact CB-CD2 4.28Å; L243-F247 HydrophobicContact CD2-CD2 4.18Å; L243-F247 HydrophobicContact CD2-CE2 3.74Å; L243-F247 VanDerWaalsContact O-CD2 3.3Å; L243-F247 WeakPolarHBondContact O-CD2 3.35Å; L243-F247 PolarHBondContact O-N 3.37Å; V244-F247 PolarHBondContact O-N 3.42Å; F247-P249 VanDerWaalsContact C-N 3.34Å; F247-F250 PolarHBondContact O-N 3.27Å; F247-F250 VanDerWaalsContact O-N 3.14Å; F247-L251 PolarHBondContact O-N 3.04Å |
| 248 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.7 | -39.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F160 Q163 I164 V244 F250 L251 G252 | F160-A248 HydrophobicContact CD2-CB 3.63Å; F160-A248 HydrophobicContact CE2-CB 3.61Å; F160-A248 HydrophobicContact CG-CB 4.08Å; F160-A248 HydrophobicContact CZ-CB 4.08Å; Q163-A248 HydrophobicContact CB-CB 3.58Å; I164-A248 HydrophobicContact CG1-CB 4.21Å; V244-A248 HydrophobicContact CG1-CB 4.17Å; V244-A248 WeakPolarHBondContact O-CB 3.3Å; V244-A248 PolarHBondContact O-N 3.4Å; A248-F250 VanDerWaalsContact C-N 3.3Å; A248-F250 PolarHBondContact O-N 3.32Å; A248-L251 PolarHBondContact O-N 3.2Å; A248-G252 PolarHBondContact O-N 3.08Å |
| 249 | P | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -32.8 | 176.4 | -29.8 | 40.2 | 0 | 0 | 0 | 114.5 | A85 T167 P215 V244 P245 F247 G252 A253 | A85-P249 HydrophobicContact CB-CB 3.99Å; T167-P249 HydrophobicContact CG2-CB 3.86Å; T167-P249 VanDerWaalsContact CG2-O 3.24Å; T167-P249 WeakPolarHBondContact CG2-O 3.39Å; T167-P249 WeakPolarHBondContact OG1-CA 3.46Å; T167-P249 WeakPolarHBondContact OG1-CB 3.36Å; P215-P249 HydrophobicContact CG-CB 3.97Å; P215-P249 HydrophobicContact CG-CG 4.23Å; V244-P249 WeakPolarHBondContact O-CD 3.44Å; P245-P249 WeakPolarHBondContact O-CD 3.44Å; P245-P249 VanDerWaalsContact O-CG 3.28Å; P245-P249 WeakPolarHBondContact O-CG 3.39Å; F247-P249 VanDerWaalsContact C-N 3.34Å; P249-G252 PolarHBondContact O-N 3.11Å; P249-A253 WeakPolarHBondContact O-CB 3.37Å; P249-A253 PolarHBondContact O-N 2.77Å |
| 250 | F | 98.7 | Very high | 97.9 | Very high | 32 Ų | 32 | 33.3 Ų | 33.3 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68 | -39.3 | 176.7 | -68.2 | -63.5 | 0 | 0 | 0 | 111.9 | P84 F88 F101 F105 P215 I246 F247 A248 A253 I254 | P84-F250 HydrophobicContact CB-CE1 4.04Å; P84-F250 HydrophobicContact CB-CZ 3.84Å; F88-F250 HydrophobicContact CB-CD1 3.9Å; F88-F250 HydrophobicContact CB-CE1 3.98Å; F88-F250 HydrophobicContact CD1-CD1 4.02Å; F88-F250 HydrophobicContact CD2-CD1 4.25Å; F88-F250 AromaticContact CG-CD1 3.81Å; F88-F250 HydrophobicContact CG-CD1 3.81Å; F88-F250 HydrophobicContact CG-CE1 4.23Å; F101-F250 HydrophobicContact CE2-CE1 4Å; F101-F250 AromaticContact CZ-CE1 3.76Å; F101-F250 HydrophobicContact CZ-CE1 3.76Å; F101-F250 HydrophobicContact CZ-CZ 4.03Å; F105-F250 HydrophobicContact CD1-CZ 4.3Å; F105-F250 HydrophobicContact CE1-CE2 4.21Å; F105-F250 AromaticContact CE1-CZ 3.76Å; F105-F250 HydrophobicContact CE1-CZ 3.76Å; F105-F250 HydrophobicContact CZ-CZ 4.36Å; P215-F250 HydrophobicContact CB-CE2 4.36Å; P215-F250 HydrophobicContact CB-CZ 4.4Å; P215-F250 HydrophobicContact CG-CD2 4.49Å; P215-F250 HydrophobicContact CG-CE2 3.9Å; P215-F250 HydrophobicContact CG-CZ 3.93Å; I246-F250 WeakPolarHBondContact O-CD2 3.33Å; I246-F250 WeakPolarHBondContact O-CE2 3.28Å; F247-F250 PolarHBondContact O-N 3.27Å; F247-F250 VanDerWaalsContact O-N 3.14Å; A248-F250 VanDerWaalsContact C-N 3.3Å; A248-F250 PolarHBondContact O-N 3.32Å; F250-A253 WeakPolarHBondContact O-CB 3.42Å; F250-A253 PolarHBondContact O-N 3.33Å; F250-I254 WeakPolarHBondContact O-CG1 3.4Å; F250-I254 PolarHBondContact O-N 2.93Å |
| 251 | L | 98.6 | Very high | 98 | Very high | 70 Ų | 70 | 33.3 Ų | 33.3 | 37% | 0.366 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.1 | -41.5 | 174.1 | -176.4 | 56.5 | 0 | 0 | 0 | 111.3 | F160 I164 F247 A248 A253 I254 I255 | F160-L251 HydrophobicContact CE1-CD2 4.1Å; I164-L251 HydrophobicContact CD1-CD2 3.68Å; I164-L251 HydrophobicContact CD1-CG 4.21Å; I164-L251 HydrophobicContact CG1-CB 4.31Å; I164-L251 HydrophobicContact CG1-CD2 4.3Å; I164-L251 HydrophobicContact CG1-CG 4.35Å; F247-L251 PolarHBondContact O-N 3.04Å; A248-L251 PolarHBondContact O-N 3.2Å; L251-A253 VanDerWaalsContact C-N 3.27Å; L251-A253 PolarHBondContact O-N 3.3Å; L251-I254 PolarHBondContact O-N 2.95Å; L251-I255 HydrophobicContact CD1-CD1 4.26Å; L251-I255 HydrophobicContact CG-CD1 4.08Å; L251-I255 WeakPolarHBondContact O-CG1 3.36Å; L251-I255 PolarHBondContact O-N 3.31Å |
