| 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 | 43.3 | Very low | 45.1 | Very low | 219 Ų | 219 | 120.6 Ų | 120.6 | 100% | 1.079 | 67% | 0.671 | S | S | * | * | 0 | -18.5 | 0 | -69 | -172.9 | -158.3 | 0 | 0 | 114.2 | |||||
| 2 | A | 44.2 | Very low | 46.4 | Very low | 82 Ų | 82 | 117.8 Ų | 117.8 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | trans | -80.5 | -19.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 3 | T | 43.2 | Very low | 48.3 | Very low | 118 Ų | 118 | 111.8 Ų | 111.8 | 72% | 0.724 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -14.6 | -178.8 | 34.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 4 | S | 43.3 | Very low | 50.4 | Low | 76 Ų | 76 | 111.2 Ų | 111.2 | 53% | 0.531 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | -14.6 | 179.5 | -170.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 5 | N | 43.1 | Very low | 52.8 | Low | 111 Ų | 111 | 105.3 Ų | 105.3 | 59% | 0.594 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -19.2 | -178.1 | -79.8 | -15.1 | 0 | 0 | 0 | 113.9 | L7 K8 | N5-L7 VanDerWaalsContact C-N 3.3Å; N5-L7 PolarHBondContact O-N 3Å; N5-K8 PolarHBondContact O-N 2.68Å |
| 6 | L | 41.5 | Very low | 54.8 | Low | 133 Ų | 133 | 104.3 Ų | 104.3 | 70% | 0.696 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -17.3 | 175.9 | -79.9 | 154.2 | 0 | 0 | 0 | 113.3 | ||
| 7 | L | 44.5 | Very low | 56.5 | Low | 123 Ų | 123 | 103.4 Ų | 103.4 | 64% | 0.644 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -12.7 | 174 | -81 | 153.3 | 0 | 0 | 0 | 113.3 | N5 | N5-L7 VanDerWaalsContact C-N 3.3Å; N5-L7 PolarHBondContact O-N 3Å |
| 8 | K | 43.6 | Very low | 58.2 | Low | 156 Ų | 156 | 100.8 Ų | 100.8 | 68% | 0.678 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -7.3 | -174.2 | -78 | -174.7 | 174.6 | 179.8 | 0 | 115.5 | N5 | N5-K8 PolarHBondContact O-N 2.68Š|
| 9 | N | 50 | Low | 59.9 | Low | 110 Ų | 110 | 96.6 Ų | 96.6 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 8.7 | 175.9 | -82.9 | -1.5 | 0 | 0 | 0 | 114.2 | G11 S12 | N9-G11 VanDerWaalsContact C-N 3.34Å; N9-G11 PolarHBondContact O-N 3.48Å; N9-S12 PolarHBondContact O-N 3.39Å |
| 10 | K | 45.3 | Very low | 61.2 | Low | 148 Ų | 148 | 97.8 Ų | 97.8 | 64% | 0.643 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 97.2 | 166.2 | -95.1 | -172.2 | 166.5 | -167.6 | 0 | 108.4 | W53 | K10-W53 HydrophobicContact CG-CE3 4.29Å; K10-W53 HydrophobicContact CG-CZ3 4.23Å |
| 11 | G | 53.6 | Low | 62.6 | Low | 51 Ų | 51 | 99.9 Ų | 99.9 | 53% | 0.526 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 132.8 | -1.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 117 | N9 | N9-G11 VanDerWaalsContact C-N 3.34Å; N9-G11 PolarHBondContact O-N 3.48Å |
| 12 | S | 61.5 | Low | 64.9 | Low | 86 Ų | 86 | 89.4 Ų | 89.4 | 60% | 0.601 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -90.4 | -18.2 | -178 | 77.2 | 0 | 0 | 0 | 0 | 115.4 | N9 | N9-S12 PolarHBondContact O-N 3.39Š|
| 13 | L | 70.4 | Confident | 67.1 | Low | 41 Ų | 41 | 90.9 Ų | 90.9 | 22% | 0.215 | 47% | 0.473 | C | S | . | . | trans | -104.2 | 112.7 | -179.4 | -171.6 | 132.4 | 0 | 0 | 0 | 108.3 | K18 A49 V50 W53 | L13-K18 HydrophobicContact CD1-CG 4.47Å; L13-K18 HydrophobicContact CD2-CG 4.31Å; L13-K18 HydrophobicContact CG-CG 4.46Å; L13-A49 HydrophobicContact CD2-CB 4.39Å; L13-V50 HydrophobicContact CD2-CG2 3.94Å; L13-W53 HydrophobicContact CB-CB 4.3Å; L13-W53 HydrophobicContact CD2-CB 4.42Å | ||
| 14 | Q | 78.8 | Confident | 69.5 | Low | 103 Ų | 103 | 88.4 Ų | 88.4 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | trans | -101.9 | 151.7 | 177.4 | -59.8 | -162.7 | 5.2 | 0 | 0 | 110.6 | E16 D17 | Q14-E16 PolarHBondContact O-N 3.47Å; Q14-D17 PolarHBondContact N-OD2 2.9Å; Q14-D17 WeakPolarHBondContact O-CB 3.22Å; Q14-D17 PolarHBondContact O-N 2.9Å | ||
| 15 | F | 86.2 | Confident | 71.8 | Confident | 23 Ų | 23 | 85.4 Ų | 85.4 | 10% | 0.101 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -45.2 | -43.7 | 171.6 | 164.3 | -97.4 | 0 | 0 | 0 | 112.8 | D17 K18 W19 V50 D54 K60 I61 A64 | F15-D17 PolarHBondContact O-N 3.15Å; F15-K18 PolarHBondContact O-N 3.06Å; F15-K18 VanDerWaalsContact O-N 3.13Å; F15-W19 HydrophobicContact CD1-CB 4.38Å; F15-W19 HydrophobicContact CD2-CB 4.16Å; F15-W19 HydrophobicContact CE1-CB 3.93Å; F15-W19 HydrophobicContact CE1-CG 4.01Å; F15-W19 HydrophobicContact CE2-CB 3.69Å; F15-W19 AromaticContact CE2-CD2 3.58Å; F15-W19 HydrophobicContact CE2-CD2 3.58Å; F15-W19 AromaticContact CE2-CE3 3.6Å; F15-W19 HydrophobicContact CE2-CE3 3.6Å; F15-W19 AromaticContact CE2-CG 3.63Å; F15-W19 HydrophobicContact CE2-CG 3.63Å; F15-W19 HydrophobicContact CE2-CZ3 4.46Å; F15-W19 HydrophobicContact CG-CB 4.5Å; F15-W19 HydrophobicContact CZ-CB 3.57Å; F15-W19 AromaticContact CZ-CD1 3.7Å; F15-W19 AromaticContact CZ-CD2 3.57Å; F15-W19 HydrophobicContact CZ-CD2 3.57Å; F15-W19 HydrophobicContact CZ-CE3 4.09Å; F15-W19 AromaticContact CZ-CG 3.3Å; F15-W19 HydrophobicContact CZ-CG 3.3Å; F15-W19 WeakPolarHBondContact O-CB 3.49Å; F15-W19 PolarHBondContact O-N 3.04Å; F15-V50 HydrophobicContact CB-CG1 4.33Å; F15-V50 HydrophobicContact CD2-CG1 4.43Å; F15-D54 WeakPolarHBondContact CB-OD2 3.32Å; F15-D54 PolarHBondContact N-OD2 3.27Å; F15-K60 HydrophobicContact CB-CB 4.31Å; F15-K60 HydrophobicContact CB-CD 3.68Å; F15-K60 HydrophobicContact CD1-CB 3.89Å; F15-K60 HydrophobicContact CD1-CD 3.61Å; F15-K60 HydrophobicContact CD1-CG 4.36Å; F15-K60 HydrophobicContact CD2-CB 3.75Å; F15-K60 HydrophobicContact CE1-CB 4.09Å; F15-K60 HydrophobicContact CE1-CD 4.39Å; F15-K60 HydrophobicContact CE2-CB 3.95Å; F15-K60 HydrophobicContact CG-CB 3.7Å; F15-K60 HydrophobicContact CG-CD 3.7Å; F15-K60 HydrophobicContact CG-CG 4.4Å; F15-K60 HydrophobicContact CZ-CB 4.12Å; F15-I61 HydrophobicContact CD2-CG1 3.78Å; F15-I61 HydrophobicContact CE2-CB 4.48Å; F15-I61 HydrophobicContact CE2-CG1 3.81Å; F15-A64 HydrophobicContact CZ-CB 3.98Å |
| 16 | E | 85.1 | Confident | 74.1 | Confident | 88 Ų | 88 | 80.1 Ų | 80.1 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.7 | -34.5 | -178.5 | -70.8 | 75.8 | -172.6 | 0 | 0 | 112.5 | Q14 K18 K60 | Q14-E16 PolarHBondContact O-N 3.47Å; E16-K18 VanDerWaalsContact C-N 3.26Å; E16-K18 PolarHBondContact O-N 3.14Å; E16-K60 VanDerWaalsContact CD-NZ 3.26Å; E16-K60 IonicContact OE1-NZ 2.68Å; E16-K60 PolarHBondContact OE1-NZ 3.01Å; E16-K60 IonicContact OE2-NZ 3Å; E16-K60 PolarHBondContact OE2-NZ 3.01Å |
| 17 | D | 82.5 | Confident | 76.5 | Confident | 89 Ų | 89 | 75.8 Ų | 75.8 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -72.4 | -20.2 | -178.2 | -56.7 | -44.6 | 0 | 0 | 0 | 113.2 | Q14 F15 F21 | Q14-D17 PolarHBondContact N-OD2 2.9Å; Q14-D17 WeakPolarHBondContact O-CB 3.22Å; Q14-D17 PolarHBondContact O-N 2.9Å; F15-D17 PolarHBondContact O-N 3.15Å; D17-F21 WeakPolarHBondContact O-CD2 3.48Å; D17-F21 WeakPolarHBondContact O-CE2 3.45Å |
| 18 | K | 87.5 | Confident | 78.8 | Confident | 57 Ų | 57 | 72.8 Ų | 72.8 | 25% | 0.248 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -116.1 | -30.2 | -172.1 | -67.8 | -62.4 | -164.3 | 158.8 | 0 | 113.5 | L13 F15 E16 D20 F21 M22 D46 V50 | L13-K18 HydrophobicContact CD1-CG 4.47Å; L13-K18 HydrophobicContact CD2-CG 4.31Å; L13-K18 HydrophobicContact CG-CG 4.46Å; F15-K18 PolarHBondContact O-N 3.06Å; F15-K18 VanDerWaalsContact O-N 3.13Å; E16-K18 VanDerWaalsContact C-N 3.26Å; E16-K18 PolarHBondContact O-N 3.14Å; K18-D20 VanDerWaalsContact C-N 3.3Å; K18-D20 PolarHBondContact O-N 3.11Å; K18-F21 PolarHBondContact O-N 3.19Å; K18-F21 VanDerWaalsContact O-N 3.1Å; K18-M22 HydrophobicContact CB-CE 3.71Å; K18-M22 WeakPolarHBondContact O-CG 3.48Å; K18-M22 PolarHBondContact O-N 2.91Å; K18-D46 WeakPolarHBondContact CE-OD1 3.19Å; K18-D46 IonicContact NZ-OD1 3.52Å; K18-D46 PolarHBondContact NZ-OD1 2.99Å; K18-D46 IonicContact NZ-OD2 3.25Å; K18-V50 HydrophobicContact CB-CG2 3.77Å; K18-V50 HydrophobicContact CG-CG2 4.03Å |
| 19 | W | 89.9 | Confident | 81 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 8% | 0.08 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.4 | -35.7 | -177.3 | -170.7 | -110.5 | 0 | 0 | 0 | 113.3 | F15 F21 M22 R23 I61 A64 L65 | F15-W19 HydrophobicContact CD1-CB 4.38Å; F15-W19 HydrophobicContact CD2-CB 4.16Å; F15-W19 HydrophobicContact CE1-CB 3.93Å; F15-W19 HydrophobicContact CE1-CG 4.01Å; F15-W19 HydrophobicContact CE2-CB 3.69Å; F15-W19 AromaticContact CE2-CD2 3.58Å; F15-W19 HydrophobicContact CE2-CD2 3.58Å; F15-W19 AromaticContact CE2-CE3 3.6Å; F15-W19 HydrophobicContact CE2-CE3 3.6Å; F15-W19 AromaticContact CE2-CG 3.63Å; F15-W19 HydrophobicContact CE2-CG 3.63Å; F15-W19 HydrophobicContact CE2-CZ3 4.46Å; F15-W19 HydrophobicContact CG-CB 4.5Å; F15-W19 HydrophobicContact CZ-CB 3.57Å; F15-W19 AromaticContact CZ-CD1 3.7Å; F15-W19 AromaticContact CZ-CD2 3.57Å; F15-W19 HydrophobicContact CZ-CD2 3.57Å; F15-W19 HydrophobicContact CZ-CE3 4.09Å; F15-W19 AromaticContact CZ-CG 3.3Å; F15-W19 HydrophobicContact CZ-CG 3.3Å; F15-W19 WeakPolarHBondContact O-CB 3.49Å; F15-W19 PolarHBondContact O-N 3.04Å; W19-F21 PolarHBondContact O-N 3.31Å; W19-M22 HydrophobicContact CE3-CB 4.16Å; W19-M22 HydrophobicContact CE3-CE 3.92Å; W19-M22 HydrophobicContact CE3-SD 4.5Å; W19-M22 HydrophobicContact CZ3-CB 4.49Å; W19-M22 PolarHBondContact O-N 2.9Å; W19-M22 VanDerWaalsContact O-N 3.15Å; W19-R23 HydrophobicContact CD2-CB 4.47Å; W19-R23 HydrophobicContact CZ2-CB 4.38Å; W19-R23 HydrophobicContact CZ2-CG 4.48Å; W19-R23 VanDerWaalsContact O-CB 3.23Å; W19-R23 WeakPolarHBondContact O-CB 3.34Å; W19-R23 PolarHBondContact O-N 3.12Å; W19-I61 HydrophobicContact CZ3-CG2 4.16Å; W19-A64 HydrophobicContact CD2-CB 4.24Å; W19-A64 VanDerWaalsContact CE2-CB 3.47Å; W19-A64 HydrophobicContact CH2-CB 3.93Å; W19-A64 HydrophobicContact CZ2-CB 3.31Å; W19-L65 HydrophobicContact CH2-CD2 3.98Å; W19-L65 HydrophobicContact CH2-CG 4.04Å |
| 20 | D | 87.5 | Confident | 82.8 | Confident | 121 Ų | 121 | 60.8 Ų | 60.8 | 65% | 0.647 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.9 | -26.6 | 176.8 | -74 | -17.8 | 0 | 0 | 0 | 113 | K18 P24 | K18-D20 VanDerWaalsContact C-N 3.3Å; K18-D20 PolarHBondContact O-N 3.11Å; D20-P24 WeakPolarHBondContact O-CD 3.34Å; D20-P24 WeakPolarHBondContact O-CG 3.37Å |
| 21 | F | 88.9 | Confident | 84.9 | Confident | 141 Ų | 141 | 59.6 Ų | 59.6 | 62% | 0.618 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -87.8 | -35.9 | 174.1 | -59.5 | -78.5 | 0 | 0 | 0 | 112.6 | D17 K18 W19 | D17-F21 WeakPolarHBondContact O-CD2 3.48Å; D17-F21 WeakPolarHBondContact O-CE2 3.45Å; K18-F21 PolarHBondContact O-N 3.19Å; K18-F21 VanDerWaalsContact O-N 3.1Å; W19-F21 PolarHBondContact O-N 3.31Å |
| 22 | M | 91.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.6 | -43.6 | 178.9 | -69.1 | -170.7 | -85.1 | 0 | 0 | 112.5 | K18 W19 I25 V26 L43 D46 V47 V50 | K18-M22 HydrophobicContact CB-CE 3.71Å; K18-M22 WeakPolarHBondContact O-CG 3.48Å; K18-M22 PolarHBondContact O-N 2.91Å; W19-M22 HydrophobicContact CE3-CB 4.16Å; W19-M22 HydrophobicContact CE3-CE 3.92Å; W19-M22 HydrophobicContact CE3-SD 4.5Å; W19-M22 HydrophobicContact CZ3-CB 4.49Å; W19-M22 PolarHBondContact O-N 2.9Å; W19-M22 VanDerWaalsContact O-N 3.15Å; M22-I25 WeakPolarHBondContact O-CB 3.43Å; M22-I25 PolarHBondContact O-N 3.27Å; M22-V26 PolarHBondContact O-N 3.33Å; M22-L43 HydrophobicContact CB-CD1 3.85Å; M22-L43 HydrophobicContact CG-CD1 3.88Å; M22-L43 HydrophobicContact SD-CD1 4.23Å; M22-D46 HydrophobicContact CE-CB 4.48Å; M22-D46 HydrophobicContact CG-CB 3.8Å; M22-D46 HydrophobicContact SD-CB 3.76Å; M22-V47 HydrophobicContact SD-CG2 3.67Å; M22-V50 HydrophobicContact CE-CG2 3.88Å |
| 23 | R | 92.3 | Very high | 87.8 | Confident | 112 Ų | 112 | 61.5 Ų | 61.5 | 42% | 0.423 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.2 | -45.4 | -171.8 | -176.1 | -178.3 | -172.2 | -147 | -0.5 | 113.7 | W19 I25 V26 L27 D68 | W19-R23 HydrophobicContact CD2-CB 4.47Å; W19-R23 HydrophobicContact CZ2-CB 4.38Å; W19-R23 HydrophobicContact CZ2-CG 4.48Å; W19-R23 VanDerWaalsContact O-CB 3.23Å; W19-R23 WeakPolarHBondContact O-CB 3.34Å; W19-R23 PolarHBondContact O-N 3.12Å; R23-I25 PolarHBondContact O-N 3.47Å; R23-V26 PolarHBondContact O-N 3Å; R23-L27 HydrophobicContact CG-CD1 4.18Å; R23-L27 HydrophobicContact CG-CG 4.34Å; R23-L27 WeakPolarHBondContact O-CG 3.46Å; R23-L27 PolarHBondContact O-N 3.5Å; R23-D68 IonicContact CZ-OD1 2.83Å; R23-D68 IonicContact NE-OD1 3.24Å; R23-D68 PolarHBondContact NE-OD1 2.98Å; R23-D68 VanDerWaalsContact NE-OD1 3.15Å; R23-D68 IonicContact NE-OD2 3.24Å; R23-D68 PolarHBondContact NE-OD2 3.41Å; R23-D68 IonicContact NH2-OD1 2.62Å; R23-D68 PolarHBondContact NH2-OD1 3.24Å |
| 24 | P | 92 | Very high | 88.6 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.8 | -34.3 | 175.3 | -25.2 | 35.1 | 0 | 0 | 0 | 113.4 | D20 K28 | D20-P24 WeakPolarHBondContact O-CD 3.34Å; D20-P24 WeakPolarHBondContact O-CG 3.37Å; P24-K28 VanDerWaalsContact O-CG 3.29Å; P24-K28 WeakPolarHBondContact O-CG 3.26Å; P24-K28 PolarHBondContact O-N 3.3Å |
| 25 | I | 92.7 | Very high | 89 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.9 | -44.4 | 177.7 | -54.5 | 168 | 0 | 0 | 0 | 109.5 | M22 R23 L27 K28 L29 V35 Q39 L43 | M22-I25 WeakPolarHBondContact O-CB 3.43Å; M22-I25 PolarHBondContact O-N 3.27Å; R23-I25 PolarHBondContact O-N 3.47Å; I25-L27 VanDerWaalsContact C-N 3.35Å; I25-L27 PolarHBondContact O-N 2.87Å; I25-K28 WeakPolarHBondContact O-CB 3.47Å; I25-K28 PolarHBondContact O-N 3.2Å; I25-L29 HydrophobicContact CG2-CD1 4.38Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.4Å; I25-L29 PolarHBondContact O-N 2.91Å; I25-V35 HydrophobicContact CG2-CG1 3.79Å; I25-V35 HydrophobicContact CG2-CG2 4.39Å; I25-Q39 HydrophobicContact CD1-CB 3.92Å; I25-Q39 HydrophobicContact CD1-CG 4.16Å; I25-Q39 HydrophobicContact CG1-CB 4.16Å; I25-Q39 HydrophobicContact CG1-CG 4.28Å; I25-Q39 HydrophobicContact CG2-CB 4.34Å; I25-L43 HydrophobicContact CD1-CB 4.49Å; I25-L43 HydrophobicContact CG2-CB 4.34Å; I25-L43 HydrophobicContact CG2-CD2 3.93Å |
| 26 | V | 91.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.5 | -46.2 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | M22 R23 K28 L29 L30 L43 L65 L107 F111 | M22-V26 PolarHBondContact O-N 3.33Å; R23-V26 PolarHBondContact O-N 3Å; V26-K28 PolarHBondContact O-N 3.11Å; V26-L29 WeakPolarHBondContact O-CB 3.36Å; V26-L29 PolarHBondContact O-N 3.33Å; V26-L30 HydrophobicContact CG1-CD1 4.19Å; V26-L30 PolarHBondContact O-N 2.87Å; V26-L43 HydrophobicContact CG2-CD1 4.16Å; V26-L43 HydrophobicContact CG2-CD2 4.5Å; V26-L65 HydrophobicContact CG1-CD2 3.89Å; V26-L65 HydrophobicContact CG2-CD2 4.44Å; V26-L107 HydrophobicContact CG1-CD1 4.23Å; V26-F111 HydrophobicContact CG2-CE2 4.41Å; V26-F111 HydrophobicContact CG2-CZ 3.85Å |
| 27 | L | 91.9 | Very high | 89.6 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 177.6 | -69 | 176.1 | 0 | 0 | 0 | 112.2 | R23 I25 L29 L30 R31 D68 | R23-L27 HydrophobicContact CG-CD1 4.18Å; R23-L27 HydrophobicContact CG-CG 4.34Å; R23-L27 WeakPolarHBondContact O-CG 3.46Å; R23-L27 PolarHBondContact O-N 3.5Å; I25-L27 VanDerWaalsContact C-N 3.35Å; I25-L27 PolarHBondContact O-N 2.87Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L30 PolarHBondContact O-N 3.19Å; L27-R31 WeakPolarHBondContact O-CB 3.44Å; L27-R31 VanDerWaalsContact O-CG 3.28Å; L27-R31 WeakPolarHBondContact O-CG 3.38Å; L27-R31 PolarHBondContact O-N 2.99Å; L27-D68 HydrophobicContact CD2-CB 4.29Å |
| 28 | K | 91.5 | Very high | 89.9 | Confident | 60 Ų | 60 | 70.6 Ų | 70.6 | 26% | 0.261 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 173.3 | -79.5 | 178.3 | 173.5 | -169.1 | 0 | 111.9 | P24 I25 V26 R31 Q32 E33 V35 | P24-K28 VanDerWaalsContact O-CG 3.29Å; P24-K28 WeakPolarHBondContact O-CG 3.26Å; P24-K28 PolarHBondContact O-N 3.3Å; I25-K28 WeakPolarHBondContact O-CB 3.47Å; I25-K28 PolarHBondContact O-N 3.2Å; V26-K28 PolarHBondContact O-N 3.11Å; K28-R31 CarbonylContact O-C 3.55Å; K28-R31 PolarHBondContact O-N 3.47Å; K28-Q32 PolarHBondContact O-N 2.9Å; K28-E33 HydrophobicContact CB-CB 3.99Å; K28-E33 HydrophobicContact CG-CB 3.99Å; K28-E33 WeakPolarHBondContact CG-OE2 3.41Å; K28-E33 PolarHBondContact O-N 3.46Å; K28-V35 HydrophobicContact CB-CG2 3.73Å; K28-V35 HydrophobicContact CD-CG2 4.36Å |
| 29 | L | 90.8 | Very high | 90.2 | Very high | 12 Ų | 12 | 70.2 Ų | 70.2 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.7 | -50.9 | 177.7 | -65.3 | 167.3 | 0 | 0 | 0 | 111.3 | I25 V26 L27 R31 Q32 V35 W40 L43 Q103 I106 L107 | I25-L29 HydrophobicContact CG2-CD1 4.38Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.4Å; I25-L29 PolarHBondContact O-N 2.91Å; V26-L29 WeakPolarHBondContact O-CB 3.36Å; V26-L29 PolarHBondContact O-N 3.33Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L29-R31 PolarHBondContact O-N 3.34Å; L29-Q32 PolarHBondContact O-N 2.99Å; L29-V35 HydrophobicContact CD2-CB 4.29Å; L29-V35 HydrophobicContact CD2-CG2 3.68Å; L29-V35 HydrophobicContact CG-CG2 4.06Å; L29-W40 HydrophobicContact CD1-CE3 4.15Å; L29-W40 HydrophobicContact CD1-CH2 4.39Å; L29-W40 HydrophobicContact CD1-CZ3 3.46Å; L29-W40 VanDerWaalsContact CD1-CZ3 3.46Å; L29-W40 HydrophobicContact CD2-CE3 3.94Å; L29-W40 HydrophobicContact CD2-CH2 4.38Å; L29-W40 HydrophobicContact CD2-CZ3 3.37Å; L29-W40 HydrophobicContact CG-CZ3 4Å; L29-L43 HydrophobicContact CD1-CD2 3.8Å; L29-Q103 PolarHBondContact O-OE1 3.02Å; L29-I106 HydrophobicContact CD2-CG2 4.32Å; L29-L107 HydrophobicContact CB-CD1 4.28Å; L29-L107 HydrophobicContact CD1-CD1 4.16Å |
| 30 | L | 88.3 | Confident | 90.2 | Very high | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -53.5 | -39.5 | 176.2 | -76.8 | 170.1 | 0 | 0 | 0 | 112.2 | V26 L27 Q32 D68 I69 F72 L107 M139 | V26-L30 HydrophobicContact CG1-CD1 4.19Å; V26-L30 PolarHBondContact O-N 2.87Å; L27-L30 PolarHBondContact O-N 3.19Å; L30-Q32 VanDerWaalsContact C-N 3.34Å; L30-D68 HydrophobicContact CD1-CB 4.48Å; L30-I69 HydrophobicContact CD2-CG1 4.33Å; L30-F72 HydrophobicContact CB-CD2 4.09Å; L30-F72 HydrophobicContact CB-CE2 4.45Å; L30-F72 HydrophobicContact CB-CG 4.28Å; L30-F72 HydrophobicContact CD1-CB 4.4Å; L30-F72 HydrophobicContact CD2-CD1 4.35Å; L30-F72 HydrophobicContact CD2-CG 4.41Å; L30-F72 WeakPolarHBondContact O-CE2 3.32Å; L30-F72 VanDerWaalsContact O-CZ 3.22Å; L30-F72 WeakPolarHBondContact O-CZ 3.46Å; L30-L107 HydrophobicContact CD2-CD2 3.63Å; L30-L107 HydrophobicContact CG-CD2 4.07Å; L30-M139 HydrophobicContact CD2-CE 4.22Å |
| 31 | R | 87.7 | Confident | 90.3 | Very high | 124 Ų | 124 | 73.5 Ų | 73.5 | 47% | 0.468 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0.1 | -179.9 | -66 | 174.8 | -174.9 | 175.1 | 2.4 | 114.8 | L27 K28 L29 E33 F72 | L27-R31 WeakPolarHBondContact O-CB 3.44Å; L27-R31 VanDerWaalsContact O-CG 3.28Å; L27-R31 WeakPolarHBondContact O-CG 3.38Å; L27-R31 PolarHBondContact O-N 2.99Å; K28-R31 CarbonylContact O-C 3.55Å; K28-R31 PolarHBondContact O-N 3.47Å; L29-R31 PolarHBondContact O-N 3.34Å; R31-E33 HydrophobicContact CB-CG 3.89Å; R31-E33 WeakPolarHBondContact CD-OE1 3.37Å; R31-E33 IonicContact NH1-OE1 2.69Å; R31-E33 PolarHBondContact O-N 2.9Å; R31-F72 HydrophobicContact CG-CE2 4.49Å |
| 32 | Q | 86.3 | Confident | 90.5 | Very high | 87 Ų | 87 | 69.5 Ų | 69.5 | 41% | 0.407 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 31 | -173.4 | -43.9 | -160.2 | -37.9 | 0 | 0 | 113.8 | K28 L29 L30 K99 Q103 | K28-Q32 PolarHBondContact O-N 2.9Å; L29-Q32 PolarHBondContact O-N 2.99Å; L30-Q32 VanDerWaalsContact C-N 3.34Å; Q32-K99 PolarHBondContact NE2-O 3.34Å; Q32-Q103 HydrophobicContact CG-CG 4.03Å |
| 33 | E | 89.6 | Confident | 90.5 | Very high | 89 Ų | 89 | 69.5 Ų | 69.5 | 42% | 0.416 | 34% | 0.335 | S | S | . | . | trans | -79.2 | 159.1 | 173 | -65.2 | 175.1 | -156.8 | 0 | 0 | 110.6 | K28 R31 V35 | K28-E33 HydrophobicContact CB-CB 3.99Å; K28-E33 HydrophobicContact CG-CB 3.99Å; K28-E33 WeakPolarHBondContact CG-OE2 3.41Å; K28-E33 PolarHBondContact O-N 3.46Å; R31-E33 HydrophobicContact CB-CG 3.89Å; R31-E33 WeakPolarHBondContact CD-OE1 3.37Å; R31-E33 IonicContact NH1-OE1 2.69Å; R31-E33 PolarHBondContact O-N 2.9Å; E33-V35 PolarHBondContact O-N 3.13Å | ||
| 34 | S | 87.8 | Confident | 90.5 | Very high | 109 Ų | 109 | 67.9 Ų | 67.9 | 76% | 0.762 | 33% | 0.331 | S | S | * | . | trans | -67.9 | 127.4 | -178.6 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 35 | V | 88.1 | Confident | 90.3 | Very high | 39 Ų | 39 | 67.5 Ų | 67.5 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | trans | -115.8 | 126.4 | 174.3 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | I25 K28 L29 E33 Q39 W40 | I25-V35 HydrophobicContact CG2-CG1 3.79Å; I25-V35 HydrophobicContact CG2-CG2 4.39Å; K28-V35 HydrophobicContact CB-CG2 3.73Å; K28-V35 HydrophobicContact CD-CG2 4.36Å; L29-V35 HydrophobicContact CD2-CB 4.29Å; L29-V35 HydrophobicContact CD2-CG2 3.68Å; L29-V35 HydrophobicContact CG-CG2 4.06Å; E33-V35 PolarHBondContact O-N 3.13Å; V35-Q39 HydrophobicContact CG1-CB 3.6Å; V35-W40 HydrophobicContact CG1-CB 4.42Å; V35-W40 HydrophobicContact CG1-CE3 4.42Å | ||
| 36 | T | 92.2 | Very high | 90.3 | Very high | 77 Ų | 77 | 67.9 Ų | 67.9 | 47% | 0.472 | 33% | 0.332 | S | S | . | . | trans | -70.9 | 156.2 | 178.6 | 62.6 | 0 | 0 | 0 | 0 | 111 | Q38 Q39 W40 | T36-Q38 PolarHBondContact O-N 3.01Å; T36-Q39 PolarHBondContact O-N 3.49Å; T36-Q39 WeakPolarHBondContact OG1-CB 3.23Å; T36-Q39 VanDerWaalsContact OG1-CG 3.31Å; T36-Q39 WeakPolarHBondContact OG1-CG 3.49Å; T36-Q39 PolarHBondContact OG1-N 3.41Å; T36-Q39 PolarHBondContact OG1-OE1 2.91Å; T36-W40 PolarHBondContact O-N 2.89Å | ||
| 37 | K | 90.1 | Very high | 90.2 | Very high | 196 Ų | 196 | 67.8 Ų | 67.8 | 85% | 0.852 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -55.1 | -35.9 | 174.9 | -70.2 | -177.4 | 179.2 | 179 | 0 | 112.5 | W40 F41 | K37-W40 PolarHBondContact O-N 3.32Å; K37-F41 PolarHBondContact O-N 2.91Å |
| 38 | Q | 90.9 | Very high | 90 | Very high | 114 Ų | 114 | 69.9 Ų | 69.9 | 53% | 0.533 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.5 | -51.5 | 177.6 | -171.6 | 59.5 | 41.4 | 0 | 0 | 111.2 | T36 W40 F41 D42 | T36-Q38 PolarHBondContact O-N 3.01Å; Q38-W40 PolarHBondContact O-N 3.43Å; Q38-F41 WeakPolarHBondContact O-CB 3.39Å; Q38-F41 PolarHBondContact O-N 3.35Å; Q38-D42 PolarHBondContact NE2-OD1 3.04Å; Q38-D42 WeakPolarHBondContact O-CB 3.22Å; Q38-D42 PolarHBondContact O-N 3.48Å |
| 39 | Q | 92.1 | Very high | 89.9 | Confident | 50 Ų | 50 | 67.9 Ų | 67.9 | 23% | 0.234 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.9 | -39 | 175.8 | -76.6 | 164.2 | -33.6 | 0 | 0 | 112.4 | I25 V35 T36 D42 L43 | I25-Q39 HydrophobicContact CD1-CB 3.92Å; I25-Q39 HydrophobicContact CD1-CG 4.16Å; I25-Q39 HydrophobicContact CG1-CB 4.16Å; I25-Q39 HydrophobicContact CG1-CG 4.28Å; I25-Q39 HydrophobicContact CG2-CB 4.34Å; V35-Q39 HydrophobicContact CG1-CB 3.6Å; T36-Q39 PolarHBondContact O-N 3.49Å; T36-Q39 WeakPolarHBondContact OG1-CB 3.23Å; T36-Q39 VanDerWaalsContact OG1-CG 3.31Å; T36-Q39 WeakPolarHBondContact OG1-CG 3.49Å; T36-Q39 PolarHBondContact OG1-N 3.41Å; T36-Q39 PolarHBondContact OG1-OE1 2.91Å; Q39-D42 PolarHBondContact O-N 3.21Å; Q39-L43 WeakPolarHBondContact O-CB 3.35Å; Q39-L43 PolarHBondContact O-N 3.29Å |
| 40 | W | 90.1 | Very high | 89.8 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 28% | 0.28 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 176 | -167.7 | -104.2 | 0 | 0 | 0 | 111.5 | L29 V35 T36 K37 Q38 L43 F44 I106 K109 P110 | L29-W40 HydrophobicContact CD1-CE3 4.15Å; L29-W40 HydrophobicContact CD1-CH2 4.39Å; L29-W40 HydrophobicContact CD1-CZ3 3.46Å; L29-W40 VanDerWaalsContact CD1-CZ3 3.46Å; L29-W40 HydrophobicContact CD2-CE3 3.94Å; L29-W40 HydrophobicContact CD2-CH2 4.38Å; L29-W40 HydrophobicContact CD2-CZ3 3.37Å; L29-W40 HydrophobicContact CG-CZ3 4Å; V35-W40 HydrophobicContact CG1-CB 4.42Å; V35-W40 HydrophobicContact CG1-CE3 4.42Å; T36-W40 PolarHBondContact O-N 2.89Å; K37-W40 PolarHBondContact O-N 3.32Å; Q38-W40 PolarHBondContact O-N 3.43Å; W40-L43 PolarHBondContact O-N 3.1Å; W40-F44 AromaticContact CD1-CE2 3.9Å; W40-F44 HydrophobicContact CD2-CE2 4.25Å; W40-F44 AromaticContact CE2-CE2 3.52Å; W40-F44 HydrophobicContact CG-CE2 4.48Å; W40-F44 AromaticContact CZ2-CE2 3.78Å; W40-F44 HydrophobicContact CZ2-CE2 3.78Å; W40-F44 HydrophobicContact CZ2-CZ 4.39Å; W40-F44 AromaticContact NE1-CD2 4Å; W40-F44 AromaticContact NE1-CE2 3.28Å; W40-F44 VanDerWaalsContact NE1-CE2 3.28Å; W40-F44 WeakPolarHBondContact O-CD2 3.38Å; W40-F44 PolarHBondContact O-N 3.25Å; W40-I106 HydrophobicContact CH2-CG2 3.71Å; W40-I106 HydrophobicContact CZ3-CG2 4.18Å; W40-K109 HydrophobicContact CZ2-CB 4.18Å; W40-K109 HydrophobicContact CZ2-CD 4.43Å; W40-P110 HydrophobicContact CH2-CG 3.71Å; W40-P110 HydrophobicContact CZ2-CG 4.01Å; W40-P110 HydrophobicContact CZ3-CG 3.99Å |
| 41 | F | 90.6 | Very high | 89.7 | Confident | 136 Ų | 136 | 67.7 Ų | 67.7 | 60% | 0.596 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 175.7 | -179.3 | -92.3 | 0 | 0 | 0 | 112.5 | K37 Q38 L43 F44 S45 | K37-F41 PolarHBondContact O-N 2.91Å; Q38-F41 WeakPolarHBondContact O-CB 3.39Å; Q38-F41 PolarHBondContact O-N 3.35Å; F41-L43 VanDerWaalsContact C-N 3.3Å; F41-L43 PolarHBondContact O-N 2.8Å; F41-F44 PolarHBondContact O-N 3.05Å; F41-S45 WeakPolarHBondContact O-CB 3.46Å; F41-S45 PolarHBondContact O-N 3.15Å |
| 42 | D | 91.7 | Very high | 89.6 | Confident | 57 Ų | 57 | 66 Ų | 66 | 31% | 0.305 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 178.9 | -63 | -23.1 | 0 | 0 | 0 | 110.6 | Q38 Q39 F44 S45 D46 | Q38-D42 PolarHBondContact NE2-OD1 3.04Å; Q38-D42 WeakPolarHBondContact O-CB 3.22Å; Q38-D42 PolarHBondContact O-N 3.48Å; Q39-D42 PolarHBondContact O-N 3.21Å; D42-F44 PolarHBondContact O-N 2.88Å; D42-S45 PolarHBondContact O-N 3.41Å; D42-D46 VanDerWaalsContact O-CB 3.31Å; D42-D46 WeakPolarHBondContact O-CB 3.37Å; D42-D46 PolarHBondContact O-N 3.4Å |
| 43 | L | 92.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 177.1 | -177.1 | 62.6 | 0 | 0 | 0 | 112.3 | M22 I25 V26 L29 Q39 W40 F41 S45 V47 P110 F111 | M22-L43 HydrophobicContact CB-CD1 3.85Å; M22-L43 HydrophobicContact CG-CD1 3.88Å; M22-L43 HydrophobicContact SD-CD1 4.23Å; I25-L43 HydrophobicContact CD1-CB 4.49Å; I25-L43 HydrophobicContact CG2-CB 4.34Å; I25-L43 HydrophobicContact CG2-CD2 3.93Å; V26-L43 HydrophobicContact CG2-CD1 4.16Å; V26-L43 HydrophobicContact CG2-CD2 4.5Å; L29-L43 HydrophobicContact CD1-CD2 3.8Å; Q39-L43 WeakPolarHBondContact O-CB 3.35Å; Q39-L43 PolarHBondContact O-N 3.29Å; W40-L43 PolarHBondContact O-N 3.1Å; F41-L43 VanDerWaalsContact C-N 3.3Å; F41-L43 PolarHBondContact O-N 2.8Å; L43-S45 VanDerWaalsContact C-N 3.34Å; L43-S45 PolarHBondContact O-N 3.32Å; L43-V47 HydrophobicContact CD1-CG2 4.08Å; L43-V47 WeakPolarHBondContact O-CB 3.31Å; L43-V47 WeakPolarHBondContact O-CG2 3.25Å; L43-V47 PolarHBondContact O-N 3.48Å; L43-P110 HydrophobicContact CD2-CB 3.75Å; L43-P110 HydrophobicContact CD2-CG 3.64Å; L43-P110 HydrophobicContact CG-CB 3.74Å; L43-P110 HydrophobicContact CG-CG 4.2Å; L43-F111 HydrophobicContact CD1-CZ 4.41Å |
| 44 | F | 91.3 | Very high | 89.3 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 34% | 0.342 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 174.9 | -89.3 | -99.1 | 0 | 0 | 0 | 111.8 | W40 F41 D42 H48 K109 P110 | W40-F44 AromaticContact CD1-CE2 3.9Å; W40-F44 HydrophobicContact CD2-CE2 4.25Å; W40-F44 AromaticContact CE2-CE2 3.52Å; W40-F44 HydrophobicContact CG-CE2 4.48Å; W40-F44 AromaticContact CZ2-CE2 3.78Å; W40-F44 HydrophobicContact CZ2-CE2 3.78Å; W40-F44 HydrophobicContact CZ2-CZ 4.39Å; W40-F44 AromaticContact NE1-CD2 4Å; W40-F44 AromaticContact NE1-CE2 3.28Å; W40-F44 VanDerWaalsContact NE1-CE2 3.28Å; W40-F44 WeakPolarHBondContact O-CD2 3.38Å; W40-F44 PolarHBondContact O-N 3.25Å; F41-F44 PolarHBondContact O-N 3.05Å; D42-F44 PolarHBondContact O-N 2.88Å; F44-H48 VanDerWaalsContact O-CB 3.3Å; F44-H48 WeakPolarHBondContact O-CB 3.32Å; F44-H48 PolarHBondContact O-N 3.1Å; F44-K109 WeakPolarHBondContact CE1-O 3.39Å; F44-K109 HydrophobicContact CZ-CB 3.94Å; F44-K109 VanDerWaalsContact CZ-O 3.25Å; F44-K109 WeakPolarHBondContact CZ-O 3.37Å; F44-P110 HydrophobicContact CD2-CB 3.74Å; F44-P110 HydrophobicContact CD2-CG 4.03Å; F44-P110 HydrophobicContact CE2-CB 3.73Å; F44-P110 HydrophobicContact CE2-CG 3.61Å; F44-P110 HydrophobicContact CG-CB 4.21Å; F44-P110 VanDerWaalsContact CZ-CA 3.5Å; F44-P110 HydrophobicContact CZ-CB 4.22Å; F44-P110 HydrophobicContact CZ-CG 4.2Å |
| 45 | S | 89.8 | Confident | 89 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.5 | -45.2 | -178.3 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | F41 D42 L43 H48 A49 | F41-S45 WeakPolarHBondContact O-CB 3.46Å; F41-S45 PolarHBondContact O-N 3.15Å; D42-S45 PolarHBondContact O-N 3.41Å; L43-S45 VanDerWaalsContact C-N 3.34Å; L43-S45 PolarHBondContact O-N 3.32Å; S45-H48 PolarHBondContact O-N 2.98Å; S45-A49 WeakPolarHBondContact O-CB 3.21Å; S45-A49 PolarHBondContact O-N 3.47Å |
| 46 | D | 91 | Very high | 88.9 | Confident | 20 Ų | 20 | 70.9 Ų | 70.9 | 11% | 0.107 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.8 | -41.5 | -178 | -74.9 | -24.1 | 0 | 0 | 0 | 111.7 | K18 M22 D42 H48 A49 V50 | K18-D46 WeakPolarHBondContact CE-OD1 3.19Å; K18-D46 IonicContact NZ-OD1 3.52Å; K18-D46 PolarHBondContact NZ-OD1 2.99Å; K18-D46 IonicContact NZ-OD2 3.25Å; M22-D46 HydrophobicContact CE-CB 4.48Å; M22-D46 HydrophobicContact CG-CB 3.8Å; M22-D46 HydrophobicContact SD-CB 3.76Å; D42-D46 VanDerWaalsContact O-CB 3.31Å; D42-D46 WeakPolarHBondContact O-CB 3.37Å; D42-D46 PolarHBondContact O-N 3.4Å; D46-H48 VanDerWaalsContact C-N 3.31Å; D46-H48 PolarHBondContact O-N 3.11Å; D46-A49 PolarHBondContact O-N 3.26Å; D46-V50 WeakPolarHBondContact O-CG2 3.4Å; D46-V50 PolarHBondContact O-N 3.46Å |
| 47 | V | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 172.7 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | M22 L43 C51 P110 F111 | M22-V47 HydrophobicContact SD-CG2 3.67Å; L43-V47 HydrophobicContact CD1-CG2 4.08Å; L43-V47 WeakPolarHBondContact O-CB 3.31Å; L43-V47 WeakPolarHBondContact O-CG2 3.25Å; L43-V47 PolarHBondContact O-N 3.48Å; V47-C51 WeakPolarHBondContact O-CB 3.15Å; V47-C51 PolarHBondContact O-N 3.4Å; V47-C51 PolarHBondContact O-SG 2.74Å; V47-P110 WeakPolarHBondContact CG1-O 3.44Å; V47-F111 HydrophobicContact CG1-CD1 3.88Å; V47-F111 HydrophobicContact CG1-CE1 4.41Å; V47-F111 HydrophobicContact CG2-CD1 3.79Å; V47-F111 HydrophobicContact CG2-CE1 3.5Å; V47-F111 VanDerWaalsContact CG2-CE1 3.5Å; V47-F111 HydrophobicContact CG2-CZ 4.21Å |
| 48 | H | 88.7 | Confident | 88.5 | Confident | 85 Ų | 85 | 58.4 Ų | 58.4 | 39% | 0.394 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 177 | -179.9 | -82.1 | 0 | 0 | 0 | 112 | F44 S45 D46 C51 L52 Q113 | F44-H48 VanDerWaalsContact O-CB 3.3Å; F44-H48 WeakPolarHBondContact O-CB 3.32Å; F44-H48 PolarHBondContact O-N 3.1Å; S45-H48 PolarHBondContact O-N 2.98Å; D46-H48 VanDerWaalsContact C-N 3.31Å; D46-H48 PolarHBondContact O-N 3.11Å; H48-C51 PolarHBondContact O-N 3.34Å; H48-L52 WeakPolarHBondContact O-CB 3.48Å; H48-L52 PolarHBondContact O-N 3.15Å; H48-L52 VanDerWaalsContact O-N 3.11Å; H48-Q113 HydrophobicContact CB-CG 4.37Å |
| 49 | A | 88.1 | Confident | 88.3 | Confident | 17 Ų | 17 | 56 Ų | 56 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L13 S45 D46 C51 L52 W53 | L13-A49 HydrophobicContact CD2-CB 4.39Å; S45-A49 WeakPolarHBondContact O-CB 3.21Å; S45-A49 PolarHBondContact O-N 3.47Å; D46-A49 PolarHBondContact O-N 3.26Å; A49-C51 VanDerWaalsContact C-N 3.35Å; A49-C51 PolarHBondContact O-N 2.87Å; A49-L52 PolarHBondContact O-N 2.86Å; A49-W53 WeakPolarHBondContact O-CB 3.34Å; A49-W53 PolarHBondContact O-N 3.47Å |
| 50 | V | 88.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 178.7 | 175 | 0 | 0 | 0 | 0 | 110.9 | L13 F15 K18 M22 D46 L52 D54 I61 | L13-V50 HydrophobicContact CD2-CG2 3.94Å; F15-V50 HydrophobicContact CB-CG1 4.33Å; F15-V50 HydrophobicContact CD2-CG1 4.43Å; K18-V50 HydrophobicContact CB-CG2 3.77Å; K18-V50 HydrophobicContact CG-CG2 4.03Å; M22-V50 HydrophobicContact CE-CG2 3.88Å; D46-V50 WeakPolarHBondContact O-CG2 3.4Å; D46-V50 PolarHBondContact O-N 3.46Å; V50-L52 PolarHBondContact O-N 3.2Å; V50-D54 HydrophobicContact CG1-CB 4.35Å; V50-D54 PolarHBondContact O-N 2.71Å; V50-D54 VanDerWaalsContact O-N 3.15Å; V50-I61 HydrophobicContact CB-CD1 3.82Å; V50-I61 HydrophobicContact CG1-CD1 3.49Å; V50-I61 VanDerWaalsContact CG1-CD1 3.49Å; V50-I61 HydrophobicContact CG1-CG1 4.11Å |
| 51 | C | 87 | Confident | 88.2 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -25.7 | 177.3 | -67.3 | 0 | 0 | 0 | 0 | 113.6 | V47 H48 A49 P58 Q113 | V47-C51 WeakPolarHBondContact O-CB 3.15Å; V47-C51 PolarHBondContact O-N 3.4Å; V47-C51 PolarHBondContact O-SG 2.74Å; H48-C51 PolarHBondContact O-N 3.34Å; A49-C51 VanDerWaalsContact C-N 3.35Å; A49-C51 PolarHBondContact O-N 2.87Å; C51-P58 HydrophobicContact CB-CG 4.39Å; C51-Q113 HydrophobicContact CB-CG 3.92Å |
| 52 | L | 85 | Confident | 88.2 | Confident | 90 Ų | 90 | 48.8 Ų | 48.8 | 47% | 0.471 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -90.7 | -34.8 | -177.5 | -170.6 | 67.6 | 0 | 0 | 0 | 113.3 | H48 A49 V50 | H48-L52 WeakPolarHBondContact O-CB 3.48Å; H48-L52 PolarHBondContact O-N 3.15Å; H48-L52 VanDerWaalsContact O-N 3.11Å; A49-L52 PolarHBondContact O-N 2.86Å; V50-L52 PolarHBondContact O-N 3.2Å |
| 53 | W | 84.7 | Confident | 88.1 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 36% | 0.36 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -111.6 | -20.3 | -167 | -59.5 | 114.8 | 0 | 0 | 0 | 115.3 | K10 L13 A49 | K10-W53 HydrophobicContact CG-CE3 4.29Å; K10-W53 HydrophobicContact CG-CZ3 4.23Å; L13-W53 HydrophobicContact CB-CB 4.3Å; L13-W53 HydrophobicContact CD2-CB 4.42Å; A49-W53 WeakPolarHBondContact O-CB 3.34Å; A49-W53 PolarHBondContact O-N 3.47Å |
| 54 | D | 84.6 | Confident | 88.1 | Confident | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | trans | -107.4 | 110.1 | 175 | -177.3 | -8.2 | 0 | 0 | 0 | 109.7 | F15 V50 K56 G57 P58 | F15-D54 WeakPolarHBondContact CB-OD2 3.32Å; F15-D54 PolarHBondContact N-OD2 3.27Å; V50-D54 HydrophobicContact CG1-CB 4.35Å; V50-D54 PolarHBondContact O-N 2.71Å; V50-D54 VanDerWaalsContact O-N 3.15Å; D54-K56 PolarHBondContact O-N 3.09Å; D54-K56 VanDerWaalsContact O-N 3.14Å; D54-K56 PolarHBondContact OD1-N 3.48Å; D54-G57 WeakPolarHBondContact O-CA 3.37Å; D54-G57 PolarHBondContact O-N 3.25Å; D54-G57 PolarHBondContact OD1-N 3.11Å; D54-G57 VanDerWaalsContact OD1-N 3.12Å; D54-P58 VanDerWaalsContact O-CD 3.22Å; D54-P58 WeakPolarHBondContact O-CD 3.34Å | ||
| 55 | D | 81.8 | Confident | 88.1 | Confident | 160 Ų | 160 | 47.3 Ų | 47.3 | 86% | 0.856 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.7 | 179.9 | -69.7 | -28.6 | 0 | 0 | 0 | 112.9 | ||
| 56 | K | 86.3 | Confident | 88.1 | Confident | 150 Ų | 150 | 49.2 Ų | 49.2 | 65% | 0.652 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -8.2 | 175.2 | -65.4 | -177.8 | -179.5 | 178.2 | 0 | 112.7 | D54 A59 K60 | D54-K56 PolarHBondContact O-N 3.09Å; D54-K56 VanDerWaalsContact O-N 3.14Å; D54-K56 PolarHBondContact OD1-N 3.48Å; K56-A59 PolarHBondContact O-N 2.98Å; K56-K60 WeakPolarHBondContact O-CG 3.41Å; K56-K60 PolarHBondContact O-N 3.46Å; K56-K60 VanDerWaalsContact O-N 3.11Å |
| 57 | G | 86.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.6 | -52 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D54 A59 K60 I61 | D54-G57 WeakPolarHBondContact O-CA 3.37Å; D54-G57 PolarHBondContact O-N 3.25Å; D54-G57 PolarHBondContact OD1-N 3.11Å; D54-G57 VanDerWaalsContact OD1-N 3.12Å; G57-A59 PolarHBondContact O-N 3.05Å; G57-K60 PolarHBondContact O-N 3.44Å; G57-I61 WeakPolarHBondContact O-CG1 3.31Å; G57-I61 PolarHBondContact O-N 3.01Å |
| 58 | P | 87.1 | Confident | 88.3 | Confident | 10 Ų | 10 | 54 Ų | 54 | 7% | 0.065 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -53.3 | -47.2 | 177.5 | -29.5 | 34.9 | 0 | 0 | 0 | 113.8 | C51 D54 K60 I61 H62 L114 T117 L118 | C51-P58 HydrophobicContact CB-CG 4.39Å; D54-P58 VanDerWaalsContact O-CD 3.22Å; D54-P58 WeakPolarHBondContact O-CD 3.34Å; P58-K60 PolarHBondContact O-N 3.1Å; P58-I61 PolarHBondContact O-N 3.24Å; P58-H62 WeakPolarHBondContact O-CB 3.36Å; P58-H62 PolarHBondContact O-N 3.43Å; P58-L114 VanDerWaalsContact CA-CD1 3.49Å; P58-L114 HydrophobicContact CB-CD1 3.77Å; P58-L114 VanDerWaalsContact O-CD1 3.26Å; P58-L114 WeakPolarHBondContact O-CD1 3.49Å; P58-T117 HydrophobicContact CB-CG2 4.27Å; P58-T117 HydrophobicContact CG-CG2 3.59Å; P58-L118 HydrophobicContact CB-CD2 3.92Å; P58-L118 HydrophobicContact CB-CG 4.28Å |
| 59 | A | 87.6 | Confident | 88.4 | Confident | 63 Ų | 63 | 50 Ų | 50 | 52% | 0.521 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K56 G57 H62 Q63 | K56-A59 PolarHBondContact O-N 2.98Å; G57-A59 PolarHBondContact O-N 3.05Å; A59-H62 PolarHBondContact O-N 3.02Å; A59-Q63 WeakPolarHBondContact O-CB 3.15Å; A59-Q63 PolarHBondContact O-N 3.15Å |
| 60 | K | 90.6 | Very high | 88.6 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 26% | 0.261 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 175.8 | -70 | -178.9 | -179.3 | -178.7 | 0 | 112.2 | F15 E16 K56 G57 P58 H62 Q63 A64 | F15-K60 HydrophobicContact CB-CB 4.31Å; F15-K60 HydrophobicContact CB-CD 3.68Å; F15-K60 HydrophobicContact CD1-CB 3.89Å; F15-K60 HydrophobicContact CD1-CD 3.61Å; F15-K60 HydrophobicContact CD1-CG 4.36Å; F15-K60 HydrophobicContact CD2-CB 3.75Å; F15-K60 HydrophobicContact CE1-CB 4.09Å; F15-K60 HydrophobicContact CE1-CD 4.39Å; F15-K60 HydrophobicContact CE2-CB 3.95Å; F15-K60 HydrophobicContact CG-CB 3.7Å; F15-K60 HydrophobicContact CG-CD 3.7Å; F15-K60 HydrophobicContact CG-CG 4.4Å; F15-K60 HydrophobicContact CZ-CB 4.12Å; E16-K60 VanDerWaalsContact CD-NZ 3.26Å; E16-K60 IonicContact OE1-NZ 2.68Å; E16-K60 PolarHBondContact OE1-NZ 3.01Å; E16-K60 IonicContact OE2-NZ 3Å; E16-K60 PolarHBondContact OE2-NZ 3.01Å; K56-K60 WeakPolarHBondContact O-CG 3.41Å; K56-K60 PolarHBondContact O-N 3.46Å; K56-K60 VanDerWaalsContact O-N 3.11Å; G57-K60 PolarHBondContact O-N 3.44Å; P58-K60 PolarHBondContact O-N 3.1Å; K60-H62 PolarHBondContact O-N 2.89Å; K60-Q63 PolarHBondContact O-N 3.2Å; K60-A64 WeakPolarHBondContact O-CB 3.25Å; K60-A64 PolarHBondContact O-N 3.3Å |
| 61 | I | 89.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.5 | -49.3 | 174.9 | -69.2 | 171.2 | 0 | 0 | 0 | 110.2 | F15 W19 V50 G57 P58 Q63 A64 L65 F111 L114 | F15-I61 HydrophobicContact CD2-CG1 3.78Å; F15-I61 HydrophobicContact CE2-CB 4.48Å; F15-I61 HydrophobicContact CE2-CG1 3.81Å; W19-I61 HydrophobicContact CZ3-CG2 4.16Å; V50-I61 HydrophobicContact CB-CD1 3.82Å; V50-I61 HydrophobicContact CG1-CD1 3.49Å; V50-I61 VanDerWaalsContact CG1-CD1 3.49Å; V50-I61 HydrophobicContact CG1-CG1 4.11Å; G57-I61 WeakPolarHBondContact O-CG1 3.31Å; G57-I61 PolarHBondContact O-N 3.01Å; P58-I61 PolarHBondContact O-N 3.24Å; I61-Q63 VanDerWaalsContact C-N 3.33Å; I61-Q63 PolarHBondContact O-N 3.44Å; I61-A64 PolarHBondContact O-N 3.45Å; I61-L65 HydrophobicContact CG2-CD1 3.89Å; I61-L65 HydrophobicContact CG2-CG 4.26Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.32Å; I61-L65 WeakPolarHBondContact O-CG 3.28Å; I61-L65 PolarHBondContact O-N 2.93Å; I61-F111 HydrophobicContact CG2-CD1 3.96Å; I61-F111 HydrophobicContact CG2-CE1 3.79Å; I61-L114 HydrophobicContact CB-CD1 4.22Å; I61-L114 HydrophobicContact CG2-CD1 4.27Å; I61-L114 HydrophobicContact CG2-CD2 3.82Å |
| 62 | H | 89.2 | Confident | 89.1 | Confident | 49 Ų | 49 | 57 Ų | 57 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.8 | -42.3 | -179.3 | -179.1 | -90 | 0 | 0 | 0 | 112.2 | P58 A59 K60 K66 L114 L118 | P58-H62 WeakPolarHBondContact O-CB 3.36Å; P58-H62 PolarHBondContact O-N 3.43Å; A59-H62 PolarHBondContact O-N 3.02Å; K60-H62 PolarHBondContact O-N 2.89Å; H62-K66 WeakPolarHBondContact O-CB 3.48Å; H62-K66 PolarHBondContact O-N 3.35Å; H62-L114 HydrophobicContact CB-CD2 4.45Å; H62-L118 HydrophobicContact CB-CD1 4.2Å |
| 63 | Q | 90.5 | Very high | 89.4 | Confident | 91 Ų | 91 | 52.7 Ų | 52.7 | 43% | 0.425 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 176.8 | -179.1 | 59.1 | 29 | 0 | 0 | 112.2 | A59 K60 I61 K66 E67 | A59-Q63 WeakPolarHBondContact O-CB 3.15Å; A59-Q63 PolarHBondContact O-N 3.15Å; K60-Q63 PolarHBondContact O-N 3.2Å; I61-Q63 VanDerWaalsContact C-N 3.33Å; I61-Q63 PolarHBondContact O-N 3.44Å; Q63-K66 WeakPolarHBondContact O-CB 3.45Å; Q63-K66 PolarHBondContact O-N 2.97Å; Q63-E67 PolarHBondContact NE2-OE1 3.41Å; Q63-E67 PolarHBondContact O-N 3.33Å; Q63-E67 VanDerWaalsContact O-N 3.1Å |
| 64 | A | 91.5 | Very high | 89.8 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | F15 W19 K60 I61 K66 E67 D68 | F15-A64 HydrophobicContact CZ-CB 3.98Å; W19-A64 HydrophobicContact CD2-CB 4.24Å; W19-A64 VanDerWaalsContact CE2-CB 3.47Å; W19-A64 HydrophobicContact CH2-CB 3.93Å; W19-A64 HydrophobicContact CZ2-CB 3.31Å; K60-A64 WeakPolarHBondContact O-CB 3.25Å; K60-A64 PolarHBondContact O-N 3.3Å; I61-A64 PolarHBondContact O-N 3.45Å; A64-K66 VanDerWaalsContact C-N 3.34Å; A64-K66 PolarHBondContact O-N 3.32Å; A64-E67 PolarHBondContact O-N 3.23Å; A64-D68 PolarHBondContact O-N 2.88Å |
| 65 | L | 91.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 171.1 | -76.4 | 174.4 | 0 | 0 | 0 | 111.8 | W19 V26 I61 E67 D68 I69 F111 L114 V135 | W19-L65 HydrophobicContact CH2-CD2 3.98Å; W19-L65 HydrophobicContact CH2-CG 4.04Å; V26-L65 HydrophobicContact CG1-CD2 3.89Å; V26-L65 HydrophobicContact CG2-CD2 4.44Å; I61-L65 HydrophobicContact CG2-CD1 3.89Å; I61-L65 HydrophobicContact CG2-CG 4.26Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.32Å; I61-L65 WeakPolarHBondContact O-CG 3.28Å; I61-L65 PolarHBondContact O-N 2.93Å; L65-E67 VanDerWaalsContact C-N 3.29Å; L65-E67 PolarHBondContact O-N 3.05Å; L65-D68 PolarHBondContact O-N 2.9Å; L65-I69 HydrophobicContact CB-CD1 4.36Å; L65-I69 VanDerWaalsContact O-CB 3.25Å; L65-I69 WeakPolarHBondContact O-CB 3.3Å; L65-I69 WeakPolarHBondContact O-CD1 3.36Å; L65-I69 WeakPolarHBondContact O-CG1 3.49Å; L65-I69 PolarHBondContact O-N 2.99Å; L65-F111 HydrophobicContact CD1-CD1 3.72Å; L65-F111 HydrophobicContact CD1-CD2 4.35Å; L65-F111 HydrophobicContact CD1-CE1 3.66Å; L65-F111 HydrophobicContact CD1-CE2 4.31Å; L65-F111 HydrophobicContact CD1-CG 4.08Å; L65-F111 HydrophobicContact CD1-CZ 3.98Å; L65-F111 HydrophobicContact CD2-CE1 4.1Å; L65-F111 HydrophobicContact CD2-CE2 4.06Å; L65-F111 HydrophobicContact CD2-CZ 3.67Å; L65-F111 HydrophobicContact CG-CE1 4.24Å; L65-F111 HydrophobicContact CG-CZ 4.3Å; L65-L114 HydrophobicContact CD1-CD2 4.13Å; L65-V135 HydrophobicContact CD1-CG2 4.18Å |
| 66 | K | 91.1 | Very high | 90.6 | Very high | 99 Ų | 99 | 47.7 Ų | 47.7 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58 | -42.7 | 177.3 | 179 | 172.8 | -175.1 | -176.9 | 0 | 112 | H62 Q63 A64 L70 L138 | H62-K66 WeakPolarHBondContact O-CB 3.48Å; H62-K66 PolarHBondContact O-N 3.35Å; Q63-K66 WeakPolarHBondContact O-CB 3.45Å; Q63-K66 PolarHBondContact O-N 2.97Å; A64-K66 VanDerWaalsContact C-N 3.34Å; A64-K66 PolarHBondContact O-N 3.32Å; K66-L70 VanDerWaalsContact O-CB 3.22Å; K66-L70 WeakPolarHBondContact O-CB 3.2Å; K66-L70 PolarHBondContact O-N 2.66Å; K66-L138 HydrophobicContact CB-CD1 4.33Å; K66-L138 HydrophobicContact CB-CD2 3.93Å; K66-L138 HydrophobicContact CD-CD1 4.21Å; K66-L138 HydrophobicContact CG-CD1 4.02Å |
| 67 | E | 92.2 | Very high | 90.9 | Very high | 109 Ų | 109 | 43 Ų | 43 | 51% | 0.509 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.5 | -48.7 | 178.7 | -71.4 | 170.3 | -164.4 | 0 | 0 | 112.2 | Q63 A64 L65 L70 E71 | Q63-E67 PolarHBondContact NE2-OE1 3.41Å; Q63-E67 PolarHBondContact O-N 3.33Å; Q63-E67 VanDerWaalsContact O-N 3.1Å; A64-E67 PolarHBondContact O-N 3.23Å; L65-E67 VanDerWaalsContact C-N 3.29Å; L65-E67 PolarHBondContact O-N 3.05Å; E67-L70 PolarHBondContact O-N 2.87Å; E67-E71 PolarHBondContact O-N 3.04Å |
| 68 | D | 92 | Very high | 91.2 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.064 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.5 | -36.5 | 179.9 | -75.7 | -33.8 | 0 | 0 | 0 | 112.1 | R23 L27 L30 A64 L65 F72 | R23-D68 IonicContact CZ-OD1 2.83Å; R23-D68 IonicContact NE-OD1 3.24Å; R23-D68 PolarHBondContact NE-OD1 2.98Å; R23-D68 VanDerWaalsContact NE-OD1 3.15Å; R23-D68 IonicContact NE-OD2 3.24Å; R23-D68 PolarHBondContact NE-OD2 3.41Å; R23-D68 IonicContact NH2-OD1 2.62Å; R23-D68 PolarHBondContact NH2-OD1 3.24Å; L27-D68 HydrophobicContact CD2-CB 4.29Å; L30-D68 HydrophobicContact CD1-CB 4.48Å; A64-D68 PolarHBondContact O-N 2.88Å; L65-D68 PolarHBondContact O-N 2.9Å; D68-F72 WeakPolarHBondContact O-CB 3.33Å; D68-F72 PolarHBondContact O-N 2.95Å |
| 69 | I | 92.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 173.4 | -71.5 | 164 | 0 | 0 | 0 | 110.6 | L30 L65 E71 F72 I73 L107 L138 M139 | L30-I69 HydrophobicContact CD2-CG1 4.33Å; L65-I69 HydrophobicContact CB-CD1 4.36Å; L65-I69 VanDerWaalsContact O-CB 3.25Å; L65-I69 WeakPolarHBondContact O-CB 3.3Å; L65-I69 WeakPolarHBondContact O-CD1 3.36Å; L65-I69 WeakPolarHBondContact O-CG1 3.49Å; L65-I69 PolarHBondContact O-N 2.99Å; I69-E71 VanDerWaalsContact C-N 3.34Å; I69-E71 PolarHBondContact O-N 2.79Å; I69-F72 PolarHBondContact O-N 3.26Å; I69-I73 HydrophobicContact CG2-CD1 3.67Å; I69-I73 HydrophobicContact CG2-CG1 4.44Å; I69-I73 WeakPolarHBondContact O-CB 3.16Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.35Å; I69-I73 PolarHBondContact O-N 3.31Å; I69-L107 HydrophobicContact CD1-CD2 4.36Å; I69-L107 HydrophobicContact CG1-CD2 4.37Å; I69-L138 HydrophobicContact CD1-CD2 4.02Å; I69-L138 HydrophobicContact CD1-CG 4.41Å; I69-M139 HydrophobicContact CD1-CG 3.71Å; I69-M139 HydrophobicContact CG1-CG 4.26Å; I69-M139 HydrophobicContact CG2-CG 4.2Å |
| 70 | L | 92.2 | Very high | 91.7 | Very high | 61 Ų | 61 | 47.3 Ų | 47.3 | 32% | 0.319 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 179 | -179.2 | 66.4 | 0 | 0 | 0 | 111.4 | K66 E67 I73 K74 T142 | K66-L70 VanDerWaalsContact O-CB 3.22Å; K66-L70 WeakPolarHBondContact O-CB 3.2Å; K66-L70 PolarHBondContact O-N 2.66Å; E67-L70 PolarHBondContact O-N 2.87Å; L70-I73 PolarHBondContact O-N 3.32Å; L70-K74 WeakPolarHBondContact O-CG 3.43Å; L70-K74 PolarHBondContact O-N 3.05Å; L70-T142 HydrophobicContact CB-CG2 4.43Å; L70-T142 HydrophobicContact CD1-CG2 3.67Å |
| 71 | E | 92 | Very high | 91.7 | Very high | 91 Ų | 91 | 48.4 Ų | 48.4 | 43% | 0.425 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 177.4 | -177.7 | 52.9 | -146.4 | 0 | 0 | 111.8 | E67 I69 I73 K74 Q75 | E67-E71 PolarHBondContact O-N 3.04Å; I69-E71 VanDerWaalsContact C-N 3.34Å; I69-E71 PolarHBondContact O-N 2.79Å; E71-I73 VanDerWaalsContact C-N 3.34Å; E71-I73 PolarHBondContact O-N 2.95Å; E71-K74 PolarHBondContact O-N 3.25Å; E71-Q75 WeakPolarHBondContact O-CG 3.42Å; E71-Q75 PolarHBondContact O-N 3.03Å; E71-Q75 VanDerWaalsContact O-N 3.13Å; E71-Q75 PolarHBondContact OE1-NE2 3.31Å; E71-Q75 VanDerWaalsContact OE1-NE2 3.1Å |
| 72 | F | 92.3 | Very high | 91.7 | Very high | 20 Ų | 20 | 52.2 Ų | 52.2 | 9% | 0.088 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 173.7 | 175.5 | -96.8 | 0 | 0 | 0 | 112.2 | L30 R31 D68 I69 Q75 A76 F100 | L30-F72 HydrophobicContact CB-CD2 4.09Å; L30-F72 HydrophobicContact CB-CE2 4.45Å; L30-F72 HydrophobicContact CB-CG 4.28Å; L30-F72 HydrophobicContact CD1-CB 4.4Å; L30-F72 HydrophobicContact CD2-CD1 4.35Å; L30-F72 HydrophobicContact CD2-CG 4.41Å; L30-F72 WeakPolarHBondContact O-CE2 3.32Å; L30-F72 VanDerWaalsContact O-CZ 3.22Å; L30-F72 WeakPolarHBondContact O-CZ 3.46Å; R31-F72 HydrophobicContact CG-CE2 4.49Å; D68-F72 WeakPolarHBondContact O-CB 3.33Å; D68-F72 PolarHBondContact O-N 2.95Å; I69-F72 PolarHBondContact O-N 3.26Å; F72-Q75 PolarHBondContact O-N 3.45Å; F72-A76 PolarHBondContact O-N 2.9Å; F72-F100 HydrophobicContact CE1-CD2 4.1Å |
| 73 | I | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67 | -37.2 | 179.6 | -70 | 171 | 0 | 0 | 0 | 111.2 | I69 L70 E71 Q75 A76 Q77 F100 T142 W143 I147 | I69-I73 HydrophobicContact CG2-CD1 3.67Å; I69-I73 HydrophobicContact CG2-CG1 4.44Å; I69-I73 WeakPolarHBondContact O-CB 3.16Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.35Å; I69-I73 PolarHBondContact O-N 3.31Å; L70-I73 PolarHBondContact O-N 3.32Å; E71-I73 VanDerWaalsContact C-N 3.34Å; E71-I73 PolarHBondContact O-N 2.95Å; I73-Q75 VanDerWaalsContact C-N 3.31Å; I73-Q75 PolarHBondContact O-N 3.44Å; I73-A76 PolarHBondContact O-N 3.34Å; I73-Q77 WeakPolarHBondContact O-CB 3.36Å; I73-Q77 PolarHBondContact O-N 3.45Å; I73-F100 HydrophobicContact CD1-CE2 3.95Å; I73-F100 HydrophobicContact CD1-CZ 4.34Å; I73-F100 HydrophobicContact CG1-CE2 4.17Å; I73-T142 HydrophobicContact CD1-CG2 3.52Å; I73-W143 HydrophobicContact CD1-CB 4.34Å; I73-W143 HydrophobicContact CG1-CE3 4.23Å; I73-I147 HydrophobicContact CG2-CD1 4Å; I73-I147 HydrophobicContact CG2-CG1 4.15Å |
| 74 | K | 92.1 | Very high | 91.4 | Very high | 99 Ų | 99 | 57.9 Ų | 57.9 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 173 | -77 | 176.1 | 179.7 | 175.8 | 0 | 112.4 | L70 E71 Q77 A78 | L70-K74 WeakPolarHBondContact O-CG 3.43Å; L70-K74 PolarHBondContact O-N 3.05Å; E71-K74 PolarHBondContact O-N 3.25Å; K74-Q77 WeakPolarHBondContact O-CB 3.37Å; K74-Q77 PolarHBondContact O-N 3.47Å; K74-A78 PolarHBondContact O-N 3.35Å |
| 75 | Q | 92.2 | Very high | 91.4 | Very high | 72 Ų | 72 | 61.8 Ų | 61.8 | 34% | 0.336 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 175.4 | -66.5 | 173.2 | 18.1 | 0 | 0 | 111.7 | E71 F72 I73 A78 R79 | E71-Q75 WeakPolarHBondContact O-CG 3.42Å; E71-Q75 PolarHBondContact O-N 3.03Å; E71-Q75 VanDerWaalsContact O-N 3.13Å; E71-Q75 PolarHBondContact OE1-NE2 3.31Å; E71-Q75 VanDerWaalsContact OE1-NE2 3.1Å; F72-Q75 PolarHBondContact O-N 3.45Å; I73-Q75 VanDerWaalsContact C-N 3.31Å; I73-Q75 PolarHBondContact O-N 3.44Å; Q75-A78 PolarHBondContact O-N 3.21Å; Q75-R79 PolarHBondContact O-N 3.13Å; Q75-R79 PolarHBondContact O-NH1 3.1Å |
| 76 | A | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F72 I73 A78 R79 V80 W143 I147 | F72-A76 PolarHBondContact O-N 2.9Å; I73-A76 PolarHBondContact O-N 3.34Å; A76-A78 VanDerWaalsContact C-N 3.33Å; A76-A78 PolarHBondContact O-N 3.42Å; A76-R79 PolarHBondContact O-N 3.01Å; A76-R79 VanDerWaalsContact O-N 3.14Å; A76-V80 WeakPolarHBondContact O-CG2 3.47Å; A76-V80 PolarHBondContact O-N 2.86Å; A76-W143 HydrophobicContact CB-CH2 4.37Å; A76-W143 HydrophobicContact CB-CZ3 4.05Å; A76-I147 HydrophobicContact CB-CD1 4.11Å |
| 77 | Q | 93.2 | Very high | 91.3 | Very high | 52 Ų | 52 | 62.7 Ų | 62.7 | 24% | 0.243 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.2 | -46.6 | 176 | -174.2 | -170 | 36.5 | 0 | 0 | 111.2 | I73 K74 R79 V80 L81 S146 I147 | I73-Q77 WeakPolarHBondContact O-CB 3.36Å; I73-Q77 PolarHBondContact O-N 3.45Å; K74-Q77 WeakPolarHBondContact O-CB 3.37Å; K74-Q77 PolarHBondContact O-N 3.47Å; Q77-R79 VanDerWaalsContact C-N 3.33Å; Q77-R79 PolarHBondContact O-N 2.96Å; Q77-V80 PolarHBondContact O-N 3.23Å; Q77-L81 HydrophobicContact CG-CD1 3.64Å; Q77-L81 HydrophobicContact CG-CG 4.18Å; Q77-L81 WeakPolarHBondContact O-CB 3.46Å; Q77-L81 WeakPolarHBondContact O-CG 3.42Å; Q77-L81 PolarHBondContact O-N 2.77Å; Q77-S146 PolarHBondContact NE2-O 2.79Å; Q77-I147 HydrophobicContact CB-CD1 4.02Å; Q77-I147 HydrophobicContact CB-CG1 3.76Å; Q77-I147 HydrophobicContact CG-CG1 4.05Å |
| 78 | A | 92.5 | Very high | 91.2 | Very high | 66 Ų | 66 | 59 Ų | 59 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K74 Q75 A76 S82 | K74-A78 PolarHBondContact O-N 3.35Å; Q75-A78 PolarHBondContact O-N 3.21Å; A76-A78 VanDerWaalsContact C-N 3.33Å; A76-A78 PolarHBondContact O-N 3.42Å; A78-S82 PolarHBondContact O-N 2.98Å |
| 79 | R | 92.2 | Very high | 91.3 | Very high | 98 Ų | 98 | 58.5 Ų | 58.5 | 37% | 0.37 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.9 | -35.3 | 176 | -69.9 | -170.4 | -66.5 | -82 | 2 | 113.1 | Q75 A76 Q77 S82 H83 E96 | Q75-R79 PolarHBondContact O-N 3.13Å; Q75-R79 PolarHBondContact O-NH1 3.1Å; A76-R79 PolarHBondContact O-N 3.01Å; A76-R79 VanDerWaalsContact O-N 3.14Å; Q77-R79 VanDerWaalsContact C-N 3.33Å; Q77-R79 PolarHBondContact O-N 2.96Å; R79-S82 PolarHBondContact O-OG 3.4Å; R79-H83 PolarHBondContact O-CD2 3.5Å; R79-E96 IonicContact CZ-OE2 2.88Å; R79-E96 VanDerWaalsContact NE-CD 3.3Å; R79-E96 IonicContact NE-OE1 2.74Å; R79-E96 PolarHBondContact NE-OE1 3.4Å; R79-E96 IonicContact NE-OE2 3.15Å; R79-E96 PolarHBondContact NE-OE2 3.33Å; R79-E96 IonicContact NH2-OE2 3.47Å; R79-E96 PolarHBondContact NH2-OE2 2.77Å |
| 80 | V | 91.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -74.3 | -49.6 | 178.2 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | A76 Q77 S82 H83 L89 Y93 E96 I147 I151 | A76-V80 WeakPolarHBondContact O-CG2 3.47Å; A76-V80 PolarHBondContact O-N 2.86Å; Q77-V80 PolarHBondContact O-N 3.23Å; V80-S82 VanDerWaalsContact C-N 3.25Å; V80-S82 PolarHBondContact O-N 3.18Å; V80-H83 PolarHBondContact O-N 2.87Å; V80-L89 HydrophobicContact CG1-CD1 3.75Å; V80-L89 WeakPolarHBondContact O-CD1 3.3Å; V80-Y93 HydrophobicContact CG1-CD2 4.38Å; V80-E96 HydrophobicContact CG2-CB 4.14Å; V80-E96 HydrophobicContact CG2-CG 4.06Å; V80-I147 HydrophobicContact CG1-CG2 4.5Å; V80-I151 HydrophobicContact CG1-CD1 3.82Å |
| 81 | L | 90.4 | Very high | 91.5 | Very high | 82 Ų | 82 | 61.3 Ų | 61.3 | 43% | 0.429 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -76.3 | -6.3 | -174.2 | -62.2 | -176.7 | 0 | 0 | 0 | 114.2 | Q77 H83 I151 | Q77-L81 HydrophobicContact CG-CD1 3.64Å; Q77-L81 HydrophobicContact CG-CG 4.18Å; Q77-L81 WeakPolarHBondContact O-CB 3.46Å; Q77-L81 WeakPolarHBondContact O-CG 3.42Å; Q77-L81 PolarHBondContact O-N 2.77Å; L81-H83 PolarHBondContact O-N 3.24Å; L81-I151 HydrophobicContact CD2-CG2 3.76Å |
| 82 | S | 90.8 | Very high | 91.6 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 57% | 0.566 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.5 | 170.4 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | A78 R79 V80 | A78-S82 PolarHBondContact O-N 2.98Å; R79-S82 PolarHBondContact O-OG 3.4Å; V80-S82 VanDerWaalsContact C-N 3.25Å; V80-S82 PolarHBondContact O-N 3.18Å |
| 83 | H | 89.1 | Confident | 91.7 | Very high | 78 Ų | 78 | 56.9 Ų | 56.9 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | trans | -96.7 | 116.2 | 179.6 | -64 | -77.3 | 0 | 0 | 0 | 111.3 | R79 V80 L81 A88 L89 A92 | R79-H83 PolarHBondContact O-CD2 3.5Å; V80-H83 PolarHBondContact O-N 2.87Å; L81-H83 PolarHBondContact O-N 3.24Å; H83-A88 HydrophobicContact CB-CB 4.02Å; H83-L89 HydrophobicContact CB-CB 4.45Å; H83-A92 VanDerWaalsContact CD2-CB 3.48Å; H83-A92 WeakPolarHBondContact CD2-CB 3.17Å | ||
| 84 | Q | 84.7 | Confident | 91.8 | Very high | 180 Ų | 180 | 57.1 Ų | 57.1 | 84% | 0.841 | 30% | 0.3 | S | S | * | . | trans | -82.2 | -35.1 | 176.3 | -67.5 | -171.6 | -3.3 | 0 | 0 | 113.1 | R154 | Q84-R154 PolarHBondContact O-NH2 3.08Š| ||
| 85 | D | 90.8 | Very high | 91.8 | Very high | 95 Ų | 95 | 56.1 Ų | 56.1 | 51% | 0.508 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -67.8 | 134.9 | 177 | 172.2 | 70.8 | 0 | 0 | 0 | 111.4 | T87 A88 L89 | D85-T87 VanDerWaalsContact C-N 3.3Å; D85-T87 PolarHBondContact O-N 3.41Å; D85-T87 WeakPolarHBondContact OD2-CA 3.44Å; D85-T87 WeakPolarHBondContact OD2-CB 3.5Å; D85-T87 PolarHBondContact OD2-N 3.31Å; D85-A88 HydrophobicContact CB-CB 4.18Å; D85-A88 PolarHBondContact O-N 2.8Å; D85-A88 PolarHBondContact OD2-N 2.95Å; D85-L89 VanDerWaalsContact O-CB 3.23Å; D85-L89 WeakPolarHBondContact O-CB 3.05Å; D85-L89 PolarHBondContact O-N 3.24Å |
| 86 | D | 90.1 | Very high | 91.9 | Very high | 48 Ų | 48 | 53.3 Ų | 53.3 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.9 | -34.2 | -176 | -80.8 | -15.3 | 0 | 0 | 0 | 113.3 | L90 R154 S158 | D86-L90 WeakPolarHBondContact O-CB 3.09Å; D86-L90 PolarHBondContact O-N 3.24Å; D86-R154 IonicContact OD1-CZ 3.92Å; D86-R154 VanDerWaalsContact OD1-CZ 3.24Å; D86-R154 IonicContact OD1-NE 3.96Å; D86-R154 PolarHBondContact OD1-NE 3.15Å; D86-R154 IonicContact OD1-NH2 2.7Å; D86-R154 PolarHBondContact OD1-NH2 3.34Å; D86-S158 WeakPolarHBondContact CB-OG 3.34Å |
| 87 | T | 89.4 | Confident | 92 | Very high | 72 Ų | 72 | 53.3 Ų | 53.3 | 44% | 0.442 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -74.9 | -44.4 | -179.5 | -51.9 | 0 | 0 | 0 | 0 | 110.7 | D85 L90 K91 | D85-T87 VanDerWaalsContact C-N 3.3Å; D85-T87 PolarHBondContact O-N 3.41Å; D85-T87 WeakPolarHBondContact OD2-CA 3.44Å; D85-T87 WeakPolarHBondContact OD2-CB 3.5Å; D85-T87 PolarHBondContact OD2-N 3.31Å; T87-L90 PolarHBondContact O-N 3.4Å; T87-K91 WeakPolarHBondContact O-CG 3.47Å; T87-K91 PolarHBondContact O-N 2.78Å; T87-K91 VanDerWaalsContact O-N 3.13Å |
| 88 | A | 91.8 | Very high | 91.9 | Very high | 32 Ų | 32 | 56.7 Ų | 56.7 | 26% | 0.264 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H83 D85 K91 A92 | H83-A88 HydrophobicContact CB-CB 4.02Å; D85-A88 HydrophobicContact CB-CB 4.18Å; D85-A88 PolarHBondContact O-N 2.8Å; D85-A88 PolarHBondContact OD2-N 2.95Å; A88-K91 PolarHBondContact O-N 3.49Å; A88-A92 WeakPolarHBondContact O-CB 3.36Å; A88-A92 PolarHBondContact O-N 3.42Å |
| 89 | L | 93.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.4 | -48.8 | 175 | -179.5 | 73.5 | 0 | 0 | 0 | 111.4 | V80 H83 D85 A92 Y93 R154 L155 | V80-L89 HydrophobicContact CG1-CD1 3.75Å; V80-L89 WeakPolarHBondContact O-CD1 3.3Å; H83-L89 HydrophobicContact CB-CB 4.45Å; D85-L89 VanDerWaalsContact O-CB 3.23Å; D85-L89 WeakPolarHBondContact O-CB 3.05Å; D85-L89 PolarHBondContact O-N 3.24Å; L89-A92 PolarHBondContact O-N 3.05Å; L89-Y93 WeakPolarHBondContact O-CB 3.42Å; L89-Y93 PolarHBondContact O-N 3.3Å; L89-R154 HydrophobicContact CD2-CB 4.23Å; L89-L155 HydrophobicContact CG-CD2 4.48Å |
| 90 | L | 93.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 178.1 | 176.7 | 60.6 | 0 | 0 | 0 | 111.6 | D86 T87 A92 Y93 I94 L155 L162 L176 V180 | D86-L90 WeakPolarHBondContact O-CB 3.09Å; D86-L90 PolarHBondContact O-N 3.24Å; T87-L90 PolarHBondContact O-N 3.4Å; L90-A92 PolarHBondContact O-N 3.15Å; L90-Y93 PolarHBondContact O-N 3.48Å; L90-I94 HydrophobicContact CD1-CD1 4.37Å; L90-I94 HydrophobicContact CD1-CG1 3.9Å; L90-I94 HydrophobicContact CG-CG1 4.47Å; L90-I94 WeakPolarHBondContact O-CG1 3.23Å; L90-I94 PolarHBondContact O-N 3Å; L90-L155 HydrophobicContact CB-CD2 4.31Å; L90-L155 HydrophobicContact CD1-CD2 3.89Å; L90-L162 HydrophobicContact CD2-CD1 3.73Å; L90-L176 HydrophobicContact CD2-CB 4.06Å; L90-L176 HydrophobicContact CG-CB 4.37Å; L90-L176 HydrophobicContact CG-CD2 4.35Å; L90-V180 HydrophobicContact CD1-CG2 3.47Å; L90-V180 VanDerWaalsContact CD1-CG2 3.47Å |
| 91 | K | 93.9 | Very high | 91.7 | Very high | 117 Ų | 117 | 54.7 Ų | 54.7 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 178.4 | -72.2 | 177.4 | -179.9 | 178.8 | 0 | 111.8 | T87 A88 I94 V95 L176 | T87-K91 WeakPolarHBondContact O-CG 3.47Å; T87-K91 PolarHBondContact O-N 2.78Å; T87-K91 VanDerWaalsContact O-N 3.13Å; A88-K91 PolarHBondContact O-N 3.49Å; K91-I94 PolarHBondContact O-N 3.41Å; K91-V95 WeakPolarHBondContact O-CG2 3.18Å; K91-V95 PolarHBondContact O-N 3.06Å; K91-V95 VanDerWaalsContact O-N 3.09Å; K91-L176 HydrophobicContact CG-CD1 4.34Å; K91-L176 HydrophobicContact CG-CD2 3.92Å |
| 92 | A | 94 | Very high | 91.7 | Very high | 17 Ų | 17 | 54 Ų | 54 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H83 A88 L89 L90 I94 V95 E96 | H83-A92 VanDerWaalsContact CD2-CB 3.48Å; H83-A92 WeakPolarHBondContact CD2-CB 3.17Å; A88-A92 WeakPolarHBondContact O-CB 3.36Å; A88-A92 PolarHBondContact O-N 3.42Å; L89-A92 PolarHBondContact O-N 3.05Å; L90-A92 PolarHBondContact O-N 3.15Å; A92-I94 PolarHBondContact O-N 2.5Å; A92-V95 PolarHBondContact O-N 3.49Å; A92-E96 PolarHBondContact O-N 2.94Å; A92-E96 VanDerWaalsContact O-N 3.13Å |
| 93 | Y | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 176.1 | 176 | -97.7 | 0 | 0 | 0 | 111.8 | V80 L89 L90 V95 E96 W97 W143 I147 F148 I151 L155 S183 | V80-Y93 HydrophobicContact CG1-CD2 4.38Å; L89-Y93 WeakPolarHBondContact O-CB 3.42Å; L89-Y93 PolarHBondContact O-N 3.3Å; L90-Y93 PolarHBondContact O-N 3.48Å; Y93-V95 VanDerWaalsContact C-N 3.35Å; Y93-V95 PolarHBondContact O-N 3.25Å; Y93-E96 PolarHBondContact O-N 3.26Å; Y93-W97 HydrophobicContact CD1-CB 4.42Å; Y93-W97 HydrophobicContact CE1-CB 4.03Å; Y93-W97 HydrophobicContact CE1-CG 4.25Å; Y93-W97 WeakPolarHBondContact O-CB 3.32Å; Y93-W97 PolarHBondContact O-N 3.27Å; Y93-W143 HydrophobicContact CD2-CZ2 4.22Å; Y93-W143 AromaticContact CE2-CE2 3.91Å; Y93-W143 AromaticContact CE2-CZ2 3.7Å; Y93-W143 HydrophobicContact CE2-CZ2 3.7Å; Y93-W143 AromaticContact CE2-NE1 3.54Å; Y93-W143 AromaticContact CZ-NE1 3.73Å; Y93-W143 PolarHBondContact OH-NE1 3.42Å; Y93-W143 VanDerWaalsContact OH-NE1 3.13Å; Y93-I147 HydrophobicContact CD2-CG2 3.91Å; Y93-I147 HydrophobicContact CE2-CG2 3.85Å; Y93-F148 HydrophobicContact CE2-CD2 4.38Å; Y93-F148 AromaticContact CZ-CD2 3.87Å; Y93-F148 WeakPolarHBondContact OH-CD2 3.27Å; Y93-I151 HydrophobicContact CD2-CD1 3.76Å; Y93-I151 HydrophobicContact CE2-CD1 4.32Å; Y93-I151 HydrophobicContact CG-CD1 4.37Å; Y93-L155 HydrophobicContact CD1-CD1 3.51Å; Y93-L155 HydrophobicContact CD1-CD2 4.14Å; Y93-L155 HydrophobicContact CD1-CG 4.47Å; Y93-L155 HydrophobicContact CD2-CD1 3.9Å; Y93-L155 HydrophobicContact CE1-CD1 3.66Å; Y93-L155 HydrophobicContact CE2-CD1 4.01Å; Y93-L155 HydrophobicContact CG-CD1 3.64Å; Y93-L155 HydrophobicContact CG-CD2 4.03Å; Y93-S183 WeakPolarHBondContact CE1-OG 3.34Å; Y93-S183 WeakPolarHBondContact OH-CB 3.47Å; Y93-S183 PolarHBondContact OH-OG 2.95Å |
| 94 | I | 94.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.8 | -36.9 | -176.4 | -64.5 | -69.8 | 0 | 0 | 0 | 111.8 | L90 K91 A92 R98 L176 V180 | L90-I94 HydrophobicContact CD1-CD1 4.37Å; L90-I94 HydrophobicContact CD1-CG1 3.9Å; L90-I94 HydrophobicContact CG-CG1 4.47Å; L90-I94 WeakPolarHBondContact O-CG1 3.23Å; L90-I94 PolarHBondContact O-N 3Å; K91-I94 PolarHBondContact O-N 3.41Å; A92-I94 PolarHBondContact O-N 2.5Å; I94-R98 HydrophobicContact CG2-CG 4.33Å; I94-R98 WeakPolarHBondContact O-CB 3.28Å; I94-R98 VanDerWaalsContact O-CG 3.25Å; I94-R98 WeakPolarHBondContact O-CG 3.39Å; I94-R98 PolarHBondContact O-N 3.31Å; I94-L176 HydrophobicContact CB-CD2 4.25Å; I94-L176 HydrophobicContact CG1-CD2 4.17Å; I94-L176 HydrophobicContact CG2-CD2 4.41Å; I94-V180 HydrophobicContact CD1-CG2 4.15Å |
| 95 | V | 93 | Very high | 91.7 | Very high | 77 Ų | 77 | 41.3 Ų | 41.3 | 47% | 0.467 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.1 | -47.7 | 174.1 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | K91 A92 Y93 K99 | K91-V95 WeakPolarHBondContact O-CG2 3.18Å; K91-V95 PolarHBondContact O-N 3.06Å; K91-V95 VanDerWaalsContact O-N 3.09Å; A92-V95 PolarHBondContact O-N 3.49Å; Y93-V95 VanDerWaalsContact C-N 3.35Å; Y93-V95 PolarHBondContact O-N 3.25Å; V95-K99 WeakPolarHBondContact O-CG 3.5Å; V95-K99 PolarHBondContact O-N 3.01Å |
| 96 | E | 93.2 | Very high | 91.6 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.5 | -39.8 | -179.8 | -65.6 | -60.5 | 132.2 | 0 | 0 | 112 | R79 V80 A92 Y93 K99 F100 W143 | R79-E96 IonicContact CZ-OE2 2.88Å; R79-E96 VanDerWaalsContact NE-CD 3.3Å; R79-E96 IonicContact NE-OE1 2.74Å; R79-E96 PolarHBondContact NE-OE1 3.4Å; R79-E96 IonicContact NE-OE2 3.15Å; R79-E96 PolarHBondContact NE-OE2 3.33Å; R79-E96 IonicContact NH2-OE2 3.47Å; R79-E96 PolarHBondContact NH2-OE2 2.77Å; V80-E96 HydrophobicContact CG2-CB 4.14Å; V80-E96 HydrophobicContact CG2-CG 4.06Å; A92-E96 PolarHBondContact O-N 2.94Å; A92-E96 VanDerWaalsContact O-N 3.13Å; Y93-E96 PolarHBondContact O-N 3.26Å; E96-K99 PolarHBondContact O-N 3.19Å; E96-K99 IonicContact OE1-NZ 3.4Å; E96-K99 PolarHBondContact OE1-NZ 3.31Å; E96-F100 VanDerWaalsContact O-CB 3.3Å; E96-F100 WeakPolarHBondContact O-CB 3.31Å; E96-F100 PolarHBondContact O-N 2.9Å; E96-W143 HydrophobicContact CB-CH2 3.92Å |
| 97 | W | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.7 | -47 | 175.7 | 174.9 | -113.1 | 0 | 0 | 0 | 111.8 | Y93 K99 F100 F101 L140 W143 N186 L187 | Y93-W97 HydrophobicContact CD1-CB 4.42Å; Y93-W97 HydrophobicContact CE1-CB 4.03Å; Y93-W97 HydrophobicContact CE1-CG 4.25Å; Y93-W97 WeakPolarHBondContact O-CB 3.32Å; Y93-W97 PolarHBondContact O-N 3.27Å; W97-K99 VanDerWaalsContact C-N 3.33Å; W97-K99 PolarHBondContact O-N 3.29Å; W97-F100 AromaticContact CE3-CD1 3.8Å; W97-F100 HydrophobicContact CE3-CD1 3.8Å; W97-F100 HydrophobicContact CE3-CE1 4.38Å; W97-F100 AromaticContact CZ3-CD1 3.68Å; W97-F100 HydrophobicContact CZ3-CD1 3.68Å; W97-F100 AromaticContact CZ3-CE1 3.81Å; W97-F100 HydrophobicContact CZ3-CE1 3.81Å; W97-F100 PolarHBondContact O-N 2.96Å; W97-F101 HydrophobicContact CD2-CB 4.5Å; W97-F101 AromaticContact CH2-CD2 3.95Å; W97-F101 HydrophobicContact CH2-CD2 3.95Å; W97-F101 HydrophobicContact CZ2-CB 4.45Å; W97-F101 AromaticContact CZ2-CD2 3.62Å; W97-F101 HydrophobicContact CZ2-CD2 3.62Å; W97-F101 HydrophobicContact CZ2-CE2 4.19Å; W97-F101 HydrophobicContact CZ2-CG 4.24Å; W97-F101 WeakPolarHBondContact O-CB 3.46Å; W97-F101 PolarHBondContact O-N 3.22Å; W97-L140 HydrophobicContact CH2-CD2 4.06Å; W97-W143 HydrophobicContact CB-CZ2 4.03Å; W97-W143 AromaticContact CE3-CD1 3.73Å; W97-W143 AromaticContact CE3-CD2 3.99Å; W97-W143 HydrophobicContact CE3-CD2 3.99Å; W97-W143 AromaticContact CE3-CE2 3.44Å; W97-W143 VanDerWaalsContact CE3-CE2 3.44Å; W97-W143 HydrophobicContact CE3-CG 4.17Å; W97-W143 AromaticContact CE3-CZ2 3.84Å; W97-W143 HydrophobicContact CE3-CZ2 3.84Å; W97-W143 AromaticContact CE3-NE1 3.23Å; W97-W143 AromaticContact CZ3-CD1 3.44Å; W97-W143 VanDerWaalsContact CZ3-CD1 3.44Å; W97-W143 HydrophobicContact CZ3-CD2 4.13Å; W97-W143 AromaticContact CZ3-CE2 3.95Å; W97-W143 AromaticContact CZ3-CG 3.85Å; W97-W143 HydrophobicContact CZ3-CG 3.85Å; W97-W143 AromaticContact CZ3-NE1 3.48Å; W97-N186 HydrophobicContact CZ2-CB 4.45Å; W97-L187 HydrophobicContact CH2-CD1 4.04Å; W97-L187 HydrophobicContact CH2-CD2 3.63Å; W97-L187 HydrophobicContact CH2-CG 3.72Å; W97-L187 HydrophobicContact CZ3-CD1 4.09Å; W97-L187 HydrophobicContact CZ3-CD2 3.79Å; W97-L187 HydrophobicContact CZ3-CG 4.14Å |
| 98 | R | 91.6 | Very high | 91.6 | Very high | 123 Ų | 123 | 33.6 Ų | 33.6 | 46% | 0.464 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.9 | -40 | 179.6 | -74 | 178.9 | 70.1 | -172.6 | 2.6 | 112.4 | I94 T102 | I94-R98 HydrophobicContact CG2-CG 4.33Å; I94-R98 WeakPolarHBondContact O-CB 3.28Å; I94-R98 VanDerWaalsContact O-CG 3.25Å; I94-R98 WeakPolarHBondContact O-CG 3.39Å; I94-R98 PolarHBondContact O-N 3.31Å; R98-T102 PolarHBondContact O-N 3.47Å; R98-T102 PolarHBondContact O-OG1 3.22Å |
| 99 | K | 90.2 | Very high | 91.5 | Very high | 84 Ų | 84 | 36.9 Ų | 36.9 | 37% | 0.365 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.2 | -49.3 | 174.7 | -69.6 | 172.6 | -171.1 | 170.4 | 0 | 110.5 | Q32 V95 E96 W97 Q103 | Q32-K99 PolarHBondContact NE2-O 3.34Å; V95-K99 WeakPolarHBondContact O-CG 3.5Å; V95-K99 PolarHBondContact O-N 3.01Å; E96-K99 PolarHBondContact O-N 3.19Å; E96-K99 IonicContact OE1-NZ 3.4Å; E96-K99 PolarHBondContact OE1-NZ 3.31Å; W97-K99 VanDerWaalsContact C-N 3.33Å; W97-K99 PolarHBondContact O-N 3.29Å; K99-Q103 PolarHBondContact O-N 3.06Å |