| 252 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.2 | -38.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I164 A168 A248 P249 I255 G256 | I164-G252 WeakPolarHBondContact O-CA 3.05Å; A168-G252 VanDerWaalsContact CA-O 3.25Å; A168-G252 WeakPolarHBondContact CA-O 3.34Å; A168-G252 WeakPolarHBondContact CB-O 3.29Å; A248-G252 PolarHBondContact O-N 3.08Å; P249-G252 PolarHBondContact O-N 3.11Å; G252-I255 PolarHBondContact O-N 3.17Å; G252-G256 PolarHBondContact O-N 3.2Å |
| 253 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.2 | -45 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | A85 F88 I171 P249 F250 L251 I255 G256 T257 | A85-A253 HydrophobicContact CB-CB 4.26Å; F88-A253 HydrophobicContact CD1-CB 4.37Å; I171-A253 HydrophobicContact CD1-CB 4.44Å; I171-A253 HydrophobicContact CG1-CB 4.08Å; P249-A253 WeakPolarHBondContact O-CB 3.37Å; P249-A253 PolarHBondContact O-N 2.77Å; F250-A253 WeakPolarHBondContact O-CB 3.42Å; F250-A253 PolarHBondContact O-N 3.33Å; L251-A253 VanDerWaalsContact C-N 3.27Å; L251-A253 PolarHBondContact O-N 3.3Å; A253-I255 VanDerWaalsContact C-N 3.34Å; A253-I255 PolarHBondContact O-N 3.23Å; A253-G256 PolarHBondContact O-N 2.79Å; A253-T257 WeakPolarHBondContact O-CB 3.45Å; A253-T257 PolarHBondContact O-N 3.37Å; A253-T257 PolarHBondContact O-OG1 3.2Å |
| 254 | I | 98.8 | Very high | 97.9 | Very high | 63 Ų | 63 | 41.1 Ų | 41.1 | 32% | 0.323 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -56.3 | -51.2 | 174.5 | -64.8 | 166 | 0 | 0 | 0 | 110.2 | F88 L92 F250 L251 T257 M258 | F88-I254 HydrophobicContact CE1-CD1 4.15Å; F88-I254 HydrophobicContact CE1-CG1 3.76Å; L92-I254 HydrophobicContact CD1-CG1 3.91Å; F250-I254 WeakPolarHBondContact O-CG1 3.4Å; F250-I254 PolarHBondContact O-N 2.93Å; L251-I254 PolarHBondContact O-N 2.95Å; I254-T257 PolarHBondContact O-N 3.41Å; I254-M258 HydrophobicContact CG2-SD 4.01Å; I254-M258 WeakPolarHBondContact O-CG 3.34Å; I254-M258 PolarHBondContact O-N 3.3Å |
| 255 | I | 98.6 | Very high | 97.6 | Very high | 68 Ų | 68 | 40.9 Ų | 40.9 | 35% | 0.349 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.4 | -48.5 | -178.1 | -67.1 | 166.9 | 0 | 0 | 0 | 110.5 | I164 A168 L251 G252 A253 T257 M258 V259 | I164-I255 HydrophobicContact CG2-CD1 3.72Å; A168-I255 HydrophobicContact CB-CG2 4.34Å; L251-I255 HydrophobicContact CD1-CD1 4.26Å; L251-I255 HydrophobicContact CG-CD1 4.08Å; L251-I255 WeakPolarHBondContact O-CG1 3.36Å; L251-I255 PolarHBondContact O-N 3.31Å; G252-I255 PolarHBondContact O-N 3.17Å; A253-I255 VanDerWaalsContact C-N 3.34Å; A253-I255 PolarHBondContact O-N 3.23Å; I255-T257 VanDerWaalsContact C-N 3.35Å; I255-T257 PolarHBondContact O-N 2.95Å; I255-M258 PolarHBondContact O-N 3.49Å; I255-V259 HydrophobicContact CG2-CG2 4.16Å; I255-V259 WeakPolarHBondContact O-CB 3.48Å; I255-V259 VanDerWaalsContact O-CG2 3.24Å; I255-V259 WeakPolarHBondContact O-CG2 3.36Å; I255-V259 PolarHBondContact O-N 3.25Å |
| 256 | G | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V172 G252 A253 V259 Y260 | V172-G256 WeakPolarHBondContact CG2-O 3.47Å; G252-G256 PolarHBondContact O-N 3.2Å; A253-G256 PolarHBondContact O-N 2.79Å; G256-V259 PolarHBondContact O-N 3.41Å; G256-Y260 WeakPolarHBondContact O-CB 3.45Å; G256-Y260 PolarHBondContact O-N 3.39Å |
| 257 | T | 98.4 | Very high | 97 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 174.8 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | S89 L93 L175 A253 I254 I255 Y260 Q261 | S89-T257 WeakPolarHBondContact CB-OG1 3.49Å; S89-T257 PolarHBondContact OG-OG1 3.23Å; L93-T257 HydrophobicContact CD1-CG2 4.1Å; L93-T257 HydrophobicContact CD2-CG2 3.48Å; L93-T257 VanDerWaalsContact CD2-CG2 3.48Å; L93-T257 HydrophobicContact CG-CG2 3.63Å; L175-T257 HydrophobicContact CD1-CG2 4.31Å; A253-T257 WeakPolarHBondContact O-CB 3.45Å; A253-T257 PolarHBondContact O-N 3.37Å; A253-T257 PolarHBondContact O-OG1 3.2Å; I254-T257 PolarHBondContact O-N 3.41Å; I255-T257 VanDerWaalsContact C-N 3.35Å; I255-T257 PolarHBondContact O-N 2.95Å; T257-Y260 PolarHBondContact O-N 3.45Å; T257-Q261 HydrophobicContact CG2-CG 4.47Å; T257-Q261 WeakPolarHBondContact O-CB 3.36Å; T257-Q261 VanDerWaalsContact O-CG 3.28Å; T257-Q261 WeakPolarHBondContact O-CG 3.45Å; T257-Q261 PolarHBondContact O-N 3.5Å |
| 258 | M | 98.1 | Very high | 96.6 | Very high | 111 Ų | 111 | 47.4 Ų | 47.4 | 55% | 0.547 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 178.9 | -72.5 | 179.6 | 69.4 | 0 | 0 | 111.9 | I254 I255 Q261 L262 | I254-M258 HydrophobicContact CG2-SD 4.01Å; I254-M258 WeakPolarHBondContact O-CG 3.34Å; I254-M258 PolarHBondContact O-N 3.3Å; I255-M258 PolarHBondContact O-N 3.49Å; M258-Q261 PolarHBondContact O-N 3.23Å; M258-L262 WeakPolarHBondContact O-CB 3.49Å; M258-L262 VanDerWaalsContact O-CG 3.26Å; M258-L262 WeakPolarHBondContact O-CG 3.26Å; M258-L262 PolarHBondContact O-N 3.24Å |
| 259 | V | 98.3 | Very high | 95.8 | Very high | 58 Ų | 58 | 50.4 Ų | 50.4 | 35% | 0.352 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 178.5 | 167.1 | 0 | 0 | 0 | 0 | 110.6 | V172 I255 G256 Q261 M263 | V172-V259 HydrophobicContact CG2-CB 4.31Å; V172-V259 HydrophobicContact CG2-CG1 4.08Å; I255-V259 HydrophobicContact CG2-CG2 4.16Å; I255-V259 WeakPolarHBondContact O-CB 3.48Å; I255-V259 VanDerWaalsContact O-CG2 3.24Å; I255-V259 WeakPolarHBondContact O-CG2 3.36Å; I255-V259 PolarHBondContact O-N 3.25Å; G256-V259 PolarHBondContact O-N 3.41Å; V259-Q261 PolarHBondContact O-N 2.98Å; V259-M263 HydrophobicContact CG1-SD 3.78Å; V259-M263 VanDerWaalsContact O-CB 3.28Å; V259-M263 WeakPolarHBondContact O-CB 3.13Å; V259-M263 WeakPolarHBondContact O-CG 3.5Å; V259-M263 PolarHBondContact O-N 2.99Å |
| 260 | Y | 97.8 | Very high | 95 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 179.3 | -178.2 | -99.7 | 0 | 0 | 0 | 112.1 | V172 L175 A176 D179 G256 T257 V264 G265 | V172-Y260 HydrophobicContact CG1-CD2 4.34Å; L175-Y260 HydrophobicContact CB-CD1 3.48Å; L175-Y260 VanDerWaalsContact CB-CD1 3.48Å; L175-Y260 HydrophobicContact CB-CD2 4.11Å; L175-Y260 HydrophobicContact CB-CE1 3.75Å; L175-Y260 HydrophobicContact CB-CE2 4.37Å; L175-Y260 HydrophobicContact CB-CG 3.67Å; L175-Y260 HydrophobicContact CD1-CD1 3.87Å; L175-Y260 HydrophobicContact CD1-CG 4.05Å; L175-Y260 HydrophobicContact CG-CD1 4.29Å; A176-Y260 VanDerWaalsContact CA-CE2 3.48Å; A176-Y260 HydrophobicContact CB-CD2 4.4Å; A176-Y260 HydrophobicContact CB-CE2 3.68Å; D179-Y260 HydrophobicContact CB-CE1 4.47Å; D179-Y260 WeakPolarHBondContact CB-OH 3.42Å; D179-Y260 PolarHBondContact OD2-OH 2.8Å; G256-Y260 WeakPolarHBondContact O-CB 3.45Å; G256-Y260 PolarHBondContact O-N 3.39Å; T257-Y260 PolarHBondContact O-N 3.45Å; Y260-V264 HydrophobicContact CD2-CB 4.16Å; Y260-V264 HydrophobicContact CE2-CB 3.86Å; Y260-V264 HydrophobicContact CE2-CG1 3.83Å; Y260-V264 HydrophobicContact CE2-CG2 4.41Å; Y260-V264 CarbonylContact O-C 3.56Å; Y260-V264 WeakPolarHBondContact O-CA 3.26Å; Y260-V264 PolarHBondContact O-N 2.97Å; Y260-G265 PolarHBondContact O-N 3.26Å |
| 261 | Q | 96 | Very high | 94.2 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -63.9 | -48.2 | -178.2 | -72.3 | -62.2 | -28 | 0 | 0 | 112.1 | L93 T257 M258 V259 M263 G265 F266 | L93-Q261 HydrophobicContact CD2-CG 3.66Å; T257-Q261 HydrophobicContact CG2-CG 4.47Å; T257-Q261 WeakPolarHBondContact O-CB 3.36Å; T257-Q261 VanDerWaalsContact O-CG 3.28Å; T257-Q261 WeakPolarHBondContact O-CG 3.45Å; T257-Q261 PolarHBondContact O-N 3.5Å; M258-Q261 PolarHBondContact O-N 3.23Å; V259-Q261 PolarHBondContact O-N 2.98Å; Q261-M263 PolarHBondContact O-N 3.46Å; Q261-G265 PolarHBondContact O-N 3.42Å; Q261-F266 HydrophobicContact CB-CD1 4.45Å; Q261-F266 HydrophobicContact CB-CD2 4.5Å; Q261-F266 HydrophobicContact CB-CE1 4.07Å; Q261-F266 HydrophobicContact CB-CE2 4.12Å; Q261-F266 HydrophobicContact CB-CZ 3.9Å; Q261-F266 HydrophobicContact CG-CE1 4.48Å; Q261-F266 WeakPolarHBondContact O-CB 3.47Å; Q261-F266 WeakPolarHBondContact O-CD2 3.36Å; Q261-F266 VanDerWaalsContact O-CG 3.26Å; Q261-F266 WeakPolarHBondContact O-CG 3.38Å; Q261-F266 PolarHBondContact O-N 3.47Å; Q261-F266 VanDerWaalsContact OE1-CE1 3.26Å |