| 100 | F | 92.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -45.8 | -179.2 | 172.2 | -100.9 | 0 | 0 | 0 | 112.9 | F72 I73 E96 W97 T102 Q103 C104 M139 L140 W143 | F72-F100 HydrophobicContact CE1-CD2 4.1Å; I73-F100 HydrophobicContact CD1-CE2 3.95Å; I73-F100 HydrophobicContact CD1-CZ 4.34Å; I73-F100 HydrophobicContact CG1-CE2 4.17Å; E96-F100 VanDerWaalsContact O-CB 3.3Å; E96-F100 WeakPolarHBondContact O-CB 3.31Å; E96-F100 PolarHBondContact O-N 2.9Å; W97-F100 AromaticContact CE3-CD1 3.8Å; W97-F100 HydrophobicContact CE3-CD1 3.8Å; W97-F100 HydrophobicContact CE3-CE1 4.38Å; W97-F100 AromaticContact CZ3-CD1 3.68Å; W97-F100 HydrophobicContact CZ3-CD1 3.68Å; W97-F100 AromaticContact CZ3-CE1 3.81Å; W97-F100 HydrophobicContact CZ3-CE1 3.81Å; W97-F100 PolarHBondContact O-N 2.96Å; F100-T102 VanDerWaalsContact C-N 3.34Å; F100-T102 PolarHBondContact O-N 3.46Å; F100-Q103 CarbonylContact O-C 3.6Å; F100-Q103 WeakPolarHBondContact O-CA 3.43Å; F100-Q103 WeakPolarHBondContact O-CB 3.29Å; F100-Q103 PolarHBondContact O-N 2.97Å; F100-C104 WeakPolarHBondContact CE1-SG 3.5Å; F100-C104 VanDerWaalsContact CZ-SG 3.54Å; F100-C104 PolarHBondContact O-N 3.44Å; F100-C104 PolarHBondContact O-SG 3.02Å; F100-C104 VanDerWaalsContact O-SG 3.39Å; F100-M139 HydrophobicContact CD2-CE 4.28Å; F100-M139 HydrophobicContact CE2-CB 4.11Å; F100-M139 HydrophobicContact CE2-CE 3.79Å; F100-M139 HydrophobicContact CZ-CB 3.76Å; F100-M139 HydrophobicContact CZ-CE 4.38Å; F100-M139 WeakPolarHBondContact CZ-O 3.42Å; F100-L140 HydrophobicContact CE1-CD2 4.3Å; F100-W143 HydrophobicContact CB-CE3 3.92Å; F100-W143 HydrophobicContact CB-CH2 4.07Å; F100-W143 HydrophobicContact CB-CZ3 3.56Å; F100-W143 HydrophobicContact CD1-CB 4.38Å; F100-W143 AromaticContact CD1-CD2 3.71Å; F100-W143 HydrophobicContact CD1-CD2 3.71Å; F100-W143 AromaticContact CD1-CE3 3.49Å; F100-W143 HydrophobicContact CD1-CE3 3.49Å; F100-W143 VanDerWaalsContact CD1-CE3 3.49Å; F100-W143 HydrophobicContact CD1-CG 4.09Å; F100-W143 HydrophobicContact CD1-CZ3 4.03Å; F100-W143 AromaticContact CD2-CE3 3.65Å; F100-W143 HydrophobicContact CD2-CE3 3.65Å; F100-W143 AromaticContact CD2-CZ3 3.98Å; F100-W143 HydrophobicContact CD2-CZ3 3.98Å; F100-W143 HydrophobicContact CE1-CB 3.61Å; F100-W143 AromaticContact CE1-CD2 3.86Å; F100-W143 HydrophobicContact CE1-CD2 3.86Å; F100-W143 AromaticContact CE1-CE3 3.84Å; F100-W143 HydrophobicContact CE1-CE3 3.84Å; F100-W143 AromaticContact CE1-CG 3.78Å; F100-W143 HydrophobicContact CE1-CG 3.78Å; F100-W143 AromaticContact CE2-CE3 3.98Å; F100-W143 HydrophobicContact CE2-CE3 3.98Å; F100-W143 HydrophobicContact CG-CD2 4.09Å; F100-W143 AromaticContact CG-CE3 3.38Å; F100-W143 HydrophobicContact CG-CE3 3.38Å; F100-W143 HydrophobicContact CG-CH2 4.4Å; F100-W143 AromaticContact CG-CZ3 3.57Å; F100-W143 HydrophobicContact CG-CZ3 3.57Å; F100-W143 HydrophobicContact CZ-CB 3.7Å; F100-W143 HydrophobicContact CZ-CD2 4.37Å; F100-W143 HydrophobicContact CZ-CE3 4.06Å; F100-W143 HydrophobicContact CZ-CG 4.26Å |
| 101 | F | 90.5 | Very high | 91.1 | Very high | 37 Ų | 37 | 36.8 Ų | 36.8 | 16% | 0.162 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -40.2 | -178.8 | -168.2 | -108.1 | 0 | 0 | 0 | 111.5 | W97 Q103 C104 N186 | W97-F101 HydrophobicContact CD2-CB 4.5Å; W97-F101 AromaticContact CH2-CD2 3.95Å; W97-F101 HydrophobicContact CH2-CD2 3.95Å; W97-F101 HydrophobicContact CZ2-CB 4.45Å; W97-F101 AromaticContact CZ2-CD2 3.62Å; W97-F101 HydrophobicContact CZ2-CD2 3.62Å; W97-F101 HydrophobicContact CZ2-CE2 4.19Å; W97-F101 HydrophobicContact CZ2-CG 4.24Å; W97-F101 WeakPolarHBondContact O-CB 3.46Å; W97-F101 PolarHBondContact O-N 3.22Å; F101-Q103 PolarHBondContact O-N 2.99Å; F101-C104 VanDerWaalsContact O-CB 3.31Å; F101-C104 WeakPolarHBondContact O-CB 3.36Å; F101-C104 PolarHBondContact O-N 3.47Å; F101-C104 VanDerWaalsContact O-N 3.08Å; F101-N186 HydrophobicContact CE2-CB 3.8Å; F101-N186 WeakPolarHBondContact CE2-ND2 3.33Å; F101-N186 HydrophobicContact CZ-CB 4.46Å; F101-N186 WeakPolarHBondContact CZ-ND2 3.41Å |
| 102 | T | 89.2 | Confident | 90.6 | Very high | 68 Ų | 68 | 33.6 Ų | 33.6 | 42% | 0.417 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56.8 | -39.5 | 170.5 | -57 | 0 | 0 | 0 | 0 | 111.8 | R98 F100 C104 D105 I106 | R98-T102 PolarHBondContact O-N 3.47Å; R98-T102 PolarHBondContact O-OG1 3.22Å; F100-T102 VanDerWaalsContact C-N 3.34Å; F100-T102 PolarHBondContact O-N 3.46Å; T102-C104 VanDerWaalsContact C-N 3.35Å; T102-D105 PolarHBondContact O-N 3.39Å; T102-I106 HydrophobicContact CG2-CD1 3.91Å; T102-I106 WeakPolarHBondContact O-CG1 3.29Å; T102-I106 PolarHBondContact O-N 3.34Å |
| 103 | Q | 89.6 | Confident | 90.1 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73 | -25.7 | 178.1 | -66.7 | -49.7 | -45.8 | 0 | 0 | 113.3 | L29 Q32 K99 F100 F101 D105 I106 L107 M139 | L29-Q103 PolarHBondContact O-OE1 3.02Å; Q32-Q103 HydrophobicContact CG-CG 4.03Å; K99-Q103 PolarHBondContact O-N 3.06Å; F100-Q103 CarbonylContact O-C 3.6Å; F100-Q103 WeakPolarHBondContact O-CA 3.43Å; F100-Q103 WeakPolarHBondContact O-CB 3.29Å; F100-Q103 PolarHBondContact O-N 2.97Å; F101-Q103 PolarHBondContact O-N 2.99Å; Q103-D105 PolarHBondContact O-N 3.18Å; Q103-I106 PolarHBondContact O-N 2.94Å; Q103-I106 VanDerWaalsContact O-N 3.16Å; Q103-L107 VanDerWaalsContact O-CB 3.32Å; Q103-L107 WeakPolarHBondContact O-CB 3.44Å; Q103-L107 PolarHBondContact O-N 2.7Å; Q103-M139 HydrophobicContact CB-CE 4.14Å |
| 104 | C | 89.4 | Confident | 89.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -20.5 | 172.9 | -66.5 | 0 | 0 | 0 | 0 | 113 | F100 F101 T102 P108 R136 | F100-C104 WeakPolarHBondContact CE1-SG 3.5Å; F100-C104 VanDerWaalsContact CZ-SG 3.54Å; F100-C104 PolarHBondContact O-N 3.44Å; F100-C104 PolarHBondContact O-SG 3.02Å; F100-C104 VanDerWaalsContact O-SG 3.39Å; F101-C104 VanDerWaalsContact O-CB 3.31Å; F101-C104 WeakPolarHBondContact O-CB 3.36Å; F101-C104 PolarHBondContact O-N 3.47Å; F101-C104 VanDerWaalsContact O-N 3.08Å; T102-C104 VanDerWaalsContact C-N 3.35Å; C104-P108 VanDerWaalsContact O-CD 3.24Å; C104-P108 WeakPolarHBondContact O-CD 3.15Å; C104-P108 WeakPolarHBondContact O-CG 3.22Å; C104-R136 HydrophobicContact CB-CG 4.28Å |
| 105 | D | 86.6 | Confident | 88.8 | Confident | 64 Ų | 64 | 36 Ų | 36 | 34% | 0.342 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -96.7 | -21.5 | 175.9 | -64.3 | -26.3 | 0 | 0 | 0 | 112.9 | T102 Q103 K109 R136 | T102-D105 PolarHBondContact O-N 3.39Å; Q103-D105 PolarHBondContact O-N 3.18Å; D105-K109 WeakPolarHBondContact O-CE 3.17Å; D105-R136 IonicContact OD1-NE 3.17Å |
| 106 | I | 88.4 | Confident | 88.2 | Confident | 51 Ų | 51 | 37.1 Ų | 37.1 | 26% | 0.262 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -94.2 | -51.9 | -176.6 | -63.8 | 172.1 | 0 | 0 | 0 | 111 | L29 W40 T102 Q103 K109 | L29-I106 HydrophobicContact CD2-CG2 4.32Å; W40-I106 HydrophobicContact CH2-CG2 3.71Å; W40-I106 HydrophobicContact CZ3-CG2 4.18Å; T102-I106 HydrophobicContact CG2-CD1 3.91Å; T102-I106 WeakPolarHBondContact O-CG1 3.29Å; T102-I106 PolarHBondContact O-N 3.34Å; Q103-I106 PolarHBondContact O-N 2.94Å; Q103-I106 VanDerWaalsContact O-N 3.16Å; I106-K109 PolarHBondContact O-N 2.77Å |
| 107 | L | 90 | Very high | 87.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -36.9 | -172.5 | -177.7 | 63.3 | 0 | 0 | 0 | 113.3 | V26 L29 L30 I69 Q103 K109 P110 F111 V135 M139 | V26-L107 HydrophobicContact CG1-CD1 4.23Å; L29-L107 HydrophobicContact CB-CD1 4.28Å; L29-L107 HydrophobicContact CD1-CD1 4.16Å; L30-L107 HydrophobicContact CD2-CD2 3.63Å; L30-L107 HydrophobicContact CG-CD2 4.07Å; I69-L107 HydrophobicContact CD1-CD2 4.36Å; I69-L107 HydrophobicContact CG1-CD2 4.37Å; Q103-L107 VanDerWaalsContact O-CB 3.32Å; Q103-L107 WeakPolarHBondContact O-CB 3.44Å; Q103-L107 PolarHBondContact O-N 2.7Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.3Å; L107-P110 WeakPolarHBondContact O-CD 3.28Å; L107-F111 HydrophobicContact CD1-CE2 3.98Å; L107-F111 VanDerWaalsContact O-CD2 3.23Å; L107-F111 WeakPolarHBondContact O-CD2 3.47Å; L107-V135 HydrophobicContact CD2-CG1 4.49Å; L107-V135 HydrophobicContact CG-CG1 4.38Å; L107-M139 HydrophobicContact CB-CE 4.49Å; L107-M139 HydrophobicContact CB-SD 4.14Å; L107-M139 HydrophobicContact CD2-CE 4.05Å; L107-M139 HydrophobicContact CD2-SD 3.78Å; L107-M139 HydrophobicContact CG-SD 4.4Å |
| 108 | P | 89.8 | Confident | 87.1 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -26.4 | 177.8 | -31.2 | 40 | 0 | 0 | 0 | 116 | C104 F111 C112 S133 V135 R136 | C104-P108 VanDerWaalsContact O-CD 3.24Å; C104-P108 WeakPolarHBondContact O-CD 3.15Å; C104-P108 WeakPolarHBondContact O-CG 3.22Å; P108-F111 WeakPolarHBondContact O-CA 3.48Å; P108-F111 PolarHBondContact O-N 3.24Å; P108-C112 PolarHBondContact O-N 3.45Å; P108-S133 WeakPolarHBondContact CB-OG 3.25Å; P108-V135 HydrophobicContact CB-CB 4.37Å; P108-V135 HydrophobicContact CG-CB 4.33Å; P108-V135 HydrophobicContact CG-CG1 4.3Å; P108-R136 HydrophobicContact CG-CB 3.88Å |
| 109 | K | 88.8 | Confident | 86.1 | Confident | 100 Ų | 100 | 42.3 Ų | 42.3 | 44% | 0.435 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -58 | -45.8 | -168.5 | -62.1 | 179 | 174.4 | 174.2 | 0 | 114 | W40 F44 D105 I106 L107 F111 C112 | W40-K109 HydrophobicContact CZ2-CB 4.18Å; W40-K109 HydrophobicContact CZ2-CD 4.43Å; F44-K109 WeakPolarHBondContact CE1-O 3.39Å; F44-K109 HydrophobicContact CZ-CB 3.94Å; F44-K109 VanDerWaalsContact CZ-O 3.25Å; F44-K109 WeakPolarHBondContact CZ-O 3.37Å; D105-K109 WeakPolarHBondContact O-CE 3.17Å; I106-K109 PolarHBondContact O-N 2.77Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.3Å; K109-F111 PolarHBondContact O-N 3.02Å; K109-C112 PolarHBondContact O-SG 3.13Å |
| 110 | P | 88.6 | Confident | 84.9 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -67.4 | -16.1 | 176.5 | -16.2 | 31.9 | 0 | 0 | 0 | 113.8 | W40 L43 F44 V47 L107 | W40-P110 HydrophobicContact CH2-CG 3.71Å; W40-P110 HydrophobicContact CZ2-CG 4.01Å; W40-P110 HydrophobicContact CZ3-CG 3.99Å; L43-P110 HydrophobicContact CD2-CB 3.75Å; L43-P110 HydrophobicContact CD2-CG 3.64Å; L43-P110 HydrophobicContact CG-CB 3.74Å; L43-P110 HydrophobicContact CG-CG 4.2Å; F44-P110 HydrophobicContact CD2-CB 3.74Å; F44-P110 HydrophobicContact CD2-CG 4.03Å; F44-P110 HydrophobicContact CE2-CB 3.73Å; F44-P110 HydrophobicContact CE2-CG 3.61Å; F44-P110 HydrophobicContact CG-CB 4.21Å; F44-P110 VanDerWaalsContact CZ-CA 3.5Å; F44-P110 HydrophobicContact CZ-CB 4.22Å; F44-P110 HydrophobicContact CZ-CG 4.2Å; V47-P110 WeakPolarHBondContact CG1-O 3.44Å; L107-P110 WeakPolarHBondContact O-CD 3.28Å |
| 111 | F | 90.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -101.5 | 10.7 | -174.8 | -60.4 | -80.9 | 0 | 0 | 0 | 114.2 | V26 L43 V47 I61 L65 L107 P108 K109 Q113 L114 E115 V135 | V26-F111 HydrophobicContact CG2-CE2 4.41Å; V26-F111 HydrophobicContact CG2-CZ 3.85Å; L43-F111 HydrophobicContact CD1-CZ 4.41Å; V47-F111 HydrophobicContact CG1-CD1 3.88Å; V47-F111 HydrophobicContact CG1-CE1 4.41Å; V47-F111 HydrophobicContact CG2-CD1 3.79Å; V47-F111 HydrophobicContact CG2-CE1 3.5Å; V47-F111 VanDerWaalsContact CG2-CE1 3.5Å; V47-F111 HydrophobicContact CG2-CZ 4.21Å; I61-F111 HydrophobicContact CG2-CD1 3.96Å; I61-F111 HydrophobicContact CG2-CE1 3.79Å; L65-F111 HydrophobicContact CD1-CD1 3.72Å; L65-F111 HydrophobicContact CD1-CD2 4.35Å; L65-F111 HydrophobicContact CD1-CE1 3.66Å; L65-F111 HydrophobicContact CD1-CE2 4.31Å; L65-F111 HydrophobicContact CD1-CG 4.08Å; L65-F111 HydrophobicContact CD1-CZ 3.98Å; L65-F111 HydrophobicContact CD2-CE1 4.1Å; L65-F111 HydrophobicContact CD2-CE2 4.06Å; L65-F111 HydrophobicContact CD2-CZ 3.67Å; L65-F111 HydrophobicContact CG-CE1 4.24Å; L65-F111 HydrophobicContact CG-CZ 4.3Å; L107-F111 HydrophobicContact CD1-CE2 3.98Å; L107-F111 VanDerWaalsContact O-CD2 3.23Å; L107-F111 WeakPolarHBondContact O-CD2 3.47Å; P108-F111 WeakPolarHBondContact O-CA 3.48Å; P108-F111 PolarHBondContact O-N 3.24Å; K109-F111 PolarHBondContact O-N 3.02Å; F111-Q113 PolarHBondContact O-N 3.24Å; F111-Q113 VanDerWaalsContact O-N 3.15Å; F111-L114 HydrophobicContact CB-CB 4.25Å; F111-L114 HydrophobicContact CB-CD2 4.36Å; F111-L114 HydrophobicContact CD1-CD2 4.17Å; F111-L114 WeakPolarHBondContact O-CB 3.08Å; F111-L114 PolarHBondContact O-N 2.95Å; F111-E115 PolarHBondContact O-N 3.27Å; F111-V135 HydrophobicContact CB-CG2 3.84Å; F111-V135 HydrophobicContact CG-CG2 4.29Å |
| 112 | C | 83.9 | Confident | 80.9 | Confident | 51 Ų | 51 | 57.6 Ų | 57.6 | 35% | 0.345 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -55.4 | -35.2 | 175.6 | -65.2 | 0 | 0 | 0 | 0 | 112.9 | P108 K109 L114 E115 I116 | P108-C112 PolarHBondContact O-N 3.45Å; K109-C112 PolarHBondContact O-SG 3.13Å; C112-L114 VanDerWaalsContact C-N 3.34Å; C112-L114 PolarHBondContact O-N 3.14Å; C112-E115 PolarHBondContact O-N 2.98Å; C112-I116 WeakPolarHBondContact O-CG1 3.39Å; C112-I116 PolarHBondContact O-N 3.37Å |
| 113 | Q | 83.1 | Confident | 79 | Confident | 53 Ų | 53 | 56 Ų | 56 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.8 | -33.8 | 177.2 | -172.8 | 58.4 | 41.7 | 0 | 0 | 112.7 | H48 C51 F111 E115 I116 T117 | H48-Q113 HydrophobicContact CB-CG 4.37Å; C51-Q113 HydrophobicContact CB-CG 3.92Å; F111-Q113 PolarHBondContact O-N 3.24Å; F111-Q113 VanDerWaalsContact O-N 3.15Å; Q113-E115 VanDerWaalsContact C-N 3.28Å; Q113-E115 PolarHBondContact O-N 3.17Å; Q113-I116 PolarHBondContact O-N 2.82Å; Q113-T117 PolarHBondContact NE2-OG1 3.26Å; Q113-T117 WeakPolarHBondContact O-CB 3.47Å; Q113-T117 PolarHBondContact O-N 3.24Å; Q113-T117 VanDerWaalsContact O-N 3.09Å; Q113-T117 PolarHBondContact O-OG1 3.35Å |
| 114 | L | 84.8 | Confident | 76.9 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60 | -43.4 | 174.5 | 177 | 68.4 | 0 | 0 | 0 | 110.3 | P58 I61 H62 L65 F111 C112 T117 L118 V135 | P58-L114 VanDerWaalsContact CA-CD1 3.49Å; P58-L114 HydrophobicContact CB-CD1 3.77Å; P58-L114 VanDerWaalsContact O-CD1 3.26Å; P58-L114 WeakPolarHBondContact O-CD1 3.49Å; I61-L114 HydrophobicContact CB-CD1 4.22Å; I61-L114 HydrophobicContact CG2-CD1 4.27Å; I61-L114 HydrophobicContact CG2-CD2 3.82Å; H62-L114 HydrophobicContact CB-CD2 4.45Å; L65-L114 HydrophobicContact CD1-CD2 4.13Å; F111-L114 HydrophobicContact CB-CB 4.25Å; F111-L114 HydrophobicContact CB-CD2 4.36Å; F111-L114 HydrophobicContact CD1-CD2 4.17Å; F111-L114 WeakPolarHBondContact O-CB 3.08Å; F111-L114 PolarHBondContact O-N 2.95Å; C112-L114 VanDerWaalsContact C-N 3.34Å; C112-L114 PolarHBondContact O-N 3.14Å; L114-T117 PolarHBondContact O-N 2.79Å; L114-L118 HydrophobicContact CD1-CD1 3.9Å; L114-L118 HydrophobicContact CD1-CG 4.18Å; L114-L118 HydrophobicContact CG-CD1 3.88Å; L114-L118 HydrophobicContact CG-CG 4.45Å; L114-L118 WeakPolarHBondContact O-CB 3.38Å; L114-L118 WeakPolarHBondContact O-CG 3.28Å; L114-L118 PolarHBondContact O-N 3.28Å; L114-V135 HydrophobicContact CD2-CG2 4.47Å |
| 115 | E | 78.6 | Confident | 74.8 | Confident | 17 Ų | 17 | 67.8 Ų | 67.8 | 8% | 0.079 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | -179.6 | -61.9 | 176.3 | 169.1 | 0 | 0 | 112 | F111 C112 Q113 T117 L118 M119 S133 I134 | F111-E115 PolarHBondContact O-N 3.27Å; C112-E115 PolarHBondContact O-N 2.98Å; Q113-E115 VanDerWaalsContact C-N 3.28Å; Q113-E115 PolarHBondContact O-N 3.17Å; E115-T117 PolarHBondContact O-N 3.07Å; E115-L118 PolarHBondContact O-N 3.44Å; E115-M119 WeakPolarHBondContact O-CB 3.46Å; E115-M119 VanDerWaalsContact O-CG 3.25Å; E115-M119 WeakPolarHBondContact O-CG 3.34Å; E115-M119 PolarHBondContact O-N 2.94Å; E115-S133 WeakPolarHBondContact OE1-CA 3.18Å; E115-S133 WeakPolarHBondContact OE1-CB 3.13Å; E115-S133 PolarHBondContact OE1-OG 2.92Å; E115-I134 HydrophobicContact CG-CB 4.26Å; E115-I134 HydrophobicContact CG-CD1 4.44Å; E115-I134 HydrophobicContact CG-CG1 4.33Å; E115-I134 PolarHBondContact OE1-N 3.18Å |
| 116 | I | 80.1 | Confident | 72.9 | Confident | 102 Ų | 102 | 73.4 Ų | 73.4 | 52% | 0.523 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.1 | -39.9 | 175.9 | -65.3 | 166.7 | 0 | 0 | 0 | 110.7 | C112 Q113 G120 | C112-I116 WeakPolarHBondContact O-CG1 3.39Å; C112-I116 PolarHBondContact O-N 3.37Å; Q113-I116 PolarHBondContact O-N 2.82Å; I116-G120 PolarHBondContact O-N 3.47Å |
| 117 | T | 82.1 | Confident | 70.9 | Confident | 53 Ų | 53 | 80.9 Ų | 80.9 | 33% | 0.325 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -74.2 | -42.3 | -176.7 | -49.3 | 0 | 0 | 0 | 0 | 111.6 | P58 Q113 L114 E115 | P58-T117 HydrophobicContact CB-CG2 4.27Å; P58-T117 HydrophobicContact CG-CG2 3.59Å; Q113-T117 PolarHBondContact NE2-OG1 3.26Å; Q113-T117 WeakPolarHBondContact O-CB 3.47Å; Q113-T117 PolarHBondContact O-N 3.24Å; Q113-T117 VanDerWaalsContact O-N 3.09Å; Q113-T117 PolarHBondContact O-OG1 3.35Å; L114-T117 PolarHBondContact O-N 2.79Å; E115-T117 PolarHBondContact O-N 3.07Å |
| 118 | L | 80.7 | Confident | 68.9 | Low | 76 Ų | 76 | 85 Ų | 85 | 40% | 0.398 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -73 | -32.5 | 178.9 | -71.1 | 176.6 | 0 | 0 | 0 | 113.4 | P58 H62 L114 E115 I134 | P58-L118 HydrophobicContact CB-CD2 3.92Å; P58-L118 HydrophobicContact CB-CG 4.28Å; H62-L118 HydrophobicContact CB-CD1 4.2Å; L114-L118 HydrophobicContact CD1-CD1 3.9Å; L114-L118 HydrophobicContact CD1-CG 4.18Å; L114-L118 HydrophobicContact CG-CD1 3.88Å; L114-L118 HydrophobicContact CG-CG 4.45Å; L114-L118 WeakPolarHBondContact O-CB 3.38Å; L114-L118 WeakPolarHBondContact O-CG 3.28Å; L114-L118 PolarHBondContact O-N 3.28Å; E115-L118 PolarHBondContact O-N 3.44Å; L118-I134 HydrophobicContact CB-CD1 4.17Å; L118-I134 HydrophobicContact CD1-CD1 4.42Å |
| 119 | M | 70.7 | Confident | 67.3 | Low | 115 Ų | 115 | 89.8 Ų | 89.8 | 57% | 0.567 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -82.3 | -10.2 | -179 | -65.9 | -177.1 | 77.4 | 0 | 0 | 114 | E115 I134 | E115-M119 WeakPolarHBondContact O-CB 3.46Å; E115-M119 VanDerWaalsContact O-CG 3.25Å; E115-M119 WeakPolarHBondContact O-CG 3.34Å; E115-M119 PolarHBondContact O-N 2.94Å; M119-I134 HydrophobicContact CG-CD1 3.92Å; M119-I134 HydrophobicContact SD-CD1 4.43Å |
| 120 | G | 65.1 | Low | 65.8 | Low | 39 Ų | 39 | 88.2 Ų | 88.2 | 40% | 0.402 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | 65.3 | 179.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | I116 Q122 G123 | I116-G120 PolarHBondContact O-N 3.47Å; G120-Q122 PolarHBondContact O-N 2.79Å; G120-G123 PolarHBondContact O-N 3.13Å; G120-G123 VanDerWaalsContact O-N 3.15Å |
| 121 | K | 50.1 | Low | 64.4 | Low | 209 Ų | 209 | 92.2 Ų | 92.2 | 91% | 0.909 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -60.6 | -1.8 | -174.1 | -76.7 | -175.6 | 178.5 | 179.4 | 0 | 115.8 | ||
| 122 | Q | 49.2 | Very low | 63.2 | Low | 196 Ų | 196 | 97.4 Ų | 97.4 | 92% | 0.916 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -85 | -11.5 | 175 | -69.3 | -168.5 | -4.9 | 0 | 0 | 113.6 | G120 | G120-Q122 PolarHBondContact O-N 2.79Š|
| 123 | G | 50 | Low | 63 | Low | 34 Ų | 34 | 95.1 Ų | 95.1 | 35% | 0.351 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -92.3 | -9.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | G120 N125 K126 | G120-G123 PolarHBondContact O-N 3.13Å; G120-G123 VanDerWaalsContact O-N 3.15Å; G123-N125 VanDerWaalsContact C-N 3.26Å; G123-N125 PolarHBondContact O-N 2.89Å; G123-K126 PolarHBondContact O-N 3.4Å |
| 124 | S | 45.8 | Very low | 63 | Low | 95 Ų | 95 | 94.8 Ų | 94.8 | 66% | 0.664 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -8.3 | -161.7 | 66.6 | 0 | 0 | 0 | 0 | 116.6 | ||
| 125 | N | 44.1 | Very low | 63.1 | Low | 160 Ų | 160 | 94.7 Ų | 94.7 | 86% | 0.856 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 0.6 | -177.5 | -85 | -0.4 | 0 | 0 | 0 | 114.9 | G123 | G123-N125 VanDerWaalsContact C-N 3.26Å; G123-N125 PolarHBondContact O-N 2.89Å |
| 126 | K | 47.1 | Very low | 63.6 | Low | 182 Ų | 182 | 95 Ų | 95 | 79% | 0.791 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -98.9 | 121.7 | 171.6 | -78.6 | -176.9 | 175.4 | -179.3 | 0 | 108.7 | G123 S128 | G123-K126 PolarHBondContact O-N 3.4Å; K126-S128 PolarHBondContact O-N 3.02Å |
| 127 | K | 45.7 | Very low | 63.9 | Low | 209 Ų | 209 | 96.2 Ų | 96.2 | 91% | 0.909 | 50% | 0.502 | S | S | * | . | trans | -49.8 | 109.7 | 163.5 | -78.7 | -180 | 174.9 | 176.8 | 0 | 106.8 | N129 | K127-N129 PolarHBondContact O-N 3.01Š| ||
| 128 | S | 48.5 | Very low | 64.2 | Low | 87 Ų | 87 | 94.7 Ų | 94.7 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | trans | -62.5 | 101.7 | -178 | 55.5 | 0 | 0 | 0 | 0 | 108.4 | K126 | K126-S128 PolarHBondContact O-N 3.02Š| ||
| 129 | N | 56 | Low | 64.7 | Low | 103 Ų | 103 | 91.1 Ų | 91.1 | 55% | 0.551 | 47% | 0.473 | S | S | * | . | trans | -74.1 | 135.7 | 172.2 | -151.3 | 8.7 | 0 | 0 | 0 | 107 | K127 E131 D132 | K127-N129 PolarHBondContact O-N 3.01Å; N129-E131 PolarHBondContact O-N 2.93Å; N129-D132 PolarHBondContact O-N 2.69Å | ||
| 130 | V | 57.3 | Low | 65.7 | Low | 67 Ų | 67 | 86.2 Ų | 86.2 | 41% | 0.406 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -55.9 | -25.9 | -176 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | D132 S133 R136 | V130-D132 VanDerWaalsContact C-N 3.26Å; V130-D132 PolarHBondContact O-N 2.77Å; V130-S133 VanDerWaalsContact O-CB 3.27Å; V130-S133 WeakPolarHBondContact O-CB 3.49Å; V130-S133 PolarHBondContact O-N 2.91Å; V130-R136 WeakPolarHBondContact O-CD 3.31Å |
| 131 | E | 59.7 | Low | 66.8 | Low | 87 Ų | 87 | 86.3 Ų | 86.3 | 41% | 0.407 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -62.1 | -26.6 | 176.5 | -65.7 | -165.8 | 166.7 | 0 | 0 | 114.8 | N129 S133 K194 | N129-E131 PolarHBondContact O-N 2.93Å; E131-S133 VanDerWaalsContact C-N 3.34Å; E131-K194 IonicContact OE2-NZ 3.35Å |
| 132 | D | 65.1 | Low | 68.7 | Low | 109 Ų | 109 | 77 Ų | 77 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -93.9 | 7.5 | -177.6 | -66.3 | -23.8 | 0 | 0 | 0 | 112.8 | N129 V130 I134 | N129-D132 PolarHBondContact O-N 2.69Å; V130-D132 VanDerWaalsContact C-N 3.26Å; V130-D132 PolarHBondContact O-N 2.77Å; D132-I134 PolarHBondContact O-N 2.82Å |
| 133 | S | 78.7 | Confident | 70.9 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.014 | 36% | 0.357 | C | S | . | . | trans | -61.5 | 130.5 | -179.6 | 163.5 | 0 | 0 | 0 | 0 | 112.2 | P108 E115 V130 E131 V135 R136 K137 | P108-S133 WeakPolarHBondContact CB-OG 3.25Å; E115-S133 WeakPolarHBondContact OE1-CA 3.18Å; E115-S133 WeakPolarHBondContact OE1-CB 3.13Å; E115-S133 PolarHBondContact OE1-OG 2.92Å; V130-S133 VanDerWaalsContact O-CB 3.27Å; V130-S133 WeakPolarHBondContact O-CB 3.49Å; V130-S133 PolarHBondContact O-N 2.91Å; E131-S133 VanDerWaalsContact C-N 3.34Å; S133-V135 VanDerWaalsContact C-N 3.28Å; S133-V135 PolarHBondContact O-N 3.25Å; S133-V135 PolarHBondContact OG-N 3.46Å; S133-R136 PolarHBondContact O-N 2.98Å; S133-R136 PolarHBondContact OG-N 3.19Å; S133-K137 WeakPolarHBondContact O-CB 3.48Å; S133-K137 PolarHBondContact O-N 3.48Å | ||
| 134 | I | 84.3 | Confident | 72.8 | Confident | 46 Ų | 46 | 67.5 Ų | 67.5 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 174.8 | -62.3 | 175.1 | 0 | 0 | 0 | 110 | E115 L118 M119 D132 K137 L138 | E115-I134 HydrophobicContact CG-CB 4.26Å; E115-I134 HydrophobicContact CG-CD1 4.44Å; E115-I134 HydrophobicContact CG-CG1 4.33Å; E115-I134 PolarHBondContact OE1-N 3.18Å; L118-I134 HydrophobicContact CB-CD1 4.17Å; L118-I134 HydrophobicContact CD1-CD1 4.42Å; M119-I134 HydrophobicContact CG-CD1 3.92Å; M119-I134 HydrophobicContact SD-CD1 4.43Å; D132-I134 PolarHBondContact O-N 2.82Å; I134-K137 PolarHBondContact O-N 3.07Å; I134-L138 WeakPolarHBondContact O-CB 3.12Å; I134-L138 PolarHBondContact O-N 3.02Å |
| 135 | V | 87.3 | Confident | 74.9 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 178 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | L65 L107 P108 F111 L114 S133 K137 L138 M139 | L65-V135 HydrophobicContact CD1-CG2 4.18Å; L107-V135 HydrophobicContact CD2-CG1 4.49Å; L107-V135 HydrophobicContact CG-CG1 4.38Å; P108-V135 HydrophobicContact CB-CB 4.37Å; P108-V135 HydrophobicContact CG-CB 4.33Å; P108-V135 HydrophobicContact CG-CG1 4.3Å; F111-V135 HydrophobicContact CB-CG2 3.84Å; F111-V135 HydrophobicContact CG-CG2 4.29Å; L114-V135 HydrophobicContact CD2-CG2 4.47Å; S133-V135 VanDerWaalsContact C-N 3.28Å; S133-V135 PolarHBondContact O-N 3.25Å; S133-V135 PolarHBondContact OG-N 3.46Å; V135-K137 PolarHBondContact O-N 3.19Å; V135-L138 PolarHBondContact O-N 3.22Å; V135-M139 HydrophobicContact CG1-SD 4.4Å; V135-M139 VanDerWaalsContact O-CG 3.29Å; V135-M139 WeakPolarHBondContact O-CG 3.41Å; V135-M139 PolarHBondContact O-N 2.99Å |
| 136 | R | 88.8 | Confident | 77.1 | Confident | 23 Ų | 23 | 63 Ų | 63 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61 | -44.7 | 177.1 | -170.2 | 172.4 | -176.2 | -85.9 | -1.2 | 111.6 | C104 D105 P108 V130 S133 M139 L140 | C104-R136 HydrophobicContact CB-CG 4.28Å; D105-R136 IonicContact OD1-NE 3.17Å; P108-R136 HydrophobicContact CG-CB 3.88Å; V130-R136 WeakPolarHBondContact O-CD 3.31Å; S133-R136 PolarHBondContact O-N 2.98Å; S133-R136 PolarHBondContact OG-N 3.19Å; R136-M139 WeakPolarHBondContact O-CB 3.33Å; R136-M139 PolarHBondContact O-N 2.85Å; R136-L140 HydrophobicContact CG-CD1 4.09Å; R136-L140 WeakPolarHBondContact O-CG 3.48Å; R136-L140 PolarHBondContact O-N 3.25Å |
| 137 | K | 86.5 | Confident | 79.3 | Confident | 128 Ų | 128 | 54.4 Ų | 54.4 | 56% | 0.557 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.7 | -48.9 | 176.3 | -178.1 | 175.4 | -179.7 | 180 | 0 | 111.5 | S133 I134 V135 M139 L140 D141 | S133-K137 WeakPolarHBondContact O-CB 3.48Å; S133-K137 PolarHBondContact O-N 3.48Å; I134-K137 PolarHBondContact O-N 3.07Å; V135-K137 PolarHBondContact O-N 3.19Å; K137-M139 VanDerWaalsContact C-N 3.3Å; K137-M139 PolarHBondContact O-N 2.96Å; K137-L140 PolarHBondContact O-N 2.92Å; K137-D141 WeakPolarHBondContact CE-OD2 3.24Å; K137-D141 VanDerWaalsContact CG-OD2 3.32Å; K137-D141 WeakPolarHBondContact CG-OD2 3.32Å; K137-D141 WeakPolarHBondContact O-CB 3.31Å; K137-D141 PolarHBondContact O-N 3.31Å |
| 138 | L | 88.3 | Confident | 81.5 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.9 | -44.9 | 176.7 | 175.1 | 64.7 | 0 | 0 | 0 | 112 | K66 I69 I134 V135 T142 | K66-L138 HydrophobicContact CB-CD1 4.33Å; K66-L138 HydrophobicContact CB-CD2 3.93Å; K66-L138 HydrophobicContact CD-CD1 4.21Å; K66-L138 HydrophobicContact CG-CD1 4.02Å; I69-L138 HydrophobicContact CD1-CD2 4.02Å; I69-L138 HydrophobicContact CD1-CG 4.41Å; I134-L138 WeakPolarHBondContact O-CB 3.12Å; I134-L138 PolarHBondContact O-N 3.02Å; V135-L138 PolarHBondContact O-N 3.22Å; L138-T142 VanDerWaalsContact O-CB 3.31Å; L138-T142 WeakPolarHBondContact O-CB 3.31Å; L138-T142 PolarHBondContact O-N 3.29Å; L138-T142 PolarHBondContact O-OG1 3.36Å |
| 139 | M | 91.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.6 | -55.8 | 176.2 | -70.7 | 179.2 | 79.8 | 0 | 0 | 110.8 | L30 I69 F100 Q103 L107 V135 R136 K137 T142 W143 | L30-M139 HydrophobicContact CD2-CE 4.22Å; I69-M139 HydrophobicContact CD1-CG 3.71Å; I69-M139 HydrophobicContact CG1-CG 4.26Å; I69-M139 HydrophobicContact CG2-CG 4.2Å; F100-M139 HydrophobicContact CD2-CE 4.28Å; F100-M139 HydrophobicContact CE2-CB 4.11Å; F100-M139 HydrophobicContact CE2-CE 3.79Å; F100-M139 HydrophobicContact CZ-CB 3.76Å; F100-M139 HydrophobicContact CZ-CE 4.38Å; F100-M139 WeakPolarHBondContact CZ-O 3.42Å; Q103-M139 HydrophobicContact CB-CE 4.14Å; L107-M139 HydrophobicContact CB-CE 4.49Å; L107-M139 HydrophobicContact CB-SD 4.14Å; L107-M139 HydrophobicContact CD2-CE 4.05Å; L107-M139 HydrophobicContact CD2-SD 3.78Å; L107-M139 HydrophobicContact CG-SD 4.4Å; V135-M139 HydrophobicContact CG1-SD 4.4Å; V135-M139 VanDerWaalsContact O-CG 3.29Å; V135-M139 WeakPolarHBondContact O-CG 3.41Å; V135-M139 PolarHBondContact O-N 2.99Å; R136-M139 WeakPolarHBondContact O-CB 3.33Å; R136-M139 PolarHBondContact O-N 2.85Å; K137-M139 VanDerWaalsContact C-N 3.3Å; K137-M139 PolarHBondContact O-N 2.96Å; M139-T142 PolarHBondContact O-N 3.04Å; M139-W143 PolarHBondContact O-N 3.08Å |
| 140 | L | 90.9 | Very high | 85.1 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -45.6 | -176.1 | -67.5 | 170.8 | 0 | 0 | 0 | 112.2 | W97 F100 R136 K137 T142 W143 N144 L187 | W97-L140 HydrophobicContact CH2-CD2 4.06Å; F100-L140 HydrophobicContact CE1-CD2 4.3Å; R136-L140 HydrophobicContact CG-CD1 4.09Å; R136-L140 WeakPolarHBondContact O-CG 3.48Å; R136-L140 PolarHBondContact O-N 3.25Å; K137-L140 PolarHBondContact O-N 2.92Å; L140-T142 VanDerWaalsContact C-N 3.35Å; L140-T142 PolarHBondContact O-N 3.31Å; L140-W143 PolarHBondContact O-N 2.99Å; L140-N144 WeakPolarHBondContact O-CB 3.47Å; L140-N144 PolarHBondContact O-N 3.16Å; L140-L187 HydrophobicContact CB-CD2 4.13Å; L140-L187 HydrophobicContact CD2-CD2 3.96Å; L140-L187 VanDerWaalsContact O-CD2 3.28Å; L140-L187 WeakPolarHBondContact O-CD2 3.27Å |
| 141 | D | 88.2 | Confident | 86.8 | Confident | 41 Ų | 41 | 40.2 Ų | 40.2 | 22% | 0.219 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 178.1 | -72.9 | -24.4 | 0 | 0 | 0 | 110.7 | K137 W143 N144 E145 S189 | K137-D141 WeakPolarHBondContact CE-OD2 3.24Å; K137-D141 VanDerWaalsContact CG-OD2 3.32Å; K137-D141 WeakPolarHBondContact CG-OD2 3.32Å; K137-D141 WeakPolarHBondContact O-CB 3.31Å; K137-D141 PolarHBondContact O-N 3.31Å; D141-W143 VanDerWaalsContact C-N 3.34Å; D141-W143 PolarHBondContact O-N 3.46Å; D141-N144 WeakPolarHBondContact O-CB 3.43Å; D141-N144 PolarHBondContact O-N 2.85Å; D141-E145 WeakPolarHBondContact O-CG 3.31Å; D141-E145 PolarHBondContact O-N 2.82Å; D141-S189 PolarHBondContact OD1-OG 2.8Å |
| 142 | T | 90.4 | Very high | 88.3 | Confident | 13 Ų | 13 | 39.1 Ų | 39.1 | 8% | 0.08 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.5 | -38.2 | 178.4 | -52 | 0 | 0 | 0 | 0 | 111.9 | L70 I73 L138 M139 L140 S146 | L70-T142 HydrophobicContact CB-CG2 4.43Å; L70-T142 HydrophobicContact CD1-CG2 3.67Å; I73-T142 HydrophobicContact CD1-CG2 3.52Å; L138-T142 VanDerWaalsContact O-CB 3.31Å; L138-T142 WeakPolarHBondContact O-CB 3.31Å; L138-T142 PolarHBondContact O-N 3.29Å; L138-T142 PolarHBondContact O-OG1 3.36Å; M139-T142 PolarHBondContact O-N 3.04Å; L140-T142 VanDerWaalsContact C-N 3.35Å; L140-T142 PolarHBondContact O-N 3.31Å; T142-S146 WeakPolarHBondContact O-CB 3.21Å; T142-S146 PolarHBondContact O-N 3.19Å; T142-S146 PolarHBondContact O-OG 3.34Å |
| 143 | W | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66 | -42.4 | 175.8 | -177.5 | -82.4 | 0 | 0 | 0 | 111.7 | I73 A76 Y93 E96 W97 F100 M139 L140 D141 I147 F148 L187 | I73-W143 HydrophobicContact CD1-CB 4.34Å; I73-W143 HydrophobicContact CG1-CE3 4.23Å; A76-W143 HydrophobicContact CB-CH2 4.37Å; A76-W143 HydrophobicContact CB-CZ3 4.05Å; Y93-W143 HydrophobicContact CD2-CZ2 4.22Å; Y93-W143 AromaticContact CE2-CE2 3.91Å; Y93-W143 AromaticContact CE2-CZ2 3.7Å; Y93-W143 HydrophobicContact CE2-CZ2 3.7Å; Y93-W143 AromaticContact CE2-NE1 3.54Å; Y93-W143 AromaticContact CZ-NE1 3.73Å; Y93-W143 PolarHBondContact OH-NE1 3.42Å; Y93-W143 VanDerWaalsContact OH-NE1 3.13Å; E96-W143 HydrophobicContact CB-CH2 3.92Å; W97-W143 HydrophobicContact CB-CZ2 4.03Å; W97-W143 AromaticContact CE3-CD1 3.73Å; W97-W143 AromaticContact CE3-CD2 3.99Å; W97-W143 HydrophobicContact CE3-CD2 3.99Å; W97-W143 AromaticContact CE3-CE2 3.44Å; W97-W143 VanDerWaalsContact CE3-CE2 3.44Å; W97-W143 HydrophobicContact CE3-CG 4.17Å; W97-W143 AromaticContact CE3-CZ2 3.84Å; W97-W143 HydrophobicContact CE3-CZ2 3.84Å; W97-W143 AromaticContact CE3-NE1 3.23Å; W97-W143 AromaticContact CZ3-CD1 3.44Å; W97-W143 VanDerWaalsContact CZ3-CD1 3.44Å; W97-W143 HydrophobicContact CZ3-CD2 4.13Å; W97-W143 AromaticContact CZ3-CE2 3.95Å; W97-W143 AromaticContact CZ3-CG 3.85Å; W97-W143 HydrophobicContact CZ3-CG 3.85Å; W97-W143 AromaticContact CZ3-NE1 3.48Å; F100-W143 HydrophobicContact CB-CE3 3.92Å; F100-W143 HydrophobicContact CB-CH2 4.07Å; F100-W143 HydrophobicContact CB-CZ3 3.56Å; F100-W143 HydrophobicContact CD1-CB 4.38Å; F100-W143 AromaticContact CD1-CD2 3.71Å; F100-W143 HydrophobicContact CD1-CD2 3.71Å; F100-W143 AromaticContact CD1-CE3 3.49Å; F100-W143 HydrophobicContact CD1-CE3 3.49Å; F100-W143 VanDerWaalsContact CD1-CE3 3.49Å; F100-W143 HydrophobicContact CD1-CG 4.09Å; F100-W143 HydrophobicContact CD1-CZ3 4.03Å; F100-W143 AromaticContact CD2-CE3 3.65Å; F100-W143 HydrophobicContact CD2-CE3 3.65Å; F100-W143 AromaticContact CD2-CZ3 3.98Å; F100-W143 HydrophobicContact CD2-CZ3 3.98Å; F100-W143 HydrophobicContact CE1-CB 3.61Å; F100-W143 AromaticContact CE1-CD2 3.86Å; F100-W143 HydrophobicContact CE1-CD2 3.86Å; F100-W143 AromaticContact CE1-CE3 3.84Å; F100-W143 HydrophobicContact CE1-CE3 3.84Å; F100-W143 AromaticContact CE1-CG 3.78Å; F100-W143 HydrophobicContact CE1-CG 3.78Å; F100-W143 AromaticContact CE2-CE3 3.98Å; F100-W143 HydrophobicContact CE2-CE3 3.98Å; F100-W143 HydrophobicContact CG-CD2 4.09Å; F100-W143 AromaticContact CG-CE3 3.38Å; F100-W143 HydrophobicContact CG-CE3 3.38Å; F100-W143 HydrophobicContact CG-CH2 4.4Å; F100-W143 AromaticContact CG-CZ3 3.57Å; F100-W143 HydrophobicContact CG-CZ3 3.57Å; F100-W143 HydrophobicContact CZ-CB 3.7Å; F100-W143 HydrophobicContact CZ-CD2 4.37Å; F100-W143 HydrophobicContact CZ-CE3 4.06Å; F100-W143 HydrophobicContact CZ-CG 4.26Å; M139-W143 PolarHBondContact O-N 3.08Å; L140-W143 PolarHBondContact O-N 2.99Å; D141-W143 VanDerWaalsContact C-N 3.34Å; D141-W143 PolarHBondContact O-N 3.46Å; W143-I147 HydrophobicContact CD2-CD1 4.1Å; W143-I147 HydrophobicContact CE3-CD1 3.94Å; W143-I147 HydrophobicContact CH2-CD1 3.82Å; W143-I147 HydrophobicContact CZ2-CD1 3.98Å; W143-I147 HydrophobicContact CZ3-CD1 3.8Å; W143-I147 PolarHBondContact O-N 2.75Å; W143-F148 PolarHBondContact O-N 3.3Å; W143-L187 HydrophobicContact CB-CD2 4.32Å; W143-L187 HydrophobicContact CG-CD2 4.45Å |
| 144 | N | 91.5 | Very high | 90.3 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 17% | 0.166 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -59.9 | -53.5 | 177.8 | -172.9 | 27.7 | 0 | 0 | 0 | 111.3 | L140 D141 S146 F148 S149 L187 | L140-N144 WeakPolarHBondContact O-CB 3.47Å; L140-N144 PolarHBondContact O-N 3.16Å; D141-N144 WeakPolarHBondContact O-CB 3.43Å; D141-N144 PolarHBondContact O-N 2.85Å; N144-S146 PolarHBondContact O-N 2.97Å; N144-F148 PolarHBondContact O-N 3.31Å; N144-S149 WeakPolarHBondContact O-CB 3.3Å; N144-S149 PolarHBondContact O-N 3.34Å; N144-S149 PolarHBondContact O-OG 2.96Å; N144-L187 HydrophobicContact CB-CB 4.2Å; N144-L187 HydrophobicContact CB-CD2 4.23Å |
| 145 | E | 89.7 | Confident | 90.8 | Very high | 140 Ų | 140 | 40.4 Ų | 40.4 | 65% | 0.654 | 20% | 0.199 | S | C | * | . | I | π-helix | trans | -63.8 | -40.9 | -178.7 | -70.5 | 178.6 | 179.1 | 0 | 0 | 112.4 | D141 S149 | D141-E145 WeakPolarHBondContact O-CG 3.31Å; D141-E145 PolarHBondContact O-N 2.82Å; E145-S149 PolarHBondContact O-OG 3.36Å; E145-S149 VanDerWaalsContact O-OG 3.11Å |
| 146 | S | 90.5 | Very high | 91.2 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -81.7 | -43.4 | -173.1 | -55.5 | 0 | 0 | 0 | 0 | 113.2 | Q77 T142 N144 N150 | Q77-S146 PolarHBondContact NE2-O 2.79Å; T142-S146 WeakPolarHBondContact O-CB 3.21Å; T142-S146 PolarHBondContact O-N 3.19Å; T142-S146 PolarHBondContact O-OG 3.34Å; N144-S146 PolarHBondContact O-N 2.97Å; S146-N150 PolarHBondContact O-ND2 3.31Å |
| 147 | I | 92.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -114.3 | -66.8 | -169.9 | -56.4 | 179.4 | 0 | 0 | 0 | 110.2 | I73 A76 Q77 V80 Y93 W143 S149 N150 I151 | I73-I147 HydrophobicContact CG2-CD1 4Å; I73-I147 HydrophobicContact CG2-CG1 4.15Å; A76-I147 HydrophobicContact CB-CD1 4.11Å; Q77-I147 HydrophobicContact CB-CD1 4.02Å; Q77-I147 HydrophobicContact CB-CG1 3.76Å; Q77-I147 HydrophobicContact CG-CG1 4.05Å; V80-I147 HydrophobicContact CG1-CG2 4.5Å; Y93-I147 HydrophobicContact CD2-CG2 3.91Å; Y93-I147 HydrophobicContact CE2-CG2 3.85Å; W143-I147 HydrophobicContact CD2-CD1 4.1Å; W143-I147 HydrophobicContact CE3-CD1 3.94Å; W143-I147 HydrophobicContact CH2-CD1 3.82Å; W143-I147 HydrophobicContact CZ2-CD1 3.98Å; W143-I147 HydrophobicContact CZ3-CD1 3.8Å; W143-I147 PolarHBondContact O-N 2.75Å; I147-S149 PolarHBondContact O-N 2.93Å; I147-N150 PolarHBondContact O-N 3.35Å; I147-I151 HydrophobicContact CG2-CD1 3.81Å; I147-I151 WeakPolarHBondContact O-CG1 3.36Å |
| 148 | F | 92.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -63.2 | -45 | -163.5 | -177 | -110.5 | 0 | 0 | 0 | 112.9 | Y93 W143 N144 N150 I151 K152 L155 S183 Y184 L187 | Y93-F148 HydrophobicContact CE2-CD2 4.38Å; Y93-F148 AromaticContact CZ-CD2 3.87Å; Y93-F148 WeakPolarHBondContact OH-CD2 3.27Å; W143-F148 PolarHBondContact O-N 3.3Å; N144-F148 PolarHBondContact O-N 3.31Å; F148-N150 PolarHBondContact O-N 2.62Å; F148-N150 VanDerWaalsContact O-N 3.1Å; F148-I151 PolarHBondContact O-N 3.4Å; F148-K152 HydrophobicContact CD1-CB 4.21Å; F148-K152 HydrophobicContact CD2-CB 4.28Å; F148-K152 HydrophobicContact CE1-CB 3.92Å; F148-K152 HydrophobicContact CE2-CB 3.98Å; F148-K152 HydrophobicContact CG-CB 4.4Å; F148-K152 HydrophobicContact CZ-CB 3.79Å; F148-K152 WeakPolarHBondContact O-CA 3.43Å; F148-K152 VanDerWaalsContact O-CB 3.28Å; F148-K152 WeakPolarHBondContact O-CB 3.46Å; F148-K152 PolarHBondContact O-N 3.24Å; F148-L155 HydrophobicContact CD2-CD1 4.12Å; F148-L155 HydrophobicContact CE2-CD1 4.28Å; F148-S183 VanDerWaalsContact CE2-CB 3.47Å; F148-Y184 HydrophobicContact CE1-CD1 4.02Å; F148-Y184 HydrophobicContact CE1-CE1 4.04Å; F148-Y184 HydrophobicContact CE1-CG 4.4Å; F148-Y184 HydrophobicContact CE2-CD2 4.48Å; F148-Y184 HydrophobicContact CE2-CE2 4.44Å; F148-Y184 AromaticContact CZ-CD1 3.76Å; F148-Y184 HydrophobicContact CZ-CD1 3.76Å; F148-Y184 AromaticContact CZ-CD2 3.77Å; F148-Y184 HydrophobicContact CZ-CD2 3.77Å; F148-Y184 AromaticContact CZ-CE1 3.76Å; F148-Y184 HydrophobicContact CZ-CE1 3.76Å; F148-Y184 AromaticContact CZ-CE2 3.81Å; F148-Y184 HydrophobicContact CZ-CE2 3.81Å; F148-Y184 AromaticContact CZ-CG 3.77Å; F148-Y184 HydrophobicContact CZ-CG 3.77Å; F148-Y184 AromaticContact CZ-CZ 3.81Å; F148-L187 HydrophobicContact CB-CD1 3.6Å; F148-L187 HydrophobicContact CD1-CD1 3.55Å; F148-L187 HydrophobicContact CD2-CD1 4.09Å; F148-L187 HydrophobicContact CE1-CD1 4.2Å; F148-L187 HydrophobicContact CG-CD1 3.48Å; F148-L187 VanDerWaalsContact CG-CD1 3.48Å |
| 149 | S | 90 | Very high | 92.1 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -53.8 | -35 | -177.9 | 64 | 0 | 0 | 0 | 0 | 113.7 | N144 E145 I147 | N144-S149 WeakPolarHBondContact O-CB 3.3Å; N144-S149 PolarHBondContact O-N 3.34Å; N144-S149 PolarHBondContact O-OG 2.96Å; E145-S149 PolarHBondContact O-OG 3.36Å; E145-S149 VanDerWaalsContact O-OG 3.11Å; I147-S149 PolarHBondContact O-N 2.93Å |
| 150 | N | 89.5 | Confident | 92.3 | Very high | 113 Ų | 113 | 38.4 Ų | 38.4 | 60% | 0.604 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -81.7 | -24.6 | -177.3 | -65.3 | -44.6 | 0 | 0 | 0 | 113.6 | S146 I147 F148 | S146-N150 PolarHBondContact O-ND2 3.31Å; I147-N150 PolarHBondContact O-N 3.35Å; F148-N150 PolarHBondContact O-N 2.62Å; F148-N150 VanDerWaalsContact O-N 3.1Å |
| 151 | I | 92.7 | Very high | 92.5 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -121.2 | -3.6 | -173.4 | 67 | 177.4 | 0 | 0 | 0 | 114.2 | V80 L81 Y93 I147 F148 N153 R154 L155 | V80-I151 HydrophobicContact CG1-CD1 3.82Å; L81-I151 HydrophobicContact CD2-CG2 3.76Å; Y93-I151 HydrophobicContact CD2-CD1 3.76Å; Y93-I151 HydrophobicContact CE2-CD1 4.32Å; Y93-I151 HydrophobicContact CG-CD1 4.37Å; I147-I151 HydrophobicContact CG2-CD1 3.81Å; I147-I151 WeakPolarHBondContact O-CG1 3.36Å; F148-I151 PolarHBondContact O-N 3.4Å; I151-N153 VanDerWaalsContact C-N 3.27Å; I151-N153 PolarHBondContact O-N 2.93Å; I151-N153 VanDerWaalsContact O-N 3.13Å; I151-R154 PolarHBondContact O-N 2.95Å; I151-L155 HydrophobicContact CB-CG 4.5Å; I151-L155 HydrophobicContact CD1-CD1 3.83Å; I151-L155 HydrophobicContact CD1-CD2 4.37Å; I151-L155 HydrophobicContact CD1-CG 4.18Å; I151-L155 HydrophobicContact CG1-CD1 3.73Å; I151-L155 HydrophobicContact CG1-CG 4.04Å; I151-L155 WeakPolarHBondContact O-CG 3.37Å; I151-L155 PolarHBondContact O-N 2.98Å |
| 152 | K | 92 | Very high | 92.8 | Very high | 64 Ų | 64 | 43.6 Ų | 43.6 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -50 | -42.5 | -173.9 | 64.5 | -178.4 | -174.9 | 174.2 | 0 | 113.8 | F148 L155 Q156 Y184 | F148-K152 HydrophobicContact CD1-CB 4.21Å; F148-K152 HydrophobicContact CD2-CB 4.28Å; F148-K152 HydrophobicContact CE1-CB 3.92Å; F148-K152 HydrophobicContact CE2-CB 3.98Å; F148-K152 HydrophobicContact CG-CB 4.4Å; F148-K152 HydrophobicContact CZ-CB 3.79Å; F148-K152 WeakPolarHBondContact O-CA 3.43Å; F148-K152 VanDerWaalsContact O-CB 3.28Å; F148-K152 WeakPolarHBondContact O-CB 3.46Å; F148-K152 PolarHBondContact O-N 3.24Å; K152-L155 PolarHBondContact O-N 3.2Å; K152-Q156 VanDerWaalsContact O-CB 3.31Å; K152-Q156 WeakPolarHBondContact O-CB 3.37Å; K152-Q156 PolarHBondContact O-N 3.02Å; K152-Y184 PolarHBondContact O-OH 3.19Å |
| 153 | N | 92.4 | Very high | 93 | Very high | 90 Ų | 90 | 43 Ų | 43 | 48% | 0.481 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.1 | -43.5 | -179.4 | -65.6 | -15.2 | 0 | 0 | 0 | 111.3 | I151 L155 Q156 D157 | I151-N153 VanDerWaalsContact C-N 3.27Å; I151-N153 PolarHBondContact O-N 2.93Å; I151-N153 VanDerWaalsContact O-N 3.13Å; N153-L155 PolarHBondContact O-N 3.09Å; N153-Q156 PolarHBondContact O-N 2.75Å; N153-D157 WeakPolarHBondContact O-CB 3.33Å; N153-D157 VanDerWaalsContact O-CG 3.23Å; N153-D157 PolarHBondContact O-N 2.9Å |
| 154 | R | 93.6 | Very high | 93.1 | Very high | 93 Ų | 93 | 46.9 Ų | 46.9 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64 | -41.2 | 177.1 | -64.9 | -179.7 | 65.2 | -170.9 | 0.4 | 111.6 | Q84 D86 L89 I151 S158 | Q84-R154 PolarHBondContact O-NH2 3.08Å; D86-R154 IonicContact OD1-CZ 3.92Å; D86-R154 VanDerWaalsContact OD1-CZ 3.24Å; D86-R154 IonicContact OD1-NE 3.96Å; D86-R154 PolarHBondContact OD1-NE 3.15Å; D86-R154 IonicContact OD1-NH2 2.7Å; D86-R154 PolarHBondContact OD1-NH2 3.34Å; L89-R154 HydrophobicContact CD2-CB 4.23Å; I151-R154 PolarHBondContact O-N 2.95Å; R154-S158 WeakPolarHBondContact O-CB 3.22Å; R154-S158 PolarHBondContact O-N 3.39Å; R154-S158 VanDerWaalsContact O-N 3.07Å; R154-S158 PolarHBondContact O-OG 3.49Å; R154-S158 VanDerWaalsContact O-OG 3.12Å |
| 155 | L | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -44.2 | 176.1 | -64.7 | 178.5 | 0 | 0 | 0 | 111.5 | L89 L90 Y93 F148 I151 K152 N153 S158 A159 V180 | L89-L155 HydrophobicContact CG-CD2 4.48Å; L90-L155 HydrophobicContact CB-CD2 4.31Å; L90-L155 HydrophobicContact CD1-CD2 3.89Å; Y93-L155 HydrophobicContact CD1-CD1 3.51Å; Y93-L155 HydrophobicContact CD1-CD2 4.14Å; Y93-L155 HydrophobicContact CD1-CG 4.47Å; Y93-L155 HydrophobicContact CD2-CD1 3.9Å; Y93-L155 HydrophobicContact CE1-CD1 3.66Å; Y93-L155 HydrophobicContact CE2-CD1 4.01Å; Y93-L155 HydrophobicContact CG-CD1 3.64Å; Y93-L155 HydrophobicContact CG-CD2 4.03Å; F148-L155 HydrophobicContact CD2-CD1 4.12Å; F148-L155 HydrophobicContact CE2-CD1 4.28Å; I151-L155 HydrophobicContact CB-CG 4.5Å; I151-L155 HydrophobicContact CD1-CD1 3.83Å; I151-L155 HydrophobicContact CD1-CD2 4.37Å; I151-L155 HydrophobicContact CD1-CG 4.18Å; I151-L155 HydrophobicContact CG1-CD1 3.73Å; I151-L155 HydrophobicContact CG1-CG 4.04Å; I151-L155 WeakPolarHBondContact O-CG 3.37Å; I151-L155 PolarHBondContact O-N 2.98Å; K152-L155 PolarHBondContact O-N 3.2Å; N153-L155 PolarHBondContact O-N 3.09Å; L155-S158 PolarHBondContact O-N 2.97Å; L155-A159 WeakPolarHBondContact O-CB 3.33Å; L155-A159 PolarHBondContact O-N 3.18Å; L155-V180 HydrophobicContact CB-CG1 4.45Å; L155-V180 HydrophobicContact CB-CG2 4.13Å |
| 156 | Q | 95.2 | Very high | 93.4 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -50.3 | 176.5 | -178.7 | -178.8 | -65.7 | 0 | 0 | 111.4 | K152 N153 S158 A159 M160 Y184 N201 A205 | K152-Q156 VanDerWaalsContact O-CB 3.31Å; K152-Q156 WeakPolarHBondContact O-CB 3.37Å; K152-Q156 PolarHBondContact O-N 3.02Å; N153-Q156 PolarHBondContact O-N 2.75Å; Q156-S158 VanDerWaalsContact C-N 3.31Å; Q156-S158 PolarHBondContact O-N 2.74Å; Q156-A159 WeakPolarHBondContact O-CB 3.22Å; Q156-A159 PolarHBondContact O-N 2.76Å; Q156-A159 VanDerWaalsContact O-N 3.13Å; Q156-M160 HydrophobicContact CG-CE 4.45Å; Q156-M160 WeakPolarHBondContact O-CG 3.32Å; Q156-M160 PolarHBondContact O-N 3.26Å; Q156-Y184 HydrophobicContact CB-CE2 4.25Å; Q156-Y184 PolarHBondContact OE1-OH 3.39Å; Q156-N201 PolarHBondContact OE1-O 3.01Å; Q156-A205 HydrophobicContact CG-CB 4.03Å |
| 157 | D | 94.1 | Very high | 93.5 | Very high | 86 Ų | 86 | 40.9 Ų | 40.9 | 46% | 0.46 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.4 | -42.1 | -179.6 | -70 | -18 | 0 | 0 | 0 | 111.6 | N153 M160 K161 | N153-D157 WeakPolarHBondContact O-CB 3.33Å; N153-D157 VanDerWaalsContact O-CG 3.23Å; N153-D157 PolarHBondContact O-N 2.9Å; D157-M160 PolarHBondContact O-N 3Å; D157-K161 WeakPolarHBondContact O-CG 3.11Å; D157-K161 PolarHBondContact O-N 2.99Å |
| 158 | S | 94.5 | Very high | 93.5 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 173.7 | -68.3 | 0 | 0 | 0 | 0 | 112.7 | D86 R154 L155 Q156 M160 K161 L162 | D86-S158 WeakPolarHBondContact CB-OG 3.34Å; R154-S158 WeakPolarHBondContact O-CB 3.22Å; R154-S158 PolarHBondContact O-N 3.39Å; R154-S158 VanDerWaalsContact O-N 3.07Å; R154-S158 PolarHBondContact O-OG 3.49Å; R154-S158 VanDerWaalsContact O-OG 3.12Å; L155-S158 PolarHBondContact O-N 2.97Å; Q156-S158 VanDerWaalsContact C-N 3.31Å; Q156-S158 PolarHBondContact O-N 2.74Å; S158-M160 VanDerWaalsContact C-N 3.34Å; S158-M160 PolarHBondContact O-N 3.46Å; S158-K161 PolarHBondContact O-N 3.39Å; S158-L162 WeakPolarHBondContact O-CG 3.37Å; S158-L162 PolarHBondContact O-N 3.13Å; S158-L162 VanDerWaalsContact O-N 3.12Å |
| 159 | A | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L155 Q156 K161 L162 V163 V177 V180 F202 | L155-A159 WeakPolarHBondContact O-CB 3.33Å; L155-A159 PolarHBondContact O-N 3.18Å; Q156-A159 WeakPolarHBondContact O-CB 3.22Å; Q156-A159 PolarHBondContact O-N 2.76Å; Q156-A159 VanDerWaalsContact O-N 3.13Å; A159-K161 PolarHBondContact O-N 3.44Å; A159-L162 PolarHBondContact O-N 3.06Å; A159-V163 VanDerWaalsContact O-CG2 3.28Å; A159-V163 WeakPolarHBondContact O-CG2 3.4Å; A159-V163 PolarHBondContact O-N 2.95Å; A159-V177 HydrophobicContact CB-CG2 4.19Å; A159-V180 HydrophobicContact CB-CB 4.38Å; A159-V180 HydrophobicContact CB-CG1 4.42Å; A159-V180 HydrophobicContact CB-CG2 4.29Å; A159-F202 HydrophobicContact CB-CE2 4.44Å |
| 160 | M | 95.2 | Very high | 93.6 | Very high | 17 Ų | 17 | 52.7 Ų | 52.7 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 176.4 | -64.7 | -49.3 | 118.5 | 0 | 0 | 112.5 | Q156 D157 S158 V163 H164 F202 A205 Y206 | Q156-M160 HydrophobicContact CG-CE 4.45Å; Q156-M160 WeakPolarHBondContact O-CG 3.32Å; Q156-M160 PolarHBondContact O-N 3.26Å; D157-M160 PolarHBondContact O-N 3Å; S158-M160 VanDerWaalsContact C-N 3.34Å; S158-M160 PolarHBondContact O-N 3.46Å; M160-V163 PolarHBondContact O-N 2.88Å; M160-H164 WeakPolarHBondContact O-CB 3.34Å; M160-H164 PolarHBondContact O-N 2.92Å; M160-F202 HydrophobicContact CE-CD2 3.95Å; M160-F202 HydrophobicContact CE-CE1 4.43Å; M160-F202 HydrophobicContact CE-CE2 3.57Å; M160-F202 HydrophobicContact CE-CZ 3.85Å; M160-A205 HydrophobicContact CG-CB 4.35Å; M160-Y206 HydrophobicContact CE-CD2 4.12Å; M160-Y206 HydrophobicContact SD-CD2 4.16Å; M160-Y206 HydrophobicContact SD-CG 4.45Å |
| 161 | K | 94.3 | Very high | 93.6 | Very high | 126 Ų | 126 | 52.3 Ų | 52.3 | 55% | 0.548 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 173.2 | -71.4 | 172 | -170.4 | 170 | 0 | 112 | D157 S158 A159 H164 A165 | D157-K161 WeakPolarHBondContact O-CG 3.11Å; D157-K161 PolarHBondContact O-N 2.99Å; S158-K161 PolarHBondContact O-N 3.39Å; A159-K161 PolarHBondContact O-N 3.44Å; K161-H164 WeakPolarHBondContact O-CB 3.18Å; K161-H164 PolarHBondContact O-N 3.36Å; K161-A165 PolarHBondContact O-N 2.94Å |
| 162 | L | 95.2 | Very high | 93.6 | Very high | 36 Ų | 36 | 53.8 Ų | 53.8 | 19% | 0.188 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 175.8 | -67 | 175 | 0 | 0 | 0 | 111.6 | L90 S158 A159 H164 A165 E166 F172 L176 V177 | L90-L162 HydrophobicContact CD2-CD1 3.73Å; S158-L162 WeakPolarHBondContact O-CG 3.37Å; S158-L162 PolarHBondContact O-N 3.13Å; S158-L162 VanDerWaalsContact O-N 3.12Å; A159-L162 PolarHBondContact O-N 3.06Å; L162-H164 VanDerWaalsContact C-N 3.3Å; L162-H164 PolarHBondContact O-N 3.41Å; L162-A165 PolarHBondContact O-N 3.12Å; L162-E166 PolarHBondContact O-N 3.38Å; L162-F172 HydrophobicContact CB-CD1 3.98Å; L162-F172 HydrophobicContact CB-CD2 3.99Å; L162-F172 HydrophobicContact CB-CE1 3.92Å; L162-F172 HydrophobicContact CB-CE2 3.98Å; L162-F172 HydrophobicContact CB-CG 4.03Å; L162-F172 HydrophobicContact CB-CZ 3.95Å; L162-F172 HydrophobicContact CD1-CD2 4Å; L162-F172 HydrophobicContact CD1-CE2 4.31Å; L162-F172 HydrophobicContact CD2-CB 4.09Å; L162-F172 HydrophobicContact CD2-CD2 4.41Å; L162-F172 HydrophobicContact CD2-CG 4.14Å; L162-F172 HydrophobicContact CG-CD2 4.37Å; L162-F172 HydrophobicContact CG-CG 4.47Å; L162-F172 WeakPolarHBondContact O-CD1 3.46Å; L162-F172 WeakPolarHBondContact O-CE1 3.45Å; L162-L176 HydrophobicContact CD1-CB 3.76Å; L162-L176 HydrophobicContact CD1-CD1 3.78Å; L162-L176 HydrophobicContact CD1-CG 4.44Å; L162-V177 HydrophobicContact CB-CG2 4.23Å; L162-V177 HydrophobicContact CD1-CG2 4.4Å |
| 163 | V | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 175.9 | 177.9 | 0 | 0 | 0 | 0 | 111 | A159 M160 E166 R167 V177 Y206 Y248 | A159-V163 VanDerWaalsContact O-CG2 3.28Å; A159-V163 WeakPolarHBondContact O-CG2 3.4Å; A159-V163 PolarHBondContact O-N 2.95Å; M160-V163 PolarHBondContact O-N 2.88Å; V163-E166 PolarHBondContact O-N 3.48Å; V163-R167 WeakPolarHBondContact O-CG 3.48Å; V163-R167 PolarHBondContact O-N 3.39Å; V163-V177 HydrophobicContact CG2-CG1 4.06Å; V163-V177 HydrophobicContact CG2-CG2 3.96Å; V163-Y206 HydrophobicContact CG1-CE2 3.93Å; V163-Y206 HydrophobicContact CG2-CE2 3.97Å; V163-Y248 HydrophobicContact CG2-CD2 4.5Å |
| 164 | H | 94.5 | Very high | 93.6 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 174.4 | -178.3 | 87.2 | 0 | 0 | 0 | 112.4 | M160 K161 L162 R167 L168 F213 | M160-H164 WeakPolarHBondContact O-CB 3.34Å; M160-H164 PolarHBondContact O-N 2.92Å; K161-H164 WeakPolarHBondContact O-CB 3.18Å; K161-H164 PolarHBondContact O-N 3.36Å; L162-H164 VanDerWaalsContact C-N 3.3Å; L162-H164 PolarHBondContact O-N 3.41Å; H164-R167 WeakPolarHBondContact O-CB 3.34Å; H164-R167 PolarHBondContact O-N 3.38Å; H164-L168 PolarHBondContact O-N 3.48Å; H164-F213 AromaticContact CE1-CD2 3.59Å; H164-F213 AromaticContact CE1-CE2 3.93Å; H164-F213 AromaticContact ND1-CD2 3.56Å |
| 165 | A | 93.5 | Very high | 93.6 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 15% | 0.149 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K161 L162 R167 L168 G169 E170 | K161-A165 PolarHBondContact O-N 2.94Å; L162-A165 PolarHBondContact O-N 3.12Å; A165-R167 VanDerWaalsContact C-N 3.33Å; A165-R167 PolarHBondContact O-N 3.32Å; A165-L168 CarbonylContact O-C 3.56Å; A165-L168 WeakPolarHBondContact O-CA 3.38Å; A165-L168 WeakPolarHBondContact O-CB 3.22Å; A165-L168 PolarHBondContact O-N 3.21Å; A165-G169 PolarHBondContact O-N 3.43Å; A165-E170 HydrophobicContact CB-CB 4.06Å; A165-E170 PolarHBondContact O-N 2.94Å |
| 166 | E | 94.5 | Very high | 93.6 | Very high | 36 Ų | 36 | 50.4 Ų | 50.4 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -31.8 | 175.9 | -176.7 | -164.6 | -126.5 | 0 | 0 | 112.9 | L162 V163 L168 G169 E170 F172 R244 R247 Y248 | L162-E166 PolarHBondContact O-N 3.38Å; V163-E166 PolarHBondContact O-N 3.48Å; E166-L168 PolarHBondContact O-N 2.88Å; E166-G169 PolarHBondContact O-N 3.13Å; E166-E170 WeakPolarHBondContact CA-O 3.47Å; E166-F172 HydrophobicContact CB-CD1 3.92Å; E166-F172 HydrophobicContact CB-CE1 3.52Å; E166-F172 HydrophobicContact CG-CE1 4.19Å; E166-R244 WeakPolarHBondContact OE2-CD 3.46Å; E166-R244 IonicContact OE2-CZ 2.8Å; E166-R244 IonicContact OE2-NE 3.81Å; E166-R244 PolarHBondContact OE2-NE 3Å; E166-R244 IonicContact OE2-NH2 3.08Å; E166-R247 IonicContact OE1-NH1 3.99Å; E166-R247 PolarHBondContact OE1-NH1 2.93Å; E166-Y248 PolarHBondContact OE1-OH 3.1Å; E166-Y248 WeakPolarHBondContact OE2-CE2 3.14Å |
| 167 | R | 93.5 | Very high | 93.6 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 5% | 0.045 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -25.1 | 170.9 | -70.6 | 175.3 | 175.5 | 132.3 | 6.9 | 113 | V163 H164 A165 T210 F213 E241 | V163-R167 WeakPolarHBondContact O-CG 3.48Å; V163-R167 PolarHBondContact O-N 3.39Å; H164-R167 WeakPolarHBondContact O-CB 3.34Å; H164-R167 PolarHBondContact O-N 3.38Å; A165-R167 VanDerWaalsContact C-N 3.33Å; A165-R167 PolarHBondContact O-N 3.32Å; R167-T210 PolarHBondContact NH2-OG1 2.99Å; R167-F213 HydrophobicContact CB-CE1 3.94Å; R167-F213 HydrophobicContact CB-CE2 3.99Å; R167-F213 HydrophobicContact CB-CZ 3.61Å; R167-F213 HydrophobicContact CG-CE1 4.42Å; R167-E241 IonicContact CZ-OE1 3.06Å; R167-E241 IonicContact CZ-OE2 2.98Å; R167-E241 IonicContact NE-OE1 2.79Å; R167-E241 PolarHBondContact NE-OE1 2.87Å; R167-E241 IonicContact NE-OE2 2.81Å; R167-E241 IonicContact NH2-OE1 3.59Å; R167-E241 IonicContact NH2-OE2 3.44Å; R167-E241 PolarHBondContact NH2-OE2 2.88Å |
| 168 | L | 92.5 | Very high | 93.7 | Very high | 105 Ų | 105 | 46.3 Ų | 46.3 | 55% | 0.55 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -2.8 | 174.1 | -61.9 | 174.7 | 0 | 0 | 0 | 113.2 | H164 A165 E166 F213 | H164-L168 PolarHBondContact O-N 3.48Å; A165-L168 CarbonylContact O-C 3.56Å; A165-L168 WeakPolarHBondContact O-CA 3.38Å; A165-L168 WeakPolarHBondContact O-CB 3.22Å; A165-L168 PolarHBondContact O-N 3.21Å; E166-L168 PolarHBondContact O-N 2.88Å; L168-F213 HydrophobicContact CD2-CE2 4.05Å; L168-F213 HydrophobicContact CD2-CZ 4.25Å; L168-F213 HydrophobicContact CG-CE2 4.38Å |
| 169 | G | 91 | Very high | 93.6 | Very high | 67 Ų | 67 | 46 Ų | 46 | 69% | 0.691 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.7 | 5.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A165 E166 | A165-G169 PolarHBondContact O-N 3.43Å; E166-G169 PolarHBondContact O-N 3.13Å |
| 170 | E | 91.7 | Very high | 93.6 | Very high | 128 Ų | 128 | 46 Ų | 46 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | trans | -83.5 | 127.4 | 178.1 | -62.4 | -173.7 | -175.4 | 0 | 0 | 111.9 | A165 E166 | A165-E170 HydrophobicContact CB-CB 4.06Å; A165-E170 PolarHBondContact O-N 2.94Å; E166-E170 WeakPolarHBondContact CA-O 3.47Å | ||
| 171 | A | 89.9 | Confident | 93.5 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 86% | 0.86 | 26% | 0.262 | S | S | * | . | trans | -82.3 | 139 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 172 | F | 92.4 | Very high | 93.4 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 17% | 0.167 | 25% | 0.245 | C | C | . | . | trans | -140.4 | 168.2 | 172.9 | 71.4 | -94.5 | 0 | 0 | 0 | 110.9 | L162 E166 S174 V177 Y248 | L162-F172 HydrophobicContact CB-CD1 3.98Å; L162-F172 HydrophobicContact CB-CD2 3.99Å; L162-F172 HydrophobicContact CB-CE1 3.92Å; L162-F172 HydrophobicContact CB-CE2 3.98Å; L162-F172 HydrophobicContact CB-CG 4.03Å; L162-F172 HydrophobicContact CB-CZ 3.95Å; L162-F172 HydrophobicContact CD1-CD2 4Å; L162-F172 HydrophobicContact CD1-CE2 4.31Å; L162-F172 HydrophobicContact CD2-CB 4.09Å; L162-F172 HydrophobicContact CD2-CD2 4.41Å; L162-F172 HydrophobicContact CD2-CG 4.14Å; L162-F172 HydrophobicContact CG-CD2 4.37Å; L162-F172 HydrophobicContact CG-CG 4.47Å; L162-F172 WeakPolarHBondContact O-CD1 3.46Å; L162-F172 WeakPolarHBondContact O-CE1 3.45Å; E166-F172 HydrophobicContact CB-CD1 3.92Å; E166-F172 HydrophobicContact CB-CE1 3.52Å; E166-F172 HydrophobicContact CG-CE1 4.19Å; F172-S174 PolarHBondContact O-N 3.49Å; F172-V177 HydrophobicContact CE2-CB 4.3Å; F172-V177 HydrophobicContact CE2-CG2 3.49Å; F172-V177 VanDerWaalsContact CE2-CG2 3.49Å; F172-V177 HydrophobicContact CZ-CG2 3.66Å; F172-Y248 HydrophobicContact CZ-CE1 4.35Å; F172-Y248 HydrophobicContact CZ-CE2 4.19Å; F172-Y248 AromaticContact CZ-CZ 3.71Å; F172-Y248 WeakPolarHBondContact CZ-OH 3.4Å | ||
| 173 | D | 92.3 | Very high | 93.3 | Very high | 89 Ų | 89 | 40.9 Ų | 40.9 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | trans | -72.7 | 108.6 | 174.4 | 179.4 | 6.7 | 0 | 0 | 0 | 111.1 | Q175 L176 | D173-Q175 PolarHBondContact O-N 3.12Å; D173-Q175 WeakPolarHBondContact OD1-CB 3.23Å; D173-Q175 WeakPolarHBondContact OD1-CG 3.46Å; D173-Q175 PolarHBondContact OD1-N 3.07Å; D173-L176 HydrophobicContact CB-CD1 4.41Å; D173-L176 HydrophobicContact CB-CG 4.28Å; D173-L176 WeakPolarHBondContact O-CB 3.21Å; D173-L176 WeakPolarHBondContact O-CG 3.47Å; D173-L176 PolarHBondContact O-N 3.07Å | ||
| 174 | S | 93 | Very high | 93.2 | Very high | 19 Ų | 19 | 41 Ų | 41 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -26.1 | 178.2 | 41.1 | 0 | 0 | 0 | 0 | 115.6 | F172 L176 V177 I178 R247 | F172-S174 PolarHBondContact O-N 3.49Å; S174-L176 PolarHBondContact O-N 3.46Å; S174-V177 PolarHBondContact O-N 2.85Å; S174-V177 VanDerWaalsContact O-N 3.16Å; S174-I178 WeakPolarHBondContact O-CB 3.39Å; S174-I178 VanDerWaalsContact O-CG1 3.3Å; S174-I178 WeakPolarHBondContact O-CG1 3.46Å; S174-I178 PolarHBondContact O-N 3.34Å; S174-R247 VanDerWaalsContact CB-NE 3.32Å; S174-R247 PolarHBondContact OG-NH2 2.82Å |
| 175 | Q | 93.7 | Very high | 93 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.2 | -24.7 | 178.6 | -65.7 | -64 | -57.7 | 0 | 0 | 112 | D173 G179 | D173-Q175 PolarHBondContact O-N 3.12Å; D173-Q175 WeakPolarHBondContact OD1-CB 3.23Å; D173-Q175 WeakPolarHBondContact OD1-CG 3.46Å; D173-Q175 PolarHBondContact OD1-N 3.07Å; Q175-G179 PolarHBondContact O-N 3.33Å |
| 176 | L | 94.9 | Very high | 92.8 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 7% | 0.073 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 177 | -60.5 | 179.3 | 0 | 0 | 0 | 112.4 | L90 K91 I94 L162 D173 S174 V180 | L90-L176 HydrophobicContact CD2-CB 4.06Å; L90-L176 HydrophobicContact CG-CB 4.37Å; L90-L176 HydrophobicContact CG-CD2 4.35Å; K91-L176 HydrophobicContact CG-CD1 4.34Å; K91-L176 HydrophobicContact CG-CD2 3.92Å; I94-L176 HydrophobicContact CB-CD2 4.25Å; I94-L176 HydrophobicContact CG1-CD2 4.17Å; I94-L176 HydrophobicContact CG2-CD2 4.41Å; L162-L176 HydrophobicContact CD1-CB 3.76Å; L162-L176 HydrophobicContact CD1-CD1 3.78Å; L162-L176 HydrophobicContact CD1-CG 4.44Å; D173-L176 HydrophobicContact CB-CD1 4.41Å; D173-L176 HydrophobicContact CB-CG 4.28Å; D173-L176 WeakPolarHBondContact O-CB 3.21Å; D173-L176 WeakPolarHBondContact O-CG 3.47Å; D173-L176 PolarHBondContact O-N 3.07Å; S174-L176 PolarHBondContact O-N 3.46Å; L176-V180 WeakPolarHBondContact O-CG2 3.39Å |
| 177 | V | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -82.7 | -42.7 | 177.7 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | A159 L162 V163 F172 S174 G179 V180 R181 F202 Y248 | A159-V177 HydrophobicContact CB-CG2 4.19Å; L162-V177 HydrophobicContact CB-CG2 4.23Å; L162-V177 HydrophobicContact CD1-CG2 4.4Å; V163-V177 HydrophobicContact CG2-CG1 4.06Å; V163-V177 HydrophobicContact CG2-CG2 3.96Å; F172-V177 HydrophobicContact CE2-CB 4.3Å; F172-V177 HydrophobicContact CE2-CG2 3.49Å; F172-V177 VanDerWaalsContact CE2-CG2 3.49Å; F172-V177 HydrophobicContact CZ-CG2 3.66Å; S174-V177 PolarHBondContact O-N 2.85Å; S174-V177 VanDerWaalsContact O-N 3.16Å; V177-G179 PolarHBondContact O-N 2.96Å; V177-V180 PolarHBondContact O-N 3.18Å; V177-R181 PolarHBondContact O-N 2.83Å; V177-F202 HydrophobicContact CG1-CZ 3.93Å; V177-Y248 HydrophobicContact CB-CD1 3.98Å; V177-Y248 HydrophobicContact CB-CE1 4.21Å; V177-Y248 HydrophobicContact CB-CG 4.44Å; V177-Y248 HydrophobicContact CG1-CD1 3.78Å; V177-Y248 HydrophobicContact CG1-CD2 4.4Å; V177-Y248 HydrophobicContact CG1-CE1 4.43Å; V177-Y248 HydrophobicContact CG1-CG 3.78Å |
| 178 | I | 94.7 | Very high | 91.8 | Very high | 20 Ų | 20 | 36.3 Ų | 36.3 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.9 | -47.9 | 178.7 | -69 | 168.4 | 0 | 0 | 0 | 110.8 | S174 V180 R181 E182 Y248 | S174-I178 WeakPolarHBondContact O-CB 3.39Å; S174-I178 VanDerWaalsContact O-CG1 3.3Å; S174-I178 WeakPolarHBondContact O-CG1 3.46Å; S174-I178 PolarHBondContact O-N 3.34Å; I178-V180 VanDerWaalsContact C-N 3.33Å; I178-V180 PolarHBondContact O-N 2.91Å; I178-R181 WeakPolarHBondContact O-CB 3.18Å; I178-R181 PolarHBondContact O-N 3.36Å; I178-E182 HydrophobicContact CG2-CG 4.2Å; I178-E182 WeakPolarHBondContact O-CG 3.36Å; I178-E182 PolarHBondContact O-N 3.5Å; I178-Y248 HydrophobicContact CG1-CD1 4.08Å |
| 179 | G | 93.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.3 | -27 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q175 V177 S183 | Q175-G179 PolarHBondContact O-N 3.33Å; V177-G179 PolarHBondContact O-N 2.96Å; G179-S183 WeakPolarHBondContact O-CB 3.25Å; G179-S183 PolarHBondContact O-N 3.36Å; G179-S183 PolarHBondContact O-OG 3.33Å |
| 180 | V | 94.9 | Very high | 90 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.5 | -46.3 | 169.9 | 176.1 | 0 | 0 | 0 | 0 | 110.2 | L90 I94 L155 A159 L176 V177 I178 E182 S183 Y184 F202 | L90-V180 HydrophobicContact CD1-CG2 3.47Å; L90-V180 VanDerWaalsContact CD1-CG2 3.47Å; I94-V180 HydrophobicContact CD1-CG2 4.15Å; L155-V180 HydrophobicContact CB-CG1 4.45Å; L155-V180 HydrophobicContact CB-CG2 4.13Å; A159-V180 HydrophobicContact CB-CB 4.38Å; A159-V180 HydrophobicContact CB-CG1 4.42Å; A159-V180 HydrophobicContact CB-CG2 4.29Å; L176-V180 WeakPolarHBondContact O-CG2 3.39Å; V177-V180 PolarHBondContact O-N 3.18Å; I178-V180 VanDerWaalsContact C-N 3.33Å; I178-V180 PolarHBondContact O-N 2.91Å; V180-E182 PolarHBondContact O-N 3.44Å; V180-S183 WeakPolarHBondContact O-CB 3.32Å; V180-S183 PolarHBondContact O-N 3.49Å; V180-Y184 HydrophobicContact CG1-CD2 3.97Å; V180-Y184 HydrophobicContact CG1-CE2 3.95Å; V180-Y184 WeakPolarHBondContact O-CD2 3.08Å; V180-Y184 PolarHBondContact O-N 2.82Å; V180-Y184 VanDerWaalsContact O-N 3.08Å; V180-F202 HydrophobicContact CB-CE2 4.22Å; V180-F202 HydrophobicContact CG1-CD2 3.84Å; V180-F202 HydrophobicContact CG1-CE2 3.83Å |
| 181 | R | 94 | Very high | 89 | Confident | 27 Ų | 27 | 32.5 Ų | 32.5 | 10% | 0.102 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -47.6 | 174.3 | 177.6 | -94.7 | -60.6 | -175.6 | 5.3 | 111.6 | V177 I178 S183 Y184 V185 Y198 F202 Y248 E250 | V177-R181 PolarHBondContact O-N 2.83Å; I178-R181 WeakPolarHBondContact O-CB 3.18Å; I178-R181 PolarHBondContact O-N 3.36Å; R181-S183 VanDerWaalsContact C-N 3.25Å; R181-S183 PolarHBondContact O-N 3.13Å; R181-Y184 PolarHBondContact O-N 3.48Å; R181-Y184 VanDerWaalsContact O-N 3.15Å; R181-V185 HydrophobicContact CG-CG2 4.4Å; R181-V185 WeakPolarHBondContact O-CG2 3.14Å; R181-V185 PolarHBondContact O-N 2.89Å; R181-Y198 HydrophobicContact CG-CD2 4.17Å; R181-Y198 HydrophobicContact CG-CE2 3.62Å; R181-F202 HydrophobicContact CB-CD1 4.26Å; R181-F202 HydrophobicContact CB-CE1 3.82Å; R181-F202 HydrophobicContact CB-CE2 4.22Å; R181-F202 HydrophobicContact CB-CZ 3.8Å; R181-F202 HydrophobicContact CG-CD1 4.31Å; R181-F202 HydrophobicContact CG-CE1 4.08Å; R181-Y248 WeakPolarHBondContact CG-O 3.39Å; R181-Y248 PolarHBondContact NE-O 2.87Å; R181-E250 IonicContact CZ-OE2 3.76Å; R181-E250 IonicContact NH1-OE1 2.8Å; R181-E250 IonicContact NH1-OE2 3.36Å; R181-E250 PolarHBondContact NH1-OE2 3.42Å |
| 182 | E | 92.3 | Very high | 88.4 | Confident | 45 Ų | 45 | 36.5 Ų | 36.5 | 21% | 0.21 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61 | -34.6 | 177.3 | -73.9 | 175.4 | 163.3 | 0 | 0 | 112.4 | I178 V180 V185 N186 | I178-E182 HydrophobicContact CG2-CG 4.2Å; I178-E182 WeakPolarHBondContact O-CG 3.36Å; I178-E182 PolarHBondContact O-N 3.5Å; V180-E182 PolarHBondContact O-N 3.44Å; E182-V185 PolarHBondContact O-N 3.43Å; E182-N186 VanDerWaalsContact O-CB 3.31Å; E182-N186 WeakPolarHBondContact O-CB 3.42Å; E182-N186 PolarHBondContact O-N 3.09Å; E182-N186 PolarHBondContact O-ND2 3.39Å |
| 183 | S | 92.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -48.6 | 173.9 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | Y93 F148 G179 V180 R181 V185 L187 | Y93-S183 WeakPolarHBondContact CE1-OG 3.34Å; Y93-S183 WeakPolarHBondContact OH-CB 3.47Å; Y93-S183 PolarHBondContact OH-OG 2.95Å; F148-S183 VanDerWaalsContact CE2-CB 3.47Å; G179-S183 WeakPolarHBondContact O-CB 3.25Å; G179-S183 PolarHBondContact O-N 3.36Å; G179-S183 PolarHBondContact O-OG 3.33Å; V180-S183 WeakPolarHBondContact O-CB 3.32Å; V180-S183 PolarHBondContact O-N 3.49Å; R181-S183 VanDerWaalsContact C-N 3.25Å; R181-S183 PolarHBondContact O-N 3.13Å; S183-V185 VanDerWaalsContact C-N 3.34Å; S183-V185 PolarHBondContact O-N 2.96Å; S183-L187 WeakPolarHBondContact O-CB 3.33Å; S183-L187 WeakPolarHBondContact O-CD1 3.46Å; S183-L187 WeakPolarHBondContact O-CG 3.32Å; S183-L187 PolarHBondContact O-N 3.39Å |
| 184 | Y | 92.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -38 | 177.1 | -86.7 | -69.2 | 0 | 0 | 0 | 113.8 | F148 K152 Q156 V180 R181 I197 N201 F202 | F148-Y184 HydrophobicContact CE1-CD1 4.02Å; F148-Y184 HydrophobicContact CE1-CE1 4.04Å; F148-Y184 HydrophobicContact CE1-CG 4.4Å; F148-Y184 HydrophobicContact CE2-CD2 4.48Å; F148-Y184 HydrophobicContact CE2-CE2 4.44Å; F148-Y184 AromaticContact CZ-CD1 3.76Å; F148-Y184 HydrophobicContact CZ-CD1 3.76Å; F148-Y184 AromaticContact CZ-CD2 3.77Å; F148-Y184 HydrophobicContact CZ-CD2 3.77Å; F148-Y184 AromaticContact CZ-CE1 3.76Å; F148-Y184 HydrophobicContact CZ-CE1 3.76Å; F148-Y184 AromaticContact CZ-CE2 3.81Å; F148-Y184 HydrophobicContact CZ-CE2 3.81Å; F148-Y184 AromaticContact CZ-CG 3.77Å; F148-Y184 HydrophobicContact CZ-CG 3.77Å; F148-Y184 AromaticContact CZ-CZ 3.81Å; K152-Y184 PolarHBondContact O-OH 3.19Å; Q156-Y184 HydrophobicContact CB-CE2 4.25Å; Q156-Y184 PolarHBondContact OE1-OH 3.39Å; V180-Y184 HydrophobicContact CG1-CD2 3.97Å; V180-Y184 HydrophobicContact CG1-CE2 3.95Å; V180-Y184 WeakPolarHBondContact O-CD2 3.08Å; V180-Y184 PolarHBondContact O-N 2.82Å; V180-Y184 VanDerWaalsContact O-N 3.08Å; R181-Y184 PolarHBondContact O-N 3.48Å; R181-Y184 VanDerWaalsContact O-N 3.15Å; Y184-I197 HydrophobicContact CD1-CG2 3.98Å; Y184-I197 HydrophobicContact CE1-CG2 4.33Å; Y184-N201 HydrophobicContact CD1-CB 4.11Å; Y184-N201 HydrophobicContact CE1-CB 3.45Å; Y184-N201 VanDerWaalsContact CE1-CB 3.45Å; Y184-F202 HydrophobicContact CD2-CB 3.6Å; Y184-F202 AromaticContact CD2-CD2 3.87Å; Y184-F202 HydrophobicContact CD2-CD2 3.87Å; Y184-F202 HydrophobicContact CD2-CG 4.11Å; Y184-F202 HydrophobicContact CE2-CB 3.99Å; Y184-F202 HydrophobicContact CE2-CD2 4.14Å; Y184-F202 HydrophobicContact CG-CB 3.92Å |
| 185 | V | 90.5 | Very high | 87.1 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.9 | -45.2 | 180 | 171 | 0 | 0 | 0 | 0 | 111.9 | R181 E182 S183 L195 Y198 E250 | R181-V185 HydrophobicContact CG-CG2 4.4Å; R181-V185 WeakPolarHBondContact O-CG2 3.14Å; R181-V185 PolarHBondContact O-N 2.89Å; E182-V185 PolarHBondContact O-N 3.43Å; S183-V185 VanDerWaalsContact C-N 3.34Å; S183-V185 PolarHBondContact O-N 2.96Å; V185-L195 HydrophobicContact CG1-CD2 3.92Å; V185-L195 HydrophobicContact CG2-CD2 4.11Å; V185-Y198 HydrophobicContact CG2-CD1 4.41Å; V185-Y198 HydrophobicContact CG2-CD2 3.74Å; V185-Y198 HydrophobicContact CG2-CE2 4.36Å; V185-Y198 HydrophobicContact CG2-CG 3.78Å; V185-E250 HydrophobicContact CG2-CB 4.28Å; V185-E250 HydrophobicContact CG2-CG 4.16Å |
| 186 | N | 88.4 | Confident | 86.8 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 11% | 0.107 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -89.3 | -20.6 | -171.6 | -62.5 | -68.3 | 0 | 0 | 0 | 113.9 | W97 F101 E182 C188 R252 | W97-N186 HydrophobicContact CZ2-CB 4.45Å; F101-N186 HydrophobicContact CE2-CB 3.8Å; F101-N186 WeakPolarHBondContact CE2-ND2 3.33Å; F101-N186 HydrophobicContact CZ-CB 4.46Å; F101-N186 WeakPolarHBondContact CZ-ND2 3.41Å; E182-N186 VanDerWaalsContact O-CB 3.31Å; E182-N186 WeakPolarHBondContact O-CB 3.42Å; E182-N186 PolarHBondContact O-N 3.09Å; E182-N186 PolarHBondContact O-ND2 3.39Å; N186-C188 VanDerWaalsContact C-N 3.29Å; N186-R252 PolarHBondContact OD1-NH2 2.57Å |
| 187 | L | 88 | Confident | 86.4 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 9.4 | 178.1 | -59.2 | 171.9 | 0 | 0 | 0 | 112.9 | W97 L140 W143 N144 F148 S183 S189 | W97-L187 HydrophobicContact CH2-CD1 4.04Å; W97-L187 HydrophobicContact CH2-CD2 3.63Å; W97-L187 HydrophobicContact CH2-CG 3.72Å; W97-L187 HydrophobicContact CZ3-CD1 4.09Å; W97-L187 HydrophobicContact CZ3-CD2 3.79Å; W97-L187 HydrophobicContact CZ3-CG 4.14Å; L140-L187 HydrophobicContact CB-CD2 4.13Å; L140-L187 HydrophobicContact CD2-CD2 3.96Å; L140-L187 VanDerWaalsContact O-CD2 3.28Å; L140-L187 WeakPolarHBondContact O-CD2 3.27Å; W143-L187 HydrophobicContact CB-CD2 4.32Å; W143-L187 HydrophobicContact CG-CD2 4.45Å; N144-L187 HydrophobicContact CB-CB 4.2Å; N144-L187 HydrophobicContact CB-CD2 4.23Å; F148-L187 HydrophobicContact CB-CD1 3.6Å; F148-L187 HydrophobicContact CD1-CD1 3.55Å; F148-L187 HydrophobicContact CD2-CD1 4.09Å; F148-L187 HydrophobicContact CE1-CD1 4.2Å; F148-L187 HydrophobicContact CG-CD1 3.48Å; F148-L187 VanDerWaalsContact CG-CD1 3.48Å; S183-L187 WeakPolarHBondContact O-CB 3.33Å; S183-L187 WeakPolarHBondContact O-CD1 3.46Å; S183-L187 WeakPolarHBondContact O-CG 3.32Å; S183-L187 PolarHBondContact O-N 3.39Å; L187-S189 PolarHBondContact O-N 3.28Å |
| 188 | C | 79.1 | Confident | 86.3 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 12% | 0.122 | 22% | 0.216 | C | C | . | . | trans | -74.2 | 115.6 | 175 | -171.4 | 0 | 0 | 0 | 0 | 110.7 | N186 N190 K194 I197 | N186-C188 VanDerWaalsContact C-N 3.29Å; C188-N190 VanDerWaalsContact C-N 3.31Å; C188-K194 WeakPolarHBondContact CB-O 3.28Å; C188-K194 PolarHBondContact SG-O 3.05Å; C188-I197 HydrophobicContact CB-CD1 4.32Å; C188-I197 HydrophobicContact CB-CG1 4.47Å | ||
| 189 | S | 72.3 | Confident | 86.2 | Confident | 62 Ų | 62 | 43.8 Ų | 43.8 | 43% | 0.434 | 22% | 0.224 | S | C | . | . | trans | -86.5 | 2.8 | 177.9 | -46.1 | 0 | 0 | 0 | 0 | 113.4 | D141 L187 P191 | D141-S189 PolarHBondContact OD1-OG 2.8Å; L187-S189 PolarHBondContact O-N 3.28Å; S189-P191 VanDerWaalsContact O-CD 3.28Å; S189-P191 WeakPolarHBondContact O-CD 3.45Å | ||
| 190 | N | 74.3 | Confident | 86.1 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 23% | 0.225 | 25% | 0.247 | C | C | . | . | trans | -76.9 | 115.6 | 178.5 | -174.6 | -12.2 | 0 | 0 | 0 | 110.5 | C188 E192 D193 Q196 | C188-N190 VanDerWaalsContact C-N 3.31Å; N190-E192 PolarHBondContact OD1-N 3.43Å; N190-D193 PolarHBondContact OD1-N 2.82Å; N190-Q196 PolarHBondContact ND2-OE1 3.13Å | ||
| 191 | P | 71.3 | Confident | 86 | Confident | 115 Ų | 115 | 50.1 Ų | 50.1 | 75% | 0.747 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -74.1 | -22.8 | -179.4 | 29.3 | -33.5 | 0 | 0 | 0 | 114.2 | S189 | S189-P191 VanDerWaalsContact O-CD 3.28Å; S189-P191 WeakPolarHBondContact O-CD 3.45Å |
| 192 | E | 77.5 | Confident | 86 | Confident | 188 Ų | 188 | 48.8 Ų | 48.8 | 88% | 0.879 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -84.7 | -36.1 | -179.6 | -63.1 | -173.5 | 167.3 | 0 | 0 | 111.9 | N190 | N190-E192 PolarHBondContact OD1-N 3.43Š|
| 193 | D | 81.5 | Confident | 86.1 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | trans | -142.4 | 91.4 | -178.3 | -170.1 | -20.6 | 0 | 0 | 0 | 111.2 | N190 L195 Q196 R199 | N190-D193 PolarHBondContact OD1-N 2.82Å; D193-L195 PolarHBondContact O-N 2.59Å; D193-L195 PolarHBondContact OD1-N 3.29Å; D193-Q196 HydrophobicContact CB-CB 4.27Å; D193-Q196 PolarHBondContact O-N 2.84Å; D193-Q196 PolarHBondContact OD1-N 3.05Å; D193-R199 IonicContact OD1-CZ 2.93Å; D193-R199 IonicContact OD1-NH1 3.6Å; D193-R199 PolarHBondContact OD1-NH1 3.49Å; D193-R199 IonicContact OD1-NH2 2.69Å; D193-R199 IonicContact OD2-CZ 3.26Å; D193-R199 IonicContact OD2-NH1 3.62Å; D193-R199 PolarHBondContact OD2-NH1 3Å; D193-R199 IonicContact OD2-NH2 3.24Å; D193-R199 PolarHBondContact OD2-NH2 2.63Å | ||
| 194 | K | 80.4 | Confident | 86.3 | Confident | 104 Ų | 104 | 53.1 Ų | 53.1 | 45% | 0.452 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -12.2 | -179.1 | -62.9 | -172.9 | -176.8 | -176.8 | 0 | 113.2 | E131 C188 | E131-K194 IonicContact OE2-NZ 3.35Å; C188-K194 WeakPolarHBondContact CB-O 3.28Å; C188-K194 PolarHBondContact SG-O 3.05Å |
| 195 | L | 86.9 | Confident | 86.4 | Confident | 29 Ų | 29 | 54 Ų | 54 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -5.5 | -177.2 | -67.5 | 176.7 | 0 | 0 | 0 | 113.6 | V185 D193 I197 Y198 R199 E250 C255 | V185-L195 HydrophobicContact CG1-CD2 3.92Å; V185-L195 HydrophobicContact CG2-CD2 4.11Å; D193-L195 PolarHBondContact O-N 2.59Å; D193-L195 PolarHBondContact OD1-N 3.29Å; L195-I197 PolarHBondContact O-N 2.88Å; L195-Y198 HydrophobicContact CD2-CD1 4.32Å; L195-Y198 WeakPolarHBondContact O-CB 3.4Å; L195-Y198 PolarHBondContact O-N 2.9Å; L195-Y198 VanDerWaalsContact O-N 3.09Å; L195-R199 VanDerWaalsContact CB-NH1 3.31Å; L195-R199 WeakPolarHBondContact O-CG 3.37Å; L195-R199 PolarHBondContact O-N 3.37Å; L195-E250 HydrophobicContact CD2-CG 4.13Å; L195-C255 HydrophobicContact CD1-CB 3.9Å |
| 196 | Q | 87.3 | Confident | 86.7 | Confident | 76 Ų | 76 | 53.6 Ų | 53.6 | 36% | 0.355 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52.6 | -51.2 | -176.3 | -175.6 | -178.3 | 17 | 0 | 0 | 113.2 | N190 D193 Y198 R199 D200 | N190-Q196 PolarHBondContact ND2-OE1 3.13Å; D193-Q196 HydrophobicContact CB-CB 4.27Å; D193-Q196 PolarHBondContact O-N 2.84Å; D193-Q196 PolarHBondContact OD1-N 3.05Å; Q196-Y198 VanDerWaalsContact C-N 3.29Å; Q196-Y198 PolarHBondContact O-N 3.06Å; Q196-R199 PolarHBondContact O-N 3.49Å; Q196-D200 WeakPolarHBondContact CG-OD2 3.5Å; Q196-D200 WeakPolarHBondContact O-CB 3.35Å; Q196-D200 PolarHBondContact O-N 3.27Å |
| 197 | I | 88.3 | Confident | 87.1 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 28% | 0.282 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -37 | -178.1 | -56.7 | -176.6 | 0 | 0 | 0 | 110.9 | Y184 C188 L195 N201 | Y184-I197 HydrophobicContact CD1-CG2 3.98Å; Y184-I197 HydrophobicContact CE1-CG2 4.33Å; C188-I197 HydrophobicContact CB-CD1 4.32Å; C188-I197 HydrophobicContact CB-CG1 4.47Å; L195-I197 PolarHBondContact O-N 2.88Å; I197-N201 WeakPolarHBondContact O-CB 3.17Å; I197-N201 PolarHBondContact O-N 2.84Å; I197-N201 PolarHBondContact O-ND2 3.28Å |
| 198 | Y | 92.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -60.9 | -47.1 | 174.3 | 162.3 | -102.4 | 0 | 0 | 0 | 111.4 | R181 V185 L195 Q196 F202 E203 E250 S257 | R181-Y198 HydrophobicContact CG-CD2 4.17Å; R181-Y198 HydrophobicContact CG-CE2 3.62Å; V185-Y198 HydrophobicContact CG2-CD1 4.41Å; V185-Y198 HydrophobicContact CG2-CD2 3.74Å; V185-Y198 HydrophobicContact CG2-CE2 4.36Å; V185-Y198 HydrophobicContact CG2-CG 3.78Å; L195-Y198 HydrophobicContact CD2-CD1 4.32Å; L195-Y198 WeakPolarHBondContact O-CB 3.4Å; L195-Y198 PolarHBondContact O-N 2.9Å; L195-Y198 VanDerWaalsContact O-N 3.09Å; Q196-Y198 VanDerWaalsContact C-N 3.29Å; Q196-Y198 PolarHBondContact O-N 3.06Å; Y198-F202 HydrophobicContact CD2-CB 3.96Å; Y198-F202 HydrophobicContact CD2-CD1 4.11Å; Y198-F202 HydrophobicContact CD2-CG 4.36Å; Y198-F202 HydrophobicContact CE2-CB 4.2Å; Y198-F202 AromaticContact CE2-CD1 3.5Å; Y198-F202 HydrophobicContact CE2-CD1 3.5Å; Y198-F202 HydrophobicContact CE2-CE1 4.28Å; Y198-F202 HydrophobicContact CE2-CG 4.19Å; Y198-F202 PolarHBondContact O-N 3.05Å; Y198-E203 HydrophobicContact CE1-CB 4.08Å; Y198-E203 PolarHBondContact O-N 3.3Å; Y198-E250 HydrophobicContact CD1-CB 4.49Å; Y198-E250 HydrophobicContact CE1-CB 3.81Å; Y198-E250 HydrophobicContact CE2-CB 4.39Å; Y198-E250 PolarHBondContact OH-N 3.28Å; Y198-S257 WeakPolarHBondContact CE1-OG 3.38Å; Y198-S257 PolarHBondContact OH-OG 2.8Å |
| 199 | R | 92.3 | Very high | 88.2 | Confident | 69 Ų | 69 | 58.5 Ų | 58.5 | 26% | 0.26 | 30% | 0.303 | S | S | . | . | I | π-helix | trans | -65.2 | -47.9 | -179.7 | -63.7 | -161.4 | -56.1 | -83.1 | -14.2 | 112.4 | D193 L195 Q196 N201 E203 K204 | D193-R199 IonicContact OD1-CZ 2.93Å; D193-R199 IonicContact OD1-NH1 3.6Å; D193-R199 PolarHBondContact OD1-NH1 3.49Å; D193-R199 IonicContact OD1-NH2 2.69Å; D193-R199 IonicContact OD2-CZ 3.26Å; D193-R199 IonicContact OD2-NH1 3.62Å; D193-R199 PolarHBondContact OD2-NH1 3Å; D193-R199 IonicContact OD2-NH2 3.24Å; D193-R199 PolarHBondContact OD2-NH2 2.63Å; L195-R199 VanDerWaalsContact CB-NH1 3.31Å; L195-R199 WeakPolarHBondContact O-CG 3.37Å; L195-R199 PolarHBondContact O-N 3.37Å; Q196-R199 PolarHBondContact O-N 3.49Å; R199-N201 PolarHBondContact O-N 3.02Å; R199-E203 WeakPolarHBondContact CA-OE2 3.42Å; R199-E203 VanDerWaalsContact CB-OE2 3.22Å; R199-E203 WeakPolarHBondContact CB-OE2 3.36Å; R199-E203 WeakPolarHBondContact CG-OE2 3.26Å; R199-K204 WeakPolarHBondContact O-CB 3.45Å; R199-K204 PolarHBondContact O-N 3.48Å; R199-K204 VanDerWaalsContact O-N 3.12Å |
| 200 | D | 90.9 | Very high | 89.3 | Confident | 93 Ų | 93 | 55.5 Ų | 55.5 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -69 | -18.1 | -176.2 | -69.6 | -17.9 | 0 | 0 | 0 | 114.1 | Q196 | Q196-D200 WeakPolarHBondContact CG-OD2 3.5Å; Q196-D200 WeakPolarHBondContact O-CB 3.35Å; Q196-D200 PolarHBondContact O-N 3.27Å |
| 201 | N | 92.5 | Very high | 90.3 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.219 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -121.9 | -74.6 | -174.5 | -60.1 | -93.7 | 0 | 0 | 0 | 112.1 | Q156 Y184 I197 R199 A205 | Q156-N201 PolarHBondContact OE1-O 3.01Å; Y184-N201 HydrophobicContact CD1-CB 4.11Å; Y184-N201 HydrophobicContact CE1-CB 3.45Å; Y184-N201 VanDerWaalsContact CE1-CB 3.45Å; I197-N201 WeakPolarHBondContact O-CB 3.17Å; I197-N201 PolarHBondContact O-N 2.84Å; I197-N201 PolarHBondContact O-ND2 3.28Å; R199-N201 PolarHBondContact O-N 3.02Å; N201-A205 VanDerWaalsContact O-CB 3.22Å; N201-A205 WeakPolarHBondContact O-CB 3.38Å; N201-A205 PolarHBondContact O-N 3.12Å |
| 202 | F | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -69.4 | -51 | -171.6 | -175.1 | -86.6 | 0 | 0 | 0 | 112.2 | A159 M160 V177 V180 R181 Y184 Y198 A205 Y206 L249 | A159-F202 HydrophobicContact CB-CE2 4.44Å; M160-F202 HydrophobicContact CE-CD2 3.95Å; M160-F202 HydrophobicContact CE-CE1 4.43Å; M160-F202 HydrophobicContact CE-CE2 3.57Å; M160-F202 HydrophobicContact CE-CZ 3.85Å; V177-F202 HydrophobicContact CG1-CZ 3.93Å; V180-F202 HydrophobicContact CB-CE2 4.22Å; V180-F202 HydrophobicContact CG1-CD2 3.84Å; V180-F202 HydrophobicContact CG1-CE2 3.83Å; R181-F202 HydrophobicContact CB-CD1 4.26Å; R181-F202 HydrophobicContact CB-CE1 3.82Å; R181-F202 HydrophobicContact CB-CE2 4.22Å; R181-F202 HydrophobicContact CB-CZ 3.8Å; R181-F202 HydrophobicContact CG-CD1 4.31Å; R181-F202 HydrophobicContact CG-CE1 4.08Å; Y184-F202 HydrophobicContact CD2-CB 3.6Å; Y184-F202 AromaticContact CD2-CD2 3.87Å; Y184-F202 HydrophobicContact CD2-CD2 3.87Å; Y184-F202 HydrophobicContact CD2-CG 4.11Å; Y184-F202 HydrophobicContact CE2-CB 3.99Å; Y184-F202 HydrophobicContact CE2-CD2 4.14Å; Y184-F202 HydrophobicContact CG-CB 3.92Å; Y198-F202 HydrophobicContact CD2-CB 3.96Å; Y198-F202 HydrophobicContact CD2-CD1 4.11Å; Y198-F202 HydrophobicContact CD2-CG 4.36Å; Y198-F202 HydrophobicContact CE2-CB 4.2Å; Y198-F202 AromaticContact CE2-CD1 3.5Å; Y198-F202 HydrophobicContact CE2-CD1 3.5Å; Y198-F202 HydrophobicContact CE2-CE1 4.28Å; Y198-F202 HydrophobicContact CE2-CG 4.19Å; Y198-F202 PolarHBondContact O-N 3.05Å; F202-A205 PolarHBondContact O-N 3.01Å; F202-Y206 HydrophobicContact CE1-CD2 4.14Å; F202-Y206 HydrophobicContact CZ-CD2 4.41Å; F202-Y206 VanDerWaalsContact O-CB 3.27Å; F202-Y206 WeakPolarHBondContact O-CB 3.16Å; F202-Y206 PolarHBondContact O-N 3.16Å; F202-L249 HydrophobicContact CE1-CD2 4.22Å |
| 203 | E | 95 | Very high | 92.3 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -60.4 | -50.8 | 178.5 | -177.2 | -176.1 | -131 | 0 | 0 | 110 | Y198 R199 A205 Y206 L207 S257 | Y198-E203 HydrophobicContact CE1-CB 4.08Å; Y198-E203 PolarHBondContact O-N 3.3Å; R199-E203 WeakPolarHBondContact CA-OE2 3.42Å; R199-E203 VanDerWaalsContact CB-OE2 3.22Å; R199-E203 WeakPolarHBondContact CB-OE2 3.36Å; R199-E203 WeakPolarHBondContact CG-OE2 3.26Å; E203-A205 PolarHBondContact O-N 3.46Å; E203-Y206 CarbonylContact O-C 3.56Å; E203-Y206 WeakPolarHBondContact O-CA 3.38Å; E203-Y206 WeakPolarHBondContact O-CB 3.11Å; E203-Y206 PolarHBondContact O-N 3.35Å; E203-L207 HydrophobicContact CG-CD1 4.08Å; E203-L207 HydrophobicContact CG-CG 4.31Å; E203-L207 WeakPolarHBondContact O-CG 3.35Å; E203-L207 PolarHBondContact O-N 2.91Å; E203-S257 WeakPolarHBondContact OE1-CA 3.13Å; E203-S257 WeakPolarHBondContact OE1-CB 3.48Å; E203-S257 PolarHBondContact OE1-OG 2.86Å |
| 204 | K | 95.3 | Very high | 93 | Very high | 120 Ų | 120 | 50.6 Ų | 50.6 | 52% | 0.522 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -53 | -50.5 | 176.4 | -176.5 | 175.7 | -178.5 | 177.3 | 0 | 112.7 | R199 Y206 L207 D208 | R199-K204 WeakPolarHBondContact O-CB 3.45Å; R199-K204 PolarHBondContact O-N 3.48Å; R199-K204 VanDerWaalsContact O-N 3.12Å; K204-Y206 VanDerWaalsContact C-N 3.28Å; K204-Y206 PolarHBondContact O-N 2.96Å; K204-L207 PolarHBondContact O-N 3.27Å; K204-D208 WeakPolarHBondContact O-CB 3.37Å; K204-D208 PolarHBondContact O-N 3.18Å |
| 205 | A | 95.9 | Very high | 93.6 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -33.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q156 M160 N201 F202 E203 S209 | Q156-A205 HydrophobicContact CG-CB 4.03Å; M160-A205 HydrophobicContact CG-CB 4.35Å; N201-A205 VanDerWaalsContact O-CB 3.22Å; N201-A205 WeakPolarHBondContact O-CB 3.38Å; N201-A205 PolarHBondContact O-N 3.12Å; F202-A205 PolarHBondContact O-N 3.01Å; E203-A205 PolarHBondContact O-N 3.46Å; A205-S209 WeakPolarHBondContact O-CB 3.5Å; A205-S209 PolarHBondContact O-N 2.97Å |
| 206 | Y | 96.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 174.8 | -165.4 | -75.2 | 0 | 0 | 0 | 111.1 | M160 V163 F202 E203 K204 S209 T210 R244 Y248 L249 L261 | M160-Y206 HydrophobicContact CE-CD2 4.12Å; M160-Y206 HydrophobicContact SD-CD2 4.16Å; M160-Y206 HydrophobicContact SD-CG 4.45Å; V163-Y206 HydrophobicContact CG1-CE2 3.93Å; V163-Y206 HydrophobicContact CG2-CE2 3.97Å; F202-Y206 HydrophobicContact CE1-CD2 4.14Å; F202-Y206 HydrophobicContact CZ-CD2 4.41Å; F202-Y206 VanDerWaalsContact O-CB 3.27Å; F202-Y206 WeakPolarHBondContact O-CB 3.16Å; F202-Y206 PolarHBondContact O-N 3.16Å; E203-Y206 CarbonylContact O-C 3.56Å; E203-Y206 WeakPolarHBondContact O-CA 3.38Å; E203-Y206 WeakPolarHBondContact O-CB 3.11Å; E203-Y206 PolarHBondContact O-N 3.35Å; K204-Y206 VanDerWaalsContact C-N 3.28Å; K204-Y206 PolarHBondContact O-N 2.96Å; Y206-S209 PolarHBondContact O-N 3.16Å; Y206-T210 WeakPolarHBondContact O-CB 3.5Å; Y206-T210 PolarHBondContact O-N 3.07Å; Y206-T210 PolarHBondContact O-OG1 2.65Å; Y206-R244 WeakPolarHBondContact OH-CD 3.5Å; Y206-R244 WeakPolarHBondContact OH-CG 3.34Å; Y206-Y248 HydrophobicContact CE2-CD2 4.48Å; Y206-L249 HydrophobicContact CD1-CD1 4.44Å; Y206-L249 HydrophobicContact CD1-CD2 3.91Å; Y206-L249 HydrophobicContact CD2-CD2 3.94Å; Y206-L249 HydrophobicContact CE1-CD1 4.42Å; Y206-L249 HydrophobicContact CE1-CD2 4.24Å; Y206-L249 HydrophobicContact CE1-CG 4.45Å; Y206-L249 HydrophobicContact CE2-CD2 4.25Å; Y206-L249 HydrophobicContact CG-CD2 3.76Å; Y206-L261 HydrophobicContact CD1-CD1 3.81Å; Y206-L261 HydrophobicContact CE1-CD1 3.71Å; Y206-L261 HydrophobicContact CE1-CD2 3.74Å; Y206-L261 HydrophobicContact CE1-CG 4.37Å |
| 207 | L | 96.2 | Very high | 94.2 | Very high | 33 Ų | 33 | 57 Ų | 57 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.9 | -52.1 | 176.5 | -64.1 | 178.3 | 0 | 0 | 0 | 110.9 | E203 K204 S209 T210 E211 A260 L261 C264 | E203-L207 HydrophobicContact CG-CD1 4.08Å; E203-L207 HydrophobicContact CG-CG 4.31Å; E203-L207 WeakPolarHBondContact O-CG 3.35Å; E203-L207 PolarHBondContact O-N 2.91Å; K204-L207 PolarHBondContact O-N 3.27Å; L207-S209 VanDerWaalsContact C-N 3.3Å; L207-S209 PolarHBondContact O-N 3.41Å; L207-T210 WeakPolarHBondContact O-CA 3.37Å; L207-T210 WeakPolarHBondContact O-CB 3.3Å; L207-T210 PolarHBondContact O-N 2.99Å; L207-E211 PolarHBondContact O-N 2.85Å; L207-A260 HydrophobicContact CD1-CB 4.4Å; L207-L261 VanDerWaalsContact CD2-CA 3.4Å; L207-L261 HydrophobicContact CD2-CB 3.87Å; L207-L261 HydrophobicContact CD2-CD1 3.69Å; L207-L261 HydrophobicContact CD2-CG 4.41Å; L207-C264 HydrophobicContact CD2-CB 4.21Å |
| 208 | D | 95.9 | Very high | 94.5 | Very high | 84 Ų | 84 | 54.4 Ų | 54.4 | 45% | 0.449 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.9 | -41.8 | -180 | -70.3 | -12.9 | 0 | 0 | 0 | 111.9 | K204 R212 | K204-D208 WeakPolarHBondContact O-CB 3.37Å; K204-D208 PolarHBondContact O-N 3.18Å; D208-R212 VanDerWaalsContact O-CB 3.26Å; D208-R212 WeakPolarHBondContact O-CB 3.44Å; D208-R212 PolarHBondContact O-N 3.04Å |
| 209 | S | 95 | Very high | 94.6 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -40.9 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | A205 Y206 L207 F213 | A205-S209 WeakPolarHBondContact O-CB 3.5Å; A205-S209 PolarHBondContact O-N 2.97Å; Y206-S209 PolarHBondContact O-N 3.16Å; L207-S209 VanDerWaalsContact C-N 3.3Å; L207-S209 PolarHBondContact O-N 3.41Å; S209-F213 WeakPolarHBondContact O-CB 3.49Å; S209-F213 PolarHBondContact O-N 3.44Å |
| 210 | T | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.9 | -48.9 | 177.9 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | R167 Y206 L207 R212 F213 Y214 L261 C265 | R167-T210 PolarHBondContact NH2-OG1 2.99Å; Y206-T210 WeakPolarHBondContact O-CB 3.5Å; Y206-T210 PolarHBondContact O-N 3.07Å; Y206-T210 PolarHBondContact O-OG1 2.65Å; L207-T210 WeakPolarHBondContact O-CA 3.37Å; L207-T210 WeakPolarHBondContact O-CB 3.3Å; L207-T210 PolarHBondContact O-N 2.99Å; T210-R212 PolarHBondContact O-N 2.97Å; T210-F213 WeakPolarHBondContact O-CB 3.39Å; T210-F213 PolarHBondContact O-N 3.17Å; T210-Y214 HydrophobicContact CG2-CD2 3.88Å; T210-Y214 HydrophobicContact CG2-CE2 3.78Å; T210-Y214 WeakPolarHBondContact O-CD2 3.36Å; T210-Y214 PolarHBondContact O-N 3.34Å; T210-Y214 VanDerWaalsContact O-N 3.11Å; T210-L261 HydrophobicContact CG2-CD1 3.78Å; T210-C265 VanDerWaalsContact CG2-SG 3.56Å |
| 211 | E | 95.4 | Very high | 94.9 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 38% | 0.383 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59 | -49.3 | 178.1 | -164.8 | -164.9 | 152.4 | 0 | 0 | 110.5 | L207 F213 Y214 R215 | L207-E211 PolarHBondContact O-N 2.85Å; E211-F213 VanDerWaalsContact C-N 3.3Å; E211-F213 PolarHBondContact O-N 3.02Å; E211-Y214 PolarHBondContact O-N 3.47Å; E211-R215 WeakPolarHBondContact O-CB 3.46Å; E211-R215 PolarHBondContact O-N 2.87Å; E211-R215 IonicContact OE1-NH1 3.78Å |
| 212 | R | 95 | Very high | 95 | Very high | 196 Ų | 196 | 54.5 Ų | 54.5 | 74% | 0.74 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.4 | -39.6 | 179.8 | -174.4 | 176.7 | -179.4 | 178.1 | 1 | 112.5 | D208 T210 T216 | D208-R212 VanDerWaalsContact O-CB 3.26Å; D208-R212 WeakPolarHBondContact O-CB 3.44Å; D208-R212 PolarHBondContact O-N 3.04Å; T210-R212 PolarHBondContact O-N 2.97Å; R212-T216 PolarHBondContact O-N 2.83Å; R212-T216 PolarHBondContact O-OG1 2.66Å |
| 213 | F | 95.6 | Very high | 95 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -55.3 | 176.7 | -179.7 | -96.4 | 0 | 0 | 0 | 111.1 | H164 R167 L168 S209 T210 E211 T216 Q217 | H164-F213 AromaticContact CE1-CD2 3.59Å; H164-F213 AromaticContact CE1-CE2 3.93Å; H164-F213 AromaticContact ND1-CD2 3.56Å; R167-F213 HydrophobicContact CB-CE1 3.94Å; R167-F213 HydrophobicContact CB-CE2 3.99Å; R167-F213 HydrophobicContact CB-CZ 3.61Å; R167-F213 HydrophobicContact CG-CE1 4.42Å; L168-F213 HydrophobicContact CD2-CE2 4.05Å; L168-F213 HydrophobicContact CD2-CZ 4.25Å; L168-F213 HydrophobicContact CG-CE2 4.38Å; S209-F213 WeakPolarHBondContact O-CB 3.49Å; S209-F213 PolarHBondContact O-N 3.44Å; T210-F213 WeakPolarHBondContact O-CB 3.39Å; T210-F213 PolarHBondContact O-N 3.17Å; E211-F213 VanDerWaalsContact C-N 3.3Å; E211-F213 PolarHBondContact O-N 3.02Å; F213-T216 PolarHBondContact O-N 2.84Å; F213-Q217 PolarHBondContact O-N 3.21Å |
| 214 | Y | 95.8 | Very high | 95 | Very high | 1 Ų | 1 | 68.6 Ų | 68.6 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.1 | -32.5 | -177.5 | -71.2 | -58 | 0 | 0 | 0 | 113.5 | T210 E211 T216 Q217 A218 K237 E241 L269 | T210-Y214 HydrophobicContact CG2-CD2 3.88Å; T210-Y214 HydrophobicContact CG2-CE2 3.78Å; T210-Y214 WeakPolarHBondContact O-CD2 3.36Å; T210-Y214 PolarHBondContact O-N 3.34Å; T210-Y214 VanDerWaalsContact O-N 3.11Å; E211-Y214 PolarHBondContact O-N 3.47Å; Y214-T216 PolarHBondContact O-N 3.2Å; Y214-Q217 PolarHBondContact O-N 3.03Å; Y214-A218 WeakPolarHBondContact O-CB 3.38Å; Y214-A218 PolarHBondContact O-N 3.04Å; Y214-K237 HydrophobicContact CE1-CB 4.1Å; Y214-K237 HydrophobicContact CE1-CD 4.19Å; Y214-K237 HydrophobicContact CE1-CG 4.18Å; Y214-E241 HydrophobicContact CE2-CG 3.7Å; Y214-E241 WeakPolarHBondContact OH-CG 3.34Å; Y214-E241 PolarHBondContact OH-OE1 2.95Å; Y214-E241 VanDerWaalsContact OH-OE1 3.1Å; Y214-L269 HydrophobicContact CD1-CD1 4.13Å; Y214-L269 HydrophobicContact CD1-CD2 3.6Å; Y214-L269 HydrophobicContact CD1-CG 4.08Å; Y214-L269 HydrophobicContact CD2-CD1 4.25Å; Y214-L269 HydrophobicContact CD2-CG 4.44Å; Y214-L269 HydrophobicContact CE1-CD1 4.14Å; Y214-L269 HydrophobicContact CE1-CD2 4.17Å; Y214-L269 HydrophobicContact CE2-CD1 4.28Å; Y214-L269 HydrophobicContact CG-CD1 4.17Å; Y214-L269 HydrophobicContact CG-CD2 3.96Å; Y214-L269 HydrophobicContact CG-CG 3.99Å |
| 215 | R | 93.4 | Very high | 95 | Very high | 178 Ų | 178 | 65.9 Ų | 65.9 | 67% | 0.672 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.5 | -26.2 | 173.8 | -170.6 | 171.1 | -178.8 | 164.3 | -0.5 | 112.8 | E211 P219 | E211-R215 WeakPolarHBondContact O-CB 3.46Å; E211-R215 PolarHBondContact O-N 2.87Å; E211-R215 IonicContact OE1-NH1 3.78Å; R215-P219 WeakPolarHBondContact O-CD 3.47Å; R215-P219 WeakPolarHBondContact O-CG 3.33Å |
| 216 | T | 92.5 | Very high | 94.9 | Very high | 104 Ų | 104 | 66.6 Ų | 66.6 | 64% | 0.638 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -89.5 | -46.2 | 175.7 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | R212 F213 Y214 | R212-T216 PolarHBondContact O-N 2.83Å; R212-T216 PolarHBondContact O-OG1 2.66Å; F213-T216 PolarHBondContact O-N 2.84Å; Y214-T216 PolarHBondContact O-N 3.2Å |
| 217 | Q | 93.4 | Very high | 94.8 | Very high | 61 Ų | 61 | 67.6 Ų | 67.6 | 29% | 0.285 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -77.6 | -39.1 | -172.6 | -165.9 | 176.9 | 37 | 0 | 0 | 113.2 | F213 Y214 S220 Y221 Y233 | F213-Q217 PolarHBondContact O-N 3.21Å; Y214-Q217 PolarHBondContact O-N 3.03Å; Q217-S220 PolarHBondContact O-N 3.12Å; Q217-Y221 PolarHBondContact O-N 2.94Å; Q217-Y233 VanDerWaalsContact CD-OH 3.24Å; Q217-Y233 PolarHBondContact OE1-OH 3.42Å |
| 218 | A | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.4 | -46.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y214 S220 Y221 L222 Y230 L269 F273 | Y214-A218 WeakPolarHBondContact O-CB 3.38Å; Y214-A218 PolarHBondContact O-N 3.04Å; A218-S220 VanDerWaalsContact C-N 3.33Å; A218-S220 PolarHBondContact O-N 3.28Å; A218-Y221 PolarHBondContact O-N 3.35Å; A218-L222 WeakPolarHBondContact O-CB 3.45Å; A218-L222 PolarHBondContact O-N 3.34Å; A218-Y230 HydrophobicContact CB-CE2 3.94Å; A218-L269 HydrophobicContact CB-CD2 4.08Å; A218-F273 HydrophobicContact CB-CE2 3.6Å; A218-F273 HydrophobicContact CB-CZ 3.76Å |
| 219 | P | 94.8 | Very high | 94.6 | Very high | 58 Ų | 58 | 68.5 Ų | 68.5 | 38% | 0.377 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 176.8 | -19.2 | 29 | 0 | 0 | 0 | 112.7 | R215 L222 Q223 F273 | R215-P219 WeakPolarHBondContact O-CD 3.47Å; R215-P219 WeakPolarHBondContact O-CG 3.33Å; P219-L222 PolarHBondContact O-N 3.44Å; P219-Q223 WeakPolarHBondContact O-CB 3.47Å; P219-Q223 PolarHBondContact O-N 2.72Å; P219-F273 HydrophobicContact CB-CE1 4.37Å; P219-F273 HydrophobicContact CB-CZ 4.32Å; P219-F273 HydrophobicContact CG-CE1 4.29Å; P219-F273 HydrophobicContact CG-CZ 3.81Å |
| 220 | S | 94.3 | Very high | 94.7 | Very high | 53 Ų | 53 | 67.1 Ų | 67.1 | 37% | 0.371 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 178.7 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | Q217 A218 Q224 | Q217-S220 PolarHBondContact O-N 3.12Å; A218-S220 VanDerWaalsContact C-N 3.33Å; A218-S220 PolarHBondContact O-N 3.28Å; S220-Q224 VanDerWaalsContact O-CG 3.31Å; S220-Q224 WeakPolarHBondContact O-CG 3.41Å; S220-Q224 PolarHBondContact O-N 2.98Å; S220-Q224 PolarHBondContact OG-NE2 2.97Å |
| 221 | Y | 95.3 | Very high | 94.7 | Very high | 69 Ų | 69 | 67.2 Ų | 67.2 | 27% | 0.271 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 178.1 | -168.6 | -82.9 | 0 | 0 | 0 | 111.4 | Q217 A218 Q224 N225 Y230 Y233 | Q217-Y221 PolarHBondContact O-N 2.94Å; A218-Y221 PolarHBondContact O-N 3.35Å; Y221-Q224 PolarHBondContact O-N 2.83Å; Y221-N225 HydrophobicContact CD1-CB 4.28Å; Y221-N225 HydrophobicContact CE1-CB 3.92Å; Y221-N225 WeakPolarHBondContact O-CB 3.43Å; Y221-N225 PolarHBondContact O-N 2.93Å; Y221-N225 PolarHBondContact O-ND2 2.9Å; Y221-Y230 HydrophobicContact CD1-CD2 4.1Å; Y221-Y233 AromaticContact CD1-CD1 3.95Å; Y221-Y233 HydrophobicContact CD1-CD1 3.95Å; Y221-Y233 HydrophobicContact CD1-CD2 4.17Å; Y221-Y233 AromaticContact CD1-CG 3.72Å; Y221-Y233 HydrophobicContact CD1-CG 3.72Å; Y221-Y233 AromaticContact CD2-CD2 3.83Å; Y221-Y233 HydrophobicContact CD2-CD2 3.83Å; Y221-Y233 AromaticContact CD2-CE2 3.95Å; Y221-Y233 HydrophobicContact CD2-CE2 3.95Å; Y221-Y233 HydrophobicContact CD2-CG 4.23Å; Y221-Y233 HydrophobicContact CE1-CD1 4.32Å; Y221-Y233 HydrophobicContact CE1-CD2 4.03Å; Y221-Y233 AromaticContact CE1-CG 3.65Å; Y221-Y233 HydrophobicContact CE1-CG 3.65Å; Y221-Y233 AromaticContact CE2-CD2 3.67Å; Y221-Y233 HydrophobicContact CE2-CD2 3.67Å; Y221-Y233 HydrophobicContact CE2-CE2 4.17Å; Y221-Y233 HydrophobicContact CE2-CG 4.17Å; Y221-Y233 HydrophobicContact CG-CD1 4.15Å; Y221-Y233 HydrophobicContact CG-CD2 4.07Å; Y221-Y233 HydrophobicContact CG-CE1 4.36Å; Y221-Y233 HydrophobicContact CG-CE2 4.27Å; Y221-Y233 HydrophobicContact CG-CG 4.01Å; Y221-Y233 AromaticContact CZ-CD2 3.77Å; Y221-Y233 AromaticContact CZ-CG 3.88Å |
| 222 | L | 95.2 | Very high | 94.7 | Very high | 25 Ų | 25 | 69.5 Ų | 69.5 | 13% | 0.131 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 177.3 | 177.6 | 63 | 0 | 0 | 0 | 111.6 | A218 P219 Q224 G226 V227 Y230 F273 T276 | A218-L222 WeakPolarHBondContact O-CB 3.45Å; A218-L222 PolarHBondContact O-N 3.34Å; P219-L222 PolarHBondContact O-N 3.44Å; L222-Q224 VanDerWaalsContact C-N 3.33Å; L222-Q224 PolarHBondContact O-N 3.21Å; L222-G226 WeakPolarHBondContact O-CA 3.47Å; L222-G226 PolarHBondContact O-N 3.43Å; L222-V227 HydrophobicContact CD1-CB 4.47Å; L222-V227 HydrophobicContact CD1-CG2 4.14Å; L222-Y230 HydrophobicContact CB-CD2 3.7Å; L222-Y230 HydrophobicContact CB-CE2 4.19Å; L222-Y230 HydrophobicContact CB-CG 4.11Å; L222-Y230 HydrophobicContact CD1-CD1 4.15Å; L222-Y230 HydrophobicContact CD1-CD2 4.2Å; L222-Y230 HydrophobicContact CD1-CG 3.7Å; L222-Y230 HydrophobicContact CG-CD2 4.48Å; L222-Y230 HydrophobicContact CG-CG 4.43Å; L222-F273 HydrophobicContact CD2-CD1 3.4Å; L222-F273 HydrophobicContact CD2-CE1 3.78Å; L222-F273 HydrophobicContact CD2-CG 4.31Å; L222-T276 HydrophobicContact CD2-CG2 4.24Å |
| 223 | Q | 94.1 | Very high | 94.8 | Very high | 170 Ų | 170 | 61 Ų | 61 | 79% | 0.794 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.7 | -38 | -179.4 | -172.2 | -179.5 | 23 | 0 | 0 | 112.7 | P219 | P219-Q223 WeakPolarHBondContact O-CB 3.47Å; P219-Q223 PolarHBondContact O-N 2.72Å |
| 224 | Q | 94.8 | Very high | 94.8 | Very high | 142 Ų | 142 | 60.2 Ų | 60.2 | 66% | 0.664 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -81 | -34.1 | -176.4 | -69.3 | 171.7 | 12.5 | 0 | 0 | 113.3 | S220 Y221 L222 | S220-Q224 VanDerWaalsContact O-CG 3.31Å; S220-Q224 WeakPolarHBondContact O-CG 3.41Å; S220-Q224 PolarHBondContact O-N 2.98Å; S220-Q224 PolarHBondContact OG-NE2 2.97Å; Y221-Q224 PolarHBondContact O-N 2.83Å; L222-Q224 VanDerWaalsContact C-N 3.33Å; L222-Q224 PolarHBondContact O-N 3.21Å |
| 225 | N | 95.1 | Very high | 94.8 | Very high | 64 Ų | 64 | 61.5 Ų | 61.5 | 34% | 0.342 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -114.2 | -10.6 | -168 | -58.7 | -79.4 | 0 | 0 | 0 | 114.3 | Y221 N229 | Y221-N225 HydrophobicContact CD1-CB 4.28Å; Y221-N225 HydrophobicContact CE1-CB 3.92Å; Y221-N225 WeakPolarHBondContact O-CB 3.43Å; Y221-N225 PolarHBondContact O-N 2.93Å; Y221-N225 PolarHBondContact O-ND2 2.9Å; N225-N229 HydrophobicContact CB-CB 3.83Å; N225-N229 PolarHBondContact O-ND2 3.01Å |
| 226 | G | 94.3 | Very high | 94.9 | Very high | 33 Ų | 33 | 54.9 Ų | 54.9 | 34% | 0.34 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | 77.3 | 170.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L222 Q228 Y230 | L222-G226 WeakPolarHBondContact O-CA 3.47Å; L222-G226 PolarHBondContact O-N 3.43Å; G226-Q228 PolarHBondContact O-N 3.35Å; G226-Y230 WeakPolarHBondContact O-CB 3.16Å; G226-Y230 PolarHBondContact O-N 3.18Å |
| 227 | V | 94.6 | Very high | 95.1 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -42.7 | -169.8 | -175.7 | 0 | 0 | 0 | 0 | 113.1 | L222 N229 Y230 M231 T276 I277 E280 | L222-V227 HydrophobicContact CD1-CB 4.47Å; L222-V227 HydrophobicContact CD1-CG2 4.14Å; V227-N229 PolarHBondContact O-N 3.43Å; V227-Y230 WeakPolarHBondContact O-CB 3.47Å; V227-Y230 PolarHBondContact O-N 3.4Å; V227-M231 PolarHBondContact O-N 3.11Å; V227-T276 HydrophobicContact CG2-CG2 3.9Å; V227-I277 HydrophobicContact CG1-CG1 4.3Å; V227-E280 HydrophobicContact CB-CG 3.93Å; V227-E280 HydrophobicContact CG1-CG 3.87Å; V227-E280 HydrophobicContact CG2-CG 4.1Å |
| 228 | Q | 92 | Very high | 95.2 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 28% | 0.276 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67 | -41.7 | -174.4 | -54.6 | -170.4 | 5.4 | 0 | 0 | 112.3 | G226 Y230 M231 K232 M284 K292 | G226-Q228 PolarHBondContact O-N 3.35Å; Q228-Y230 VanDerWaalsContact C-N 3.34Å; Q228-M231 PolarHBondContact O-N 3.33Å; Q228-K232 PolarHBondContact O-N 3.29Å; Q228-M284 HydrophobicContact CG-CE 3.73Å; Q228-K292 VanDerWaalsContact OE1-CD 3.31Å; Q228-K292 VanDerWaalsContact OE1-CE 3.22Å |
| 229 | N | 94.6 | Very high | 95.2 | Very high | 76 Ų | 76 | 53.9 Ų | 53.9 | 41% | 0.406 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.2 | -34.8 | 174.5 | -69.1 | -39.5 | 0 | 0 | 0 | 111 | N225 V227 M231 K232 Y233 | N225-N229 HydrophobicContact CB-CB 3.83Å; N225-N229 PolarHBondContact O-ND2 3.01Å; V227-N229 PolarHBondContact O-N 3.43Å; N229-M231 VanDerWaalsContact C-N 3.35Å; N229-M231 PolarHBondContact O-N 2.96Å; N229-K232 PolarHBondContact O-N 3.04Å; N229-Y233 WeakPolarHBondContact O-CB 3.13Å; N229-Y233 PolarHBondContact O-N 2.88Å |
| 230 | Y | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 173.4 | -179.3 | -96.7 | 0 | 0 | 0 | 112.6 | A218 Y221 L222 G226 V227 Q228 K232 Y233 A234 L269 F273 I277 | A218-Y230 HydrophobicContact CB-CE2 3.94Å; Y221-Y230 HydrophobicContact CD1-CD2 4.1Å; L222-Y230 HydrophobicContact CB-CD2 3.7Å; L222-Y230 HydrophobicContact CB-CE2 4.19Å; L222-Y230 HydrophobicContact CB-CG 4.11Å; L222-Y230 HydrophobicContact CD1-CD1 4.15Å; L222-Y230 HydrophobicContact CD1-CD2 4.2Å; L222-Y230 HydrophobicContact CD1-CG 3.7Å; L222-Y230 HydrophobicContact CG-CD2 4.48Å; L222-Y230 HydrophobicContact CG-CG 4.43Å; G226-Y230 WeakPolarHBondContact O-CB 3.16Å; G226-Y230 PolarHBondContact O-N 3.18Å; V227-Y230 WeakPolarHBondContact O-CB 3.47Å; V227-Y230 PolarHBondContact O-N 3.4Å; Q228-Y230 VanDerWaalsContact C-N 3.34Å; Y230-K232 VanDerWaalsContact C-N 3.32Å; Y230-K232 PolarHBondContact O-N 3.18Å; Y230-Y233 HydrophobicContact CD2-CD1 4.19Å; Y230-Y233 HydrophobicContact CE2-CD1 4.14Å; Y230-Y233 HydrophobicContact CE2-CE1 4.43Å; Y230-Y233 CarbonylContact O-C 3.49Å; Y230-Y233 WeakPolarHBondContact O-CB 3.33Å; Y230-Y233 PolarHBondContact O-N 2.83Å; Y230-A234 HydrophobicContact CE1-CB 4.34Å; Y230-A234 WeakPolarHBondContact O-CB 3.44Å; Y230-A234 PolarHBondContact O-N 3.32Å; Y230-L269 WeakPolarHBondContact CE1-O 3.14Å; Y230-L269 PolarHBondContact OH-O 3.36Å; Y230-F273 HydrophobicContact CE1-CB 4.01Å; Y230-F273 HydrophobicContact CE1-CD2 4.05Å; Y230-F273 HydrophobicContact CE1-CG 4.05Å; Y230-F273 AromaticContact CZ-CD2 3.64Å; Y230-F273 AromaticContact CZ-CE2 3.97Å; Y230-F273 AromaticContact CZ-CG 3.98Å; Y230-F273 WeakPolarHBondContact OH-CD2 3.33Å; Y230-F273 WeakPolarHBondContact OH-CE2 3.37Å; Y230-I277 HydrophobicContact CD1-CD1 4.37Å; Y230-I277 HydrophobicContact CD1-CG1 4.49Å; Y230-I277 HydrophobicContact CE1-CD1 4.18Å |
| 231 | M | 96.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 175.8 | -69.9 | -167.3 | -66.4 | 0 | 0 | 112.2 | V227 Q228 N229 Y233 A234 D235 I277 M284 L295 M296 L299 | V227-M231 PolarHBondContact O-N 3.11Å; Q228-M231 PolarHBondContact O-N 3.33Å; N229-M231 VanDerWaalsContact C-N 3.35Å; N229-M231 PolarHBondContact O-N 2.96Å; M231-Y233 VanDerWaalsContact C-N 3.33Å; M231-Y233 PolarHBondContact O-N 3.47Å; M231-A234 PolarHBondContact O-N 3.34Å; M231-D235 PolarHBondContact O-N 2.9Å; M231-I277 HydrophobicContact CG-CG1 4.4Å; M231-I277 HydrophobicContact CG-CG2 4.1Å; M231-I277 HydrophobicContact SD-CG2 3.68Å; M231-M284 HydrophobicContact CE-CE 3.51Å; M231-M284 HydrophobicContact CE-SD 4.17Å; M231-L295 HydrophobicContact CB-CD2 3.77Å; M231-L295 HydrophobicContact CB-CG 4.08Å; M231-M296 HydrophobicContact CE-CB 4.47Å; M231-M296 HydrophobicContact CE-CE 4.2Å; M231-M296 HydrophobicContact SD-CB 3.73Å; M231-M296 HydrophobicContact SD-CE 3.93Å; M231-M296 HydrophobicContact SD-CG 4.09Å; M231-L299 HydrophobicContact CB-CD1 3.7Å; M231-L299 HydrophobicContact CG-CD1 3.88Å; M231-L299 HydrophobicContact SD-CD1 4.49Å |
| 232 | K | 96.4 | Very high | 95.4 | Very high | 130 Ų | 130 | 53.2 Ų | 53.2 | 57% | 0.565 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.7 | -41.8 | 176.3 | -68.7 | -179.5 | 178 | -179 | 0 | 111.3 | Q228 N229 Y230 A236 L295 | Q228-K232 PolarHBondContact O-N 3.29Å; N229-K232 PolarHBondContact O-N 3.04Å; Y230-K232 VanDerWaalsContact C-N 3.32Å; Y230-K232 PolarHBondContact O-N 3.18Å; K232-A236 WeakPolarHBondContact O-CB 3.31Å; K232-A236 PolarHBondContact O-N 2.84Å; K232-L295 HydrophobicContact CB-CD2 4.3Å; K232-L295 HydrophobicContact CG-CD2 3.5Å; K232-L295 VanDerWaalsContact CG-CD2 3.5Å |
| 233 | Y | 95.8 | Very high | 95.4 | Very high | 18 Ų | 18 | 59.5 Ų | 59.5 | 7% | 0.071 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 175.2 | 168.2 | -93.3 | 0 | 0 | 0 | 111.7 | Q217 Y221 N229 Y230 M231 A236 K237 L269 | Q217-Y233 VanDerWaalsContact CD-OH 3.24Å; Q217-Y233 PolarHBondContact OE1-OH 3.42Å; Y221-Y233 AromaticContact CD1-CD1 3.95Å; Y221-Y233 HydrophobicContact CD1-CD1 3.95Å; Y221-Y233 HydrophobicContact CD1-CD2 4.17Å; Y221-Y233 AromaticContact CD1-CG 3.72Å; Y221-Y233 HydrophobicContact CD1-CG 3.72Å; Y221-Y233 AromaticContact CD2-CD2 3.83Å; Y221-Y233 HydrophobicContact CD2-CD2 3.83Å; Y221-Y233 AromaticContact CD2-CE2 3.95Å; Y221-Y233 HydrophobicContact CD2-CE2 3.95Å; Y221-Y233 HydrophobicContact CD2-CG 4.23Å; Y221-Y233 HydrophobicContact CE1-CD1 4.32Å; Y221-Y233 HydrophobicContact CE1-CD2 4.03Å; Y221-Y233 AromaticContact CE1-CG 3.65Å; Y221-Y233 HydrophobicContact CE1-CG 3.65Å; Y221-Y233 AromaticContact CE2-CD2 3.67Å; Y221-Y233 HydrophobicContact CE2-CD2 3.67Å; Y221-Y233 HydrophobicContact CE2-CE2 4.17Å; Y221-Y233 HydrophobicContact CE2-CG 4.17Å; Y221-Y233 HydrophobicContact CG-CD1 4.15Å; Y221-Y233 HydrophobicContact CG-CD2 4.07Å; Y221-Y233 HydrophobicContact CG-CE1 4.36Å; Y221-Y233 HydrophobicContact CG-CE2 4.27Å; Y221-Y233 HydrophobicContact CG-CG 4.01Å; Y221-Y233 AromaticContact CZ-CD2 3.77Å; Y221-Y233 AromaticContact CZ-CG 3.88Å; N229-Y233 WeakPolarHBondContact O-CB 3.13Å; N229-Y233 PolarHBondContact O-N 2.88Å; Y230-Y233 HydrophobicContact CD2-CD1 4.19Å; Y230-Y233 HydrophobicContact CE2-CD1 4.14Å; Y230-Y233 HydrophobicContact CE2-CE1 4.43Å; Y230-Y233 CarbonylContact O-C 3.49Å; Y230-Y233 WeakPolarHBondContact O-CB 3.33Å; Y230-Y233 PolarHBondContact O-N 2.83Å; M231-Y233 VanDerWaalsContact C-N 3.33Å; M231-Y233 PolarHBondContact O-N 3.47Å; Y233-A236 PolarHBondContact O-N 2.79Å; Y233-K237 HydrophobicContact CD1-CG 4.41Å; Y233-K237 HydrophobicContact CD2-CG 4.03Å; Y233-K237 HydrophobicContact CE1-CG 4.07Å; Y233-K237 HydrophobicContact CE2-CD 4.1Å; Y233-K237 HydrophobicContact CE2-CG 3.68Å; Y233-K237 HydrophobicContact CG-CG 4.38Å; Y233-K237 WeakPolarHBondContact O-CB 3.27Å; Y233-K237 VanDerWaalsContact O-CG 3.25Å; Y233-K237 WeakPolarHBondContact O-CG 3.4Å; Y233-K237 PolarHBondContact O-N 3.04Å; Y233-L269 HydrophobicContact CE1-CD2 4.04Å |
| 234 | A | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y230 M231 A236 K237 L238 L269 L299 | Y230-A234 HydrophobicContact CE1-CB 4.34Å; Y230-A234 WeakPolarHBondContact O-CB 3.44Å; Y230-A234 PolarHBondContact O-N 3.32Å; M231-A234 PolarHBondContact O-N 3.34Å; A234-A236 PolarHBondContact O-N 2.78Å; A234-K237 PolarHBondContact O-N 2.88Å; A234-L238 WeakPolarHBondContact O-CB 3.31Å; A234-L238 VanDerWaalsContact O-CG 3.27Å; A234-L238 WeakPolarHBondContact O-CG 3.27Å; A234-L238 PolarHBondContact O-N 2.9Å; A234-L269 HydrophobicContact CB-CB 4.42Å; A234-L299 HydrophobicContact CB-CD1 4.39Å; A234-L299 HydrophobicContact CB-CD2 4.3Å |
| 235 | D | 95.8 | Very high | 95.5 | Very high | 29 Ų | 29 | 45.9 Ų | 45.9 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 176.9 | 176.4 | 70.3 | 0 | 0 | 0 | 112.2 | M231 K239 L295 L299 | M231-D235 PolarHBondContact O-N 2.9Å; D235-K239 WeakPolarHBondContact O-CG 3.38Å; D235-K239 PolarHBondContact O-N 3.04Å; D235-K239 VanDerWaalsContact O-N 3.16Å; D235-K239 WeakPolarHBondContact OD1-CE 3.48Å; D235-K239 IonicContact OD1-NZ 2.67Å; D235-K239 PolarHBondContact OD1-NZ 3.1Å; D235-K239 WeakPolarHBondContact OD2-CE 3.38Å; D235-K239 IonicContact OD2-NZ 2.84Å; D235-K239 PolarHBondContact OD2-NZ 3.17Å; D235-L295 HydrophobicContact CB-CD1 3.65Å; D235-L299 HydrophobicContact CB-CD2 4.11Å |
| 236 | A | 96 | Very high | 95.5 | Very high | 39 Ų | 39 | 47.8 Ų | 47.8 | 32% | 0.322 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K232 Y233 A234 K239 E240 | K232-A236 WeakPolarHBondContact O-CB 3.31Å; K232-A236 PolarHBondContact O-N 2.84Å; Y233-A236 PolarHBondContact O-N 2.79Å; A234-A236 PolarHBondContact O-N 2.78Å; A236-K239 PolarHBondContact O-N 3.3Å; A236-E240 WeakPolarHBondContact O-CG 3.45Å; A236-E240 PolarHBondContact O-N 3.36Å |
| 237 | K | 95.2 | Very high | 95.5 | Very high | 32 Ų | 32 | 51.3 Ų | 51.3 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.4 | -36.1 | -179.1 | -69.3 | -67 | 160.6 | -160.8 | 0 | 112.8 | Y214 Y233 A234 E240 E241 L269 | Y214-K237 HydrophobicContact CE1-CB 4.1Å; Y214-K237 HydrophobicContact CE1-CD 4.19Å; Y214-K237 HydrophobicContact CE1-CG 4.18Å; Y233-K237 HydrophobicContact CD1-CG 4.41Å; Y233-K237 HydrophobicContact CD2-CG 4.03Å; Y233-K237 HydrophobicContact CE1-CG 4.07Å; Y233-K237 HydrophobicContact CE2-CD 4.1Å; Y233-K237 HydrophobicContact CE2-CG 3.68Å; Y233-K237 HydrophobicContact CG-CG 4.38Å; Y233-K237 WeakPolarHBondContact O-CB 3.27Å; Y233-K237 VanDerWaalsContact O-CG 3.25Å; Y233-K237 WeakPolarHBondContact O-CG 3.4Å; Y233-K237 PolarHBondContact O-N 3.04Å; A234-K237 PolarHBondContact O-N 2.88Å; K237-E240 WeakPolarHBondContact CD-OE2 3.46Å; K237-E240 IonicContact NZ-OE1 3.21Å; K237-E240 PolarHBondContact NZ-OE1 3.19Å; K237-E240 IonicContact NZ-OE2 3.93Å; K237-E240 PolarHBondContact NZ-OE2 2.87Å; K237-E240 PolarHBondContact O-N 2.75Å; K237-E241 WeakPolarHBondContact O-CG 3.45Å; K237-E241 PolarHBondContact O-N 3.2Å; K237-L269 HydrophobicContact CB-CD1 3.97Å |
| 238 | L | 96 | Very high | 95.5 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 171.4 | -73 | 170.3 | 0 | 0 | 0 | 111.4 | A234 E240 E241 E242 M262 C265 V266 L269 V270 L299 K302 | A234-L238 WeakPolarHBondContact O-CB 3.31Å; A234-L238 VanDerWaalsContact O-CG 3.27Å; A234-L238 WeakPolarHBondContact O-CG 3.27Å; A234-L238 PolarHBondContact O-N 2.9Å; L238-E240 VanDerWaalsContact C-N 3.34Å; L238-E240 PolarHBondContact O-N 3.3Å; L238-E241 PolarHBondContact O-N 3.37Å; L238-E242 WeakPolarHBondContact O-CB 3.45Å; L238-E242 PolarHBondContact O-N 3.49Å; L238-M262 HydrophobicContact CB-CE 4.21Å; L238-M262 HydrophobicContact CD2-CE 4.04Å; L238-C265 HydrophobicContact CD2-CB 3.69Å; L238-V266 HydrophobicContact CD1-CG2 4.47Å; L238-V266 HydrophobicContact CD2-CG2 3.89Å; L238-L269 HydrophobicContact CD2-CD1 4.24Å; L238-L269 HydrophobicContact CG-CD1 4.31Å; L238-V270 HydrophobicContact CD1-CG2 4.03Å; L238-L299 HydrophobicContact CD1-CD2 3.91Å; L238-K302 HydrophobicContact CD1-CD 4.16Å |
| 239 | K | 95.6 | Very high | 95.6 | Very high | 107 Ų | 107 | 47.5 Ų | 47.5 | 47% | 0.465 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.7 | -36.6 | 176.9 | -71.1 | 167.8 | 180 | 164.2 | 0 | 112.9 | D235 A236 K243 | D235-K239 WeakPolarHBondContact O-CG 3.38Å; D235-K239 PolarHBondContact O-N 3.04Å; D235-K239 VanDerWaalsContact O-N 3.16Å; D235-K239 WeakPolarHBondContact OD1-CE 3.48Å; D235-K239 IonicContact OD1-NZ 2.67Å; D235-K239 PolarHBondContact OD1-NZ 3.1Å; D235-K239 WeakPolarHBondContact OD2-CE 3.38Å; D235-K239 IonicContact OD2-NZ 2.84Å; D235-K239 PolarHBondContact OD2-NZ 3.17Å; A236-K239 PolarHBondContact O-N 3.3Å; K239-K243 WeakPolarHBondContact O-CG 3.29Å; K239-K243 PolarHBondContact O-N 3.25Å |
| 240 | E | 95.4 | Very high | 95.5 | Very high | 73 Ų | 73 | 44 Ų | 44 | 34% | 0.341 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66 | -47.2 | 174.9 | -74.3 | 174.9 | -153.9 | 0 | 0 | 111.7 | A236 K237 L238 K243 R244 | A236-E240 WeakPolarHBondContact O-CG 3.45Å; A236-E240 PolarHBondContact O-N 3.36Å; K237-E240 WeakPolarHBondContact CD-OE2 3.46Å; K237-E240 IonicContact NZ-OE1 3.21Å; K237-E240 PolarHBondContact NZ-OE1 3.19Å; K237-E240 IonicContact NZ-OE2 3.93Å; K237-E240 PolarHBondContact NZ-OE2 2.87Å; K237-E240 PolarHBondContact O-N 2.75Å; L238-E240 VanDerWaalsContact C-N 3.34Å; L238-E240 PolarHBondContact O-N 3.3Å; E240-K243 PolarHBondContact O-N 3.39Å; E240-R244 WeakPolarHBondContact O-CB 3.43Å; E240-R244 PolarHBondContact O-N 3.35Å |
| 241 | E | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -37.2 | 178.8 | -73 | -64.9 | 134 | 0 | 0 | 112.2 | R167 Y214 K237 L238 K243 R244 A245 | R167-E241 IonicContact CZ-OE1 3.06Å; R167-E241 IonicContact CZ-OE2 2.98Å; R167-E241 IonicContact NE-OE1 2.79Å; R167-E241 PolarHBondContact NE-OE1 2.87Å; R167-E241 IonicContact NE-OE2 2.81Å; R167-E241 IonicContact NH2-OE1 3.59Å; R167-E241 IonicContact NH2-OE2 3.44Å; R167-E241 PolarHBondContact NH2-OE2 2.88Å; Y214-E241 HydrophobicContact CE2-CG 3.7Å; Y214-E241 WeakPolarHBondContact OH-CG 3.34Å; Y214-E241 PolarHBondContact OH-OE1 2.95Å; Y214-E241 VanDerWaalsContact OH-OE1 3.1Å; K237-E241 WeakPolarHBondContact O-CG 3.45Å; K237-E241 PolarHBondContact O-N 3.2Å; L238-E241 PolarHBondContact O-N 3.37Å; E241-K243 PolarHBondContact O-N 2.84Å; E241-R244 CarbonylContact O-C 3.52Å; E241-R244 WeakPolarHBondContact O-CB 3.23Å; E241-R244 PolarHBondContact O-N 3.15Å; E241-R244 VanDerWaalsContact O-N 3.15Å; E241-R244 IonicContact OE1-CZ 2.95Å; E241-R244 IonicContact OE1-NH1 3.65Å; E241-R244 PolarHBondContact OE1-NH1 2.77Å; E241-A245 WeakPolarHBondContact O-CB 3.47Å; E241-A245 PolarHBondContact O-N 2.8Å |
| 242 | E | 95.9 | Very high | 94.8 | Very high | 93 Ų | 93 | 53 Ų | 53 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.7 | -48.6 | 174.7 | -174.3 | 176.7 | -154.5 | 0 | 0 | 111.5 | L238 R244 A245 L246 M262 | L238-E242 WeakPolarHBondContact O-CB 3.45Å; L238-E242 PolarHBondContact O-N 3.49Å; E242-R244 VanDerWaalsContact C-N 3.27Å; E242-R244 PolarHBondContact O-N 2.73Å; E242-A245 WeakPolarHBondContact O-CB 3.37Å; E242-A245 PolarHBondContact O-N 2.89Å; E242-L246 WeakPolarHBondContact O-CG 3.32Å; E242-L246 PolarHBondContact O-N 3.32Å; E242-M262 HydrophobicContact CB-CE 4.05Å; E242-M262 HydrophobicContact CB-SD 3.68Å; E242-M262 HydrophobicContact CG-SD 4.26Å |
| 243 | K | 95.6 | Very high | 93.8 | Very high | 157 Ų | 157 | 58.1 Ų | 58.1 | 68% | 0.683 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.2 | -38.2 | 175.6 | -71.7 | 177.2 | -177.2 | -179.6 | 0 | 112 | K239 E240 E241 R247 | K239-K243 WeakPolarHBondContact O-CG 3.29Å; K239-K243 PolarHBondContact O-N 3.25Å; E240-K243 PolarHBondContact O-N 3.39Å; E241-K243 PolarHBondContact O-N 2.84Å; K243-R247 PolarHBondContact O-N 3.11Å |
| 244 | R | 95.4 | Very high | 92.9 | Very high | 26 Ų | 26 | 66.9 Ų | 66.9 | 10% | 0.098 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.5 | -40.8 | 178.8 | -170 | -178.7 | -77.6 | 98.1 | 8.3 | 111.7 | E166 Y206 E240 E241 E242 R247 Y248 | E166-R244 WeakPolarHBondContact OE2-CD 3.46Å; E166-R244 IonicContact OE2-CZ 2.8Å; E166-R244 IonicContact OE2-NE 3.81Å; E166-R244 PolarHBondContact OE2-NE 3Å; E166-R244 IonicContact OE2-NH2 3.08Å; Y206-R244 WeakPolarHBondContact OH-CD 3.5Å; Y206-R244 WeakPolarHBondContact OH-CG 3.34Å; E240-R244 WeakPolarHBondContact O-CB 3.43Å; E240-R244 PolarHBondContact O-N 3.35Å; E241-R244 CarbonylContact O-C 3.52Å; E241-R244 WeakPolarHBondContact O-CB 3.23Å; E241-R244 PolarHBondContact O-N 3.15Å; E241-R244 VanDerWaalsContact O-N 3.15Å; E241-R244 IonicContact OE1-CZ 2.95Å; E241-R244 IonicContact OE1-NH1 3.65Å; E241-R244 PolarHBondContact OE1-NH1 2.77Å; E242-R244 VanDerWaalsContact C-N 3.27Å; E242-R244 PolarHBondContact O-N 2.73Å; R244-R247 WeakPolarHBondContact O-CB 3.4Å; R244-R247 PolarHBondContact O-N 3.46Å; R244-R247 VanDerWaalsContact O-N 3.17Å; R244-Y248 HydrophobicContact CG-CD2 3.56Å; R244-Y248 HydrophobicContact CG-CE2 3.61Å; R244-Y248 PolarHBondContact O-N 3.32Å |
| 245 | A | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.8 | -50.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E241 E242 R247 Y248 L249 V258 L261 | E241-A245 WeakPolarHBondContact O-CB 3.47Å; E241-A245 PolarHBondContact O-N 2.8Å; E242-A245 WeakPolarHBondContact O-CB 3.37Å; E242-A245 PolarHBondContact O-N 2.89Å; A245-R247 PolarHBondContact O-N 2.82Å; A245-R247 VanDerWaalsContact O-N 3.1Å; A245-Y248 PolarHBondContact O-N 2.66Å; A245-L249 HydrophobicContact CB-CD1 3.93Å; A245-L249 HydrophobicContact CB-CG 4.41Å; A245-L249 WeakPolarHBondContact O-CB 3.42Å; A245-L249 PolarHBondContact O-N 2.82Å; A245-V258 HydrophobicContact CB-CB 4.37Å; A245-V258 HydrophobicContact CB-CG1 4.02Å; A245-V258 HydrophobicContact CB-CG2 4.11Å; A245-L261 HydrophobicContact CB-CD2 3.4Å |
| 246 | L | 95 | Very high | 92.2 | Very high | 103 Ų | 103 | 70.8 Ų | 70.8 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.1 | -26.3 | 178.4 | -72.1 | 170.1 | 0 | 0 | 0 | 113 | E242 T251 V258 | E242-L246 WeakPolarHBondContact O-CG 3.32Å; E242-L246 PolarHBondContact O-N 3.32Å; L246-T251 HydrophobicContact CD2-CG2 4.33Å; L246-V258 HydrophobicContact CD2-CG2 4.29Å |
| 247 | R | 94.4 | Very high | 92.1 | Very high | 108 Ų | 108 | 69 Ų | 69 | 41% | 0.408 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -83.4 | -41.3 | 178.1 | -169.9 | -179.1 | -175.9 | -174.7 | 6.1 | 113 | E166 S174 K243 R244 A245 | E166-R247 IonicContact OE1-NH1 3.99Å; E166-R247 PolarHBondContact OE1-NH1 2.93Å; S174-R247 VanDerWaalsContact CB-NE 3.32Å; S174-R247 PolarHBondContact OG-NH2 2.82Å; K243-R247 PolarHBondContact O-N 3.11Å; R244-R247 WeakPolarHBondContact O-CB 3.4Å; R244-R247 PolarHBondContact O-N 3.46Å; R244-R247 VanDerWaalsContact O-N 3.17Å; A245-R247 PolarHBondContact O-N 2.82Å; A245-R247 VanDerWaalsContact O-N 3.1Å |
| 248 | Y | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -109.7 | -31.3 | -166.7 | -61.4 | -41.1 | 0 | 0 | 0 | 115.1 | V163 E166 F172 V177 I178 R181 Y206 R244 A245 | V163-Y248 HydrophobicContact CG2-CD2 4.5Å; E166-Y248 PolarHBondContact OE1-OH 3.1Å; E166-Y248 WeakPolarHBondContact OE2-CE2 3.14Å; F172-Y248 HydrophobicContact CZ-CE1 4.35Å; F172-Y248 HydrophobicContact CZ-CE2 4.19Å; F172-Y248 AromaticContact CZ-CZ 3.71Å; F172-Y248 WeakPolarHBondContact CZ-OH 3.4Å; V177-Y248 HydrophobicContact CB-CD1 3.98Å; V177-Y248 HydrophobicContact CB-CE1 4.21Å; V177-Y248 HydrophobicContact CB-CG 4.44Å; V177-Y248 HydrophobicContact CG1-CD1 3.78Å; V177-Y248 HydrophobicContact CG1-CD2 4.4Å; V177-Y248 HydrophobicContact CG1-CE1 4.43Å; V177-Y248 HydrophobicContact CG1-CG 3.78Å; I178-Y248 HydrophobicContact CG1-CD1 4.08Å; R181-Y248 WeakPolarHBondContact CG-O 3.39Å; R181-Y248 PolarHBondContact NE-O 2.87Å; Y206-Y248 HydrophobicContact CE2-CD2 4.48Å; R244-Y248 HydrophobicContact CG-CD2 3.56Å; R244-Y248 HydrophobicContact CG-CE2 3.61Å; R244-Y248 PolarHBondContact O-N 3.32Å; A245-Y248 PolarHBondContact O-N 2.66Å |
| 249 | L | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -82.4 | 167 | 178.5 | -59.5 | -177.2 | 0 | 0 | 0 | 111.3 | F202 Y206 A245 S257 L261 | F202-L249 HydrophobicContact CE1-CD2 4.22Å; Y206-L249 HydrophobicContact CD1-CD1 4.44Å; Y206-L249 HydrophobicContact CD1-CD2 3.91Å; Y206-L249 HydrophobicContact CD2-CD2 3.94Å; Y206-L249 HydrophobicContact CE1-CD1 4.42Å; Y206-L249 HydrophobicContact CE1-CD2 4.24Å; Y206-L249 HydrophobicContact CE1-CG 4.45Å; Y206-L249 HydrophobicContact CE2-CD2 4.25Å; Y206-L249 HydrophobicContact CG-CD2 3.76Å; A245-L249 HydrophobicContact CB-CD1 3.93Å; A245-L249 HydrophobicContact CB-CG 4.41Å; A245-L249 WeakPolarHBondContact O-CB 3.42Å; A245-L249 PolarHBondContact O-N 2.82Å; L249-S257 WeakPolarHBondContact CD1-O 3.49Å; L249-L261 HydrophobicContact CD1-CB 3.86Å; L249-L261 HydrophobicContact CD1-CD2 4.05Å; L249-L261 HydrophobicContact CD1-CG 4.46Å |
| 250 | E | 92.9 | Very high | 92 | Very high | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.019 | 32% | 0.321 | C | S | . | . | trans | -78.1 | 130.6 | 177.9 | -173.5 | 51.4 | -105.4 | 0 | 0 | 110.5 | R181 V185 L195 Y198 R252 C255 | R181-E250 IonicContact CZ-OE2 3.76Å; R181-E250 IonicContact NH1-OE1 2.8Å; R181-E250 IonicContact NH1-OE2 3.36Å; R181-E250 PolarHBondContact NH1-OE2 3.42Å; V185-E250 HydrophobicContact CG2-CB 4.28Å; V185-E250 HydrophobicContact CG2-CG 4.16Å; L195-E250 HydrophobicContact CD2-CG 4.13Å; Y198-E250 HydrophobicContact CD1-CB 4.49Å; Y198-E250 HydrophobicContact CE1-CB 3.81Å; Y198-E250 HydrophobicContact CE2-CB 4.39Å; Y198-E250 PolarHBondContact OH-N 3.28Å; E250-R252 HydrophobicContact CG-CB 4.43Å; E250-R252 WeakPolarHBondContact OE1-CB 3.41Å; E250-R252 WeakPolarHBondContact OE1-CG 3.32Å; E250-R252 PolarHBondContact OE1-N 3.29Å; E250-R252 IonicContact OE1-NE 3.72Å; E250-R252 PolarHBondContact OE1-NE 3.03Å; E250-R252 IonicContact OE2-NE 2.62Å; E250-C255 HydrophobicContact CG-CB 4.25Å; E250-C255 PolarHBondContact O-SG 3.29Å | ||
| 251 | T | 91.8 | Very high | 92 | Very high | 80 Ų | 80 | 66.3 Ų | 66.3 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | trans | -125.2 | 5.4 | -173 | 56.4 | 0 | 0 | 0 | 0 | 112.8 | L246 V258 | L246-T251 HydrophobicContact CD2-CG2 4.33Å; T251-V258 HydrophobicContact CG2-CG2 3.96Å | ||
| 252 | R | 85.7 | Confident | 92 | Very high | 108 Ų | 108 | 67.8 Ų | 67.8 | 41% | 0.408 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -54 | 153.4 | 168.5 | -77.8 | 171.6 | -144.1 | -158.4 | 8.1 | 110.7 | N186 E250 E254 C255 | N186-R252 PolarHBondContact OD1-NH2 2.57Å; E250-R252 HydrophobicContact CG-CB 4.43Å; E250-R252 WeakPolarHBondContact OE1-CB 3.41Å; E250-R252 WeakPolarHBondContact OE1-CG 3.32Å; E250-R252 PolarHBondContact OE1-N 3.29Å; E250-R252 IonicContact OE1-NE 3.72Å; E250-R252 PolarHBondContact OE1-NE 3.03Å; E250-R252 IonicContact OE2-NE 2.62Å; R252-E254 PolarHBondContact O-N 3.02Å; R252-C255 WeakPolarHBondContact O-CB 3.29Å; R252-C255 PolarHBondContact O-N 3.02Å; R252-C255 VanDerWaalsContact O-N 3.16Å |
| 253 | R | 75.9 | Confident | 92 | Very high | 239 Ų | 239 | 69.6 Ų | 69.6 | 90% | 0.902 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 141.5 | 174 | -69.8 | -174.4 | -178.1 | -162.6 | -0.1 | 109.6 | C255 | R253-C255 VanDerWaalsContact C-N 3.3Å; R253-C255 PolarHBondContact O-N 3.19Å |
| 254 | E | 76.5 | Confident | 92 | Very high | 201 Ų | 201 | 63 Ų | 63 | 94% | 0.939 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 2.5 | -178.6 | -50.5 | 167.8 | -174.5 | 0 | 0 | 115.5 | R252 | R252-E254 PolarHBondContact O-N 3.02Š|
| 255 | C | 85.9 | Confident | 92 | Very high | 18 Ų | 18 | 61.8 Ų | 61.8 | 12% | 0.122 | 29% | 0.29 | C | S | . | . | trans | -101.5 | 128.5 | 171.7 | -162.6 | 0 | 0 | 0 | 0 | 110.8 | L195 E250 R252 R253 S257 | L195-C255 HydrophobicContact CD1-CB 3.9Å; E250-C255 HydrophobicContact CG-CB 4.25Å; E250-C255 PolarHBondContact O-SG 3.29Å; R252-C255 WeakPolarHBondContact O-CB 3.29Å; R252-C255 PolarHBondContact O-N 3.02Å; R252-C255 VanDerWaalsContact O-N 3.16Å; R253-C255 VanDerWaalsContact C-N 3.3Å; R253-C255 PolarHBondContact O-N 3.19Å; C255-S257 PolarHBondContact SG-OG 3.04Å | ||
| 256 | N | 92 | Very high | 92 | Very high | 94 Ų | 94 | 62.4 Ų | 62.4 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | trans | -111.3 | 26 | -178.3 | 66.6 | -29.8 | 0 | 0 | 0 | 113.2 | V258 E259 A260 | N256-V258 VanDerWaalsContact C-N 3.31Å; N256-V258 PolarHBondContact O-N 3.23Å; N256-E259 WeakPolarHBondContact CA-OE2 3.24Å; N256-E259 HydrophobicContact CB-CB 4.5Å; N256-E259 PolarHBondContact O-N 3.43Å; N256-A260 WeakPolarHBondContact O-CB 3.22Å; N256-A260 PolarHBondContact O-N 3.36Å | ||
| 257 | S | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.3 | -32.8 | -174.2 | -60.2 | 0 | 0 | 0 | 0 | 113.8 | Y198 E203 L249 C255 L261 | Y198-S257 WeakPolarHBondContact CE1-OG 3.38Å; Y198-S257 PolarHBondContact OH-OG 2.8Å; E203-S257 WeakPolarHBondContact OE1-CA 3.13Å; E203-S257 WeakPolarHBondContact OE1-CB 3.48Å; E203-S257 PolarHBondContact OE1-OG 2.86Å; L249-S257 WeakPolarHBondContact CD1-O 3.49Å; C255-S257 PolarHBondContact SG-OG 3.04Å; S257-L261 WeakPolarHBondContact O-CB 3.11Å; S257-L261 PolarHBondContact O-N 3.18Å |
| 258 | V | 95.1 | Very high | 92.1 | Very high | 19 Ų | 19 | 55.9 Ų | 55.9 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 175.7 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | A245 L246 T251 N256 L261 M262 | A245-V258 HydrophobicContact CB-CB 4.37Å; A245-V258 HydrophobicContact CB-CG1 4.02Å; A245-V258 HydrophobicContact CB-CG2 4.11Å; L246-V258 HydrophobicContact CD2-CG2 4.29Å; T251-V258 HydrophobicContact CG2-CG2 3.96Å; N256-V258 VanDerWaalsContact C-N 3.31Å; N256-V258 PolarHBondContact O-N 3.23Å; V258-L261 PolarHBondContact O-N 2.99Å; V258-M262 HydrophobicContact CG1-CG 4.46Å; V258-M262 VanDerWaalsContact O-CG 3.27Å; V258-M262 WeakPolarHBondContact O-CG 3.47Å; V258-M262 PolarHBondContact O-N 3.24Å |
| 259 | E | 94.1 | Very high | 92.1 | Very high | 118 Ų | 118 | 55.9 Ų | 55.9 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.5 | -44.3 | 176.7 | -64.2 | 82.3 | 173.5 | 0 | 0 | 111.5 | N256 L261 M262 E263 | N256-E259 WeakPolarHBondContact CA-OE2 3.24Å; N256-E259 HydrophobicContact CB-CB 4.5Å; N256-E259 PolarHBondContact O-N 3.43Å; E259-L261 PolarHBondContact O-N 3.32Å; E259-M262 PolarHBondContact O-N 2.85Å; E259-E263 WeakPolarHBondContact O-CB 2.77Å; E259-E263 PolarHBondContact O-N 2.99Å |
| 260 | A | 95.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 55.9 Ų | 55.9 | 20% | 0.198 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L207 N256 C264 | L207-A260 HydrophobicContact CD1-CB 4.4Å; N256-A260 WeakPolarHBondContact O-CB 3.22Å; N256-A260 PolarHBondContact O-N 3.36Å; A260-C264 WeakPolarHBondContact O-CB 3.42Å; A260-C264 PolarHBondContact O-N 3.33Å |
| 261 | L | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 173.2 | -177.4 | 71.9 | 0 | 0 | 0 | 111.4 | Y206 L207 T210 A245 L249 S257 V258 E259 E263 C264 C265 | Y206-L261 HydrophobicContact CD1-CD1 3.81Å; Y206-L261 HydrophobicContact CE1-CD1 3.71Å; Y206-L261 HydrophobicContact CE1-CD2 3.74Å; Y206-L261 HydrophobicContact CE1-CG 4.37Å; L207-L261 VanDerWaalsContact CD2-CA 3.4Å; L207-L261 HydrophobicContact CD2-CB 3.87Å; L207-L261 HydrophobicContact CD2-CD1 3.69Å; L207-L261 HydrophobicContact CD2-CG 4.41Å; T210-L261 HydrophobicContact CG2-CD1 3.78Å; A245-L261 HydrophobicContact CB-CD2 3.4Å; L249-L261 HydrophobicContact CD1-CB 3.86Å; L249-L261 HydrophobicContact CD1-CD2 4.05Å; L249-L261 HydrophobicContact CD1-CG 4.46Å; S257-L261 WeakPolarHBondContact O-CB 3.11Å; S257-L261 PolarHBondContact O-N 3.18Å; V258-L261 PolarHBondContact O-N 2.99Å; E259-L261 PolarHBondContact O-N 3.32Å; L261-E263 VanDerWaalsContact C-N 3.32Å; L261-E263 PolarHBondContact O-N 3.41Å; L261-C264 WeakPolarHBondContact O-CB 3.43Å; L261-C264 PolarHBondContact O-N 3.22Å; L261-C265 WeakPolarHBondContact O-CB 3.28Å; L261-C265 PolarHBondContact O-N 3.12Å; L261-C265 PolarHBondContact O-SG 2.84Å; L261-C265 VanDerWaalsContact O-SG 3.34Å |
| 262 | M | 95.9 | Very high | 92.3 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 15% | 0.153 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | -179.3 | -69.7 | -49.5 | -64.9 | 0 | 0 | 111.6 | L238 E242 V258 E259 C265 V266 | L238-M262 HydrophobicContact CB-CE 4.21Å; L238-M262 HydrophobicContact CD2-CE 4.04Å; E242-M262 HydrophobicContact CB-CE 4.05Å; E242-M262 HydrophobicContact CB-SD 3.68Å; E242-M262 HydrophobicContact CG-SD 4.26Å; V258-M262 HydrophobicContact CG1-CG 4.46Å; V258-M262 VanDerWaalsContact O-CG 3.27Å; V258-M262 WeakPolarHBondContact O-CG 3.47Å; V258-M262 PolarHBondContact O-N 3.24Å; E259-M262 PolarHBondContact O-N 2.85Å; M262-C265 PolarHBondContact O-N 3.39Å; M262-V266 WeakPolarHBondContact O-CB 3.36Å; M262-V266 VanDerWaalsContact O-CG2 3.23Å; M262-V266 WeakPolarHBondContact O-CG2 3.06Å; M262-V266 PolarHBondContact O-N 3.31Å |
| 263 | E | 95.2 | Very high | 92.7 | Very high | 131 Ų | 131 | 54.4 Ų | 54.4 | 61% | 0.612 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.2 | -46.2 | 172.6 | -173.6 | 178.5 | 176.4 | 0 | 0 | 111.5 | E259 L261 C265 V266 N267 | E259-E263 WeakPolarHBondContact O-CB 2.77Å; E259-E263 PolarHBondContact O-N 2.99Å; L261-E263 VanDerWaalsContact C-N 3.32Å; L261-E263 PolarHBondContact O-N 3.41Å; E263-C265 PolarHBondContact O-N 2.96Å; E263-V266 PolarHBondContact O-N 2.88Å; E263-N267 WeakPolarHBondContact O-CB 3.42Å; E263-N267 PolarHBondContact O-N 2.75Å; E263-N267 PolarHBondContact O-ND2 3.39Å |
| 264 | C | 95.6 | Very high | 93.6 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 14% | 0.135 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.8 | -46.3 | 174.7 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | L207 A260 L261 N267 A268 | L207-C264 HydrophobicContact CD2-CB 4.21Å; A260-C264 WeakPolarHBondContact O-CB 3.42Å; A260-C264 PolarHBondContact O-N 3.33Å; L261-C264 WeakPolarHBondContact O-CB 3.43Å; L261-C264 PolarHBondContact O-N 3.22Å; C264-N267 PolarHBondContact O-N 3.28Å; C264-A268 WeakPolarHBondContact O-CB 2.92Å; C264-A268 PolarHBondContact O-N 2.94Å |
| 265 | C | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -43.3 | 178.5 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | T210 L238 L261 M262 E263 N267 A268 L269 | T210-C265 VanDerWaalsContact CG2-SG 3.56Å; L238-C265 HydrophobicContact CD2-CB 3.69Å; L261-C265 WeakPolarHBondContact O-CB 3.28Å; L261-C265 PolarHBondContact O-N 3.12Å; L261-C265 PolarHBondContact O-SG 2.84Å; L261-C265 VanDerWaalsContact O-SG 3.34Å; M262-C265 PolarHBondContact O-N 3.39Å; E263-C265 PolarHBondContact O-N 2.96Å; C265-N267 VanDerWaalsContact C-N 3.3Å; C265-N267 PolarHBondContact O-N 3.47Å; C265-A268 PolarHBondContact O-N 3Å; C265-L269 VanDerWaalsContact O-CB 3.24Å; C265-L269 WeakPolarHBondContact O-CB 3.42Å; C265-L269 PolarHBondContact O-N 2.89Å |
| 266 | V | 95.9 | Very high | 94.9 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 175.5 | 168.7 | 0 | 0 | 0 | 0 | 110.3 | L238 M262 E263 V270 T271 K302 V303 | L238-V266 HydrophobicContact CD1-CG2 4.47Å; L238-V266 HydrophobicContact CD2-CG2 3.89Å; M262-V266 WeakPolarHBondContact O-CB 3.36Å; M262-V266 VanDerWaalsContact O-CG2 3.23Å; M262-V266 WeakPolarHBondContact O-CG2 3.06Å; M262-V266 PolarHBondContact O-N 3.31Å; E263-V266 PolarHBondContact O-N 2.88Å; V266-V270 HydrophobicContact CG1-CB 4.31Å; V266-V270 CarbonylContact O-C 3.5Å; V266-V270 WeakPolarHBondContact O-CA 3.46Å; V266-V270 VanDerWaalsContact O-CB 3.29Å; V266-V270 WeakPolarHBondContact O-CB 3.23Å; V266-V270 PolarHBondContact O-N 3.4Å; V266-T271 PolarHBondContact O-N 3.3Å; V266-K302 HydrophobicContact CG1-CB 4.09Å; V266-K302 HydrophobicContact CG2-CB 4.06Å; V266-K302 HydrophobicContact CG2-CD 4.16Å; V266-V303 HydrophobicContact CG1-CG2 3.85Å |
| 267 | N | 95.4 | Very high | 95 | Very high | 66 Ų | 66 | 41.7 Ų | 41.7 | 35% | 0.353 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 176.8 | -75.8 | -30.3 | 0 | 0 | 0 | 112.6 | E263 C264 C265 T271 S272 | E263-N267 WeakPolarHBondContact O-CB 3.42Å; E263-N267 PolarHBondContact O-N 2.75Å; E263-N267 PolarHBondContact O-ND2 3.39Å; C264-N267 PolarHBondContact O-N 3.28Å; C265-N267 VanDerWaalsContact C-N 3.3Å; C265-N267 PolarHBondContact O-N 3.47Å; N267-T271 PolarHBondContact OD1-OG1 3.02Å; N267-S272 PolarHBondContact O-N 3.45Å; N267-S272 PolarHBondContact O-OG 3.46Å |
| 268 | A | 95.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 7% | 0.066 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.1 | -38.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C264 C265 F273 | C264-A268 WeakPolarHBondContact O-CB 2.92Å; C264-A268 PolarHBondContact O-N 2.94Å; C265-A268 PolarHBondContact O-N 3Å; A268-F273 WeakPolarHBondContact O-CE2 3.36Å |
| 269 | L | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -99.1 | -19.7 | -173.2 | -71.1 | 166 | 0 | 0 | 0 | 114.5 | Y214 A218 Y230 Y233 A234 K237 L238 C265 | Y214-L269 HydrophobicContact CD1-CD1 4.13Å; Y214-L269 HydrophobicContact CD1-CD2 3.6Å; Y214-L269 HydrophobicContact CD1-CG 4.08Å; Y214-L269 HydrophobicContact CD2-CD1 4.25Å; Y214-L269 HydrophobicContact CD2-CG 4.44Å; Y214-L269 HydrophobicContact CE1-CD1 4.14Å; Y214-L269 HydrophobicContact CE1-CD2 4.17Å; Y214-L269 HydrophobicContact CE2-CD1 4.28Å; Y214-L269 HydrophobicContact CG-CD1 4.17Å; Y214-L269 HydrophobicContact CG-CD2 3.96Å; Y214-L269 HydrophobicContact CG-CG 3.99Å; A218-L269 HydrophobicContact CB-CD2 4.08Å; Y230-L269 WeakPolarHBondContact CE1-O 3.14Å; Y230-L269 PolarHBondContact OH-O 3.36Å; Y233-L269 HydrophobicContact CE1-CD2 4.04Å; A234-L269 HydrophobicContact CB-CB 4.42Å; K237-L269 HydrophobicContact CB-CD1 3.97Å; L238-L269 HydrophobicContact CD2-CD1 4.24Å; L238-L269 HydrophobicContact CG-CD1 4.31Å; C265-L269 VanDerWaalsContact O-CB 3.24Å; C265-L269 WeakPolarHBondContact O-CB 3.42Å; C265-L269 PolarHBondContact O-N 2.89Å |
| 270 | V | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -59.2 | -173.4 | -167.6 | 0 | 0 | 0 | 0 | 110.4 | L238 V266 S272 F273 K274 L299 M300 V303 | L238-V270 HydrophobicContact CD1-CG2 4.03Å; V266-V270 HydrophobicContact CG1-CB 4.31Å; V266-V270 CarbonylContact O-C 3.5Å; V266-V270 WeakPolarHBondContact O-CA 3.46Å; V266-V270 VanDerWaalsContact O-CB 3.29Å; V266-V270 WeakPolarHBondContact O-CB 3.23Å; V266-V270 PolarHBondContact O-N 3.4Å; V270-S272 VanDerWaalsContact C-N 3.31Å; V270-S272 PolarHBondContact O-N 3Å; V270-F273 CarbonylContact O-C 3.54Å; V270-F273 PolarHBondContact O-N 3.32Å; V270-K274 PolarHBondContact O-N 3.44Å; V270-L299 HydrophobicContact CG1-CB 4.09Å; V270-L299 HydrophobicContact CG2-CD2 4.15Å; V270-M300 HydrophobicContact CG1-CE 3.31Å; V270-V303 HydrophobicContact CB-CG2 3.98Å; V270-V303 HydrophobicContact CG1-CG2 3.55Å |
| 271 | T | 95 | Very high | 95.2 | Very high | 51 Ų | 51 | 41.8 Ų | 41.8 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -57.9 | -43 | -177.1 | -51.9 | 0 | 0 | 0 | 0 | 111.7 | V266 N267 F273 K274 V303 | V266-T271 PolarHBondContact O-N 3.3Å; N267-T271 PolarHBondContact OD1-OG1 3.02Å; T271-F273 PolarHBondContact O-N 3.16Å; T271-K274 VanDerWaalsContact O-CB 3.28Å; T271-K274 WeakPolarHBondContact O-CB 3.3Å; T271-K274 PolarHBondContact O-N 2.97Å; T271-V303 HydrophobicContact CG2-CG1 4.4Å |
| 272 | S | 93.6 | Very high | 95.1 | Very high | 85 Ų | 85 | 45.5 Ų | 45.5 | 59% | 0.594 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -62.6 | -21.5 | 179 | -62.9 | 0 | 0 | 0 | 0 | 114.3 | N267 V270 | N267-S272 PolarHBondContact O-N 3.45Å; N267-S272 PolarHBondContact O-OG 3.46Å; V270-S272 VanDerWaalsContact C-N 3.31Å; V270-S272 PolarHBondContact O-N 3Å |
| 273 | F | 94.6 | Very high | 95.1 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 11% | 0.105 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -119 | 13.3 | -178.5 | -57 | -83.4 | 0 | 0 | 0 | 112.4 | A218 P219 L222 Y230 A268 V270 T271 E275 T276 I277 | A218-F273 HydrophobicContact CB-CE2 3.6Å; A218-F273 HydrophobicContact CB-CZ 3.76Å; P219-F273 HydrophobicContact CB-CE1 4.37Å; P219-F273 HydrophobicContact CB-CZ 4.32Å; P219-F273 HydrophobicContact CG-CE1 4.29Å; P219-F273 HydrophobicContact CG-CZ 3.81Å; L222-F273 HydrophobicContact CD2-CD1 3.4Å; L222-F273 HydrophobicContact CD2-CE1 3.78Å; L222-F273 HydrophobicContact CD2-CG 4.31Å; Y230-F273 HydrophobicContact CE1-CB 4.01Å; Y230-F273 HydrophobicContact CE1-CD2 4.05Å; Y230-F273 HydrophobicContact CE1-CG 4.05Å; Y230-F273 AromaticContact CZ-CD2 3.64Å; Y230-F273 AromaticContact CZ-CE2 3.97Å; Y230-F273 AromaticContact CZ-CG 3.98Å; Y230-F273 WeakPolarHBondContact OH-CD2 3.33Å; Y230-F273 WeakPolarHBondContact OH-CE2 3.37Å; A268-F273 WeakPolarHBondContact O-CE2 3.36Å; V270-F273 CarbonylContact O-C 3.54Å; V270-F273 PolarHBondContact O-N 3.32Å; T271-F273 PolarHBondContact O-N 3.16Å; F273-E275 VanDerWaalsContact C-N 3.35Å; F273-E275 PolarHBondContact O-N 3.27Å; F273-T276 PolarHBondContact O-N 3.22Å; F273-T276 VanDerWaalsContact O-N 3.17Å; F273-I277 HydrophobicContact CB-CD1 4.25Å; F273-I277 HydrophobicContact CB-CG1 4.49Å; F273-I277 WeakPolarHBondContact O-CG1 3.38Å; F273-I277 PolarHBondContact O-N 3.32Å |
| 274 | K | 94.1 | Very high | 95.1 | Very high | 51 Ų | 51 | 38.6 Ų | 38.6 | 22% | 0.222 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -51.3 | -51.8 | -175.5 | 172.5 | 179.6 | 178 | 175.5 | 0 | 111.7 | V270 T271 T276 I277 L278 M300 V303 N305 | V270-K274 PolarHBondContact O-N 3.44Å; T271-K274 VanDerWaalsContact O-CB 3.28Å; T271-K274 WeakPolarHBondContact O-CB 3.3Å; T271-K274 PolarHBondContact O-N 2.97Å; K274-T276 PolarHBondContact O-N 3.47Å; K274-I277 PolarHBondContact O-N 3.5Å; K274-L278 HydrophobicContact CD-CD1 4.34Å; K274-L278 HydrophobicContact CG-CD1 3.6Å; K274-L278 HydrophobicContact CG-CG 4.38Å; K274-L278 WeakPolarHBondContact O-CB 3.4Å; K274-L278 VanDerWaalsContact O-CG 3.24Å; K274-L278 WeakPolarHBondContact O-CG 3.44Å; K274-L278 PolarHBondContact O-N 3.15Å; K274-M300 HydrophobicContact CG-SD 4.33Å; K274-V303 HydrophobicContact CD-CG1 4.34Å; K274-N305 PolarHBondContact NZ-O 2.6Å |
| 275 | E | 94.7 | Very high | 95.1 | Very high | 169 Ų | 169 | 37.7 Ų | 37.7 | 79% | 0.79 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -62.3 | -42.8 | -177.7 | -63.8 | -175.8 | 169.6 | 0 | 0 | 112 | F273 L278 A279 | F273-E275 VanDerWaalsContact C-N 3.35Å; F273-E275 PolarHBondContact O-N 3.27Å; E275-L278 PolarHBondContact O-N 3.06Å; E275-A279 WeakPolarHBondContact O-CB 3.32Å; E275-A279 PolarHBondContact O-N 2.92Å |
| 276 | T | 94.7 | Very high | 95 | Very high | 64 Ų | 64 | 43.2 Ų | 43.2 | 39% | 0.393 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.2 | -38.8 | 178.6 | -47.1 | 0 | 0 | 0 | 0 | 112.4 | L222 V227 F273 K274 | L222-T276 HydrophobicContact CD2-CG2 4.24Å; V227-T276 HydrophobicContact CG2-CG2 3.9Å; F273-T276 PolarHBondContact O-N 3.22Å; F273-T276 VanDerWaalsContact O-N 3.17Å; K274-T276 PolarHBondContact O-N 3.47Å |