| 262 | L | 96.6 | Very high | 93.4 | Very high | 103 Ų | 103 | 52.7 Ų | 52.7 | 54% | 0.539 | 27% | 0.269 | S | S | . | . | I | π-helix | trans | -67.9 | -35.6 | -178.2 | -68.6 | 171.8 | 0 | 0 | 0 | 112.8 | M258 F266 H267 | M258-L262 WeakPolarHBondContact O-CB 3.49Å; M258-L262 VanDerWaalsContact O-CG 3.26Å; M258-L262 WeakPolarHBondContact O-CG 3.26Å; M258-L262 PolarHBondContact O-N 3.24Å; L262-F266 HydrophobicContact CD2-CD2 4.18Å; L262-F266 HydrophobicContact CD2-CE2 3.95Å; L262-H267 PolarHBondContact O-CE1 3.01Å; L262-H267 PolarHBondContact O-ND1 3.42Å |
| 263 | M | 96.6 | Very high | 92.7 | Very high | 139 Ų | 139 | 60.1 Ų | 60.1 | 69% | 0.685 | 30% | 0.297 | S | S | * | . | I | π-helix | trans | -95.7 | -26.4 | -173.2 | -61.7 | -178.7 | 67.2 | 0 | 0 | 113.9 | V259 Q261 | V259-M263 HydrophobicContact CG1-SD 3.78Å; V259-M263 VanDerWaalsContact O-CB 3.28Å; V259-M263 WeakPolarHBondContact O-CB 3.13Å; V259-M263 WeakPolarHBondContact O-CG 3.5Å; V259-M263 PolarHBondContact O-N 2.99Å; Q261-M263 PolarHBondContact O-N 3.46Å |
| 264 | V | 95.3 | Very high | 92.2 | Very high | 50 Ų | 50 | 64.8 Ų | 64.8 | 30% | 0.303 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -130.9 | -60.8 | -174.4 | -177.9 | 0 | 0 | 0 | 0 | 111 | Y260 F266 H267 V268 | Y260-V264 HydrophobicContact CD2-CB 4.16Å; Y260-V264 HydrophobicContact CE2-CB 3.86Å; Y260-V264 HydrophobicContact CE2-CG1 3.83Å; Y260-V264 HydrophobicContact CE2-CG2 4.41Å; Y260-V264 CarbonylContact O-C 3.56Å; Y260-V264 WeakPolarHBondContact O-CA 3.26Å; Y260-V264 PolarHBondContact O-N 2.97Å; V264-F266 PolarHBondContact O-N 3.45Å; V264-H267 PolarHBondContact O-N 3.21Å; V264-V268 HydrophobicContact CG1-CG2 4.16Å; V264-V268 PolarHBondContact O-N 3.04Å; V264-V268 VanDerWaalsContact O-N 3.08Å |
| 265 | G | 91.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -51.7 | -55.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y260 Q261 H267 V268 E269 | Y260-G265 PolarHBondContact O-N 3.26Å; Q261-G265 PolarHBondContact O-N 3.42Å; G265-H267 VanDerWaalsContact C-N 3.25Å; G265-H267 PolarHBondContact O-N 3.36Å; G265-V268 PolarHBondContact O-N 2.88Å; G265-E269 VanDerWaalsContact O-CB 3.31Å; G265-E269 WeakPolarHBondContact O-CB 3.36Å; G265-E269 WeakPolarHBondContact O-CG 3.09Å; G265-E269 PolarHBondContact O-N 3.48Å |
| 266 | F | 92.3 | Very high | 91 | Very high | 117 Ų | 117 | 70.4 Ų | 70.4 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.4 | -26.8 | -178.5 | -65.1 | -24.3 | 0 | 0 | 0 | 114.3 | Q261 L262 V264 G270 | Q261-F266 HydrophobicContact CB-CD1 4.45Å; Q261-F266 HydrophobicContact CB-CD2 4.5Å; Q261-F266 HydrophobicContact CB-CE1 4.07Å; Q261-F266 HydrophobicContact CB-CE2 4.12Å; Q261-F266 HydrophobicContact CB-CZ 3.9Å; Q261-F266 HydrophobicContact CG-CE1 4.48Å; Q261-F266 WeakPolarHBondContact O-CB 3.47Å; Q261-F266 WeakPolarHBondContact O-CD2 3.36Å; Q261-F266 VanDerWaalsContact O-CG 3.26Å; Q261-F266 WeakPolarHBondContact O-CG 3.38Å; Q261-F266 PolarHBondContact O-N 3.47Å; Q261-F266 VanDerWaalsContact OE1-CE1 3.26Å; L262-F266 HydrophobicContact CD2-CD2 4.18Å; L262-F266 HydrophobicContact CD2-CE2 3.95Å; V264-F266 PolarHBondContact O-N 3.45Å; F266-G270 PolarHBondContact O-N 2.83Å; F266-G270 VanDerWaalsContact O-N 3.09Å |
| 267 | H | 91 | Very high | 90.5 | Very high | 122 Ų | 122 | 75 Ų | 75 | 57% | 0.565 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -76.4 | -42.6 | 178.8 | -66.7 | 82.7 | 0 | 0 | 0 | 110.8 | L262 V264 G265 E271 | L262-H267 PolarHBondContact O-CE1 3.01Å; L262-H267 PolarHBondContact O-ND1 3.42Å; V264-H267 PolarHBondContact O-N 3.21Å; G265-H267 VanDerWaalsContact C-N 3.25Å; G265-H267 PolarHBondContact O-N 3.36Å; H267-E271 PolarHBondContact O-N 3.47Å |
| 268 | V | 88.6 | Confident | 90.1 | Very high | 36 Ų | 36 | 80.5 Ų | 80.5 | 22% | 0.218 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -75.3 | -44.6 | -179.9 | -175 | 0 | 0 | 0 | 0 | 111.2 | Y181 V264 G265 G270 E271 V272 | Y181-V268 VanDerWaalsContact CB-CG1 3.48Å; Y181-V268 WeakPolarHBondContact O-CG1 3.06Å; V264-V268 HydrophobicContact CG1-CG2 4.16Å; V264-V268 PolarHBondContact O-N 3.04Å; V264-V268 VanDerWaalsContact O-N 3.08Å; G265-V268 PolarHBondContact O-N 2.88Å; V268-G270 VanDerWaalsContact C-N 3.26Å; V268-G270 PolarHBondContact O-N 3.32Å; V268-E271 PolarHBondContact O-N 3.39Å; V268-V272 WeakPolarHBondContact O-CG2 3.36Å; V268-V272 PolarHBondContact O-N 3.11Å |