| 277 | I | 95.1 | Very high | 95 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.6 | -48.4 | 175.9 | -66.4 | 166.5 | 0 | 0 | 0 | 110 | V227 Y230 M231 F273 K274 A279 E280 M296 M300 | V227-I277 HydrophobicContact CG1-CG1 4.3Å; Y230-I277 HydrophobicContact CD1-CD1 4.37Å; Y230-I277 HydrophobicContact CD1-CG1 4.49Å; Y230-I277 HydrophobicContact CE1-CD1 4.18Å; M231-I277 HydrophobicContact CG-CG1 4.4Å; M231-I277 HydrophobicContact CG-CG2 4.1Å; M231-I277 HydrophobicContact SD-CG2 3.68Å; F273-I277 HydrophobicContact CB-CD1 4.25Å; F273-I277 HydrophobicContact CB-CG1 4.49Å; F273-I277 WeakPolarHBondContact O-CG1 3.38Å; F273-I277 PolarHBondContact O-N 3.32Å; K274-I277 PolarHBondContact O-N 3.5Å; I277-A279 VanDerWaalsContact C-N 3.29Å; I277-A279 PolarHBondContact O-N 2.94Å; I277-E280 PolarHBondContact O-N 3.27Å; I277-M296 HydrophobicContact CG2-CE 3.93Å; I277-M296 HydrophobicContact CG2-CG 3.95Å; I277-M296 HydrophobicContact CG2-SD 4.44Å; I277-M296 WeakPolarHBondContact O-CE 3.46Å; I277-M300 HydrophobicContact CB-CE 4.29Å; I277-M300 HydrophobicContact CD1-CE 3.95Å; I277-M300 HydrophobicContact CG2-CE 3.98Å |
| 278 | L | 94.9 | Very high | 94.9 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.6 | -28.1 | -177.7 | -70.7 | 172.4 | 0 | 0 | 0 | 113.1 | K274 E275 E280 C281 M300 P309 M310 | K274-L278 HydrophobicContact CD-CD1 4.34Å; K274-L278 HydrophobicContact CG-CD1 3.6Å; K274-L278 HydrophobicContact CG-CG 4.38Å; K274-L278 WeakPolarHBondContact O-CB 3.4Å; K274-L278 VanDerWaalsContact O-CG 3.24Å; K274-L278 WeakPolarHBondContact O-CG 3.44Å; K274-L278 PolarHBondContact O-N 3.15Å; E275-L278 PolarHBondContact O-N 3.06Å; L278-E280 PolarHBondContact O-N 3.16Å; L278-E280 VanDerWaalsContact O-N 3.13Å; L278-C281 WeakPolarHBondContact O-CB 3.36Å; L278-C281 PolarHBondContact O-N 3.31Å; L278-M300 HydrophobicContact CD1-SD 4.4Å; L278-M300 HydrophobicContact CD2-CG 4.01Å; L278-M300 HydrophobicContact CD2-SD 3.93Å; L278-M300 HydrophobicContact CG-SD 4.02Å; L278-P309 HydrophobicContact CD1-CB 3.91Å; L278-P309 HydrophobicContact CD1-CG 3.73Å; L278-P309 HydrophobicContact CD2-CB 4.26Å; L278-M310 HydrophobicContact CD2-CG 3.62Å; L278-M310 HydrophobicContact CD2-SD 4.45Å |
| 279 | A | 95 | Very high | 94.9 | Very high | 78 Ų | 78 | 51.5 Ų | 51.5 | 65% | 0.645 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -26.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E275 I277 | E275-A279 WeakPolarHBondContact O-CB 3.32Å; E275-A279 PolarHBondContact O-N 2.92Å; I277-A279 VanDerWaalsContact C-N 3.29Å; I277-A279 PolarHBondContact O-N 2.94Å |
| 280 | E | 94.6 | Very high | 94.9 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -15.8 | 176 | -68.4 | -67.6 | 144.6 | 0 | 0 | 113.4 | V227 I277 L278 Q282 G283 M284 M296 | V227-E280 HydrophobicContact CB-CG 3.93Å; V227-E280 HydrophobicContact CG1-CG 3.87Å; V227-E280 HydrophobicContact CG2-CG 4.1Å; I277-E280 PolarHBondContact O-N 3.27Å; L278-E280 PolarHBondContact O-N 3.16Å; L278-E280 VanDerWaalsContact O-N 3.13Å; E280-Q282 PolarHBondContact O-N 2.94Å; E280-G283 PolarHBondContact O-N 3.31Å; E280-G283 VanDerWaalsContact O-N 3.17Å; E280-M284 HydrophobicContact CB-CE 3.73Å; E280-M284 HydrophobicContact CG-CE 4.48Å; E280-M284 WeakPolarHBondContact O-CG 3.42Å; E280-M284 PolarHBondContact O-N 3.38Å; E280-M296 HydrophobicContact CB-CE 4.28Å |
| 281 | C | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.5 | -54.2 | -170.1 | -169.6 | 0 | 0 | 0 | 0 | 111.8 | L278 G283 M284 I285 M296 D313 | L278-C281 WeakPolarHBondContact O-CB 3.36Å; L278-C281 PolarHBondContact O-N 3.31Å; C281-G283 PolarHBondContact O-N 2.9Å; C281-M284 PolarHBondContact O-N 3.47Å; C281-M284 VanDerWaalsContact O-N 3.08Å; C281-I285 WeakPolarHBondContact O-CG1 3.33Å; C281-I285 PolarHBondContact O-N 2.9Å; C281-M296 HydrophobicContact CB-CE 4.21Å; C281-M296 HydrophobicContact CB-SD 3.56Å; C281-M296 VanDerWaalsContact CB-SD 3.56Å; C281-M296 VanDerWaalsContact SG-SD 3.68Å; C281-D313 WeakPolarHBondContact CB-OD2 3.4Å |
| 282 | Q | 95 | Very high | 94.9 | Very high | 78 Ų | 78 | 61.6 Ų | 61.6 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -54.2 | -40.1 | 178.2 | -163 | -165.4 | 47.6 | 0 | 0 | 112.7 | E280 K286 D313 | E280-Q282 PolarHBondContact O-N 2.94Å; Q282-K286 WeakPolarHBondContact O-CG 3.47Å; Q282-K286 PolarHBondContact O-N 2.74Å; Q282-K286 VanDerWaalsContact O-N 3.11Å; Q282-D313 PolarHBondContact N-OD2 2.79Å |
| 283 | G | 94.9 | Very high | 95 | Very high | 18 Ų | 18 | 57.5 Ų | 57.5 | 19% | 0.186 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E280 C281 K286 R287 | E280-G283 PolarHBondContact O-N 3.31Å; E280-G283 VanDerWaalsContact O-N 3.17Å; C281-G283 PolarHBondContact O-N 2.9Å; G283-K286 PolarHBondContact O-N 2.88Å; G283-R287 VanDerWaalsContact C-CZ 3.5Å; G283-R287 WeakPolarHBondContact O-CG 3.44Å; G283-R287 VanDerWaalsContact O-CZ 3.3Å; G283-R287 PolarHBondContact O-N 2.84Å; G283-R287 VanDerWaalsContact O-N 3.07Å |
| 284 | M | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 177.3 | -68.4 | -174.9 | -172.6 | 0 | 0 | 112.2 | Q228 M231 E280 C281 R287 N288 E289 K292 L293 M296 | Q228-M284 HydrophobicContact CG-CE 3.73Å; M231-M284 HydrophobicContact CE-CE 3.51Å; M231-M284 HydrophobicContact CE-SD 4.17Å; E280-M284 HydrophobicContact CB-CE 3.73Å; E280-M284 HydrophobicContact CG-CE 4.48Å; E280-M284 WeakPolarHBondContact O-CG 3.42Å; E280-M284 PolarHBondContact O-N 3.38Å; C281-M284 PolarHBondContact O-N 3.47Å; C281-M284 VanDerWaalsContact O-N 3.08Å; M284-R287 PolarHBondContact O-N 2.67Å; M284-N288 PolarHBondContact O-N 3.43Å; M284-N288 VanDerWaalsContact O-N 3.09Å; M284-E289 HydrophobicContact CB-CB 4.33Å; M284-E289 WeakPolarHBondContact CG-OE2 3.27Å; M284-E289 PolarHBondContact O-N 3.09Å; M284-K292 HydrophobicContact CE-CB 4.37Å; M284-K292 HydrophobicContact SD-CB 3.75Å; M284-L293 HydrophobicContact CB-CD2 3.62Å; M284-L293 HydrophobicContact CB-CG 3.94Å; M284-M296 HydrophobicContact CE-CE 3.97Å; M284-M296 HydrophobicContact SD-CE 3.65Å |
| 285 | I | 96.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -51.5 | 174.2 | -67.3 | 176.5 | 0 | 0 | 0 | 109.9 | C281 R287 N288 L293 D313 L314 H317 L354 | C281-I285 WeakPolarHBondContact O-CG1 3.33Å; C281-I285 PolarHBondContact O-N 2.9Å; I285-R287 VanDerWaalsContact C-N 3.26Å; I285-R287 PolarHBondContact O-N 3.19Å; I285-N288 PolarHBondContact O-N 2.88Å; I285-L293 HydrophobicContact CG1-CD1 4.05Å; I285-L293 HydrophobicContact CG1-CD2 3.74Å; I285-D313 HydrophobicContact CD1-CB 3.84Å; I285-L314 HydrophobicContact CD1-CB 4.15Å; I285-L314 HydrophobicContact CG2-CD1 4.31Å; I285-H317 HydrophobicContact CG2-CB 3.59Å; I285-H317 WeakPolarHBondContact CG2-CD2 3.47Å; I285-H317 VanDerWaalsContact CG2-CG 3.41Å; I285-L354 HydrophobicContact CG2-CD2 4.23Å |
| 286 | K | 94.3 | Very high | 95.3 | Very high | 116 Ų | 116 | 50 Ų | 50 | 50% | 0.504 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.5 | -34.5 | 180 | -75.4 | 172.7 | -178.2 | 169.8 | 0 | 113.4 | Q282 G283 | Q282-K286 WeakPolarHBondContact O-CG 3.47Å; Q282-K286 PolarHBondContact O-N 2.74Å; Q282-K286 VanDerWaalsContact O-N 3.11Å; G283-K286 PolarHBondContact O-N 2.88Å |
| 287 | R | 95 | Very high | 95.4 | Very high | 132 Ų | 132 | 47.8 Ų | 47.8 | 50% | 0.498 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 0.1 | 178.7 | -68 | -175.4 | -60.2 | -94.2 | -1.6 | 113.9 | G283 M284 I285 E289 | G283-R287 VanDerWaalsContact C-CZ 3.5Å; G283-R287 WeakPolarHBondContact O-CG 3.44Å; G283-R287 VanDerWaalsContact O-CZ 3.3Å; G283-R287 PolarHBondContact O-N 2.84Å; G283-R287 VanDerWaalsContact O-N 3.07Å; M284-R287 PolarHBondContact O-N 2.67Å; I285-R287 VanDerWaalsContact C-N 3.26Å; I285-R287 PolarHBondContact O-N 3.19Å; R287-E289 VanDerWaalsContact C-N 3.3Å; R287-E289 HydrophobicContact CB-CG 3.84Å; R287-E289 IonicContact CZ-OE2 3.8Å; R287-E289 IonicContact NE-OE1 2.7Å; R287-E289 IonicContact NE-OE2 3.33Å; R287-E289 PolarHBondContact NE-OE2 3.3Å; R287-E289 IonicContact NH2-OE2 3.13Å; R287-E289 PolarHBondContact NH2-OE2 2.87Å; R287-E289 PolarHBondContact O-N 3.43Å |
| 288 | N | 93.4 | Very high | 95.5 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 39.9 | -177.7 | -163.2 | 61.2 | 0 | 0 | 0 | 113.2 | M284 I285 T290 | M284-N288 PolarHBondContact O-N 3.43Å; M284-N288 VanDerWaalsContact O-N 3.09Å; I285-N288 PolarHBondContact O-N 2.88Å; N288-T290 VanDerWaalsContact C-N 3.26Å; N288-T290 PolarHBondContact O-N 3.47Å |
| 289 | E | 95.1 | Very high | 95.5 | Very high | 43 Ų | 43 | 48.5 Ų | 48.5 | 20% | 0.201 | 25% | 0.245 | C | C | . | . | trans | -82.3 | 64.3 | -179.5 | -63.2 | -178.3 | 120.7 | 0 | 0 | 111.4 | M284 R287 E291 K292 L293 | M284-E289 HydrophobicContact CB-CB 4.33Å; M284-E289 WeakPolarHBondContact CG-OE2 3.27Å; M284-E289 PolarHBondContact O-N 3.09Å; R287-E289 VanDerWaalsContact C-N 3.3Å; R287-E289 HydrophobicContact CB-CG 3.84Å; R287-E289 IonicContact CZ-OE2 3.8Å; R287-E289 IonicContact NE-OE1 2.7Å; R287-E289 IonicContact NE-OE2 3.33Å; R287-E289 PolarHBondContact NE-OE2 3.3Å; R287-E289 IonicContact NH2-OE2 3.13Å; R287-E289 PolarHBondContact NH2-OE2 2.87Å; R287-E289 PolarHBondContact O-N 3.43Å; E289-E291 PolarHBondContact O-N 3.03Å; E289-K292 HydrophobicContact CB-CB 4.25Å; E289-K292 HydrophobicContact CB-CD 4.03Å; E289-K292 HydrophobicContact CB-CG 4.3Å; E289-K292 HydrophobicContact CG-CD 4.43Å; E289-K292 PolarHBondContact O-N 2.74Å; E289-K292 IonicContact OE1-NZ 3.91Å; E289-K292 PolarHBondContact OE1-NZ 2.91Å; E289-L293 PolarHBondContact O-N 2.94Å | ||
| 290 | T | 95.5 | Very high | 95.6 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 16% | 0.16 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.3 | -42.2 | -168.5 | 54 | 0 | 0 | 0 | 0 | 114.3 | N288 K292 L293 H294 L354 E357 A358 | N288-T290 VanDerWaalsContact C-N 3.26Å; N288-T290 PolarHBondContact O-N 3.47Å; T290-K292 VanDerWaalsContact C-N 3.31Å; T290-K292 PolarHBondContact O-N 2.7Å; T290-L293 PolarHBondContact O-N 2.96Å; T290-H294 WeakPolarHBondContact O-CB 3.39Å; T290-H294 PolarHBondContact O-N 3.32Å; T290-L354 HydrophobicContact CG2-CD1 4.09Å; T290-E357 HydrophobicContact CG2-CB 3.73Å; T290-A358 HydrophobicContact CG2-CB 4.29Å |
| 291 | E | 95.5 | Very high | 95.7 | Very high | 171 Ų | 171 | 45.2 Ų | 45.2 | 80% | 0.799 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.3 | -38.4 | 176.8 | -64.6 | -177.5 | 174.7 | 0 | 0 | 112.8 | E289 H294 L295 | E289-E291 PolarHBondContact O-N 3.03Å; E291-H294 PolarHBondContact O-N 2.92Å; E291-L295 PolarHBondContact O-N 2.94Å |
| 292 | K | 94.9 | Very high | 95.5 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 29% | 0.287 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74.4 | -37.9 | 179.9 | -57.4 | -178.3 | -170.2 | 174 | 0 | 110.9 | Q228 M284 E289 T290 H294 L295 M296 | Q228-K292 VanDerWaalsContact OE1-CD 3.31Å; Q228-K292 VanDerWaalsContact OE1-CE 3.22Å; M284-K292 HydrophobicContact CE-CB 4.37Å; M284-K292 HydrophobicContact SD-CB 3.75Å; E289-K292 HydrophobicContact CB-CB 4.25Å; E289-K292 HydrophobicContact CB-CD 4.03Å; E289-K292 HydrophobicContact CB-CG 4.3Å; E289-K292 HydrophobicContact CG-CD 4.43Å; E289-K292 PolarHBondContact O-N 2.74Å; E289-K292 IonicContact OE1-NZ 3.91Å; E289-K292 PolarHBondContact OE1-NZ 2.91Å; T290-K292 VanDerWaalsContact C-N 3.31Å; T290-K292 PolarHBondContact O-N 2.7Å; K292-H294 VanDerWaalsContact C-N 3.32Å; K292-L295 PolarHBondContact O-N 3.01Å; K292-M296 WeakPolarHBondContact O-CB 3.48Å; K292-M296 PolarHBondContact O-N 3.41Å |
| 293 | L | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -38.3 | 173.2 | -70.7 | 169.1 | 0 | 0 | 0 | 111.7 | M284 I285 E289 T290 L295 M296 F297 L354 A358 F359 | M284-L293 HydrophobicContact CB-CD2 3.62Å; M284-L293 HydrophobicContact CB-CG 3.94Å; I285-L293 HydrophobicContact CG1-CD1 4.05Å; I285-L293 HydrophobicContact CG1-CD2 3.74Å; E289-L293 PolarHBondContact O-N 2.94Å; T290-L293 PolarHBondContact O-N 2.96Å; L293-L295 VanDerWaalsContact C-N 3.35Å; L293-M296 PolarHBondContact O-N 3.41Å; L293-F297 WeakPolarHBondContact O-CB 3.42Å; L293-F297 PolarHBondContact O-N 3.3Å; L293-L354 HydrophobicContact CD1-CD1 4.12Å; L293-A358 HydrophobicContact CB-CB 3.71Å; L293-A358 HydrophobicContact CD1-CB 3.94Å; L293-A358 HydrophobicContact CG-CB 4.5Å; L293-F359 HydrophobicContact CB-CE1 4.18Å; L293-F359 HydrophobicContact CB-CZ 4.27Å; L293-F359 HydrophobicContact CD1-CZ 4.44Å; L293-F359 HydrophobicContact CD2-CZ 4.42Å |
| 294 | H | 96.6 | Very high | 95.3 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 27% | 0.269 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 175.7 | -174.4 | 60.7 | 0 | 0 | 0 | 112 | T290 E291 K292 F297 S298 A358 Q360 | T290-H294 WeakPolarHBondContact O-CB 3.39Å; T290-H294 PolarHBondContact O-N 3.32Å; E291-H294 PolarHBondContact O-N 2.92Å; K292-H294 VanDerWaalsContact C-N 3.32Å; H294-F297 PolarHBondContact O-N 3.41Å; H294-S298 PolarHBondContact O-N 3.23Å; H294-A358 WeakPolarHBondContact CA-O 3.47Å; H294-A358 WeakPolarHBondContact CB-O 3.28Å; H294-A358 PolarHBondContact N-O 3.11Å; H294-A358 PolarHBondContact ND1-O 3.33Å; H294-Q360 PolarHBondContact CE1-NE2 3.45Å; H294-Q360 PolarHBondContact NE2-NE2 3.17Å |
| 295 | L | 96.1 | Very high | 95 | Very high | 28 Ų | 28 | 56.2 Ų | 56.2 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 173.7 | -179.4 | 63.5 | 0 | 0 | 0 | 112.5 | M231 K232 D235 E291 K292 L293 F297 S298 L299 | M231-L295 HydrophobicContact CB-CD2 3.77Å; M231-L295 HydrophobicContact CB-CG 4.08Å; K232-L295 HydrophobicContact CB-CD2 4.3Å; K232-L295 HydrophobicContact CG-CD2 3.5Å; K232-L295 VanDerWaalsContact CG-CD2 3.5Å; D235-L295 HydrophobicContact CB-CD1 3.65Å; E291-L295 PolarHBondContact O-N 2.94Å; K292-L295 PolarHBondContact O-N 3.01Å; L293-L295 VanDerWaalsContact C-N 3.35Å; L295-F297 VanDerWaalsContact C-N 3.32Å; L295-F297 PolarHBondContact O-N 3.02Å; L295-S298 PolarHBondContact O-N 3.25Å; L295-S298 PolarHBondContact O-OG 3.4Å; L295-L299 WeakPolarHBondContact O-CG 3.44Å; L295-L299 PolarHBondContact O-N 3.33Å |
| 296 | M | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 175 | -175.9 | 179.3 | -72.8 | 0 | 0 | 110.9 | M231 I277 E280 C281 M284 K292 L293 L299 M300 M310 | M231-M296 HydrophobicContact CE-CB 4.47Å; M231-M296 HydrophobicContact CE-CE 4.2Å; M231-M296 HydrophobicContact SD-CB 3.73Å; M231-M296 HydrophobicContact SD-CE 3.93Å; M231-M296 HydrophobicContact SD-CG 4.09Å; I277-M296 HydrophobicContact CG2-CE 3.93Å; I277-M296 HydrophobicContact CG2-CG 3.95Å; I277-M296 HydrophobicContact CG2-SD 4.44Å; I277-M296 WeakPolarHBondContact O-CE 3.46Å; E280-M296 HydrophobicContact CB-CE 4.28Å; C281-M296 HydrophobicContact CB-CE 4.21Å; C281-M296 HydrophobicContact CB-SD 3.56Å; C281-M296 VanDerWaalsContact CB-SD 3.56Å; C281-M296 VanDerWaalsContact SG-SD 3.68Å; M284-M296 HydrophobicContact CE-CE 3.97Å; M284-M296 HydrophobicContact SD-CE 3.65Å; K292-M296 WeakPolarHBondContact O-CB 3.48Å; K292-M296 PolarHBondContact O-N 3.41Å; L293-M296 PolarHBondContact O-N 3.41Å; M296-L299 PolarHBondContact O-N 3.02Å; M296-M300 HydrophobicContact CG-CG 4.18Å; M296-M300 WeakPolarHBondContact O-CB 3.1Å; M296-M300 VanDerWaalsContact O-CG 3.3Å; M296-M300 WeakPolarHBondContact O-CG 3.39Å; M296-M300 PolarHBondContact O-N 3.33Å; M296-M310 HydrophobicContact CB-CE 4.1Å; M296-M310 HydrophobicContact CG-CE 3.78Å; M296-M310 HydrophobicContact CG-SD 3.98Å; M296-M310 HydrophobicContact SD-CE 3.92Å; M296-M310 HydrophobicContact SD-SD 4.32Å |
| 297 | F | 96.9 | Very high | 94.9 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 177 | 169.8 | -121.9 | 0 | 0 | 0 | 111.5 | L293 H294 L295 L299 M300 D301 I307 M310 F359 D362 F365 | L293-F297 WeakPolarHBondContact O-CB 3.42Å; L293-F297 PolarHBondContact O-N 3.3Å; H294-F297 PolarHBondContact O-N 3.41Å; L295-F297 VanDerWaalsContact C-N 3.32Å; L295-F297 PolarHBondContact O-N 3.02Å; F297-L299 PolarHBondContact O-N 3.4Å; F297-M300 PolarHBondContact O-N 3.27Å; F297-D301 HydrophobicContact CD2-CB 4.42Å; F297-D301 HydrophobicContact CE2-CB 4.12Å; F297-D301 VanDerWaalsContact O-CB 3.29Å; F297-D301 WeakPolarHBondContact O-CB 2.9Å; F297-D301 PolarHBondContact O-N 2.97Å; F297-I307 HydrophobicContact CD2-CG2 4.2Å; F297-I307 HydrophobicContact CE2-CG2 4.28Å; F297-M310 HydrophobicContact CB-CE 4.09Å; F297-F359 HydrophobicContact CB-CD1 3.94Å; F297-F359 HydrophobicContact CB-CE1 4.27Å; F297-F359 HydrophobicContact CG-CD1 4.1Å; F297-D362 HydrophobicContact CZ-CB 4.12Å; F297-D362 WeakPolarHBondContact CZ-OD2 3.13Å; F297-F365 AromaticContact CD2-CE2 3.65Å; F297-F365 HydrophobicContact CD2-CE2 3.65Å; F297-F365 HydrophobicContact CD2-CZ 4.14Å; F297-F365 HydrophobicContact CE2-CD2 4.45Å; F297-F365 AromaticContact CE2-CE2 3.7Å; F297-F365 HydrophobicContact CE2-CE2 3.7Å; F297-F365 HydrophobicContact CG-CE2 4.47Å |
| 298 | S | 95.5 | Very high | 94.9 | Very high | 33 Ų | 33 | 50.5 Ų | 50.5 | 23% | 0.231 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -28.6 | 180 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | H294 L295 K302 | H294-S298 PolarHBondContact O-N 3.23Å; L295-S298 PolarHBondContact O-N 3.25Å; L295-S298 PolarHBondContact O-OG 3.4Å; S298-K302 WeakPolarHBondContact O-CE 3.45Å |
| 299 | L | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -79.8 | -47.9 | 173.7 | -66.7 | 175 | 0 | 0 | 0 | 111.8 | M231 A234 D235 L238 V270 L295 M296 F297 D301 K302 | M231-L299 HydrophobicContact CB-CD1 3.7Å; M231-L299 HydrophobicContact CG-CD1 3.88Å; M231-L299 HydrophobicContact SD-CD1 4.49Å; A234-L299 HydrophobicContact CB-CD1 4.39Å; A234-L299 HydrophobicContact CB-CD2 4.3Å; D235-L299 HydrophobicContact CB-CD2 4.11Å; L238-L299 HydrophobicContact CD1-CD2 3.91Å; V270-L299 HydrophobicContact CG1-CB 4.09Å; V270-L299 HydrophobicContact CG2-CD2 4.15Å; L295-L299 WeakPolarHBondContact O-CG 3.44Å; L295-L299 PolarHBondContact O-N 3.33Å; M296-L299 PolarHBondContact O-N 3.02Å; F297-L299 PolarHBondContact O-N 3.4Å; L299-D301 VanDerWaalsContact C-N 3.32Å; L299-D301 PolarHBondContact O-N 2.91Å; L299-K302 WeakPolarHBondContact O-CB 3.25Å; L299-K302 PolarHBondContact O-N 3.49Å |
| 300 | M | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.4 | -28 | -176.5 | -70.5 | -57 | 104.4 | 0 | 0 | 113 | V270 K274 I277 L278 M296 F297 K302 V303 G306 I307 M310 | V270-M300 HydrophobicContact CG1-CE 3.31Å; K274-M300 HydrophobicContact CG-SD 4.33Å; I277-M300 HydrophobicContact CB-CE 4.29Å; I277-M300 HydrophobicContact CD1-CE 3.95Å; I277-M300 HydrophobicContact CG2-CE 3.98Å; L278-M300 HydrophobicContact CD1-SD 4.4Å; L278-M300 HydrophobicContact CD2-CG 4.01Å; L278-M300 HydrophobicContact CD2-SD 3.93Å; L278-M300 HydrophobicContact CG-SD 4.02Å; M296-M300 HydrophobicContact CG-CG 4.18Å; M296-M300 WeakPolarHBondContact O-CB 3.1Å; M296-M300 VanDerWaalsContact O-CG 3.3Å; M296-M300 WeakPolarHBondContact O-CG 3.39Å; M296-M300 PolarHBondContact O-N 3.33Å; F297-M300 PolarHBondContact O-N 3.27Å; M300-K302 PolarHBondContact O-N 3.35Å; M300-V303 PolarHBondContact O-N 3.02Å; M300-V303 VanDerWaalsContact O-N 3.09Å; M300-V303 VanDerWaalsContact O-O 3.12Å; M300-G306 WeakPolarHBondContact O-CA 3.36Å; M300-I307 HydrophobicContact CB-CG2 4.14Å; M300-M310 HydrophobicContact CB-SD 3.77Å; M300-M310 HydrophobicContact CG-SD 3.73Å |
| 301 | D | 95.7 | Very high | 95.3 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 41% | 0.412 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19.9 | 175.7 | -163.1 | 53 | 0 | 0 | 0 | 112.5 | F297 L299 V303 I307 R364 | F297-D301 HydrophobicContact CD2-CB 4.42Å; F297-D301 HydrophobicContact CE2-CB 4.12Å; F297-D301 VanDerWaalsContact O-CB 3.29Å; F297-D301 WeakPolarHBondContact O-CB 2.9Å; F297-D301 PolarHBondContact O-N 2.97Å; L299-D301 VanDerWaalsContact C-N 3.32Å; L299-D301 PolarHBondContact O-N 2.91Å; D301-V303 VanDerWaalsContact C-N 3.33Å; D301-I307 HydrophobicContact CB-CG2 4.32Å; D301-R364 IonicContact OD1-CZ 3.52Å; D301-R364 VanDerWaalsContact OD1-CZ 3.25Å; D301-R364 IonicContact OD1-NH1 2.66Å; D301-R364 PolarHBondContact OD1-NH1 3.49Å; D301-R364 IonicContact OD1-NH2 2.96Å; D301-R364 PolarHBondContact OD1-NH2 3.23Å; D301-R364 IonicContact OD2-NH2 3.31Å |
| 302 | K | 93.7 | Very high | 95.3 | Very high | 111 Ų | 111 | 44.5 Ų | 44.5 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -13.5 | 173.2 | -59.1 | 178 | -173.3 | -63.2 | 0 | 113.2 | L238 V266 S298 L299 M300 | L238-K302 HydrophobicContact CD1-CD 4.16Å; V266-K302 HydrophobicContact CG1-CB 4.09Å; V266-K302 HydrophobicContact CG2-CB 4.06Å; V266-K302 HydrophobicContact CG2-CD 4.16Å; S298-K302 WeakPolarHBondContact O-CE 3.45Å; L299-K302 WeakPolarHBondContact O-CB 3.25Å; L299-K302 PolarHBondContact O-N 3.49Å; M300-K302 PolarHBondContact O-N 3.35Å |
| 303 | V | 93.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -103.9 | 130.1 | -177.2 | -179 | 0 | 0 | 0 | 0 | 109.3 | V266 V270 T271 K274 M300 D301 N305 G306 | V266-V303 HydrophobicContact CG1-CG2 3.85Å; V270-V303 HydrophobicContact CB-CG2 3.98Å; V270-V303 HydrophobicContact CG1-CG2 3.55Å; T271-V303 HydrophobicContact CG2-CG1 4.4Å; K274-V303 HydrophobicContact CD-CG1 4.34Å; M300-V303 PolarHBondContact O-N 3.02Å; M300-V303 VanDerWaalsContact O-N 3.09Å; M300-V303 VanDerWaalsContact O-O 3.12Å; D301-V303 VanDerWaalsContact C-N 3.33Å; V303-N305 PolarHBondContact O-N 3.32Å; V303-G306 PolarHBondContact O-N 2.8Å |
| 304 | P | 90.5 | Very high | 95.4 | Very high | 105 Ų | 105 | 42.7 Ų | 42.7 | 68% | 0.682 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 125.8 | 172.3 | -26 | 34.5 | 0 | 0 | 0 | 111.3 | G306 | P304-G306 PolarHBondContact O-N 3.06Å; P304-G306 VanDerWaalsContact O-N 3.11Å |
| 305 | N | 90.4 | Very high | 95.5 | Very high | 101 Ų | 101 | 41.8 Ų | 41.8 | 54% | 0.54 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 26.3 | -176 | -50.4 | -26.3 | 0 | 0 | 0 | 113.5 | K274 V303 I307 E308 | K274-N305 PolarHBondContact NZ-O 2.6Å; V303-N305 PolarHBondContact O-N 3.32Å; N305-I307 VanDerWaalsContact C-N 3.35Å; N305-E308 HydrophobicContact CB-CG 4.22Å |
| 306 | G | 92.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -69.6 | -33.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M300 V303 P304 P309 | M300-G306 WeakPolarHBondContact O-CA 3.36Å; V303-G306 PolarHBondContact O-N 2.8Å; P304-G306 PolarHBondContact O-N 3.06Å; P304-G306 VanDerWaalsContact O-N 3.11Å; G306-P309 WeakPolarHBondContact O-CD 3.31Å | ||
| 307 | I | 95.4 | Very high | 95.5 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -84.3 | -19.6 | -175.3 | 59.6 | 156.8 | 0 | 0 | 0 | 114.6 | F297 M300 D301 N305 M310 L311 R364 | F297-I307 HydrophobicContact CD2-CG2 4.2Å; F297-I307 HydrophobicContact CE2-CG2 4.28Å; M300-I307 HydrophobicContact CB-CG2 4.14Å; D301-I307 HydrophobicContact CB-CG2 4.32Å; N305-I307 VanDerWaalsContact C-N 3.35Å; I307-M310 WeakPolarHBondContact O-CA 3.38Å; I307-M310 WeakPolarHBondContact O-CB 3.47Å; I307-M310 PolarHBondContact O-N 3Å; I307-L311 HydrophobicContact CD1-CD1 4.26Å; I307-L311 PolarHBondContact O-N 3.38Å; I307-R364 VanDerWaalsContact CD1-CD 3.45Å |
| 308 | E | 95.7 | Very high | 95.5 | Very high | 112 Ų | 112 | 44.9 Ų | 44.9 | 52% | 0.523 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57 | -42.1 | -174.6 | -61.2 | -178.4 | 156.7 | 0 | 0 | 112.9 | N305 M310 L311 K312 | N305-E308 HydrophobicContact CB-CG 4.22Å; E308-M310 VanDerWaalsContact C-N 3.33Å; E308-M310 PolarHBondContact O-N 2.96Å; E308-L311 PolarHBondContact O-N 3.22Å; E308-K312 PolarHBondContact O-N 3.1Å; E308-K312 VanDerWaalsContact O-N 3.09Å |
| 309 | P | 95.8 | Very high | 95.5 | Very high | 44 Ų | 44 | 46 Ų | 46 | 29% | 0.286 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.4 | -34.2 | 175.9 | -24.1 | 39.7 | 0 | 0 | 0 | 112.5 | L278 G306 K312 D313 | L278-P309 HydrophobicContact CD1-CB 3.91Å; L278-P309 HydrophobicContact CD1-CG 3.73Å; L278-P309 HydrophobicContact CD2-CB 4.26Å; G306-P309 WeakPolarHBondContact O-CD 3.31Å; P309-K312 PolarHBondContact O-N 3.4Å; P309-D313 WeakPolarHBondContact O-CB 3.49Å; P309-D313 PolarHBondContact O-N 3.41Å |
| 310 | M | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 175.8 | -56.6 | -179.2 | 65.6 | 0 | 0 | 111.8 | L278 M296 F297 M300 I307 E308 K312 D313 L314 F359 F365 | L278-M310 HydrophobicContact CD2-CG 3.62Å; L278-M310 HydrophobicContact CD2-SD 4.45Å; M296-M310 HydrophobicContact CB-CE 4.1Å; M296-M310 HydrophobicContact CG-CE 3.78Å; M296-M310 HydrophobicContact CG-SD 3.98Å; M296-M310 HydrophobicContact SD-CE 3.92Å; M296-M310 HydrophobicContact SD-SD 4.32Å; F297-M310 HydrophobicContact CB-CE 4.09Å; M300-M310 HydrophobicContact CB-SD 3.77Å; M300-M310 HydrophobicContact CG-SD 3.73Å; I307-M310 WeakPolarHBondContact O-CA 3.38Å; I307-M310 WeakPolarHBondContact O-CB 3.47Å; I307-M310 PolarHBondContact O-N 3Å; E308-M310 VanDerWaalsContact C-N 3.33Å; E308-M310 PolarHBondContact O-N 2.96Å; M310-K312 VanDerWaalsContact C-N 3.34Å; M310-D313 PolarHBondContact O-N 3.43Å; M310-L314 WeakPolarHBondContact O-CB 3.41Å; M310-L314 PolarHBondContact O-N 2.99Å; M310-F359 HydrophobicContact CE-CE1 3.69Å; M310-F359 HydrophobicContact CE-CZ 4.41Å; M310-F365 HydrophobicContact CB-CE1 4.08Å; M310-F365 HydrophobicContact CB-CZ 4.02Å; M310-F365 HydrophobicContact CE-CZ 4.37Å |
| 311 | L | 97.5 | Very high | 95.3 | Very high | 32 Ų | 32 | 49.9 Ų | 49.9 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61 | -46.1 | 174.2 | -65.8 | 172.7 | 0 | 0 | 0 | 110.4 | I307 E308 L314 E315 R364 F365 A368 | I307-L311 HydrophobicContact CD1-CD1 4.26Å; I307-L311 PolarHBondContact O-N 3.38Å; E308-L311 PolarHBondContact O-N 3.22Å; L311-L314 PolarHBondContact O-N 2.88Å; L311-E315 WeakPolarHBondContact O-CG 3.41Å; L311-E315 PolarHBondContact O-N 2.79Å; L311-R364 HydrophobicContact CD1-CB 4.32Å; L311-R364 HydrophobicContact CD2-CB 4.06Å; L311-F365 HydrophobicContact CD2-CB 4.44Å; L311-F365 HydrophobicContact CD2-CD1 3.7Å; L311-F365 HydrophobicContact CD2-CD2 3.97Å; L311-F365 HydrophobicContact CD2-CE1 3.87Å; L311-F365 HydrophobicContact CD2-CE2 4.13Å; L311-F365 HydrophobicContact CD2-CG 3.78Å; L311-F365 HydrophobicContact CD2-CZ 4.09Å; L311-A368 HydrophobicContact CD2-CB 4.03Å |
| 312 | K | 96.6 | Very high | 95.2 | Very high | 123 Ų | 123 | 46.2 Ų | 46.2 | 54% | 0.535 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.9 | -45.9 | 177.5 | -174.1 | -177.9 | 170.6 | -171.1 | 0 | 112.1 | E308 P309 M310 L314 E315 E316 | E308-K312 PolarHBondContact O-N 3.1Å; E308-K312 VanDerWaalsContact O-N 3.09Å; P309-K312 PolarHBondContact O-N 3.4Å; M310-K312 VanDerWaalsContact C-N 3.34Å; K312-L314 VanDerWaalsContact C-N 3.32Å; K312-L314 PolarHBondContact O-N 3Å; K312-E315 PolarHBondContact O-N 2.75Å; K312-E316 WeakPolarHBondContact CE-OE1 3.35Å; K312-E316 IonicContact NZ-OE1 3.58Å; K312-E316 WeakPolarHBondContact O-CB 3.23Å; K312-E316 WeakPolarHBondContact O-CG 3.49Å; K312-E316 PolarHBondContact O-N 3.48Å |
| 313 | D | 96.6 | Very high | 95.1 | Very high | 28 Ų | 28 | 42.7 Ų | 42.7 | 15% | 0.15 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -37.8 | 178.5 | -76 | -8.6 | 0 | 0 | 0 | 111.9 | C281 Q282 I285 P309 M310 H317 | C281-D313 WeakPolarHBondContact CB-OD2 3.4Å; Q282-D313 PolarHBondContact N-OD2 2.79Å; I285-D313 HydrophobicContact CD1-CB 3.84Å; P309-D313 WeakPolarHBondContact O-CB 3.49Å; P309-D313 PolarHBondContact O-N 3.41Å; M310-D313 PolarHBondContact O-N 3.43Å; D313-H317 VanDerWaalsContact O-CB 3.27Å; D313-H317 WeakPolarHBondContact O-CB 3.32Å; D313-H317 PolarHBondContact O-N 3.46Å |
| 314 | L | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.7 | -46.8 | 173.3 | -179.1 | 67.2 | 0 | 0 | 0 | 111.3 | I285 M310 L311 K312 E316 H317 I318 L354 V355 F359 F365 | I285-L314 HydrophobicContact CD1-CB 4.15Å; I285-L314 HydrophobicContact CG2-CD1 4.31Å; M310-L314 WeakPolarHBondContact O-CB 3.41Å; M310-L314 PolarHBondContact O-N 2.99Å; L311-L314 PolarHBondContact O-N 2.88Å; K312-L314 VanDerWaalsContact C-N 3.32Å; K312-L314 PolarHBondContact O-N 3Å; L314-E316 PolarHBondContact O-N 2.99Å; L314-H317 PolarHBondContact O-N 3.33Å; L314-I318 HydrophobicContact CD1-CD1 3.89Å; L314-I318 HydrophobicContact CD1-CG1 4.14Å; L314-I318 HydrophobicContact CD2-CD1 4.31Å; L314-I318 HydrophobicContact CG-CD1 3.77Å; L314-I318 HydrophobicContact CG-CG1 4.36Å; L314-I318 WeakPolarHBondContact O-CB 3.2Å; L314-I318 VanDerWaalsContact O-CG1 3.27Å; L314-I318 WeakPolarHBondContact O-CG1 3.25Å; L314-I318 PolarHBondContact O-N 3.03Å; L314-L354 HydrophobicContact CD1-CD2 3.8Å; L314-L354 HydrophobicContact CD1-CG 4.47Å; L314-V355 HydrophobicContact CD2-CG2 3.84Å; L314-F359 HydrophobicContact CD2-CE2 4.19Å; L314-F365 HydrophobicContact CD2-CB 4.36Å; L314-F365 HydrophobicContact CD2-CD1 3.73Å |
| 315 | E | 97.2 | Very high | 95.1 | Very high | 39 Ų | 39 | 41.9 Ų | 41.9 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.7 | -49.4 | 177.5 | -73.7 | -176 | -167.8 | 0 | 0 | 111.2 | L311 K312 H317 I318 I319 A368 K371 A372 | L311-E315 WeakPolarHBondContact O-CG 3.41Å; L311-E315 PolarHBondContact O-N 2.79Å; K312-E315 PolarHBondContact O-N 2.75Å; E315-H317 PolarHBondContact O-N 3.12Å; E315-I318 PolarHBondContact O-N 3.24Å; E315-I319 VanDerWaalsContact O-CG1 3.3Å; E315-I319 WeakPolarHBondContact O-CG1 3.08Å; E315-I319 PolarHBondContact O-N 3.41Å; E315-A368 HydrophobicContact CG-CB 3.81Å; E315-K371 VanDerWaalsContact CD-NZ 3.33Å; E315-K371 WeakPolarHBondContact OE1-CD 3.37Å; E315-K371 IonicContact OE1-NZ 2.6Å; E315-K371 PolarHBondContact OE1-NZ 3.24Å; E315-K371 VanDerWaalsContact OE1-NZ 3.11Å; E315-K371 WeakPolarHBondContact OE2-CE 3.39Å; E315-K371 IonicContact OE2-NZ 2.7Å; E315-K371 PolarHBondContact OE2-NZ 2.9Å; E315-A372 HydrophobicContact CB-CB 4.25Å; E315-A372 HydrophobicContact CG-CB 4.35Å |
| 316 | E | 96.7 | Very high | 95 | Very high | 83 Ų | 83 | 37.3 Ų | 37.3 | 39% | 0.388 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.9 | -40.3 | 178.5 | -72.9 | -177.3 | -175.7 | 0 | 0 | 112 | K312 L314 S320 | K312-E316 WeakPolarHBondContact CE-OE1 3.35Å; K312-E316 IonicContact NZ-OE1 3.58Å; K312-E316 WeakPolarHBondContact O-CB 3.23Å; K312-E316 WeakPolarHBondContact O-CG 3.49Å; K312-E316 PolarHBondContact O-N 3.48Å; L314-E316 PolarHBondContact O-N 2.99Å; E316-S320 VanDerWaalsContact O-CB 3.23Å; E316-S320 WeakPolarHBondContact O-CB 3.32Å; E316-S320 PolarHBondContact O-N 3.42Å; E316-S320 PolarHBondContact O-OG 3Å |
| 317 | H | 97 | Very high | 94.7 | Very high | 26 Ų | 26 | 41.4 Ų | 41.4 | 12% | 0.12 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -47.7 | 175.6 | 176.6 | 65.9 | 0 | 0 | 0 | 112.1 | I285 D313 L314 E315 I319 S320 A321 F351 | I285-H317 HydrophobicContact CG2-CB 3.59Å; I285-H317 WeakPolarHBondContact CG2-CD2 3.47Å; I285-H317 VanDerWaalsContact CG2-CG 3.41Å; D313-H317 VanDerWaalsContact O-CB 3.27Å; D313-H317 WeakPolarHBondContact O-CB 3.32Å; D313-H317 PolarHBondContact O-N 3.46Å; L314-H317 PolarHBondContact O-N 3.33Å; E315-H317 PolarHBondContact O-N 3.12Å; H317-I319 VanDerWaalsContact C-N 3.32Å; H317-I319 PolarHBondContact O-N 3.35Å; H317-S320 WeakPolarHBondContact CA-OG 3.15Å; H317-S320 PolarHBondContact O-N 3.25Å; H317-S320 PolarHBondContact O-OG 3Å; H317-A321 WeakPolarHBondContact O-CB 3.46Å; H317-A321 PolarHBondContact O-N 3.43Å; H317-F351 AromaticContact CD2-CE1 3.84Å; H317-F351 AromaticContact NE2-CE1 3.76Å |
| 318 | I | 96.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 180 | -70.3 | 172.5 | 0 | 0 | 0 | 110.6 | L314 E315 G322 F351 R369 A372 | L314-I318 HydrophobicContact CD1-CD1 3.89Å; L314-I318 HydrophobicContact CD1-CG1 4.14Å; L314-I318 HydrophobicContact CD2-CD1 4.31Å; L314-I318 HydrophobicContact CG-CD1 3.77Å; L314-I318 HydrophobicContact CG-CG1 4.36Å; L314-I318 WeakPolarHBondContact O-CB 3.2Å; L314-I318 VanDerWaalsContact O-CG1 3.27Å; L314-I318 WeakPolarHBondContact O-CG1 3.25Å; L314-I318 PolarHBondContact O-N 3.03Å; E315-I318 PolarHBondContact O-N 3.24Å; I318-G322 WeakPolarHBondContact O-CA 3.42Å; I318-G322 PolarHBondContact O-N 2.96Å; I318-F351 HydrophobicContact CB-CD2 4.31Å; I318-F351 HydrophobicContact CB-CE1 4.49Å; I318-F351 HydrophobicContact CB-CE2 4.24Å; I318-F351 HydrophobicContact CB-CG 4.46Å; I318-F351 HydrophobicContact CB-CZ 4.31Å; I318-F351 HydrophobicContact CD1-CB 4.12Å; I318-F351 HydrophobicContact CD1-CD1 4.49Å; I318-F351 HydrophobicContact CD1-CG 4.24Å; I318-F351 HydrophobicContact CG1-CB 4.14Å; I318-F351 HydrophobicContact CG1-CD1 3.67Å; I318-F351 HydrophobicContact CG1-CD2 4.06Å; I318-F351 HydrophobicContact CG1-CE1 3.97Å; I318-F351 HydrophobicContact CG1-CE2 4.32Å; I318-F351 HydrophobicContact CG1-CG 3.71Å; I318-F351 HydrophobicContact CG1-CZ 4.27Å; I318-F351 HydrophobicContact CG2-CD2 3.74Å; I318-F351 HydrophobicContact CG2-CE2 3.81Å; I318-F351 HydrophobicContact CG2-CG 4.26Å; I318-F351 HydrophobicContact CG2-CZ 4.37Å; I318-R369 HydrophobicContact CD1-CB 3.99Å; I318-R369 HydrophobicContact CD1-CG 4.01Å; I318-A372 HydrophobicContact CB-CB 3.65Å; I318-A372 HydrophobicContact CD1-CB 4.23Å; I318-A372 HydrophobicContact CG2-CB 3.48Å; I318-A372 VanDerWaalsContact CG2-CB 3.48Å |
| 319 | I | 95.4 | Very high | 94 | Very high | 56 Ų | 56 | 40.5 Ų | 40.5 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65 | -53.8 | 178 | -66.6 | 168.4 | 0 | 0 | 0 | 110.3 | E315 H317 G322 L323 A372 A375 | E315-I319 VanDerWaalsContact O-CG1 3.3Å; E315-I319 WeakPolarHBondContact O-CG1 3.08Å; E315-I319 PolarHBondContact O-N 3.41Å; H317-I319 VanDerWaalsContact C-N 3.32Å; H317-I319 PolarHBondContact O-N 3.35Å; I319-G322 PolarHBondContact O-N 2.91Å; I319-L323 HydrophobicContact CG2-CD1 3.85Å; I319-L323 HydrophobicContact CG2-CG 4.43Å; I319-L323 WeakPolarHBondContact O-CB 3.42Å; I319-L323 VanDerWaalsContact O-CG 3.25Å; I319-L323 WeakPolarHBondContact O-CG 3.49Å; I319-L323 PolarHBondContact O-N 2.89Å; I319-A372 HydrophobicContact CD1-CB 4.41Å; I319-A372 HydrophobicContact CG1-CB 3.99Å; I319-A375 HydrophobicContact CD1-CB 3.9Å; I319-A375 HydrophobicContact CG1-CB 4.01Å |
| 320 | S | 94.8 | Very high | 93.4 | Very high | 63 Ų | 63 | 39.7 Ų | 39.7 | 44% | 0.441 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.5 | -47.9 | -175.1 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | E316 H317 A324 | E316-S320 VanDerWaalsContact O-CB 3.23Å; E316-S320 WeakPolarHBondContact O-CB 3.32Å; E316-S320 PolarHBondContact O-N 3.42Å; E316-S320 PolarHBondContact O-OG 3Å; H317-S320 WeakPolarHBondContact CA-OG 3.15Å; H317-S320 PolarHBondContact O-N 3.25Å; H317-S320 PolarHBondContact O-OG 3Å; S320-A324 VanDerWaalsContact O-CB 3.31Å; S320-A324 WeakPolarHBondContact O-CB 3.43Å; S320-A324 PolarHBondContact O-N 3.09Å |
| 321 | A | 94.4 | Very high | 92.6 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.4 | -37.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H317 A324 D325 F351 | H317-A321 WeakPolarHBondContact O-CB 3.46Å; H317-A321 PolarHBondContact O-N 3.43Å; A321-A324 PolarHBondContact O-N 2.88Å; A321-D325 WeakPolarHBondContact O-CB 3.29Å; A321-D325 VanDerWaalsContact O-CG 3.24Å; A321-D325 PolarHBondContact O-N 3.25Å; A321-F351 HydrophobicContact CB-CZ 4.08Å |
| 322 | G | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I318 I319 D325 M326 | I318-G322 WeakPolarHBondContact O-CA 3.42Å; I318-G322 PolarHBondContact O-N 2.96Å; I319-G322 PolarHBondContact O-N 2.91Å; G322-D325 PolarHBondContact O-N 3.32Å; G322-M326 WeakPolarHBondContact O-CG 3.31Å; G322-M326 PolarHBondContact O-N 2.96Å; G322-M326 VanDerWaalsContact O-N 3.08Å |
| 323 | L | 92.1 | Very high | 91.3 | Very high | 36 Ų | 36 | 43.9 Ų | 43.9 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 176.2 | -67.4 | 177.1 | 0 | 0 | 0 | 112.2 | I319 D325 M326 V327 V376 D379 I382 | I319-L323 HydrophobicContact CG2-CD1 3.85Å; I319-L323 HydrophobicContact CG2-CG 4.43Å; I319-L323 WeakPolarHBondContact O-CB 3.42Å; I319-L323 VanDerWaalsContact O-CG 3.25Å; I319-L323 WeakPolarHBondContact O-CG 3.49Å; I319-L323 PolarHBondContact O-N 2.89Å; L323-D325 VanDerWaalsContact C-N 3.35Å; L323-D325 PolarHBondContact O-N 3.23Å; L323-M326 PolarHBondContact O-N 3.37Å; L323-V327 WeakPolarHBondContact O-CB 3.44Å; L323-V327 VanDerWaalsContact O-CG2 3.3Å; L323-V327 WeakPolarHBondContact O-CG2 3.41Å; L323-V327 PolarHBondContact O-N 3.23Å; L323-V376 HydrophobicContact CD2-CG1 4.43Å; L323-D379 HydrophobicContact CD2-CB 3.54Å; L323-D379 VanDerWaalsContact CD2-CG 3.44Å; L323-I382 HydrophobicContact CD2-CD1 4.26Å |
| 324 | A | 92.2 | Very high | 90.1 | Very high | 55 Ų | 55 | 46 Ų | 46 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S320 A321 V327 A328 | S320-A324 VanDerWaalsContact O-CB 3.31Å; S320-A324 WeakPolarHBondContact O-CB 3.43Å; S320-A324 PolarHBondContact O-N 3.09Å; A321-A324 PolarHBondContact O-N 2.88Å; A324-V327 PolarHBondContact O-N 3.23Å; A324-A328 WeakPolarHBondContact O-CB 3.43Å; A324-A328 PolarHBondContact O-N 3Å |
| 325 | D | 91 | Very high | 89.1 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 177.3 | -72.2 | -11 | 0 | 0 | 0 | 112.1 | A321 G322 L323 A328 A329 L347 R350 | A321-D325 WeakPolarHBondContact O-CB 3.29Å; A321-D325 VanDerWaalsContact O-CG 3.24Å; A321-D325 PolarHBondContact O-N 3.25Å; G322-D325 PolarHBondContact O-N 3.32Å; L323-D325 VanDerWaalsContact C-N 3.35Å; L323-D325 PolarHBondContact O-N 3.23Å; D325-A328 PolarHBondContact O-N 2.94Å; D325-A329 WeakPolarHBondContact O-CB 3.48Å; D325-A329 PolarHBondContact O-N 3.41Å; D325-L347 HydrophobicContact CB-CD2 3.99Å; D325-L347 WeakPolarHBondContact OD2-CD2 3.4Å; D325-R350 IonicContact OD2-CZ 3.87Å; D325-R350 IonicContact OD2-NH1 3.02Å; D325-R350 PolarHBondContact OD2-NH1 3.41Å; D325-R350 IonicContact OD2-NH2 2.86Å; D325-R350 PolarHBondContact OD2-NH2 2.84Å |
| 326 | M | 89 | Confident | 88.6 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.025 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 176.3 | -65.7 | -87 | 74.8 | 0 | 0 | 111.9 | G322 L323 A329 A330 I333 Y340 Q343 L344 L347 V376 I382 | G322-M326 WeakPolarHBondContact O-CG 3.31Å; G322-M326 PolarHBondContact O-N 2.96Å; G322-M326 VanDerWaalsContact O-N 3.08Å; L323-M326 PolarHBondContact O-N 3.37Å; M326-A329 PolarHBondContact O-N 3.02Å; M326-A330 PolarHBondContact O-N 3Å; M326-I333 HydrophobicContact CE-CD1 3.87Å; M326-I333 WeakPolarHBondContact O-CD1 3.4Å; M326-Y340 HydrophobicContact SD-CE2 4.46Å; M326-Q343 HydrophobicContact CE-CB 3.55Å; M326-Q343 HydrophobicContact CE-CG 3.01Å; M326-L344 HydrophobicContact CE-CD2 4.49Å; M326-L344 HydrophobicContact SD-CD2 3.53Å; M326-L344 VanDerWaalsContact SD-CD2 3.53Å; M326-L344 HydrophobicContact SD-CG 4.07Å; M326-L347 HydrophobicContact CE-CD1 4.19Å; M326-L347 HydrophobicContact CG-CD1 3.95Å; M326-L347 HydrophobicContact SD-CD1 4.22Å; M326-V376 HydrophobicContact CG-CG1 4.31Å; M326-I382 HydrophobicContact CB-CD1 3.1Å; M326-I382 HydrophobicContact CG-CD1 4.11Å |
| 327 | V | 87.4 | Confident | 88.1 | Confident | 87 Ų | 87 | 48.9 Ų | 48.9 | 53% | 0.527 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 175.5 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | L323 A324 A329 A330 I382 | L323-V327 WeakPolarHBondContact O-CB 3.44Å; L323-V327 VanDerWaalsContact O-CG2 3.3Å; L323-V327 WeakPolarHBondContact O-CG2 3.41Å; L323-V327 PolarHBondContact O-N 3.23Å; A324-V327 PolarHBondContact O-N 3.23Å; V327-A329 PolarHBondContact O-N 3.09Å; V327-A330 WeakPolarHBondContact O-CB 3.36Å; V327-A330 PolarHBondContact O-N 3.46Å; V327-A330 VanDerWaalsContact O-N 3.13Å; V327-I382 HydrophobicContact CG2-CD1 3.75Å; V327-I382 HydrophobicContact CG2-CG1 3.85Å |
| 328 | A | 88.5 | Confident | 87.8 | Confident | 87 Ų | 87 | 49.3 Ų | 49.3 | 72% | 0.719 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.7 | -32.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | A324 D325 | A324-A328 WeakPolarHBondContact O-CB 3.43Å; A324-A328 PolarHBondContact O-N 3Å; D325-A328 PolarHBondContact O-N 2.94Å |
| 329 | A | 87.2 | Confident | 87.5 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 19% | 0.19 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 0.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D325 M326 V327 E331 T332 I333 Q343 | D325-A329 WeakPolarHBondContact O-CB 3.48Å; D325-A329 PolarHBondContact O-N 3.41Å; M326-A329 PolarHBondContact O-N 3.02Å; V327-A329 PolarHBondContact O-N 3.09Å; A329-E331 PolarHBondContact O-N 3.29Å; A329-T332 PolarHBondContact O-N 3.09Å; A329-I333 HydrophobicContact CB-CD1 4.1Å; A329-I333 HydrophobicContact CB-CG2 4.02Å; A329-I333 WeakPolarHBondContact O-CG1 3.49Å; A329-I333 PolarHBondContact O-N 3.33Å; A329-Q343 HydrophobicContact CB-CG 4.47Å |
| 330 | A | 83.8 | Confident | 87.3 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.2 | -43.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M326 V327 T332 I333 T334 | M326-A330 PolarHBondContact O-N 3Å; V327-A330 WeakPolarHBondContact O-CB 3.36Å; V327-A330 PolarHBondContact O-N 3.46Å; V327-A330 VanDerWaalsContact O-N 3.13Å; A330-T332 PolarHBondContact O-N 2.87Å; A330-T332 VanDerWaalsContact O-N 3.11Å; A330-I333 PolarHBondContact O-N 3.24Å; A330-T334 VanDerWaalsContact O-CB 3.25Å; A330-T334 WeakPolarHBondContact O-CB 3.3Å; A330-T334 WeakPolarHBondContact O-CG2 3.39Å; A330-T334 PolarHBondContact O-N 3.35Å; A330-T334 PolarHBondContact O-OG1 3.39Å |
| 331 | E | 80.6 | Confident | 87.1 | Confident | 178 Ų | 178 | 48.6 Ų | 48.6 | 83% | 0.832 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -55.9 | -33.5 | -179.4 | -66.2 | -172.7 | 167.8 | 0 | 0 | 113 | A329 T334 | A329-E331 PolarHBondContact O-N 3.29Å; E331-T334 PolarHBondContact O-OG1 3.49Å |
| 332 | T | 83.3 | Confident | 87 | Confident | 62 Ų | 62 | 51.3 Ų | 51.3 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -91.2 | -49.2 | -177 | -65.4 | 0 | 0 | 0 | 0 | 111.3 | A329 A330 T334 T335 D336 K339 | A329-T332 PolarHBondContact O-N 3.09Å; A330-T332 PolarHBondContact O-N 2.87Å; A330-T332 VanDerWaalsContact O-N 3.11Å; T332-T334 VanDerWaalsContact C-N 3.26Å; T332-T334 PolarHBondContact O-N 3.49Å; T332-T335 PolarHBondContact O-N 2.95Å; T332-T335 PolarHBondContact O-OG1 3.5Å; T332-D336 PolarHBondContact O-N 2.78Å; T332-K339 HydrophobicContact CG2-CB 4.23Å; T332-K339 HydrophobicContact CG2-CD 3.12Å; T332-K339 HydrophobicContact CG2-CG 4.32Å |
| 333 | I | 82.4 | Confident | 87 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.1 | -15.3 | -172.9 | 71.2 | -174.9 | 0 | 0 | 0 | 113 | M326 A329 A330 T335 K339 Y340 F383 | M326-I333 HydrophobicContact CE-CD1 3.87Å; M326-I333 WeakPolarHBondContact O-CD1 3.4Å; A329-I333 HydrophobicContact CB-CD1 4.1Å; A329-I333 HydrophobicContact CB-CG2 4.02Å; A329-I333 WeakPolarHBondContact O-CG1 3.49Å; A329-I333 PolarHBondContact O-N 3.33Å; A330-I333 PolarHBondContact O-N 3.24Å; I333-T335 VanDerWaalsContact C-N 3.28Å; I333-T335 PolarHBondContact O-N 3.46Å; I333-K339 HydrophobicContact CG2-CB 4.19Å; I333-Y340 HydrophobicContact CB-CD2 3.98Å; I333-Y340 HydrophobicContact CB-CG 4.45Å; I333-Y340 HydrophobicContact CD1-CD2 3.87Å; I333-Y340 HydrophobicContact CD1-CE2 4.36Å; I333-Y340 HydrophobicContact CG1-CD2 3.98Å; I333-F383 HydrophobicContact CD1-CE2 3.87Å; I333-F383 HydrophobicContact CD1-CZ 4.37Å; I333-F383 HydrophobicContact CG1-CE2 3.78Å; I333-F383 HydrophobicContact CG1-CZ 3.77Å |
| 334 | T | 72.8 | Confident | 87.1 | Confident | 72 Ų | 72 | 52 Ų | 52 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -26.4 | 174.3 | 48.3 | 0 | 0 | 0 | 0 | 113.5 | A330 E331 T332 F383 | A330-T334 VanDerWaalsContact O-CB 3.25Å; A330-T334 WeakPolarHBondContact O-CB 3.3Å; A330-T334 WeakPolarHBondContact O-CG2 3.39Å; A330-T334 PolarHBondContact O-N 3.35Å; A330-T334 PolarHBondContact O-OG1 3.39Å; E331-T334 PolarHBondContact O-OG1 3.49Å; T332-T334 VanDerWaalsContact C-N 3.26Å; T332-T334 PolarHBondContact O-N 3.49Å; T334-F383 HydrophobicContact CG2-CD1 4.49Å; T334-F383 HydrophobicContact CG2-CE1 3.3Å; T334-F383 HydrophobicContact CG2-CZ 3.41Å; T334-F383 VanDerWaalsContact CG2-CZ 3.41Å |
| 335 | T | 76.3 | Confident | 87.2 | Confident | 124 Ų | 124 | 50 Ų | 50 | 76% | 0.761 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | -12.8 | -175.6 | 60.7 | 0 | 0 | 0 | 0 | 113 | T332 I333 | T332-T335 PolarHBondContact O-N 2.95Å; T332-T335 PolarHBondContact O-OG1 3.5Å; I333-T335 VanDerWaalsContact C-N 3.28Å; I333-T335 PolarHBondContact O-N 3.46Å |
| 336 | D | 85.4 | Confident | 87.4 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | trans | -131.4 | 105.1 | -171.9 | -166.3 | -20.4 | 0 | 0 | 0 | 111.2 | T332 E338 K339 Y340 | T332-D336 PolarHBondContact O-N 2.78Å; D336-E338 VanDerWaalsContact C-N 3.26Å; D336-E338 PolarHBondContact O-N 3.17Å; D336-E338 WeakPolarHBondContact OD1-CB 3.5Å; D336-E338 PolarHBondContact OD1-N 2.94Å; D336-K339 HydrophobicContact CB-CB 4.22Å; D336-K339 HydrophobicContact CB-CD 4.17Å; D336-K339 HydrophobicContact CB-CG 4.24Å; D336-K339 PolarHBondContact O-N 3.13Å; D336-K339 WeakPolarHBondContact OD2-CD 3.32Å; D336-K339 WeakPolarHBondContact OD2-CE 3.4Å; D336-K339 WeakPolarHBondContact OD2-CG 3.24Å; D336-Y340 PolarHBondContact O-N 3.24Å; D336-Y340 VanDerWaalsContact O-N 3.13Å | ||
| 337 | S | 86.9 | Confident | 87.7 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -28.3 | 179.3 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | V341 | S337-V341 WeakPolarHBondContact O-CG2 3.41Å; S337-V341 PolarHBondContact O-N 3.21Å |
| 338 | E | 89.6 | Confident | 88.1 | Confident | 35 Ų | 35 | 48.3 Ų | 48.3 | 16% | 0.164 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.1 | -54.4 | 176.9 | 172.8 | 161.6 | -138.2 | 0 | 0 | 110.2 | D336 Y340 V341 E342 Y411 | D336-E338 VanDerWaalsContact C-N 3.26Å; D336-E338 PolarHBondContact O-N 3.17Å; D336-E338 WeakPolarHBondContact OD1-CB 3.5Å; D336-E338 PolarHBondContact OD1-N 2.94Å; E338-Y340 VanDerWaalsContact C-N 3.26Å; E338-Y340 PolarHBondContact O-N 3.36Å; E338-V341 PolarHBondContact O-N 3.4Å; E338-V341 VanDerWaalsContact O-N 3.1Å; E338-E342 HydrophobicContact CG-CG 4.48Å; E338-E342 WeakPolarHBondContact O-CG 2.96Å; E338-E342 PolarHBondContact O-N 3.04Å; E338-Y411 HydrophobicContact CB-CD2 3.73Å; E338-Y411 HydrophobicContact CB-CE2 3.4Å; E338-Y411 HydrophobicContact CG-CD2 4.31Å; E338-Y411 HydrophobicContact CG-CE2 3.48Å; E338-Y411 VanDerWaalsContact CG-CE2 3.48Å; E338-Y411 PolarHBondContact OE1-OH 3.47Å |
| 339 | K | 90.9 | Very high | 88.5 | Confident | 97 Ų | 97 | 48.7 Ų | 48.7 | 42% | 0.422 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.8 | -32.6 | -179.1 | -64.2 | -177.6 | -176.5 | 178.7 | 0 | 112.9 | T332 I333 D336 Q343 | T332-K339 HydrophobicContact CG2-CB 4.23Å; T332-K339 HydrophobicContact CG2-CD 3.12Å; T332-K339 HydrophobicContact CG2-CG 4.32Å; I333-K339 HydrophobicContact CG2-CB 4.19Å; D336-K339 HydrophobicContact CB-CB 4.22Å; D336-K339 HydrophobicContact CB-CD 4.17Å; D336-K339 HydrophobicContact CB-CG 4.24Å; D336-K339 PolarHBondContact O-N 3.13Å; D336-K339 WeakPolarHBondContact OD2-CD 3.32Å; D336-K339 WeakPolarHBondContact OD2-CE 3.4Å; D336-K339 WeakPolarHBondContact OD2-CG 3.24Å; K339-Q343 WeakPolarHBondContact O-CB 3.14Å; K339-Q343 PolarHBondContact O-N 3.39Å |
| 340 | Y | 90.4 | Very high | 88.9 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.1 | -49 | 172.9 | -179.4 | -97.1 | 0 | 0 | 0 | 111.9 | M326 I333 D336 E338 Q343 L344 F383 C404 L407 | M326-Y340 HydrophobicContact SD-CE2 4.46Å; I333-Y340 HydrophobicContact CB-CD2 3.98Å; I333-Y340 HydrophobicContact CB-CG 4.45Å; I333-Y340 HydrophobicContact CD1-CD2 3.87Å; I333-Y340 HydrophobicContact CD1-CE2 4.36Å; I333-Y340 HydrophobicContact CG1-CD2 3.98Å; D336-Y340 PolarHBondContact O-N 3.24Å; D336-Y340 VanDerWaalsContact O-N 3.13Å; E338-Y340 VanDerWaalsContact C-N 3.26Å; E338-Y340 PolarHBondContact O-N 3.36Å; Y340-Q343 PolarHBondContact O-N 2.93Å; Y340-L344 HydrophobicContact CD1-CD1 4.13Å; Y340-L344 HydrophobicContact CE1-CD1 3.49Å; Y340-L344 VanDerWaalsContact CE1-CD1 3.49Å; Y340-L344 HydrophobicContact CE1-CG 4.39Å; Y340-L344 PolarHBondContact O-N 3.48Å; Y340-F383 HydrophobicContact CD2-CD2 4.16Å; Y340-F383 AromaticContact CD2-CE2 3.7Å; Y340-F383 HydrophobicContact CD2-CE2 3.7Å; Y340-F383 HydrophobicContact CD2-CZ 4.35Å; Y340-F383 AromaticContact CE2-CD2 3.51Å; Y340-F383 HydrophobicContact CE2-CD2 3.51Å; Y340-F383 AromaticContact CE2-CE2 3.49Å; Y340-F383 HydrophobicContact CE2-CE2 3.49Å; Y340-F383 VanDerWaalsContact CE2-CE2 3.49Å; Y340-F383 HydrophobicContact CE2-CZ 4.49Å; Y340-C404 HydrophobicContact CE1-CB 4.22Å; Y340-C404 WeakPolarHBondContact OH-CB 3.4Å; Y340-L407 HydrophobicContact CD1-CB 3.79Å; Y340-L407 HydrophobicContact CD1-CD1 3.58Å; Y340-L407 HydrophobicContact CD1-CG 4.32Å; Y340-L407 HydrophobicContact CD2-CD1 3.78Å; Y340-L407 HydrophobicContact CE1-CB 4.06Å; Y340-L407 HydrophobicContact CE1-CD1 3.64Å; Y340-L407 HydrophobicContact CE1-CG 4.5Å; Y340-L407 HydrophobicContact CE2-CD1 3.88Å; Y340-L407 HydrophobicContact CG-CB 4.47Å; Y340-L407 HydrophobicContact CG-CD1 3.65Å |
| 341 | V | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.7 | -41.8 | -179.3 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | S337 E338 Q343 L344 L345 L408 Y411 V437 | S337-V341 WeakPolarHBondContact O-CG2 3.41Å; S337-V341 PolarHBondContact O-N 3.21Å; E338-V341 PolarHBondContact O-N 3.4Å; E338-V341 VanDerWaalsContact O-N 3.1Å; V341-Q343 VanDerWaalsContact C-N 3.27Å; V341-Q343 PolarHBondContact O-N 3.01Å; V341-L344 PolarHBondContact O-N 2.94Å; V341-L344 VanDerWaalsContact O-N 3.15Å; V341-L345 HydrophobicContact CG1-CD1 3.91Å; V341-L345 HydrophobicContact CG1-CG 4.32Å; V341-L345 WeakPolarHBondContact O-CG 3.35Å; V341-L345 PolarHBondContact O-N 2.98Å; V341-L408 HydrophobicContact CG1-CD2 4.22Å; V341-L408 HydrophobicContact CG2-CD2 3.65Å; V341-Y411 HydrophobicContact CB-CD1 3.93Å; V341-Y411 HydrophobicContact CB-CE1 4.32Å; V341-Y411 HydrophobicContact CG1-CD1 4.01Å; V341-Y411 HydrophobicContact CG1-CE1 4.24Å; V341-Y411 HydrophobicContact CG2-CD1 3.97Å; V341-Y411 HydrophobicContact CG2-CG 4.33Å; V341-V437 HydrophobicContact CG1-CG2 4.24Å |
| 342 | E | 92.6 | Very high | 90.3 | Very high | 77 Ų | 77 | 43.8 Ų | 43.8 | 36% | 0.36 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.8 | -38.5 | 176.1 | -72.3 | -177.1 | 161.8 | 0 | 0 | 112.4 | E338 L345 T346 K433 | E338-E342 HydrophobicContact CG-CG 4.48Å; E338-E342 WeakPolarHBondContact O-CG 2.96Å; E338-E342 PolarHBondContact O-N 3.04Å; E342-L345 PolarHBondContact O-N 3.48Å; E342-T346 WeakPolarHBondContact O-CB 3.47Å; E342-T346 PolarHBondContact O-N 3.43Å; E342-T346 PolarHBondContact O-OG1 3.41Å; E342-K433 IonicContact OE1-NZ 3.6Å |
| 343 | Q | 93.1 | Very high | 90.9 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.3 | -40.7 | 176.5 | -172.6 | 67 | 26.7 | 0 | 0 | 111.7 | M326 A329 K339 Y340 V341 L345 T346 L347 | M326-Q343 HydrophobicContact CE-CB 3.55Å; M326-Q343 HydrophobicContact CE-CG 3.01Å; A329-Q343 HydrophobicContact CB-CG 4.47Å; K339-Q343 WeakPolarHBondContact O-CB 3.14Å; K339-Q343 PolarHBondContact O-N 3.39Å; Y340-Q343 PolarHBondContact O-N 2.93Å; V341-Q343 VanDerWaalsContact C-N 3.27Å; V341-Q343 PolarHBondContact O-N 3.01Å; Q343-L345 VanDerWaalsContact C-N 3.34Å; Q343-L345 PolarHBondContact O-N 2.92Å; Q343-T346 PolarHBondContact O-N 3.4Å; Q343-L347 WeakPolarHBondContact O-CG 3.45Å; Q343-L347 PolarHBondContact O-N 2.79Å |
| 344 | L | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -38.4 | 173.7 | -75.9 | 177.6 | 0 | 0 | 0 | 112.5 | M326 Y340 V341 L347 F348 Y373 V377 V440 | M326-L344 HydrophobicContact CE-CD2 4.49Å; M326-L344 HydrophobicContact SD-CD2 3.53Å; M326-L344 VanDerWaalsContact SD-CD2 3.53Å; M326-L344 HydrophobicContact SD-CG 4.07Å; Y340-L344 HydrophobicContact CD1-CD1 4.13Å; Y340-L344 HydrophobicContact CE1-CD1 3.49Å; Y340-L344 VanDerWaalsContact CE1-CD1 3.49Å; Y340-L344 HydrophobicContact CE1-CG 4.39Å; Y340-L344 PolarHBondContact O-N 3.48Å; V341-L344 PolarHBondContact O-N 2.94Å; V341-L344 VanDerWaalsContact O-N 3.15Å; L344-L347 HydrophobicContact CD2-CD1 4.49Å; L344-L347 PolarHBondContact O-N 2.97Å; L344-F348 PolarHBondContact O-N 3.48Å; L344-Y373 WeakPolarHBondContact O-CE2 3.28Å; L344-Y373 PolarHBondContact O-OH 2.79Å; L344-V377 HydrophobicContact CD2-CG2 4.23Å; L344-V440 HydrophobicContact CD1-CG1 3.96Å |
| 345 | L | 94.8 | Very high | 92.8 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 7% | 0.068 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.9 | -40.9 | 175.5 | -70.5 | 167.5 | 0 | 0 | 0 | 111.6 | V341 E342 Q343 L347 F348 N349 E436 V440 | V341-L345 HydrophobicContact CG1-CD1 3.91Å; V341-L345 HydrophobicContact CG1-CG 4.32Å; V341-L345 WeakPolarHBondContact O-CG 3.35Å; V341-L345 PolarHBondContact O-N 2.98Å; E342-L345 PolarHBondContact O-N 3.48Å; Q343-L345 VanDerWaalsContact C-N 3.34Å; Q343-L345 PolarHBondContact O-N 2.92Å; L345-L347 VanDerWaalsContact C-N 3.32Å; L345-L347 PolarHBondContact O-N 3.32Å; L345-F348 WeakPolarHBondContact O-CB 3.3Å; L345-F348 PolarHBondContact O-N 3.32Å; L345-N349 WeakPolarHBondContact O-CB 3.39Å; L345-N349 PolarHBondContact O-N 2.69Å; L345-N349 PolarHBondContact O-ND2 3.02Å; L345-E436 HydrophobicContact CD1-CB 3.72Å; L345-E436 HydrophobicContact CD1-CG 4.45Å; L345-E436 HydrophobicContact CD2-CB 3.85Å; L345-E436 HydrophobicContact CG-CB 4.45Å; L345-V440 HydrophobicContact CD2-CG2 3.67Å; L345-V440 HydrophobicContact CG-CG2 4.11Å |
| 346 | T | 95.5 | Very high | 93.8 | Very high | 78 Ų | 78 | 43.6 Ų | 43.6 | 48% | 0.479 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 175 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | E342 Q343 N349 R350 | E342-T346 WeakPolarHBondContact O-CB 3.47Å; E342-T346 PolarHBondContact O-N 3.43Å; E342-T346 PolarHBondContact O-OG1 3.41Å; Q343-T346 PolarHBondContact O-N 3.4Å; T346-N349 PolarHBondContact O-N 3.19Å; T346-R350 WeakPolarHBondContact O-CB 3.36Å; T346-R350 PolarHBondContact O-N 2.93Å |
| 347 | L | 94.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 173.9 | -71.3 | 174.9 | 0 | 0 | 0 | 111.8 | D325 M326 Q343 L344 L345 N349 R350 F351 Y373 V376 | D325-L347 HydrophobicContact CB-CD2 3.99Å; D325-L347 WeakPolarHBondContact OD2-CD2 3.4Å; M326-L347 HydrophobicContact CE-CD1 4.19Å; M326-L347 HydrophobicContact CG-CD1 3.95Å; M326-L347 HydrophobicContact SD-CD1 4.22Å; Q343-L347 WeakPolarHBondContact O-CG 3.45Å; Q343-L347 PolarHBondContact O-N 2.79Å; L344-L347 HydrophobicContact CD2-CD1 4.49Å; L344-L347 PolarHBondContact O-N 2.97Å; L345-L347 VanDerWaalsContact C-N 3.32Å; L345-L347 PolarHBondContact O-N 3.32Å; L347-N349 PolarHBondContact O-N 3.48Å; L347-R350 PolarHBondContact O-N 3Å; L347-F351 HydrophobicContact CB-CE2 4.41Å; L347-F351 HydrophobicContact CD2-CE2 4.08Å; L347-F351 WeakPolarHBondContact O-CD2 3.39Å; L347-F351 PolarHBondContact O-N 2.81Å; L347-F351 VanDerWaalsContact O-N 3.07Å; L347-Y373 HydrophobicContact CB-CE2 4.33Å; L347-V376 HydrophobicContact CD1-CG1 4.4Å |
| 348 | F | 96.1 | Very high | 94.8 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 9% | 0.088 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.8 | -47.5 | 178.9 | -175.7 | -96.3 | 0 | 0 | 0 | 112 | L344 L345 S352 Y373 L439 Y443 | L344-F348 PolarHBondContact O-N 3.48Å; L345-F348 WeakPolarHBondContact O-CB 3.3Å; L345-F348 PolarHBondContact O-N 3.32Å; F348-S352 VanDerWaalsContact O-CB 3.24Å; F348-S352 WeakPolarHBondContact O-CB 3.24Å; F348-S352 PolarHBondContact O-N 3.45Å; F348-S352 PolarHBondContact O-OG 2.84Å; F348-Y373 HydrophobicContact CB-CD2 4.3Å; F348-Y373 HydrophobicContact CB-CE1 4.44Å; F348-Y373 HydrophobicContact CB-CE2 3.64Å; F348-Y373 AromaticContact CD2-CD1 3.89Å; F348-Y373 HydrophobicContact CD2-CD1 3.89Å; F348-Y373 HydrophobicContact CD2-CD2 4.16Å; F348-Y373 AromaticContact CD2-CE1 3.85Å; F348-Y373 HydrophobicContact CD2-CE1 3.85Å; F348-Y373 HydrophobicContact CD2-CE2 4.13Å; F348-Y373 HydrophobicContact CD2-CG 4.05Å; F348-Y373 AromaticContact CD2-CZ 3.97Å; F348-Y373 HydrophobicContact CG-CE2 4.4Å; F348-L439 HydrophobicContact CD1-CD2 3.86Å; F348-L439 HydrophobicContact CE1-CD2 3.73Å; F348-L439 HydrophobicContact CZ-CD1 4.32Å; F348-L439 HydrophobicContact CZ-CD2 4.31Å; F348-Y443 HydrophobicContact CD2-CE2 4.38Å; F348-Y443 AromaticContact CE2-CE2 3.94Å; F348-Y443 HydrophobicContact CE2-CE2 3.94Å; F348-Y443 AromaticContact CE2-CZ 3.87Å; F348-Y443 WeakPolarHBondContact CE2-OH 3.33Å |
| 349 | N | 96.2 | Very high | 95.1 | Very high | 95 Ų | 95 | 43.2 Ų | 43.2 | 51% | 0.508 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.6 | -42.5 | -179.4 | -72.2 | -26.7 | 0 | 0 | 0 | 111.7 | L345 T346 L347 S352 K353 | L345-N349 WeakPolarHBondContact O-CB 3.39Å; L345-N349 PolarHBondContact O-N 2.69Å; L345-N349 PolarHBondContact O-ND2 3.02Å; T346-N349 PolarHBondContact O-N 3.19Å; L347-N349 PolarHBondContact O-N 3.48Å; N349-S352 PolarHBondContact O-N 3.02Å; N349-K353 WeakPolarHBondContact O-CB 3.44Å; N349-K353 PolarHBondContact O-N 3.08Å |
| 350 | R | 96 | Very high | 95.3 | Very high | 99 Ų | 99 | 45 Ų | 45 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.8 | -50.8 | 177 | -177.6 | 178.4 | 70.9 | -167.4 | -1.6 | 111.7 | D325 T346 L347 K353 L354 | D325-R350 IonicContact OD2-CZ 3.87Å; D325-R350 IonicContact OD2-NH1 3.02Å; D325-R350 PolarHBondContact OD2-NH1 3.41Å; D325-R350 IonicContact OD2-NH2 2.86Å; D325-R350 PolarHBondContact OD2-NH2 2.84Å; T346-R350 WeakPolarHBondContact O-CB 3.36Å; T346-R350 PolarHBondContact O-N 2.93Å; L347-R350 PolarHBondContact O-N 3Å; R350-K353 PolarHBondContact O-N 2.98Å; R350-L354 PolarHBondContact O-N 3.42Å; R350-L354 VanDerWaalsContact O-N 3.08Å |
| 351 | F | 96.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74.9 | -29.7 | -177.5 | -62.8 | -52.4 | 0 | 0 | 0 | 112.9 | H317 I318 A321 L347 L354 V355 R369 | H317-F351 AromaticContact CD2-CE1 3.84Å; H317-F351 AromaticContact NE2-CE1 3.76Å; I318-F351 HydrophobicContact CB-CD2 4.31Å; I318-F351 HydrophobicContact CB-CE1 4.49Å; I318-F351 HydrophobicContact CB-CE2 4.24Å; I318-F351 HydrophobicContact CB-CG 4.46Å; I318-F351 HydrophobicContact CB-CZ 4.31Å; I318-F351 HydrophobicContact CD1-CB 4.12Å; I318-F351 HydrophobicContact CD1-CD1 4.49Å; I318-F351 HydrophobicContact CD1-CG 4.24Å; I318-F351 HydrophobicContact CG1-CB 4.14Å; I318-F351 HydrophobicContact CG1-CD1 3.67Å; I318-F351 HydrophobicContact CG1-CD2 4.06Å; I318-F351 HydrophobicContact CG1-CE1 3.97Å; I318-F351 HydrophobicContact CG1-CE2 4.32Å; I318-F351 HydrophobicContact CG1-CG 3.71Å; I318-F351 HydrophobicContact CG1-CZ 4.27Å; I318-F351 HydrophobicContact CG2-CD2 3.74Å; I318-F351 HydrophobicContact CG2-CE2 3.81Å; I318-F351 HydrophobicContact CG2-CG 4.26Å; I318-F351 HydrophobicContact CG2-CZ 4.37Å; A321-F351 HydrophobicContact CB-CZ 4.08Å; L347-F351 HydrophobicContact CB-CE2 4.41Å; L347-F351 HydrophobicContact CD2-CE2 4.08Å; L347-F351 WeakPolarHBondContact O-CD2 3.39Å; L347-F351 PolarHBondContact O-N 2.81Å; L347-F351 VanDerWaalsContact O-N 3.07Å; F351-L354 HydrophobicContact CD1-CD2 4.46Å; F351-L354 PolarHBondContact O-N 3.1Å; F351-V355 WeakPolarHBondContact O-CG2 3.19Å; F351-V355 PolarHBondContact O-N 2.68Å; F351-R369 HydrophobicContact CB-CG 4.3Å |
| 352 | S | 96.5 | Very high | 95.9 | Very high | 20 Ų | 20 | 49 Ų | 49 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 170.7 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | F348 N349 V355 K356 R369 | F348-S352 VanDerWaalsContact O-CB 3.24Å; F348-S352 WeakPolarHBondContact O-CB 3.24Å; F348-S352 PolarHBondContact O-N 3.45Å; F348-S352 PolarHBondContact O-OG 2.84Å; N349-S352 PolarHBondContact O-N 3.02Å; S352-V355 PolarHBondContact O-N 3.04Å; S352-K356 WeakPolarHBondContact O-CB 3.47Å; S352-K356 PolarHBondContact O-N 3.04Å; S352-R369 WeakPolarHBondContact OG-CD 3.32Å; S352-R369 PolarHBondContact OG-NH1 2.91Å |
| 353 | K | 96.8 | Very high | 96.1 | Very high | 121 Ų | 121 | 49.7 Ų | 49.7 | 53% | 0.526 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.9 | -45 | 173.6 | -176.1 | 179.6 | 177.8 | -177.3 | 0 | 111.8 | N349 R350 V355 K356 E357 | N349-K353 WeakPolarHBondContact O-CB 3.44Å; N349-K353 PolarHBondContact O-N 3.08Å; R350-K353 PolarHBondContact O-N 2.98Å; K353-V355 PolarHBondContact O-N 3.38Å; K353-K356 PolarHBondContact O-N 3.01Å; K353-E357 VanDerWaalsContact CE-CD 3.47Å; K353-E357 WeakPolarHBondContact CE-OE1 3.25Å; K353-E357 HydrophobicContact CG-CG 4.33Å; K353-E357 IonicContact NZ-OE1 3.64Å; K353-E357 WeakPolarHBondContact O-CB 3.45Å; K353-E357 WeakPolarHBondContact O-CG 3.47Å; K353-E357 PolarHBondContact O-N 3.45Å |
| 354 | L | 96.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.4 | -48.2 | 175 | 171.1 | 59.9 | 0 | 0 | 0 | 111.5 | I285 T290 L293 L314 R350 F351 K356 E357 A358 | I285-L354 HydrophobicContact CG2-CD2 4.23Å; T290-L354 HydrophobicContact CG2-CD1 4.09Å; L293-L354 HydrophobicContact CD1-CD1 4.12Å; L314-L354 HydrophobicContact CD1-CD2 3.8Å; L314-L354 HydrophobicContact CD1-CG 4.47Å; R350-L354 PolarHBondContact O-N 3.42Å; R350-L354 VanDerWaalsContact O-N 3.08Å; F351-L354 HydrophobicContact CD1-CD2 4.46Å; F351-L354 PolarHBondContact O-N 3.1Å; L354-K356 PolarHBondContact O-N 3.46Å; L354-E357 PolarHBondContact O-N 3.32Å; L354-A358 HydrophobicContact CD1-CB 4.16Å; L354-A358 WeakPolarHBondContact O-CB 3.46Å; L354-A358 PolarHBondContact O-N 2.71Å |
| 355 | V | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 179.3 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | L314 F351 S352 K353 F359 Q360 F365 L366 R369 | L314-V355 HydrophobicContact CD2-CG2 3.84Å; F351-V355 WeakPolarHBondContact O-CG2 3.19Å; F351-V355 PolarHBondContact O-N 2.68Å; S352-V355 PolarHBondContact O-N 3.04Å; K353-V355 PolarHBondContact O-N 3.38Å; V355-F359 CarbonylContact O-C 3.15Å; V355-F359 WeakPolarHBondContact O-CA 3.44Å; V355-F359 WeakPolarHBondContact O-CB 3.44Å; V355-F359 PolarHBondContact O-N 3.3Å; V355-Q360 PolarHBondContact O-N 2.94Å; V355-F365 HydrophobicContact CG1-CB 3.93Å; V355-L366 HydrophobicContact CG1-CD2 3.81Å; V355-L366 HydrophobicContact CG1-CG 4.17Å; V355-R369 HydrophobicContact CG2-CB 4.1Å |
| 356 | K | 97.4 | Very high | 96.6 | Very high | 133 Ų | 133 | 53 Ų | 53 | 58% | 0.578 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.2 | -48.9 | 177 | -178.5 | 173.5 | -175.8 | 179.4 | 0 | 112.4 | S352 K353 L354 Q360 D361 | S352-K356 WeakPolarHBondContact O-CB 3.47Å; S352-K356 PolarHBondContact O-N 3.04Å; K353-K356 PolarHBondContact O-N 3.01Å; L354-K356 PolarHBondContact O-N 3.46Å; K356-Q360 VanDerWaalsContact O-CA 3.29Å; K356-Q360 WeakPolarHBondContact O-CA 3.41Å; K356-Q360 PolarHBondContact O-N 3.31Å; K356-Q360 VanDerWaalsContact O-N 3.15Å; K356-D361 WeakPolarHBondContact CA-OD1 3.46Å; K356-D361 WeakPolarHBondContact CB-OD1 3.36Å |
| 357 | E | 96.8 | Very high | 96.7 | Very high | 86 Ų | 86 | 53.7 Ų | 53.7 | 40% | 0.402 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -77.3 | -39.2 | -173.9 | -69.9 | 179.1 | 174.9 | 0 | 0 | 112.9 | T290 K353 L354 | T290-E357 HydrophobicContact CG2-CB 3.73Å; K353-E357 VanDerWaalsContact CE-CD 3.47Å; K353-E357 WeakPolarHBondContact CE-OE1 3.25Å; K353-E357 HydrophobicContact CG-CG 4.33Å; K353-E357 IonicContact NZ-OE1 3.64Å; K353-E357 WeakPolarHBondContact O-CB 3.45Å; K353-E357 WeakPolarHBondContact O-CG 3.47Å; K353-E357 PolarHBondContact O-N 3.45Å; L354-E357 PolarHBondContact O-N 3.32Å |
| 358 | A | 96.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -85 | -37.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T290 L293 H294 L354 | T290-A358 HydrophobicContact CG2-CB 4.29Å; L293-A358 HydrophobicContact CB-CB 3.71Å; L293-A358 HydrophobicContact CD1-CB 3.94Å; L293-A358 HydrophobicContact CG-CB 4.5Å; H294-A358 WeakPolarHBondContact CA-O 3.47Å; H294-A358 WeakPolarHBondContact CB-O 3.28Å; H294-A358 PolarHBondContact N-O 3.11Å; H294-A358 PolarHBondContact ND1-O 3.33Å; L354-A358 HydrophobicContact CD1-CB 4.16Å; L354-A358 WeakPolarHBondContact O-CB 3.46Å; L354-A358 PolarHBondContact O-N 2.71Å |
| 359 | F | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -123.2 | 10 | -168.1 | -49.8 | -61.2 | 0 | 0 | 0 | 113.3 | L293 F297 M310 L314 V355 D361 D362 F365 | L293-F359 HydrophobicContact CB-CE1 4.18Å; L293-F359 HydrophobicContact CB-CZ 4.27Å; L293-F359 HydrophobicContact CD1-CZ 4.44Å; L293-F359 HydrophobicContact CD2-CZ 4.42Å; F297-F359 HydrophobicContact CB-CD1 3.94Å; F297-F359 HydrophobicContact CB-CE1 4.27Å; F297-F359 HydrophobicContact CG-CD1 4.1Å; M310-F359 HydrophobicContact CE-CE1 3.69Å; M310-F359 HydrophobicContact CE-CZ 4.41Å; L314-F359 HydrophobicContact CD2-CE2 4.19Å; V355-F359 CarbonylContact O-C 3.15Å; V355-F359 WeakPolarHBondContact O-CA 3.44Å; V355-F359 WeakPolarHBondContact O-CB 3.44Å; V355-F359 PolarHBondContact O-N 3.3Å; F359-D361 VanDerWaalsContact C-N 3.26Å; F359-D361 PolarHBondContact O-N 3.49Å; F359-D362 HydrophobicContact CB-CB 4.49Å; F359-D362 VanDerWaalsContact O-CB 3.25Å; F359-D362 WeakPolarHBondContact O-CB 3.33Å; F359-D362 PolarHBondContact O-N 3.38Å; F359-F365 HydrophobicContact CB-CB 4.05Å; F359-F365 HydrophobicContact CB-CD1 4.32Å; F359-F365 HydrophobicContact CB-CD2 3.81Å; F359-F365 HydrophobicContact CB-CE2 4.31Å; F359-F365 HydrophobicContact CB-CG 3.79Å; F359-F365 AromaticContact CD1-CD1 3.98Å; F359-F365 HydrophobicContact CD1-CD1 3.98Å; F359-F365 HydrophobicContact CD1-CD2 4.16Å; F359-F365 AromaticContact CD1-CE1 3.69Å; F359-F365 HydrophobicContact CD1-CE1 3.69Å; F359-F365 AromaticContact CD1-CE2 3.88Å; F359-F365 HydrophobicContact CD1-CE2 3.88Å; F359-F365 HydrophobicContact CD1-CG 4.19Å; F359-F365 AromaticContact CD1-CZ 3.62Å; F359-F365 HydrophobicContact CD1-CZ 3.62Å; F359-F365 HydrophobicContact CD2-CB 4.03Å; F359-F365 AromaticContact CD2-CD1 3.37Å; F359-F365 HydrophobicContact CD2-CD1 3.37Å; F359-F365 HydrophobicContact CD2-CD2 4.4Å; F359-F365 AromaticContact CD2-CE1 3.84Å; F359-F365 HydrophobicContact CD2-CE1 3.84Å; F359-F365 AromaticContact CD2-CG 3.68Å; F359-F365 HydrophobicContact CD2-CG 3.68Å; F359-F365 HydrophobicContact CE1-CD1 4.14Å; F359-F365 AromaticContact CE1-CE1 3.57Å; F359-F365 HydrophobicContact CE1-CE1 3.57Å; F359-F365 HydrophobicContact CE1-CE2 4.45Å; F359-F365 AromaticContact CE1-CZ 3.74Å; F359-F365 HydrophobicContact CE1-CZ 3.74Å; F359-F365 AromaticContact CE2-CD1 3.56Å; F359-F365 HydrophobicContact CE2-CD1 3.56Å; F359-F365 AromaticContact CE2-CE1 3.73Å; F359-F365 HydrophobicContact CE2-CE1 3.73Å; F359-F365 HydrophobicContact CE2-CG 4.34Å; F359-F365 HydrophobicContact CG-CB 4.19Å; F359-F365 AromaticContact CG-CD1 3.61Å; F359-F365 HydrophobicContact CG-CD1 3.61Å; F359-F365 AromaticContact CG-CD2 3.86Å; F359-F365 HydrophobicContact CG-CD2 3.86Å; F359-F365 AromaticContact CG-CE1 3.84Å; F359-F365 HydrophobicContact CG-CE1 3.84Å; F359-F365 HydrophobicContact CG-CE2 4.07Å; F359-F365 AromaticContact CG-CG 3.61Å; F359-F365 HydrophobicContact CG-CG 3.61Å; F359-F365 HydrophobicContact CG-CZ 4.06Å; F359-F365 AromaticContact CZ-CD1 3.95Å; F359-F365 HydrophobicContact CZ-CD1 3.95Å; F359-F365 AromaticContact CZ-CE1 3.58Å; F359-F365 HydrophobicContact CZ-CE1 3.58Å; F359-F365 HydrophobicContact CZ-CZ 4.24Å |
| 360 | Q | 95.7 | Very high | 96.9 | Very high | 134 Ų | 134 | 51.8 Ų | 51.8 | 63% | 0.626 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 38.8 | 176.4 | -62.9 | -176.2 | -19.9 | 0 | 0 | 114 | H294 V355 K356 D362 | H294-Q360 PolarHBondContact CE1-NE2 3.45Å; H294-Q360 PolarHBondContact NE2-NE2 3.17Å; V355-Q360 PolarHBondContact O-N 2.94Å; K356-Q360 VanDerWaalsContact O-CA 3.29Å; K356-Q360 WeakPolarHBondContact O-CA 3.41Å; K356-Q360 PolarHBondContact O-N 3.31Å; K356-Q360 VanDerWaalsContact O-N 3.15Å; Q360-D362 PolarHBondContact O-N 3.39Å |
| 361 | D | 96.4 | Very high | 96.9 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 31.7 | -176.8 | -67.4 | -41.2 | 0 | 0 | 0 | 113.3 | K356 F359 L366 | K356-D361 WeakPolarHBondContact CA-OD1 3.46Å; K356-D361 WeakPolarHBondContact CB-OD1 3.36Å; F359-D361 VanDerWaalsContact C-N 3.26Å; F359-D361 PolarHBondContact O-N 3.49Å; D361-L366 HydrophobicContact CB-CD1 4.3Å; D361-L366 VanDerWaalsContact O-CD1 3.28Å; D361-L366 WeakPolarHBondContact O-CD1 3.41Å |