| 269 | E | 83.1 | Confident | 89.6 | Confident | 63 Ų | 63 | 81.6 Ų | 81.6 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.6 | -36.4 | 174.9 | -70.5 | 179 | 179.6 | 0 | 0 | 111.5 | R95 Y181 G265 V272 R273 | R95-E269 IonicContact NH2-OE1 3.02Å; Y181-E269 HydrophobicContact CD2-CG 3.78Å; Y181-E269 HydrophobicContact CE2-CG 4.04Å; G265-E269 VanDerWaalsContact O-CB 3.31Å; G265-E269 WeakPolarHBondContact O-CB 3.36Å; G265-E269 WeakPolarHBondContact O-CG 3.09Å; G265-E269 PolarHBondContact O-N 3.48Å; E269-V272 PolarHBondContact O-N 2.98Å; E269-R273 PolarHBondContact O-N 2.86Å |
| 270 | G | 79.9 | Confident | 89.2 | Confident | 15 Ų | 15 | 83 Ų | 83 | 16% | 0.155 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | F266 V268 V272 R273 E274 | F266-G270 PolarHBondContact O-N 2.83Å; F266-G270 VanDerWaalsContact O-N 3.09Å; V268-G270 VanDerWaalsContact C-N 3.26Å; V268-G270 PolarHBondContact O-N 3.32Å; G270-V272 VanDerWaalsContact C-N 3.28Å; G270-V272 PolarHBondContact O-N 3Å; G270-R273 PolarHBondContact O-N 3.16Å; G270-E274 WeakPolarHBondContact O-CG 3.49Å; G270-E274 PolarHBondContact O-N 3.31Å |
| 271 | E | 82.9 | Confident | 88.8 | Confident | 103 Ų | 103 | 88.7 Ų | 88.7 | 48% | 0.481 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.6 | -39.4 | 177.1 | -77.2 | -166.1 | -163 | 0 | 0 | 112.7 | H267 V268 R275 | H267-E271 PolarHBondContact O-N 3.47Å; V268-E271 PolarHBondContact O-N 3.39Å; E271-R275 VanDerWaalsContact O-CG 3.26Å; E271-R275 WeakPolarHBondContact O-CG 3.33Å; E271-R275 PolarHBondContact O-N 3.05Å; E271-R275 IonicContact OE2-CZ 2.74Å; E271-R275 IonicContact OE2-NH2 2.94Å; E271-R275 PolarHBondContact OE2-NH2 3.21Å |
| 272 | V | 82.5 | Confident | 88.4 | Confident | 32 Ų | 32 | 93.6 Ų | 93.6 | 19% | 0.194 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.3 | -46 | 178.5 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | Y181 V268 E269 G270 E274 R275 E276 | Y181-V272 HydrophobicContact CD1-CB 4.24Å; Y181-V272 HydrophobicContact CD1-CG1 4.06Å; Y181-V272 HydrophobicContact CD1-CG2 3.61Å; Y181-V272 HydrophobicContact CE1-CB 4.31Å; Y181-V272 HydrophobicContact CE1-CG1 3.73Å; Y181-V272 HydrophobicContact CE1-CG2 4.16Å; Y181-V272 HydrophobicContact CG-CG2 4.05Å; V268-V272 WeakPolarHBondContact O-CG2 3.36Å; V268-V272 PolarHBondContact O-N 3.11Å; E269-V272 PolarHBondContact O-N 2.98Å; G270-V272 VanDerWaalsContact C-N 3.28Å; G270-V272 PolarHBondContact O-N 3Å; V272-E274 VanDerWaalsContact C-N 3.34Å; V272-E274 PolarHBondContact O-N 3.49Å; V272-R275 PolarHBondContact O-N 3.12Å; V272-R275 VanDerWaalsContact O-N 3.11Å; V272-E276 HydrophobicContact CG1-CG 4.48Å; V272-E276 WeakPolarHBondContact O-CG 3.43Å; V272-E276 PolarHBondContact O-N 2.85Å |
| 273 | R | 84.1 | Confident | 88 | Confident | 156 Ų | 156 | 94.3 Ų | 94.3 | 59% | 0.589 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -58.3 | -45.8 | 177 | -168.1 | 176.6 | 73.6 | -148.1 | -2.2 | 111.6 | E269 G270 R275 E276 E277 | E269-R273 PolarHBondContact O-N 2.86Å; G270-R273 PolarHBondContact O-N 3.16Å; R273-R275 VanDerWaalsContact C-N 3.31Å; R273-R275 PolarHBondContact O-N 3.13Å; R273-E276 PolarHBondContact O-N 3.39Å; R273-E277 WeakPolarHBondContact CG-OE1 3.25Å; R273-E277 IonicContact NE-OE1 3.27Å; R273-E277 WeakPolarHBondContact O-CB 3.47Å; R273-E277 WeakPolarHBondContact O-CG 3.37Å; R273-E277 PolarHBondContact O-N 3.23Å |
| 274 | E | 86.5 | Confident | 87.4 | Confident | 99 Ų | 99 | 92.4 Ų | 92.4 | 46% | 0.463 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.4 | -33.6 | 176.7 | -70.4 | 176.5 | -171.7 | 0 | 0 | 112.9 | G270 V272 R278 | G270-E274 WeakPolarHBondContact O-CG 3.49Å; G270-E274 PolarHBondContact O-N 3.31Å; V272-E274 VanDerWaalsContact C-N 3.34Å; V272-E274 PolarHBondContact O-N 3.49Å; E274-R278 WeakPolarHBondContact O-CB 3.35Å; E274-R278 WeakPolarHBondContact O-CG 3.47Å; E274-R278 PolarHBondContact O-N 3.14Å; E274-R278 VanDerWaalsContact O-N 3.12Å; E274-R278 PolarHBondContact O-NE 2.95Å |