| 362 | D | 97.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | trans | -54.4 | 129 | 175 | -179.6 | -75.2 | 0 | 0 | 0 | 110.7 | F297 F359 Q360 R364 F365 L366 | F297-D362 HydrophobicContact CZ-CB 4.12Å; F297-D362 WeakPolarHBondContact CZ-OD2 3.13Å; F359-D362 HydrophobicContact CB-CB 4.49Å; F359-D362 VanDerWaalsContact O-CB 3.25Å; F359-D362 WeakPolarHBondContact O-CB 3.33Å; F359-D362 PolarHBondContact O-N 3.38Å; Q360-D362 PolarHBondContact O-N 3.39Å; D362-R364 PolarHBondContact O-N 3.2Å; D362-R364 VanDerWaalsContact O-N 3.08Å; D362-R364 WeakPolarHBondContact OD1-CA 3.41Å; D362-R364 WeakPolarHBondContact OD1-CB 2.97Å; D362-R364 WeakPolarHBondContact OD1-CG 3.38Å; D362-R364 IonicContact OD1-CZ 3.62Å; D362-R364 PolarHBondContact OD1-N 3.38Å; D362-R364 IonicContact OD1-NE 3.57Å; D362-R364 PolarHBondContact OD1-NE 2.95Å; D362-R364 IonicContact OD1-NH2 3.22Å; D362-R364 IonicContact OD2-CZ 3.93Å; D362-R364 IonicContact OD2-NE 2.82Å; D362-R364 PolarHBondContact OD2-NE 2.89Å; D362-R364 IonicContact OD2-NH2 3.9Å; D362-R364 PolarHBondContact OD2-NH2 2.93Å; D362-F365 HydrophobicContact CB-CD2 3.94Å; D362-F365 PolarHBondContact O-N 3.43Å; D362-L366 PolarHBondContact O-N 2.82Å | ||
| 363 | P | 97.3 | Very high | 96.9 | Very high | 91 Ų | 91 | 52.1 Ų | 52.1 | 59% | 0.591 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -55.9 | -29.9 | -175.3 | -28.7 | 35.3 | 0 | 0 | 0 | 114.8 | T367 | P363-T367 WeakPolarHBondContact O-CB 3.48Å; P363-T367 PolarHBondContact O-N 3.46Å; P363-T367 PolarHBondContact O-OG1 3.19Å |
| 364 | R | 97.2 | Very high | 96.8 | Very high | 91 Ų | 91 | 50.5 Ų | 50.5 | 34% | 0.343 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.2 | -41.7 | 179.9 | -57 | 166.7 | -73.9 | -173 | -2.8 | 110 | D301 I307 L311 D362 T367 A368 | D301-R364 IonicContact OD1-CZ 3.52Å; D301-R364 VanDerWaalsContact OD1-CZ 3.25Å; D301-R364 IonicContact OD1-NH1 2.66Å; D301-R364 PolarHBondContact OD1-NH1 3.49Å; D301-R364 IonicContact OD1-NH2 2.96Å; D301-R364 PolarHBondContact OD1-NH2 3.23Å; D301-R364 IonicContact OD2-NH2 3.31Å; I307-R364 VanDerWaalsContact CD1-CD 3.45Å; L311-R364 HydrophobicContact CD1-CB 4.32Å; L311-R364 HydrophobicContact CD2-CB 4.06Å; D362-R364 PolarHBondContact O-N 3.2Å; D362-R364 VanDerWaalsContact O-N 3.08Å; D362-R364 WeakPolarHBondContact OD1-CA 3.41Å; D362-R364 WeakPolarHBondContact OD1-CB 2.97Å; D362-R364 WeakPolarHBondContact OD1-CG 3.38Å; D362-R364 IonicContact OD1-CZ 3.62Å; D362-R364 PolarHBondContact OD1-N 3.38Å; D362-R364 IonicContact OD1-NE 3.57Å; D362-R364 PolarHBondContact OD1-NE 2.95Å; D362-R364 IonicContact OD1-NH2 3.22Å; D362-R364 IonicContact OD2-CZ 3.93Å; D362-R364 IonicContact OD2-NE 2.82Å; D362-R364 PolarHBondContact OD2-NE 2.89Å; D362-R364 IonicContact OD2-NH2 3.9Å; D362-R364 PolarHBondContact OD2-NH2 2.93Å; R364-T367 PolarHBondContact O-N 2.9Å; R364-A368 PolarHBondContact O-N 3.26Å |
| 365 | F | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.2 | -33.4 | 176.2 | -72 | -88.7 | 0 | 0 | 0 | 113 | F297 M310 L311 L314 V355 F359 D362 T367 A368 R369 | F297-F365 AromaticContact CD2-CE2 3.65Å; F297-F365 HydrophobicContact CD2-CE2 3.65Å; F297-F365 HydrophobicContact CD2-CZ 4.14Å; F297-F365 HydrophobicContact CE2-CD2 4.45Å; F297-F365 AromaticContact CE2-CE2 3.7Å; F297-F365 HydrophobicContact CE2-CE2 3.7Å; F297-F365 HydrophobicContact CG-CE2 4.47Å; M310-F365 HydrophobicContact CB-CE1 4.08Å; M310-F365 HydrophobicContact CB-CZ 4.02Å; M310-F365 HydrophobicContact CE-CZ 4.37Å; L311-F365 HydrophobicContact CD2-CB 4.44Å; L311-F365 HydrophobicContact CD2-CD1 3.7Å; L311-F365 HydrophobicContact CD2-CD2 3.97Å; L311-F365 HydrophobicContact CD2-CE1 3.87Å; L311-F365 HydrophobicContact CD2-CE2 4.13Å; L311-F365 HydrophobicContact CD2-CG 3.78Å; L311-F365 HydrophobicContact CD2-CZ 4.09Å; L314-F365 HydrophobicContact CD2-CB 4.36Å; L314-F365 HydrophobicContact CD2-CD1 3.73Å; V355-F365 HydrophobicContact CG1-CB 3.93Å; F359-F365 HydrophobicContact CB-CB 4.05Å; F359-F365 HydrophobicContact CB-CD1 4.32Å; F359-F365 HydrophobicContact CB-CD2 3.81Å; F359-F365 HydrophobicContact CB-CE2 4.31Å; F359-F365 HydrophobicContact CB-CG 3.79Å; F359-F365 AromaticContact CD1-CD1 3.98Å; F359-F365 HydrophobicContact CD1-CD1 3.98Å; F359-F365 HydrophobicContact CD1-CD2 4.16Å; F359-F365 AromaticContact CD1-CE1 3.69Å; F359-F365 HydrophobicContact CD1-CE1 3.69Å; F359-F365 AromaticContact CD1-CE2 3.88Å; F359-F365 HydrophobicContact CD1-CE2 3.88Å; F359-F365 HydrophobicContact CD1-CG 4.19Å; F359-F365 AromaticContact CD1-CZ 3.62Å; F359-F365 HydrophobicContact CD1-CZ 3.62Å; F359-F365 HydrophobicContact CD2-CB 4.03Å; F359-F365 AromaticContact CD2-CD1 3.37Å; F359-F365 HydrophobicContact CD2-CD1 3.37Å; F359-F365 HydrophobicContact CD2-CD2 4.4Å; F359-F365 AromaticContact CD2-CE1 3.84Å; F359-F365 HydrophobicContact CD2-CE1 3.84Å; F359-F365 AromaticContact CD2-CG 3.68Å; F359-F365 HydrophobicContact CD2-CG 3.68Å; F359-F365 HydrophobicContact CE1-CD1 4.14Å; F359-F365 AromaticContact CE1-CE1 3.57Å; F359-F365 HydrophobicContact CE1-CE1 3.57Å; F359-F365 HydrophobicContact CE1-CE2 4.45Å; F359-F365 AromaticContact CE1-CZ 3.74Å; F359-F365 HydrophobicContact CE1-CZ 3.74Å; F359-F365 AromaticContact CE2-CD1 3.56Å; F359-F365 HydrophobicContact CE2-CD1 3.56Å; F359-F365 AromaticContact CE2-CE1 3.73Å; F359-F365 HydrophobicContact CE2-CE1 3.73Å; F359-F365 HydrophobicContact CE2-CG 4.34Å; F359-F365 HydrophobicContact CG-CB 4.19Å; F359-F365 AromaticContact CG-CD1 3.61Å; F359-F365 HydrophobicContact CG-CD1 3.61Å; F359-F365 AromaticContact CG-CD2 3.86Å; F359-F365 HydrophobicContact CG-CD2 3.86Å; F359-F365 AromaticContact CG-CE1 3.84Å; F359-F365 HydrophobicContact CG-CE1 3.84Å; F359-F365 HydrophobicContact CG-CE2 4.07Å; F359-F365 AromaticContact CG-CG 3.61Å; F359-F365 HydrophobicContact CG-CG 3.61Å; F359-F365 HydrophobicContact CG-CZ 4.06Å; F359-F365 AromaticContact CZ-CD1 3.95Å; F359-F365 HydrophobicContact CZ-CD1 3.95Å; F359-F365 AromaticContact CZ-CE1 3.58Å; F359-F365 HydrophobicContact CZ-CE1 3.58Å; F359-F365 HydrophobicContact CZ-CZ 4.24Å; D362-F365 HydrophobicContact CB-CD2 3.94Å; D362-F365 PolarHBondContact O-N 3.43Å; F365-T367 VanDerWaalsContact C-N 3.34Å; F365-A368 PolarHBondContact O-N 3.17Å; F365-R369 WeakPolarHBondContact O-CB 3.17Å; F365-R369 PolarHBondContact O-N 3.47Å |
| 366 | L | 97.3 | Very high | 96.4 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 170.3 | -70 | 173.9 | 0 | 0 | 0 | 111.3 | V355 D361 D362 R369 D370 | V355-L366 HydrophobicContact CG1-CD2 3.81Å; V355-L366 HydrophobicContact CG1-CG 4.17Å; D361-L366 HydrophobicContact CB-CD1 4.3Å; D361-L366 VanDerWaalsContact O-CD1 3.28Å; D361-L366 WeakPolarHBondContact O-CD1 3.41Å; D362-L366 PolarHBondContact O-N 2.82Å; L366-R369 PolarHBondContact O-N 3.36Å; L366-D370 WeakPolarHBondContact O-CB 3.43Å; L366-D370 VanDerWaalsContact O-CG 3.23Å; L366-D370 PolarHBondContact O-N 2.99Å |
| 367 | T | 97.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 46.4 Ų | 46.4 | 56% | 0.564 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.2 | -43.3 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | P363 R364 F365 D370 K371 | P363-T367 WeakPolarHBondContact O-CB 3.48Å; P363-T367 PolarHBondContact O-N 3.46Å; P363-T367 PolarHBondContact O-OG1 3.19Å; R364-T367 PolarHBondContact O-N 2.9Å; F365-T367 VanDerWaalsContact C-N 3.34Å; T367-D370 PolarHBondContact O-N 3.35Å; T367-K371 WeakPolarHBondContact O-CB 3.27Å; T367-K371 PolarHBondContact O-N 2.93Å |
| 368 | A | 97.2 | Very high | 96 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L311 E315 R364 F365 D370 K371 A372 | L311-A368 HydrophobicContact CD2-CB 4.03Å; E315-A368 HydrophobicContact CG-CB 3.81Å; R364-A368 PolarHBondContact O-N 3.26Å; F365-A368 PolarHBondContact O-N 3.17Å; A368-D370 PolarHBondContact O-N 3.08Å; A368-K371 PolarHBondContact O-N 2.91Å; A368-A372 VanDerWaalsContact O-CB 3.3Å; A368-A372 WeakPolarHBondContact O-CB 3.47Å; A368-A372 PolarHBondContact O-N 3.32Å |
| 369 | R | 97.5 | Very high | 95.5 | Very high | 27 Ų | 27 | 45.5 Ų | 45.5 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57 | -48.1 | 173.7 | 178.9 | -150.5 | 63.6 | -158.5 | -14 | 111.5 | I318 F351 S352 V355 F365 L366 K371 A372 Y373 | I318-R369 HydrophobicContact CD1-CB 3.99Å; I318-R369 HydrophobicContact CD1-CG 4.01Å; F351-R369 HydrophobicContact CB-CG 4.3Å; S352-R369 WeakPolarHBondContact OG-CD 3.32Å; S352-R369 PolarHBondContact OG-NH1 2.91Å; V355-R369 HydrophobicContact CG2-CB 4.1Å; F365-R369 WeakPolarHBondContact O-CB 3.17Å; F365-R369 PolarHBondContact O-N 3.47Å; L366-R369 PolarHBondContact O-N 3.36Å; R369-K371 PolarHBondContact O-N 2.7Å; R369-A372 PolarHBondContact O-N 3.09Å; R369-Y373 VanDerWaalsContact O-CB 3.22Å; R369-Y373 WeakPolarHBondContact O-CB 3.49Å; R369-Y373 PolarHBondContact O-N 3.23Å |
| 370 | D | 96.9 | Very high | 94.8 | Very high | 48 Ų | 48 | 46.5 Ų | 46.5 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.4 | -40.3 | -176.9 | -72 | -9.2 | 0 | 0 | 0 | 112.1 | L366 T367 A368 K374 Y443 | L366-D370 WeakPolarHBondContact O-CB 3.43Å; L366-D370 VanDerWaalsContact O-CG 3.23Å; L366-D370 PolarHBondContact O-N 2.99Å; T367-D370 PolarHBondContact O-N 3.35Å; A368-D370 PolarHBondContact O-N 3.08Å; D370-K374 WeakPolarHBondContact O-CB 3.42Å; D370-K374 PolarHBondContact O-N 3.31Å; D370-Y443 HydrophobicContact CB-CE1 3.88Å; D370-Y443 PolarHBondContact OD1-OH 2.97Å |
| 371 | K | 95.8 | Very high | 93.8 | Very high | 126 Ų | 126 | 44.6 Ų | 44.6 | 55% | 0.548 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.3 | -45.8 | 174 | -178.9 | -179.3 | 164.9 | -148 | 0 | 111.6 | E315 T367 A368 R369 K374 A375 | E315-K371 VanDerWaalsContact CD-NZ 3.33Å; E315-K371 WeakPolarHBondContact OE1-CD 3.37Å; E315-K371 IonicContact OE1-NZ 2.6Å; E315-K371 PolarHBondContact OE1-NZ 3.24Å; E315-K371 VanDerWaalsContact OE1-NZ 3.11Å; E315-K371 WeakPolarHBondContact OE2-CE 3.39Å; E315-K371 IonicContact OE2-NZ 2.7Å; E315-K371 PolarHBondContact OE2-NZ 2.9Å; T367-K371 WeakPolarHBondContact O-CB 3.27Å; T367-K371 PolarHBondContact O-N 2.93Å; A368-K371 PolarHBondContact O-N 2.91Å; R369-K371 PolarHBondContact O-N 2.7Å; K371-K374 PolarHBondContact O-N 3.24Å; K371-A375 PolarHBondContact O-N 2.97Å |
| 372 | A | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69 | -42.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E315 I318 I319 A368 R369 K374 A375 V376 | E315-A372 HydrophobicContact CB-CB 4.25Å; E315-A372 HydrophobicContact CG-CB 4.35Å; I318-A372 HydrophobicContact CB-CB 3.65Å; I318-A372 HydrophobicContact CD1-CB 4.23Å; I318-A372 HydrophobicContact CG2-CB 3.48Å; I318-A372 VanDerWaalsContact CG2-CB 3.48Å; I319-A372 HydrophobicContact CD1-CB 4.41Å; I319-A372 HydrophobicContact CG1-CB 3.99Å; A368-A372 VanDerWaalsContact O-CB 3.3Å; A368-A372 WeakPolarHBondContact O-CB 3.47Å; A368-A372 PolarHBondContact O-N 3.32Å; R369-A372 PolarHBondContact O-N 3.09Å; A372-K374 VanDerWaalsContact C-N 3.34Å; A372-K374 PolarHBondContact O-N 2.92Å; A372-A375 WeakPolarHBondContact O-CB 3.3Å; A372-A375 PolarHBondContact O-N 3.22Å; A372-A375 VanDerWaalsContact O-N 3.08Å; A372-V376 PolarHBondContact O-N 2.95Å |
| 373 | Y | 96.7 | Very high | 91 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -41.3 | 174.8 | -173.2 | -103.1 | 0 | 0 | 0 | 111.4 | L344 L347 F348 R369 A375 V376 V377 Y443 | L344-Y373 WeakPolarHBondContact O-CE2 3.28Å; L344-Y373 PolarHBondContact O-OH 2.79Å; L347-Y373 HydrophobicContact CB-CE2 4.33Å; F348-Y373 HydrophobicContact CB-CD2 4.3Å; F348-Y373 HydrophobicContact CB-CE1 4.44Å; F348-Y373 HydrophobicContact CB-CE2 3.64Å; F348-Y373 AromaticContact CD2-CD1 3.89Å; F348-Y373 HydrophobicContact CD2-CD1 3.89Å; F348-Y373 HydrophobicContact CD2-CD2 4.16Å; F348-Y373 AromaticContact CD2-CE1 3.85Å; F348-Y373 HydrophobicContact CD2-CE1 3.85Å; F348-Y373 HydrophobicContact CD2-CE2 4.13Å; F348-Y373 HydrophobicContact CD2-CG 4.05Å; F348-Y373 AromaticContact CD2-CZ 3.97Å; F348-Y373 HydrophobicContact CG-CE2 4.4Å; R369-Y373 VanDerWaalsContact O-CB 3.22Å; R369-Y373 WeakPolarHBondContact O-CB 3.49Å; R369-Y373 PolarHBondContact O-N 3.23Å; Y373-A375 VanDerWaalsContact C-N 3.28Å; Y373-A375 PolarHBondContact O-N 3.45Å; Y373-V376 PolarHBondContact O-N 3.32Å; Y373-V376 VanDerWaalsContact O-N 3.16Å; Y373-V377 HydrophobicContact CD1-CG2 3.91Å; Y373-V377 HydrophobicContact CE1-CG2 3.51Å; Y373-V377 HydrophobicContact CE2-CG2 4.37Å; Y373-V377 HydrophobicContact CG-CG2 4.48Å; Y373-V377 WeakPolarHBondContact O-CG2 3.48Å; Y373-V377 PolarHBondContact O-N 2.97Å; Y373-Y443 HydrophobicContact CD1-CD1 4Å; Y373-Y443 AromaticContact CD1-CD2 3.6Å; Y373-Y443 HydrophobicContact CD1-CD2 3.6Å; Y373-Y443 HydrophobicContact CD1-CE1 4.34Å; Y373-Y443 AromaticContact CD1-CE2 3.96Å; Y373-Y443 HydrophobicContact CD1-CE2 3.96Å; Y373-Y443 AromaticContact CD1-CG 3.62Å; Y373-Y443 HydrophobicContact CD1-CG 3.62Å; Y373-Y443 AromaticContact CE1-CD2 3.56Å; Y373-Y443 HydrophobicContact CE1-CD2 3.56Å; Y373-Y443 HydrophobicContact CE1-CE2 4.03Å; Y373-Y443 AromaticContact CE1-CG 3.97Å; Y373-Y443 HydrophobicContact CE1-CG 3.97Å |
| 374 | K | 94.4 | Very high | 89.5 | Confident | 87 Ų | 87 | 44.6 Ų | 44.6 | 38% | 0.378 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58 | -39.3 | 171.1 | -177.3 | 169.6 | -170.9 | 177.4 | 0 | 112 | D370 K371 A372 N378 Y443 | D370-K374 WeakPolarHBondContact O-CB 3.42Å; D370-K374 PolarHBondContact O-N 3.31Å; K371-K374 PolarHBondContact O-N 3.24Å; A372-K374 VanDerWaalsContact C-N 3.34Å; A372-K374 PolarHBondContact O-N 2.92Å; K374-N378 WeakPolarHBondContact CG-ND2 3.38Å; K374-N378 WeakPolarHBondContact O-CB 3.22Å; K374-N378 PolarHBondContact O-N 3.34Å; K374-N378 VanDerWaalsContact O-N 3.15Å; K374-N378 PolarHBondContact O-ND2 2.99Å; K374-Y443 HydrophobicContact CB-CD1 4.3Å; K374-Y443 WeakPolarHBondContact CG-O 3.45Å |
| 375 | A | 93.4 | Very high | 87.9 | Confident | 43 Ų | 43 | 40.7 Ų | 40.7 | 36% | 0.355 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I319 K371 A372 Y373 D379 | I319-A375 HydrophobicContact CD1-CB 3.9Å; I319-A375 HydrophobicContact CG1-CB 4.01Å; K371-A375 PolarHBondContact O-N 2.97Å; A372-A375 WeakPolarHBondContact O-CB 3.3Å; A372-A375 PolarHBondContact O-N 3.22Å; A372-A375 VanDerWaalsContact O-N 3.08Å; Y373-A375 VanDerWaalsContact C-N 3.28Å; Y373-A375 PolarHBondContact O-N 3.45Å; A375-D379 WeakPolarHBondContact O-CB 3.43Å; A375-D379 PolarHBondContact O-N 3.33Å |
| 376 | V | 93.1 | Very high | 86.2 | Confident | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 176.6 | 178.3 | 0 | 0 | 0 | 0 | 112 | L323 M326 L347 A372 Y373 N378 D379 | L323-V376 HydrophobicContact CD2-CG1 4.43Å; M326-V376 HydrophobicContact CG-CG1 4.31Å; L347-V376 HydrophobicContact CD1-CG1 4.4Å; A372-V376 PolarHBondContact O-N 2.95Å; Y373-V376 PolarHBondContact O-N 3.32Å; Y373-V376 VanDerWaalsContact O-N 3.16Å; V376-N378 VanDerWaalsContact C-N 3.3Å; V376-N378 PolarHBondContact O-N 2.92Å; V376-D379 WeakPolarHBondContact O-CB 3.41Å; V376-D379 PolarHBondContact O-N 3Å |
| 377 | V | 92.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.4 | -36.8 | -178.7 | 168.8 | 0 | 0 | 0 | 0 | 112.3 | L344 Y373 S402 C404 V440 V444 | L344-V377 HydrophobicContact CD2-CG2 4.23Å; Y373-V377 HydrophobicContact CD1-CG2 3.91Å; Y373-V377 HydrophobicContact CE1-CG2 3.51Å; Y373-V377 HydrophobicContact CE2-CG2 4.37Å; Y373-V377 HydrophobicContact CG-CG2 4.48Å; Y373-V377 WeakPolarHBondContact O-CG2 3.48Å; Y373-V377 PolarHBondContact O-N 2.97Å; V377-S402 PolarHBondContact O-OG 3.15Å; V377-C404 WeakPolarHBondContact O-CB 3.43Å; V377-V440 HydrophobicContact CG1-CG1 4.41Å; V377-V440 HydrophobicContact CG2-CG1 4.29Å; V377-V444 HydrophobicContact CG1-CG2 3.83Å |
| 378 | N | 91.2 | Very high | 82.7 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 14% | 0.139 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 6.2 | -179.1 | -61.6 | -78.5 | 0 | 0 | 0 | 113.3 | K374 V376 A380 Y443 Q445 | K374-N378 WeakPolarHBondContact CG-ND2 3.38Å; K374-N378 WeakPolarHBondContact O-CB 3.22Å; K374-N378 PolarHBondContact O-N 3.34Å; K374-N378 VanDerWaalsContact O-N 3.15Å; K374-N378 PolarHBondContact O-ND2 2.99Å; V376-N378 VanDerWaalsContact C-N 3.3Å; V376-N378 PolarHBondContact O-N 2.92Å; N378-A380 PolarHBondContact O-N 3.39Å; N378-Y443 PolarHBondContact ND2-O 3.35Å; N378-Q445 HydrophobicContact CB-CG 4.35Å; N378-Q445 WeakPolarHBondContact OD1-CB 3.47Å; N378-Q445 PolarHBondContact OD1-N 2.92Å |
| 379 | D | 87.1 | Confident | 80.6 | Confident | 42 Ų | 42 | 45 Ų | 45 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | trans | -68 | 129.8 | 176.6 | -173.9 | -94 | 0 | 0 | 0 | 110.6 | L323 A375 V376 T381 | L323-D379 HydrophobicContact CD2-CB 3.54Å; L323-D379 VanDerWaalsContact CD2-CG 3.44Å; A375-D379 WeakPolarHBondContact O-CB 3.43Å; A375-D379 PolarHBondContact O-N 3.33Å; V376-D379 WeakPolarHBondContact O-CB 3.41Å; V376-D379 PolarHBondContact O-N 3Å; D379-T381 WeakPolarHBondContact OD1-CA 3.29Å; D379-T381 WeakPolarHBondContact OD1-CB 3.36Å; D379-T381 WeakPolarHBondContact OD1-CG2 3.44Å; D379-T381 PolarHBondContact OD1-N 2.74Å; D379-T381 PolarHBondContact OD1-OG1 3.17Å | ||
| 380 | A | 82.7 | Confident | 78.5 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | trans | -99.5 | 6.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N378 K384 P400 | N378-A380 PolarHBondContact O-N 3.39Å; A380-K384 HydrophobicContact CB-CG 4.46Å; A380-K384 WeakPolarHBondContact O-CE 3.4Å; A380-K384 WeakPolarHBondContact O-CG 3.49Å; A380-P400 HydrophobicContact CB-CB 4.27Å | ||
| 381 | T | 73.3 | Confident | 76.3 | Confident | 94 Ų | 94 | 53.7 Ų | 53.7 | 58% | 0.577 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -73 | -32.5 | -177 | 68 | 0 | 0 | 0 | 0 | 112.3 | D379 | D379-T381 WeakPolarHBondContact OD1-CA 3.29Å; D379-T381 WeakPolarHBondContact OD1-CB 3.36Å; D379-T381 WeakPolarHBondContact OD1-CG2 3.44Å; D379-T381 PolarHBondContact OD1-N 2.74Å; D379-T381 PolarHBondContact OD1-OG1 3.17Å |
| 382 | I | 67.7 | Low | 73.8 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 21% | 0.21 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -90.2 | -48.9 | -176.5 | -49.1 | 179.8 | 0 | 0 | 0 | 110.7 | L323 M326 V327 | L323-I382 HydrophobicContact CD2-CD1 4.26Å; M326-I382 HydrophobicContact CB-CD1 3.1Å; M326-I382 HydrophobicContact CG-CD1 4.11Å; V327-I382 HydrophobicContact CG2-CD1 3.75Å; V327-I382 HydrophobicContact CG2-CG1 3.85Å |
| 383 | F | 66.7 | Low | 71.3 | Confident | 20 Ų | 20 | 62 Ų | 62 | 9% | 0.088 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -127.4 | 104.1 | -178.4 | -70.8 | -73.8 | 0 | 0 | 0 | 111.5 | I333 T334 Y340 K403 | I333-F383 HydrophobicContact CD1-CE2 3.87Å; I333-F383 HydrophobicContact CD1-CZ 4.37Å; I333-F383 HydrophobicContact CG1-CE2 3.78Å; I333-F383 HydrophobicContact CG1-CZ 3.77Å; T334-F383 HydrophobicContact CG2-CD1 4.49Å; T334-F383 HydrophobicContact CG2-CE1 3.3Å; T334-F383 HydrophobicContact CG2-CZ 3.41Å; T334-F383 VanDerWaalsContact CG2-CZ 3.41Å; Y340-F383 HydrophobicContact CD2-CD2 4.16Å; Y340-F383 AromaticContact CD2-CE2 3.7Å; Y340-F383 HydrophobicContact CD2-CE2 3.7Å; Y340-F383 HydrophobicContact CD2-CZ 4.35Å; Y340-F383 AromaticContact CE2-CD2 3.51Å; Y340-F383 HydrophobicContact CE2-CD2 3.51Å; Y340-F383 AromaticContact CE2-CE2 3.49Å; Y340-F383 HydrophobicContact CE2-CE2 3.49Å; Y340-F383 VanDerWaalsContact CE2-CE2 3.49Å; Y340-F383 HydrophobicContact CE2-CZ 4.49Å; F383-K403 HydrophobicContact CB-CB 3.68Å; F383-K403 PolarHBondContact O-N 2.87Å; F383-K403 VanDerWaalsContact O-N 3.12Å |
| 384 | K | 67.2 | Low | 68.7 | Low | 122 Ų | 122 | 66.3 Ų | 66.3 | 53% | 0.53 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124.6 | 176.8 | -65.8 | 179.2 | -175.8 | 177 | 0 | 110.2 | A380 P400 E401 | A380-K384 HydrophobicContact CB-CG 4.46Å; A380-K384 WeakPolarHBondContact O-CE 3.4Å; A380-K384 WeakPolarHBondContact O-CG 3.49Å; K384-P400 HydrophobicContact CB-CB 4.07Å; K384-P400 HydrophobicContact CD-CB 3.87Å; K384-P400 HydrophobicContact CD-CG 4.15Å; K384-P400 HydrophobicContact CG-CB 3.79Å; K384-E401 CarbonylContact C-O 3.51Å |
| 385 | L | 63.1 | Low | 66.1 | Low | 10 Ų | 10 | 66.2 Ų | 66.2 | 5% | 0.052 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.1 | 158.5 | -176.6 | 69.6 | 0 | 0 | 0 | 107.2 | L387 E401 V449 | L385-L387 HydrophobicContact CD2-CD2 3.99Å; L385-L387 HydrophobicContact CD2-CG 4.23Å; L385-L387 HydrophobicContact CG-CD2 4.17Å; L385-L387 HydrophobicContact CG-CG 4.3Å; L385-E401 HydrophobicContact CB-CB 4.44Å; L385-E401 PolarHBondContact N-O 2.9Å; L385-E401 PolarHBondContact O-N 3.45Å; L385-V449 HydrophobicContact CD2-CG1 3.75Å; L385-V449 HydrophobicContact CD2-CG2 4.32Å |
| 386 | E | 62.7 | Low | 63.8 | Low | 131 Ų | 131 | 66.1 Ų | 66.1 | 61% | 0.612 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -96.3 | 119.8 | 168.5 | -65.4 | -170.3 | 162.2 | 0 | 0 | 108.1 | P388 | E386-P388 WeakPolarHBondContact O-CD 3.4Š|
| 387 | L | 62.2 | Low | 61.9 | Low | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | trans | -97.9 | 88.6 | 174.9 | -67 | 174.1 | 0 | 0 | 0 | 108.1 | L385 L389 T398 N704 I707 V708 | L385-L387 HydrophobicContact CD2-CD2 3.99Å; L385-L387 HydrophobicContact CD2-CG 4.23Å; L385-L387 HydrophobicContact CG-CD2 4.17Å; L385-L387 HydrophobicContact CG-CG 4.3Å; L387-L389 PolarHBondContact O-N 3.15Å; L387-T398 PolarHBondContact N-OG1 3.45Å; L387-T398 WeakPolarHBondContact O-CG2 3.39Å; L387-T398 PolarHBondContact O-OG1 3.48Å; L387-N704 HydrophobicContact CD2-CB 3.64Å; L387-N704 VanDerWaalsContact CD2-CG 3.49Å; L387-N704 WeakPolarHBondContact CD2-OD1 3.41Å; L387-I707 HydrophobicContact CD1-CG2 4.25Å; L387-I707 HydrophobicContact CD2-CD1 4.34Å; L387-V708 HydrophobicContact CB-CG2 3.84Å; L387-V708 HydrophobicContact CD1-CG2 4.31Å | ||
| 388 | P | 59.3 | Low | 60.3 | Low | 47 Ų | 47 | 76.4 Ų | 76.4 | 31% | 0.305 | 42% | 0.417 | S | S | . | . | trans | -59.9 | 133.8 | -174.9 | 23.6 | -33.4 | 0 | 0 | 0 | 111.7 | E386 | E386-P388 WeakPolarHBondContact O-CD 3.4Š| ||
| 389 | L | 52.6 | Low | 59 | Low | 48 Ų | 48 | 81.4 Ų | 81.4 | 25% | 0.251 | 44% | 0.44 | S | S | . | . | trans | -100.6 | 95 | 168.3 | -89.8 | 164.9 | 0 | 0 | 0 | 108.5 | L387 Q391 T398 V708 | L387-L389 PolarHBondContact O-N 3.15Å; L389-Q391 PolarHBondContact O-N 2.77Å; L389-Q391 VanDerWaalsContact O-N 3.08Å; L389-T398 HydrophobicContact CB-CG2 4.44Å; L389-T398 HydrophobicContact CD1-CG2 3.57Å; L389-T398 HydrophobicContact CG-CG2 3.93Å; L389-V708 HydrophobicContact CD1-CG1 4.11Å; L389-V708 HydrophobicContact CD2-CB 4.15Å; L389-V708 HydrophobicContact CD2-CG1 3.38Å; L389-V708 HydrophobicContact CG-CG1 3.81Å | ||
| 390 | K | 52.4 | Low | 58.2 | Low | 137 Ų | 137 | 81.5 Ų | 81.5 | 60% | 0.596 | 44% | 0.443 | S | S | * | . | trans | -82 | 67.6 | 165.5 | -71.3 | -178.3 | -172.4 | 157.2 | 0 | 110.1 | K392 E701 | K390-K392 PolarHBondContact O-N 2.91Å; K390-E701 IonicContact NZ-OE2 3.39Å; K390-E701 PolarHBondContact NZ-OE2 3.47Å | ||
| 391 | Q | 50.7 | Low | 58.1 | Low | 121 Ų | 121 | 81.2 Ų | 81.2 | 57% | 0.565 | 44% | 0.438 | S | S | * | . | trans | -80.1 | 114.9 | 157.1 | -80 | -173.4 | -7.1 | 0 | 0 | 107.9 | L389 G393 V394 | L389-Q391 PolarHBondContact O-N 2.77Å; L389-Q391 VanDerWaalsContact O-N 3.08Å; Q391-G393 PolarHBondContact O-N 3.31Å; Q391-V394 PolarHBondContact O-N 2.93Å | ||
| 392 | K | 43.7 | Very low | 58.6 | Low | 224 Ų | 224 | 77.2 Ų | 77.2 | 97% | 0.974 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 107.2 | 172.5 | -78.1 | -178.3 | 173.9 | 178.9 | 0 | 109 | K390 | K390-K392 PolarHBondContact O-N 2.91Š|
| 393 | G | 45 | Very low | 59.4 | Low | 77 Ų | 77 | 78.3 Ų | 78.3 | 79% | 0.794 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.4 | -15.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117 | Q391 | Q391-G393 PolarHBondContact O-N 3.31Š|
| 394 | V | 40.7 | Very low | 60.5 | Low | 93 Ų | 93 | 77.4 Ų | 77.4 | 56% | 0.564 | 41% | 0.413 | S | S | * | . | trans | -144 | 115.8 | 177 | -156.4 | 0 | 0 | 0 | 0 | 109.8 | Q391 L396 | Q391-V394 PolarHBondContact O-N 2.93Å; V394-L396 HydrophobicContact CB-CD1 3.43Å; V394-L396 VanDerWaalsContact CB-CD1 3.43Å; V394-L396 HydrophobicContact CG1-CD1 3.25Å; V394-L396 PolarHBondContact O-N 3.05Å | ||
| 395 | G | 39.7 | Very low | 61.7 | Low | 85 Ų | 85 | 71.7 Ų | 71.7 | 88% | 0.876 | 39% | 0.388 | S | S | * | . | trans | -68.6 | 62 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K397 | G395-K397 PolarHBondContact O-N 3.49Š| ||
| 396 | L | 46.7 | Very low | 62.9 | Low | 42 Ų | 42 | 72.6 Ų | 72.6 | 22% | 0.22 | 39% | 0.392 | C | S | . | . | trans | -76.8 | 102.8 | 177.4 | -88.4 | 81.6 | 0 | 0 | 0 | 110 | V394 T398 | V394-L396 HydrophobicContact CB-CD1 3.43Å; V394-L396 VanDerWaalsContact CB-CD1 3.43Å; V394-L396 HydrophobicContact CG1-CD1 3.25Å; V394-L396 PolarHBondContact O-N 3.05Å; L396-T398 PolarHBondContact O-N 3.41Å | ||
| 397 | K | 52.4 | Low | 64.2 | Low | 199 Ų | 199 | 66.7 Ų | 66.7 | 87% | 0.865 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -66 | 125.6 | 158.2 | -63.6 | -174.7 | 178.2 | -173.8 | 0 | 108.5 | G395 | G395-K397 PolarHBondContact O-N 3.49Š|
| 398 | T | 59.1 | Low | 65.7 | Low | 24 Ų | 24 | 66.7 Ų | 66.7 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 153.3 | 168.2 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | L387 L389 L396 | L387-T398 PolarHBondContact N-OG1 3.45Å; L387-T398 WeakPolarHBondContact O-CG2 3.39Å; L387-T398 PolarHBondContact O-OG1 3.48Å; L389-T398 HydrophobicContact CB-CG2 4.44Å; L389-T398 HydrophobicContact CD1-CG2 3.57Å; L389-T398 HydrophobicContact CG-CG2 3.93Å; L396-T398 PolarHBondContact O-N 3.41Å |
| 399 | Q | 64.1 | Low | 67.3 | Low | 132 Ų | 132 | 64.4 Ų | 64.4 | 62% | 0.617 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 136.9 | 167.8 | -75.8 | -69.5 | -13.8 | 0 | 0 | 109.7 | E401 | Q399-E401 PolarHBondContact O-N 2.9Š|
| 400 | P | 71.1 | Confident | 69.1 | Low | 43 Ų | 43 | 63.9 Ų | 63.9 | 28% | 0.279 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 132.6 | 173.4 | -20.7 | 31.6 | 0 | 0 | 0 | 110.5 | A380 K384 | A380-P400 HydrophobicContact CB-CB 4.27Å; K384-P400 HydrophobicContact CB-CB 4.07Å; K384-P400 HydrophobicContact CD-CB 3.87Å; K384-P400 HydrophobicContact CD-CG 4.15Å; K384-P400 HydrophobicContact CG-CB 3.79Å |
| 401 | E | 80.7 | Confident | 71.1 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 160.5 | 174.8 | -61 | -172.4 | 178.3 | 0 | 0 | 110 | K384 L385 Q399 N446 R711 Q749 | K384-E401 CarbonylContact C-O 3.51Å; L385-E401 HydrophobicContact CB-CB 4.44Å; L385-E401 PolarHBondContact N-O 2.9Å; L385-E401 PolarHBondContact O-N 3.45Å; Q399-E401 PolarHBondContact O-N 2.9Å; E401-N446 PolarHBondContact OE2-ND2 3.36Å; E401-R711 IonicContact OE1-CZ 2.79Å; E401-R711 IonicContact OE1-NH1 3.23Å; E401-R711 PolarHBondContact OE1-NH1 3.38Å; E401-R711 IonicContact OE1-NH2 2.79Å; E401-R711 IonicContact OE2-CZ 2.99Å; E401-R711 IonicContact OE2-NH1 3.88Å; E401-R711 PolarHBondContact OE2-NH1 2.92Å; E401-R711 IonicContact OE2-NH2 2.75Å; E401-R711 PolarHBondContact OE2-NH2 3.43Å; E401-Q749 PolarHBondContact OE1-NE2 3.1Å |
| 402 | S | 83.1 | Confident | 73.2 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 136 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | V377 C404 P405 | V377-S402 PolarHBondContact O-OG 3.15Å; S402-C404 PolarHBondContact O-N 3.49Å; S402-C404 WeakPolarHBondContact OG-CB 3.46Å; S402-C404 PolarHBondContact OG-N 3.31Å; S402-C404 VanDerWaalsContact OG-N 3.13Å; S402-P405 WeakPolarHBondContact O-CD 3.49Å |
| 403 | K | 85.1 | Confident | 75.6 | Confident | 65 Ų | 65 | 41.4 Ų | 41.4 | 28% | 0.283 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -76.5 | -5 | 172.1 | -154.2 | 177.8 | 179.4 | 179.4 | 0 | 113.4 | F383 E406 L407 | F383-K403 HydrophobicContact CB-CB 3.68Å; F383-K403 PolarHBondContact O-N 2.87Å; F383-K403 VanDerWaalsContact O-N 3.12Å; K403-E406 VanDerWaalsContact CE-OE1 3.24Å; K403-E406 WeakPolarHBondContact CE-OE1 3.22Å; K403-E406 WeakPolarHBondContact CE-OE2 3.3Å; K403-E406 HydrophobicContact CG-CB 4.22Å; K403-E406 WeakPolarHBondContact CG-OE2 3.46Å; K403-E406 IonicContact NZ-OE1 2.73Å; K403-E406 PolarHBondContact O-N 3.05Å; K403-E406 VanDerWaalsContact O-N 3.11Å; K403-L407 HydrophobicContact CG-CG 4.45Å; K403-L407 PolarHBondContact O-N 3.47Å; K403-L407 VanDerWaalsContact O-N 3.15Å |
| 404 | C | 89.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -47.2 | -46.5 | 179.3 | -174.7 | 0 | 0 | 0 | 0 | 114.1 | Y340 V377 S402 E406 L407 L408 | Y340-C404 HydrophobicContact CE1-CB 4.22Å; Y340-C404 WeakPolarHBondContact OH-CB 3.4Å; V377-C404 WeakPolarHBondContact O-CB 3.43Å; S402-C404 PolarHBondContact O-N 3.49Å; S402-C404 WeakPolarHBondContact OG-CB 3.46Å; S402-C404 PolarHBondContact OG-N 3.31Å; S402-C404 VanDerWaalsContact OG-N 3.13Å; C404-E406 VanDerWaalsContact C-N 3.32Å; C404-E406 PolarHBondContact O-N 3.38Å; C404-L407 PolarHBondContact O-N 3.45Å; C404-L407 VanDerWaalsContact O-N 3.17Å; C404-L408 VanDerWaalsContact O-CG 3.28Å; C404-L408 WeakPolarHBondContact O-CG 3.5Å; C404-L408 PolarHBondContact O-N 3.03Å |
| 405 | P | 91.6 | Very high | 80.3 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -38.6 | -179.4 | -14.9 | 25.2 | 0 | 0 | 0 | 113.5 | S402 A409 V444 V449 F450 | S402-P405 WeakPolarHBondContact O-CD 3.49Å; P405-A409 WeakPolarHBondContact O-CB 3.4Å; P405-A409 PolarHBondContact O-N 3.08Å; P405-A409 VanDerWaalsContact O-N 3.13Å; P405-V444 HydrophobicContact CB-CG1 4.14Å; P405-V444 HydrophobicContact CG-CG1 3.66Å; P405-V449 HydrophobicContact CB-CB 3.88Å; P405-V449 HydrophobicContact CB-CG1 3.99Å; P405-V449 HydrophobicContact CG-CB 4.23Å; P405-V449 HydrophobicContact CG-CG1 4.42Å; P405-F450 HydrophobicContact CB-CB 3.88Å; P405-F450 WeakPolarHBondContact O-CD2 3.5Å |
| 406 | E | 88.2 | Confident | 83 | Confident | 29 Ų | 29 | 31.9 Ų | 31.9 | 14% | 0.136 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.3 | -45.7 | 176.3 | -178.2 | -164.4 | 144.9 | 0 | 0 | 110.7 | K403 C404 L408 A409 N410 Y453 | K403-E406 VanDerWaalsContact CE-OE1 3.24Å; K403-E406 WeakPolarHBondContact CE-OE1 3.22Å; K403-E406 WeakPolarHBondContact CE-OE2 3.3Å; K403-E406 HydrophobicContact CG-CB 4.22Å; K403-E406 WeakPolarHBondContact CG-OE2 3.46Å; K403-E406 IonicContact NZ-OE1 2.73Å; K403-E406 PolarHBondContact O-N 3.05Å; K403-E406 VanDerWaalsContact O-N 3.11Å; C404-E406 VanDerWaalsContact C-N 3.32Å; C404-E406 PolarHBondContact O-N 3.38Å; E406-L408 PolarHBondContact O-N 3.02Å; E406-A409 PolarHBondContact O-N 3.42Å; E406-N410 WeakPolarHBondContact O-CB 3.16Å; E406-N410 PolarHBondContact O-N 3.37Å; E406-N410 PolarHBondContact O-ND2 2.91Å; E406-Y453 HydrophobicContact CB-CD2 3.86Å; E406-Y453 HydrophobicContact CB-CE2 3.76Å; E406-Y453 HydrophobicContact CB-CG 4.49Å; E406-Y453 HydrophobicContact CG-CD1 4.15Å; E406-Y453 HydrophobicContact CG-CD2 3.87Å; E406-Y453 HydrophobicContact CG-CE1 4Å; E406-Y453 HydrophobicContact CG-CE2 3.69Å; E406-Y453 HydrophobicContact CG-CG 4.1Å |
| 407 | L | 89.7 | Confident | 85.1 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | -179.3 | -65.4 | 174 | 0 | 0 | 0 | 111.8 | Y340 K403 C404 N410 Y411 | Y340-L407 HydrophobicContact CD1-CB 3.79Å; Y340-L407 HydrophobicContact CD1-CD1 3.58Å; Y340-L407 HydrophobicContact CD1-CG 4.32Å; Y340-L407 HydrophobicContact CD2-CD1 3.78Å; Y340-L407 HydrophobicContact CE1-CB 4.06Å; Y340-L407 HydrophobicContact CE1-CD1 3.64Å; Y340-L407 HydrophobicContact CE1-CG 4.5Å; Y340-L407 HydrophobicContact CE2-CD1 3.88Å; Y340-L407 HydrophobicContact CG-CB 4.47Å; Y340-L407 HydrophobicContact CG-CD1 3.65Å; K403-L407 HydrophobicContact CG-CG 4.45Å; K403-L407 PolarHBondContact O-N 3.47Å; K403-L407 VanDerWaalsContact O-N 3.15Å; C404-L407 PolarHBondContact O-N 3.45Å; C404-L407 VanDerWaalsContact O-N 3.17Å; L407-N410 PolarHBondContact O-N 3.31Å; L407-Y411 PolarHBondContact O-N 3.03Å |
| 408 | L | 94.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.9 | -46.2 | 172.6 | -66.3 | 170.9 | 0 | 0 | 0 | 111.1 | V341 C404 E406 N410 Y411 C412 V437 V440 L441 V444 F450 | V341-L408 HydrophobicContact CG1-CD2 4.22Å; V341-L408 HydrophobicContact CG2-CD2 3.65Å; C404-L408 VanDerWaalsContact O-CG 3.28Å; C404-L408 WeakPolarHBondContact O-CG 3.5Å; C404-L408 PolarHBondContact O-N 3.03Å; E406-L408 PolarHBondContact O-N 3.02Å; L408-N410 VanDerWaalsContact C-N 3.34Å; L408-N410 PolarHBondContact O-N 3.05Å; L408-Y411 PolarHBondContact O-N 3.3Å; L408-C412 PolarHBondContact O-N 3.16Å; L408-C412 PolarHBondContact O-SG 2.86Å; L408-V437 HydrophobicContact CB-CG1 3.99Å; L408-V437 HydrophobicContact CD2-CG1 3.68Å; L408-V437 HydrophobicContact CG-CG1 4.37Å; L408-V440 HydrophobicContact CD1-CG1 4.19Å; L408-V440 HydrophobicContact CD2-CB 4.06Å; L408-V440 HydrophobicContact CD2-CG1 3.96Å; L408-L441 HydrophobicContact CD1-CB 4.46Å; L408-L441 HydrophobicContact CD1-CD1 4.3Å; L408-V444 HydrophobicContact CD1-CG2 3.65Å; L408-F450 HydrophobicContact CB-CD2 3.96Å; L408-F450 HydrophobicContact CB-CE2 4.07Å |
| 409 | A | 93.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P405 E406 D413 F450 H454 | P405-A409 WeakPolarHBondContact O-CB 3.4Å; P405-A409 PolarHBondContact O-N 3.08Å; P405-A409 VanDerWaalsContact O-N 3.13Å; E406-A409 PolarHBondContact O-N 3.42Å; A409-D413 PolarHBondContact O-N 3.48Å; A409-F450 HydrophobicContact CB-CD2 3.82Å; A409-F450 HydrophobicContact CB-CE2 4.01Å; A409-H454 HydrophobicContact CB-CB 4.41Å |
| 410 | N | 90.6 | Very high | 88.9 | Confident | 36 Ų | 36 | 26.3 Ų | 26.3 | 19% | 0.193 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.4 | -40.5 | 175.7 | -70.5 | -21.9 | 0 | 0 | 0 | 112.1 | E406 L407 L408 D413 M414 H457 | E406-N410 WeakPolarHBondContact O-CB 3.16Å; E406-N410 PolarHBondContact O-N 3.37Å; E406-N410 PolarHBondContact O-ND2 2.91Å; L407-N410 PolarHBondContact O-N 3.31Å; L408-N410 VanDerWaalsContact C-N 3.34Å; L408-N410 PolarHBondContact O-N 3.05Å; N410-D413 PolarHBondContact O-N 3.39Å; N410-M414 WeakPolarHBondContact O-CG 3.35Å; N410-M414 PolarHBondContact O-N 3.09Å; N410-H457 PolarHBondContact OD1-NE2 2.72Å |
| 411 | Y | 93.7 | Very high | 89.6 | Confident | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67 | -42.8 | 176.6 | -173.4 | -133.3 | 0 | 0 | 0 | 111.6 | E338 V341 L407 L408 D413 M414 L415 L421 K433 V437 | E338-Y411 HydrophobicContact CB-CD2 3.73Å; E338-Y411 HydrophobicContact CB-CE2 3.4Å; E338-Y411 HydrophobicContact CG-CD2 4.31Å; E338-Y411 HydrophobicContact CG-CE2 3.48Å; E338-Y411 VanDerWaalsContact CG-CE2 3.48Å; E338-Y411 PolarHBondContact OE1-OH 3.47Å; V341-Y411 HydrophobicContact CB-CD1 3.93Å; V341-Y411 HydrophobicContact CB-CE1 4.32Å; V341-Y411 HydrophobicContact CG1-CD1 4.01Å; V341-Y411 HydrophobicContact CG1-CE1 4.24Å; V341-Y411 HydrophobicContact CG2-CD1 3.97Å; V341-Y411 HydrophobicContact CG2-CG 4.33Å; L407-Y411 PolarHBondContact O-N 3.03Å; L408-Y411 PolarHBondContact O-N 3.3Å; Y411-D413 VanDerWaalsContact C-N 3.3Å; Y411-D413 PolarHBondContact O-N 3.11Å; Y411-M414 WeakPolarHBondContact O-CB 3.22Å; Y411-M414 PolarHBondContact O-N 2.92Å; Y411-M414 VanDerWaalsContact O-N 3.11Å; Y411-L415 HydrophobicContact CD1-CD1 4.26Å; Y411-L415 HydrophobicContact CE1-CD1 3.93Å; Y411-L415 HydrophobicContact CE2-CD1 4.34Å; Y411-L415 HydrophobicContact CE2-CD2 4.3Å; Y411-L415 HydrophobicContact CE2-CG 4.21Å; Y411-L415 PolarHBondContact O-N 2.75Å; Y411-L415 VanDerWaalsContact O-N 3.14Å; Y411-L421 HydrophobicContact CE2-CD2 4.31Å; Y411-K433 PolarHBondContact OH-NZ 3.42Å; Y411-V437 HydrophobicContact CD1-CG2 3.53Å; Y411-V437 HydrophobicContact CE1-CG2 3.9Å |
| 412 | C | 95 | Very high | 89.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -54.9 | -44.3 | 169.8 | -72 | 0 | 0 | 0 | 0 | 112 | L408 M414 L415 L416 L434 | L408-C412 PolarHBondContact O-N 3.16Å; L408-C412 PolarHBondContact O-SG 2.86Å; C412-M414 VanDerWaalsContact C-N 3.32Å; C412-M414 PolarHBondContact O-N 2.73Å; C412-L415 PolarHBondContact O-N 3.4Å; C412-L416 HydrophobicContact CB-CD1 4.48Å; C412-L416 WeakPolarHBondContact O-CB 3.01Å; C412-L416 VanDerWaalsContact O-CG 3.32Å; C412-L416 WeakPolarHBondContact O-CG 3.35Å; C412-L416 PolarHBondContact O-N 2.89Å; C412-L434 HydrophobicContact CB-CD2 4.18Å |
| 413 | D | 92.6 | Very high | 90.3 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -38.3 | 176.7 | 178.7 | 64.7 | 0 | 0 | 0 | 112.7 | A409 N410 Y411 L415 R417 H457 R461 | A409-D413 PolarHBondContact O-N 3.48Å; N410-D413 PolarHBondContact O-N 3.39Å; Y411-D413 VanDerWaalsContact C-N 3.3Å; Y411-D413 PolarHBondContact O-N 3.11Å; D413-L415 VanDerWaalsContact C-N 3.33Å; D413-L415 PolarHBondContact O-N 3.07Å; D413-R417 WeakPolarHBondContact O-CB 3.3Å; D413-R417 PolarHBondContact O-N 3.02Å; D413-R417 IonicContact OD2-CZ 3.32Å; D413-R417 IonicContact OD2-NE 3.91Å; D413-R417 IonicContact OD2-NH1 2.76Å; D413-R417 PolarHBondContact OD2-NH1 2.7Å; D413-R417 IonicContact OD2-NH2 3.16Å; D413-R417 PolarHBondContact OD2-NH2 3.2Å; D413-H457 HydrophobicContact CB-CB 3.92Å; D413-H457 IonicContact OD1-CG 3Å; D413-R461 IonicContact OD1-CZ 3.7Å; D413-R461 IonicContact OD1-NH1 2.94Å; D413-R461 PolarHBondContact OD1-NH1 3.24Å |
| 414 | M | 91.4 | Very high | 90.6 | Very high | 52 Ų | 52 | 38.3 Ų | 38.3 | 26% | 0.256 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.5 | -38 | 177.7 | -73.6 | 176.4 | 54.1 | 0 | 0 | 112.9 | N410 Y411 C412 T419 L421 | N410-M414 WeakPolarHBondContact O-CG 3.35Å; N410-M414 PolarHBondContact O-N 3.09Å; Y411-M414 WeakPolarHBondContact O-CB 3.22Å; Y411-M414 PolarHBondContact O-N 2.92Å; Y411-M414 VanDerWaalsContact O-N 3.11Å; C412-M414 VanDerWaalsContact C-N 3.32Å; C412-M414 PolarHBondContact O-N 2.73Å; M414-T419 PolarHBondContact O-OG1 3.41Å; M414-L421 HydrophobicContact CB-CD2 4.5Å; M414-L421 HydrophobicContact CE-CD2 4.14Å |
| 415 | L | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.6 | -43.7 | 177.3 | -65.8 | 173 | 0 | 0 | 0 | 111.9 | Y411 C412 D413 L421 S422 L425 I430 K433 L434 | Y411-L415 HydrophobicContact CD1-CD1 4.26Å; Y411-L415 HydrophobicContact CE1-CD1 3.93Å; Y411-L415 HydrophobicContact CE2-CD1 4.34Å; Y411-L415 HydrophobicContact CE2-CD2 4.3Å; Y411-L415 HydrophobicContact CE2-CG 4.21Å; Y411-L415 PolarHBondContact O-N 2.75Å; Y411-L415 VanDerWaalsContact O-N 3.14Å; C412-L415 PolarHBondContact O-N 3.4Å; D413-L415 VanDerWaalsContact C-N 3.33Å; D413-L415 PolarHBondContact O-N 3.07Å; L415-L421 HydrophobicContact CD2-CD2 4.1Å; L415-S422 VanDerWaalsContact O-CB 3.29Å; L415-S422 WeakPolarHBondContact O-CB 3.44Å; L415-L425 HydrophobicContact CD2-CD1 3.92Å; L415-I430 HydrophobicContact CB-CG2 4.35Å; L415-K433 HydrophobicContact CD1-CB 3.88Å; L415-K433 HydrophobicContact CD2-CD 4.12Å; L415-L434 HydrophobicContact CB-CD2 4.32Å; L415-L434 HydrophobicContact CD1-CD2 3.96Å; L415-L434 HydrophobicContact CD1-CG 4.2Å |
| 416 | L | 95.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -81.9 | -16.9 | -175.4 | -68.5 | 169.8 | 0 | 0 | 0 | 114.1 | C412 L434 S467 A468 I472 E473 M476 | C412-L416 HydrophobicContact CB-CD1 4.48Å; C412-L416 WeakPolarHBondContact O-CB 3.01Å; C412-L416 VanDerWaalsContact O-CG 3.32Å; C412-L416 WeakPolarHBondContact O-CG 3.35Å; C412-L416 PolarHBondContact O-N 2.89Å; L416-L434 HydrophobicContact CD1-CD2 4.44Å; L416-L434 HydrophobicContact CD2-CD1 3.69Å; L416-L434 HydrophobicContact CG-CD1 4.22Å; L416-L434 HydrophobicContact CG-CD2 4.29Å; L416-S467 CarbonylContact O-C 3.42Å; L416-S467 WeakPolarHBondContact O-CA 3.46Å; L416-A468 PolarHBondContact O-N 2.86Å; L416-I472 HydrophobicContact CD2-CG2 3.73Å; L416-E473 HydrophobicContact CD2-CG 4.44Å; L416-M476 HydrophobicContact CD1-CG 4.28Å |
| 417 | R | 91.7 | Very high | 91.1 | Very high | 48 Ų | 48 | 45 Ų | 45 | 18% | 0.181 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -92.9 | 147.7 | 175.3 | -178.7 | 175.9 | 62.5 | -143 | -9.6 | 110.6 | D413 T419 S422 R461 I466 | D413-R417 WeakPolarHBondContact O-CB 3.3Å; D413-R417 PolarHBondContact O-N 3.02Å; D413-R417 IonicContact OD2-CZ 3.32Å; D413-R417 IonicContact OD2-NE 3.91Å; D413-R417 IonicContact OD2-NH1 2.76Å; D413-R417 PolarHBondContact OD2-NH1 2.7Å; D413-R417 IonicContact OD2-NH2 3.16Å; D413-R417 PolarHBondContact OD2-NH2 3.2Å; R417-T419 VanDerWaalsContact C-N 3.33Å; R417-T419 HydrophobicContact CB-CG2 4.06Å; R417-T419 HydrophobicContact CG-CG2 4.14Å; R417-T419 WeakPolarHBondContact O-CG2 3.27Å; R417-T419 PolarHBondContact O-N 3.19Å; R417-S422 WeakPolarHBondContact O-CB 3.49Å; R417-S422 PolarHBondContact O-OG 3.21Å; R417-R461 HydrophobicContact CB-CG 4.39Å; R417-I466 CarbonylContact C-O 3.58Å; R417-I466 WeakPolarHBondContact CA-O 3.43Å; R417-I466 HydrophobicContact CG-CB 4.38Å; R417-I466 HydrophobicContact CG-CD1 3.98Å; R417-I466 HydrophobicContact CG-CG1 4.16Å |
| 418 | K | 87.5 | Confident | 91.3 | Very high | 111 Ų | 111 | 52.3 Ų | 52.3 | 48% | 0.483 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -56.4 | 88.3 | 166.3 | -66.5 | 175.5 | -170.1 | 163.8 | 0 | 111 | D465 I466 S467 | K418-D465 PolarHBondContact NZ-O 3Å; K418-I466 WeakPolarHBondContact CG-O 3.43Å; K418-I466 PolarHBondContact N-O 3.24Å; K418-S467 WeakPolarHBondContact CE-O 3.34Å |
| 419 | T | 82.7 | Confident | 91.4 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 10% | 0.104 | 28% | 0.282 | C | S | . | . | trans | -120.3 | 166.2 | 178.8 | 65.4 | 0 | 0 | 0 | 0 | 110.6 | M414 R417 L421 S422 K423 | M414-T419 PolarHBondContact O-OG1 3.41Å; R417-T419 VanDerWaalsContact C-N 3.33Å; R417-T419 HydrophobicContact CB-CG2 4.06Å; R417-T419 HydrophobicContact CG-CG2 4.14Å; R417-T419 WeakPolarHBondContact O-CG2 3.27Å; R417-T419 PolarHBondContact O-N 3.19Å; T419-L421 PolarHBondContact O-N 3.38Å; T419-L421 PolarHBondContact OG1-N 3.06Å; T419-S422 PolarHBondContact N-OG 3.02Å; T419-S422 PolarHBondContact O-N 3.23Å; T419-S422 PolarHBondContact O-OG 3.42Å; T419-S422 PolarHBondContact OG1-N 3.21Å; T419-K423 WeakPolarHBondContact O-CB 3.34Å; T419-K423 VanDerWaalsContact O-CG 3.25Å; T419-K423 WeakPolarHBondContact O-CG 3.37Å; T419-K423 PolarHBondContact O-N 3.07Å | ||
| 420 | P | 84.8 | Confident | 91.5 | Very high | 104 Ų | 104 | 57 Ų | 57 | 68% | 0.675 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25 | 170 | -24.5 | 35.2 | 0 | 0 | 0 | 113.7 | K424 | P420-K424 WeakPolarHBondContact O-CD 3.49Å; P420-K424 VanDerWaalsContact O-CG 3.31Å; P420-K424 WeakPolarHBondContact O-CG 3.22Å |
| 421 | L | 85.6 | Confident | 91.7 | Very high | 35 Ų | 35 | 58.1 Ų | 58.1 | 18% | 0.183 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -54.8 | 175.4 | 177.7 | 63.9 | 0 | 0 | 0 | 110.5 | Y411 M414 L415 T419 K423 K424 L425 | Y411-L421 HydrophobicContact CE2-CD2 4.31Å; M414-L421 HydrophobicContact CB-CD2 4.5Å; M414-L421 HydrophobicContact CE-CD2 4.14Å; L415-L421 HydrophobicContact CD2-CD2 4.1Å; T419-L421 PolarHBondContact O-N 3.38Å; T419-L421 PolarHBondContact OG1-N 3.06Å; L421-K423 PolarHBondContact O-N 2.97Å; L421-K424 WeakPolarHBondContact O-CB 3.23Å; L421-K424 PolarHBondContact O-N 3.39Å; L421-L425 HydrophobicContact CD1-CD1 4.23Å; L421-L425 HydrophobicContact CG-CD1 4.25Å |
| 422 | S | 88.3 | Confident | 91.8 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -61.4 | -30.5 | -178.9 | 77.3 | 0 | 0 | 0 | 0 | 112.6 | L415 R417 T419 K424 L425 | L415-S422 VanDerWaalsContact O-CB 3.29Å; L415-S422 WeakPolarHBondContact O-CB 3.44Å; R417-S422 WeakPolarHBondContact O-CB 3.49Å; R417-S422 PolarHBondContact O-OG 3.21Å; T419-S422 PolarHBondContact N-OG 3.02Å; T419-S422 PolarHBondContact O-N 3.23Å; T419-S422 PolarHBondContact O-OG 3.42Å; T419-S422 PolarHBondContact OG1-N 3.21Å; S422-K424 VanDerWaalsContact C-N 3.26Å; S422-K424 PolarHBondContact O-N 2.7Å; S422-L425 PolarHBondContact O-N 3.45Å |
| 423 | K | 89.7 | Confident | 91.8 | Very high | 167 Ų | 167 | 62.4 Ų | 62.4 | 73% | 0.726 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -70.9 | -15.8 | 175.6 | -73.6 | -179.7 | -178.8 | -168.5 | 0 | 114.8 | T419 L421 | T419-K423 WeakPolarHBondContact O-CB 3.34Å; T419-K423 VanDerWaalsContact O-CG 3.25Å; T419-K423 WeakPolarHBondContact O-CG 3.37Å; T419-K423 PolarHBondContact O-N 3.07Å; L421-K423 PolarHBondContact O-N 2.97Å |
| 424 | K | 92.2 | Very high | 92 | Very high | 174 Ų | 174 | 62.1 Ų | 62.1 | 76% | 0.757 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -94.6 | -10.7 | 178.1 | -72.3 | 174.9 | -179 | -174 | 0 | 112.8 | P420 L421 S422 | P420-K424 WeakPolarHBondContact O-CD 3.49Å; P420-K424 VanDerWaalsContact O-CG 3.31Å; P420-K424 WeakPolarHBondContact O-CG 3.22Å; L421-K424 WeakPolarHBondContact O-CB 3.23Å; L421-K424 PolarHBondContact O-N 3.39Å; S422-K424 VanDerWaalsContact C-N 3.26Å; S422-K424 PolarHBondContact O-N 2.7Å |
| 425 | L | 92.4 | Very high | 92.2 | Very high | 38 Ų | 38 | 64.5 Ų | 64.5 | 20% | 0.199 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -108.6 | 146.7 | -176.7 | -61.4 | 170 | 0 | 0 | 0 | 109.1 | L415 L421 S422 E429 I430 K433 | L415-L425 HydrophobicContact CD2-CD1 3.92Å; L421-L425 HydrophobicContact CD1-CD1 4.23Å; L421-L425 HydrophobicContact CG-CD1 4.25Å; S422-L425 PolarHBondContact O-N 3.45Å; L425-E429 WeakPolarHBondContact CA-OE2 3.45Å; L425-E429 HydrophobicContact CB-CB 4.21Å; L425-E429 HydrophobicContact CD2-CB 4.18Å; L425-I430 HydrophobicContact CB-CD1 4.3Å; L425-I430 HydrophobicContact CB-CG1 3.77Å; L425-I430 HydrophobicContact CD1-CG1 4.22Å; L425-K433 HydrophobicContact CD1-CD 4.09Å |
| 426 | T | 94.2 | Very high | 92.3 | Very high | 75 Ų | 75 | 68.5 Ų | 68.5 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | trans | -74.2 | 160.5 | 167.1 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | E428 E429 I430 | T426-E428 PolarHBondContact O-N 3.19Å; T426-E429 PolarHBondContact N-OE2 3.17Å; T426-E429 PolarHBondContact O-N 3.27Å; T426-E429 VanDerWaalsContact OG1-CG 3.25Å; T426-E429 WeakPolarHBondContact OG1-CG 3.34Å; T426-E429 PolarHBondContact OG1-N 2.96Å; T426-E429 PolarHBondContact OG1-OE2 3.32Å; T426-I430 WeakPolarHBondContact O-CG1 3.47Å; T426-I430 PolarHBondContact O-N 3.23Å | ||
| 427 | S | 93.4 | Very high | 92.3 | Very high | 58 Ų | 58 | 68.4 Ų | 68.4 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -55.2 | -38.1 | 174.1 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | I430 E431 D469 I472 | S427-I430 PolarHBondContact O-N 2.98Å; S427-E431 WeakPolarHBondContact O-CB 3.13Å; S427-E431 PolarHBondContact O-N 3.4Å; S427-D469 PolarHBondContact OG-OD2 3.36Å; S427-I472 WeakPolarHBondContact O-CD1 3.46Å |
| 428 | E | 94.7 | Very high | 92.5 | Very high | 163 Ų | 163 | 66.4 Ų | 66.4 | 76% | 0.762 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.7 | -42.6 | 176.6 | -65.1 | 177.9 | -173 | 0 | 0 | 112.9 | T426 E431 A432 | T426-E428 PolarHBondContact O-N 3.19Å; E428-E431 PolarHBondContact O-N 3.36Å; E428-A432 WeakPolarHBondContact O-CB 3.5Å; E428-A432 PolarHBondContact O-N 2.97Å |
| 429 | E | 95.7 | Very high | 92.8 | Very high | 91 Ų | 91 | 63.5 Ų | 63.5 | 43% | 0.425 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.3 | -36.8 | 176.3 | -72.8 | 167.1 | 137.1 | 0 | 0 | 112.1 | L425 T426 A432 K433 | L425-E429 WeakPolarHBondContact CA-OE2 3.45Å; L425-E429 HydrophobicContact CB-CB 4.21Å; L425-E429 HydrophobicContact CD2-CB 4.18Å; T426-E429 PolarHBondContact N-OE2 3.17Å; T426-E429 PolarHBondContact O-N 3.27Å; T426-E429 VanDerWaalsContact OG1-CG 3.25Å; T426-E429 WeakPolarHBondContact OG1-CG 3.34Å; T426-E429 PolarHBondContact OG1-N 2.96Å; T426-E429 PolarHBondContact OG1-OE2 3.32Å; E429-A432 PolarHBondContact O-N 3.43Å; E429-K433 PolarHBondContact O-N 2.93Å |
| 430 | I | 95 | Very high | 93.4 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -47.8 | 174 | -69.5 | 171.8 | 0 | 0 | 0 | 109.8 | L415 L425 T426 S427 A432 K433 L434 I472 | L415-I430 HydrophobicContact CB-CG2 4.35Å; L425-I430 HydrophobicContact CB-CD1 4.3Å; L425-I430 HydrophobicContact CB-CG1 3.77Å; L425-I430 HydrophobicContact CD1-CG1 4.22Å; T426-I430 WeakPolarHBondContact O-CG1 3.47Å; T426-I430 PolarHBondContact O-N 3.23Å; S427-I430 PolarHBondContact O-N 2.98Å; I430-A432 PolarHBondContact O-N 2.96Å; I430-K433 PolarHBondContact O-N 2.8Å; I430-L434 HydrophobicContact CG2-CD1 3.84Å; I430-L434 HydrophobicContact CG2-CG 4.38Å; I430-L434 WeakPolarHBondContact O-CB 3.33Å; I430-L434 VanDerWaalsContact O-CG 3.28Å; I430-L434 WeakPolarHBondContact O-CG 3.38Å; I430-L434 PolarHBondContact O-N 3.31Å; I430-I472 HydrophobicContact CB-CD1 4.22Å; I430-I472 HydrophobicContact CG2-CD1 4.03Å; I430-I472 HydrophobicContact CG2-CG2 4.31Å |
| 431 | E | 95.9 | Very high | 93.9 | Very high | 59 Ų | 59 | 57.8 Ų | 57.8 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.4 | -46.7 | 176.2 | 169.7 | 170.4 | 163.6 | 0 | 0 | 112 | S427 E428 K433 L434 K435 W479 | S427-E431 WeakPolarHBondContact O-CB 3.13Å; S427-E431 PolarHBondContact O-N 3.4Å; E428-E431 PolarHBondContact O-N 3.36Å; E431-K433 PolarHBondContact O-N 3.49Å; E431-L434 PolarHBondContact O-N 3.47Å; E431-K435 HydrophobicContact CG-CD 4.17Å; E431-K435 WeakPolarHBondContact O-CG 3.49Å; E431-K435 PolarHBondContact O-N 3.47Å; E431-K435 WeakPolarHBondContact OE1-CE 3.42Å; E431-K435 IonicContact OE1-NZ 2.7Å; E431-K435 PolarHBondContact OE1-NZ 2.71Å; E431-W479 HydrophobicContact CB-CH2 4.07Å; E431-W479 HydrophobicContact CG-CH2 3.51Å; E431-W479 HydrophobicContact CG-CZ2 3.86Å; E431-W479 HydrophobicContact CG-CZ3 4.43Å |
| 432 | A | 95.8 | Very high | 94.3 | Very high | 51 Ų | 51 | 61.7 Ų | 61.7 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E428 E429 I430 L434 K435 E436 | E428-A432 WeakPolarHBondContact O-CB 3.5Å; E428-A432 PolarHBondContact O-N 2.97Å; E429-A432 PolarHBondContact O-N 3.43Å; I430-A432 PolarHBondContact O-N 2.96Å; A432-L434 PolarHBondContact O-N 2.87Å; A432-K435 PolarHBondContact O-N 2.94Å; A432-E436 WeakPolarHBondContact O-CG 3.3Å; A432-E436 PolarHBondContact O-N 2.78Å; A432-E436 VanDerWaalsContact O-N 3.09Å |
| 433 | K | 95.1 | Very high | 94.5 | Very high | 42 Ų | 42 | 62.7 Ų | 62.7 | 18% | 0.183 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.4 | -77.7 | 179.9 | 168.8 | -73.8 | 0 | 111.9 | E342 Y411 L415 L425 E429 I430 E431 K435 E436 V437 | E342-K433 IonicContact OE1-NZ 3.6Å; Y411-K433 PolarHBondContact OH-NZ 3.42Å; L415-K433 HydrophobicContact CD1-CB 3.88Å; L415-K433 HydrophobicContact CD2-CD 4.12Å; L425-K433 HydrophobicContact CD1-CD 4.09Å; E429-K433 PolarHBondContact O-N 2.93Å; I430-K433 PolarHBondContact O-N 2.8Å; E431-K433 PolarHBondContact O-N 3.49Å; K433-K435 VanDerWaalsContact C-N 3.34Å; K433-K435 PolarHBondContact O-N 3Å; K433-E436 WeakPolarHBondContact O-CB 3.42Å; K433-E436 PolarHBondContact O-N 3.34Å; K433-V437 WeakPolarHBondContact O-CG2 3.38Å; K433-V437 PolarHBondContact O-N 2.82Å |
| 434 | L | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 176.6 | -72.7 | 169.7 | 0 | 0 | 0 | 111.9 | C412 L415 L416 I430 E431 A432 E436 V437 L438 I472 M476 W479 | C412-L434 HydrophobicContact CB-CD2 4.18Å; L415-L434 HydrophobicContact CB-CD2 4.32Å; L415-L434 HydrophobicContact CD1-CD2 3.96Å; L415-L434 HydrophobicContact CD1-CG 4.2Å; L416-L434 HydrophobicContact CD1-CD2 4.44Å; L416-L434 HydrophobicContact CD2-CD1 3.69Å; L416-L434 HydrophobicContact CG-CD1 4.22Å; L416-L434 HydrophobicContact CG-CD2 4.29Å; I430-L434 HydrophobicContact CG2-CD1 3.84Å; I430-L434 HydrophobicContact CG2-CG 4.38Å; I430-L434 WeakPolarHBondContact O-CB 3.33Å; I430-L434 VanDerWaalsContact O-CG 3.28Å; I430-L434 WeakPolarHBondContact O-CG 3.38Å; I430-L434 PolarHBondContact O-N 3.31Å; E431-L434 PolarHBondContact O-N 3.47Å; A432-L434 PolarHBondContact O-N 2.87Å; L434-E436 VanDerWaalsContact C-N 3.31Å; L434-E436 PolarHBondContact O-N 3.23Å; L434-V437 WeakPolarHBondContact O-CB 3.34Å; L434-V437 PolarHBondContact O-N 3.12Å; L434-L438 WeakPolarHBondContact O-CG 3.23Å; L434-L438 PolarHBondContact O-N 3.46Å; L434-I472 HydrophobicContact CD1-CG2 3.53Å; L434-M476 HydrophobicContact CD2-SD 4.34Å; L434-W479 HydrophobicContact CB-CZ3 4.18Å; L434-W479 HydrophobicContact CD1-CZ3 4.13Å |
| 435 | K | 96.2 | Very high | 94.5 | Very high | 103 Ų | 103 | 49.6 Ų | 49.6 | 45% | 0.448 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.4 | -36.3 | 174.9 | -75.4 | 174.4 | 171.3 | 171 | 0 | 112.5 | E431 A432 K433 L438 L439 | E431-K435 HydrophobicContact CG-CD 4.17Å; E431-K435 WeakPolarHBondContact O-CG 3.49Å; E431-K435 PolarHBondContact O-N 3.47Å; E431-K435 WeakPolarHBondContact OE1-CE 3.42Å; E431-K435 IonicContact OE1-NZ 2.7Å; E431-K435 PolarHBondContact OE1-NZ 2.71Å; A432-K435 PolarHBondContact O-N 2.94Å; K433-K435 VanDerWaalsContact C-N 3.34Å; K433-K435 PolarHBondContact O-N 3Å; K435-L438 PolarHBondContact O-N 2.66Å; K435-L439 PolarHBondContact O-N 3.02Å |
| 436 | E | 95.3 | Very high | 94.4 | Very high | 84 Ų | 84 | 48.6 Ų | 48.6 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 171.9 | -67.5 | 178.3 | 157.2 | 0 | 0 | 112.1 | L345 A432 K433 L434 L438 L439 V440 | L345-E436 HydrophobicContact CD1-CB 3.72Å; L345-E436 HydrophobicContact CD1-CG 4.45Å; L345-E436 HydrophobicContact CD2-CB 3.85Å; L345-E436 HydrophobicContact CG-CB 4.45Å; A432-E436 WeakPolarHBondContact O-CG 3.3Å; A432-E436 PolarHBondContact O-N 2.78Å; A432-E436 VanDerWaalsContact O-N 3.09Å; K433-E436 WeakPolarHBondContact O-CB 3.42Å; K433-E436 PolarHBondContact O-N 3.34Å; L434-E436 VanDerWaalsContact C-N 3.31Å; L434-E436 PolarHBondContact O-N 3.23Å; E436-L438 VanDerWaalsContact C-N 3.27Å; E436-L438 PolarHBondContact O-N 2.75Å; E436-L439 WeakPolarHBondContact O-CB 3.46Å; E436-L439 PolarHBondContact O-N 2.92Å; E436-L439 VanDerWaalsContact O-N 3.17Å; E436-V440 PolarHBondContact O-N 3.37Å |
| 437 | V | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.7 | -42.8 | 173.1 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | V341 L408 Y411 K433 L434 L439 V440 L441 | V341-V437 HydrophobicContact CG1-CG2 4.24Å; L408-V437 HydrophobicContact CB-CG1 3.99Å; L408-V437 HydrophobicContact CD2-CG1 3.68Å; L408-V437 HydrophobicContact CG-CG1 4.37Å; Y411-V437 HydrophobicContact CD1-CG2 3.53Å; Y411-V437 HydrophobicContact CE1-CG2 3.9Å; K433-V437 WeakPolarHBondContact O-CG2 3.38Å; K433-V437 PolarHBondContact O-N 2.82Å; L434-V437 WeakPolarHBondContact O-CB 3.34Å; L434-V437 PolarHBondContact O-N 3.12Å; V437-L439 VanDerWaalsContact C-N 3.31Å; V437-L439 PolarHBondContact O-N 3.16Å; V437-V440 PolarHBondContact O-N 3.02Å; V437-L441 PolarHBondContact O-N 3.46Å |
| 438 | L | 95.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -31.2 | 178.7 | -70.5 | -179.6 | 0 | 0 | 0 | 113 | L434 K435 E436 L441 K442 M476 W479 L480 V483 | L434-L438 WeakPolarHBondContact O-CG 3.23Å; L434-L438 PolarHBondContact O-N 3.46Å; K435-L438 PolarHBondContact O-N 2.66Å; E436-L438 VanDerWaalsContact C-N 3.27Å; E436-L438 PolarHBondContact O-N 2.75Å; L438-L441 HydrophobicContact CD2-CD2 3.83Å; L438-L441 PolarHBondContact O-N 3.41Å; L438-K442 PolarHBondContact O-N 3.46Å; L438-M476 HydrophobicContact CD1-SD 4.45Å; L438-M476 HydrophobicContact CD2-CE 3.84Å; L438-M476 HydrophobicContact CG-CE 4.43Å; L438-W479 HydrophobicContact CD1-CB 3.41Å; L438-W479 VanDerWaalsContact CD1-CB 3.41Å; L438-W479 HydrophobicContact CD1-CD2 4.48Å; L438-W479 HydrophobicContact CD1-CE3 4.24Å; L438-W479 HydrophobicContact CD1-CG 4.21Å; L438-L480 HydrophobicContact CD2-CD2 3.83Å; L438-V483 HydrophobicContact CB-CG2 4.01Å; L438-V483 HydrophobicContact CD1-CG2 4.42Å; L438-V483 HydrophobicContact CD2-CG2 4.27Å; L438-V483 HydrophobicContact CG-CG2 4.47Å |
| 439 | L | 94.3 | Very high | 94 | Very high | 50 Ų | 50 | 35.7 Ų | 35.7 | 26% | 0.262 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 170.5 | 174.8 | 66.3 | 0 | 0 | 0 | 111 | F348 K435 E436 V437 L441 K442 Y443 | F348-L439 HydrophobicContact CD1-CD2 3.86Å; F348-L439 HydrophobicContact CE1-CD2 3.73Å; F348-L439 HydrophobicContact CZ-CD1 4.32Å; F348-L439 HydrophobicContact CZ-CD2 4.31Å; K435-L439 PolarHBondContact O-N 3.02Å; E436-L439 WeakPolarHBondContact O-CB 3.46Å; E436-L439 PolarHBondContact O-N 2.92Å; E436-L439 VanDerWaalsContact O-N 3.17Å; V437-L439 VanDerWaalsContact C-N 3.31Å; V437-L439 PolarHBondContact O-N 3.16Å; L439-L441 VanDerWaalsContact C-N 3.33Å; L439-L441 PolarHBondContact O-N 3.08Å; L439-K442 WeakPolarHBondContact O-CB 3.33Å; L439-K442 PolarHBondContact O-N 2.9Å; L439-Y443 HydrophobicContact CD1-CE2 4.23Å; L439-Y443 VanDerWaalsContact O-CD2 3.23Å; L439-Y443 WeakPolarHBondContact O-CD2 3.41Å; L439-Y443 WeakPolarHBondContact O-CE2 3.24Å |
| 440 | V | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 176.8 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | L344 L345 V377 L408 E436 V437 K442 Y443 | L344-V440 HydrophobicContact CD1-CG1 3.96Å; L345-V440 HydrophobicContact CD2-CG2 3.67Å; L345-V440 HydrophobicContact CG-CG2 4.11Å; V377-V440 HydrophobicContact CG1-CG1 4.41Å; V377-V440 HydrophobicContact CG2-CG1 4.29Å; L408-V440 HydrophobicContact CD1-CG1 4.19Å; L408-V440 HydrophobicContact CD2-CB 4.06Å; L408-V440 HydrophobicContact CD2-CG1 3.96Å; E436-V440 PolarHBondContact O-N 3.37Å; V437-V440 PolarHBondContact O-N 3.02Å; V440-K442 PolarHBondContact O-N 3.07Å; V440-K442 VanDerWaalsContact O-N 3.17Å; V440-Y443 PolarHBondContact O-N 3.46Å |
| 441 | L | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.9 | -28.2 | 179.1 | -174.7 | 61.8 | 0 | 0 | 0 | 113.2 | L408 V437 L438 L439 Y443 V444 K447 F450 L480 V483 M485 | L408-L441 HydrophobicContact CD1-CB 4.46Å; L408-L441 HydrophobicContact CD1-CD1 4.3Å; V437-L441 PolarHBondContact O-N 3.46Å; L438-L441 HydrophobicContact CD2-CD2 3.83Å; L438-L441 PolarHBondContact O-N 3.41Å; L439-L441 VanDerWaalsContact C-N 3.33Å; L439-L441 PolarHBondContact O-N 3.08Å; L441-Y443 PolarHBondContact O-N 3.38Å; L441-V444 HydrophobicContact CD1-CB 4.19Å; L441-V444 HydrophobicContact CD1-CG2 4.25Å; L441-V444 WeakPolarHBondContact O-CB 3.4Å; L441-V444 PolarHBondContact O-N 2.93Å; L441-K447 WeakPolarHBondContact O-CE 3.38Å; L441-F450 HydrophobicContact CD1-CB 3.97Å; L441-F450 HydrophobicContact CD1-CD1 4.06Å; L441-F450 HydrophobicContact CD1-CD2 3.86Å; L441-F450 HydrophobicContact CD1-CE2 4.39Å; L441-F450 HydrophobicContact CD1-CG 3.68Å; L441-F450 HydrophobicContact CD2-CD1 3.91Å; L441-F450 HydrophobicContact CD2-CD2 4.4Å; L441-F450 HydrophobicContact CD2-CE1 3.71Å; L441-F450 HydrophobicContact CD2-CE2 4.19Å; L441-F450 HydrophobicContact CD2-CG 4.27Å; L441-F450 HydrophobicContact CD2-CZ 3.85Å; L441-L480 HydrophobicContact CD2-CD2 3.88Å; L441-V483 HydrophobicContact CD2-CG1 4.39Å; L441-V483 HydrophobicContact CG-CG1 4.39Å; L441-M485 HydrophobicContact CD1-CE 4.28Å; L441-M485 HydrophobicContact CD2-CE 3.69Å; L441-M485 HydrophobicContact CG-CE 3.79Å |
| 442 | K | 93.5 | Very high | 93.4 | Very high | 117 Ų | 117 | 32.4 Ų | 32.4 | 51% | 0.509 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -31.3 | 173.9 | -71 | 175.7 | -175.8 | -175.3 | 0 | 112.6 | L438 L439 V440 V483 | L438-K442 PolarHBondContact O-N 3.46Å; L439-K442 WeakPolarHBondContact O-CB 3.33Å; L439-K442 PolarHBondContact O-N 2.9Å; V440-K442 PolarHBondContact O-N 3.07Å; V440-K442 VanDerWaalsContact O-N 3.17Å; K442-V483 HydrophobicContact CG-CG1 3.8Å |
| 443 | Y | 93.6 | Very high | 93 | Very high | 30 Ų | 30 | 30.8 Ų | 30.8 | 12% | 0.118 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -7.3 | -178.9 | -57.6 | -80.5 | 0 | 0 | 0 | 113.1 | F348 D370 Y373 K374 N378 L439 V440 L441 | F348-Y443 HydrophobicContact CD2-CE2 4.38Å; F348-Y443 AromaticContact CE2-CE2 3.94Å; F348-Y443 HydrophobicContact CE2-CE2 3.94Å; F348-Y443 AromaticContact CE2-CZ 3.87Å; F348-Y443 WeakPolarHBondContact CE2-OH 3.33Å; D370-Y443 HydrophobicContact CB-CE1 3.88Å; D370-Y443 PolarHBondContact OD1-OH 2.97Å; Y373-Y443 HydrophobicContact CD1-CD1 4Å; Y373-Y443 AromaticContact CD1-CD2 3.6Å; Y373-Y443 HydrophobicContact CD1-CD2 3.6Å; Y373-Y443 HydrophobicContact CD1-CE1 4.34Å; Y373-Y443 AromaticContact CD1-CE2 3.96Å; Y373-Y443 HydrophobicContact CD1-CE2 3.96Å; Y373-Y443 AromaticContact CD1-CG 3.62Å; Y373-Y443 HydrophobicContact CD1-CG 3.62Å; Y373-Y443 AromaticContact CE1-CD2 3.56Å; Y373-Y443 HydrophobicContact CE1-CD2 3.56Å; Y373-Y443 HydrophobicContact CE1-CE2 4.03Å; Y373-Y443 AromaticContact CE1-CG 3.97Å; Y373-Y443 HydrophobicContact CE1-CG 3.97Å; K374-Y443 HydrophobicContact CB-CD1 4.3Å; K374-Y443 WeakPolarHBondContact CG-O 3.45Å; N378-Y443 PolarHBondContact ND2-O 3.35Å; L439-Y443 HydrophobicContact CD1-CE2 4.23Å; L439-Y443 VanDerWaalsContact O-CD2 3.23Å; L439-Y443 WeakPolarHBondContact O-CD2 3.41Å; L439-Y443 WeakPolarHBondContact O-CE2 3.24Å; V440-Y443 PolarHBondContact O-N 3.46Å; L441-Y443 PolarHBondContact O-N 3.38Å |
| 444 | V | 92.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.024 | 13% | 0.129 | C | C | . | . | trans | -73.8 | 131.8 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | V377 P405 L408 L441 K447 | V377-V444 HydrophobicContact CG1-CG2 3.83Å; P405-V444 HydrophobicContact CB-CG1 4.14Å; P405-V444 HydrophobicContact CG-CG1 3.66Å; L408-V444 HydrophobicContact CD1-CG2 3.65Å; L441-V444 HydrophobicContact CD1-CB 4.19Å; L441-V444 HydrophobicContact CD1-CG2 4.25Å; L441-V444 WeakPolarHBondContact O-CB 3.4Å; L441-V444 PolarHBondContact O-N 2.93Å; V444-K447 HydrophobicContact CG1-CG 4.37Å | ||
| 445 | Q | 89.8 | Confident | 92.6 | Very high | 61 Ų | 61 | 30.4 Ų | 30.4 | 29% | 0.285 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -78.7 | -45.8 | 177.1 | -71.7 | 175.7 | 7.7 | 0 | 0 | 112.4 | N378 K447 F746 | N378-Q445 HydrophobicContact CB-CG 4.35Å; N378-Q445 WeakPolarHBondContact OD1-CB 3.47Å; N378-Q445 PolarHBondContact OD1-N 2.92Å; Q445-K447 PolarHBondContact O-N 3.43Å; Q445-F746 WeakPolarHBondContact O-CA 3.5Å |
| 446 | N | 89.1 | Confident | 92.1 | Very high | 17 Ų | 17 | 26.9 Ų | 26.9 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | trans | -99.3 | 69.2 | -174 | -65.3 | -18.5 | 0 | 0 | 0 | 110.9 | E401 D448 V449 L747 | E401-N446 PolarHBondContact OE2-ND2 3.36Å; N446-D448 PolarHBondContact O-N 3Å; N446-V449 HydrophobicContact CB-CG2 4.13Å; N446-V449 WeakPolarHBondContact O-CB 3.5Å; N446-V449 PolarHBondContact O-N 3.23Å; N446-L747 PolarHBondContact OD1-N 2.98Å; N446-L747 VanDerWaalsContact OD1-N 3.17Å | ||
| 447 | K | 92.3 | Very high | 91.8 | Very high | 16 Ų | 16 | 24.5 Ų | 24.5 | 7% | 0.07 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.5 | -24.8 | -177.7 | -68.9 | 170.9 | 164.3 | -171.8 | 0 | 112.5 | L441 V444 Q445 V449 F450 M451 V483 M485 N744 M745 | L441-K447 WeakPolarHBondContact O-CE 3.38Å; V444-K447 HydrophobicContact CG1-CG 4.37Å; Q445-K447 PolarHBondContact O-N 3.43Å; K447-V449 VanDerWaalsContact C-N 3.28Å; K447-V449 PolarHBondContact O-N 2.98Å; K447-F450 WeakPolarHBondContact O-CB 3.45Å; K447-F450 PolarHBondContact O-N 2.88Å; K447-M451 WeakPolarHBondContact O-CG 3.41Å; K447-M451 PolarHBondContact O-N 3.01Å; K447-V483 PolarHBondContact NZ-O 3.41Å; K447-M485 HydrophobicContact CB-CE 3.95Å; K447-M485 HydrophobicContact CB-SD 3.92Å; K447-M485 HydrophobicContact CD-CE 3.39Å; K447-M485 HydrophobicContact CD-SD 4.21Å; K447-M485 HydrophobicContact CG-CE 3.71Å; K447-M485 HydrophobicContact CG-SD 4.37Å; K447-N744 VanDerWaalsContact CD-O 3.3Å; K447-N744 WeakPolarHBondContact CD-O 3.42Å; K447-M745 PolarHBondContact N-O 2.82Å |
| 448 | D | 91.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 24.6 Ų | 24.6 | 4% | 0.043 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.9 | -36.9 | 173.9 | 66.1 | -25.6 | 0 | 0 | 0 | 113.3 | N446 M451 R452 Y489 R711 M745 | N446-D448 PolarHBondContact O-N 3Å; D448-M451 PolarHBondContact O-N 3.4Å; D448-R452 PolarHBondContact O-N 3.47Å; D448-Y489 HydrophobicContact CB-CE2 4.5Å; D448-R711 IonicContact OD1-CZ 3.33Å; D448-R711 IonicContact OD1-NE 2.68Å; D448-R711 IonicContact OD1-NH2 3.82Å; D448-R711 PolarHBondContact OD1-NH2 3.24Å; D448-R711 WeakPolarHBondContact OD2-CG 3.31Å; D448-R711 IonicContact OD2-CZ 3.25Å; D448-R711 IonicContact OD2-NE 2.79Å; D448-R711 PolarHBondContact OD2-NE 3.43Å; D448-R711 IonicContact OD2-NH2 3.9Å; D448-R711 PolarHBondContact OD2-NH2 3.37Å; D448-M745 PolarHBondContact N-O 3.22Å |
| 449 | V | 90.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.9 | -49.6 | 173.2 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | L385 P405 N446 K447 M451 R452 Y453 I707 | L385-V449 HydrophobicContact CD2-CG1 3.75Å; L385-V449 HydrophobicContact CD2-CG2 4.32Å; P405-V449 HydrophobicContact CB-CB 3.88Å; P405-V449 HydrophobicContact CB-CG1 3.99Å; P405-V449 HydrophobicContact CG-CB 4.23Å; P405-V449 HydrophobicContact CG-CG1 4.42Å; N446-V449 HydrophobicContact CB-CG2 4.13Å; N446-V449 WeakPolarHBondContact O-CB 3.5Å; N446-V449 PolarHBondContact O-N 3.23Å; K447-V449 VanDerWaalsContact C-N 3.28Å; K447-V449 PolarHBondContact O-N 2.98Å; V449-M451 VanDerWaalsContact C-N 3.33Å; V449-M451 PolarHBondContact O-N 3.08Å; V449-R452 PolarHBondContact O-N 2.74Å; V449-Y453 HydrophobicContact CG1-CD2 3.87Å; V449-Y453 HydrophobicContact CG1-CE2 3.69Å; V449-Y453 VanDerWaalsContact O-CD2 3.26Å; V449-Y453 WeakPolarHBondContact O-CD2 3.43Å; V449-Y453 PolarHBondContact O-N 2.53Å; V449-I707 HydrophobicContact CG2-CD1 4.37Å; V449-I707 HydrophobicContact CG2-CG2 4.4Å |
| 450 | F | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.7 | -48.7 | 175.3 | 171.2 | -86.9 | 0 | 0 | 0 | 110.8 | P405 L408 A409 L441 K447 R452 Y453 H454 M476 L480 | P405-F450 HydrophobicContact CB-CB 3.88Å; P405-F450 WeakPolarHBondContact O-CD2 3.5Å; L408-F450 HydrophobicContact CB-CD2 3.96Å; L408-F450 HydrophobicContact CB-CE2 4.07Å; A409-F450 HydrophobicContact CB-CD2 3.82Å; A409-F450 HydrophobicContact CB-CE2 4.01Å; L441-F450 HydrophobicContact CD1-CB 3.97Å; L441-F450 HydrophobicContact CD1-CD1 4.06Å; L441-F450 HydrophobicContact CD1-CD2 3.86Å; L441-F450 HydrophobicContact CD1-CE2 4.39Å; L441-F450 HydrophobicContact CD1-CG 3.68Å; L441-F450 HydrophobicContact CD2-CD1 3.91Å; L441-F450 HydrophobicContact CD2-CD2 4.4Å; L441-F450 HydrophobicContact CD2-CE1 3.71Å; L441-F450 HydrophobicContact CD2-CE2 4.19Å; L441-F450 HydrophobicContact CD2-CG 4.27Å; L441-F450 HydrophobicContact CD2-CZ 3.85Å; K447-F450 WeakPolarHBondContact O-CB 3.45Å; K447-F450 PolarHBondContact O-N 2.88Å; F450-R452 VanDerWaalsContact C-N 3.3Å; F450-R452 PolarHBondContact O-N 2.94Å; F450-Y453 PolarHBondContact O-N 2.92Å; F450-H454 HydrophobicContact CD1-CB 4.33Å; F450-H454 HydrophobicContact CE1-CB 3.96Å; F450-H454 HydrophobicContact CZ-CB 4.23Å; F450-H454 AromaticContact CZ-ND1 3.83Å; F450-H454 WeakPolarHBondContact O-CB 3.33Å; F450-H454 PolarHBondContact O-N 2.99Å; F450-M476 HydrophobicContact CZ-CE 4.3Å; F450-L480 HydrophobicContact CE1-CD1 4.5Å; F450-L480 HydrophobicContact CE1-CD2 3.58Å; F450-L480 HydrophobicContact CZ-CD2 4.14Å |
| 451 | M | 92.5 | Very high | 90.7 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 3% | 0.034 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.9 | -35.3 | -178 | -70.1 | -54.4 | -71.2 | 0 | 0 | 112.6 | K447 D448 V449 K455 L480 M485 Y489 L493 | K447-M451 WeakPolarHBondContact O-CG 3.41Å; K447-M451 PolarHBondContact O-N 3.01Å; D448-M451 PolarHBondContact O-N 3.4Å; V449-M451 VanDerWaalsContact C-N 3.33Å; V449-M451 PolarHBondContact O-N 3.08Å; M451-K455 WeakPolarHBondContact O-CB 2.84Å; M451-K455 PolarHBondContact O-N 3.43Å; M451-L480 HydrophobicContact CE-CD1 4.35Å; M451-L480 HydrophobicContact SD-CD1 4.3Å; M451-L480 HydrophobicContact SD-CD2 4.43Å; M451-M485 HydrophobicContact CG-SD 3.89Å; M451-M485 HydrophobicContact SD-CB 4.48Å; M451-M485 HydrophobicContact SD-CG 3.94Å; M451-M485 HydrophobicContact SD-SD 3.8Å; M451-Y489 HydrophobicContact CB-CD2 4.16Å; M451-Y489 HydrophobicContact CB-CE2 4.49Å; M451-Y489 HydrophobicContact CB-CG 4.38Å; M451-Y489 HydrophobicContact CE-CG 4.4Å; M451-Y489 HydrophobicContact CG-CD2 3.92Å; M451-Y489 HydrophobicContact CG-CE2 4.5Å; M451-Y489 HydrophobicContact CG-CG 4.37Å; M451-L493 HydrophobicContact CE-CD1 3.75Å; M451-L493 HydrophobicContact CE-CG 4.46Å |
| 452 | R | 87.9 | Confident | 90.6 | Very high | 82 Ų | 82 | 24.4 Ų | 24.4 | 31% | 0.309 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -63.7 | -53.2 | 176.1 | -177.3 | 67.2 | 178.1 | -170.9 | 2.3 | 111.3 | D448 V449 F450 K455 A456 I707 | D448-R452 PolarHBondContact O-N 3.47Å; V449-R452 PolarHBondContact O-N 2.74Å; F450-R452 VanDerWaalsContact C-N 3.3Å; F450-R452 PolarHBondContact O-N 2.94Å; R452-K455 PolarHBondContact O-N 3.02Å; R452-A456 PolarHBondContact O-N 2.79Å; R452-I707 HydrophobicContact CB-CD1 4.11Å; R452-I707 HydrophobicContact CB-CG1 4.15Å; R452-I707 HydrophobicContact CG-CD1 4.04Å; R452-I707 HydrophobicContact CG-CG1 4.01Å |
| 453 | Y | 88.1 | Confident | 90.4 | Very high | 17 Ų | 17 | 19.9 Ų | 19.9 | 7% | 0.067 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 178.9 | -75.4 | -71.3 | 0 | 0 | 0 | 111.9 | E406 V449 F450 K455 A456 H457 | E406-Y453 HydrophobicContact CB-CD2 3.86Å; E406-Y453 HydrophobicContact CB-CE2 3.76Å; E406-Y453 HydrophobicContact CB-CG 4.49Å; E406-Y453 HydrophobicContact CG-CD1 4.15Å; E406-Y453 HydrophobicContact CG-CD2 3.87Å; E406-Y453 HydrophobicContact CG-CE1 4Å; E406-Y453 HydrophobicContact CG-CE2 3.69Å; E406-Y453 HydrophobicContact CG-CG 4.1Å; V449-Y453 HydrophobicContact CG1-CD2 3.87Å; V449-Y453 HydrophobicContact CG1-CE2 3.69Å; V449-Y453 VanDerWaalsContact O-CD2 3.26Å; V449-Y453 WeakPolarHBondContact O-CD2 3.43Å; V449-Y453 PolarHBondContact O-N 2.53Å; F450-Y453 PolarHBondContact O-N 2.92Å; Y453-K455 VanDerWaalsContact C-N 3.31Å; Y453-K455 PolarHBondContact O-N 3.05Å; Y453-A456 PolarHBondContact O-N 3.2Å; Y453-H457 PolarHBondContact O-CD2 3.43Å; Y453-H457 PolarHBondContact O-N 3.46Å |
| 454 | H | 92.3 | Very high | 90 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.019 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.7 | -43.7 | 177.5 | -173.3 | 88.6 | 0 | 0 | 0 | 111.4 | A409 F450 H457 L458 | A409-H454 HydrophobicContact CB-CB 4.41Å; F450-H454 HydrophobicContact CD1-CB 4.33Å; F450-H454 HydrophobicContact CE1-CB 3.96Å; F450-H454 HydrophobicContact CZ-CB 4.23Å; F450-H454 AromaticContact CZ-ND1 3.83Å; F450-H454 WeakPolarHBondContact O-CB 3.33Å; F450-H454 PolarHBondContact O-N 2.99Å; H454-H457 PolarHBondContact O-N 3.27Å; H454-L458 WeakPolarHBondContact O-CB 3.44Å; H454-L458 PolarHBondContact O-N 3.17Å |
| 455 | K | 91 | Very high | 89.8 | Confident | 30 Ų | 30 | 24.6 Ų | 24.6 | 13% | 0.13 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.7 | -178.3 | -179.6 | 178 | 179.1 | 0 | 112.7 | M451 R452 Y453 H457 L458 T459 L493 M496 A535 | M451-K455 WeakPolarHBondContact O-CB 2.84Å; M451-K455 PolarHBondContact O-N 3.43Å; R452-K455 PolarHBondContact O-N 3.02Å; Y453-K455 VanDerWaalsContact C-N 3.31Å; Y453-K455 PolarHBondContact O-N 3.05Å; K455-H457 VanDerWaalsContact C-N 3.33Å; K455-L458 PolarHBondContact O-N 3.26Å; K455-T459 WeakPolarHBondContact O-CB 3.45Å; K455-T459 PolarHBondContact O-N 3.32Å; K455-T459 PolarHBondContact O-OG1 3.38Å; K455-L493 HydrophobicContact CB-CD2 3.98Å; K455-L493 HydrophobicContact CG-CD2 3.94Å; K455-M496 HydrophobicContact CG-SD 4.2Å; K455-A535 WeakPolarHBondContact CE-O 3.42Å; K455-A535 PolarHBondContact NZ-O 3.05Å |
| 456 | A | 85.9 | Confident | 89.8 | Confident | 30 Ų | 30 | 23.4 Ų | 23.4 | 25% | 0.248 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R452 Y453 T459 R460 | R452-A456 PolarHBondContact O-N 2.79Å; Y453-A456 PolarHBondContact O-N 3.2Å; A456-T459 WeakPolarHBondContact O-CB 3.25Å; A456-T459 PolarHBondContact O-N 3.42Å; A456-R460 PolarHBondContact O-N 2.76Å; A456-R460 VanDerWaalsContact O-N 3.11Å |
| 457 | H | 88.6 | Confident | 89.9 | Confident | 33 Ų | 33 | 23 Ų | 23 | 15% | 0.153 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.7 | -44.5 | 175.1 | -67.6 | -43.8 | 0 | 0 | 0 | 112.4 | N410 D413 Y453 H454 K455 T459 R460 R461 | N410-H457 PolarHBondContact OD1-NE2 2.72Å; D413-H457 HydrophobicContact CB-CB 3.92Å; D413-H457 IonicContact OD1-CG 3Å; Y453-H457 PolarHBondContact O-CD2 3.43Å; Y453-H457 PolarHBondContact O-N 3.46Å; H454-H457 PolarHBondContact O-N 3.27Å; K455-H457 VanDerWaalsContact C-N 3.33Å; H457-T459 VanDerWaalsContact C-N 3.35Å; H457-T459 PolarHBondContact O-N 2.85Å; H457-R460 WeakPolarHBondContact O-CB 3.47Å; H457-R460 PolarHBondContact O-N 3.2Å; H457-R461 WeakPolarHBondContact O-CG 2.97Å; H457-R461 PolarHBondContact O-N 3.42Å |
| 458 | L | 92.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 174.6 | 178.5 | 64.5 | 0 | 0 | 0 | 111.3 | H454 K455 R460 R461 L462 E473 L493 M496 F497 | H454-L458 WeakPolarHBondContact O-CB 3.44Å; H454-L458 PolarHBondContact O-N 3.17Å; K455-L458 PolarHBondContact O-N 3.26Å; L458-R460 VanDerWaalsContact C-N 3.27Å; L458-R460 PolarHBondContact O-N 3.45Å; L458-R461 PolarHBondContact O-N 3.49Å; L458-L462 HydrophobicContact CD1-CD1 3.84Å; L458-L462 HydrophobicContact CD1-CD2 4.25Å; L458-L462 HydrophobicContact CD1-CG 3.77Å; L458-L462 HydrophobicContact CD2-CD1 4.36Å; L458-L462 HydrophobicContact CG-CD1 3.84Å; L458-L462 HydrophobicContact CG-CG 4.14Å; L458-L462 WeakPolarHBondContact O-CB 3.37Å; L458-L462 WeakPolarHBondContact O-CG 3.27Å; L458-L462 PolarHBondContact O-N 3.43Å; L458-E473 HydrophobicContact CD1-CG 4.09Å; L458-E473 WeakPolarHBondContact CD1-OE1 3.21Å; L458-L493 HydrophobicContact CD2-CB 4.06Å; L458-L493 HydrophobicContact CD2-CD2 3.74Å; L458-L493 HydrophobicContact CD2-CG 4.31Å; L458-M496 HydrophobicContact CD2-CE 4.06Å; L458-M496 HydrophobicContact CD2-SD 4.2Å; L458-M496 HydrophobicContact CG-CE 4.06Å; L458-F497 HydrophobicContact CD1-CE2 4.07Å; L458-F497 HydrophobicContact CD1-CZ 3.74Å; L458-F497 HydrophobicContact CD2-CE2 4.04Å |
| 459 | T | 89.6 | Confident | 89.9 | Confident | 17 Ų | 17 | 25.6 Ų | 25.6 | 10% | 0.104 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -51.8 | -50.1 | 176.5 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | K455 A456 H457 R461 I463 M496 W536 M577 | K455-T459 WeakPolarHBondContact O-CB 3.45Å; K455-T459 PolarHBondContact O-N 3.32Å; K455-T459 PolarHBondContact O-OG1 3.38Å; A456-T459 WeakPolarHBondContact O-CB 3.25Å; A456-T459 PolarHBondContact O-N 3.42Å; H457-T459 VanDerWaalsContact C-N 3.35Å; H457-T459 PolarHBondContact O-N 2.85Å; T459-R461 PolarHBondContact O-N 3.07Å; T459-I463 HydrophobicContact CG2-CG1 4.42Å; T459-I463 WeakPolarHBondContact O-CB 3.47Å; T459-I463 WeakPolarHBondContact O-CG1 3.18Å; T459-I463 PolarHBondContact O-N 3.01Å; T459-M496 WeakPolarHBondContact OG1-CE 3.39Å; T459-W536 HydrophobicContact CG2-CE3 3.76Å; T459-W536 HydrophobicContact CG2-CZ3 3.85Å; T459-M577 HydrophobicContact CG2-CE 3.44Å; T459-M577 VanDerWaalsContact CG2-CE 3.44Å |
| 460 | R | 85 | Confident | 90 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 9% | 0.087 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 177 | -179.8 | -172 | -167.3 | 107.4 | 18.1 | 112.4 | A456 H457 L458 I463 L464 I466 G690 R691 L692 L694 | A456-R460 PolarHBondContact O-N 2.76Å; A456-R460 VanDerWaalsContact O-N 3.11Å; H457-R460 WeakPolarHBondContact O-CB 3.47Å; H457-R460 PolarHBondContact O-N 3.2Å; L458-R460 VanDerWaalsContact C-N 3.27Å; L458-R460 PolarHBondContact O-N 3.45Å; R460-I463 PolarHBondContact O-N 3.27Å; R460-L464 HydrophobicContact CG-CD1 3.77Å; R460-L464 HydrophobicContact CG-CG 4.49Å; R460-L464 WeakPolarHBondContact O-CB 3.31Å; R460-L464 WeakPolarHBondContact O-CG 3.22Å; R460-L464 PolarHBondContact O-N 3.1Å; R460-I466 HydrophobicContact CG-CD1 4.36Å; R460-G690 PolarHBondContact NH2-O 3.41Å; R460-R691 VanDerWaalsContact NH2-CA 3.27Å; R460-L692 PolarHBondContact NH1-O 2.74Å; R460-L692 PolarHBondContact NH2-O 2.87Å; R460-L694 HydrophobicContact CB-CD1 3.53Å; R460-L694 HydrophobicContact CG-CD1 3.5Å; R460-L694 VanDerWaalsContact CG-CD1 3.5Å |
| 461 | R | 91 | Very high | 90 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | -175.5 | -70.1 | -169.4 | -54.6 | -92.9 | -1.9 | 111.8 | D413 R417 H457 L458 T459 D465 I466 E473 | D413-R461 IonicContact OD1-CZ 3.7Å; D413-R461 IonicContact OD1-NH1 2.94Å; D413-R461 PolarHBondContact OD1-NH1 3.24Å; R417-R461 HydrophobicContact CB-CG 4.39Å; H457-R461 WeakPolarHBondContact O-CG 2.97Å; H457-R461 PolarHBondContact O-N 3.42Å; L458-R461 PolarHBondContact O-N 3.49Å; T459-R461 PolarHBondContact O-N 3.07Å; R461-D465 WeakPolarHBondContact O-CA 3.37Å; R461-D465 PolarHBondContact O-N 3.34Å; R461-I466 HydrophobicContact CB-CG1 4.22Å; R461-I466 HydrophobicContact CG-CD1 4.46Å; R461-I466 HydrophobicContact CG-CG1 4.11Å; R461-I466 PolarHBondContact O-N 2.96Å; R461-I466 VanDerWaalsContact O-N 3.15Å; R461-E473 IonicContact CZ-OE1 2.7Å; R461-E473 IonicContact NE-OE1 2.87Å; R461-E473 PolarHBondContact NE-OE1 3.38Å; R461-E473 IonicContact NH2-OE1 3.95Å; R461-E473 PolarHBondContact NH2-OE1 3.1Å |
| 462 | L | 92 | Very high | 90.1 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 7% | 0.073 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.1 | -39 | 177.6 | -67.1 | -177.3 | 0 | 0 | 0 | 113.3 | L458 M496 F497 I500 K529 W536 | L458-L462 HydrophobicContact CD1-CD1 3.84Å; L458-L462 HydrophobicContact CD1-CD2 4.25Å; L458-L462 HydrophobicContact CD1-CG 3.77Å; L458-L462 HydrophobicContact CD2-CD1 4.36Å; L458-L462 HydrophobicContact CG-CD1 3.84Å; L458-L462 HydrophobicContact CG-CG 4.14Å; L458-L462 WeakPolarHBondContact O-CB 3.37Å; L458-L462 WeakPolarHBondContact O-CG 3.27Å; L458-L462 PolarHBondContact O-N 3.43Å; L462-M496 HydrophobicContact CD1-CB 3.99Å; L462-M496 HydrophobicContact CD1-CE 4.26Å; L462-F497 HydrophobicContact CD2-CD1 4.09Å; L462-F497 HydrophobicContact CD2-CE1 3.78Å; L462-F497 HydrophobicContact CD2-CZ 4.39Å; L462-I500 HydrophobicContact CB-CD1 4.24Å; L462-I500 HydrophobicContact CB-CG1 4.12Å; L462-I500 HydrophobicContact CD1-CG1 4.21Å; L462-I500 HydrophobicContact CD2-CG1 4.48Å; L462-K529 PolarHBondContact O-NZ 3.26Å; L462-W536 HydrophobicContact CB-CH2 3.73Å; L462-W536 HydrophobicContact CB-CZ3 4.39Å; L462-W536 HydrophobicContact CD1-CH2 3.85Å; L462-W536 HydrophobicContact CD1-CZ2 4.24Å; L462-W536 HydrophobicContact CG-CH2 4.47Å |
| 463 | I | 88.5 | Confident | 90.3 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.3 | -43.6 | 178.7 | -66.9 | -67.1 | 0 | 0 | 0 | 111.3 | T459 R460 K529 L531 W536 M577 | T459-I463 HydrophobicContact CG2-CG1 4.42Å; T459-I463 WeakPolarHBondContact O-CB 3.47Å; T459-I463 WeakPolarHBondContact O-CG1 3.18Å; T459-I463 PolarHBondContact O-N 3.01Å; R460-I463 PolarHBondContact O-N 3.27Å; I463-K529 HydrophobicContact CD1-CD 4.18Å; I463-K529 PolarHBondContact O-NZ 3.21Å; I463-L531 HydrophobicContact CD1-CD1 3.49Å; I463-L531 VanDerWaalsContact CD1-CD1 3.49Å; I463-W536 HydrophobicContact CD1-CE3 4.39Å; I463-W536 HydrophobicContact CD1-CH2 4.07Å; I463-W536 HydrophobicContact CD1-CZ3 3.71Å; I463-W536 HydrophobicContact CG1-CH2 4.31Å; I463-W536 HydrophobicContact CG1-CZ3 3.71Å; I463-M577 HydrophobicContact CD1-CE 3.87Å; I463-M577 HydrophobicContact CG1-CE 3.65Å; I463-M577 WeakPolarHBondContact CG2-O 3.44Å |
| 464 | L | 85.6 | Confident | 90.6 | Very high | 22 Ų | 22 | 34.9 Ų | 34.9 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -88 | -5.4 | -175.5 | -57.8 | 179 | 0 | 0 | 0 | 113.9 | R460 I466 N579 I689 L692 | R460-L464 HydrophobicContact CG-CD1 3.77Å; R460-L464 HydrophobicContact CG-CG 4.49Å; R460-L464 WeakPolarHBondContact O-CB 3.31Å; R460-L464 WeakPolarHBondContact O-CG 3.22Å; R460-L464 PolarHBondContact O-N 3.1Å; L464-I466 VanDerWaalsContact C-N 3.34Å; L464-I466 HydrophobicContact CB-CD1 4.09Å; L464-I466 HydrophobicContact CB-CG1 4.06Å; L464-I466 HydrophobicContact CB-CG2 3.9Å; L464-I466 HydrophobicContact CD1-CD1 4.07Å; L464-I466 WeakPolarHBondContact O-CG2 3.19Å; L464-I466 PolarHBondContact O-N 3.33Å; L464-N579 WeakPolarHBondContact CD2-ND2 3.16Å; L464-I689 HydrophobicContact CD1-CG2 4.4Å; L464-I689 HydrophobicContact CD2-CD1 4.33Å; L464-L692 HydrophobicContact CD1-CD1 3.9Å; L464-L692 HydrophobicContact CD2-CD1 3.82Å; L464-L692 HydrophobicContact CG-CD1 4.39Å |
| 465 | D | 88.6 | Confident | 90.7 | Very high | 110 Ų | 110 | 37.3 Ų | 37.3 | 59% | 0.588 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 46.5 | -176.5 | -170.7 | 31.3 | 0 | 0 | 0 | 113.3 | K418 R461 | K418-D465 PolarHBondContact NZ-O 3Å; R461-D465 WeakPolarHBondContact O-CA 3.37Å; R461-D465 PolarHBondContact O-N 3.34Å |
| 466 | I | 89.4 | Confident | 91 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 19% | 0.19 | 20% | 0.198 | C | C | . | . | trans | -112.4 | 15.5 | -174.8 | 60.9 | 175.7 | 0 | 0 | 0 | 113.5 | R417 K418 R460 R461 L464 | R417-I466 CarbonylContact C-O 3.58Å; R417-I466 WeakPolarHBondContact CA-O 3.43Å; R417-I466 HydrophobicContact CG-CB 4.38Å; R417-I466 HydrophobicContact CG-CD1 3.98Å; R417-I466 HydrophobicContact CG-CG1 4.16Å; K418-I466 WeakPolarHBondContact CG-O 3.43Å; K418-I466 PolarHBondContact N-O 3.24Å; R460-I466 HydrophobicContact CG-CD1 4.36Å; R461-I466 HydrophobicContact CB-CG1 4.22Å; R461-I466 HydrophobicContact CG-CD1 4.46Å; R461-I466 HydrophobicContact CG-CG1 4.11Å; R461-I466 PolarHBondContact O-N 2.96Å; R461-I466 VanDerWaalsContact O-N 3.15Å; L464-I466 VanDerWaalsContact C-N 3.34Å; L464-I466 HydrophobicContact CB-CD1 4.09Å; L464-I466 HydrophobicContact CB-CG1 4.06Å; L464-I466 HydrophobicContact CB-CG2 3.9Å; L464-I466 HydrophobicContact CD1-CD1 4.07Å; L464-I466 WeakPolarHBondContact O-CG2 3.19Å; L464-I466 PolarHBondContact O-N 3.33Å | ||
| 467 | S | 92.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 6% | 0.056 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -67.3 | 134.4 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | L416 K418 E473 | L416-S467 CarbonylContact O-C 3.42Å; L416-S467 WeakPolarHBondContact O-CA 3.46Å; K418-S467 WeakPolarHBondContact CE-O 3.34Å; S467-E473 WeakPolarHBondContact CB-OE2 3.39Å; S467-E473 PolarHBondContact OG-OE2 2.93Å |
| 468 | A | 91.3 | Very high | 91.7 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 32% | 0.322 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -68.3 | -42.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L416 | L416-A468 PolarHBondContact O-N 2.86Š|
| 469 | D | 92.4 | Very high | 91.9 | Very high | 39 Ų | 39 | 38.1 Ų | 38.1 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | trans | -149.3 | 118.7 | -178.5 | -172.3 | -37 | 0 | 0 | 0 | 108.3 | S427 E471 I472 E473 | S427-D469 PolarHBondContact OG-OD2 3.36Å; D469-E471 PolarHBondContact OD1-N 2.94Å; D469-I472 HydrophobicContact CB-CB 4.14Å; D469-I472 HydrophobicContact CB-CD1 3.97Å; D469-I472 HydrophobicContact CB-CG1 4.07Å; D469-I472 PolarHBondContact OD1-N 3.19Å; D469-E473 PolarHBondContact O-N 3.39Å | ||
| 470 | S | 91.1 | Very high | 92.2 | Very high | 76 Ų | 76 | 37.3 Ų | 37.3 | 53% | 0.531 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -72.4 | -30.6 | -176.1 | -56.5 | 0 | 0 | 0 | 0 | 112.6 | E473 E474 | S470-E473 PolarHBondContact O-N 3.49Å; S470-E474 PolarHBondContact O-N 3.19Å; S470-E474 VanDerWaalsContact O-N 3.11Å |
| 471 | E | 93.4 | Very high | 92.6 | Very high | 140 Ų | 140 | 41.3 Ų | 41.3 | 65% | 0.654 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -71.2 | -44.7 | -179.6 | -174.8 | 175.8 | 179 | 0 | 0 | 110.3 | D469 E473 E474 N475 | D469-E471 PolarHBondContact OD1-N 2.94Å; E471-E473 PolarHBondContact O-N 3.4Å; E471-E474 PolarHBondContact O-N 3.27Å; E471-N475 WeakPolarHBondContact O-CB 3.26Å; E471-N475 VanDerWaalsContact O-CG 3.31Å; E471-N475 PolarHBondContact O-N 3.17Å; E471-N475 PolarHBondContact O-ND2 3.19Å |
| 472 | I | 95.3 | Very high | 92.6 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -36.5 | 173.2 | -63.6 | -179.3 | 0 | 0 | 0 | 110.8 | L416 S427 I430 L434 D469 N475 M476 W479 | L416-I472 HydrophobicContact CD2-CG2 3.73Å; S427-I472 WeakPolarHBondContact O-CD1 3.46Å; I430-I472 HydrophobicContact CB-CD1 4.22Å; I430-I472 HydrophobicContact CG2-CD1 4.03Å; I430-I472 HydrophobicContact CG2-CG2 4.31Å; L434-I472 HydrophobicContact CD1-CG2 3.53Å; D469-I472 HydrophobicContact CB-CB 4.14Å; D469-I472 HydrophobicContact CB-CD1 3.97Å; D469-I472 HydrophobicContact CB-CG1 4.07Å; D469-I472 PolarHBondContact OD1-N 3.19Å; I472-N475 PolarHBondContact O-N 2.87Å; I472-M476 WeakPolarHBondContact O-CB 3.49Å; I472-M476 PolarHBondContact O-N 2.97Å; I472-W479 HydrophobicContact CG2-CH2 4.4Å; I472-W479 HydrophobicContact CG2-CZ3 4.37Å |
| 473 | E | 92.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69 | -36.3 | 180 | -142.5 | 174.5 | -177.3 | 0 | 0 | 113.1 | L416 L458 R461 S467 D469 S470 E471 F497 | L416-E473 HydrophobicContact CD2-CG 4.44Å; L458-E473 HydrophobicContact CD1-CG 4.09Å; L458-E473 WeakPolarHBondContact CD1-OE1 3.21Å; R461-E473 IonicContact CZ-OE1 2.7Å; R461-E473 IonicContact NE-OE1 2.87Å; R461-E473 PolarHBondContact NE-OE1 3.38Å; R461-E473 IonicContact NH2-OE1 3.95Å; R461-E473 PolarHBondContact NH2-OE1 3.1Å; S467-E473 WeakPolarHBondContact CB-OE2 3.39Å; S467-E473 PolarHBondContact OG-OE2 2.93Å; D469-E473 PolarHBondContact O-N 3.39Å; S470-E473 PolarHBondContact O-N 3.49Å; E471-E473 PolarHBondContact O-N 3.4Å; E473-F497 HydrophobicContact CB-CE1 4.15Å; E473-F497 HydrophobicContact CB-CZ 3.97Å; E473-F497 HydrophobicContact CG-CE1 4.35Å; E473-F497 HydrophobicContact CG-CZ 3.85Å; E473-F497 WeakPolarHBondContact O-CZ 3.09Å |
| 474 | E | 93.9 | Very high | 92.6 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 170.4 | -71 | -171.7 | -155 | 0 | 0 | 111.1 | S470 E471 M476 V477 F497 K501 | S470-E474 PolarHBondContact O-N 3.19Å; S470-E474 VanDerWaalsContact O-N 3.11Å; E471-E474 PolarHBondContact O-N 3.27Å; E474-M476 VanDerWaalsContact C-N 3.28Å; E474-M476 PolarHBondContact O-N 3.41Å; E474-V477 WeakPolarHBondContact O-CB 3.38Å; E474-V477 PolarHBondContact O-N 3.27Å; E474-V477 VanDerWaalsContact O-N 3.08Å; E474-F497 HydrophobicContact CG-CD1 3.81Å; E474-F497 HydrophobicContact CG-CE1 3.91Å; E474-F497 HydrophobicContact CG-CG 4.24Å; E474-F497 HydrophobicContact CG-CZ 4.43Å; E474-K501 VanDerWaalsContact CD-NZ 3.31Å; E474-K501 WeakPolarHBondContact OE1-CE 3.3Å; E474-K501 IonicContact OE1-NZ 2.71Å; E474-K501 PolarHBondContact OE1-NZ 3.2Å; E474-K501 IonicContact OE2-NZ 3.66Å; E474-K501 PolarHBondContact OE2-NZ 3.43Å; E474-K501 VanDerWaalsContact OE2-NZ 3.08Å |
| 475 | N | 95.6 | Very high | 92.8 | Very high | 55 Ų | 55 | 48.8 Ų | 48.8 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -35.7 | 176.7 | -72.3 | -21.1 | 0 | 0 | 0 | 112.7 | E471 I472 V477 E478 W479 | E471-N475 WeakPolarHBondContact O-CB 3.26Å; E471-N475 VanDerWaalsContact O-CG 3.31Å; E471-N475 PolarHBondContact O-N 3.17Å; E471-N475 PolarHBondContact O-ND2 3.19Å; I472-N475 PolarHBondContact O-N 2.87Å; N475-V477 PolarHBondContact O-N 2.91Å; N475-E478 PolarHBondContact O-N 3.17Å; N475-W479 HydrophobicContact CB-CD2 4.42Å; N475-W479 HydrophobicContact CB-CH2 3.98Å; N475-W479 HydrophobicContact CB-CZ2 3.69Å; N475-W479 HydrophobicContact CB-CZ3 4.49Å; N475-W479 VanDerWaalsContact O-CG 3.3Å; N475-W479 PolarHBondContact O-N 3.3Å |
| 476 | M | 95.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.1 | -34.1 | 176 | -174.3 | 65.3 | -174.7 | 0 | 0 | 112.2 | L416 L434 L438 F450 I472 E474 W479 L480 | L416-M476 HydrophobicContact CD1-CG 4.28Å; L434-M476 HydrophobicContact CD2-SD 4.34Å; L438-M476 HydrophobicContact CD1-SD 4.45Å; L438-M476 HydrophobicContact CD2-CE 3.84Å; L438-M476 HydrophobicContact CG-CE 4.43Å; F450-M476 HydrophobicContact CZ-CE 4.3Å; I472-M476 WeakPolarHBondContact O-CB 3.49Å; I472-M476 PolarHBondContact O-N 2.97Å; E474-M476 VanDerWaalsContact C-N 3.28Å; E474-M476 PolarHBondContact O-N 3.41Å; M476-W479 HydrophobicContact CB-CE3 4.47Å; M476-W479 HydrophobicContact SD-CE3 4.07Å; M476-L480 HydrophobicContact CE-CD1 4.4Å; M476-L480 HydrophobicContact CE-CD2 4.14Å; M476-L480 HydrophobicContact CE-CG 4.18Å; M476-L480 HydrophobicContact CG-CD1 4.46Å; M476-L480 WeakPolarHBondContact O-CB 3.13Å; M476-L480 VanDerWaalsContact O-CG 3.23Å; M476-L480 WeakPolarHBondContact O-CG 3.28Å; M476-L480 PolarHBondContact O-N 2.78Å |
| 477 | V | 95.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 177 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | E474 N475 R481 V490 L493 A494 F497 | E474-V477 WeakPolarHBondContact O-CB 3.38Å; E474-V477 PolarHBondContact O-N 3.27Å; E474-V477 VanDerWaalsContact O-N 3.08Å; N475-V477 PolarHBondContact O-N 2.91Å; V477-R481 PolarHBondContact O-N 3.46Å; V477-V490 HydrophobicContact CG1-CG1 3.63Å; V477-L493 HydrophobicContact CG1-CB 4.28Å; V477-L493 HydrophobicContact CG2-CB 4.09Å; V477-A494 HydrophobicContact CG1-CB 4.24Å; V477-F497 HydrophobicContact CG2-CD2 4.16Å; V477-F497 HydrophobicContact CG2-CE2 3.57Å; V477-F497 HydrophobicContact CG2-CZ 4.48Å |
| 478 | E | 94.7 | Very high | 92.7 | Very high | 79 Ų | 79 | 47.6 Ų | 47.6 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.7 | -43 | 176.7 | -66.5 | -58.7 | 140.5 | 0 | 0 | 111.2 | N475 L480 R481 E482 | N475-E478 PolarHBondContact O-N 3.17Å; E478-L480 VanDerWaalsContact C-N 3.31Å; E478-L480 PolarHBondContact O-N 3.49Å; E478-R481 WeakPolarHBondContact O-CA 3.38Å; E478-R481 WeakPolarHBondContact O-CB 2.77Å; E478-R481 PolarHBondContact O-N 2.9Å; E478-R481 IonicContact OE1-CZ 3.38Å; E478-R481 VanDerWaalsContact OE1-CZ 3.32Å; E478-R481 IonicContact OE1-NH1 3.7Å; E478-R481 PolarHBondContact OE1-NH1 3.39Å; E478-R481 IonicContact OE1-NH2 3.11Å; E478-R481 PolarHBondContact OE1-NH2 3.44Å; E478-R481 IonicContact OE2-CZ 2.71Å; E478-R481 IonicContact OE2-NE 3.97Å; E478-R481 IonicContact OE2-NH1 2.7Å; E478-R481 PolarHBondContact OE2-NH1 3.34Å; E478-R481 IonicContact OE2-NH2 3.53Å; E478-R481 PolarHBondContact OE2-NH2 2.94Å; E478-E482 PolarHBondContact O-N 2.83Å; E478-E482 VanDerWaalsContact O-N 3.1Å |
| 479 | W | 96.4 | Very high | 92.6 | Very high | 27 Ų | 27 | 47 Ų | 47 | 10% | 0.102 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.8 | -34.6 | 176.1 | -56.7 | -29.4 | 0 | 0 | 0 | 113 | E431 L434 L438 I472 N475 M476 R481 E482 V483 | E431-W479 HydrophobicContact CB-CH2 4.07Å; E431-W479 HydrophobicContact CG-CH2 3.51Å; E431-W479 HydrophobicContact CG-CZ2 3.86Å; E431-W479 HydrophobicContact CG-CZ3 4.43Å; L434-W479 HydrophobicContact CB-CZ3 4.18Å; L434-W479 HydrophobicContact CD1-CZ3 4.13Å; L438-W479 HydrophobicContact CD1-CB 3.41Å; L438-W479 VanDerWaalsContact CD1-CB 3.41Å; L438-W479 HydrophobicContact CD1-CD2 4.48Å; L438-W479 HydrophobicContact CD1-CE3 4.24Å; L438-W479 HydrophobicContact CD1-CG 4.21Å; I472-W479 HydrophobicContact CG2-CH2 4.4Å; I472-W479 HydrophobicContact CG2-CZ3 4.37Å; N475-W479 HydrophobicContact CB-CD2 4.42Å; N475-W479 HydrophobicContact CB-CH2 3.98Å; N475-W479 HydrophobicContact CB-CZ2 3.69Å; N475-W479 HydrophobicContact CB-CZ3 4.49Å; N475-W479 VanDerWaalsContact O-CG 3.3Å; N475-W479 PolarHBondContact O-N 3.3Å; M476-W479 HydrophobicContact CB-CE3 4.47Å; M476-W479 HydrophobicContact SD-CE3 4.07Å; W479-R481 VanDerWaalsContact C-N 3.28Å; W479-R481 PolarHBondContact O-N 3.47Å; W479-E482 PolarHBondContact O-N 3.18Å; W479-V483 WeakPolarHBondContact O-CG2 3.45Å; W479-V483 PolarHBondContact O-N 2.93Å; W479-V483 VanDerWaalsContact O-N 3.07Å |
| 480 | L | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -36 | 172.4 | -75.3 | 171.9 | 0 | 0 | 0 | 111.8 | L438 L441 F450 M451 M476 E478 V483 M485 L493 | L438-L480 HydrophobicContact CD2-CD2 3.83Å; L441-L480 HydrophobicContact CD2-CD2 3.88Å; F450-L480 HydrophobicContact CE1-CD1 4.5Å; F450-L480 HydrophobicContact CE1-CD2 3.58Å; F450-L480 HydrophobicContact CZ-CD2 4.14Å; M451-L480 HydrophobicContact CE-CD1 4.35Å; M451-L480 HydrophobicContact SD-CD1 4.3Å; M451-L480 HydrophobicContact SD-CD2 4.43Å; M476-L480 HydrophobicContact CE-CD1 4.4Å; M476-L480 HydrophobicContact CE-CD2 4.14Å; M476-L480 HydrophobicContact CE-CG 4.18Å; M476-L480 HydrophobicContact CG-CD1 4.46Å; M476-L480 WeakPolarHBondContact O-CB 3.13Å; M476-L480 VanDerWaalsContact O-CG 3.23Å; M476-L480 WeakPolarHBondContact O-CG 3.28Å; M476-L480 PolarHBondContact O-N 2.78Å; E478-L480 VanDerWaalsContact C-N 3.31Å; E478-L480 PolarHBondContact O-N 3.49Å; L480-V483 PolarHBondContact O-N 3.47Å; L480-M485 HydrophobicContact CB-CB 4.43Å; L480-M485 HydrophobicContact CB-CG 4.01Å; L480-M485 HydrophobicContact CD2-CG 3.97Å; L480-M485 WeakPolarHBondContact O-CB 3.5Å; L480-M485 WeakPolarHBondContact O-CG 3.09Å; L480-M485 PolarHBondContact O-N 3.04Å; L480-M485 VanDerWaalsContact O-N 3.1Å; L480-L493 HydrophobicContact CD1-CD1 4.06Å |
| 481 | R | 93.5 | Very high | 92.8 | Very high | 107 Ų | 107 | 46 Ų | 46 | 40% | 0.404 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62 | -46.1 | 172.9 | -164.6 | -176.6 | -67 | 149.3 | 14.5 | 111.1 | V477 E478 W479 V483 G484 V490 | V477-R481 PolarHBondContact O-N 3.46Å; E478-R481 WeakPolarHBondContact O-CA 3.38Å; E478-R481 WeakPolarHBondContact O-CB 2.77Å; E478-R481 PolarHBondContact O-N 2.9Å; E478-R481 IonicContact OE1-CZ 3.38Å; E478-R481 VanDerWaalsContact OE1-CZ 3.32Å; E478-R481 IonicContact OE1-NH1 3.7Å; E478-R481 PolarHBondContact OE1-NH1 3.39Å; E478-R481 IonicContact OE1-NH2 3.11Å; E478-R481 PolarHBondContact OE1-NH2 3.44Å; E478-R481 IonicContact OE2-CZ 2.71Å; E478-R481 IonicContact OE2-NE 3.97Å; E478-R481 IonicContact OE2-NH1 2.7Å; E478-R481 PolarHBondContact OE2-NH1 3.34Å; E478-R481 IonicContact OE2-NH2 3.53Å; E478-R481 PolarHBondContact OE2-NH2 2.94Å; W479-R481 VanDerWaalsContact C-N 3.28Å; W479-R481 PolarHBondContact O-N 3.47Å; R481-V483 VanDerWaalsContact C-N 3.32Å; R481-V483 PolarHBondContact O-N 3.2Å; R481-G484 PolarHBondContact O-N 3.13Å; R481-V490 HydrophobicContact CB-CG1 4.19Å; R481-V490 HydrophobicContact CB-CG2 4.47Å |
| 482 | E | 92.3 | Very high | 92.8 | Very high | 154 Ų | 154 | 42.8 Ų | 42.8 | 72% | 0.72 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.6 | -32.7 | -179.7 | -66.6 | 177.5 | 172.8 | 0 | 0 | 113.5 | E478 W479 G484 | E478-E482 PolarHBondContact O-N 2.83Å; E478-E482 VanDerWaalsContact O-N 3.1Å; W479-E482 PolarHBondContact O-N 3.18Å; E482-G484 PolarHBondContact O-N 3.12Å |
| 483 | V | 90.5 | Very high | 92.8 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 11% | 0.109 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 0.3 | 176.1 | 173.6 | 0 | 0 | 0 | 0 | 112.6 | L438 L441 K442 K447 W479 L480 R481 M485 | L438-V483 HydrophobicContact CB-CG2 4.01Å; L438-V483 HydrophobicContact CD1-CG2 4.42Å; L438-V483 HydrophobicContact CD2-CG2 4.27Å; L438-V483 HydrophobicContact CG-CG2 4.47Å; L441-V483 HydrophobicContact CD2-CG1 4.39Å; L441-V483 HydrophobicContact CG-CG1 4.39Å; K442-V483 HydrophobicContact CG-CG1 3.8Å; K447-V483 PolarHBondContact NZ-O 3.41Å; W479-V483 WeakPolarHBondContact O-CG2 3.45Å; W479-V483 PolarHBondContact O-N 2.93Å; W479-V483 VanDerWaalsContact O-N 3.07Å; L480-V483 PolarHBondContact O-N 3.47Å; R481-V483 VanDerWaalsContact C-N 3.32Å; R481-V483 PolarHBondContact O-N 3.2Å; V483-M485 HydrophobicContact CG1-CE 4Å |
| 484 | G | 88.8 | Confident | 92.9 | Very high | 36 Ų | 36 | 44 Ų | 44 | 37% | 0.371 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 30 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R481 E482 | R481-G484 PolarHBondContact O-N 3.13Å; E482-G484 PolarHBondContact O-N 3.12Å |
| 485 | M | 91.1 | Very high | 93 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | trans | -66.1 | 143 | 167.6 | -67.3 | -62.3 | 129.7 | 0 | 0 | 110.2 | L441 K447 M451 L480 V483 A487 V490 | L441-M485 HydrophobicContact CD1-CE 4.28Å; L441-M485 HydrophobicContact CD2-CE 3.69Å; L441-M485 HydrophobicContact CG-CE 3.79Å; K447-M485 HydrophobicContact CB-CE 3.95Å; K447-M485 HydrophobicContact CB-SD 3.92Å; K447-M485 HydrophobicContact CD-CE 3.39Å; K447-M485 HydrophobicContact CD-SD 4.21Å; K447-M485 HydrophobicContact CG-CE 3.71Å; K447-M485 HydrophobicContact CG-SD 4.37Å; M451-M485 HydrophobicContact CG-SD 3.89Å; M451-M485 HydrophobicContact SD-CB 4.48Å; M451-M485 HydrophobicContact SD-CG 3.94Å; M451-M485 HydrophobicContact SD-SD 3.8Å; L480-M485 HydrophobicContact CB-CB 4.43Å; L480-M485 HydrophobicContact CB-CG 4.01Å; L480-M485 HydrophobicContact CD2-CG 3.97Å; L480-M485 WeakPolarHBondContact O-CB 3.5Å; L480-M485 WeakPolarHBondContact O-CG 3.09Å; L480-M485 PolarHBondContact O-N 3.04Å; L480-M485 VanDerWaalsContact O-N 3.1Å; V483-M485 HydrophobicContact CG1-CE 4Å; M485-A487 PolarHBondContact O-N 3.27Å; M485-V490 HydrophobicContact CB-CG2 3.89Å | ||
| 486 | P | 87.7 | Confident | 93 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 14% | 0.136 | 22% | 0.22 | C | C | . | . | trans | -52.6 | 132.7 | 175.9 | -25.8 | 31.2 | 0 | 0 | 0 | 112.9 | D488 Y489 V490 M745 | P486-D488 WeakPolarHBondContact CB-OD1 3.38Å; P486-D488 PolarHBondContact O-N 3.08Å; P486-Y489 HydrophobicContact CB-CD2 3.79Å; P486-Y489 HydrophobicContact CB-CE2 4.28Å; P486-Y489 HydrophobicContact CB-CG 4.46Å; P486-Y489 HydrophobicContact CG-CD2 3.68Å; P486-Y489 HydrophobicContact CG-CE2 3.9Å; P486-Y489 PolarHBondContact O-N 3Å; P486-V490 PolarHBondContact O-N 2.73Å; P486-M745 HydrophobicContact CB-CG 4.41Å; P486-M745 HydrophobicContact CG-CB 4.48Å; P486-M745 HydrophobicContact CG-CG 3.46Å; P486-M745 VanDerWaalsContact CG-CG 3.46Å; P486-M745 HydrophobicContact CG-SD 4.39Å | ||
| 487 | A | 90.2 | Very high | 92.9 | Very high | 62 Ų | 62 | 43 Ų | 43 | 51% | 0.512 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.8 | -32.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M485 Y489 V490 N491 | M485-A487 PolarHBondContact O-N 3.27Å; A487-Y489 VanDerWaalsContact C-N 3.32Å; A487-Y489 PolarHBondContact O-N 3.45Å; A487-V490 PolarHBondContact O-N 2.89Å; A487-N491 VanDerWaalsContact O-CB 3.22Å; A487-N491 WeakPolarHBondContact O-CB 3.48Å; A487-N491 PolarHBondContact O-N 2.7Å; A487-N491 PolarHBondContact O-ND2 2.89Å |
| 488 | D | 88.6 | Confident | 92.9 | Very high | 47 Ų | 47 | 47.5 Ų | 47.5 | 25% | 0.251 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.7 | -31.8 | 178.7 | 72.3 | -59.9 | 0 | 0 | 0 | 112.9 | P486 K492 R714 | P486-D488 WeakPolarHBondContact CB-OD1 3.38Å; P486-D488 PolarHBondContact O-N 3.08Å; D488-K492 WeakPolarHBondContact O-CD 3.48Å; D488-K492 VanDerWaalsContact O-CG 3.27Å; D488-K492 WeakPolarHBondContact O-CG 3.16Å; D488-K492 PolarHBondContact O-N 3.33Å; D488-K492 IonicContact OD2-NZ 2.64Å; D488-R714 IonicContact OD2-CZ 3.84Å; D488-R714 IonicContact OD2-NH2 3.45Å; D488-R714 PolarHBondContact OD2-NH2 3.33Å |
| 489 | Y | 89.9 | Confident | 92.9 | Very high | 25 Ų | 25 | 44 Ų | 44 | 10% | 0.098 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.2 | -48.5 | 172.9 | -65.7 | -40.5 | 0 | 0 | 0 | 111.2 | D448 M451 P486 A487 N491 K492 L493 L710 M745 | D448-Y489 HydrophobicContact CB-CE2 4.5Å; M451-Y489 HydrophobicContact CB-CD2 4.16Å; M451-Y489 HydrophobicContact CB-CE2 4.49Å; M451-Y489 HydrophobicContact CB-CG 4.38Å; M451-Y489 HydrophobicContact CE-CG 4.4Å; M451-Y489 HydrophobicContact CG-CD2 3.92Å; M451-Y489 HydrophobicContact CG-CE2 4.5Å; M451-Y489 HydrophobicContact CG-CG 4.37Å; P486-Y489 HydrophobicContact CB-CD2 3.79Å; P486-Y489 HydrophobicContact CB-CE2 4.28Å; P486-Y489 HydrophobicContact CB-CG 4.46Å; P486-Y489 HydrophobicContact CG-CD2 3.68Å; P486-Y489 HydrophobicContact CG-CE2 3.9Å; P486-Y489 PolarHBondContact O-N 3Å; A487-Y489 VanDerWaalsContact C-N 3.32Å; A487-Y489 PolarHBondContact O-N 3.45Å; Y489-N491 VanDerWaalsContact C-N 3.34Å; Y489-N491 PolarHBondContact O-N 2.66Å; Y489-K492 WeakPolarHBondContact O-CB 3.43Å; Y489-K492 PolarHBondContact O-N 2.83Å; Y489-K492 VanDerWaalsContact O-N 3.17Å; Y489-L493 PolarHBondContact O-N 3.48Å; Y489-L710 HydrophobicContact CE1-CD2 4.16Å; Y489-L710 WeakPolarHBondContact OH-CD2 3.35Å; Y489-M745 HydrophobicContact CE2-CE 4.15Å; Y489-M745 WeakPolarHBondContact OH-CE 3.48Å |
| 490 | V | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | -179.6 | 177.6 | 0 | 0 | 0 | 0 | 111 | V477 R481 M485 P486 A487 K492 L493 A494 | V477-V490 HydrophobicContact CG1-CG1 3.63Å; R481-V490 HydrophobicContact CB-CG1 4.19Å; R481-V490 HydrophobicContact CB-CG2 4.47Å; M485-V490 HydrophobicContact CB-CG2 3.89Å; P486-V490 PolarHBondContact O-N 2.73Å; A487-V490 PolarHBondContact O-N 2.89Å; V490-K492 VanDerWaalsContact C-N 3.28Å; V490-K492 PolarHBondContact O-N 3.3Å; V490-L493 PolarHBondContact O-N 2.94Å; V490-L493 VanDerWaalsContact O-N 3.08Å; V490-A494 PolarHBondContact O-N 3.31Å |
| 491 | N | 94.1 | Very high | 92.8 | Very high | 94 Ų | 94 | 48.2 Ų | 48.2 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.7 | -33.9 | 178.8 | -70.7 | -17.2 | 0 | 0 | 0 | 112.6 | A487 Y489 R495 | A487-N491 VanDerWaalsContact O-CB 3.22Å; A487-N491 WeakPolarHBondContact O-CB 3.48Å; A487-N491 PolarHBondContact O-N 2.7Å; A487-N491 PolarHBondContact O-ND2 2.89Å; Y489-N491 VanDerWaalsContact C-N 3.34Å; Y489-N491 PolarHBondContact O-N 2.66Å; N491-R495 VanDerWaalsContact O-CB 3.29Å; N491-R495 WeakPolarHBondContact O-CB 3.33Å; N491-R495 PolarHBondContact O-N 3.01Å |
| 492 | K | 93.3 | Very high | 92.8 | Very high | 73 Ų | 73 | 45.9 Ų | 45.9 | 32% | 0.317 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66 | -41.9 | 173.7 | -73.8 | 166.9 | -175.3 | 161.4 | 0 | 111.2 | D488 Y489 V490 R495 M496 | D488-K492 WeakPolarHBondContact O-CD 3.48Å; D488-K492 VanDerWaalsContact O-CG 3.27Å; D488-K492 WeakPolarHBondContact O-CG 3.16Å; D488-K492 PolarHBondContact O-N 3.33Å; D488-K492 IonicContact OD2-NZ 2.64Å; Y489-K492 WeakPolarHBondContact O-CB 3.43Å; Y489-K492 PolarHBondContact O-N 2.83Å; Y489-K492 VanDerWaalsContact O-N 3.17Å; V490-K492 VanDerWaalsContact C-N 3.28Å; V490-K492 PolarHBondContact O-N 3.3Å; K492-R495 PolarHBondContact O-N 2.93Å; K492-M496 VanDerWaalsContact O-CG 3.32Å; K492-M496 WeakPolarHBondContact O-CG 3.48Å; K492-M496 PolarHBondContact O-N 3.38Å; K492-M496 VanDerWaalsContact O-N 3.07Å |
| 493 | L | 95.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.6 | -47.5 | 176.4 | -55.3 | -175.4 | 0 | 0 | 0 | 111.1 | M451 K455 L458 V477 L480 Y489 V490 R495 M496 F497 | M451-L493 HydrophobicContact CE-CD1 3.75Å; M451-L493 HydrophobicContact CE-CG 4.46Å; K455-L493 HydrophobicContact CB-CD2 3.98Å; K455-L493 HydrophobicContact CG-CD2 3.94Å; L458-L493 HydrophobicContact CD2-CB 4.06Å; L458-L493 HydrophobicContact CD2-CD2 3.74Å; L458-L493 HydrophobicContact CD2-CG 4.31Å; V477-L493 HydrophobicContact CG1-CB 4.28Å; V477-L493 HydrophobicContact CG2-CB 4.09Å; L480-L493 HydrophobicContact CD1-CD1 4.06Å; Y489-L493 PolarHBondContact O-N 3.48Å; V490-L493 PolarHBondContact O-N 2.94Å; V490-L493 VanDerWaalsContact O-N 3.08Å; L493-R495 VanDerWaalsContact C-N 3.26Å; L493-R495 PolarHBondContact O-N 3.32Å; L493-M496 HydrophobicContact CD2-SD 4.08Å; L493-M496 VanDerWaalsContact O-CB 3.32Å; L493-M496 WeakPolarHBondContact O-CB 3.21Å; L493-M496 PolarHBondContact O-N 2.8Å; L493-F497 VanDerWaalsContact O-CD2 3.32Å; L493-F497 WeakPolarHBondContact O-CD2 3.33Å; L493-F497 PolarHBondContact O-N 3.1Å |
| 494 | A | 95 | Very high | 92.9 | Very high | 37 Ų | 37 | 43 Ų | 43 | 31% | 0.306 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.9 | -40.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V477 V490 M496 F497 Q498 | V477-A494 HydrophobicContact CG1-CB 4.24Å; V490-A494 PolarHBondContact O-N 3.31Å; A494-M496 VanDerWaalsContact C-N 3.31Å; A494-M496 PolarHBondContact O-N 3.42Å; A494-F497 PolarHBondContact O-N 3.08Å; A494-Q498 PolarHBondContact O-N 3.07Å; A494-Q498 VanDerWaalsContact O-N 3.15Å |
| 495 | R | 95.5 | Very high | 93.1 | Very high | 88 Ų | 88 | 46.2 Ų | 46.2 | 33% | 0.332 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.4 | -33.7 | 175.5 | -173.1 | 66 | -144.7 | -172.9 | 1.4 | 112.8 | N491 K492 L493 Q498 D499 A535 | N491-R495 VanDerWaalsContact O-CB 3.29Å; N491-R495 WeakPolarHBondContact O-CB 3.33Å; N491-R495 PolarHBondContact O-N 3.01Å; K492-R495 PolarHBondContact O-N 2.93Å; L493-R495 VanDerWaalsContact C-N 3.26Å; L493-R495 PolarHBondContact O-N 3.32Å; R495-Q498 PolarHBondContact O-N 2.99Å; R495-D499 IonicContact CZ-OD1 3.82Å; R495-D499 VanDerWaalsContact CZ-OD1 3.24Å; R495-D499 IonicContact NE-OD1 2.7Å; R495-D499 PolarHBondContact NE-OD1 3.08Å; R495-D499 IonicContact NH2-OD1 3.73Å; R495-D499 PolarHBondContact NH2-OD1 2.68Å; R495-D499 VanDerWaalsContact O-CG 3.24Å; R495-D499 PolarHBondContact O-N 3.08Å; R495-A535 HydrophobicContact CB-CB 3.93Å; R495-A535 HydrophobicContact CG-CB 3.74Å |
| 496 | M | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 175.1 | -67.2 | 166.9 | 64 | 0 | 0 | 111.5 | K455 L458 T459 L462 K492 L493 A494 D499 I500 A535 W536 | K455-M496 HydrophobicContact CG-SD 4.2Å; L458-M496 HydrophobicContact CD2-CE 4.06Å; L458-M496 HydrophobicContact CD2-SD 4.2Å; L458-M496 HydrophobicContact CG-CE 4.06Å; T459-M496 WeakPolarHBondContact OG1-CE 3.39Å; L462-M496 HydrophobicContact CD1-CB 3.99Å; L462-M496 HydrophobicContact CD1-CE 4.26Å; K492-M496 VanDerWaalsContact O-CG 3.32Å; K492-M496 WeakPolarHBondContact O-CG 3.48Å; K492-M496 PolarHBondContact O-N 3.38Å; K492-M496 VanDerWaalsContact O-N 3.07Å; L493-M496 HydrophobicContact CD2-SD 4.08Å; L493-M496 VanDerWaalsContact O-CB 3.32Å; L493-M496 WeakPolarHBondContact O-CB 3.21Å; L493-M496 PolarHBondContact O-N 2.8Å; A494-M496 VanDerWaalsContact C-N 3.31Å; A494-M496 PolarHBondContact O-N 3.42Å; M496-D499 PolarHBondContact O-N 2.62Å; M496-I500 WeakPolarHBondContact O-CG1 3.08Å; M496-I500 PolarHBondContact O-N 3.45Å; M496-I500 VanDerWaalsContact O-N 3.12Å; M496-A535 HydrophobicContact CG-CB 4.28Å; M496-W536 HydrophobicContact CB-CD2 4.48Å; M496-W536 HydrophobicContact CB-CH2 4.41Å; M496-W536 HydrophobicContact CB-CZ2 3.71Å; M496-W536 HydrophobicContact CE-CD2 3.98Å; M496-W536 HydrophobicContact CE-CE3 3.71Å; M496-W536 HydrophobicContact CE-CH2 4.04Å; M496-W536 HydrophobicContact CE-CZ2 4.29Å; M496-W536 HydrophobicContact CE-CZ3 3.74Å; M496-W536 HydrophobicContact CG-CD2 3.93Å; M496-W536 HydrophobicContact CG-CG 4.13Å; M496-W536 HydrophobicContact CG-CZ2 4.09Å |
| 497 | F | 94.9 | Very high | 93.4 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 9% | 0.088 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 174.2 | -73.7 | -82.7 | 0 | 0 | 0 | 112.3 | L458 L462 E473 E474 V477 L493 A494 D499 I500 K501 | L458-F497 HydrophobicContact CD1-CE2 4.07Å; L458-F497 HydrophobicContact CD1-CZ 3.74Å; L458-F497 HydrophobicContact CD2-CE2 4.04Å; L462-F497 HydrophobicContact CD2-CD1 4.09Å; L462-F497 HydrophobicContact CD2-CE1 3.78Å; L462-F497 HydrophobicContact CD2-CZ 4.39Å; E473-F497 HydrophobicContact CB-CE1 4.15Å; E473-F497 HydrophobicContact CB-CZ 3.97Å; E473-F497 HydrophobicContact CG-CE1 4.35Å; E473-F497 HydrophobicContact CG-CZ 3.85Å; E473-F497 WeakPolarHBondContact O-CZ 3.09Å; E474-F497 HydrophobicContact CG-CD1 3.81Å; E474-F497 HydrophobicContact CG-CE1 3.91Å; E474-F497 HydrophobicContact CG-CG 4.24Å; E474-F497 HydrophobicContact CG-CZ 4.43Å; V477-F497 HydrophobicContact CG2-CD2 4.16Å; V477-F497 HydrophobicContact CG2-CE2 3.57Å; V477-F497 HydrophobicContact CG2-CZ 4.48Å; L493-F497 VanDerWaalsContact O-CD2 3.32Å; L493-F497 WeakPolarHBondContact O-CD2 3.33Å; L493-F497 PolarHBondContact O-N 3.1Å; A494-F497 PolarHBondContact O-N 3.08Å; F497-D499 VanDerWaalsContact C-N 3.31Å; F497-D499 PolarHBondContact O-N 3.25Å; F497-I500 PolarHBondContact O-N 3.24Å; F497-K501 PolarHBondContact O-N 2.96Å |
| 498 | Q | 95.1 | Very high | 93.6 | Very high | 100 Ų | 100 | 49.4 Ų | 49.4 | 47% | 0.467 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 176.3 | -171 | 177.7 | 16.4 | 0 | 0 | 112 | A494 R495 I500 K501 V502 | A494-Q498 PolarHBondContact O-N 3.07Å; A494-Q498 VanDerWaalsContact O-N 3.15Å; R495-Q498 PolarHBondContact O-N 2.99Å; Q498-I500 VanDerWaalsContact C-N 3.31Å; Q498-I500 PolarHBondContact O-N 2.91Å; Q498-K501 PolarHBondContact O-N 3.06Å; Q498-V502 HydrophobicContact CG-CG2 4.45Å; Q498-V502 WeakPolarHBondContact O-CB 3.39Å; Q498-V502 VanDerWaalsContact O-CG2 3.28Å; Q498-V502 WeakPolarHBondContact O-CG2 3.29Å; Q498-V502 PolarHBondContact O-N 3.22Å |
| 499 | D | 95.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -33.8 | 177.4 | -69 | -16.6 | 0 | 0 | 0 | 112.2 | R495 M496 F497 S503 L531 N532 W536 | R495-D499 IonicContact CZ-OD1 3.82Å; R495-D499 VanDerWaalsContact CZ-OD1 3.24Å; R495-D499 IonicContact NE-OD1 2.7Å; R495-D499 PolarHBondContact NE-OD1 3.08Å; R495-D499 IonicContact NH2-OD1 3.73Å; R495-D499 PolarHBondContact NH2-OD1 2.68Å; R495-D499 VanDerWaalsContact O-CG 3.24Å; R495-D499 PolarHBondContact O-N 3.08Å; M496-D499 PolarHBondContact O-N 2.62Å; F497-D499 VanDerWaalsContact C-N 3.31Å; F497-D499 PolarHBondContact O-N 3.25Å; D499-S503 WeakPolarHBondContact O-CB 3.13Å; D499-S503 PolarHBondContact O-N 3.24Å; D499-S503 PolarHBondContact O-OG 2.95Å; D499-L531 HydrophobicContact CB-CD2 4.17Å; D499-N532 WeakPolarHBondContact OD2-CB 3.45Å; D499-N532 PolarHBondContact OD2-N 3.03Å; D499-W536 PolarHBondContact OD2-NE1 3.42Å; D499-W536 VanDerWaalsContact OD2-NE1 3.13Å |
| 500 | I | 94.4 | Very high | 93.8 | Very high | 19 Ų | 19 | 47.8 Ų | 47.8 | 10% | 0.097 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66 | -49.9 | 173.4 | -65.6 | -59.6 | 0 | 0 | 0 | 110.9 | L462 M496 F497 Q498 V502 S503 E504 K529 L531 W536 | L462-I500 HydrophobicContact CB-CD1 4.24Å; L462-I500 HydrophobicContact CB-CG1 4.12Å; L462-I500 HydrophobicContact CD1-CG1 4.21Å; L462-I500 HydrophobicContact CD2-CG1 4.48Å; M496-I500 WeakPolarHBondContact O-CG1 3.08Å; M496-I500 PolarHBondContact O-N 3.45Å; M496-I500 VanDerWaalsContact O-N 3.12Å; F497-I500 PolarHBondContact O-N 3.24Å; Q498-I500 VanDerWaalsContact C-N 3.31Å; Q498-I500 PolarHBondContact O-N 2.91Å; I500-V502 VanDerWaalsContact C-N 3.34Å; I500-V502 PolarHBondContact O-N 3.33Å; I500-S503 WeakPolarHBondContact O-CA 3.36Å; I500-S503 WeakPolarHBondContact O-CB 3.32Å; I500-S503 PolarHBondContact O-N 3.4Å; I500-E504 PolarHBondContact O-N 2.95Å; I500-K529 HydrophobicContact CD1-CD 4.15Å; I500-L531 HydrophobicContact CD1-CD2 4.16Å; I500-W536 HydrophobicContact CD1-CH2 3.85Å; I500-W536 HydrophobicContact CD1-CZ2 3.9Å; I500-W536 HydrophobicContact CG1-CH2 4.18Å; I500-W536 HydrophobicContact CG1-CZ2 4Å |
| 501 | K | 93.8 | Very high | 93.6 | Very high | 97 Ų | 97 | 50.7 Ų | 50.7 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 177.7 | -67.1 | 178.8 | -177.4 | 176.7 | 0 | 111.6 | E474 F497 Q498 S503 E504 D505 | E474-K501 VanDerWaalsContact CD-NZ 3.31Å; E474-K501 WeakPolarHBondContact OE1-CE 3.3Å; E474-K501 IonicContact OE1-NZ 2.71Å; E474-K501 PolarHBondContact OE1-NZ 3.2Å; E474-K501 IonicContact OE2-NZ 3.66Å; E474-K501 PolarHBondContact OE2-NZ 3.43Å; E474-K501 VanDerWaalsContact OE2-NZ 3.08Å; F497-K501 PolarHBondContact O-N 2.96Å; Q498-K501 PolarHBondContact O-N 3.06Å; K501-S503 VanDerWaalsContact C-N 3.3Å; K501-S503 PolarHBondContact O-N 3.17Å; K501-E504 WeakPolarHBondContact O-CB 3.5Å; K501-E504 PolarHBondContact O-N 3.43Å; K501-E504 VanDerWaalsContact O-N 3.17Å; K501-D505 PolarHBondContact O-N 3.09Å |
| 502 | V | 93.8 | Very high | 93.4 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 35% | 0.352 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 112 | Q498 I500 E504 D505 L506 | Q498-V502 HydrophobicContact CG-CG2 4.45Å; Q498-V502 WeakPolarHBondContact O-CB 3.39Å; Q498-V502 VanDerWaalsContact O-CG2 3.28Å; Q498-V502 WeakPolarHBondContact O-CG2 3.29Å; Q498-V502 PolarHBondContact O-N 3.22Å; I500-V502 VanDerWaalsContact C-N 3.34Å; I500-V502 PolarHBondContact O-N 3.33Å; V502-E504 VanDerWaalsContact C-N 3.33Å; V502-D505 PolarHBondContact O-N 3Å; V502-L506 HydrophobicContact CG1-CD1 4.07Å; V502-L506 HydrophobicContact CG1-CG 4.45Å; V502-L506 WeakPolarHBondContact O-CG 3.23Å; V502-L506 PolarHBondContact O-N 3.25Å |
| 503 | S | 93.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.1 | -36.2 | 176.1 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | D499 I500 K501 L506 N507 I530 | D499-S503 WeakPolarHBondContact O-CB 3.13Å; D499-S503 PolarHBondContact O-N 3.24Å; D499-S503 PolarHBondContact O-OG 2.95Å; I500-S503 WeakPolarHBondContact O-CA 3.36Å; I500-S503 WeakPolarHBondContact O-CB 3.32Å; I500-S503 PolarHBondContact O-N 3.4Å; K501-S503 VanDerWaalsContact C-N 3.3Å; K501-S503 PolarHBondContact O-N 3.17Å; S503-L506 PolarHBondContact O-N 3.37Å; S503-N507 PolarHBondContact O-N 3.42Å; S503-N507 PolarHBondContact O-ND2 3.37Å; S503-I530 PolarHBondContact OG-N 3.38Å; S503-I530 PolarHBondContact OG-O 3.45Å |
| 504 | E | 92.5 | Very high | 92.7 | Very high | 109 Ų | 109 | 54 Ų | 54 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 175.8 | -69.3 | 170.6 | 177.8 | 0 | 0 | 111.5 | I500 K501 V502 L506 N507 Q508 | I500-E504 PolarHBondContact O-N 2.95Å; K501-E504 WeakPolarHBondContact O-CB 3.5Å; K501-E504 PolarHBondContact O-N 3.43Å; K501-E504 VanDerWaalsContact O-N 3.17Å; V502-E504 VanDerWaalsContact C-N 3.33Å; E504-L506 PolarHBondContact O-N 3.02Å; E504-N507 WeakPolarHBondContact O-CB 3.32Å; E504-N507 PolarHBondContact O-N 3.19Å; E504-Q508 WeakPolarHBondContact O-CG 3.32Å; E504-Q508 PolarHBondContact O-N 3.34Å; E504-Q508 VanDerWaalsContact O-N 3.12Å |
| 505 | D | 93.5 | Very high | 91.9 | Very high | 103 Ų | 103 | 60.4 Ų | 60.4 | 55% | 0.551 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | 175.3 | -63.3 | -27.1 | 0 | 0 | 0 | 111.7 | K501 V502 N507 Q508 A509 | K501-D505 PolarHBondContact O-N 3.09Å; V502-D505 PolarHBondContact O-N 3Å; D505-N507 VanDerWaalsContact C-N 3.3Å; D505-N507 PolarHBondContact O-N 3.05Å; D505-Q508 PolarHBondContact O-N 2.81Å; D505-A509 PolarHBondContact O-N 3.45Å; D505-A509 VanDerWaalsContact O-N 3.08Å |
| 506 | L | 92.8 | Very high | 91 | Very high | 26 Ų | 26 | 63.4 Ų | 63.4 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -36.6 | 177.2 | -73 | 172.1 | 0 | 0 | 0 | 112.2 | V502 S503 E504 A509 F510 I530 F561 Y562 | V502-L506 HydrophobicContact CG1-CD1 4.07Å; V502-L506 HydrophobicContact CG1-CG 4.45Å; V502-L506 WeakPolarHBondContact O-CG 3.23Å; V502-L506 PolarHBondContact O-N 3.25Å; S503-L506 PolarHBondContact O-N 3.37Å; E504-L506 PolarHBondContact O-N 3.02Å; L506-A509 PolarHBondContact O-N 3.4Å; L506-F510 WeakPolarHBondContact O-CB 3.38Å; L506-F510 PolarHBondContact O-N 2.8Å; L506-I530 HydrophobicContact CD1-CB 4.39Å; L506-I530 HydrophobicContact CD1-CD1 4.15Å; L506-F561 HydrophobicContact CD2-CE1 4.27Å; L506-F561 HydrophobicContact CD2-CZ 4.45Å; L506-F561 WeakPolarHBondContact O-CZ 3.46Å; L506-Y562 HydrophobicContact CD1-CE2 4.26Å |
| 507 | N | 92.5 | Very high | 90 | Very high | 11 Ų | 11 | 68 Ų | 68 | 6% | 0.059 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 174.8 | -84 | -71.3 | 0 | 0 | 0 | 112.2 | S503 E504 D505 F510 K511 N527 I528 | S503-N507 PolarHBondContact O-N 3.42Å; S503-N507 PolarHBondContact O-ND2 3.37Å; E504-N507 WeakPolarHBondContact O-CB 3.32Å; E504-N507 PolarHBondContact O-N 3.19Å; D505-N507 VanDerWaalsContact C-N 3.3Å; D505-N507 PolarHBondContact O-N 3.05Å; N507-F510 PolarHBondContact O-N 3.13Å; N507-K511 WeakPolarHBondContact O-CB 3.47Å; N507-K511 VanDerWaalsContact O-CG 3.25Å; N507-K511 WeakPolarHBondContact O-CG 3.34Å; N507-K511 PolarHBondContact O-N 3.37Å; N507-N527 PolarHBondContact ND2-OD1 2.87Å; N507-N527 WeakPolarHBondContact OD1-CA 3.03Å; N507-I528 PolarHBondContact ND2-O 3.2Å; N507-I528 PolarHBondContact OD1-N 3.48Å |
| 508 | Q | 92.6 | Very high | 89 | Confident | 121 Ų | 121 | 77.4 Ų | 77.4 | 57% | 0.565 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.8 | -48.4 | 177.1 | -67.5 | 176.9 | 21 | 0 | 0 | 110.5 | E504 D505 F510 K511 E512 | E504-Q508 WeakPolarHBondContact O-CG 3.32Å; E504-Q508 PolarHBondContact O-N 3.34Å; E504-Q508 VanDerWaalsContact O-N 3.12Å; D505-Q508 PolarHBondContact O-N 2.81Å; Q508-F510 VanDerWaalsContact C-N 3.34Å; Q508-F510 PolarHBondContact O-N 3.3Å; Q508-K511 PolarHBondContact O-N 3.15Å; Q508-E512 WeakPolarHBondContact O-CG 3.33Å; Q508-E512 PolarHBondContact O-N 3.11Å |
| 509 | A | 91.9 | Very high | 88.2 | Confident | 39 Ų | 39 | 74 Ų | 74 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D505 L506 M513 F561 | D505-A509 PolarHBondContact O-N 3.45Å; D505-A509 VanDerWaalsContact O-N 3.08Å; L506-A509 PolarHBondContact O-N 3.4Å; A509-M513 WeakPolarHBondContact O-CB 3.44Å; A509-M513 PolarHBondContact O-N 2.94Å; A509-F561 HydrophobicContact CB-CE2 4.27Å; A509-F561 HydrophobicContact CB-CZ 3.98Å |
| 510 | F | 91.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 175.4 | -179.2 | -99.1 | 0 | 0 | 0 | 111.6 | L506 N507 Q508 E512 M513 H514 L519 I528 L554 V558 F561 | L506-F510 WeakPolarHBondContact O-CB 3.38Å; L506-F510 PolarHBondContact O-N 2.8Å; N507-F510 PolarHBondContact O-N 3.13Å; Q508-F510 VanDerWaalsContact C-N 3.34Å; Q508-F510 PolarHBondContact O-N 3.3Å; F510-E512 VanDerWaalsContact C-N 3.34Å; F510-E512 PolarHBondContact O-N 3.44Å; F510-M513 PolarHBondContact O-N 3.15Å; F510-H514 AromaticContact CD2-CD2 3.88Å; F510-H514 AromaticContact CE2-CD2 3.6Å; F510-H514 AromaticContact CE2-NE2 3.7Å; F510-H514 AromaticContact CZ-CD2 3.94Å; F510-H514 PolarHBondContact O-CD2 2.69Å; F510-H514 PolarHBondContact O-N 2.95Å; F510-H514 VanDerWaalsContact O-N 3.1Å; F510-L519 HydrophobicContact CE1-CD1 4.1Å; F510-L519 HydrophobicContact CZ-CD1 4.01Å; F510-I528 HydrophobicContact CB-CD1 4.5Å; F510-I528 HydrophobicContact CD1-CD1 3.83Å; F510-I528 HydrophobicContact CD2-CD1 4.16Å; F510-I528 HydrophobicContact CE1-CD1 4.05Å; F510-I528 HydrophobicContact CE2-CD1 4.37Å; F510-I528 HydrophobicContact CG-CD1 3.89Å; F510-I528 HydrophobicContact CZ-CD1 4.31Å; F510-L554 HydrophobicContact CZ-CD1 4.13Å; F510-V558 HydrophobicContact CE2-CG2 3.93Å; F510-V558 HydrophobicContact CZ-CG2 3.88Å; F510-F561 HydrophobicContact CB-CD1 4.36Å; F510-F561 HydrophobicContact CB-CD2 4.44Å; F510-F561 HydrophobicContact CB-CE1 4.01Å; F510-F561 HydrophobicContact CB-CE2 4.12Å; F510-F561 HydrophobicContact CB-CZ 3.89Å; F510-F561 HydrophobicContact CD2-CB 3.93Å; F510-F561 AromaticContact CD2-CD1 3.85Å; F510-F561 HydrophobicContact CD2-CD1 3.85Å; F510-F561 AromaticContact CD2-CD2 3.96Å; F510-F561 HydrophobicContact CD2-CD2 3.96Å; F510-F561 HydrophobicContact CD2-CE1 4.35Å; F510-F561 HydrophobicContact CD2-CE2 4.47Å; F510-F561 AromaticContact CD2-CG 3.64Å; F510-F561 HydrophobicContact CD2-CG 3.64Å; F510-F561 HydrophobicContact CE2-CB 4.2Å; F510-F561 HydrophobicContact CE2-CG 4.4Å |
| 511 | K | 90.6 | Very high | 86.8 | Confident | 61 Ų | 61 | 77.7 Ų | 77.7 | 27% | 0.265 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 178.1 | -72.8 | 174.9 | -178.4 | -165.1 | 0 | 112.2 | N507 Q508 H514 K515 A523 D524 V526 | N507-K511 WeakPolarHBondContact O-CB 3.47Å; N507-K511 VanDerWaalsContact O-CG 3.25Å; N507-K511 WeakPolarHBondContact O-CG 3.34Å; N507-K511 PolarHBondContact O-N 3.37Å; Q508-K511 PolarHBondContact O-N 3.15Å; K511-H514 PolarHBondContact O-N 3.33Å; K511-K515 PolarHBondContact O-N 2.88Å; K511-A523 WeakPolarHBondContact CE-O 3.19Å; K511-A523 HydrophobicContact CG-CB 4.34Å; K511-D524 PolarHBondContact NZ-O 2.93Å; K511-V526 WeakPolarHBondContact CE-O 3.16Å |
| 512 | E | 89.1 | Confident | 86.4 | Confident | 148 Ų | 148 | 77.4 Ų | 77.4 | 69% | 0.692 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 176.1 | -73.5 | -178.9 | 169.9 | 0 | 0 | 112.3 | Q508 F510 H514 K515 | Q508-E512 WeakPolarHBondContact O-CG 3.33Å; Q508-E512 PolarHBondContact O-N 3.11Å; F510-E512 VanDerWaalsContact C-N 3.34Å; F510-E512 PolarHBondContact O-N 3.44Å; E512-H514 VanDerWaalsContact C-N 3.3Å; E512-H514 PolarHBondContact O-N 3.47Å; E512-K515 PolarHBondContact O-N 3.39Å |
| 513 | M | 87.3 | Confident | 85.8 | Confident | 77 Ų | 77 | 75.2 Ų | 75.2 | 38% | 0.379 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62 | -38.1 | 179 | -173 | -177.2 | -59.1 | 0 | 0 | 112.3 | A509 F510 F561 | A509-M513 WeakPolarHBondContact O-CB 3.44Å; A509-M513 PolarHBondContact O-N 2.94Å; F510-M513 PolarHBondContact O-N 3.15Å; M513-F561 HydrophobicContact CE-CD2 3.37Å; M513-F561 HydrophobicContact CE-CE2 3.66Å; M513-F561 HydrophobicContact SD-CD2 3.83Å |
| 514 | H | 85.6 | Confident | 85.3 | Confident | 12 Ų | 12 | 81.1 Ų | 81.1 | 6% | 0.056 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -100.3 | 9.3 | -176.2 | -70.1 | -90.4 | 0 | 0 | 0 | 114.6 | F510 K511 E512 N516 N517 L519 A523 E557 | F510-H514 AromaticContact CD2-CD2 3.88Å; F510-H514 AromaticContact CE2-CD2 3.6Å; F510-H514 AromaticContact CE2-NE2 3.7Å; F510-H514 AromaticContact CZ-CD2 3.94Å; F510-H514 PolarHBondContact O-CD2 2.69Å; F510-H514 PolarHBondContact O-N 2.95Å; F510-H514 VanDerWaalsContact O-N 3.1Å; K511-H514 PolarHBondContact O-N 3.33Å; E512-H514 VanDerWaalsContact C-N 3.3Å; E512-H514 PolarHBondContact O-N 3.47Å; H514-N516 PolarHBondContact O-N 3.32Å; H514-N516 VanDerWaalsContact O-N 3.12Å; H514-N517 HydrophobicContact CB-CB 4.43Å; H514-N517 PolarHBondContact O-N 2.87Å; H514-N517 VanDerWaalsContact O-N 3.12Å; H514-L519 HydrophobicContact CB-CD1 3.56Å; H514-L519 HydrophobicContact CB-CG 4.08Å; H514-A523 HydrophobicContact CB-CB 4.18Å; H514-E557 IonicContact CE1-OE2 3.09Å; H514-E557 PolarHBondContact CE1-OE2 3.36Å |
| 515 | K | 79.7 | Confident | 85.1 | Confident | 173 Ų | 173 | 79.9 Ų | 79.9 | 75% | 0.752 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -34 | -179.9 | -170.8 | 174.6 | -178.8 | 176.2 | 0 | 113.7 | K511 E512 | K511-K515 PolarHBondContact O-N 2.88Å; E512-K515 PolarHBondContact O-N 3.39Å |
| 516 | N | 76.6 | Confident | 84.8 | Confident | 151 Ų | 151 | 75.7 Ų | 75.7 | 81% | 0.807 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -5.5 | -179.3 | -63.1 | -25.1 | 0 | 0 | 0 | 113.4 | H514 | H514-N516 PolarHBondContact O-N 3.32Å; H514-N516 VanDerWaalsContact O-N 3.12Å |
| 517 | N | 73.7 | Confident | 84.8 | Confident | 97 Ų | 97 | 79.8 Ų | 79.8 | 52% | 0.519 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -90.6 | 141.8 | -178.1 | -74.4 | -12.5 | 0 | 0 | 0 | 110.3 | H514 L519 | H514-N517 HydrophobicContact CB-CB 4.43Å; H514-N517 PolarHBondContact O-N 2.87Å; H514-N517 VanDerWaalsContact O-N 3.12Å; N517-L519 PolarHBondContact O-N 2.88Å |
| 518 | K | 73.4 | Confident | 84.7 | Confident | 216 Ų | 216 | 80.4 Ų | 80.4 | 94% | 0.939 | 42% | 0.423 | S | S | * | . | trans | -79.9 | 84.4 | 173.6 | -70.7 | -175.9 | 178.2 | -178.8 | 0 | 109.6 | ||||
| 519 | L | 79.4 | Confident | 84.7 | Confident | 30 Ų | 30 | 77.6 Ų | 77.6 | 16% | 0.157 | 41% | 0.41 | C | S | . | . | trans | -72.4 | 157.9 | 162.6 | -71.8 | 176.4 | 0 | 0 | 0 | 110.3 | F510 H514 N517 L521 A523 L554 E557 | F510-L519 HydrophobicContact CE1-CD1 4.1Å; F510-L519 HydrophobicContact CZ-CD1 4.01Å; H514-L519 HydrophobicContact CB-CD1 3.56Å; H514-L519 HydrophobicContact CB-CG 4.08Å; N517-L519 PolarHBondContact O-N 2.88Å; L519-L521 WeakPolarHBondContact CB-O 3.47Å; L519-L521 PolarHBondContact O-N 3.42Å; L519-A523 HydrophobicContact CD1-CB 4.11Å; L519-L554 HydrophobicContact CD1-CD1 4.4Å; L519-E557 HydrophobicContact CD2-CB 3.99Å; L519-E557 HydrophobicContact CD2-CG 3.69Å | ||
| 520 | A | 78.4 | Confident | 84.7 | Confident | 52 Ų | 52 | 77 Ų | 77 | 43% | 0.43 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -61.5 | -28.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E550 D553 | A520-E550 HydrophobicContact CB-CB 4.44Å; A520-D553 HydrophobicContact CB-CB 3.97Å |
| 521 | L | 82 | Confident | 84.8 | Confident | 49 Ų | 49 | 79.5 Ų | 79.5 | 26% | 0.257 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -123.1 | 146.7 | 174.2 | -67.7 | 171.6 | 0 | 0 | 0 | 110.4 | L519 A523 V526 E550 L551 L554 | L519-L521 WeakPolarHBondContact CB-O 3.47Å; L519-L521 PolarHBondContact O-N 3.42Å; L521-A523 PolarHBondContact O-N 3.2Å; L521-V526 HydrophobicContact CB-CG2 4.23Å; L521-E550 HydrophobicContact CD1-CB 4.47Å; L521-E550 HydrophobicContact CD2-CB 4.2Å; L521-E550 HydrophobicContact CG-CB 4.16Å; L521-L551 HydrophobicContact CD1-CD2 3.71Å; L521-L554 HydrophobicContact CD1-CD2 4.4Å |
| 522 | P | 83.8 | Confident | 84.8 | Confident | 90 Ų | 90 | 80.2 Ų | 80.2 | 58% | 0.584 | 42% | 0.42 | S | S | * | . | trans | -54.3 | 129.5 | 172 | -23.3 | 33.1 | 0 | 0 | 0 | 110.8 | D524 S525 | P522-D524 PolarHBondContact O-N 3.28Å; P522-S525 PolarHBondContact O-N 2.89Å; P522-S525 PolarHBondContact O-OG 3.1Å | ||
| 523 | A | 81.2 | Confident | 84.8 | Confident | 12 Ų | 12 | 76.1 Ų | 76.1 | 10% | 0.099 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -54.9 | -33.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K511 H514 L519 L521 S525 V526 | K511-A523 WeakPolarHBondContact CE-O 3.19Å; K511-A523 HydrophobicContact CG-CB 4.34Å; H514-A523 HydrophobicContact CB-CB 4.18Å; L519-A523 HydrophobicContact CD1-CB 4.11Å; L521-A523 PolarHBondContact O-N 3.2Å; A523-S525 VanDerWaalsContact C-N 3.29Å; A523-S525 PolarHBondContact O-N 3.43Å; A523-V526 PolarHBondContact O-N 3Å |
| 524 | D | 84.4 | Confident | 84.7 | Confident | 127 Ų | 127 | 75 Ų | 75 | 68% | 0.679 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -66 | -25.7 | 178.2 | -71.9 | -31.7 | 0 | 0 | 0 | 114.5 | K511 P522 V526 | K511-D524 PolarHBondContact NZ-O 2.93Å; P522-D524 PolarHBondContact O-N 3.28Å; D524-V526 VanDerWaalsContact C-N 3.3Å |
| 525 | S | 86.7 | Confident | 85 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 58% | 0.58 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -85.8 | -3.1 | 178.2 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | P522 A523 | P522-S525 PolarHBondContact O-N 2.89Å; P522-S525 PolarHBondContact O-OG 3.1Å; A523-S525 VanDerWaalsContact C-N 3.29Å; A523-S525 PolarHBondContact O-N 3.43Å |
| 526 | V | 88.7 | Confident | 85.4 | Confident | 15 Ų | 15 | 67 Ų | 67 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | trans | -100.9 | 133.4 | 179.8 | -180 | 0 | 0 | 0 | 0 | 109.6 | K511 L521 A523 D524 I528 L554 | K511-V526 WeakPolarHBondContact CE-O 3.16Å; L521-V526 HydrophobicContact CB-CG2 4.23Å; A523-V526 PolarHBondContact O-N 3Å; D524-V526 VanDerWaalsContact C-N 3.3Å; V526-I528 HydrophobicContact CG1-CD1 4.17Å; V526-I528 HydrophobicContact CG1-CG1 3.75Å; V526-L554 HydrophobicContact CB-CD2 4.34Å; V526-L554 HydrophobicContact CG1-CD2 3.73Å; V526-L554 HydrophobicContact CG2-CD1 4.22Å; V526-L554 HydrophobicContact CG2-CD2 3.6Å | ||
| 527 | N | 91.2 | Very high | 84.9 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 60% | 0.599 | 37% | 0.366 | S | S | * | . | trans | -130.9 | 112.5 | 172.5 | -174.9 | -13.1 | 0 | 0 | 0 | 109.5 | N507 | N507-N527 PolarHBondContact ND2-OD1 2.87Å; N507-N527 WeakPolarHBondContact OD1-CA 3.03Å | ||
| 528 | I | 91.9 | Very high | 84.2 | Confident | 23 Ų | 23 | 68.2 Ų | 68.2 | 12% | 0.118 | 38% | 0.38 | C | S | . | . | trans | -103.5 | 122.3 | -173.3 | -52.9 | 160.8 | 0 | 0 | 0 | 108.6 | N507 F510 V526 I530 V558 | N507-I528 PolarHBondContact ND2-O 3.2Å; N507-I528 PolarHBondContact OD1-N 3.48Å; F510-I528 HydrophobicContact CB-CD1 4.5Å; F510-I528 HydrophobicContact CD1-CD1 3.83Å; F510-I528 HydrophobicContact CD2-CD1 4.16Å; F510-I528 HydrophobicContact CE1-CD1 4.05Å; F510-I528 HydrophobicContact CE2-CD1 4.37Å; F510-I528 HydrophobicContact CG-CD1 3.89Å; F510-I528 HydrophobicContact CZ-CD1 4.31Å; V526-I528 HydrophobicContact CG1-CD1 4.17Å; V526-I528 HydrophobicContact CG1-CG1 3.75Å; I528-I530 HydrophobicContact CG2-CD1 4.17Å; I528-I530 HydrophobicContact CG2-CG1 3.78Å; I528-V558 HydrophobicContact CD1-CB 4.29Å; I528-V558 HydrophobicContact CD1-CG1 3.83Å; I528-V558 HydrophobicContact CD1-CG2 3.48Å; I528-V558 VanDerWaalsContact CD1-CG2 3.48Å; I528-V558 HydrophobicContact CG1-CG1 4.4Å; I528-V558 HydrophobicContact CG1-CG2 4.21Å; I528-V558 HydrophobicContact CG2-CG1 3.95Å | ||
| 529 | K | 92.2 | Very high | 83.4 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 27% | 0.274 | 35% | 0.353 | S | S | . | . | trans | -108 | 109.7 | 174.6 | -66.7 | -172.9 | 174.6 | -175.1 | 0 | 109.7 | L462 I463 I500 L531 | L462-K529 PolarHBondContact O-NZ 3.26Å; I463-K529 HydrophobicContact CD1-CD 4.18Å; I463-K529 PolarHBondContact O-NZ 3.21Å; I500-K529 HydrophobicContact CD1-CD 4.15Å; K529-L531 HydrophobicContact CB-CD2 4.16Å; K529-L531 HydrophobicContact CB-CG 4.34Å | ||
| 530 | I | 92.3 | Very high | 82.3 | Confident | 26 Ų | 26 | 64 Ų | 64 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | trans | -102.5 | 111.5 | -179.6 | -55 | -170.5 | 0 | 0 | 0 | 108.9 | S503 L506 I528 Y562 L571 | S503-I530 PolarHBondContact OG-N 3.38Å; S503-I530 PolarHBondContact OG-O 3.45Å; L506-I530 HydrophobicContact CD1-CB 4.39Å; L506-I530 HydrophobicContact CD1-CD1 4.15Å; I528-I530 HydrophobicContact CG2-CD1 4.17Å; I528-I530 HydrophobicContact CG2-CG1 3.78Å; I530-Y562 HydrophobicContact CB-CE2 4.46Å; I530-Y562 HydrophobicContact CD1-CD2 3.22Å; I530-Y562 HydrophobicContact CD1-CE2 3.52Å; I530-Y562 HydrophobicContact CD1-CG 4.01Å; I530-Y562 HydrophobicContact CG2-CD2 4.43Å; I530-Y562 HydrophobicContact CG2-CE2 3.72Å; I530-L571 HydrophobicContact CG2-CD2 3.99Å | ||
| 531 | L | 92.3 | Very high | 81.7 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 27% | 0.272 | 38% | 0.383 | S | S | . | . | trans | -119.6 | 143.4 | -163.1 | -52.4 | 177.2 | 0 | 0 | 0 | 111.6 | I463 D499 I500 K529 A533 W536 | I463-L531 HydrophobicContact CD1-CD1 3.49Å; I463-L531 VanDerWaalsContact CD1-CD1 3.49Å; D499-L531 HydrophobicContact CB-CD2 4.17Å; I500-L531 HydrophobicContact CD1-CD2 4.16Å; K529-L531 HydrophobicContact CB-CD2 4.16Å; K529-L531 HydrophobicContact CB-CG 4.34Å; L531-A533 PolarHBondContact O-N 3.23Å; L531-W536 HydrophobicContact CB-CD2 4.21Å; L531-W536 HydrophobicContact CB-CG 4.02Å; L531-W536 HydrophobicContact CD1-CD2 3.83Å; L531-W536 HydrophobicContact CD1-CE3 3.92Å; L531-W536 HydrophobicContact CD1-CG 4.36Å; L531-W536 HydrophobicContact CD1-CH2 4.29Å; L531-W536 HydrophobicContact CD1-CZ2 4.21Å; L531-W536 HydrophobicContact CD1-CZ3 4.15Å; L531-W536 HydrophobicContact CD2-CD2 4.45Å; L531-W536 HydrophobicContact CD2-CH2 4.31Å; L531-W536 HydrophobicContact CD2-CZ2 3.67Å; L531-W536 HydrophobicContact CG-CD2 4.38Å; L531-W536 HydrophobicContact CG-CZ2 4.43Å | ||
| 532 | N | 91.5 | Very high | 81.2 | Confident | 76 Ų | 76 | 71.9 Ų | 71.9 | 41% | 0.406 | 40% | 0.404 | S | S | . | . | trans | -74.4 | 116.6 | 176.5 | -174.5 | -53.3 | 0 | 0 | 0 | 110.7 | D499 G534 A535 W536 | D499-N532 WeakPolarHBondContact OD2-CB 3.45Å; D499-N532 PolarHBondContact OD2-N 3.03Å; N532-G534 PolarHBondContact O-N 3.44Å; N532-G534 VanDerWaalsContact O-N 3.1Å; N532-G534 WeakPolarHBondContact OD1-CA 3.38Å; N532-G534 PolarHBondContact OD1-N 3.21Å; N532-A535 HydrophobicContact CB-CB 4.26Å; N532-A535 PolarHBondContact O-N 2.8Å; N532-A535 PolarHBondContact OD1-N 3.05Å; N532-W536 PolarHBondContact O-N 3.05Å; N532-W536 VanDerWaalsContact O-N 3.08Å | ||
| 533 | A | 87.8 | Confident | 81 | Confident | 62 Ų | 62 | 68.9 Ų | 68.9 | 51% | 0.512 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56 | -30.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L531 S537 | L531-A533 PolarHBondContact O-N 3.23Å; A533-S537 PolarHBondContact O-N 3.11Å |
| 534 | G | 87.1 | Confident | 81.2 | Confident | 53 Ų | 53 | 74.1 Ų | 74.1 | 55% | 0.546 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.3 | -34.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N532 | N532-G534 PolarHBondContact O-N 3.44Å; N532-G534 VanDerWaalsContact O-N 3.1Å; N532-G534 WeakPolarHBondContact OD1-CA 3.38Å; N532-G534 PolarHBondContact OD1-N 3.21Å |
| 535 | A | 90.4 | Very high | 81.5 | Confident | 4 Ų | 4 | 69 Ų | 69 | 3% | 0.033 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -81 | -43.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | K455 R495 M496 N532 | K455-A535 WeakPolarHBondContact CE-O 3.42Å; K455-A535 PolarHBondContact NZ-O 3.05Å; R495-A535 HydrophobicContact CB-CB 3.93Å; R495-A535 HydrophobicContact CG-CB 3.74Å; M496-A535 HydrophobicContact CG-CB 4.28Å; N532-A535 HydrophobicContact CB-CB 4.26Å; N532-A535 PolarHBondContact O-N 2.8Å; N532-A535 PolarHBondContact OD1-N 3.05Å |
| 536 | W | 87.7 | Confident | 81.7 | Confident | 15 Ų | 15 | 66.5 Ų | 66.5 | 6% | 0.057 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -85.5 | -12.8 | -173.1 | -68.1 | 75.3 | 0 | 0 | 0 | 114.5 | T459 L462 I463 M496 D499 I500 L531 N532 M577 | T459-W536 HydrophobicContact CG2-CE3 3.76Å; T459-W536 HydrophobicContact CG2-CZ3 3.85Å; L462-W536 HydrophobicContact CB-CH2 3.73Å; L462-W536 HydrophobicContact CB-CZ3 4.39Å; L462-W536 HydrophobicContact CD1-CH2 3.85Å; L462-W536 HydrophobicContact CD1-CZ2 4.24Å; L462-W536 HydrophobicContact CG-CH2 4.47Å; I463-W536 HydrophobicContact CD1-CE3 4.39Å; I463-W536 HydrophobicContact CD1-CH2 4.07Å; I463-W536 HydrophobicContact CD1-CZ3 3.71Å; I463-W536 HydrophobicContact CG1-CH2 4.31Å; I463-W536 HydrophobicContact CG1-CZ3 3.71Å; M496-W536 HydrophobicContact CB-CD2 4.48Å; M496-W536 HydrophobicContact CB-CH2 4.41Å; M496-W536 HydrophobicContact CB-CZ2 3.71Å; M496-W536 HydrophobicContact CE-CD2 3.98Å; M496-W536 HydrophobicContact CE-CE3 3.71Å; M496-W536 HydrophobicContact CE-CH2 4.04Å; M496-W536 HydrophobicContact CE-CZ2 4.29Å; M496-W536 HydrophobicContact CE-CZ3 3.74Å; M496-W536 HydrophobicContact CG-CD2 3.93Å; M496-W536 HydrophobicContact CG-CG 4.13Å; M496-W536 HydrophobicContact CG-CZ2 4.09Å; D499-W536 PolarHBondContact OD2-NE1 3.42Å; D499-W536 VanDerWaalsContact OD2-NE1 3.13Å; I500-W536 HydrophobicContact CD1-CH2 3.85Å; I500-W536 HydrophobicContact CD1-CZ2 3.9Å; I500-W536 HydrophobicContact CG1-CH2 4.18Å; I500-W536 HydrophobicContact CG1-CZ2 4Å; L531-W536 HydrophobicContact CB-CD2 4.21Å; L531-W536 HydrophobicContact CB-CG 4.02Å; L531-W536 HydrophobicContact CD1-CD2 3.83Å; L531-W536 HydrophobicContact CD1-CE3 3.92Å; L531-W536 HydrophobicContact CD1-CG 4.36Å; L531-W536 HydrophobicContact CD1-CH2 4.29Å; L531-W536 HydrophobicContact CD1-CZ2 4.21Å; L531-W536 HydrophobicContact CD1-CZ3 4.15Å; L531-W536 HydrophobicContact CD2-CD2 4.45Å; L531-W536 HydrophobicContact CD2-CH2 4.31Å; L531-W536 HydrophobicContact CD2-CZ2 3.67Å; L531-W536 HydrophobicContact CG-CD2 4.38Å; L531-W536 HydrophobicContact CG-CZ2 4.43Å; N532-W536 PolarHBondContact O-N 3.05Å; N532-W536 VanDerWaalsContact O-N 3.08Å; W536-M577 HydrophobicContact CE3-CE 4.36Å |
| 537 | S | 67.7 | Low | 81.8 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | trans | 70.9 | 151.2 | -175.3 | 88.9 | 0 | 0 | 0 | 0 | 115 | A533 | A533-S537 PolarHBondContact O-N 3.11Š| ||
| 538 | R | 59.1 | Low | 81.8 | Confident | 216 Ų | 216 | 62.1 Ų | 62.1 | 82% | 0.815 | 34% | 0.338 | S | S | * | . | trans | -83.6 | 115.6 | -175.9 | -55.7 | 178.8 | -168.1 | -129.6 | 2.7 | 108.9 | S540 | R538-S540 PolarHBondContact O-N 3.13Š| ||
| 539 | S | 56.4 | Low | 81.6 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 38% | 0.378 | 36% | 0.358 | S | S | . | . | trans | -64.5 | 115.2 | 151.5 | 56.9 | 0 | 0 | 0 | 0 | 106.3 | E541 H574 | S539-E541 PolarHBondContact O-N 2.79Å; S539-H574 PolarHBondContact OG-CE1 3.48Å; S539-H574 PolarHBondContact OG-ND1 3.49Å | ||
| 540 | S | 56.5 | Low | 81.3 | Confident | 105 Ų | 105 | 66.2 Ų | 66.2 | 73% | 0.734 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -68.5 | -15 | -170.5 | 42.2 | 0 | 0 | 0 | 0 | 113.9 | R538 | R538-S540 PolarHBondContact O-N 3.13Š|
| 541 | E | 64 | Low | 81.2 | Confident | 104 Ų | 104 | 67.3 Ų | 67.3 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -117.4 | 121.3 | -175.6 | -155.7 | 165.7 | -156.4 | 0 | 0 | 111.4 | S539 V543 R698 | S539-E541 PolarHBondContact O-N 2.79Å; E541-V543 PolarHBondContact O-N 3.31Å; E541-R698 IonicContact OE1-NH2 3.43Å; E541-R698 IonicContact OE2-CZ 3.9Å; E541-R698 VanDerWaalsContact OE2-CZ 3.24Å; E541-R698 IonicContact OE2-NH1 2.66Å; E541-R698 PolarHBondContact OE2-NH1 3.15Å; E541-R698 IonicContact OE2-NH2 3.72Å; E541-R698 PolarHBondContact OE2-NH2 3.32Å |
| 542 | K | 71.7 | Confident | 81.1 | Confident | 161 Ų | 161 | 69.2 Ų | 69.2 | 70% | 0.7 | 38% | 0.377 | S | S | * | . | trans | -73.7 | 109.7 | 169.4 | -174.9 | -177 | 179 | -172.1 | 0 | 107.3 | F544 | K542-F544 HydrophobicContact CD-CE1 4.33Å; K542-F544 HydrophobicContact CD-CZ 4.33Å | ||
| 543 | V | 80.1 | Confident | 81.1 | Confident | 28 Ų | 28 | 69.7 Ų | 69.7 | 17% | 0.17 | 38% | 0.38 | C | S | . | . | trans | -83.5 | 119 | 172.2 | -177 | 0 | 0 | 0 | 0 | 108.2 | E541 F598 L625 P626 E629 | E541-V543 PolarHBondContact O-N 3.31Å; V543-F598 HydrophobicContact CB-CZ 3.96Å; V543-F598 HydrophobicContact CG1-CE1 4.21Å; V543-F598 HydrophobicContact CG1-CE2 4.13Å; V543-F598 HydrophobicContact CG1-CZ 3.53Å; V543-L625 HydrophobicContact CG1-CD2 4.31Å; V543-P626 HydrophobicContact CG1-CG 4Å; V543-E629 HydrophobicContact CG1-CG 4.22Å | ||