| 275 | R | 85.8 | Confident | 86.9 | Confident | 141 Ų | 141 | 95.6 Ų | 95.6 | 53% | 0.532 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.8 | -39.6 | 174.2 | -73.7 | 175.6 | -161.4 | -173.1 | 10 | 111.6 | E271 V272 R273 K279 | E271-R275 VanDerWaalsContact O-CG 3.26Å; E271-R275 WeakPolarHBondContact O-CG 3.33Å; E271-R275 PolarHBondContact O-N 3.05Å; E271-R275 IonicContact OE2-CZ 2.74Å; E271-R275 IonicContact OE2-NH2 2.94Å; E271-R275 PolarHBondContact OE2-NH2 3.21Å; V272-R275 PolarHBondContact O-N 3.12Å; V272-R275 VanDerWaalsContact O-N 3.11Å; R273-R275 VanDerWaalsContact C-N 3.31Å; R273-R275 PolarHBondContact O-N 3.13Å; R275-K279 WeakPolarHBondContact O-CG 3.15Å; R275-K279 PolarHBondContact O-N 2.85Å; R275-K279 VanDerWaalsContact O-N 3.08Å |
| 276 | E | 86.4 | Confident | 86.4 | Confident | 107 Ų | 107 | 101.4 Ų | 101.4 | 50% | 0.5 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.6 | -43 | 176.1 | -72 | -178.5 | 171.2 | 0 | 0 | 111.8 | V272 R273 K279 N280 | V272-E276 HydrophobicContact CG1-CG 4.48Å; V272-E276 WeakPolarHBondContact O-CG 3.43Å; V272-E276 PolarHBondContact O-N 2.85Å; R273-E276 PolarHBondContact O-N 3.39Å; E276-K279 PolarHBondContact O-N 3.38Å; E276-N280 PolarHBondContact O-N 3.11Å; E276-N280 PolarHBondContact O-ND2 3.48Å |
| 277 | E | 89.1 | Confident | 85.8 | Confident | 97 Ų | 97 | 101.1 Ų | 101.1 | 45% | 0.453 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.4 | -48.5 | 174.7 | -74.5 | 170.5 | -175.2 | 0 | 0 | 111.2 | R273 K279 N280 E281 | R273-E277 WeakPolarHBondContact CG-OE1 3.25Å; R273-E277 IonicContact NE-OE1 3.27Å; R273-E277 WeakPolarHBondContact O-CB 3.47Å; R273-E277 WeakPolarHBondContact O-CG 3.37Å; R273-E277 PolarHBondContact O-N 3.23Å; E277-K279 PolarHBondContact O-N 3.15Å; E277-N280 PolarHBondContact O-N 3.42Å; E277-E281 WeakPolarHBondContact O-CG 3.37Å; E277-E281 PolarHBondContact O-N 3.03Å |
| 278 | R | 89.4 | Confident | 85.1 | Confident | 123 Ų | 123 | 99.4 Ų | 99.4 | 46% | 0.464 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 175.5 | -78.5 | 178.9 | -71.9 | -143.6 | -4.4 | 113.1 | E274 N280 E281 E282 | E274-R278 WeakPolarHBondContact O-CB 3.35Å; E274-R278 WeakPolarHBondContact O-CG 3.47Å; E274-R278 PolarHBondContact O-N 3.14Å; E274-R278 VanDerWaalsContact O-N 3.12Å; E274-R278 PolarHBondContact O-NE 2.95Å; R278-N280 PolarHBondContact O-N 3.29Å; R278-E281 PolarHBondContact O-N 3.49Å; R278-E282 WeakPolarHBondContact O-CG 3.23Å; R278-E282 PolarHBondContact O-N 3.34Å |
| 279 | K | 89.1 | Confident | 84.6 | Confident | 135 Ų | 135 | 102 Ų | 102 | 59% | 0.587 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.8 | -43.4 | 176.8 | -79.1 | 179.6 | 177.2 | -176.8 | 0 | 111.9 | R275 E276 E277 E281 E282 E283 | R275-K279 WeakPolarHBondContact O-CG 3.15Å; R275-K279 PolarHBondContact O-N 2.85Å; R275-K279 VanDerWaalsContact O-N 3.08Å; E276-K279 PolarHBondContact O-N 3.38Å; E277-K279 PolarHBondContact O-N 3.15Å; K279-E281 VanDerWaalsContact C-N 3.33Å; K279-E281 PolarHBondContact O-N 3.45Å; K279-E282 PolarHBondContact O-N 3.15Å; K279-E283 PolarHBondContact O-N 2.81Å |
| 280 | N | 88.6 | Confident | 84 | Confident | 88 Ų | 88 | 105.3 Ų | 105.3 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 178.2 | -67.9 | -21.5 | 0 | 0 | 0 | 111.4 | E276 E277 R278 N284 | E276-N280 PolarHBondContact O-N 3.11Å; E276-N280 PolarHBondContact O-ND2 3.48Å; E277-N280 PolarHBondContact O-N 3.42Å; R278-N280 PolarHBondContact O-N 3.29Å; N280-N284 VanDerWaalsContact O-CB 3.32Å; N280-N284 WeakPolarHBondContact O-CB 3.32Å; N280-N284 PolarHBondContact O-N 2.99Å; N280-N284 PolarHBondContact O-ND2 3.24Å |
| 281 | E | 89 | Confident | 83.5 | Confident | 123 Ų | 123 | 108.9 Ų | 108.9 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.8 | -45.3 | 173.2 | -73.9 | 179.2 | 176.2 | 0 | 0 | 112 | E277 R278 K279 N284 L285 | E277-E281 WeakPolarHBondContact O-CG 3.37Å; E277-E281 PolarHBondContact O-N 3.03Å; R278-E281 PolarHBondContact O-N 3.49Å; K279-E281 VanDerWaalsContact C-N 3.33Å; K279-E281 PolarHBondContact O-N 3.45Å; E281-N284 PolarHBondContact O-N 2.98Å; E281-L285 WeakPolarHBondContact O-CB 3.33Å; E281-L285 VanDerWaalsContact O-CG 3.32Å; E281-L285 WeakPolarHBondContact O-CG 3.41Å; E281-L285 PolarHBondContact O-N 3.49Å |