| 544 | F | 85.2 | Confident | 81.2 | Confident | 122 Ų | 122 | 67.6 Ų | 67.6 | 54% | 0.535 | 36% | 0.36 | S | S | . | . | trans | -74.1 | 141.2 | 172.8 | -64.8 | -86.9 | 0 | 0 | 0 | 109.9 | K542 | K542-F544 HydrophobicContact CD-CE1 4.33Å; K542-F544 HydrophobicContact CD-CZ 4.33Å | ||
| 545 | V | 90.1 | Very high | 81.4 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 11% | 0.109 | 34% | 0.342 | C | S | . | . | trans | -155.7 | 133.6 | 175.6 | 59.5 | 0 | 0 | 0 | 0 | 108.5 | L547 H575 F598 A601 T623 L625 | V545-L547 HydrophobicContact CG1-CD2 3.95Å; V545-H575 HydrophobicContact CG1-CB 3.86Å; V545-F598 HydrophobicContact CB-CD1 4.34Å; V545-F598 HydrophobicContact CB-CE1 4.18Å; V545-F598 HydrophobicContact CG1-CD1 4.44Å; V545-F598 HydrophobicContact CG1-CE1 4.08Å; V545-F598 HydrophobicContact CG2-CD1 4.16Å; V545-A601 HydrophobicContact CG2-CB 3.76Å; V545-T623 WeakPolarHBondContact CA-O 3.4Å; V545-L625 HydrophobicContact CB-CD2 3.89Å; V545-L625 HydrophobicContact CG2-CD2 3.87Å; V545-L625 HydrophobicContact CG2-CG 4.18Å | ||
| 546 | S | 92.5 | Very high | 81.4 | Confident | 32 Ų | 32 | 69.8 Ų | 69.8 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 122.6 | 169.3 | -53.9 | 0 | 0 | 0 | 0 | 108.9 | T623 E624 | S546-T623 PolarHBondContact N-O 2.96Å; S546-E624 VanDerWaalsContact OG-CG 3.29Å; S546-E624 WeakPolarHBondContact OG-CG 3.39Å |
| 547 | L | 91.1 | Very high | 81.6 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 10% | 0.099 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -93.7 | 157.5 | -178.5 | -59.9 | 175.5 | 0 | 0 | 0 | 109.7 | V545 L551 E552 I555 T597 | V545-L547 HydrophobicContact CG1-CD2 3.95Å; L547-L551 HydrophobicContact CB-CB 4.28Å; L547-L551 HydrophobicContact CD1-CB 4.47Å; L547-E552 HydrophobicContact CB-CG 3.7Å; L547-E552 PolarHBondContact N-OE1 2.95Å; L547-I555 HydrophobicContact CD1-CD1 3.72Å; L547-T597 HydrophobicContact CD2-CG2 3.46Å; L547-T597 VanDerWaalsContact CD2-CG2 3.46Å |
| 548 | P | 89.4 | Confident | 82.7 | Confident | 15 Ų | 15 | 69.9 Ų | 69.9 | 10% | 0.097 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 146 | 165.8 | -25.8 | 37.4 | 0 | 0 | 0 | 111.7 | E550 L551 E552 L600 F604 | P548-E550 WeakPolarHBondContact CB-OE2 3.47Å; P548-E550 PolarHBondContact O-N 3.05Å; P548-E550 VanDerWaalsContact O-N 3.11Å; P548-L551 PolarHBondContact O-N 2.8Å; P548-E552 PolarHBondContact O-N 3.41Å; P548-L600 HydrophobicContact CG-CD2 3.4Å; P548-L600 VanDerWaalsContact CG-CD2 3.4Å; P548-F604 HydrophobicContact CB-CD1 3.44Å; P548-F604 VanDerWaalsContact CB-CD1 3.44Å; P548-F604 HydrophobicContact CB-CE1 3.6Å; P548-F604 HydrophobicContact CB-CG 4.23Å; P548-F604 HydrophobicContact CB-CZ 4.49Å; P548-F604 HydrophobicContact CG-CB 4.05Å; P548-F604 HydrophobicContact CG-CD1 3.31Å; P548-F604 HydrophobicContact CG-CD2 4.19Å; P548-F604 HydrophobicContact CG-CE1 3.7Å; P548-F604 HydrophobicContact CG-CG 3.59Å; P548-F604 HydrophobicContact CG-CZ 4.28Å |
| 549 | T | 88.3 | Confident | 84.3 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -50.4 | -40.2 | -177.7 | -50.1 | 0 | 0 | 0 | 0 | 112.3 | L551 E552 D553 | T549-L551 PolarHBondContact O-N 2.91Å; T549-E552 PolarHBondContact O-N 3.3Å; T549-E552 VanDerWaalsContact O-N 3.15Å; T549-D553 WeakPolarHBondContact O-CB 3.15Å; T549-D553 VanDerWaalsContact O-CG 3.29Å; T549-D553 PolarHBondContact O-N 3.46Å |
| 550 | E | 86.7 | Confident | 85.9 | Confident | 84 Ų | 84 | 67.5 Ų | 67.5 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.8 | -28.5 | -179.5 | -55.2 | 88.7 | 162 | 0 | 0 | 113.3 | A520 L521 P548 | A520-E550 HydrophobicContact CB-CB 4.44Å; L521-E550 HydrophobicContact CD1-CB 4.47Å; L521-E550 HydrophobicContact CD2-CB 4.2Å; L521-E550 HydrophobicContact CG-CB 4.16Å; P548-E550 WeakPolarHBondContact CB-OE2 3.47Å; P548-E550 PolarHBondContact O-N 3.05Å; P548-E550 VanDerWaalsContact O-N 3.11Å |
| 551 | L | 89.7 | Confident | 87.5 | Confident | 49 Ų | 49 | 62.9 Ų | 62.9 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -85.7 | -35.3 | 173.8 | -66.1 | -177.2 | 0 | 0 | 0 | 111.9 | L521 L547 P548 T549 D553 L554 I555 L600 | L521-L551 HydrophobicContact CD1-CD2 3.71Å; L547-L551 HydrophobicContact CB-CB 4.28Å; L547-L551 HydrophobicContact CD1-CB 4.47Å; P548-L551 PolarHBondContact O-N 2.8Å; T549-L551 PolarHBondContact O-N 2.91Å; L551-D553 VanDerWaalsContact C-N 3.35Å; L551-L554 PolarHBondContact O-N 3.38Å; L551-I555 PolarHBondContact O-N 3.15Å; L551-L600 HydrophobicContact CD1-CD1 4.49Å; L551-L600 HydrophobicContact CD1-CD2 4.05Å |
| 552 | E | 90.2 | Very high | 88.9 | Confident | 92 Ų | 92 | 58.8 Ų | 58.8 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 175.2 | -66.1 | -170.2 | 159.1 | 0 | 0 | 111.6 | L547 P548 T549 L554 I555 P556 | L547-E552 HydrophobicContact CB-CG 3.7Å; L547-E552 PolarHBondContact N-OE1 2.95Å; P548-E552 PolarHBondContact O-N 3.41Å; T549-E552 PolarHBondContact O-N 3.3Å; T549-E552 VanDerWaalsContact O-N 3.15Å; E552-L554 PolarHBondContact O-N 3.3Å; E552-I555 PolarHBondContact O-N 3.29Å; E552-P556 WeakPolarHBondContact O-CD 3.48Å |
| 553 | D | 90.7 | Very high | 89.9 | Confident | 87 Ų | 87 | 59 Ų | 59 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -26.5 | 177.6 | -71 | -17.5 | 0 | 0 | 0 | 112.5 | A520 T549 L551 P556 | A520-D553 HydrophobicContact CB-CB 3.97Å; T549-D553 WeakPolarHBondContact O-CB 3.15Å; T549-D553 VanDerWaalsContact O-CG 3.29Å; T549-D553 PolarHBondContact O-N 3.46Å; L551-D553 VanDerWaalsContact C-N 3.35Å; D553-P556 WeakPolarHBondContact O-CD 3.47Å; D553-P556 WeakPolarHBondContact O-CG 3.27Å |
| 554 | L | 90.1 | Very high | 90.3 | Very high | 18 Ų | 18 | 65.2 Ų | 65.2 | 9% | 0.094 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -78.1 | -32 | 179.8 | -179.2 | 67.2 | 0 | 0 | 0 | 112.8 | F510 L519 L521 V526 L551 E552 E557 V558 | F510-L554 HydrophobicContact CZ-CD1 4.13Å; L519-L554 HydrophobicContact CD1-CD1 4.4Å; L521-L554 HydrophobicContact CD1-CD2 4.4Å; V526-L554 HydrophobicContact CB-CD2 4.34Å; V526-L554 HydrophobicContact CG1-CD2 3.73Å; V526-L554 HydrophobicContact CG2-CD1 4.22Å; V526-L554 HydrophobicContact CG2-CD2 3.6Å; L551-L554 PolarHBondContact O-N 3.38Å; E552-L554 PolarHBondContact O-N 3.3Å; L554-E557 PolarHBondContact O-N 3.42Å; L554-V558 HydrophobicContact CD1-CG2 4.27Å; L554-V558 HydrophobicContact CG-CG2 4.18Å; L554-V558 WeakPolarHBondContact O-CG2 3.34Å; L554-V558 PolarHBondContact O-N 3.46Å; L554-V558 VanDerWaalsContact O-N 3.14Å |
| 555 | I | 91.4 | Very high | 90.4 | Very high | 34 Ų | 34 | 63 Ų | 63 | 17% | 0.174 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54 | -53.7 | -178.4 | -74.3 | 170.6 | 0 | 0 | 0 | 113 | L547 L551 E552 E557 V558 E559 W573 | L547-I555 HydrophobicContact CD1-CD1 3.72Å; L551-I555 PolarHBondContact O-N 3.15Å; E552-I555 PolarHBondContact O-N 3.29Å; I555-E557 VanDerWaalsContact C-N 3.31Å; I555-E557 PolarHBondContact O-N 3.08Å; I555-V558 PolarHBondContact O-N 2.93Å; I555-E559 HydrophobicContact CG2-CG 4.43Å; I555-E559 WeakPolarHBondContact O-CG 3.36Å; I555-E559 PolarHBondContact O-N 3.32Å; I555-W573 HydrophobicContact CB-CZ2 4.07Å; I555-W573 HydrophobicContact CG1-CD2 4.25Å; I555-W573 HydrophobicContact CG1-CE3 4.49Å; I555-W573 HydrophobicContact CG1-CH2 4.11Å; I555-W573 HydrophobicContact CG1-CZ2 3.86Å; I555-W573 HydrophobicContact CG1-CZ3 4.43Å; I555-W573 HydrophobicContact CG2-CZ2 3.87Å |
| 556 | P | 91.8 | Very high | 90.4 | Very high | 69 Ų | 69 | 64.6 Ų | 64.6 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.3 | -35.9 | -177.7 | 23.7 | -33.4 | 0 | 0 | 0 | 112.7 | E552 D553 V558 E559 E560 | E552-P556 WeakPolarHBondContact O-CD 3.48Å; D553-P556 WeakPolarHBondContact O-CD 3.47Å; D553-P556 WeakPolarHBondContact O-CG 3.27Å; P556-V558 VanDerWaalsContact C-N 3.35Å; P556-V558 PolarHBondContact O-N 3.13Å; P556-E559 PolarHBondContact O-N 2.87Å; P556-E560 WeakPolarHBondContact O-CB 3.44Å; P556-E560 PolarHBondContact O-N 2.91Å |
| 557 | E | 90.4 | Very high | 90.1 | Very high | 72 Ų | 72 | 68.4 Ų | 68.4 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 176.7 | -62.1 | -70 | 154.8 | 0 | 0 | 111.4 | H514 L519 L554 I555 F561 | H514-E557 IonicContact CE1-OE2 3.09Å; H514-E557 PolarHBondContact CE1-OE2 3.36Å; L519-E557 HydrophobicContact CD2-CB 3.99Å; L519-E557 HydrophobicContact CD2-CG 3.69Å; L554-E557 PolarHBondContact O-N 3.42Å; I555-E557 VanDerWaalsContact C-N 3.31Å; I555-E557 PolarHBondContact O-N 3.08Å; E557-F561 WeakPolarHBondContact O-CB 3.34Å; E557-F561 PolarHBondContact O-N 3.24Å |
| 558 | V | 91 | Very high | 90.1 | Very high | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.006 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 176 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | F510 I528 L554 I555 P556 Y562 W573 | F510-V558 HydrophobicContact CE2-CG2 3.93Å; F510-V558 HydrophobicContact CZ-CG2 3.88Å; I528-V558 HydrophobicContact CD1-CB 4.29Å; I528-V558 HydrophobicContact CD1-CG1 3.83Å; I528-V558 HydrophobicContact CD1-CG2 3.48Å; I528-V558 VanDerWaalsContact CD1-CG2 3.48Å; I528-V558 HydrophobicContact CG1-CG1 4.4Å; I528-V558 HydrophobicContact CG1-CG2 4.21Å; I528-V558 HydrophobicContact CG2-CG1 3.95Å; L554-V558 HydrophobicContact CD1-CG2 4.27Å; L554-V558 HydrophobicContact CG-CG2 4.18Å; L554-V558 WeakPolarHBondContact O-CG2 3.34Å; L554-V558 PolarHBondContact O-N 3.46Å; L554-V558 VanDerWaalsContact O-N 3.14Å; I555-V558 PolarHBondContact O-N 2.93Å; P556-V558 VanDerWaalsContact C-N 3.35Å; P556-V558 PolarHBondContact O-N 3.13Å; V558-Y562 WeakPolarHBondContact O-CB 2.93Å; V558-Y562 PolarHBondContact O-N 3.3Å; V558-W573 HydrophobicContact CB-CH2 4.01Å; V558-W573 HydrophobicContact CB-CZ2 4.09Å; V558-W573 HydrophobicContact CG1-CH2 3.84Å; V558-W573 HydrophobicContact CG1-CZ2 4.02Å; V558-W573 HydrophobicContact CG2-CH2 4.37Å |
| 559 | E | 92.5 | Very high | 90.1 | Very high | 81 Ų | 81 | 78.5 Ų | 78.5 | 38% | 0.379 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 178.1 | -71.1 | -171.5 | 174.7 | 0 | 0 | 112.2 | I555 P556 Y562 K563 L571 W573 | I555-E559 HydrophobicContact CG2-CG 4.43Å; I555-E559 WeakPolarHBondContact O-CG 3.36Å; I555-E559 PolarHBondContact O-N 3.32Å; P556-E559 PolarHBondContact O-N 2.87Å; E559-Y562 PolarHBondContact O-N 3.44Å; E559-K563 VanDerWaalsContact O-CB 3.24Å; E559-K563 WeakPolarHBondContact O-CB 3.44Å; E559-K563 PolarHBondContact O-N 2.79Å; E559-L571 HydrophobicContact CG-CD1 4.16Å; E559-W573 HydrophobicContact CG-CZ2 4.38Å; E559-W573 PolarHBondContact OE1-NE1 3.35Å |
| 560 | E | 90.9 | Very high | 90.1 | Very high | 138 Ų | 138 | 82.3 Ų | 82.3 | 65% | 0.645 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.7 | -47.2 | 175.8 | -175.3 | 170 | -179.9 | 0 | 0 | 111.5 | P556 Y562 K563 K564 | P556-E560 WeakPolarHBondContact O-CB 3.44Å; P556-E560 PolarHBondContact O-N 2.91Å; E560-Y562 VanDerWaalsContact C-N 3.3Å; E560-Y562 PolarHBondContact O-N 3.28Å; E560-K563 PolarHBondContact O-N 2.87Å; E560-K564 PolarHBondContact O-N 3.46Å |
| 561 | F | 90.8 | Very high | 90.2 | Very high | 8 Ų | 8 | 80.3 Ų | 80.3 | 4% | 0.035 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -52.1 | -49.6 | 173.2 | 166.6 | -99.8 | 0 | 0 | 0 | 111.4 | L506 A509 F510 M513 E557 K564 N565 | L506-F561 HydrophobicContact CD2-CE1 4.27Å; L506-F561 HydrophobicContact CD2-CZ 4.45Å; L506-F561 WeakPolarHBondContact O-CZ 3.46Å; A509-F561 HydrophobicContact CB-CE2 4.27Å; A509-F561 HydrophobicContact CB-CZ 3.98Å; F510-F561 HydrophobicContact CB-CD1 4.36Å; F510-F561 HydrophobicContact CB-CD2 4.44Å; F510-F561 HydrophobicContact CB-CE1 4.01Å; F510-F561 HydrophobicContact CB-CE2 4.12Å; F510-F561 HydrophobicContact CB-CZ 3.89Å; F510-F561 HydrophobicContact CD2-CB 3.93Å; F510-F561 AromaticContact CD2-CD1 3.85Å; F510-F561 HydrophobicContact CD2-CD1 3.85Å; F510-F561 AromaticContact CD2-CD2 3.96Å; F510-F561 HydrophobicContact CD2-CD2 3.96Å; F510-F561 HydrophobicContact CD2-CE1 4.35Å; F510-F561 HydrophobicContact CD2-CE2 4.47Å; F510-F561 AromaticContact CD2-CG 3.64Å; F510-F561 HydrophobicContact CD2-CG 3.64Å; F510-F561 HydrophobicContact CE2-CB 4.2Å; F510-F561 HydrophobicContact CE2-CG 4.4Å; M513-F561 HydrophobicContact CE-CD2 3.37Å; M513-F561 HydrophobicContact CE-CE2 3.66Å; M513-F561 HydrophobicContact SD-CD2 3.83Å; E557-F561 WeakPolarHBondContact O-CB 3.34Å; E557-F561 PolarHBondContact O-N 3.24Å; F561-K564 PolarHBondContact O-N 3.44Å; F561-N565 WeakPolarHBondContact CE2-ND2 3.24Å; F561-N565 PolarHBondContact O-N 2.81Å; F561-N565 PolarHBondContact O-ND2 3.11Å |
| 562 | Y | 92.4 | Very high | 90.1 | Very high | 18 Ų | 18 | 84.2 Ų | 84.2 | 7% | 0.071 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.6 | -42.4 | -178 | -169.6 | -102.8 | 0 | 0 | 0 | 112.3 | L506 I530 V558 E559 E560 K564 N565 H566 R569 L571 | L506-Y562 HydrophobicContact CD1-CE2 4.26Å; I530-Y562 HydrophobicContact CB-CE2 4.46Å; I530-Y562 HydrophobicContact CD1-CD2 3.22Å; I530-Y562 HydrophobicContact CD1-CE2 3.52Å; I530-Y562 HydrophobicContact CD1-CG 4.01Å; I530-Y562 HydrophobicContact CG2-CD2 4.43Å; I530-Y562 HydrophobicContact CG2-CE2 3.72Å; V558-Y562 WeakPolarHBondContact O-CB 2.93Å; V558-Y562 PolarHBondContact O-N 3.3Å; E559-Y562 PolarHBondContact O-N 3.44Å; E560-Y562 VanDerWaalsContact C-N 3.3Å; E560-Y562 PolarHBondContact O-N 3.28Å; Y562-K564 VanDerWaalsContact C-N 3.3Å; Y562-K564 PolarHBondContact O-N 3.42Å; Y562-N565 PolarHBondContact O-N 2.92Å; Y562-H566 HydrophobicContact CD1-CB 4.4Å; Y562-H566 AromaticContact CD2-CD2 3.6Å; Y562-H566 HydrophobicContact CE1-CB 3.99Å; Y562-H566 AromaticContact CE2-CD2 3.23Å; Y562-H566 WeakPolarHBondContact CE2-CD2 3.38Å; Y562-H566 AromaticContact CE2-NE2 3.89Å; Y562-H566 AromaticContact CZ-CD2 3.57Å; Y562-H566 AromaticContact CZ-CG 3.98Å; Y562-H566 PolarHBondContact O-N 3.3Å; Y562-R569 HydrophobicContact CE1-CB 3.92Å; Y562-R569 WeakPolarHBondContact OH-CD 3.38Å; Y562-R569 PolarHBondContact OH-NH1 3.25Å; Y562-L571 HydrophobicContact CD1-CD1 3.82Å; Y562-L571 HydrophobicContact CD1-CD2 3.75Å; Y562-L571 HydrophobicContact CD1-CG 3.78Å; Y562-L571 HydrophobicContact CE1-CD2 3.74Å; Y562-L571 HydrophobicContact CE1-CG 4.21Å; Y562-L571 HydrophobicContact CG-CD1 3.88Å; Y562-L571 HydrophobicContact CG-CD2 4.24Å; Y562-L571 HydrophobicContact CG-CG 4.32Å |
| 563 | K | 92.2 | Very high | 90 | Very high | 165 Ų | 165 | 84 Ų | 84 | 72% | 0.717 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.5 | -35.8 | 179.8 | -176.5 | -179.2 | 177.1 | -173.8 | 0 | 112.2 | E559 E560 N565 | E559-K563 VanDerWaalsContact O-CB 3.24Å; E559-K563 WeakPolarHBondContact O-CB 3.44Å; E559-K563 PolarHBondContact O-N 2.79Å; E560-K563 PolarHBondContact O-N 2.87Å; K563-N565 VanDerWaalsContact C-N 3.32Å; K563-N565 PolarHBondContact O-N 3.45Å |
| 564 | K | 89.9 | Confident | 89.8 | Confident | 160 Ų | 160 | 83.8 Ų | 83.8 | 70% | 0.696 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.1 | -36.7 | 176.6 | -173.9 | 175.4 | 178.1 | 179.1 | 0 | 112.4 | E560 F561 Y562 | E560-K564 PolarHBondContact O-N 3.46Å; F561-K564 PolarHBondContact O-N 3.44Å; Y562-K564 VanDerWaalsContact C-N 3.3Å; Y562-K564 PolarHBondContact O-N 3.42Å |
| 565 | N | 86.8 | Confident | 89.6 | Confident | 76 Ų | 76 | 84.7 Ų | 84.7 | 41% | 0.406 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -90.1 | -23.9 | -178.4 | -64.9 | -27.9 | 0 | 0 | 0 | 113.2 | F561 Y562 K563 | F561-N565 WeakPolarHBondContact CE2-ND2 3.24Å; F561-N565 PolarHBondContact O-N 2.81Å; F561-N565 PolarHBondContact O-ND2 3.11Å; Y562-N565 PolarHBondContact O-N 2.92Å; K563-N565 VanDerWaalsContact C-N 3.32Å; K563-N565 PolarHBondContact O-N 3.45Å |
| 566 | H | 89.3 | Confident | 89.1 | Confident | 51 Ų | 51 | 85 Ų | 85 | 24% | 0.236 | 43% | 0.425 | C | S | . | . | trans | -137.6 | 97.2 | -175.2 | -59 | -65.4 | 0 | 0 | 0 | 112.5 | Y562 | Y562-H566 HydrophobicContact CD1-CB 4.4Å; Y562-H566 AromaticContact CD2-CD2 3.6Å; Y562-H566 HydrophobicContact CE1-CB 3.99Å; Y562-H566 AromaticContact CE2-CD2 3.23Å; Y562-H566 WeakPolarHBondContact CE2-CD2 3.38Å; Y562-H566 AromaticContact CE2-NE2 3.89Å; Y562-H566 AromaticContact CZ-CD2 3.57Å; Y562-H566 AromaticContact CZ-CG 3.98Å; Y562-H566 PolarHBondContact O-N 3.3Å | ||
| 567 | S | 87.4 | Confident | 88.6 | Confident | 111 Ų | 111 | 84 Ų | 84 | 78% | 0.776 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 142.9 | 173.6 | 58.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 568 | G | 89.7 | Confident | 88.5 | Confident | 92 Ų | 92 | 82.6 Ų | 82.6 | 95% | 0.948 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 8.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 569 | R | 90.6 | Very high | 88.5 | Confident | 155 Ų | 155 | 85.6 Ų | 85.6 | 59% | 0.585 | 43% | 0.429 | S | S | * | . | trans | -108 | 152.4 | 176.6 | -59.6 | -173.3 | -173.8 | 172.3 | 0.9 | 111 | Y562 | Y562-R569 HydrophobicContact CE1-CB 3.92Å; Y562-R569 WeakPolarHBondContact OH-CD 3.38Å; Y562-R569 PolarHBondContact OH-NH1 3.25Å | ||
| 570 | K | 87 | Confident | 88.4 | Confident | 168 Ų | 168 | 82.5 Ų | 82.5 | 73% | 0.73 | 42% | 0.42 | S | S | * | . | trans | -122 | 134.2 | 174.7 | -174.8 | 174.7 | -177.8 | 175.1 | 0 | 109.4 | ||||
| 571 | L | 89.9 | Confident | 88.6 | Confident | 41 Ų | 41 | 80.7 Ų | 80.7 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | trans | -90.4 | 146.5 | 174.4 | -65.6 | 178.5 | 0 | 0 | 0 | 110.7 | I530 E559 Y562 | I530-L571 HydrophobicContact CG2-CD2 3.99Å; E559-L571 HydrophobicContact CG-CD1 4.16Å; Y562-L571 HydrophobicContact CD1-CD1 3.82Å; Y562-L571 HydrophobicContact CD1-CD2 3.75Å; Y562-L571 HydrophobicContact CD1-CG 3.78Å; Y562-L571 HydrophobicContact CE1-CD2 3.74Å; Y562-L571 HydrophobicContact CE1-CG 4.21Å; Y562-L571 HydrophobicContact CG-CD1 3.88Å; Y562-L571 HydrophobicContact CG-CD2 4.24Å; Y562-L571 HydrophobicContact CG-CG 4.32Å | ||
| 572 | H | 88.1 | Confident | 88.7 | Confident | 131 Ų | 131 | 81.3 Ų | 81.3 | 61% | 0.606 | 42% | 0.417 | S | S | * | . | trans | -133.1 | 118.6 | 173.6 | -71.3 | -67.1 | 0 | 0 | 0 | 107.9 | H574 | H572-H574 PolarHBondContact O-CD2 3.39Å; H572-H574 VanDerWaalsContact O-CD2 3.3Å | ||
| 573 | W | 87.7 | Confident | 88.9 | Confident | 89 Ų | 89 | 84.2 Ų | 84.2 | 34% | 0.337 | 44% | 0.437 | S | S | . | . | trans | -79 | 132.7 | -178.2 | -66.9 | 90 | 0 | 0 | 0 | 111.6 | I555 V558 E559 | I555-W573 HydrophobicContact CB-CZ2 4.07Å; I555-W573 HydrophobicContact CG1-CD2 4.25Å; I555-W573 HydrophobicContact CG1-CE3 4.49Å; I555-W573 HydrophobicContact CG1-CH2 4.11Å; I555-W573 HydrophobicContact CG1-CZ2 3.86Å; I555-W573 HydrophobicContact CG1-CZ3 4.43Å; I555-W573 HydrophobicContact CG2-CZ2 3.87Å; V558-W573 HydrophobicContact CB-CH2 4.01Å; V558-W573 HydrophobicContact CB-CZ2 4.09Å; V558-W573 HydrophobicContact CG1-CH2 3.84Å; V558-W573 HydrophobicContact CG1-CZ2 4.02Å; V558-W573 HydrophobicContact CG2-CH2 4.37Å; E559-W573 HydrophobicContact CG-CZ2 4.38Å; E559-W573 PolarHBondContact OE1-NE1 3.35Å | ||
| 574 | H | 85.7 | Confident | 89 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 38% | 0.375 | 41% | 0.406 | S | S | . | . | trans | -117.1 | 79.7 | 179.3 | -74 | -91 | 0 | 0 | 0 | 110.5 | S539 H572 L576 M577 S578 | S539-H574 PolarHBondContact OG-CE1 3.48Å; S539-H574 PolarHBondContact OG-ND1 3.49Å; H572-H574 PolarHBondContact O-CD2 3.39Å; H572-H574 VanDerWaalsContact O-CD2 3.3Å; H574-L576 PolarHBondContact O-N 3.03Å; H574-M577 PolarHBondContact O-N 3.48Å; H574-M577 VanDerWaalsContact O-N 3.15Å; H574-S578 PolarHBondContact O-OG 3.37Å | ||
| 575 | H | 86.1 | Confident | 89.2 | Confident | 38 Ų | 38 | 76.5 Ų | 76.5 | 18% | 0.176 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -62.1 | -28.7 | -176.9 | -56.5 | -56 | 0 | 0 | 0 | 113.6 | V545 M577 S578 T597 F598 | V545-H575 HydrophobicContact CG1-CB 3.86Å; H575-M577 PolarHBondContact O-N 2.93Å; H575-S578 WeakPolarHBondContact O-CB 3.42Å; H575-S578 PolarHBondContact O-N 2.83Å; H575-T597 HydrophobicContact CB-CG2 4.02Å; H575-T597 WeakPolarHBondContact O-CB 3.35Å; H575-F598 HydrophobicContact CB-CE1 4.2Å |
| 576 | L | 80.8 | Confident | 89.6 | Confident | 40 Ų | 40 | 74 Ų | 74 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -58.7 | -31.8 | 175.9 | 179.1 | 65.9 | 0 | 0 | 0 | 113.3 | H574 F598 M699 | H574-L576 PolarHBondContact O-N 3.03Å; L576-F598 HydrophobicContact CB-CZ 4.16Å; L576-F598 HydrophobicContact CD1-CD2 4.4Å; L576-F598 HydrophobicContact CD1-CE2 3.66Å; L576-F598 HydrophobicContact CD1-CZ 4.16Å; L576-M699 HydrophobicContact CD2-CE 4.34Å |
| 577 | M | 82.1 | Confident | 89.8 | Confident | 47 Ų | 47 | 77.3 Ų | 77.3 | 23% | 0.232 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -93.2 | -1.8 | -179.5 | -63.5 | 177.2 | 65.6 | 0 | 0 | 112.4 | T459 I463 W536 H574 H575 | T459-M577 HydrophobicContact CG2-CE 3.44Å; T459-M577 VanDerWaalsContact CG2-CE 3.44Å; I463-M577 HydrophobicContact CD1-CE 3.87Å; I463-M577 HydrophobicContact CG1-CE 3.65Å; I463-M577 WeakPolarHBondContact CG2-O 3.44Å; W536-M577 HydrophobicContact CE3-CE 4.36Å; H574-M577 PolarHBondContact O-N 3.48Å; H574-M577 VanDerWaalsContact O-N 3.15Å; H575-M577 PolarHBondContact O-N 2.93Å |
| 578 | S | 87.7 | Confident | 90.2 | Very high | 44 Ų | 44 | 74 Ų | 74 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | trans | -94.5 | 152.2 | -175.1 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | H574 H575 T597 | H574-S578 PolarHBondContact O-OG 3.37Å; H575-S578 WeakPolarHBondContact O-CB 3.42Å; H575-S578 PolarHBondContact O-N 2.83Å; S578-T597 WeakPolarHBondContact CB-OG1 3.37Å; S578-T597 PolarHBondContact O-N 2.93Å; S578-T597 PolarHBondContact O-OG1 2.97Å | ||
| 579 | N | 90.2 | Very high | 90.4 | Very high | 63 Ų | 63 | 70.3 Ų | 70.3 | 34% | 0.337 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 169.1 | 178.1 | 70.1 | 49.2 | 0 | 0 | 0 | 110.6 | L464 V595 I689 | L464-N579 WeakPolarHBondContact CD2-ND2 3.16Å; N579-V595 CarbonylContact C-O 3.44Å; N579-V595 VanDerWaalsContact CA-O 3.29Å; N579-V595 WeakPolarHBondContact CA-O 3.22Å; N579-V595 WeakPolarHBondContact CB-O 3.43Å; N579-I689 HydrophobicContact CB-CD1 3.57Å; N579-I689 HydrophobicContact CB-CG1 4.39Å |
| 580 | G | 91.7 | Very high | 90.6 | Very high | 17 Ų | 17 | 66.4 Ų | 66.4 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 164.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | E594 V595 | G580-E594 WeakPolarHBondContact O-CA 3.41Å; G580-V595 PolarHBondContact N-O 3.21Å; G580-V595 PolarHBondContact O-N 3.11Å |
| 581 | I | 93.7 | Very high | 91.1 | Very high | 99 Ų | 99 | 58.4 Ų | 58.4 | 51% | 0.508 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122 | 172 | -59.1 | 171.4 | 0 | 0 | 0 | 107.3 | D592 L593 E594 | I581-D592 HydrophobicContact CG2-CB 4.01Å; I581-L593 CarbonylContact C-O 3.55Å; I581-L593 WeakPolarHBondContact CA-O 3.48Å; I581-E594 HydrophobicContact CG1-CB 4.22Å; I581-E594 HydrophobicContact CG1-CG 4.14Å |
| 582 | I | 94.5 | Very high | 91.3 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 147.2 | 177.7 | 65.9 | 171.9 | 0 | 0 | 0 | 110.1 | D592 L593 V595 L600 L603 F604 | I582-D592 WeakPolarHBondContact O-CA 2.96Å; I582-L593 HydrophobicContact CD1-CB 4.47Å; I582-L593 HydrophobicContact CG1-CB 3.87Å; I582-L593 PolarHBondContact N-O 3.18Å; I582-L593 PolarHBondContact O-N 3.17Å; I582-V595 HydrophobicContact CD1-CG1 4.45Å; I582-V595 HydrophobicContact CD1-CG2 4.06Å; I582-V595 HydrophobicContact CG1-CG2 4.04Å; I582-V595 HydrophobicContact CG2-CG2 4.13Å; I582-L600 HydrophobicContact CG2-CD1 3.66Å; I582-L600 HydrophobicContact CG2-CG 3.96Å; I582-L603 HydrophobicContact CD1-CB 4.27Å; I582-L603 HydrophobicContact CD1-CD1 3.58Å; I582-F604 HydrophobicContact CG2-CE2 4.01Å |
| 583 | T | 95 | Very high | 91.7 | Very high | 79 Ų | 79 | 53.2 Ų | 53.2 | 49% | 0.485 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 109.3 | 172.4 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | K585 Q590 | T583-K585 HydrophobicContact CG2-CG 4.22Å; T583-Q590 HydrophobicContact CG2-CG 3.5Å; T583-Q590 VanDerWaalsContact CG2-CG 3.5Å; T583-Q590 VanDerWaalsContact CG2-NE2 3.27Å |
| 584 | F | 95.3 | Very high | 91.9 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.7 | 176.3 | 179.5 | -93.2 | 0 | 0 | 0 | 110.5 | N586 Q590 Y591 L593 V647 V668 F672 | F584-N586 HydrophobicContact CE1-CB 4.01Å; F584-N586 HydrophobicContact CZ-CB 4.45Å; F584-Q590 CarbonylContact O-C 3.58Å; F584-Q590 WeakPolarHBondContact O-CA 3.16Å; F584-Y591 HydrophobicContact CD1-CD2 4.06Å; F584-Y591 PolarHBondContact N-O 2.79Å; F584-Y591 PolarHBondContact O-N 3.01Å; F584-L593 HydrophobicContact CB-CD1 3.41Å; F584-L593 VanDerWaalsContact CB-CD1 3.41Å; F584-L593 HydrophobicContact CB-CD2 4.45Å; F584-L593 HydrophobicContact CB-CG 3.63Å; F584-L593 HydrophobicContact CD1-CD1 4.4Å; F584-L593 HydrophobicContact CD2-CD1 3.92Å; F584-L593 HydrophobicContact CG-CD1 3.67Å; F584-L593 HydrophobicContact CG-CG 4.34Å; F584-V647 HydrophobicContact CD2-CG1 4.33Å; F584-V647 HydrophobicContact CE2-CG1 3.85Å; F584-V647 HydrophobicContact CZ-CG1 4.09Å; F584-V668 HydrophobicContact CE2-CG1 3.67Å; F584-V668 HydrophobicContact CZ-CG1 3.53Å; F584-F672 HydrophobicContact CD1-CD1 4.04Å; F584-F672 HydrophobicContact CD1-CE1 4.39Å; F584-F672 HydrophobicContact CE1-CB 4.23Å; F584-F672 AromaticContact CE1-CD1 3.65Å; F584-F672 HydrophobicContact CE1-CD1 3.65Å; F584-F672 HydrophobicContact CE1-CE1 4.38Å; F584-F672 HydrophobicContact CE1-CG 4.21Å |
| 585 | K | 95 | Very high | 92.3 | Very high | 144 Ų | 144 | 46.6 Ų | 46.6 | 63% | 0.626 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.4 | 177.7 | -68.5 | 178.9 | -179.3 | 177 | 0 | 110.1 | T583 Q590 | T583-K585 HydrophobicContact CG2-CG 4.22Å; K585-Q590 HydrophobicContact CG-CB 4.12Å; K585-Q590 HydrophobicContact CG-CG 3.86Å |
| 586 | N | 93.8 | Very high | 92.5 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | trans | -138.4 | -169.6 | 172.4 | 71.9 | -4.7 | 0 | 0 | 0 | 110.5 | F584 V588 G589 N669 Q670 F672 | F584-N586 HydrophobicContact CE1-CB 4.01Å; F584-N586 HydrophobicContact CZ-CB 4.45Å; N586-V588 PolarHBondContact O-N 3.35Å; N586-V588 PolarHBondContact OD1-N 3.43Å; N586-G589 PolarHBondContact N-O 3.11Å; N586-G589 VanDerWaalsContact N-O 3.09Å; N586-G589 PolarHBondContact OD1-N 2.98Å; N586-G589 PolarHBondContact OD1-O 3.28Å; N586-N669 PolarHBondContact ND2-O 3.26Å; N586-Q670 PolarHBondContact ND2-O 2.91Å; N586-F672 WeakPolarHBondContact ND2-CB 3.42Å; N586-F672 PolarHBondContact ND2-N 3.31Å; N586-F672 PolarHBondContact ND2-O 3.06Å | ||
| 587 | E | 94.9 | Very high | 93 | Very high | 121 Ų | 121 | 44 Ų | 44 | 57% | 0.565 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -67.6 | -21.9 | -179 | -63.6 | -177.2 | 173.4 | 0 | 0 | 113.8 | R611 Q670 | E587-R611 IonicContact OE1-CZ 2.73Å; E587-R611 IonicContact OE1-NE 2.66Å; E587-R611 IonicContact OE1-NH2 2.7Å; E587-R611 PolarHBondContact OE1-NH2 3.46Å; E587-Q670 HydrophobicContact CG-CB 4.1Å; E587-Q670 PolarHBondContact N-O 3.14Å |
| 588 | V | 94 | Very high | 93.4 | Very high | 41 Ų | 41 | 42.2 Ų | 42.2 | 25% | 0.248 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -89.8 | -40.2 | -178.3 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | N586 V680 | N586-V588 PolarHBondContact O-N 3.35Å; N586-V588 PolarHBondContact OD1-N 3.43Å; V588-V680 HydrophobicContact CG1-CG1 3.91Å |
| 589 | G | 93.6 | Very high | 93.7 | Very high | 16 Ų | 16 | 40.3 Ų | 40.3 | 17% | 0.165 | 21% | 0.212 | C | C | . | . | trans | -176.3 | -169 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N586 K682 | N586-G589 PolarHBondContact N-O 3.11Å; N586-G589 VanDerWaalsContact N-O 3.09Å; N586-G589 PolarHBondContact OD1-N 2.98Å; N586-G589 PolarHBondContact OD1-O 3.28Å; G589-K682 CarbonylContact C-O 3.47Å; G589-K682 VanDerWaalsContact CA-O 3.23Å; G589-K682 WeakPolarHBondContact CA-O 3.16Å | ||
| 590 | Q | 96.1 | Very high | 93.8 | Very high | 72 Ų | 72 | 37.9 Ų | 37.9 | 34% | 0.336 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 124.4 | -179 | 177.2 | -179.5 | -30.3 | 0 | 0 | 109.8 | T583 F584 K585 K682 R683 | T583-Q590 HydrophobicContact CG2-CG 3.5Å; T583-Q590 VanDerWaalsContact CG2-CG 3.5Å; T583-Q590 VanDerWaalsContact CG2-NE2 3.27Å; F584-Q590 CarbonylContact O-C 3.58Å; F584-Q590 WeakPolarHBondContact O-CA 3.16Å; K585-Q590 HydrophobicContact CG-CB 4.12Å; K585-Q590 HydrophobicContact CG-CG 3.86Å; Q590-K682 PolarHBondContact N-O 3.19Å; Q590-R683 VanDerWaalsContact O-CA 3.25Å; Q590-R683 WeakPolarHBondContact O-CA 3.34Å |
| 591 | Y | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.2 | -173.9 | -49.8 | -89 | 0 | 0 | 0 | 110.8 | F584 F672 S673 L674 Q681 G684 | F584-Y591 HydrophobicContact CD1-CD2 4.06Å; F584-Y591 PolarHBondContact N-O 2.79Å; F584-Y591 PolarHBondContact O-N 3.01Å; Y591-F672 HydrophobicContact CD1-CE1 4.3Å; Y591-F672 AromaticContact CD2-CD1 3.85Å; Y591-F672 HydrophobicContact CD2-CD1 3.85Å; Y591-F672 AromaticContact CD2-CE1 3.78Å; Y591-F672 HydrophobicContact CD2-CE1 3.78Å; Y591-F672 AromaticContact CE2-CD1 3.8Å; Y591-F672 HydrophobicContact CE2-CD1 3.8Å; Y591-F672 HydrophobicContact CE2-CE1 4.06Å; Y591-F672 HydrophobicContact CG-CD1 4.43Å; Y591-F672 AromaticContact CG-CE1 3.9Å; Y591-F672 HydrophobicContact CG-CE1 3.9Å; Y591-F672 PolarHBondContact OH-O 3.28Å; Y591-S673 VanDerWaalsContact OH-CA 3.25Å; Y591-S673 WeakPolarHBondContact OH-CA 3.5Å; Y591-S673 VanDerWaalsContact OH-CB 3.24Å; Y591-S673 WeakPolarHBondContact OH-CB 3.49Å; Y591-L674 HydrophobicContact CD1-CD1 3.97Å; Y591-L674 HydrophobicContact CD1-CG 4.07Å; Y591-L674 HydrophobicContact CE1-CB 4.25Å; Y591-L674 HydrophobicContact CE1-CD1 4.34Å; Y591-L674 HydrophobicContact CE1-CG 4.13Å; Y591-Q681 VanDerWaalsContact CE1-O 3.27Å; Y591-Q681 WeakPolarHBondContact CE1-O 3.47Å; Y591-Q681 PolarHBondContact OH-O 3.1Å; Y591-G684 CarbonylContact C-O 3.59Å; Y591-G684 WeakPolarHBondContact CA-O 3.34Å |
| 592 | D | 96.1 | Very high | 94 | Very high | 63 Ų | 63 | 32.7 Ų | 32.7 | 34% | 0.337 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 110.8 | 172.8 | -64.1 | -25.7 | 0 | 0 | 0 | 108.3 | I581 I582 G684 K685 I686 | I581-D592 HydrophobicContact CG2-CB 4.01Å; I582-D592 WeakPolarHBondContact O-CA 2.96Å; D592-G684 PolarHBondContact N-O 2.8Å; D592-K685 HydrophobicContact CB-CB 4.35Å; D592-K685 HydrophobicContact CB-CG 4.23Å; D592-K685 CarbonylContact O-C 3.55Å; D592-K685 VanDerWaalsContact O-CA 3.28Å; D592-K685 WeakPolarHBondContact O-CA 3.46Å; D592-I686 PolarHBondContact O-N 3.3Å |
| 593 | L | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 116.7 | 179.8 | -51.5 | -174.7 | 0 | 0 | 0 | 108.8 | I581 I582 F584 V595 V647 I686 L688 | I581-L593 CarbonylContact C-O 3.55Å; I581-L593 WeakPolarHBondContact CA-O 3.48Å; I582-L593 HydrophobicContact CD1-CB 4.47Å; I582-L593 HydrophobicContact CG1-CB 3.87Å; I582-L593 PolarHBondContact N-O 3.18Å; I582-L593 PolarHBondContact O-N 3.17Å; F584-L593 HydrophobicContact CB-CD1 3.41Å; F584-L593 VanDerWaalsContact CB-CD1 3.41Å; F584-L593 HydrophobicContact CB-CD2 4.45Å; F584-L593 HydrophobicContact CB-CG 3.63Å; F584-L593 HydrophobicContact CD1-CD1 4.4Å; F584-L593 HydrophobicContact CD2-CD1 3.92Å; F584-L593 HydrophobicContact CG-CD1 3.67Å; F584-L593 HydrophobicContact CG-CG 4.34Å; L593-V595 HydrophobicContact CB-CG1 3.93Å; L593-V647 HydrophobicContact CD1-CG1 4.19Å; L593-V647 HydrophobicContact CD1-CG2 4.49Å; L593-I686 HydrophobicContact CD2-CB 3.93Å; L593-I686 HydrophobicContact CD2-CD1 3.73Å; L593-I686 HydrophobicContact CD2-CG1 4.07Å; L593-L688 HydrophobicContact CB-CD1 4.07Å; L593-L688 HydrophobicContact CD1-CD1 3.88Å; L593-L688 HydrophobicContact CD2-CD1 4.11Å; L593-L688 HydrophobicContact CG-CD1 4.24Å |
| 594 | E | 93.1 | Very high | 94 | Very high | 31 Ų | 31 | 31.4 Ų | 31.4 | 15% | 0.145 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 113.5 | 168.6 | -172.5 | -170.6 | 166.3 | 0 | 0 | 107.9 | G580 I581 I686 N687 L688 I689 | G580-E594 WeakPolarHBondContact O-CA 3.41Å; I581-E594 HydrophobicContact CG1-CB 4.22Å; I581-E594 HydrophobicContact CG1-CG 4.14Å; E594-I686 PolarHBondContact N-O 3.25Å; E594-N687 PolarHBondContact OE1-ND2 3.37Å; E594-N687 PolarHBondContact OE2-ND2 3.4Å; E594-L688 WeakPolarHBondContact O-CA 3.43Å; E594-L688 PolarHBondContact O-N 2.97Å; E594-I689 HydrophobicContact CG-CD1 3.67Å; E594-I689 HydrophobicContact CG-CG1 4.19Å; E594-I689 PolarHBondContact O-N 2.79Å; E594-I689 VanDerWaalsContact O-N 3.17Å; E594-I689 WeakPolarHBondContact OE1-CD1 3.47Å |
| 595 | V | 92.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 155.2 | -166.9 | -69.9 | 0 | 0 | 0 | 0 | 110.9 | N579 G580 I582 L593 Q599 L600 L603 L688 | N579-V595 CarbonylContact C-O 3.44Å; N579-V595 VanDerWaalsContact CA-O 3.29Å; N579-V595 WeakPolarHBondContact CA-O 3.22Å; N579-V595 WeakPolarHBondContact CB-O 3.43Å; G580-V595 PolarHBondContact N-O 3.21Å; G580-V595 PolarHBondContact O-N 3.11Å; I582-V595 HydrophobicContact CD1-CG1 4.45Å; I582-V595 HydrophobicContact CD1-CG2 4.06Å; I582-V595 HydrophobicContact CG1-CG2 4.04Å; I582-V595 HydrophobicContact CG2-CG2 4.13Å; L593-V595 HydrophobicContact CB-CG1 3.93Å; V595-Q599 HydrophobicContact CB-CB 3.89Å; V595-Q599 HydrophobicContact CG1-CB 4.27Å; V595-L600 HydrophobicContact CG2-CB 3.94Å; V595-L600 HydrophobicContact CG2-CD1 4.37Å; V595-L600 HydrophobicContact CG2-CG 4.48Å; V595-L603 HydrophobicContact CG1-CD1 4.21Å; V595-L688 HydrophobicContact CG1-CB 4.05Å; V595-L688 HydrophobicContact CG1-CD1 3.99Å |
| 596 | T | 90.7 | Very high | 93.9 | Very high | 18 Ų | 18 | 24.9 Ų | 24.9 | 11% | 0.11 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 159.9 | 167.2 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | F598 Q599 L600 I689 L692 | T596-F598 PolarHBondContact O-N 3.21Å; T596-Q599 PolarHBondContact O-N 3.28Å; T596-Q599 WeakPolarHBondContact OG1-CB 3.04Å; T596-Q599 VanDerWaalsContact OG1-CG 3.29Å; T596-Q599 WeakPolarHBondContact OG1-CG 3.28Å; T596-Q599 PolarHBondContact OG1-N 3.13Å; T596-Q599 PolarHBondContact OG1-OE1 3.46Å; T596-L600 WeakPolarHBondContact O-CB 3.48Å; T596-L600 PolarHBondContact O-N 3.38Å; T596-I689 HydrophobicContact CG2-CG1 4.39Å; T596-I689 HydrophobicContact CG2-CG2 4.26Å; T596-L692 HydrophobicContact CG2-CD1 4.21Å; T596-L692 HydrophobicContact CG2-CD2 4.05Å; T596-L692 HydrophobicContact CG2-CG 3.75Å |
| 597 | T | 91 | Very high | 93.9 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 4% | 0.043 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.7 | -32.9 | 176.4 | -59.5 | 0 | 0 | 0 | 0 | 113.1 | L547 H575 S578 L600 A601 | L547-T597 HydrophobicContact CD2-CG2 3.46Å; L547-T597 VanDerWaalsContact CD2-CG2 3.46Å; H575-T597 HydrophobicContact CB-CG2 4.02Å; H575-T597 WeakPolarHBondContact O-CB 3.35Å; S578-T597 WeakPolarHBondContact CB-OG1 3.37Å; S578-T597 PolarHBondContact O-N 2.93Å; S578-T597 PolarHBondContact O-OG1 2.97Å; T597-L600 WeakPolarHBondContact O-CB 3.49Å; T597-L600 PolarHBondContact O-N 3.01Å; T597-A601 PolarHBondContact O-N 3.03Å |
| 598 | F | 91.2 | Very high | 93.6 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.1 | -42.7 | 176.3 | -62.6 | -12 | 0 | 0 | 0 | 112.4 | V543 V545 H575 L576 T596 L600 A601 V602 L625 E629 T633 | V543-F598 HydrophobicContact CB-CZ 3.96Å; V543-F598 HydrophobicContact CG1-CE1 4.21Å; V543-F598 HydrophobicContact CG1-CE2 4.13Å; V543-F598 HydrophobicContact CG1-CZ 3.53Å; V545-F598 HydrophobicContact CB-CD1 4.34Å; V545-F598 HydrophobicContact CB-CE1 4.18Å; V545-F598 HydrophobicContact CG1-CD1 4.44Å; V545-F598 HydrophobicContact CG1-CE1 4.08Å; V545-F598 HydrophobicContact CG2-CD1 4.16Å; H575-F598 HydrophobicContact CB-CE1 4.2Å; L576-F598 HydrophobicContact CB-CZ 4.16Å; L576-F598 HydrophobicContact CD1-CD2 4.4Å; L576-F598 HydrophobicContact CD1-CE2 3.66Å; L576-F598 HydrophobicContact CD1-CZ 4.16Å; T596-F598 PolarHBondContact O-N 3.21Å; F598-L600 VanDerWaalsContact C-N 3.26Å; F598-L600 PolarHBondContact O-N 3.28Å; F598-A601 PolarHBondContact O-N 3.22Å; F598-V602 WeakPolarHBondContact O-CG2 3.37Å; F598-V602 PolarHBondContact O-N 3.38Å; F598-L625 HydrophobicContact CB-CD1 4.06Å; F598-L625 HydrophobicContact CB-CD2 4.34Å; F598-L625 HydrophobicContact CD1-CD2 3.62Å; F598-L625 HydrophobicContact CD2-CD2 4.1Å; F598-L625 HydrophobicContact CE1-CD2 3.83Å; F598-L625 HydrophobicContact CE2-CD2 4.28Å; F598-L625 HydrophobicContact CG-CD1 4.38Å; F598-L625 HydrophobicContact CG-CD2 3.77Å; F598-L625 HydrophobicContact CZ-CD2 4.17Å; F598-E629 HydrophobicContact CE2-CG 4.46Å; F598-T633 HydrophobicContact CB-CG2 4Å |
| 599 | Q | 93.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.023 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -38.8 | 172.6 | -73.9 | 167.9 | -30 | 0 | 0 | 111.1 | V595 T596 V602 L603 T633 S636 L637 L688 | V595-Q599 HydrophobicContact CB-CB 3.89Å; V595-Q599 HydrophobicContact CG1-CB 4.27Å; T596-Q599 PolarHBondContact O-N 3.28Å; T596-Q599 WeakPolarHBondContact OG1-CB 3.04Å; T596-Q599 VanDerWaalsContact OG1-CG 3.29Å; T596-Q599 WeakPolarHBondContact OG1-CG 3.28Å; T596-Q599 PolarHBondContact OG1-N 3.13Å; T596-Q599 PolarHBondContact OG1-OE1 3.46Å; Q599-V602 PolarHBondContact O-N 3.45Å; Q599-L603 WeakPolarHBondContact O-CB 3.48Å; Q599-L603 VanDerWaalsContact O-CG 3.25Å; Q599-L603 WeakPolarHBondContact O-CG 3.32Å; Q599-L603 PolarHBondContact O-N 3.32Å; Q599-T633 HydrophobicContact CB-CG2 4.4Å; Q599-T633 HydrophobicContact CG-CG2 3.92Å; Q599-S636 PolarHBondContact NE2-OG 2.87Å; Q599-L637 HydrophobicContact CB-CD2 4.28Å; Q599-L637 HydrophobicContact CG-CD1 4.42Å; Q599-L637 HydrophobicContact CG-CD2 4.05Å; Q599-L637 HydrophobicContact CG-CG 4.22Å; Q599-L688 PolarHBondContact NE2-O 2.92Å |
| 600 | L | 93.9 | Very high | 93.4 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -50.3 | 176.4 | -171.6 | 155.3 | 0 | 0 | 0 | 111 | P548 L551 I582 V595 T596 T597 F598 V602 L603 F604 | P548-L600 HydrophobicContact CG-CD2 3.4Å; P548-L600 VanDerWaalsContact CG-CD2 3.4Å; L551-L600 HydrophobicContact CD1-CD1 4.49Å; L551-L600 HydrophobicContact CD1-CD2 4.05Å; I582-L600 HydrophobicContact CG2-CD1 3.66Å; I582-L600 HydrophobicContact CG2-CG 3.96Å; V595-L600 HydrophobicContact CG2-CB 3.94Å; V595-L600 HydrophobicContact CG2-CD1 4.37Å; V595-L600 HydrophobicContact CG2-CG 4.48Å; T596-L600 WeakPolarHBondContact O-CB 3.48Å; T596-L600 PolarHBondContact O-N 3.38Å; T597-L600 WeakPolarHBondContact O-CB 3.49Å; T597-L600 PolarHBondContact O-N 3.01Å; F598-L600 VanDerWaalsContact C-N 3.26Å; F598-L600 PolarHBondContact O-N 3.28Å; L600-V602 VanDerWaalsContact C-N 3.32Å; L600-V602 PolarHBondContact O-N 3.35Å; L600-L603 PolarHBondContact O-N 3.03Å; L600-F604 HydrophobicContact CD2-CD2 3.93Å; L600-F604 HydrophobicContact CD2-CE2 3.89Å; L600-F604 HydrophobicContact CD2-CG 4.47Å; L600-F604 HydrophobicContact CD2-CZ 4.4Å; L600-F604 HydrophobicContact CG-CD2 4.13Å; L600-F604 HydrophobicContact CG-CE2 3.93Å; L600-F604 VanDerWaalsContact O-CD2 3.22Å; L600-F604 WeakPolarHBondContact O-CD2 3.04Å; L600-F604 PolarHBondContact O-N 3.26Å |
| 601 | A | 93.5 | Very high | 93.2 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.9 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V545 T597 F598 T623 | V545-A601 HydrophobicContact CG2-CB 3.76Å; T597-A601 PolarHBondContact O-N 3.03Å; F598-A601 PolarHBondContact O-N 3.22Å; A601-T623 HydrophobicContact CB-CG2 4.34Å |
| 602 | V | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -49.4 | 176.3 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | F598 Q599 L600 F604 A605 W606 T623 L625 L630 T633 L634 L637 L648 | F598-V602 WeakPolarHBondContact O-CG2 3.37Å; F598-V602 PolarHBondContact O-N 3.38Å; Q599-V602 PolarHBondContact O-N 3.45Å; L600-V602 VanDerWaalsContact C-N 3.32Å; L600-V602 PolarHBondContact O-N 3.35Å; V602-F604 VanDerWaalsContact C-N 3.3Å; V602-F604 PolarHBondContact O-N 3.3Å; V602-A605 VanDerWaalsContact O-CB 3.24Å; V602-A605 WeakPolarHBondContact O-CB 3.33Å; V602-A605 PolarHBondContact O-N 3.2Å; V602-W606 HydrophobicContact CG1-CZ3 3.95Å; V602-W606 WeakPolarHBondContact O-CZ3 3.47Å; V602-T623 HydrophobicContact CG2-CG2 4.01Å; V602-L625 HydrophobicContact CG2-CD1 4.13Å; V602-L630 HydrophobicContact CG2-CD1 3.78Å; V602-T633 HydrophobicContact CB-CG2 4.4Å; V602-T633 HydrophobicContact CG2-CG2 3.78Å; V602-L634 HydrophobicContact CG1-CD2 3.67Å; V602-L637 HydrophobicContact CB-CD1 4.33Å; V602-L637 HydrophobicContact CG1-CD1 3.83Å; V602-L648 HydrophobicContact CG1-CD1 4.42Å |
| 603 | L | 95.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.063 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.2 | -33.1 | -176.1 | -71.5 | 170.4 | 0 | 0 | 0 | 112.5 | I582 V595 Q599 L600 A605 W606 L637 V647 L648 | I582-L603 HydrophobicContact CD1-CB 4.27Å; I582-L603 HydrophobicContact CD1-CD1 3.58Å; V595-L603 HydrophobicContact CG1-CD1 4.21Å; Q599-L603 WeakPolarHBondContact O-CB 3.48Å; Q599-L603 VanDerWaalsContact O-CG 3.25Å; Q599-L603 WeakPolarHBondContact O-CG 3.32Å; Q599-L603 PolarHBondContact O-N 3.32Å; L600-L603 PolarHBondContact O-N 3.03Å; L603-A605 PolarHBondContact O-N 3.48Å; L603-W606 PolarHBondContact O-N 3.47Å; L603-L637 HydrophobicContact CD1-CD2 4.15Å; L603-L637 HydrophobicContact CD2-CD1 4.16Å; L603-L637 HydrophobicContact CD2-CD2 4.5Å; L603-L637 HydrophobicContact CG-CD1 4.11Å; L603-L637 HydrophobicContact CG-CD2 4.47Å; L603-V647 HydrophobicContact CD2-CG1 4Å; L603-L648 HydrophobicContact CD2-CD1 4.43Å; L603-L648 HydrophobicContact CD2-CD2 4.07Å; L603-L648 HydrophobicContact CD2-CG 4.28Å |
| 604 | F | 94.3 | Very high | 93.2 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 27% | 0.272 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.6 | -19 | 177.9 | -90.9 | -119.8 | 0 | 0 | 0 | 113.3 | P548 I582 L600 V602 W606 N607 | P548-F604 HydrophobicContact CB-CD1 3.44Å; P548-F604 VanDerWaalsContact CB-CD1 3.44Å; P548-F604 HydrophobicContact CB-CE1 3.6Å; P548-F604 HydrophobicContact CB-CG 4.23Å; P548-F604 HydrophobicContact CB-CZ 4.49Å; P548-F604 HydrophobicContact CG-CB 4.05Å; P548-F604 HydrophobicContact CG-CD1 3.31Å; P548-F604 HydrophobicContact CG-CD2 4.19Å; P548-F604 HydrophobicContact CG-CE1 3.7Å; P548-F604 HydrophobicContact CG-CG 3.59Å; P548-F604 HydrophobicContact CG-CZ 4.28Å; I582-F604 HydrophobicContact CG2-CE2 4.01Å; L600-F604 HydrophobicContact CD2-CD2 3.93Å; L600-F604 HydrophobicContact CD2-CE2 3.89Å; L600-F604 HydrophobicContact CD2-CG 4.47Å; L600-F604 HydrophobicContact CD2-CZ 4.4Å; L600-F604 HydrophobicContact CG-CD2 4.13Å; L600-F604 HydrophobicContact CG-CE2 3.93Å; L600-F604 VanDerWaalsContact O-CD2 3.22Å; L600-F604 WeakPolarHBondContact O-CD2 3.04Å; L600-F604 PolarHBondContact O-N 3.26Å; V602-F604 VanDerWaalsContact C-N 3.3Å; V602-F604 PolarHBondContact O-N 3.3Å; F604-W606 PolarHBondContact O-N 3.5Å; F604-N607 WeakPolarHBondContact CD1-ND2 3.49Å; F604-N607 PolarHBondContact O-N 3.48Å; F604-N607 VanDerWaalsContact O-N 3.08Å |
| 605 | A | 94.4 | Very high | 93.4 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -18.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V602 L603 R609 I614 L619 | V602-A605 VanDerWaalsContact O-CB 3.24Å; V602-A605 WeakPolarHBondContact O-CB 3.33Å; V602-A605 PolarHBondContact O-N 3.2Å; L603-A605 PolarHBondContact O-N 3.48Å; A605-R609 WeakPolarHBondContact O-CG 3.25Å; A605-R609 PolarHBondContact O-NE 2.86Å; A605-I614 HydrophobicContact CB-CD1 4.21Å; A605-L619 HydrophobicContact CB-CD2 3.78Å |
| 606 | W | 95.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -4.2 | 177.6 | -75.6 | -86.4 | 0 | 0 | 0 | 115 | V602 L603 F604 Q608 R609 P610 E612 I614 L619 L648 F666 V668 | V602-W606 HydrophobicContact CG1-CZ3 3.95Å; V602-W606 WeakPolarHBondContact O-CZ3 3.47Å; L603-W606 PolarHBondContact O-N 3.47Å; F604-W606 PolarHBondContact O-N 3.5Å; W606-Q608 VanDerWaalsContact C-N 3.3Å; W606-Q608 PolarHBondContact O-N 3.02Å; W606-R609 CarbonylContact O-C 3.58Å; W606-R609 PolarHBondContact O-N 3.39Å; W606-P610 WeakPolarHBondContact O-CA 3.46Å; W606-P610 VanDerWaalsContact O-N 3.14Å; W606-E612 PolarHBondContact NE1-O 3.07Å; W606-I614 HydrophobicContact CD2-CD1 3.87Å; W606-I614 HydrophobicContact CG-CD1 4.1Å; W606-I614 HydrophobicContact CZ2-CB 4.12Å; W606-I614 HydrophobicContact CZ2-CD1 3.94Å; W606-I614 HydrophobicContact CZ2-CG1 4.11Å; W606-L619 HydrophobicContact CH2-CD1 3.78Å; W606-L619 HydrophobicContact CH2-CD2 3.7Å; W606-L619 HydrophobicContact CH2-CG 4.37Å; W606-L619 HydrophobicContact CZ2-CD1 4.37Å; W606-L619 HydrophobicContact CZ2-CD2 4.32Å; W606-L619 HydrophobicContact CZ3-CD2 3.91Å; W606-L648 HydrophobicContact CE3-CD2 4.46Å; W606-L648 HydrophobicContact CH2-CD1 3.97Å; W606-L648 HydrophobicContact CH2-CD2 4.21Å; W606-L648 HydrophobicContact CZ3-CD1 4.06Å; W606-L648 HydrophobicContact CZ3-CD2 4.17Å; W606-F666 HydrophobicContact CH2-CB 3.98Å; W606-F666 HydrophobicContact CZ2-CB 3.85Å; W606-F666 WeakPolarHBondContact CZ2-O 3.44Å; W606-V668 HydrophobicContact CB-CG2 3.7Å; W606-V668 HydrophobicContact CD2-CG2 3.81Å; W606-V668 HydrophobicContact CE3-CG2 4.43Å; W606-V668 HydrophobicContact CG-CG2 3.46Å; W606-V668 VanDerWaalsContact CG-CG2 3.46Å |
| 607 | N | 92.2 | Very high | 93.9 | Very high | 104 Ų | 104 | 53.2 Ų | 53.2 | 56% | 0.556 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -39.2 | -176 | -81.3 | -9.7 | 0 | 0 | 0 | 113 | F604 | F604-N607 WeakPolarHBondContact CD1-ND2 3.49Å; F604-N607 PolarHBondContact O-N 3.48Å; F604-N607 VanDerWaalsContact O-N 3.08Å |
| 608 | Q | 88.7 | Confident | 94.2 | Very high | 196 Ų | 196 | 56.5 Ų | 56.5 | 92% | 0.916 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -12.3 | 177.8 | -64.2 | 179.4 | -1.7 | 0 | 0 | 113.3 | W606 | W606-Q608 VanDerWaalsContact C-N 3.3Å; W606-Q608 PolarHBondContact O-N 3.02Å |
| 609 | R | 92.5 | Very high | 94.4 | Very high | 78 Ų | 78 | 56.1 Ų | 56.1 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | trans | -140.9 | 64.2 | -174.2 | 52 | 179.3 | 163.4 | -171.5 | -4.6 | 112.3 | A605 W606 R611 E612 I614 | A605-R609 WeakPolarHBondContact O-CG 3.25Å; A605-R609 PolarHBondContact O-NE 2.86Å; W606-R609 CarbonylContact O-C 3.58Å; W606-R609 PolarHBondContact O-N 3.39Å; R609-R611 PolarHBondContact O-N 3.28Å; R609-E612 HydrophobicContact CB-CB 4.06Å; R609-E612 HydrophobicContact CB-CG 3.88Å; R609-E612 WeakPolarHBondContact CD-OE2 3.24Å; R609-E612 HydrophobicContact CG-CB 4.43Å; R609-E612 PolarHBondContact O-N 2.92Å; R609-I614 HydrophobicContact CG-CD1 4.4Å; R609-I614 VanDerWaalsContact NE-CD1 3.35Å | ||
| 610 | P | 90.9 | Very high | 94.5 | Very high | 73 Ų | 73 | 59.2 Ų | 59.2 | 47% | 0.474 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.5 | -165.6 | -23.9 | 35.5 | 0 | 0 | 0 | 115.6 | W606 Q670 | W606-P610 WeakPolarHBondContact O-CA 3.46Å; W606-P610 VanDerWaalsContact O-N 3.14Å; P610-Q670 PolarHBondContact O-NE2 2.94Å |
| 611 | R | 92.4 | Very high | 94.5 | Very high | 194 Ų | 194 | 64.4 Ų | 64.4 | 73% | 0.732 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | 2.4 | -176 | -67 | -172.9 | 170.6 | -176.4 | -2.5 | 114 | E587 R609 | E587-R611 IonicContact OE1-CZ 2.73Å; E587-R611 IonicContact OE1-NE 2.66Å; E587-R611 IonicContact OE1-NH2 2.7Å; E587-R611 PolarHBondContact OE1-NH2 3.46Å; R609-R611 PolarHBondContact O-N 3.28Å |
| 612 | E | 94.5 | Very high | 94.5 | Very high | 104 Ų | 104 | 66.2 Ų | 66.2 | 49% | 0.486 | 32% | 0.323 | S | S | . | . | trans | -81.3 | 150.6 | -179.1 | -72.3 | -175.5 | -165.5 | 0 | 0 | 112.8 | W606 R609 | W606-E612 PolarHBondContact NE1-O 3.07Å; R609-E612 HydrophobicContact CB-CB 4.06Å; R609-E612 HydrophobicContact CB-CG 3.88Å; R609-E612 WeakPolarHBondContact CD-OE2 3.24Å; R609-E612 HydrophobicContact CG-CB 4.43Å; R609-E612 PolarHBondContact O-N 2.92Å | ||
| 613 | K | 96.4 | Very high | 94.4 | Very high | 109 Ų | 109 | 66.3 Ų | 66.3 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | trans | -92.2 | 121.5 | 167.1 | -67.1 | -175.3 | 176.3 | -176.7 | 0 | 108.4 | E651 L665 F666 | K613-E651 VanDerWaalsContact CD-OE1 3.28Å; K613-E651 WeakPolarHBondContact CD-OE1 3.23Å; K613-E651 WeakPolarHBondContact CE-OE1 3.32Å; K613-E651 IonicContact NZ-OE1 3.64Å; K613-E651 PolarHBondContact NZ-OE1 2.91Å; K613-E651 IonicContact NZ-OE2 2.66Å; K613-E651 PolarHBondContact NZ-OE2 3.49Å; K613-L665 HydrophobicContact CB-CB 4.28Å; K613-L665 HydrophobicContact CB-CD1 4.46Å; K613-L665 HydrophobicContact CD-CD1 4.34Å; K613-F666 CarbonylContact C-O 3.57Å; K613-F666 VanDerWaalsContact CA-O 3.3Å; K613-F666 WeakPolarHBondContact CA-O 3.44Å | ||
| 614 | I | 96.7 | Very high | 94.4 | Very high | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.8 | -178.2 | -49.6 | 176.8 | 0 | 0 | 0 | 108.6 | A605 W606 R609 N618 L619 F666 | A605-I614 HydrophobicContact CB-CD1 4.21Å; W606-I614 HydrophobicContact CD2-CD1 3.87Å; W606-I614 HydrophobicContact CG-CD1 4.1Å; W606-I614 HydrophobicContact CZ2-CB 4.12Å; W606-I614 HydrophobicContact CZ2-CD1 3.94Å; W606-I614 HydrophobicContact CZ2-CG1 4.11Å; R609-I614 HydrophobicContact CG-CD1 4.4Å; R609-I614 VanDerWaalsContact NE-CD1 3.35Å; I614-N618 HydrophobicContact CG2-CB 3.63Å; I614-L619 HydrophobicContact CB-CD2 4.21Å; I614-L619 HydrophobicContact CB-CG 4.13Å; I614-L619 HydrophobicContact CD1-CD2 4.22Å; I614-L619 HydrophobicContact CG2-CD2 3.87Å; I614-L619 HydrophobicContact CG2-CG 3.67Å; I614-F666 PolarHBondContact N-O 3.29Å; I614-F666 PolarHBondContact O-N 3.17Å |
| 615 | S | 97.2 | Very high | 94.3 | Very high | 16 Ų | 16 | 68.6 Ų | 68.6 | 11% | 0.112 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 156.9 | 175.7 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | E617 N618 L619 T664 | S615-E617 VanDerWaalsContact C-N 3.25Å; S615-E617 PolarHBondContact O-N 3.2Å; S615-N618 PolarHBondContact O-N 2.95Å; S615-N618 WeakPolarHBondContact OG-CB 3.45Å; S615-N618 PolarHBondContact OG-N 3.4Å; S615-N618 PolarHBondContact OG-ND2 3.12Å; S615-L619 WeakPolarHBondContact O-CG 3.28Å; S615-L619 PolarHBondContact O-N 3.19Å; S615-T664 CarbonylContact C-O 3.52Å; S615-T664 WeakPolarHBondContact CA-O 3.43Å |
| 616 | F | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -52.9 | -45.5 | 172 | -177.7 | -90.9 | 0 | 0 | 0 | 111.5 | N618 L619 K620 D627 L630 R631 L634 F660 T661 E662 T664 F666 | F616-N618 PolarHBondContact O-N 3.01Å; F616-L619 PolarHBondContact O-N 3.06Å; F616-K620 HydrophobicContact CE1-CD 4.29Å; F616-K620 WeakPolarHBondContact O-CB 3.44Å; F616-K620 PolarHBondContact O-N 2.71Å; F616-D627 WeakPolarHBondContact CE1-OD1 3.02Å; F616-L630 HydrophobicContact CD2-CD2 4.21Å; F616-L630 HydrophobicContact CD2-CG 4.47Å; F616-L630 HydrophobicContact CE1-CD2 4.24Å; F616-L630 HydrophobicContact CE2-CB 4.36Å; F616-L630 HydrophobicContact CE2-CD2 3.77Å; F616-L630 HydrophobicContact CE2-CG 3.82Å; F616-L630 HydrophobicContact CZ-CB 4.33Å; F616-L630 HydrophobicContact CZ-CD2 3.78Å; F616-L630 HydrophobicContact CZ-CG 4.13Å; F616-R631 HydrophobicContact CE2-CB 4.5Å; F616-R631 HydrophobicContact CE2-CG 3.56Å; F616-R631 HydrophobicContact CZ-CG 3.61Å; F616-L634 HydrophobicContact CD2-CD1 3.68Å; F616-L634 HydrophobicContact CE2-CD1 3.93Å; F616-F660 HydrophobicContact CD2-CB 4.37Å; F616-T661 VanDerWaalsContact CB-O 3.25Å; F616-T661 WeakPolarHBondContact CB-O 3.44Å; F616-E662 WeakPolarHBondContact CD1-OE2 3.46Å; F616-E662 PolarHBondContact N-O 3.24Å; F616-T664 PolarHBondContact N-O 3.37Å; F616-F666 HydrophobicContact CB-CE2 4.07Å; F616-F666 HydrophobicContact CD2-CE2 4.23Å |
| 617 | E | 96.7 | Very high | 93.8 | Very high | 103 Ų | 103 | 72.8 Ų | 72.8 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.5 | -47.5 | 177.5 | -175.6 | 178.9 | -165.6 | 0 | 0 | 112 | S615 L619 K620 L621 E662 | S615-E617 VanDerWaalsContact C-N 3.25Å; S615-E617 PolarHBondContact O-N 3.2Å; E617-L619 PolarHBondContact O-N 2.98Å; E617-K620 WeakPolarHBondContact O-CB 3.36Å; E617-K620 PolarHBondContact O-N 3.04Å; E617-L621 WeakPolarHBondContact O-CG 3.33Å; E617-L621 PolarHBondContact O-N 3.35Å; E617-E662 WeakPolarHBondContact CA-OE2 3.48Å; E617-E662 HydrophobicContact CB-CB 4.27Å; E617-E662 WeakPolarHBondContact CB-OE2 3.14Å; E617-E662 PolarHBondContact N-O 2.76Å |
| 618 | N | 96.2 | Very high | 93.6 | Very high | 77 Ų | 77 | 70.3 Ų | 70.3 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69 | -34.8 | -179.5 | -76.8 | -24.4 | 0 | 0 | 0 | 112.4 | I614 S615 F616 K620 L621 A622 | I614-N618 HydrophobicContact CG2-CB 3.63Å; S615-N618 PolarHBondContact O-N 2.95Å; S615-N618 WeakPolarHBondContact OG-CB 3.45Å; S615-N618 PolarHBondContact OG-N 3.4Å; S615-N618 PolarHBondContact OG-ND2 3.12Å; F616-N618 PolarHBondContact O-N 3.01Å; N618-K620 VanDerWaalsContact C-N 3.35Å; N618-L621 PolarHBondContact O-N 3.26Å; N618-A622 VanDerWaalsContact O-CB 3.3Å; N618-A622 WeakPolarHBondContact O-CB 3.48Å; N618-A622 PolarHBondContact O-N 2.96Å |
| 619 | L | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.6 | -37 | 173.7 | -71.7 | 168.6 | 0 | 0 | 0 | 111.7 | A605 W606 I614 S615 F616 E617 A622 T623 L630 L634 F666 | A605-L619 HydrophobicContact CB-CD2 3.78Å; W606-L619 HydrophobicContact CH2-CD1 3.78Å; W606-L619 HydrophobicContact CH2-CD2 3.7Å; W606-L619 HydrophobicContact CH2-CG 4.37Å; W606-L619 HydrophobicContact CZ2-CD1 4.37Å; W606-L619 HydrophobicContact CZ2-CD2 4.32Å; W606-L619 HydrophobicContact CZ3-CD2 3.91Å; I614-L619 HydrophobicContact CB-CD2 4.21Å; I614-L619 HydrophobicContact CB-CG 4.13Å; I614-L619 HydrophobicContact CD1-CD2 4.22Å; I614-L619 HydrophobicContact CG2-CD2 3.87Å; I614-L619 HydrophobicContact CG2-CG 3.67Å; S615-L619 WeakPolarHBondContact O-CG 3.28Å; S615-L619 PolarHBondContact O-N 3.19Å; F616-L619 PolarHBondContact O-N 3.06Å; E617-L619 PolarHBondContact O-N 2.98Å; L619-A622 PolarHBondContact O-N 3.28Å; L619-T623 WeakPolarHBondContact O-CB 3.14Å; L619-T623 WeakPolarHBondContact O-CG2 3.33Å; L619-T623 PolarHBondContact O-N 3.4Å; L619-T623 PolarHBondContact O-OG1 3.48Å; L619-L630 HydrophobicContact CB-CD2 4.4Å; L619-L634 HydrophobicContact CD1-CD1 4.26Å; L619-L634 HydrophobicContact CD1-CD2 3.9Å; L619-F666 HydrophobicContact CD1-CB 4.05Å; L619-F666 HydrophobicContact CD1-CD2 3.76Å; L619-F666 HydrophobicContact CD1-CG 4.07Å |
| 620 | K | 95.3 | Very high | 93.5 | Very high | 69 Ų | 69 | 58.8 Ų | 58.8 | 30% | 0.3 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 174.7 | -173 | -179 | 178.1 | 178.1 | 0 | 111.8 | F616 E617 N618 E624 D627 L630 E662 | F616-K620 HydrophobicContact CE1-CD 4.29Å; F616-K620 WeakPolarHBondContact O-CB 3.44Å; F616-K620 PolarHBondContact O-N 2.71Å; E617-K620 WeakPolarHBondContact O-CB 3.36Å; E617-K620 PolarHBondContact O-N 3.04Å; N618-K620 VanDerWaalsContact C-N 3.35Å; K620-E624 WeakPolarHBondContact O-CA 3.12Å; K620-E624 PolarHBondContact O-N 2.83Å; K620-D627 IonicContact NZ-OD1 2.93Å; K620-L630 VanDerWaalsContact CA-CD2 3.47Å; K620-L630 HydrophobicContact CB-CD2 3.54Å; K620-L630 HydrophobicContact CG-CD2 4.17Å; K620-E662 IonicContact NZ-OE1 3.79Å |
| 621 | L | 94.5 | Very high | 93.5 | Very high | 121 Ų | 121 | 57 Ų | 57 | 63% | 0.634 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 174.3 | -68.6 | 172.2 | 0 | 0 | 0 | 112 | E617 N618 T623 | E617-L621 WeakPolarHBondContact O-CG 3.33Å; E617-L621 PolarHBondContact O-N 3.35Å; N618-L621 PolarHBondContact O-N 3.26Å; L621-T623 PolarHBondContact O-N 3.3Å |
| 622 | A | 93.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.3 | -32.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N618 L619 | N618-A622 VanDerWaalsContact O-CB 3.3Å; N618-A622 WeakPolarHBondContact O-CB 3.48Å; N618-A622 PolarHBondContact O-N 2.96Å; L619-A622 PolarHBondContact O-N 3.28Å |
| 623 | T | 93.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -102 | -14.7 | -176 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | V545 S546 A601 V602 L619 L621 L625 | V545-T623 WeakPolarHBondContact CA-O 3.4Å; S546-T623 PolarHBondContact N-O 2.96Å; A601-T623 HydrophobicContact CB-CG2 4.34Å; V602-T623 HydrophobicContact CG2-CG2 4.01Å; L619-T623 WeakPolarHBondContact O-CB 3.14Å; L619-T623 WeakPolarHBondContact O-CG2 3.33Å; L619-T623 PolarHBondContact O-N 3.4Å; L619-T623 PolarHBondContact O-OG1 3.48Å; L621-T623 PolarHBondContact O-N 3.3Å; T623-L625 PolarHBondContact O-N 3.01Å |
| 624 | E | 94.3 | Very high | 93 | Very high | 119 Ų | 119 | 41 Ų | 41 | 56% | 0.556 | 22% | 0.218 | S | C | * | . | trans | 54.5 | 15 | -172.6 | -64.6 | -173.6 | 176.6 | 0 | 0 | 115 | S546 K620 | S546-E624 VanDerWaalsContact OG-CG 3.29Å; S546-E624 WeakPolarHBondContact OG-CG 3.39Å; K620-E624 WeakPolarHBondContact O-CA 3.12Å; K620-E624 PolarHBondContact O-N 2.83Å | ||
| 625 | L | 91.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | trans | -69.2 | 138.4 | 179.2 | -74.5 | 171.6 | 0 | 0 | 0 | 110.7 | V543 V545 F598 V602 T623 L630 | V543-L625 HydrophobicContact CG1-CD2 4.31Å; V545-L625 HydrophobicContact CB-CD2 3.89Å; V545-L625 HydrophobicContact CG2-CD2 3.87Å; V545-L625 HydrophobicContact CG2-CG 4.18Å; F598-L625 HydrophobicContact CB-CD1 4.06Å; F598-L625 HydrophobicContact CB-CD2 4.34Å; F598-L625 HydrophobicContact CD1-CD2 3.62Å; F598-L625 HydrophobicContact CD2-CD2 4.1Å; F598-L625 HydrophobicContact CE1-CD2 3.83Å; F598-L625 HydrophobicContact CE2-CD2 4.28Å; F598-L625 HydrophobicContact CG-CD1 4.38Å; F598-L625 HydrophobicContact CG-CD2 3.77Å; F598-L625 HydrophobicContact CZ-CD2 4.17Å; V602-L625 HydrophobicContact CG2-CD1 4.13Å; T623-L625 PolarHBondContact O-N 3.01Å; L625-L630 HydrophobicContact CB-CB 4.06Å; L625-L630 HydrophobicContact CD1-CD1 4.25Å | ||
| 626 | P | 90 | Very high | 92.4 | Very high | 59 Ų | 59 | 44.6 Ų | 44.6 | 38% | 0.383 | 23% | 0.234 | S | C | . | . | trans | -55.4 | 144 | 170.1 | -24.8 | 33.9 | 0 | 0 | 0 | 111.2 | V543 A628 E629 L630 | V543-P626 HydrophobicContact CG1-CG 4Å; P626-A628 VanDerWaalsContact C-N 3.27Å; P626-A628 PolarHBondContact O-N 2.91Å; P626-A628 VanDerWaalsContact O-N 3.12Å; P626-E629 HydrophobicContact CB-CB 4.5Å; P626-E629 HydrophobicContact CB-CG 4.25Å; P626-E629 HydrophobicContact CG-CG 4.28Å; P626-E629 WeakPolarHBondContact O-CA 3.4Å; P626-E629 WeakPolarHBondContact O-CB 3.25Å; P626-E629 PolarHBondContact O-N 2.76Å; P626-L630 PolarHBondContact O-N 3.49Å | ||
| 627 | D | 90.5 | Very high | 92.2 | Very high | 53 Ų | 53 | 44.7 Ų | 44.7 | 28% | 0.283 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -48.1 | -46.6 | -175.4 | 175.8 | 93.8 | 0 | 0 | 0 | 113.1 | F616 K620 E629 L630 R631 | F616-D627 WeakPolarHBondContact CE1-OD1 3.02Å; K620-D627 IonicContact NZ-OD1 2.93Å; D627-E629 PolarHBondContact O-N 3.38Å; D627-L630 PolarHBondContact O-N 3.15Å; D627-R631 VanDerWaalsContact CG-NE 3.26Å; D627-R631 VanDerWaalsContact O-CG 3.25Å; D627-R631 WeakPolarHBondContact O-CG 3.49Å; D627-R631 PolarHBondContact O-N 3.07Å; D627-R631 IonicContact OD1-CZ 2.66Å; D627-R631 IonicContact OD1-NE 3.42Å; D627-R631 PolarHBondContact OD1-NE 2.95Å; D627-R631 IonicContact OD1-NH2 3.33Å; D627-R631 PolarHBondContact OD1-NH2 3.3Å; D627-R631 WeakPolarHBondContact OD2-CD 3.44Å; D627-R631 IonicContact OD2-CZ 3.97Å; D627-R631 IonicContact OD2-NE 3.57Å; D627-R631 PolarHBondContact OD2-NE 2.5Å; D627-R631 IonicContact OD2-NH2 3.22Å |
| 628 | A | 86.8 | Confident | 92 | Very high | 52 Ų | 52 | 40.2 Ų | 40.2 | 43% | 0.43 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.3 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P626 R632 | P626-A628 VanDerWaalsContact C-N 3.27Å; P626-A628 PolarHBondContact O-N 2.91Å; P626-A628 VanDerWaalsContact O-N 3.12Å; A628-R632 WeakPolarHBondContact O-CG 3.33Å; A628-R632 PolarHBondContact O-N 2.7Å; A628-R632 PolarHBondContact O-NE 3.03Å |
| 629 | E | 86.5 | Confident | 91.7 | Very high | 32 Ų | 32 | 38 Ų | 38 | 15% | 0.15 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.8 | -44 | 177.4 | -65.2 | -60.3 | 160.6 | 0 | 0 | 111.2 | V543 F598 P626 D627 R632 T633 | V543-E629 HydrophobicContact CG1-CG 4.22Å; F598-E629 HydrophobicContact CE2-CG 4.46Å; P626-E629 HydrophobicContact CB-CB 4.5Å; P626-E629 HydrophobicContact CB-CG 4.25Å; P626-E629 HydrophobicContact CG-CG 4.28Å; P626-E629 WeakPolarHBondContact O-CA 3.4Å; P626-E629 WeakPolarHBondContact O-CB 3.25Å; P626-E629 PolarHBondContact O-N 2.76Å; D627-E629 PolarHBondContact O-N 3.38Å; E629-R632 PolarHBondContact O-N 2.99Å; E629-R632 IonicContact OE1-CZ 3.91Å; E629-R632 IonicContact OE1-NH2 3.45Å; E629-R632 PolarHBondContact OE1-NH2 3.24Å; E629-R632 IonicContact OE2-CZ 3.46Å; E629-R632 IonicContact OE2-NE 2.72Å; E629-R632 IonicContact OE2-NH2 3.27Å; E629-R632 PolarHBondContact OE2-NH2 2.67Å; E629-T633 VanDerWaalsContact O-CB 3.32Å; E629-T633 WeakPolarHBondContact O-CB 3.35Å; E629-T633 PolarHBondContact O-N 3.24Å; E629-T633 PolarHBondContact O-OG1 3.18Å |
| 630 | L | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 179.5 | -179.3 | 61.3 | 0 | 0 | 0 | 111.5 | V602 F616 L619 K620 L625 P626 D627 R632 T633 L634 | V602-L630 HydrophobicContact CG2-CD1 3.78Å; F616-L630 HydrophobicContact CD2-CD2 4.21Å; F616-L630 HydrophobicContact CD2-CG 4.47Å; F616-L630 HydrophobicContact CE1-CD2 4.24Å; F616-L630 HydrophobicContact CE2-CB 4.36Å; F616-L630 HydrophobicContact CE2-CD2 3.77Å; F616-L630 HydrophobicContact CE2-CG 3.82Å; F616-L630 HydrophobicContact CZ-CB 4.33Å; F616-L630 HydrophobicContact CZ-CD2 3.78Å; F616-L630 HydrophobicContact CZ-CG 4.13Å; L619-L630 HydrophobicContact CB-CD2 4.4Å; K620-L630 VanDerWaalsContact CA-CD2 3.47Å; K620-L630 HydrophobicContact CB-CD2 3.54Å; K620-L630 HydrophobicContact CG-CD2 4.17Å; L625-L630 HydrophobicContact CB-CB 4.06Å; L625-L630 HydrophobicContact CD1-CD1 4.25Å; P626-L630 PolarHBondContact O-N 3.49Å; D627-L630 PolarHBondContact O-N 3.15Å; L630-R632 VanDerWaalsContact C-N 3.33Å; L630-R632 PolarHBondContact O-N 3.24Å; L630-T633 PolarHBondContact O-N 2.85Å; L630-L634 HydrophobicContact CD1-CD1 3.83Å; L630-L634 HydrophobicContact CD1-CG 3.99Å; L630-L634 HydrophobicContact CD2-CD1 4.42Å; L630-L634 HydrophobicContact CG-CD1 3.77Å; L630-L634 HydrophobicContact CG-CG 4.36Å; L630-L634 WeakPolarHBondContact O-CB 3.38Å; L630-L634 WeakPolarHBondContact O-CG 3.37Å; L630-L634 PolarHBondContact O-N 3.24Å |
| 631 | R | 92.3 | Very high | 90.7 | Very high | 35 Ų | 35 | 42 Ų | 42 | 13% | 0.132 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.5 | -46.7 | 177 | -73.6 | 171.8 | -169.3 | -72.8 | -13.1 | 112.2 | F616 D627 W635 P657 F660 | F616-R631 HydrophobicContact CE2-CB 4.5Å; F616-R631 HydrophobicContact CE2-CG 3.56Å; F616-R631 HydrophobicContact CZ-CG 3.61Å; D627-R631 VanDerWaalsContact CG-NE 3.26Å; D627-R631 VanDerWaalsContact O-CG 3.25Å; D627-R631 WeakPolarHBondContact O-CG 3.49Å; D627-R631 PolarHBondContact O-N 3.07Å; D627-R631 IonicContact OD1-CZ 2.66Å; D627-R631 IonicContact OD1-NE 3.42Å; D627-R631 PolarHBondContact OD1-NE 2.95Å; D627-R631 IonicContact OD1-NH2 3.33Å; D627-R631 PolarHBondContact OD1-NH2 3.3Å; D627-R631 WeakPolarHBondContact OD2-CD 3.44Å; D627-R631 IonicContact OD2-CZ 3.97Å; D627-R631 IonicContact OD2-NE 3.57Å; D627-R631 PolarHBondContact OD2-NE 2.5Å; D627-R631 IonicContact OD2-NH2 3.22Å; R631-W635 VanDerWaalsContact O-CB 3.3Å; R631-W635 WeakPolarHBondContact O-CB 3.29Å; R631-W635 PolarHBondContact O-N 2.94Å; R631-P657 HydrophobicContact CB-CB 4.19Å; R631-P657 WeakPolarHBondContact CD-O 3.45Å; R631-P657 WeakPolarHBondContact CG-O 3.41Å; R631-F660 HydrophobicContact CG-CD2 4.48Å; R631-F660 PolarHBondContact NH1-O 2.88Å |
| 632 | R | 87 | Confident | 90 | Very high | 60 Ų | 60 | 45.2 Ų | 45.2 | 23% | 0.226 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.3 | -41.2 | 178.1 | -71.6 | -172.1 | -61.6 | -141.6 | 7.2 | 112 | A628 E629 L630 W635 S636 | A628-R632 WeakPolarHBondContact O-CG 3.33Å; A628-R632 PolarHBondContact O-N 2.7Å; A628-R632 PolarHBondContact O-NE 3.03Å; E629-R632 PolarHBondContact O-N 2.99Å; E629-R632 IonicContact OE1-CZ 3.91Å; E629-R632 IonicContact OE1-NH2 3.45Å; E629-R632 PolarHBondContact OE1-NH2 3.24Å; E629-R632 IonicContact OE2-CZ 3.46Å; E629-R632 IonicContact OE2-NE 2.72Å; E629-R632 IonicContact OE2-NH2 3.27Å; E629-R632 PolarHBondContact OE2-NH2 2.67Å; L630-R632 VanDerWaalsContact C-N 3.33Å; L630-R632 PolarHBondContact O-N 3.24Å; R632-W635 PolarHBondContact O-N 3.48Å; R632-S636 PolarHBondContact O-N 2.89Å |
| 633 | T | 91.1 | Very high | 89.7 | Confident | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -49.1 | 178.2 | -59 | 0 | 0 | 0 | 0 | 110.4 | F598 Q599 V602 E629 L630 W635 S636 L637 | F598-T633 HydrophobicContact CB-CG2 4Å; Q599-T633 HydrophobicContact CB-CG2 4.4Å; Q599-T633 HydrophobicContact CG-CG2 3.92Å; V602-T633 HydrophobicContact CB-CG2 4.4Å; V602-T633 HydrophobicContact CG2-CG2 3.78Å; E629-T633 VanDerWaalsContact O-CB 3.32Å; E629-T633 WeakPolarHBondContact O-CB 3.35Å; E629-T633 PolarHBondContact O-N 3.24Å; E629-T633 PolarHBondContact O-OG1 3.18Å; L630-T633 PolarHBondContact O-N 2.85Å; T633-W635 PolarHBondContact O-N 3.23Å; T633-S636 WeakPolarHBondContact O-CB 3.09Å; T633-S636 PolarHBondContact O-N 2.67Å; T633-S636 PolarHBondContact O-OG 3.44Å; T633-L637 PolarHBondContact O-N 2.91Å |
| 634 | L | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.4 | -72.5 | 167.3 | 0 | 0 | 0 | 111.9 | V602 F616 L619 L630 S636 L637 V638 L648 F660 F666 | V602-L634 HydrophobicContact CG1-CD2 3.67Å; F616-L634 HydrophobicContact CD2-CD1 3.68Å; F616-L634 HydrophobicContact CE2-CD1 3.93Å; L619-L634 HydrophobicContact CD1-CD1 4.26Å; L619-L634 HydrophobicContact CD1-CD2 3.9Å; L630-L634 HydrophobicContact CD1-CD1 3.83Å; L630-L634 HydrophobicContact CD1-CG 3.99Å; L630-L634 HydrophobicContact CD2-CD1 4.42Å; L630-L634 HydrophobicContact CG-CD1 3.77Å; L630-L634 HydrophobicContact CG-CG 4.36Å; L630-L634 WeakPolarHBondContact O-CB 3.38Å; L630-L634 WeakPolarHBondContact O-CG 3.37Å; L630-L634 PolarHBondContact O-N 3.24Å; L634-S636 PolarHBondContact O-N 2.64Å; L634-L637 WeakPolarHBondContact O-CA 3.45Å; L634-L637 WeakPolarHBondContact O-CB 3.33Å; L634-L637 PolarHBondContact O-N 3.12Å; L634-V638 WeakPolarHBondContact O-CG2 3.41Å; L634-V638 PolarHBondContact O-N 3.33Å; L634-L648 HydrophobicContact CD2-CD1 4.19Å; L634-F660 HydrophobicContact CB-CE2 4.17Å; L634-F666 HydrophobicContact CB-CE1 4Å; L634-F666 HydrophobicContact CB-CZ 4.27Å; L634-F666 HydrophobicContact CD1-CD2 4.31Å; L634-F666 HydrophobicContact CD1-CE1 4.16Å; L634-F666 HydrophobicContact CD1-CE2 3.82Å; L634-F666 HydrophobicContact CD1-CZ 3.74Å; L634-F666 HydrophobicContact CD2-CD1 4.01Å; L634-F666 HydrophobicContact CD2-CE1 4.18Å; L634-F666 HydrophobicContact CD2-CG 4.22Å; L634-F666 HydrophobicContact CG-CE1 4.35Å; L634-F666 HydrophobicContact CG-CZ 4.41Å |
| 635 | W | 92.3 | Very high | 89.3 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 24% | 0.242 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.4 | -40.2 | 176 | -167.3 | -99.7 | 0 | 0 | 0 | 112.4 | R631 R632 T633 L637 V638 A639 V654 N655 P657 F660 | R631-W635 VanDerWaalsContact O-CB 3.3Å; R631-W635 WeakPolarHBondContact O-CB 3.29Å; R631-W635 PolarHBondContact O-N 2.94Å; R632-W635 PolarHBondContact O-N 3.48Å; T633-W635 PolarHBondContact O-N 3.23Å; W635-L637 PolarHBondContact O-N 2.73Å; W635-V638 HydrophobicContact CE3-CG2 4.26Å; W635-V638 PolarHBondContact O-N 2.7Å; W635-A639 HydrophobicContact CD2-CB 3.99Å; W635-A639 HydrophobicContact CG-CB 4.38Å; W635-A639 HydrophobicContact CH2-CB 4.34Å; W635-A639 HydrophobicContact CZ2-CB 3.8Å; W635-A639 WeakPolarHBondContact O-CA 3.45Å; W635-A639 WeakPolarHBondContact O-CB 3.35Å; W635-A639 PolarHBondContact O-N 2.7Å; W635-V654 HydrophobicContact CZ3-CG2 4.18Å; W635-N655 VanDerWaalsContact CH2-C 3.41Å; W635-N655 WeakPolarHBondContact CH2-O 3.45Å; W635-P657 HydrophobicContact CB-CB 3.88Å; W635-P657 HydrophobicContact CB-CG 4.48Å; W635-P657 HydrophobicContact CD2-CB 4.21Å; W635-P657 HydrophobicContact CD2-CG 4.36Å; W635-P657 HydrophobicContact CE3-CB 4.3Å; W635-P657 HydrophobicContact CG-CB 4.03Å; W635-P657 HydrophobicContact CG-CG 4.2Å; W635-F660 HydrophobicContact CB-CE2 4.46Å; W635-F660 HydrophobicContact CE3-CE1 4.26Å; W635-F660 AromaticContact CE3-CE2 3.92Å; W635-F660 HydrophobicContact CE3-CE2 3.92Å; W635-F660 AromaticContact CE3-CZ 3.51Å; W635-F660 HydrophobicContact CE3-CZ 3.51Å; W635-F660 HydrophobicContact CZ3-CE1 4.29Å; W635-F660 AromaticContact CZ3-CZ 3.97Å; W635-F660 HydrophobicContact CZ3-CZ 3.97Å |