| 282 | E | 88.1 | Confident | 82.4 | Confident | 117 Ų | 117 | 108.6 Ų | 108.6 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 176.3 | -73.8 | 177.1 | -176.7 | 0 | 0 | 112.4 | R278 K279 L285 Q286 | R278-E282 WeakPolarHBondContact O-CG 3.23Å; R278-E282 PolarHBondContact O-N 3.34Å; K279-E282 PolarHBondContact O-N 3.15Å; E282-L285 PolarHBondContact O-N 3.41Å; E282-Q286 WeakPolarHBondContact O-CG 3.49Å; E282-Q286 PolarHBondContact O-N 3.1Å |
| 283 | E | 87.6 | Confident | 81.1 | Confident | 118 Ų | 118 | 112.2 Ų | 112.2 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.6 | -43.5 | 176.1 | -77.5 | -175 | 178.2 | 0 | 0 | 111.7 | K279 L285 Q286 L287 | K279-E283 PolarHBondContact O-N 2.81Å; E283-L285 VanDerWaalsContact C-N 3.34Å; E283-L285 PolarHBondContact O-N 2.56Å; E283-Q286 PolarHBondContact O-N 3.03Å; E283-L287 WeakPolarHBondContact O-CG 3.29Å; E283-L287 PolarHBondContact O-N 3.12Å |
| 284 | N | 84.4 | Confident | 79.7 | Confident | 99 Ų | 99 | 113.4 Ų | 113.4 | 53% | 0.529 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.5 | -39.4 | 176.4 | -76 | -34.8 | 0 | 0 | 0 | 112 | N280 E281 L287 T288 | N280-N284 VanDerWaalsContact O-CB 3.32Å; N280-N284 WeakPolarHBondContact O-CB 3.32Å; N280-N284 PolarHBondContact O-N 2.99Å; N280-N284 PolarHBondContact O-ND2 3.24Å; E281-N284 PolarHBondContact O-N 2.98Å; N284-L287 PolarHBondContact O-N 2.85Å; N284-T288 WeakPolarHBondContact O-CB 3.43Å; N284-T288 PolarHBondContact O-N 2.87Å; N284-T288 PolarHBondContact O-OG1 3.43Å |
| 285 | L | 85.5 | Confident | 78 | Confident | 116 Ų | 116 | 112.7 Ų | 112.7 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.9 | -45.5 | 173.8 | -76.6 | 165.4 | 0 | 0 | 0 | 111.2 | E281 E282 E283 L287 T288 V289 | E281-L285 WeakPolarHBondContact O-CB 3.33Å; E281-L285 VanDerWaalsContact O-CG 3.32Å; E281-L285 WeakPolarHBondContact O-CG 3.41Å; E281-L285 PolarHBondContact O-N 3.49Å; E282-L285 PolarHBondContact O-N 3.41Å; E283-L285 VanDerWaalsContact C-N 3.34Å; E283-L285 PolarHBondContact O-N 2.56Å; L285-L287 PolarHBondContact O-N 3.2Å; L285-T288 PolarHBondContact O-N 2.81Å; L285-V289 VanDerWaalsContact O-CG2 3.29Å; L285-V289 WeakPolarHBondContact O-CG2 3.1Å; L285-V289 PolarHBondContact O-N 3.36Å |
| 286 | Q | 79.9 | Confident | 76.2 | Confident | 122 Ų | 122 | 113.6 Ų | 113.6 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.2 | -42.2 | 177.3 | -71.6 | 178.7 | 24.4 | 0 | 0 | 112.4 | E282 E283 T288 V289 N290 | E282-Q286 WeakPolarHBondContact O-CG 3.49Å; E282-Q286 PolarHBondContact O-N 3.1Å; E283-Q286 PolarHBondContact O-N 3.03Å; Q286-T288 VanDerWaalsContact C-N 3.34Å; Q286-V289 PolarHBondContact O-N 3.23Å; Q286-N290 WeakPolarHBondContact O-CB 2.94Å; Q286-N290 VanDerWaalsContact O-CG 3.31Å; Q286-N290 PolarHBondContact O-N 2.67Å; Q286-N290 PolarHBondContact O-ND2 3.38Å |
| 287 | L | 79.5 | Confident | 74.1 | Confident | 112 Ų | 112 | 112.6 Ų | 112.6 | 59% | 0.586 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.2 | -39.2 | 175 | -71.8 | 168.5 | 0 | 0 | 0 | 111.9 | E283 N284 L285 N290 S291 | E283-L287 WeakPolarHBondContact O-CG 3.29Å; E283-L287 PolarHBondContact O-N 3.12Å; N284-L287 PolarHBondContact O-N 2.85Å; L285-L287 PolarHBondContact O-N 3.2Å; L287-N290 PolarHBondContact O-N 3.11Å; L287-S291 VanDerWaalsContact O-CB 3.26Å; L287-S291 WeakPolarHBondContact O-CB 3.32Å; L287-S291 PolarHBondContact O-N 3.3Å; L287-S291 PolarHBondContact O-OG 3.45Å |
| 288 | T | 77.4 | Confident | 72.1 | Confident | 85 Ų | 85 | 115.5 Ų | 115.5 | 52% | 0.521 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.9 | -38.5 | 176.7 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | N284 L285 Q286 S291 | N284-T288 WeakPolarHBondContact O-CB 3.43Å; N284-T288 PolarHBondContact O-N 2.87Å; N284-T288 PolarHBondContact O-OG1 3.43Å; L285-T288 PolarHBondContact O-N 2.81Å; Q286-T288 VanDerWaalsContact C-N 3.34Å; T288-S291 WeakPolarHBondContact CA-OG 3.32Å; T288-S291 PolarHBondContact O-OG 3.09Å |
| 289 | V | 77.4 | Confident | 70 | Confident | 92 Ų | 92 | 113.1 Ų | 113.1 | 56% | 0.558 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.8 | -43.3 | 175.1 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | L285 Q286 N292 | L285-V289 VanDerWaalsContact O-CG2 3.29Å; L285-V289 WeakPolarHBondContact O-CG2 3.1Å; L285-V289 PolarHBondContact O-N 3.36Å; Q286-V289 PolarHBondContact O-N 3.23Å; V289-N292 PolarHBondContact O-N 3.01Å |
| 290 | N | 71.6 | Confident | 68 | Low | 132 Ų | 132 | 116.5 Ų | 116.5 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -75.2 | -24.4 | -178.2 | -73.6 | -21.4 | 0 | 0 | 0 | 114 | Q286 L287 N292 | Q286-N290 WeakPolarHBondContact O-CB 2.94Å; Q286-N290 VanDerWaalsContact O-CG 3.31Å; Q286-N290 PolarHBondContact O-N 2.67Å; Q286-N290 PolarHBondContact O-ND2 3.38Å; L287-N290 PolarHBondContact O-N 3.11Å; N290-N292 VanDerWaalsContact C-N 3.35Å |
| 291 | S | 69.2 | Low | 66 | Low | 89 Ų | 89 | 121.5 Ų | 121.5 | 62% | 0.622 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -6.2 | 176.9 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | L287 T288 P293 | L287-S291 VanDerWaalsContact O-CB 3.26Å; L287-S291 WeakPolarHBondContact O-CB 3.32Å; L287-S291 PolarHBondContact O-N 3.3Å; L287-S291 PolarHBondContact O-OG 3.45Å; T288-S291 WeakPolarHBondContact CA-OG 3.32Å; T288-S291 PolarHBondContact O-OG 3.09Å; S291-P293 VanDerWaalsContact O-CD 3.29Å; S291-P293 WeakPolarHBondContact O-CD 3.39Å |
| 292 | N | 59.5 | Low | 64.1 | Low | 97 Ų | 97 | 120.1 Ų | 120.1 | 52% | 0.519 | 67% | 0.668 | S | S | . | * | trans | -89.6 | 108.4 | -179.4 | -124.4 | -18.9 | 0 | 0 | 0 | 110.8 | V289 N290 K294 S295 | V289-N292 PolarHBondContact O-N 3.01Å; N290-N292 VanDerWaalsContact C-N 3.35Å; N292-K294 PolarHBondContact O-N 2.77Å; N292-S295 PolarHBondContact O-OG 3.38Å | ||
| 293 | P | 55.5 | Low | 62 | Low | 109 Ų | 109 | 123 Ų | 123 | 71% | 0.708 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -69.1 | -6.1 | -171.9 | -17.4 | 31.2 | 0 | 0 | 0 | 115.1 | S291 | S291-P293 VanDerWaalsContact O-CD 3.29Å; S291-P293 WeakPolarHBondContact O-CD 3.39Å |
| 294 | K | 54.8 | Low | 59.9 | Low | 181 Ų | 181 | 127.1 Ų | 127.1 | 79% | 0.787 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -85 | -5.4 | -173.6 | -68.8 | -173.3 | 177.2 | -179 | 0 | 114.7 | N292 | N292-K294 PolarHBondContact O-N 2.77Š|
| 295 | S | 51 | Low | 58.7 | Low | 84 Ų | 84 | 128.5 Ų | 128.5 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -93.6 | -12.6 | 178.4 | 61.1 | 0 | 0 | 0 | 0 | 114.2 | N292 | N292-S295 PolarHBondContact O-OG 3.38Š|
| 296 | N | 47.3 | Very low | 57.3 | Low | 160 Ų | 160 | 129.2 Ų | 129.2 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -100 | 9 | -175.4 | -108.6 | -4.4 | 0 | 0 | 0 | 115 | ||
| 297 | S | 43.1 | Very low | 56 | Low | 85 Ų | 85 | 129.6 Ų | 129.6 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | trans | -108.3 | 3.5 | -172.9 | 64.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 298 | N | 45.2 | Very low | 54.6 | Low | 159 Ų | 159 | 130.6 Ų | 130.6 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -106.8 | 50.3 | -174.4 | -73.4 | 2 | 0 | 0 | 0 | 114.4 | ||
| 299 | G | 46.3 | Very low | 53.2 | Low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -146.7 | 6.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 300 | K | 47.9 | Very low | 51.6 | Low | 205 Ų | 205 | 136.2 Ų | 136.2 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | -136.9 | 72.2 | 178.5 | -75.7 | -171.8 | 177.1 | 179.7 | 0 | 112.8 | ||||
| 301 | E | 46.4 | Very low | 50.2 | Low | 194 Ų | 194 | 136.5 Ų | 136.5 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -132.5 | 104.9 | 153.7 | -73.4 | -175.1 | 162.5 | 0 | 0 | 105.5 | ||||
| 302 | A | 48.7 | Very low | 48.7 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | 104.1 | 92.4 | 85.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 303 | N | 43.9 | Very low | 47.8 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 95% | 0.947 | 84% | 0.836 | S | S | * | * | trans | -119.4 | 100.5 | 157.9 | -89 | -15.2 | 0 | 0 | 0 | 106.7 | ||||
| 304 | C | 43.6 | Very low | 47.1 | Very low | 205 Ų | 205 | 146.9 Ų | 146.9 | 100% | 1.385 | 85% | 0.848 | S | S | * | * | trans | -107 | 0 | 162.7 | -146 | 0 | 0 | 0 | 0 | 107.5 |
Retrieved 304 of 304 residues in 110.9 ms
(Link to these results)