| 636 | S | 89.1 | Confident | 89.4 | Confident | 32 Ų | 32 | 52 Ų | 52 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.3 | -21.1 | 176.8 | 80.1 | 0 | 0 | 0 | 0 | 114.1 | Q599 R632 T633 L634 | Q599-S636 PolarHBondContact NE2-OG 2.87Å; R632-S636 PolarHBondContact O-N 2.89Å; T633-S636 WeakPolarHBondContact O-CB 3.09Å; T633-S636 PolarHBondContact O-N 2.67Å; T633-S636 PolarHBondContact O-OG 3.44Å; L634-S636 PolarHBondContact O-N 2.64Å |
| 637 | L | 92.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -96.9 | -25 | 179.9 | -64.4 | 172.4 | 0 | 0 | 0 | 113.2 | Q599 V602 L603 T633 L634 W635 V647 L648 L688 | Q599-L637 HydrophobicContact CB-CD2 4.28Å; Q599-L637 HydrophobicContact CG-CD1 4.42Å; Q599-L637 HydrophobicContact CG-CD2 4.05Å; Q599-L637 HydrophobicContact CG-CG 4.22Å; V602-L637 HydrophobicContact CB-CD1 4.33Å; V602-L637 HydrophobicContact CG1-CD1 3.83Å; L603-L637 HydrophobicContact CD1-CD2 4.15Å; L603-L637 HydrophobicContact CD2-CD1 4.16Å; L603-L637 HydrophobicContact CD2-CD2 4.5Å; L603-L637 HydrophobicContact CG-CD1 4.11Å; L603-L637 HydrophobicContact CG-CD2 4.47Å; T633-L637 PolarHBondContact O-N 2.91Å; L634-L637 WeakPolarHBondContact O-CA 3.45Å; L634-L637 WeakPolarHBondContact O-CB 3.33Å; L634-L637 PolarHBondContact O-N 3.12Å; W635-L637 PolarHBondContact O-N 2.73Å; L637-V647 PolarHBondContact O-N 3.46Å; L637-L648 HydrophobicContact CB-CB 4.41Å; L637-L648 HydrophobicContact CB-CD1 3.8Å; L637-L648 HydrophobicContact CB-CG 4.04Å; L637-L648 HydrophobicContact CD1-CD1 3.79Å; L637-L648 HydrophobicContact CG-CD1 4.44Å; L637-L648 PolarHBondContact O-N 3.36Å; L637-L688 HydrophobicContact CD2-CD1 4.37Å |
| 638 | V | 93.4 | Very high | 89.8 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -101.2 | -17.2 | 178.8 | -57.2 | 0 | 0 | 0 | 0 | 114.5 | L634 W635 Q646 L648 Y650 F660 F666 | L634-V638 WeakPolarHBondContact O-CG2 3.41Å; L634-V638 PolarHBondContact O-N 3.33Å; W635-V638 HydrophobicContact CE3-CG2 4.26Å; W635-V638 PolarHBondContact O-N 2.7Å; V638-Q646 WeakPolarHBondContact O-CG 3.43Å; V638-L648 HydrophobicContact CG1-CB 3.65Å; V638-Y650 HydrophobicContact CB-CD1 3.59Å; V638-Y650 HydrophobicContact CB-CE1 3.89Å; V638-Y650 HydrophobicContact CG1-CD1 3.75Å; V638-Y650 HydrophobicContact CG1-CG 4.34Å; V638-Y650 HydrophobicContact CG2-CD1 3.84Å; V638-Y650 HydrophobicContact CG2-CE1 3.86Å; V638-F660 HydrophobicContact CG2-CZ 4.03Å; V638-F666 HydrophobicContact CG1-CD1 4.02Å; V638-F666 HydrophobicContact CG1-CE1 4.16Å |
| 639 | A | 88.9 | Confident | 90.3 | Very high | 31 Ų | 31 | 48 Ų | 48 | 26% | 0.256 | 23% | 0.232 | S | C | . | . | trans | -139.6 | 46.7 | -173 | 0 | 0 | 0 | 0 | 0 | 112.1 | W635 P641 | W635-A639 HydrophobicContact CD2-CB 3.99Å; W635-A639 HydrophobicContact CG-CB 4.38Å; W635-A639 HydrophobicContact CH2-CB 4.34Å; W635-A639 HydrophobicContact CZ2-CB 3.8Å; W635-A639 WeakPolarHBondContact O-CA 3.45Å; W635-A639 WeakPolarHBondContact O-CB 3.35Å; W635-A639 PolarHBondContact O-N 2.7Å; A639-P641 VanDerWaalsContact O-CD 3.31Å; A639-P641 WeakPolarHBondContact O-CD 3.42Å | ||
| 640 | F | 87.4 | Confident | 90.8 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | trans | -77.6 | 115.9 | 177.5 | -163.5 | -95.5 | 0 | 0 | 0 | 111.1 | K642 L643 Q646 N687 L688 | F640-K642 VanDerWaalsContact C-N 3.27Å; F640-K642 HydrophobicContact CD1-CB 4.06Å; F640-K642 HydrophobicContact CE1-CB 3.8Å; F640-K642 HydrophobicContact CE1-CD 4.36Å; F640-K642 HydrophobicContact CE1-CG 4.22Å; F640-K642 PolarHBondContact O-N 2.87Å; F640-K642 VanDerWaalsContact O-N 3.09Å; F640-L643 HydrophobicContact CB-CB 4.46Å; F640-L643 HydrophobicContact CB-CD1 4.14Å; F640-L643 HydrophobicContact CB-CG 4.49Å; F640-L643 HydrophobicContact CD1-CB 4.3Å; F640-L643 HydrophobicContact CD1-CD1 3.91Å; F640-L643 HydrophobicContact CD1-CG 3.75Å; F640-L643 HydrophobicContact CE1-CG 4.45Å; F640-L643 HydrophobicContact CG-CD1 4.25Å; F640-L643 HydrophobicContact CG-CG 4.49Å; F640-L643 PolarHBondContact O-N 3.22Å; F640-L643 VanDerWaalsContact O-N 3.1Å; F640-Q646 PolarHBondContact O-NE2 3.42Å; F640-N687 WeakPolarHBondContact CZ-O 3.32Å; F640-L688 HydrophobicContact CD1-CD2 4.44Å; F640-L688 HydrophobicContact CD2-CD2 4.26Å; F640-L688 HydrophobicContact CE2-CD2 4.38Å; F640-L688 HydrophobicContact CG-CD2 4.28Å | ||
| 641 | P | 82.2 | Confident | 90.9 | Very high | 127 Ų | 127 | 51.6 Ų | 51.6 | 83% | 0.825 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.8 | -167.8 | -27 | 35.4 | 0 | 0 | 0 | 115.6 | A639 L643 | A639-P641 VanDerWaalsContact O-CD 3.31Å; A639-P641 WeakPolarHBondContact O-CD 3.42Å; P641-L643 VanDerWaalsContact C-N 3.34Å |
| 642 | K | 80.3 | Confident | 91 | Very high | 189 Ų | 189 | 53.9 Ų | 53.9 | 82% | 0.822 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -2.7 | -177.4 | -56.7 | -177.5 | 177 | 179.8 | 0 | 113.6 | F640 | F640-K642 VanDerWaalsContact C-N 3.27Å; F640-K642 HydrophobicContact CD1-CB 4.06Å; F640-K642 HydrophobicContact CE1-CB 3.8Å; F640-K642 HydrophobicContact CE1-CD 4.36Å; F640-K642 HydrophobicContact CE1-CG 4.22Å; F640-K642 PolarHBondContact O-N 2.87Å; F640-K642 VanDerWaalsContact O-N 3.09Å |
| 643 | L | 86.2 | Confident | 91.3 | Very high | 21 Ų | 21 | 57.7 Ų | 57.7 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | trans | -109.3 | 128.3 | -177.7 | -71.5 | 176.3 | 0 | 0 | 0 | 110.6 | F640 P641 Q646 F672 L674 I686 L688 | F640-L643 HydrophobicContact CB-CB 4.46Å; F640-L643 HydrophobicContact CB-CD1 4.14Å; F640-L643 HydrophobicContact CB-CG 4.49Å; F640-L643 HydrophobicContact CD1-CB 4.3Å; F640-L643 HydrophobicContact CD1-CD1 3.91Å; F640-L643 HydrophobicContact CD1-CG 3.75Å; F640-L643 HydrophobicContact CE1-CG 4.45Å; F640-L643 HydrophobicContact CG-CD1 4.25Å; F640-L643 HydrophobicContact CG-CG 4.49Å; F640-L643 PolarHBondContact O-N 3.22Å; F640-L643 VanDerWaalsContact O-N 3.1Å; P641-L643 VanDerWaalsContact C-N 3.34Å; L643-Q646 PolarHBondContact O-NE2 3.01Å; L643-F672 HydrophobicContact CD1-CE2 4.2Å; L643-L674 HydrophobicContact CD2-CD2 3.92Å; L643-I686 HydrophobicContact CD1-CG2 4.4Å; L643-I686 HydrophobicContact CD2-CG2 4.33Å; L643-L688 HydrophobicContact CD1-CD2 3.65Å | ||
| 644 | K | 87.6 | Confident | 91.4 | Very high | 166 Ų | 166 | 58.4 Ų | 58.4 | 72% | 0.722 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -72.9 | -32.8 | 173.9 | -69.1 | -170.9 | 177.2 | -172.3 | 0 | 112.4 | I675 | K644-I675 HydrophobicContact CB-CD1 4.05Å; K644-I675 HydrophobicContact CD-CB 4.21Å; K644-I675 HydrophobicContact CD-CD1 4.06Å; K644-I675 HydrophobicContact CD-CG2 4.28Å |
| 645 | R | 92.1 | Very high | 91.1 | Very high | 89 Ų | 89 | 65.9 Ų | 65.9 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -120.4 | 129.3 | 175.2 | -64.8 | -174.8 | -179.5 | -160.6 | -2.3 | 107.8 | E671 F672 I675 | R645-E671 WeakPolarHBondContact CD-O 3.25Å; R645-E671 PolarHBondContact NH1-O 3.18Å; R645-F672 HydrophobicContact CB-CD2 4.3Å; R645-F672 VanDerWaalsContact O-CD2 3.28Å; R645-F672 WeakPolarHBondContact O-CD2 3.35Å; R645-F672 WeakPolarHBondContact O-CE2 3.29Å; R645-I675 HydrophobicContact CG-CD1 4.4Å |
| 646 | Q | 93.7 | Very high | 90.9 | Very high | 37 Ų | 37 | 64.4 Ų | 64.4 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | trans | -87.3 | 155.2 | -173.1 | -58.4 | -65.8 | -21.9 | 0 | 0 | 110.5 | V638 F640 L643 L648 N669 F672 | V638-Q646 WeakPolarHBondContact O-CG 3.43Å; F640-Q646 PolarHBondContact O-NE2 3.42Å; L643-Q646 PolarHBondContact O-NE2 3.01Å; Q646-L648 WeakPolarHBondContact CB-O 3.49Å; Q646-N669 WeakPolarHBondContact O-CB 3.45Å; Q646-N669 PolarHBondContact O-ND2 3.03Å; Q646-F672 WeakPolarHBondContact O-CD2 3.49Å | ||
| 647 | V | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -71.2 | -41.4 | -176.6 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | F584 L593 L603 L637 N669 F672 L688 | F584-V647 HydrophobicContact CD2-CG1 4.33Å; F584-V647 HydrophobicContact CE2-CG1 3.85Å; F584-V647 HydrophobicContact CZ-CG1 4.09Å; L593-V647 HydrophobicContact CD1-CG1 4.19Å; L593-V647 HydrophobicContact CD1-CG2 4.49Å; L603-V647 HydrophobicContact CD2-CG1 4Å; L637-V647 PolarHBondContact O-N 3.46Å; V647-N669 VanDerWaalsContact O-CB 3.29Å; V647-N669 WeakPolarHBondContact O-CB 3.12Å; V647-N669 PolarHBondContact O-N 3.15Å; V647-F672 HydrophobicContact CG2-CD2 4.39Å; V647-F672 HydrophobicContact CG2-CE2 3.94Å; V647-F672 HydrophobicContact CG2-CZ 4.14Å; V647-L688 HydrophobicContact CG2-CD1 3.79Å; V647-L688 HydrophobicContact CG2-CD2 4.45Å |
| 648 | L | 95.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 150.3 | 174.2 | -62.9 | -177.8 | 0 | 0 | 0 | 110.5 | V602 L603 W606 L634 L637 V638 Q646 S667 V668 | V602-L648 HydrophobicContact CG1-CD1 4.42Å; L603-L648 HydrophobicContact CD2-CD1 4.43Å; L603-L648 HydrophobicContact CD2-CD2 4.07Å; L603-L648 HydrophobicContact CD2-CG 4.28Å; W606-L648 HydrophobicContact CE3-CD2 4.46Å; W606-L648 HydrophobicContact CH2-CD1 3.97Å; W606-L648 HydrophobicContact CH2-CD2 4.21Å; W606-L648 HydrophobicContact CZ3-CD1 4.06Å; W606-L648 HydrophobicContact CZ3-CD2 4.17Å; L634-L648 HydrophobicContact CD2-CD1 4.19Å; L637-L648 HydrophobicContact CB-CB 4.41Å; L637-L648 HydrophobicContact CB-CD1 3.8Å; L637-L648 HydrophobicContact CB-CG 4.04Å; L637-L648 HydrophobicContact CD1-CD1 3.79Å; L637-L648 HydrophobicContact CG-CD1 4.44Å; L637-L648 PolarHBondContact O-N 3.36Å; V638-L648 HydrophobicContact CG1-CB 3.65Å; Q646-L648 WeakPolarHBondContact CB-O 3.49Å; L648-S667 CarbonylContact C-O 3.58Å; L648-S667 VanDerWaalsContact CA-O 3.32Å; L648-S667 WeakPolarHBondContact CA-O 3.25Å; L648-V668 HydrophobicContact CD2-CG2 4.08Å |
| 649 | L | 96.2 | Very high | 90.6 | Very high | 78 Ų | 78 | 75.9 Ų | 75.9 | 41% | 0.408 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 160.3 | 166.6 | -57.2 | 177.3 | 0 | 0 | 0 | 108.8 | F666 S667 N669 | L649-F666 WeakPolarHBondContact O-CA 3Å; L649-S667 PolarHBondContact N-O 3.2Å; L649-S667 PolarHBondContact O-N 2.77Å; L649-N669 HydrophobicContact CD1-CB 4.27Å; L649-N669 HydrophobicContact CD2-CB 4.15Å; L649-N669 HydrophobicContact CG-CB 3.82Å |
| 650 | Y | 96.4 | Very high | 90.8 | Very high | 27 Ų | 27 | 74.7 Ų | 74.7 | 11% | 0.106 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 156.3 | 178.7 | 70.9 | -76.2 | 0 | 0 | 0 | 112.6 | V638 P652 Q653 V654 F660 T664 L665 F666 | V638-Y650 HydrophobicContact CB-CD1 3.59Å; V638-Y650 HydrophobicContact CB-CE1 3.89Å; V638-Y650 HydrophobicContact CG1-CD1 3.75Å; V638-Y650 HydrophobicContact CG1-CG 4.34Å; V638-Y650 HydrophobicContact CG2-CD1 3.84Å; V638-Y650 HydrophobicContact CG2-CE1 3.86Å; Y650-P652 WeakPolarHBondContact CD2-O 3.48Å; Y650-P652 WeakPolarHBondContact CE2-O 3.35Å; Y650-Q653 PolarHBondContact O-NE2 2.98Å; Y650-Q653 PolarHBondContact OH-OE1 3.44Å; Y650-Q653 VanDerWaalsContact OH-OE1 3.07Å; Y650-V654 HydrophobicContact CE2-CG2 3.92Å; Y650-V654 PolarHBondContact OH-N 3.4Å; Y650-V654 PolarHBondContact OH-O 3Å; Y650-F660 HydrophobicContact CD2-CD1 4.48Å; Y650-F660 AromaticContact CD2-CE1 3.69Å; Y650-F660 HydrophobicContact CD2-CE1 3.69Å; Y650-F660 AromaticContact CE2-CE1 3.78Å; Y650-F660 HydrophobicContact CE2-CE1 3.78Å; Y650-F660 HydrophobicContact CG-CE1 4.34Å; Y650-T664 HydrophobicContact CD2-CG2 4.35Å; Y650-L665 CarbonylContact C-O 3.59Å; Y650-L665 WeakPolarHBondContact CA-O 3.44Å; Y650-F666 HydrophobicContact CG-CE1 4.35Å |
| 651 | E | 94.9 | Very high | 91.2 | Very high | 82 Ų | 82 | 77.2 Ų | 77.2 | 38% | 0.383 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 140.7 | 176.4 | 61.8 | -172.1 | -168.6 | 0 | 0 | 110.9 | K613 L665 | K613-E651 VanDerWaalsContact CD-OE1 3.28Å; K613-E651 WeakPolarHBondContact CD-OE1 3.23Å; K613-E651 WeakPolarHBondContact CE-OE1 3.32Å; K613-E651 IonicContact NZ-OE1 3.64Å; K613-E651 PolarHBondContact NZ-OE1 2.91Å; K613-E651 IonicContact NZ-OE2 2.66Å; K613-E651 PolarHBondContact NZ-OE2 3.49Å; E651-L665 HydrophobicContact CG-CB 3.9Å; E651-L665 HydrophobicContact CG-CD1 4.46Å; E651-L665 PolarHBondContact N-O 2.74Å; E651-L665 PolarHBondContact O-N 2.93Å |
| 652 | P | 94.7 | Very high | 91.8 | Very high | 83 Ų | 83 | 74.5 Ų | 74.5 | 54% | 0.539 | 37% | 0.366 | S | S | . | . | S | Bend | cis | -70 | 160.2 | -7.1 | 31.3 | -35.8 | 0 | 0 | 0 | 112.9 | Y650 | Y650-P652 WeakPolarHBondContact CD2-O 3.48Å; Y650-P652 WeakPolarHBondContact CE2-O 3.35Å |
| 653 | Q | 93.3 | Very high | 92.5 | Very high | 139 Ų | 139 | 68 Ų | 68 | 65% | 0.65 | 35% | 0.353 | S | S | * | . | trans | -69.5 | 137.4 | 177.3 | -69.6 | -66.7 | -57.8 | 0 | 0 | 111.1 | Y650 | Y650-Q653 PolarHBondContact O-NE2 2.98Å; Y650-Q653 PolarHBondContact OH-OE1 3.44Å; Y650-Q653 VanDerWaalsContact OH-OE1 3.07Å | ||
| 654 | V | 92.8 | Very high | 93 | Very high | 25 Ų | 25 | 67 Ų | 67 | 15% | 0.152 | 35% | 0.348 | C | S | . | . | trans | -140.8 | 159.6 | -179.1 | -57.8 | 0 | 0 | 0 | 0 | 110.6 | W635 Y650 S656 D659 F660 | W635-V654 HydrophobicContact CZ3-CG2 4.18Å; Y650-V654 HydrophobicContact CE2-CG2 3.92Å; Y650-V654 PolarHBondContact OH-N 3.4Å; Y650-V654 PolarHBondContact OH-O 3Å; V654-S656 WeakPolarHBondContact CG2-O 3.5Å; V654-D659 HydrophobicContact CB-CB 3.69Å; V654-D659 HydrophobicContact CG1-CB 3.98Å; V654-D659 HydrophobicContact CG2-CB 4.01Å; V654-F660 HydrophobicContact CG2-CD1 3.48Å; V654-F660 VanDerWaalsContact CG2-CD1 3.48Å; V654-F660 HydrophobicContact CG2-CE1 3.47Å; V654-F660 VanDerWaalsContact CG2-CE1 3.47Å; V654-F660 HydrophobicContact CG2-CZ 4.48Å | ||
| 655 | N | 88.9 | Confident | 93.5 | Very high | 157 Ų | 157 | 61.9 Ų | 61.9 | 84% | 0.84 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -95.7 | -12.2 | -173.2 | -65.5 | -38 | 0 | 0 | 0 | 113.7 | W635 | W635-N655 VanDerWaalsContact CH2-C 3.41Å; W635-N655 WeakPolarHBondContact CH2-O 3.45Å |
| 656 | S | 88 | Confident | 93.7 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -144.2 | 155.7 | -179.7 | 90 | 0 | 0 | 0 | 0 | 112.8 | V654 K658 D659 | V654-S656 WeakPolarHBondContact CG2-O 3.5Å; S656-K658 PolarHBondContact O-N 3.08Å; S656-K658 VanDerWaalsContact O-N 3.15Å; S656-K658 PolarHBondContact OG-N 3.23Å; S656-D659 VanDerWaalsContact CB-OD2 3.26Å; S656-D659 WeakPolarHBondContact CB-OD2 3.35Å; S656-D659 PolarHBondContact N-OD2 3.12Å; S656-D659 VanDerWaalsContact N-OD2 3.13Å; S656-D659 PolarHBondContact O-N 3.36Å; S656-D659 VanDerWaalsContact O-N 3.12Å; S656-D659 PolarHBondContact OG-OD1 3.41Å; S656-D659 PolarHBondContact OG-OD2 3.25Å |
| 657 | P | 87 | Confident | 93.9 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 21% | 0.214 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -59.6 | -24.5 | 174.6 | 21.2 | -32.3 | 0 | 0 | 0 | 113.8 | R631 W635 D659 F660 | R631-P657 HydrophobicContact CB-CB 4.19Å; R631-P657 WeakPolarHBondContact CD-O 3.45Å; R631-P657 WeakPolarHBondContact CG-O 3.41Å; W635-P657 HydrophobicContact CB-CB 3.88Å; W635-P657 HydrophobicContact CB-CG 4.48Å; W635-P657 HydrophobicContact CD2-CB 4.21Å; W635-P657 HydrophobicContact CD2-CG 4.36Å; W635-P657 HydrophobicContact CE3-CB 4.3Å; W635-P657 HydrophobicContact CG-CB 4.03Å; W635-P657 HydrophobicContact CG-CG 4.2Å; P657-D659 VanDerWaalsContact C-N 3.26Å; P657-D659 PolarHBondContact O-N 3.49Å; P657-F660 WeakPolarHBondContact O-CD2 3.42Å |
| 658 | K | 89 | Confident | 94 | Very high | 169 Ų | 169 | 57.8 Ų | 57.8 | 74% | 0.735 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -73.3 | -23.4 | -178.9 | -61.5 | -177.5 | -177.7 | 178.2 | 0 | 111.8 | S656 F660 | S656-K658 PolarHBondContact O-N 3.08Å; S656-K658 VanDerWaalsContact O-N 3.15Å; S656-K658 PolarHBondContact OG-N 3.23Å; K658-F660 VanDerWaalsContact C-N 3.34Å |
| 659 | D | 92.9 | Very high | 94 | Very high | 81 Ų | 81 | 58.4 Ų | 58.4 | 43% | 0.433 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -86.2 | -5.6 | -174.7 | -55.3 | -39.4 | 0 | 0 | 0 | 113 | V654 S656 P657 T661 | V654-D659 HydrophobicContact CB-CB 3.69Å; V654-D659 HydrophobicContact CG1-CB 3.98Å; V654-D659 HydrophobicContact CG2-CB 4.01Å; S656-D659 VanDerWaalsContact CB-OD2 3.26Å; S656-D659 WeakPolarHBondContact CB-OD2 3.35Å; S656-D659 PolarHBondContact N-OD2 3.12Å; S656-D659 VanDerWaalsContact N-OD2 3.13Å; S656-D659 PolarHBondContact O-N 3.36Å; S656-D659 VanDerWaalsContact O-N 3.12Å; S656-D659 PolarHBondContact OG-OD1 3.41Å; S656-D659 PolarHBondContact OG-OD2 3.25Å; P657-D659 VanDerWaalsContact C-N 3.26Å; P657-D659 PolarHBondContact O-N 3.49Å; D659-T661 PolarHBondContact O-N 3.28Å |
| 660 | F | 93.4 | Very high | 94 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | trans | -59.3 | 141.1 | 170.4 | -64.5 | -37.7 | 0 | 0 | 0 | 110.2 | F616 R631 L634 W635 V638 Y650 V654 P657 K658 T664 F666 | F616-F660 HydrophobicContact CD2-CB 4.37Å; R631-F660 HydrophobicContact CG-CD2 4.48Å; R631-F660 PolarHBondContact NH1-O 2.88Å; L634-F660 HydrophobicContact CB-CE2 4.17Å; W635-F660 HydrophobicContact CB-CE2 4.46Å; W635-F660 HydrophobicContact CE3-CE1 4.26Å; W635-F660 AromaticContact CE3-CE2 3.92Å; W635-F660 HydrophobicContact CE3-CE2 3.92Å; W635-F660 AromaticContact CE3-CZ 3.51Å; W635-F660 HydrophobicContact CE3-CZ 3.51Å; W635-F660 HydrophobicContact CZ3-CE1 4.29Å; W635-F660 AromaticContact CZ3-CZ 3.97Å; W635-F660 HydrophobicContact CZ3-CZ 3.97Å; V638-F660 HydrophobicContact CG2-CZ 4.03Å; Y650-F660 HydrophobicContact CD2-CD1 4.48Å; Y650-F660 AromaticContact CD2-CE1 3.69Å; Y650-F660 HydrophobicContact CD2-CE1 3.69Å; Y650-F660 AromaticContact CE2-CE1 3.78Å; Y650-F660 HydrophobicContact CE2-CE1 3.78Å; Y650-F660 HydrophobicContact CG-CE1 4.34Å; V654-F660 HydrophobicContact CG2-CD1 3.48Å; V654-F660 VanDerWaalsContact CG2-CD1 3.48Å; V654-F660 HydrophobicContact CG2-CE1 3.47Å; V654-F660 VanDerWaalsContact CG2-CE1 3.47Å; V654-F660 HydrophobicContact CG2-CZ 4.48Å; P657-F660 WeakPolarHBondContact O-CD2 3.42Å; K658-F660 VanDerWaalsContact C-N 3.34Å; F660-T664 HydrophobicContact CD1-CG2 3.85Å; F660-T664 HydrophobicContact CE1-CG2 4.38Å; F660-F666 HydrophobicContact CD1-CZ 4.02Å; F660-F666 HydrophobicContact CD2-CZ 4.08Å; F660-F666 HydrophobicContact CE1-CE1 4.1Å; F660-F666 AromaticContact CE1-CZ 3.96Å; F660-F666 HydrophobicContact CE1-CZ 3.96Å; F660-F666 HydrophobicContact CE2-CE1 4.22Å; F660-F666 HydrophobicContact CE2-CZ 4.03Å; F660-F666 HydrophobicContact CG-CZ 4.07Å; F660-F666 AromaticContact CZ-CE1 3.88Å; F660-F666 HydrophobicContact CZ-CE1 3.88Å; F660-F666 AromaticContact CZ-CZ 3.95Å; F660-F666 HydrophobicContact CZ-CZ 3.95Å | ||
| 661 | T | 94.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 61.2 Ų | 61.2 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | trans | -110.6 | 163.3 | 175.3 | 65 | 0 | 0 | 0 | 0 | 108.8 | F616 D659 G663 T664 | F616-T661 VanDerWaalsContact CB-O 3.25Å; F616-T661 WeakPolarHBondContact CB-O 3.44Å; D659-T661 PolarHBondContact O-N 3.28Å; T661-G663 PolarHBondContact O-N 2.73Å; T661-G663 VanDerWaalsContact O-N 3.12Å; T661-T664 PolarHBondContact N-OG1 2.99Å; T661-T664 WeakPolarHBondContact O-CB 3.13Å; T661-T664 PolarHBondContact O-N 3.21Å; T661-T664 PolarHBondContact O-OG1 3.47Å; T661-T664 PolarHBondContact OG1-N 2.75Å; T661-T664 PolarHBondContact OG1-OG1 3.14Å | ||
| 662 | E | 95 | Very high | 93.8 | Very high | 70 Ų | 70 | 57.3 Ų | 57.3 | 33% | 0.327 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.8 | 175.7 | -64.8 | -65.1 | 161.8 | 0 | 0 | 111.8 | F616 E617 K620 | F616-E662 WeakPolarHBondContact CD1-OE2 3.46Å; F616-E662 PolarHBondContact N-O 3.24Å; E617-E662 WeakPolarHBondContact CA-OE2 3.48Å; E617-E662 HydrophobicContact CB-CB 4.27Å; E617-E662 WeakPolarHBondContact CB-OE2 3.14Å; E617-E662 PolarHBondContact N-O 2.76Å; K620-E662 IonicContact NZ-OE1 3.79Å |
| 663 | G | 95.4 | Very high | 93.8 | Very high | 52 Ų | 52 | 53.5 Ų | 53.5 | 54% | 0.536 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -0.8 | 176 | 0 | 0 | 0 | 0 | 0 | 116 | T661 L665 | T661-G663 PolarHBondContact O-N 2.73Å; T661-G663 VanDerWaalsContact O-N 3.12Å; G663-L665 PolarHBondContact O-N 2.79Å |
| 664 | T | 96.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | trans | -63.7 | 124 | 175.7 | -63.6 | 0 | 0 | 0 | 0 | 109.2 | S615 F616 Y650 F660 T661 F666 | S615-T664 CarbonylContact C-O 3.52Å; S615-T664 WeakPolarHBondContact CA-O 3.43Å; F616-T664 PolarHBondContact N-O 3.37Å; Y650-T664 HydrophobicContact CD2-CG2 4.35Å; F660-T664 HydrophobicContact CD1-CG2 3.85Å; F660-T664 HydrophobicContact CE1-CG2 4.38Å; T661-T664 PolarHBondContact N-OG1 2.99Å; T661-T664 WeakPolarHBondContact O-CB 3.13Å; T661-T664 PolarHBondContact O-N 3.21Å; T661-T664 PolarHBondContact O-OG1 3.47Å; T661-T664 PolarHBondContact OG1-N 2.75Å; T661-T664 PolarHBondContact OG1-OG1 3.14Å; T664-F666 HydrophobicContact CG2-CD2 4.44Å; T664-F666 HydrophobicContact CG2-CE1 4.44Å; T664-F666 HydrophobicContact CG2-CE2 3.68Å; T664-F666 HydrophobicContact CG2-CZ 3.67Å; T664-F666 WeakPolarHBondContact O-CD2 3.48Å; T664-F666 WeakPolarHBondContact O-CE2 3.41Å | ||
| 665 | L | 97.5 | Very high | 93.5 | Very high | 58 Ų | 58 | 49.1 Ų | 49.1 | 30% | 0.304 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 136.1 | -177 | -64.9 | 176.1 | 0 | 0 | 0 | 110.2 | K613 Y650 E651 G663 | K613-L665 HydrophobicContact CB-CB 4.28Å; K613-L665 HydrophobicContact CB-CD1 4.46Å; K613-L665 HydrophobicContact CD-CD1 4.34Å; Y650-L665 CarbonylContact C-O 3.59Å; Y650-L665 WeakPolarHBondContact CA-O 3.44Å; E651-L665 HydrophobicContact CG-CB 3.9Å; E651-L665 HydrophobicContact CG-CD1 4.46Å; E651-L665 PolarHBondContact N-O 2.74Å; E651-L665 PolarHBondContact O-N 2.93Å; G663-L665 PolarHBondContact O-N 2.79Å |
| 666 | F | 97.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 146.3 | 176.9 | -62.2 | -93 | 0 | 0 | 0 | 110.3 | W606 K613 I614 F616 L619 L634 V638 L649 Y650 F660 T664 | W606-F666 HydrophobicContact CH2-CB 3.98Å; W606-F666 HydrophobicContact CZ2-CB 3.85Å; W606-F666 WeakPolarHBondContact CZ2-O 3.44Å; K613-F666 CarbonylContact C-O 3.57Å; K613-F666 VanDerWaalsContact CA-O 3.3Å; K613-F666 WeakPolarHBondContact CA-O 3.44Å; I614-F666 PolarHBondContact N-O 3.29Å; I614-F666 PolarHBondContact O-N 3.17Å; F616-F666 HydrophobicContact CB-CE2 4.07Å; F616-F666 HydrophobicContact CD2-CE2 4.23Å; L619-F666 HydrophobicContact CD1-CB 4.05Å; L619-F666 HydrophobicContact CD1-CD2 3.76Å; L619-F666 HydrophobicContact CD1-CG 4.07Å; L634-F666 HydrophobicContact CB-CE1 4Å; L634-F666 HydrophobicContact CB-CZ 4.27Å; L634-F666 HydrophobicContact CD1-CD2 4.31Å; L634-F666 HydrophobicContact CD1-CE1 4.16Å; L634-F666 HydrophobicContact CD1-CE2 3.82Å; L634-F666 HydrophobicContact CD1-CZ 3.74Å; L634-F666 HydrophobicContact CD2-CD1 4.01Å; L634-F666 HydrophobicContact CD2-CE1 4.18Å; L634-F666 HydrophobicContact CD2-CG 4.22Å; L634-F666 HydrophobicContact CG-CE1 4.35Å; L634-F666 HydrophobicContact CG-CZ 4.41Å; V638-F666 HydrophobicContact CG1-CD1 4.02Å; V638-F666 HydrophobicContact CG1-CE1 4.16Å; L649-F666 WeakPolarHBondContact O-CA 3Å; Y650-F666 HydrophobicContact CG-CE1 4.35Å; F660-F666 HydrophobicContact CD1-CZ 4.02Å; F660-F666 HydrophobicContact CD2-CZ 4.08Å; F660-F666 HydrophobicContact CE1-CE1 4.1Å; F660-F666 AromaticContact CE1-CZ 3.96Å; F660-F666 HydrophobicContact CE1-CZ 3.96Å; F660-F666 HydrophobicContact CE2-CE1 4.22Å; F660-F666 HydrophobicContact CE2-CZ 4.03Å; F660-F666 HydrophobicContact CG-CZ 4.07Å; F660-F666 AromaticContact CZ-CE1 3.88Å; F660-F666 HydrophobicContact CZ-CE1 3.88Å; F660-F666 AromaticContact CZ-CZ 3.95Å; F660-F666 HydrophobicContact CZ-CZ 3.95Å; T664-F666 HydrophobicContact CG2-CD2 4.44Å; T664-F666 HydrophobicContact CG2-CE1 4.44Å; T664-F666 HydrophobicContact CG2-CE2 3.68Å; T664-F666 HydrophobicContact CG2-CZ 3.67Å; T664-F666 WeakPolarHBondContact O-CD2 3.48Å; T664-F666 WeakPolarHBondContact O-CE2 3.41Å |
| 667 | S | 97.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 15% | 0.154 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 155.8 | 175 | 58 | 0 | 0 | 0 | 0 | 112.5 | L648 L649 N669 | L648-S667 CarbonylContact C-O 3.58Å; L648-S667 VanDerWaalsContact CA-O 3.32Å; L648-S667 WeakPolarHBondContact CA-O 3.25Å; L649-S667 PolarHBondContact N-O 3.2Å; L649-S667 PolarHBondContact O-N 2.77Å; S667-N669 PolarHBondContact O-N 3.45Å |
| 668 | V | 97.1 | Very high | 93 | Very high | 19 Ų | 19 | 57 Ų | 57 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 128.8 | 174.1 | 176.6 | 0 | 0 | 0 | 0 | 110 | F584 W606 L648 Q670 | F584-V668 HydrophobicContact CE2-CG1 3.67Å; F584-V668 HydrophobicContact CZ-CG1 3.53Å; W606-V668 HydrophobicContact CB-CG2 3.7Å; W606-V668 HydrophobicContact CD2-CG2 3.81Å; W606-V668 HydrophobicContact CE3-CG2 4.43Å; W606-V668 HydrophobicContact CG-CG2 3.46Å; W606-V668 VanDerWaalsContact CG-CG2 3.46Å; L648-V668 HydrophobicContact CD2-CG2 4.08Å; V668-Q670 PolarHBondContact O-N 3.35Å |
| 669 | N | 96 | Very high | 93 | Very high | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | trans | -73.6 | 97.9 | 176.1 | -174 | -0.5 | 0 | 0 | 0 | 110.8 | N586 Q646 V647 L649 S667 E671 F672 | N586-N669 PolarHBondContact ND2-O 3.26Å; Q646-N669 WeakPolarHBondContact O-CB 3.45Å; Q646-N669 PolarHBondContact O-ND2 3.03Å; V647-N669 VanDerWaalsContact O-CB 3.29Å; V647-N669 WeakPolarHBondContact O-CB 3.12Å; V647-N669 PolarHBondContact O-N 3.15Å; L649-N669 HydrophobicContact CD1-CB 4.27Å; L649-N669 HydrophobicContact CD2-CB 4.15Å; L649-N669 HydrophobicContact CG-CB 3.82Å; S667-N669 PolarHBondContact O-N 3.45Å; N669-E671 PolarHBondContact O-N 2.77Å; N669-E671 PolarHBondContact OD1-N 3.27Å; N669-E671 VanDerWaalsContact OD1-N 3.08Å; N669-F672 HydrophobicContact CB-CB 3.98Å; N669-F672 WeakPolarHBondContact O-CB 3.49Å; N669-F672 PolarHBondContact O-N 2.94Å; N669-F672 PolarHBondContact OD1-N 2.83Å | ||
| 670 | Q | 95.2 | Very high | 92.9 | Very high | 38 Ų | 38 | 55.7 Ų | 55.7 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.5 | 179.6 | -63.2 | -57.2 | -26.7 | 0 | 0 | 113.3 | N586 E587 P610 V668 | N586-Q670 PolarHBondContact ND2-O 2.91Å; E587-Q670 HydrophobicContact CG-CB 4.1Å; E587-Q670 PolarHBondContact N-O 3.14Å; P610-Q670 PolarHBondContact O-NE2 2.94Å; V668-Q670 PolarHBondContact O-N 3.35Å |
| 671 | E | 93.8 | Very high | 92.9 | Very high | 127 Ų | 127 | 58.7 Ų | 58.7 | 59% | 0.593 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 5.1 | 175.5 | -58.5 | -170.2 | 172.4 | 0 | 0 | 113.7 | R645 N669 S673 | R645-E671 WeakPolarHBondContact CD-O 3.25Å; R645-E671 PolarHBondContact NH1-O 3.18Å; N669-E671 PolarHBondContact O-N 2.77Å; N669-E671 PolarHBondContact OD1-N 3.27Å; N669-E671 VanDerWaalsContact OD1-N 3.08Å; E671-S673 PolarHBondContact O-N 2.99Å |
| 672 | F | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -55.2 | 131.5 | 179.4 | 170.9 | -98.6 | 0 | 0 | 0 | 111.2 | F584 N586 Y591 L643 R645 Q646 V647 N669 I686 | F584-F672 HydrophobicContact CD1-CD1 4.04Å; F584-F672 HydrophobicContact CD1-CE1 4.39Å; F584-F672 HydrophobicContact CE1-CB 4.23Å; F584-F672 AromaticContact CE1-CD1 3.65Å; F584-F672 HydrophobicContact CE1-CD1 3.65Å; F584-F672 HydrophobicContact CE1-CE1 4.38Å; F584-F672 HydrophobicContact CE1-CG 4.21Å; N586-F672 WeakPolarHBondContact ND2-CB 3.42Å; N586-F672 PolarHBondContact ND2-N 3.31Å; N586-F672 PolarHBondContact ND2-O 3.06Å; Y591-F672 HydrophobicContact CD1-CE1 4.3Å; Y591-F672 AromaticContact CD2-CD1 3.85Å; Y591-F672 HydrophobicContact CD2-CD1 3.85Å; Y591-F672 AromaticContact CD2-CE1 3.78Å; Y591-F672 HydrophobicContact CD2-CE1 3.78Å; Y591-F672 AromaticContact CE2-CD1 3.8Å; Y591-F672 HydrophobicContact CE2-CD1 3.8Å; Y591-F672 HydrophobicContact CE2-CE1 4.06Å; Y591-F672 HydrophobicContact CG-CD1 4.43Å; Y591-F672 AromaticContact CG-CE1 3.9Å; Y591-F672 HydrophobicContact CG-CE1 3.9Å; Y591-F672 PolarHBondContact OH-O 3.28Å; L643-F672 HydrophobicContact CD1-CE2 4.2Å; R645-F672 HydrophobicContact CB-CD2 4.3Å; R645-F672 VanDerWaalsContact O-CD2 3.28Å; R645-F672 WeakPolarHBondContact O-CD2 3.35Å; R645-F672 WeakPolarHBondContact O-CE2 3.29Å; Q646-F672 WeakPolarHBondContact O-CD2 3.49Å; V647-F672 HydrophobicContact CG2-CD2 4.39Å; V647-F672 HydrophobicContact CG2-CE2 3.94Å; V647-F672 HydrophobicContact CG2-CZ 4.14Å; N669-F672 HydrophobicContact CB-CB 3.98Å; N669-F672 WeakPolarHBondContact O-CB 3.49Å; N669-F672 PolarHBondContact O-N 2.94Å; N669-F672 PolarHBondContact OD1-N 2.83Å; F672-I686 HydrophobicContact CE1-CD1 3.87Å; F672-I686 HydrophobicContact CZ-CD1 3.4Å | ||
| 673 | S | 93.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | trans | -157.7 | 152.2 | 172.8 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | Y591 E671 | Y591-S673 VanDerWaalsContact OH-CA 3.25Å; Y591-S673 WeakPolarHBondContact OH-CA 3.5Å; Y591-S673 VanDerWaalsContact OH-CB 3.24Å; Y591-S673 WeakPolarHBondContact OH-CB 3.49Å; E671-S673 PolarHBondContact O-N 2.99Å | ||
| 674 | L | 90.5 | Very high | 92.5 | Very high | 20 Ų | 20 | 66.7 Ų | 66.7 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 125.7 | 171.9 | -76.8 | 176.6 | 0 | 0 | 0 | 109.9 | Y591 L643 Q681 I686 | Y591-L674 HydrophobicContact CD1-CD1 3.97Å; Y591-L674 HydrophobicContact CD1-CG 4.07Å; Y591-L674 HydrophobicContact CE1-CB 4.25Å; Y591-L674 HydrophobicContact CE1-CD1 4.34Å; Y591-L674 HydrophobicContact CE1-CG 4.13Å; L643-L674 HydrophobicContact CD2-CD2 3.92Å; L674-Q681 HydrophobicContact CB-CB 3.99Å; L674-Q681 HydrophobicContact CB-CG 4.35Å; L674-Q681 WeakPolarHBondContact O-CB 3.34Å; L674-Q681 PolarHBondContact O-N 2.87Å; L674-I686 HydrophobicContact CD1-CD1 3.82Å; L674-I686 HydrophobicContact CD1-CG1 3.72Å; L674-I686 HydrophobicContact CD2-CD1 3.37Å; L674-I686 HydrophobicContact CD2-CG1 3.77Å; L674-I686 HydrophobicContact CG-CD1 3.58Å; L674-I686 HydrophobicContact CG-CG1 4.03Å |
| 675 | I | 89.6 | Confident | 92.3 | Very high | 51 Ų | 51 | 72.7 Ų | 72.7 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 108.2 | 177.1 | -55.6 | 178 | 0 | 0 | 0 | 108.1 | K644 R645 | K644-I675 HydrophobicContact CB-CD1 4.05Å; K644-I675 HydrophobicContact CD-CB 4.21Å; K644-I675 HydrophobicContact CD-CD1 4.06Å; K644-I675 HydrophobicContact CD-CG2 4.28Å; R645-I675 HydrophobicContact CG-CD1 4.4Å |
| 676 | K | 84.6 | Confident | 91.9 | Very high | 133 Ų | 133 | 70.5 Ų | 70.5 | 58% | 0.578 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.3 | 173.1 | -70.9 | -174.3 | 178.2 | 179.6 | 0 | 108.8 | A678 K679 Q681 | K676-A678 VanDerWaalsContact C-N 3.28Å; K676-A678 PolarHBondContact O-N 3.37Å; K676-K679 PolarHBondContact N-O 3.06Å; K676-K679 PolarHBondContact O-N 3.07Å; K676-Q681 HydrophobicContact CB-CG 4.2Å; K676-Q681 HydrophobicContact CD-CG 4.46Å; K676-Q681 HydrophobicContact CG-CG 4.33Å |
| 677 | N | 84.8 | Confident | 91.5 | Very high | 162 Ų | 162 | 73.8 Ų | 73.8 | 87% | 0.866 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 46.8 | -179.1 | -57.8 | -16.2 | 0 | 0 | 0 | 113 | K679 | N677-K679 PolarHBondContact O-N 3.24Š|
| 678 | A | 84.3 | Confident | 91.1 | Very high | 93 Ų | 93 | 72.9 Ų | 72.9 | 77% | 0.769 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 7.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | K676 | K676-A678 VanDerWaalsContact C-N 3.28Å; K676-A678 PolarHBondContact O-N 3.37Å |
| 679 | K | 90 | Very high | 90.3 | Very high | 150 Ų | 150 | 72.4 Ų | 72.4 | 65% | 0.652 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.1 | 176.4 | -65.1 | -177.1 | -178.5 | -178.4 | 0 | 111.4 | K676 N677 Q681 | K676-K679 PolarHBondContact N-O 3.06Å; K676-K679 PolarHBondContact O-N 3.07Å; N677-K679 PolarHBondContact O-N 3.24Å; K679-Q681 PolarHBondContact O-N 3.41Å; K679-Q681 PolarHBondContact O-NE2 2.77Å |
| 680 | V | 90.7 | Very high | 88.8 | Confident | 74 Ų | 74 | 73.1 Ų | 73.1 | 45% | 0.448 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 124.5 | 172.5 | 173 | 0 | 0 | 0 | 0 | 109.3 | V588 | V588-V680 HydrophobicContact CG1-CG1 3.91Å |
| 681 | Q | 92.1 | Very high | 86.7 | Confident | 68 Ų | 68 | 81.5 Ų | 81.5 | 32% | 0.318 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126.9 | 173.8 | -52.9 | -61 | -52.9 | 0 | 0 | 108.4 | Y591 L674 K676 K679 R683 | Y591-Q681 VanDerWaalsContact CE1-O 3.27Å; Y591-Q681 WeakPolarHBondContact CE1-O 3.47Å; Y591-Q681 PolarHBondContact OH-O 3.1Å; L674-Q681 HydrophobicContact CB-CB 3.99Å; L674-Q681 HydrophobicContact CB-CG 4.35Å; L674-Q681 WeakPolarHBondContact O-CB 3.34Å; L674-Q681 PolarHBondContact O-N 2.87Å; K676-Q681 HydrophobicContact CB-CG 4.2Å; K676-Q681 HydrophobicContact CD-CG 4.46Å; K676-Q681 HydrophobicContact CG-CG 4.33Å; K679-Q681 PolarHBondContact O-N 3.41Å; K679-Q681 PolarHBondContact O-NE2 2.77Å; Q681-R683 VanDerWaalsContact C-N 3.3Å |
| 682 | K | 92.3 | Very high | 84.5 | Confident | 149 Ų | 149 | 76 Ų | 76 | 65% | 0.648 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -82.3 | -8.5 | 176.7 | -62.5 | -171.5 | 176.5 | -173.9 | 0 | 113.6 | G589 Q590 | G589-K682 CarbonylContact C-O 3.47Å; G589-K682 VanDerWaalsContact CA-O 3.23Å; G589-K682 WeakPolarHBondContact CA-O 3.16Å; Q590-K682 PolarHBondContact N-O 3.19Å |
| 683 | R | 93.7 | Very high | 82.3 | Confident | 194 Ų | 194 | 81.8 Ų | 81.8 | 73% | 0.732 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 154.4 | 177.5 | -64.8 | -174.5 | 178.7 | 178.1 | -1 | 111.1 | Q590 Q681 | Q590-R683 VanDerWaalsContact O-CA 3.25Å; Q590-R683 WeakPolarHBondContact O-CA 3.34Å; Q681-R683 VanDerWaalsContact C-N 3.3Å |
| 684 | G | 92 | Very high | 80.1 | Confident | 26 Ų | 26 | 83.1 Ų | 83.1 | 27% | 0.268 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.2 | 164.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y591 D592 | Y591-G684 CarbonylContact C-O 3.59Å; Y591-G684 WeakPolarHBondContact CA-O 3.34Å; D592-G684 PolarHBondContact N-O 2.8Å |
| 685 | K | 91.4 | Very high | 78.3 | Confident | 126 Ų | 126 | 84.5 Ų | 84.5 | 55% | 0.548 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139.2 | 175.5 | -172.5 | 175.4 | -180 | 179.6 | 0 | 110.9 | D592 | D592-K685 HydrophobicContact CB-CB 4.35Å; D592-K685 HydrophobicContact CB-CG 4.23Å; D592-K685 CarbonylContact O-C 3.55Å; D592-K685 VanDerWaalsContact O-CA 3.28Å; D592-K685 WeakPolarHBondContact O-CA 3.46Å |
| 686 | I | 90.5 | Very high | 76.8 | Confident | 13 Ų | 13 | 82.4 Ų | 82.4 | 7% | 0.067 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 127.9 | -177.2 | -47.6 | 179.8 | 0 | 0 | 0 | 108.8 | D592 L593 E594 L643 F672 L674 L688 | D592-I686 PolarHBondContact O-N 3.3Å; L593-I686 HydrophobicContact CD2-CB 3.93Å; L593-I686 HydrophobicContact CD2-CD1 3.73Å; L593-I686 HydrophobicContact CD2-CG1 4.07Å; E594-I686 PolarHBondContact N-O 3.25Å; L643-I686 HydrophobicContact CD1-CG2 4.4Å; L643-I686 HydrophobicContact CD2-CG2 4.33Å; F672-I686 HydrophobicContact CE1-CD1 3.87Å; F672-I686 HydrophobicContact CZ-CD1 3.4Å; L674-I686 HydrophobicContact CD1-CD1 3.82Å; L674-I686 HydrophobicContact CD1-CG1 3.72Å; L674-I686 HydrophobicContact CD2-CD1 3.37Å; L674-I686 HydrophobicContact CD2-CG1 3.77Å; L674-I686 HydrophobicContact CG-CD1 3.58Å; L674-I686 HydrophobicContact CG-CG1 4.03Å; I686-L688 HydrophobicContact CG2-CD2 3.75Å; I686-L688 HydrophobicContact CG2-CG 4.01Å |
| 687 | N | 88.7 | Confident | 75.7 | Confident | 69 Ų | 69 | 82 Ų | 82 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 104.1 | 171.3 | -174.9 | -51 | 0 | 0 | 0 | 109.7 | E594 F640 I689 G690 | E594-N687 PolarHBondContact OE1-ND2 3.37Å; E594-N687 PolarHBondContact OE2-ND2 3.4Å; F640-N687 WeakPolarHBondContact CZ-O 3.32Å; N687-I689 WeakPolarHBondContact OD1-CB 3.37Å; N687-I689 PolarHBondContact OD1-N 2.95Å; N687-G690 PolarHBondContact OD1-N 2.94Å |
| 688 | L | 88.1 | Confident | 74.8 | Confident | 2 Ų | 2 | 80.1 Ų | 80.1 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | trans | -97 | -8.7 | 177.5 | -64.8 | 179.3 | 0 | 0 | 0 | 112.9 | L593 E594 V595 Q599 L637 F640 L643 V647 I686 G690 | L593-L688 HydrophobicContact CB-CD1 4.07Å; L593-L688 HydrophobicContact CD1-CD1 3.88Å; L593-L688 HydrophobicContact CD2-CD1 4.11Å; L593-L688 HydrophobicContact CG-CD1 4.24Å; E594-L688 WeakPolarHBondContact O-CA 3.43Å; E594-L688 PolarHBondContact O-N 2.97Å; V595-L688 HydrophobicContact CG1-CB 4.05Å; V595-L688 HydrophobicContact CG1-CD1 3.99Å; Q599-L688 PolarHBondContact NE2-O 2.92Å; L637-L688 HydrophobicContact CD2-CD1 4.37Å; F640-L688 HydrophobicContact CD1-CD2 4.44Å; F640-L688 HydrophobicContact CD2-CD2 4.26Å; F640-L688 HydrophobicContact CE2-CD2 4.38Å; F640-L688 HydrophobicContact CG-CD2 4.28Å; L643-L688 HydrophobicContact CD1-CD2 3.65Å; V647-L688 HydrophobicContact CG2-CD1 3.79Å; V647-L688 HydrophobicContact CG2-CD2 4.45Å; I686-L688 HydrophobicContact CG2-CD2 3.75Å; I686-L688 HydrophobicContact CG2-CG 4.01Å; L688-G690 PolarHBondContact O-N 3Å; L688-G690 VanDerWaalsContact O-N 3.14Å | ||
| 689 | I | 80.6 | Confident | 73.9 | Confident | 9 Ų | 9 | 77.7 Ų | 77.7 | 5% | 0.046 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -49.6 | -36.9 | 164.7 | -62.3 | -179.2 | 0 | 0 | 0 | 109.1 | L464 N579 E594 T596 N687 R691 L692 | L464-I689 HydrophobicContact CD1-CG2 4.4Å; L464-I689 HydrophobicContact CD2-CD1 4.33Å; N579-I689 HydrophobicContact CB-CD1 3.57Å; N579-I689 HydrophobicContact CB-CG1 4.39Å; E594-I689 HydrophobicContact CG-CD1 3.67Å; E594-I689 HydrophobicContact CG-CG1 4.19Å; E594-I689 PolarHBondContact O-N 2.79Å; E594-I689 VanDerWaalsContact O-N 3.17Å; E594-I689 WeakPolarHBondContact OE1-CD1 3.47Å; T596-I689 HydrophobicContact CG2-CG1 4.39Å; T596-I689 HydrophobicContact CG2-CG2 4.26Å; N687-I689 WeakPolarHBondContact OD1-CB 3.37Å; N687-I689 PolarHBondContact OD1-N 2.95Å; I689-R691 CarbonylContact O-C 3.28Å; I689-L692 HydrophobicContact CG2-CB 3.58Å; I689-L692 HydrophobicContact CG2-CD1 3.3Å; I689-L692 HydrophobicContact CG2-CG 3.45Å; I689-L692 VanDerWaalsContact CG2-CG 3.45Å; I689-L692 WeakPolarHBondContact O-CA 3.44Å; I689-L692 PolarHBondContact O-N 3.47Å |
| 690 | G | 64.1 | Low | 72.9 | Confident | 29 Ų | 29 | 75 Ų | 75 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | trans | 65.2 | -151.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R460 N687 L688 L692 | R460-G690 PolarHBondContact NH2-O 3.41Å; N687-G690 PolarHBondContact OD1-N 2.94Å; L688-G690 PolarHBondContact O-N 3Å; L688-G690 VanDerWaalsContact O-N 3.14Å; G690-L692 PolarHBondContact O-N 3.35Å | ||
| 691 | R | 52 | Low | 72 | Confident | 213 Ų | 213 | 74.8 Ų | 74.8 | 80% | 0.804 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -72.9 | 77.9 | 149.9 | -70 | -173.5 | -166.7 | 179.3 | 3.8 | 105.5 | R460 I689 Q693 | R460-R691 VanDerWaalsContact NH2-CA 3.27Å; I689-R691 CarbonylContact O-C 3.28Å; R691-Q693 PolarHBondContact O-N 3.18Å |
| 692 | L | 46.9 | Very low | 71.1 | Confident | 11 Ų | 11 | 74.5 Ų | 74.5 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | trans | -22.9 | 107.9 | 161.1 | -140.7 | 164.9 | 0 | 0 | 0 | 105.6 | R460 L464 T596 I689 G690 L694 | R460-L692 PolarHBondContact NH1-O 2.74Å; R460-L692 PolarHBondContact NH2-O 2.87Å; L464-L692 HydrophobicContact CD1-CD1 3.9Å; L464-L692 HydrophobicContact CD2-CD1 3.82Å; L464-L692 HydrophobicContact CG-CD1 4.39Å; T596-L692 HydrophobicContact CG2-CD1 4.21Å; T596-L692 HydrophobicContact CG2-CD2 4.05Å; T596-L692 HydrophobicContact CG2-CG 3.75Å; I689-L692 HydrophobicContact CG2-CB 3.58Å; I689-L692 HydrophobicContact CG2-CD1 3.3Å; I689-L692 HydrophobicContact CG2-CG 3.45Å; I689-L692 VanDerWaalsContact CG2-CG 3.45Å; I689-L692 WeakPolarHBondContact O-CA 3.44Å; I689-L692 PolarHBondContact O-N 3.47Å; G690-L692 PolarHBondContact O-N 3.35Å; L692-L694 HydrophobicContact CB-CG 4.19Å; L692-L694 HydrophobicContact CD2-CD2 3.68Å; L692-L694 HydrophobicContact CD2-CG 3.73Å; L692-L694 HydrophobicContact CG-CG 4.38Å; L692-L694 PolarHBondContact O-N 2.83Å | ||
| 693 | Q | 47.9 | Very low | 70.1 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 58% | 0.575 | 31% | 0.313 | S | S | * | . | trans | -74.2 | 66.1 | -176.8 | -75.4 | -171.6 | -7.3 | 0 | 0 | 107.1 | R691 T695 T696 | R691-Q693 PolarHBondContact O-N 3.18Å; Q693-T695 PolarHBondContact O-N 3.36Å; Q693-T695 VanDerWaalsContact O-N 3.1Å; Q693-T696 HydrophobicContact CB-CG2 4.5Å | ||
| 694 | L | 47.7 | Very low | 69.4 | Low | 30 Ų | 30 | 59.7 Ų | 59.7 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -60.7 | -10.5 | 166.5 | -70 | 169.8 | 0 | 0 | 0 | 110.5 | R460 L692 M699 | R460-L694 HydrophobicContact CB-CD1 3.53Å; R460-L694 HydrophobicContact CG-CD1 3.5Å; R460-L694 VanDerWaalsContact CG-CD1 3.5Å; L692-L694 HydrophobicContact CB-CG 4.19Å; L692-L694 HydrophobicContact CD2-CD2 3.68Å; L692-L694 HydrophobicContact CD2-CG 3.73Å; L692-L694 HydrophobicContact CG-CG 4.38Å; L692-L694 PolarHBondContact O-N 2.83Å; L694-M699 WeakPolarHBondContact O-CE 3.39Å |
| 695 | T | 53 | Low | 68.9 | Low | 50 Ų | 50 | 60.7 Ų | 60.7 | 31% | 0.307 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -130 | 82.8 | 171.7 | 43.6 | 0 | 0 | 0 | 0 | 109.4 | Q693 R700 E703 | Q693-T695 PolarHBondContact O-N 3.36Å; Q693-T695 VanDerWaalsContact O-N 3.1Å; T695-R700 HydrophobicContact CG2-CG 4.46Å; T695-R700 PolarHBondContact O-NH1 2.96Å; T695-E703 WeakPolarHBondContact CG2-OE2 3.48Å |
| 696 | T | 57.6 | Low | 68.4 | Low | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | trans | -63.6 | 160 | 161.1 | 70.9 | 0 | 0 | 0 | 0 | 109 | Q693 R698 M699 R700 | Q693-T696 HydrophobicContact CB-CG2 4.5Å; T696-R698 PolarHBondContact O-N 3.38Å; T696-M699 HydrophobicContact CG2-SD 4.23Å; T696-M699 PolarHBondContact O-N 3.5Å; T696-M699 WeakPolarHBondContact OG1-CG 3.3Å; T696-M699 PolarHBondContact OG1-N 2.9Å; T696-R700 PolarHBondContact O-N 2.64Å | ||
| 697 | E | 62.1 | Low | 68.2 | Low | 123 Ų | 123 | 55.4 Ų | 55.4 | 58% | 0.575 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -53.8 | -39.4 | 175.1 | -172.5 | 142.7 | -118.4 | 0 | 0 | 111.9 | R700 E701 | E697-R700 PolarHBondContact O-N 3.13Å; E697-R700 IonicContact OE1-NH2 3.02Å; E697-R700 PolarHBondContact OE1-NH2 3.47Å; E697-E701 PolarHBondContact O-N 3.33Å |
| 698 | R | 66.1 | Low | 68.1 | Low | 123 Ų | 123 | 52.7 Ų | 52.7 | 46% | 0.464 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 171.7 | -177.1 | 178 | 171.9 | -169.8 | -3.4 | 112.9 | E541 T696 R700 E701 E702 | E541-R698 IonicContact OE1-NH2 3.43Å; E541-R698 IonicContact OE2-CZ 3.9Å; E541-R698 VanDerWaalsContact OE2-CZ 3.24Å; E541-R698 IonicContact OE2-NH1 2.66Å; E541-R698 PolarHBondContact OE2-NH1 3.15Å; E541-R698 IonicContact OE2-NH2 3.72Å; E541-R698 PolarHBondContact OE2-NH2 3.32Å; T696-R698 PolarHBondContact O-N 3.38Å; R698-R700 VanDerWaalsContact C-N 3.31Å; R698-R700 PolarHBondContact O-N 2.96Å; R698-E701 WeakPolarHBondContact O-CB 3.46Å; R698-E701 PolarHBondContact O-N 2.66Å; R698-E702 WeakPolarHBondContact CG-OE1 3.45Å; R698-E702 IonicContact CZ-OE1 3.49Å; R698-E702 IonicContact NE-OE1 3.47Å; R698-E702 PolarHBondContact NE-OE1 3.49Å; R698-E702 IonicContact NH2-OE1 3.77Å; R698-E702 PolarHBondContact NH2-OE1 3.12Å; R698-E702 WeakPolarHBondContact O-CG 3.45Å; R698-E702 PolarHBondContact O-N 3.46Å |
| 699 | M | 64.9 | Low | 68.1 | Low | 42 Ų | 42 | 58.2 Ų | 58.2 | 21% | 0.207 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -33.8 | 177.2 | -72.8 | 176.9 | 86.3 | 0 | 0 | 112.1 | L576 L694 T696 E702 E703 | L576-M699 HydrophobicContact CD2-CE 4.34Å; L694-M699 WeakPolarHBondContact O-CE 3.39Å; T696-M699 HydrophobicContact CG2-SD 4.23Å; T696-M699 PolarHBondContact O-N 3.5Å; T696-M699 WeakPolarHBondContact OG1-CG 3.3Å; T696-M699 PolarHBondContact OG1-N 2.9Å; M699-E702 PolarHBondContact O-N 3.31Å; M699-E703 VanDerWaalsContact O-CB 3.27Å; M699-E703 WeakPolarHBondContact O-CB 3.44Å; M699-E703 WeakPolarHBondContact O-CG 3.26Å; M699-E703 PolarHBondContact O-N 3.1Å |
| 700 | R | 68.2 | Low | 68.4 | Low | 95 Ų | 95 | 60.6 Ų | 60.6 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 172.1 | -67.3 | -169.7 | -61.8 | -93.4 | 6.2 | 111.6 | T695 T696 E697 R698 E703 N704 | T695-R700 HydrophobicContact CG2-CG 4.46Å; T695-R700 PolarHBondContact O-NH1 2.96Å; T696-R700 PolarHBondContact O-N 2.64Å; E697-R700 PolarHBondContact O-N 3.13Å; E697-R700 IonicContact OE1-NH2 3.02Å; E697-R700 PolarHBondContact OE1-NH2 3.47Å; R698-R700 VanDerWaalsContact C-N 3.31Å; R698-R700 PolarHBondContact O-N 2.96Å; R700-E703 PolarHBondContact O-N 3.45Å; R700-N704 WeakPolarHBondContact O-CB 3.45Å; R700-N704 PolarHBondContact O-N 2.96Å; R700-N704 PolarHBondContact O-OD1 3.38Å |
| 701 | E | 71.6 | Confident | 69.8 | Low | 68 Ų | 68 | 59.8 Ų | 59.8 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 173.6 | -72.2 | -179.8 | -163.1 | 0 | 0 | 111.3 | K390 E697 R698 E703 N704 E705 | K390-E701 IonicContact NZ-OE2 3.39Å; K390-E701 PolarHBondContact NZ-OE2 3.47Å; E697-E701 PolarHBondContact O-N 3.33Å; R698-E701 WeakPolarHBondContact O-CB 3.46Å; R698-E701 PolarHBondContact O-N 2.66Å; E701-E703 VanDerWaalsContact C-N 3.32Å; E701-E703 PolarHBondContact O-N 3.24Å; E701-N704 PolarHBondContact O-N 3.38Å; E701-E705 WeakPolarHBondContact O-CB 3.09Å; E701-E705 WeakPolarHBondContact O-CG 3.45Å; E701-E705 PolarHBondContact O-N 2.96Å |
| 702 | E | 72.7 | Confident | 71.7 | Confident | 62 Ų | 62 | 51.1 Ų | 51.1 | 29% | 0.29 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.7 | -35.8 | 177.6 | -70.9 | 170.1 | -177 | 0 | 0 | 112.2 | R698 M699 G706 | R698-E702 WeakPolarHBondContact CG-OE1 3.45Å; R698-E702 IonicContact CZ-OE1 3.49Å; R698-E702 IonicContact NE-OE1 3.47Å; R698-E702 PolarHBondContact NE-OE1 3.49Å; R698-E702 IonicContact NH2-OE1 3.77Å; R698-E702 PolarHBondContact NH2-OE1 3.12Å; R698-E702 WeakPolarHBondContact O-CG 3.45Å; R698-E702 PolarHBondContact O-N 3.46Å; M699-E702 PolarHBondContact O-N 3.31Å; E702-G706 PolarHBondContact O-N 3.07Å |
| 703 | E | 73 | Confident | 73.9 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 172.2 | -78.9 | 173.1 | 164.8 | 0 | 0 | 111.4 | T695 M699 R700 E701 G706 I707 | T695-E703 WeakPolarHBondContact CG2-OE2 3.48Å; M699-E703 VanDerWaalsContact O-CB 3.27Å; M699-E703 WeakPolarHBondContact O-CB 3.44Å; M699-E703 WeakPolarHBondContact O-CG 3.26Å; M699-E703 PolarHBondContact O-N 3.1Å; R700-E703 PolarHBondContact O-N 3.45Å; E701-E703 VanDerWaalsContact C-N 3.32Å; E701-E703 PolarHBondContact O-N 3.24Å; E703-G706 PolarHBondContact O-N 3.37Å; E703-I707 WeakPolarHBondContact O-CG1 3.47Å; E703-I707 PolarHBondContact O-N 3.36Å |
| 704 | N | 79 | Confident | 76.1 | Confident | 16 Ų | 16 | 52 Ų | 52 | 9% | 0.086 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 177.5 | -72.1 | -8.4 | 0 | 0 | 0 | 111.5 | L387 R700 E701 G706 I707 V708 | L387-N704 HydrophobicContact CD2-CB 3.64Å; L387-N704 VanDerWaalsContact CD2-CG 3.49Å; L387-N704 WeakPolarHBondContact CD2-OD1 3.41Å; R700-N704 WeakPolarHBondContact O-CB 3.45Å; R700-N704 PolarHBondContact O-N 2.96Å; R700-N704 PolarHBondContact O-OD1 3.38Å; E701-N704 PolarHBondContact O-N 3.38Å; N704-G706 VanDerWaalsContact C-N 3.28Å; N704-G706 PolarHBondContact O-N 2.77Å; N704-I707 WeakPolarHBondContact O-CB 3.25Å; N704-I707 PolarHBondContact O-N 3.34Å; N704-V708 WeakPolarHBondContact O-CG2 3.43Å; N704-V708 PolarHBondContact O-N 3.33Å; N704-V708 VanDerWaalsContact O-N 3.12Å |
| 705 | E | 80.3 | Confident | 78.3 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.7 | -41.1 | 174 | -74 | 179.8 | -177 | 0 | 0 | 111.1 | E701 I707 V708 Q709 | E701-E705 WeakPolarHBondContact O-CB 3.09Å; E701-E705 WeakPolarHBondContact O-CG 3.45Å; E701-E705 PolarHBondContact O-N 2.96Å; E705-I707 VanDerWaalsContact C-N 3.35Å; E705-I707 PolarHBondContact O-N 3.34Å; E705-V708 PolarHBondContact O-N 3.29Å; E705-Q709 WeakPolarHBondContact O-CB 3.47Å; E705-Q709 WeakPolarHBondContact O-CG 3.39Å; E705-Q709 PolarHBondContact O-N 2.88Å |
| 706 | G | 82.4 | Confident | 80.3 | Confident | 22 Ų | 22 | 49.3 Ų | 49.3 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -38 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E702 E703 N704 L710 | E702-G706 PolarHBondContact O-N 3.07Å; E703-G706 PolarHBondContact O-N 3.37Å; N704-G706 VanDerWaalsContact C-N 3.28Å; N704-G706 PolarHBondContact O-N 2.77Å; G706-L710 WeakPolarHBondContact O-CB 3.29Å; G706-L710 PolarHBondContact O-N 3.39Å |
| 707 | I | 85.3 | Confident | 82.1 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -50.3 | 172.9 | -67.7 | 164.7 | 0 | 0 | 0 | 109.5 | L387 V449 R452 E703 N704 E705 Q709 L710 R711 | L387-I707 HydrophobicContact CD1-CG2 4.25Å; L387-I707 HydrophobicContact CD2-CD1 4.34Å; V449-I707 HydrophobicContact CG2-CD1 4.37Å; V449-I707 HydrophobicContact CG2-CG2 4.4Å; R452-I707 HydrophobicContact CB-CD1 4.11Å; R452-I707 HydrophobicContact CB-CG1 4.15Å; R452-I707 HydrophobicContact CG-CD1 4.04Å; R452-I707 HydrophobicContact CG-CG1 4.01Å; E703-I707 WeakPolarHBondContact O-CG1 3.47Å; E703-I707 PolarHBondContact O-N 3.36Å; N704-I707 WeakPolarHBondContact O-CB 3.25Å; N704-I707 PolarHBondContact O-N 3.34Å; E705-I707 VanDerWaalsContact C-N 3.35Å; E705-I707 PolarHBondContact O-N 3.34Å; I707-Q709 PolarHBondContact O-N 3.15Å; I707-L710 PolarHBondContact O-N 2.91Å; I707-R711 WeakPolarHBondContact O-CG 3.4Å; I707-R711 PolarHBondContact O-N 3.04Å |
| 708 | V | 86.8 | Confident | 83.7 | Confident | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.067 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | -176.9 | -175 | 0 | 0 | 0 | 0 | 111.8 | L387 L389 N704 E705 L710 R711 I712 | L387-V708 HydrophobicContact CB-CG2 3.84Å; L387-V708 HydrophobicContact CD1-CG2 4.31Å; L389-V708 HydrophobicContact CD1-CG1 4.11Å; L389-V708 HydrophobicContact CD2-CB 4.15Å; L389-V708 HydrophobicContact CD2-CG1 3.38Å; L389-V708 HydrophobicContact CG-CG1 3.81Å; N704-V708 WeakPolarHBondContact O-CG2 3.43Å; N704-V708 PolarHBondContact O-N 3.33Å; N704-V708 VanDerWaalsContact O-N 3.12Å; E705-V708 PolarHBondContact O-N 3.29Å; V708-L710 VanDerWaalsContact C-N 3.31Å; V708-L710 PolarHBondContact O-N 3.2Å; V708-R711 WeakPolarHBondContact O-CB 3.48Å; V708-R711 PolarHBondContact O-N 3.38Å; V708-I712 HydrophobicContact CG1-CD1 4.32Å; V708-I712 WeakPolarHBondContact O-CG1 3.29Å; V708-I712 PolarHBondContact O-N 2.89Å |
| 709 | Q | 87.5 | Confident | 85.1 | Confident | 119 Ų | 119 | 42.2 Ų | 42.2 | 56% | 0.556 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -59.7 | -41.8 | 174.4 | -73.2 | 179.2 | 10.7 | 0 | 0 | 111.8 | E705 I707 I712 L713 | E705-Q709 WeakPolarHBondContact O-CB 3.47Å; E705-Q709 WeakPolarHBondContact O-CG 3.39Å; E705-Q709 PolarHBondContact O-N 2.88Å; I707-Q709 PolarHBondContact O-N 3.15Å; Q709-I712 WeakPolarHBondContact O-CB 3.43Å; Q709-I712 PolarHBondContact O-N 3.05Å; Q709-L713 WeakPolarHBondContact O-CG 3.5Å; Q709-L713 PolarHBondContact O-N 3.29Å; Q709-L713 VanDerWaalsContact O-N 3.09Å |
| 710 | L | 88.4 | Confident | 86.6 | Confident | 59 Ų | 59 | 42.3 Ų | 42.3 | 31% | 0.309 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 177.3 | -173.8 | 60.1 | 0 | 0 | 0 | 111.6 | Y489 G706 I707 V708 I712 L713 R714 | Y489-L710 HydrophobicContact CE1-CD2 4.16Å; Y489-L710 WeakPolarHBondContact OH-CD2 3.35Å; G706-L710 WeakPolarHBondContact O-CB 3.29Å; G706-L710 PolarHBondContact O-N 3.39Å; I707-L710 PolarHBondContact O-N 2.91Å; V708-L710 VanDerWaalsContact C-N 3.31Å; V708-L710 PolarHBondContact O-N 3.2Å; L710-I712 VanDerWaalsContact C-N 3.32Å; L710-I712 PolarHBondContact O-N 2.91Å; L710-L713 PolarHBondContact O-N 3.19Å; L710-R714 HydrophobicContact CD1-CG 4.21Å; L710-R714 HydrophobicContact CG-CG 4.27Å; L710-R714 WeakPolarHBondContact O-CB 3.32Å; L710-R714 WeakPolarHBondContact O-CG 3.46Å; L710-R714 PolarHBondContact O-N 3.17Å |
| 711 | R | 92 | Very high | 87.9 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 5% | 0.045 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -40.7 | 174.4 | -71.2 | -179.9 | 177.8 | 177.2 | 0.3 | 112.3 | E401 D448 I707 V708 T715 F746 M752 | E401-R711 IonicContact OE1-CZ 2.79Å; E401-R711 IonicContact OE1-NH1 3.23Å; E401-R711 PolarHBondContact OE1-NH1 3.38Å; E401-R711 IonicContact OE1-NH2 2.79Å; E401-R711 IonicContact OE2-CZ 2.99Å; E401-R711 IonicContact OE2-NH1 3.88Å; E401-R711 PolarHBondContact OE2-NH1 2.92Å; E401-R711 IonicContact OE2-NH2 2.75Å; E401-R711 PolarHBondContact OE2-NH2 3.43Å; D448-R711 IonicContact OD1-CZ 3.33Å; D448-R711 IonicContact OD1-NE 2.68Å; D448-R711 IonicContact OD1-NH2 3.82Å; D448-R711 PolarHBondContact OD1-NH2 3.24Å; D448-R711 WeakPolarHBondContact OD2-CG 3.31Å; D448-R711 IonicContact OD2-CZ 3.25Å; D448-R711 IonicContact OD2-NE 2.79Å; D448-R711 PolarHBondContact OD2-NE 3.43Å; D448-R711 IonicContact OD2-NH2 3.9Å; D448-R711 PolarHBondContact OD2-NH2 3.37Å; I707-R711 WeakPolarHBondContact O-CG 3.4Å; I707-R711 PolarHBondContact O-N 3.04Å; V708-R711 WeakPolarHBondContact O-CB 3.48Å; V708-R711 PolarHBondContact O-N 3.38Å; R711-T715 WeakPolarHBondContact O-CB 3.49Å; R711-T715 PolarHBondContact O-N 2.96Å; R711-T715 PolarHBondContact O-OG1 2.94Å; R711-F746 HydrophobicContact CB-CD2 4.45Å; R711-F746 HydrophobicContact CB-CE1 4.12Å; R711-F746 HydrophobicContact CB-CE2 4.02Å; R711-F746 HydrophobicContact CB-CZ 3.83Å; R711-F746 HydrophobicContact CG-CD1 3.79Å; R711-F746 HydrophobicContact CG-CD2 3.97Å; R711-F746 HydrophobicContact CG-CE1 3.83Å; R711-F746 HydrophobicContact CG-CE2 4.02Å; R711-F746 HydrophobicContact CG-CG 3.87Å; R711-F746 HydrophobicContact CG-CZ 3.94Å; R711-M752 HydrophobicContact CB-CE 4.12Å; R711-M752 HydrophobicContact CB-SD 4.08Å |
| 712 | I | 93 | Very high | 89.1 | Confident | 31 Ų | 31 | 40.6 Ų | 40.6 | 16% | 0.159 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.8 | -54.9 | 174.2 | -73.1 | 168 | 0 | 0 | 0 | 110.1 | V708 Q709 L710 R714 T715 Q716 M752 | V708-I712 HydrophobicContact CG1-CD1 4.32Å; V708-I712 WeakPolarHBondContact O-CG1 3.29Å; V708-I712 PolarHBondContact O-N 2.89Å; Q709-I712 WeakPolarHBondContact O-CB 3.43Å; Q709-I712 PolarHBondContact O-N 3.05Å; L710-I712 VanDerWaalsContact C-N 3.32Å; L710-I712 PolarHBondContact O-N 2.91Å; I712-R714 PolarHBondContact O-N 3.16Å; I712-T715 WeakPolarHBondContact O-CB 3.3Å; I712-T715 PolarHBondContact O-N 3.14Å; I712-Q716 WeakPolarHBondContact O-CG 3.41Å; I712-Q716 PolarHBondContact O-N 3.39Å; I712-M752 HydrophobicContact CG1-SD 4.27Å |
| 713 | L | 92.8 | Very high | 90.2 | Very high | 101 Ų | 101 | 37.6 Ų | 37.6 | 53% | 0.529 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.2 | -42.5 | -178.5 | -66.6 | 172.8 | 0 | 0 | 0 | 112.4 | Q709 L710 T715 Q716 E717 | Q709-L713 WeakPolarHBondContact O-CG 3.5Å; Q709-L713 PolarHBondContact O-N 3.29Å; Q709-L713 VanDerWaalsContact O-N 3.09Å; L710-L713 PolarHBondContact O-N 3.19Å; L713-T715 VanDerWaalsContact C-N 3.33Å; L713-T715 PolarHBondContact O-N 3.25Å; L713-Q716 PolarHBondContact O-N 3.47Å; L713-E717 WeakPolarHBondContact O-CB 3.49Å; L713-E717 PolarHBondContact O-N 3.5Å |
| 714 | R | 93.4 | Very high | 91.2 | Very high | 51 Ų | 51 | 43 Ų | 43 | 19% | 0.192 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -35.9 | 177.4 | -70 | -66.2 | -170.9 | -166.5 | 7.2 | 112.5 | D488 L710 I712 E717 A718 L742 M745 F746 | D488-R714 IonicContact OD2-CZ 3.84Å; D488-R714 IonicContact OD2-NH2 3.45Å; D488-R714 PolarHBondContact OD2-NH2 3.33Å; L710-R714 HydrophobicContact CD1-CG 4.21Å; L710-R714 HydrophobicContact CG-CG 4.27Å; L710-R714 WeakPolarHBondContact O-CB 3.32Å; L710-R714 WeakPolarHBondContact O-CG 3.46Å; L710-R714 PolarHBondContact O-N 3.17Å; I712-R714 PolarHBondContact O-N 3.16Å; R714-E717 WeakPolarHBondContact CD-OE2 3.46Å; R714-E717 IonicContact CZ-OE2 2.71Å; R714-E717 IonicContact NE-OE2 2.7Å; R714-E717 IonicContact NH1-OE1 3.22Å; R714-E717 IonicContact NH1-OE2 3.19Å; R714-E717 PolarHBondContact NH1-OE2 3.02Å; R714-A718 VanDerWaalsContact O-CB 3.3Å; R714-A718 WeakPolarHBondContact O-CB 3.46Å; R714-A718 PolarHBondContact O-N 2.72Å; R714-L742 HydrophobicContact CB-CD2 4.37Å; R714-M745 HydrophobicContact CB-CE 4.4Å; R714-M745 HydrophobicContact CG-CE 3.73Å; R714-F746 HydrophobicContact CB-CE1 4.06Å; R714-F746 HydrophobicContact CB-CZ 4.39Å |
| 715 | T | 95 | Very high | 92 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.2 | -45.6 | 174.3 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | R711 I712 L713 A718 I719 L738 M752 Q756 | R711-T715 WeakPolarHBondContact O-CB 3.49Å; R711-T715 PolarHBondContact O-N 2.96Å; R711-T715 PolarHBondContact O-OG1 2.94Å; I712-T715 WeakPolarHBondContact O-CB 3.3Å; I712-T715 PolarHBondContact O-N 3.14Å; L713-T715 VanDerWaalsContact C-N 3.33Å; L713-T715 PolarHBondContact O-N 3.25Å; T715-A718 PolarHBondContact O-N 2.97Å; T715-I719 HydrophobicContact CG2-CD1 3.92Å; T715-I719 VanDerWaalsContact O-CG1 3.25Å; T715-I719 WeakPolarHBondContact O-CG1 3.33Å; T715-I719 PolarHBondContact O-N 2.93Å; T715-L738 HydrophobicContact CG2-CD2 4.22Å; T715-M752 VanDerWaalsContact OG1-CE 3.24Å; T715-M752 WeakPolarHBondContact OG1-CE 3.41Å; T715-Q756 HydrophobicContact CG2-CB 4.01Å; T715-Q756 HydrophobicContact CG2-CG 3.83Å |
| 716 | Q | 95 | Very high | 92.7 | Very high | 23 Ų | 23 | 52.9 Ų | 52.9 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 176.2 | -67.6 | 170.7 | -6.3 | 0 | 0 | 111.7 | I712 L713 A718 I719 I720 Q756 W759 | I712-Q716 WeakPolarHBondContact O-CG 3.41Å; I712-Q716 PolarHBondContact O-N 3.39Å; L713-Q716 PolarHBondContact O-N 3.47Å; Q716-A718 PolarHBondContact O-N 3.42Å; Q716-I719 PolarHBondContact O-N 3.21Å; Q716-I720 WeakPolarHBondContact O-CG1 3.48Å; Q716-I720 PolarHBondContact O-N 2.86Å; Q716-Q756 HydrophobicContact CG-CB 4.27Å; Q716-Q756 HydrophobicContact CG-CG 4.23Å; Q716-W759 HydrophobicContact CG-CE3 4.26Å; Q716-W759 HydrophobicContact CG-CZ3 4.44Å |
| 717 | E | 94.5 | Very high | 93.3 | Very high | 100 Ų | 100 | 56.9 Ų | 56.9 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.6 | -49.5 | 177.6 | -178.6 | -175.3 | -169.1 | 0 | 0 | 111.8 | L713 R714 I719 I720 Q721 | L713-E717 WeakPolarHBondContact O-CB 3.49Å; L713-E717 PolarHBondContact O-N 3.5Å; R714-E717 WeakPolarHBondContact CD-OE2 3.46Å; R714-E717 IonicContact CZ-OE2 2.71Å; R714-E717 IonicContact NE-OE2 2.7Å; R714-E717 IonicContact NH1-OE1 3.22Å; R714-E717 IonicContact NH1-OE2 3.19Å; R714-E717 PolarHBondContact NH1-OE2 3.02Å; E717-I719 PolarHBondContact O-N 2.62Å; E717-I720 PolarHBondContact O-N 3.23Å; E717-Q721 WeakPolarHBondContact O-CB 3.47Å; E717-Q721 PolarHBondContact O-N 3.26Å |
| 718 | A | 95.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R714 T715 Q716 Q721 I722 L738 I741 L742 | R714-A718 VanDerWaalsContact O-CB 3.3Å; R714-A718 WeakPolarHBondContact O-CB 3.46Å; R714-A718 PolarHBondContact O-N 2.72Å; T715-A718 PolarHBondContact O-N 2.97Å; Q716-A718 PolarHBondContact O-N 3.42Å; A718-Q721 PolarHBondContact O-N 3.42Å; A718-I722 WeakPolarHBondContact O-CG1 3.31Å; A718-I722 PolarHBondContact O-N 3.25Å; A718-L738 HydrophobicContact CB-CD1 3.51Å; A718-I741 HydrophobicContact CB-CG2 4.11Å; A718-L742 HydrophobicContact CB-CD1 4.42Å; A718-L742 HydrophobicContact CB-CD2 4.1Å; A718-L742 HydrophobicContact CB-CG 4.25Å |
| 719 | I | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 174.7 | -67.1 | 165.2 | 0 | 0 | 0 | 110.2 | T715 Q716 E717 Q721 I722 M723 L734 L738 Q756 I757 L760 | T715-I719 HydrophobicContact CG2-CD1 3.92Å; T715-I719 VanDerWaalsContact O-CG1 3.25Å; T715-I719 WeakPolarHBondContact O-CG1 3.33Å; T715-I719 PolarHBondContact O-N 2.93Å; Q716-I719 PolarHBondContact O-N 3.21Å; E717-I719 PolarHBondContact O-N 2.62Å; I719-Q721 VanDerWaalsContact C-N 3.31Å; I719-Q721 PolarHBondContact O-N 3.2Å; I719-I722 PolarHBondContact O-N 3.48Å; I719-M723 HydrophobicContact CG2-CG 3.99Å; I719-M723 VanDerWaalsContact O-CB 3.3Å; I719-M723 WeakPolarHBondContact O-CB 3.49Å; I719-M723 WeakPolarHBondContact O-CG 3.25Å; I719-M723 PolarHBondContact O-N 2.91Å; I719-L734 HydrophobicContact CG2-CD1 4.35Å; I719-L734 HydrophobicContact CG2-CD2 4.35Å; I719-L738 HydrophobicContact CD1-CD2 4.18Å; I719-L738 HydrophobicContact CG1-CD1 3.95Å; I719-L738 HydrophobicContact CG1-CD2 3.91Å; I719-Q756 HydrophobicContact CD1-CB 4.17Å; I719-I757 HydrophobicContact CD1-CG1 4.03Å; I719-L760 HydrophobicContact CB-CD1 3.68Å; I719-L760 HydrophobicContact CD1-CD1 4Å; I719-L760 HydrophobicContact CG1-CD1 4.46Å; I719-L760 HydrophobicContact CG2-CD1 3.38Å |
| 720 | I | 95.8 | Very high | 94.7 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 23% | 0.226 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 178.7 | -69.6 | 169.9 | 0 | 0 | 0 | 110.9 | Q716 E717 M723 K724 L760 Y765 Y778 | Q716-I720 WeakPolarHBondContact O-CG1 3.48Å; Q716-I720 PolarHBondContact O-N 2.86Å; E717-I720 PolarHBondContact O-N 3.23Å; I720-M723 PolarHBondContact O-N 3.5Å; I720-K724 VanDerWaalsContact O-CB 3.23Å; I720-K724 WeakPolarHBondContact O-CB 3.47Å; I720-K724 PolarHBondContact O-N 3.25Å; I720-L760 HydrophobicContact CD1-CD2 3.74Å; I720-L760 HydrophobicContact CG1-CD1 4.46Å; I720-L760 HydrophobicContact CG1-CD2 3.82Å; I720-Y765 HydrophobicContact CD1-CD1 4.21Å; I720-Y765 HydrophobicContact CD1-CE1 4.44Å; I720-Y765 HydrophobicContact CD1-CG 4.35Å; I720-Y778 HydrophobicContact CG2-CE2 4.42Å |
| 721 | Q | 95 | Very high | 95 | Very high | 121 Ų | 121 | 57 Ų | 57 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.2 | -47.3 | 178 | -175.6 | 178.8 | -13.3 | 0 | 0 | 111.9 | E717 A718 I719 M725 | E717-Q721 WeakPolarHBondContact O-CB 3.47Å; E717-Q721 PolarHBondContact O-N 3.26Å; A718-Q721 PolarHBondContact O-N 3.42Å; I719-Q721 VanDerWaalsContact C-N 3.31Å; I719-Q721 PolarHBondContact O-N 3.2Å; Q721-M725 PolarHBondContact O-N 3.36Å |
| 722 | I | 96.4 | Very high | 95.2 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 176.1 | -66.1 | 163.4 | 0 | 0 | 0 | 110.2 | A718 I719 K724 M725 R726 I729 L734 E737 L738 I741 | A718-I722 WeakPolarHBondContact O-CG1 3.31Å; A718-I722 PolarHBondContact O-N 3.25Å; I719-I722 PolarHBondContact O-N 3.48Å; I722-K724 VanDerWaalsContact C-N 3.33Å; I722-K724 PolarHBondContact O-N 3Å; I722-M725 PolarHBondContact O-N 3.18Å; I722-M725 VanDerWaalsContact O-N 3.12Å; I722-R726 HydrophobicContact CG2-CG 4.14Å; I722-R726 WeakPolarHBondContact O-CG 3.41Å; I722-R726 PolarHBondContact O-N 3Å; I722-I729 HydrophobicContact CG2-CD1 3.82Å; I722-L734 HydrophobicContact CB-CD1 4.12Å; I722-L734 HydrophobicContact CD1-CD1 4.03Å; I722-L734 HydrophobicContact CG2-CD1 3.77Å; I722-E737 HydrophobicContact CD1-CB 3.81Å; I722-E737 HydrophobicContact CG1-CB 4.29Å; I722-E737 HydrophobicContact CG2-CB 4.45Å; I722-L738 HydrophobicContact CD1-CB 4.11Å; I722-L738 HydrophobicContact CD1-CD1 4.5Å; I722-I741 HydrophobicContact CD1-CD1 3.8Å; I722-I741 HydrophobicContact CG1-CD1 3.64Å |
| 723 | M | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.6 | -39.6 | -177.3 | -71.6 | -65.6 | -56.4 | 0 | 0 | 112.1 | I719 I720 M725 K727 I729 I766 F776 I777 Y778 | I719-M723 HydrophobicContact CG2-CG 3.99Å; I719-M723 VanDerWaalsContact O-CB 3.3Å; I719-M723 WeakPolarHBondContact O-CB 3.49Å; I719-M723 WeakPolarHBondContact O-CG 3.25Å; I719-M723 PolarHBondContact O-N 2.91Å; I720-M723 PolarHBondContact O-N 3.5Å; M723-M725 VanDerWaalsContact C-N 3.29Å; M723-M725 PolarHBondContact O-N 3.27Å; M723-K727 VanDerWaalsContact O-CA 3.31Å; M723-K727 WeakPolarHBondContact O-CA 3.4Å; M723-K727 PolarHBondContact O-N 3.12Å; M723-I729 HydrophobicContact CE-CG2 4.44Å; M723-I729 HydrophobicContact SD-CG2 3.36Å; M723-I729 WeakPolarHBondContact SD-CG2 3.35Å; M723-I766 HydrophobicContact CB-CG2 4.04Å; M723-I766 HydrophobicContact CE-CB 4.06Å; M723-I766 HydrophobicContact CE-CG2 3.58Å; M723-I766 HydrophobicContact CG-CG2 3.77Å; M723-I766 HydrophobicContact SD-CG2 4.31Å; M723-F776 HydrophobicContact CE-CB 3.65Å; M723-F776 HydrophobicContact SD-CB 4.01Å; M723-I777 VanDerWaalsContact CE-C 3.43Å; M723-Y778 HydrophobicContact CB-CD2 3.73Å; M723-Y778 HydrophobicContact CB-CE2 4.49Å; M723-Y778 HydrophobicContact CB-CG 4.25Å; M723-Y778 WeakPolarHBondContact O-CB 3.49Å |
| 724 | K | 95.5 | Very high | 95.4 | Very high | 128 Ų | 128 | 58.7 Ų | 58.7 | 56% | 0.557 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.2 | -36.2 | 176 | -174.3 | 173.2 | -180 | 177.7 | 0 | 112.2 | I720 I722 K727 Y778 | I720-K724 VanDerWaalsContact O-CB 3.23Å; I720-K724 WeakPolarHBondContact O-CB 3.47Å; I720-K724 PolarHBondContact O-N 3.25Å; I722-K724 VanDerWaalsContact C-N 3.33Å; I722-K724 PolarHBondContact O-N 3Å; K724-K727 WeakPolarHBondContact O-CD 3.4Å; K724-K727 WeakPolarHBondContact O-CE 3.15Å; K724-K727 PolarHBondContact O-NZ 3.43Å; K724-Y778 HydrophobicContact CB-CD1 4.48Å; K724-Y778 HydrophobicContact CB-CE1 3.89Å; K724-Y778 HydrophobicContact CB-CE2 4.36Å; K724-Y778 HydrophobicContact CG-CE1 3.88Å |
| 725 | M | 95.6 | Very high | 95.5 | Very high | 147 Ų | 147 | 59 Ų | 59 | 72% | 0.724 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -77.6 | -46.1 | 179.2 | -174.9 | 177.8 | -179.7 | 0 | 0 | 112.6 | Q721 I722 M723 | Q721-M725 PolarHBondContact O-N 3.36Å; I722-M725 PolarHBondContact O-N 3.18Å; I722-M725 VanDerWaalsContact O-N 3.12Å; M723-M725 VanDerWaalsContact C-N 3.29Å; M723-M725 PolarHBondContact O-N 3.27Å |
| 726 | R | 95.4 | Very high | 95.5 | Very high | 126 Ų | 126 | 63.4 Ų | 63.4 | 48% | 0.475 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -85.1 | -27.3 | -173.2 | -62 | -67.9 | -168 | -167.5 | 2.6 | 113.5 | I722 K728 I729 E737 | I722-R726 HydrophobicContact CG2-CG 4.14Å; I722-R726 WeakPolarHBondContact O-CG 3.41Å; I722-R726 PolarHBondContact O-N 3Å; R726-K728 PolarHBondContact O-N 2.87Å; R726-I729 HydrophobicContact CB-CB 4.31Å; R726-I729 HydrophobicContact CG-CD1 4.2Å; R726-E737 IonicContact CZ-OE1 3.19Å; R726-E737 IonicContact CZ-OE2 3.57Å; R726-E737 IonicContact NE-OE1 2.83Å; R726-E737 PolarHBondContact NE-OE1 3.35Å; R726-E737 IonicContact NE-OE2 3.65Å; R726-E737 PolarHBondContact NE-OE2 2.93Å; R726-E737 IonicContact NH2-OE1 3.75Å; R726-E737 PolarHBondContact NH2-OE1 3.36Å; R726-E737 IonicContact NH2-OE2 3.61Å |
| 727 | K | 94.6 | Very high | 95.6 | Very high | 105 Ų | 105 | 64.7 Ų | 64.7 | 46% | 0.457 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 62.4 | -38.1 | -173.7 | -55.9 | -59.4 | -171.5 | 179.9 | 0 | 115.5 | M723 K724 I777 Y778 | M723-K727 VanDerWaalsContact O-CA 3.31Å; M723-K727 WeakPolarHBondContact O-CA 3.4Å; M723-K727 PolarHBondContact O-N 3.12Å; K724-K727 WeakPolarHBondContact O-CD 3.4Å; K724-K727 WeakPolarHBondContact O-CE 3.15Å; K724-K727 PolarHBondContact O-NZ 3.43Å; K727-I777 WeakPolarHBondContact O-CA 3.19Å; K727-Y778 HydrophobicContact CD-CD1 4.01Å; K727-Y778 PolarHBondContact O-N 3.32Å |
| 728 | K | 96 | Very high | 95.6 | Very high | 117 Ų | 117 | 59.9 Ų | 59.9 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 129.1 | 173.4 | -176.6 | 169.6 | 174 | 165.9 | 0 | 109.2 | R726 D769 T775 F776 I777 | R726-K728 PolarHBondContact O-N 2.87Å; K728-D769 WeakPolarHBondContact CE-OD2 3.41Å; K728-D769 IonicContact NZ-OD2 3.31Å; K728-D769 PolarHBondContact NZ-OD2 3.31Å; K728-T775 HydrophobicContact CD-CG2 4.17Å; K728-T775 VanDerWaalsContact CE-CG2 3.47Å; K728-T775 HydrophobicContact CG-CG2 3.61Å; K728-F776 VanDerWaalsContact CA-O 3.31Å; K728-F776 WeakPolarHBondContact CA-O 3.27Å; K728-I777 HydrophobicContact CG-CG1 4.37Å |
| 729 | I | 96.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 145.2 | -177.7 | -167.9 | 170.1 | 0 | 0 | 0 | 111.1 | I722 M723 R726 Q733 L734 F776 | I722-I729 HydrophobicContact CG2-CD1 3.82Å; M723-I729 HydrophobicContact CE-CG2 4.44Å; M723-I729 HydrophobicContact SD-CG2 3.36Å; M723-I729 WeakPolarHBondContact SD-CG2 3.35Å; R726-I729 HydrophobicContact CB-CB 4.31Å; R726-I729 HydrophobicContact CG-CD1 4.2Å; I729-Q733 HydrophobicContact CD1-CB 3.86Å; I729-Q733 HydrophobicContact CG1-CB 3.62Å; I729-L734 HydrophobicContact CD1-CB 4.15Å; I729-L734 HydrophobicContact CG1-CB 4.41Å; I729-L734 HydrophobicContact CG2-CB 4.13Å; I729-L734 HydrophobicContact CG2-CD1 4.47Å; I729-F776 PolarHBondContact N-O 3.15Å; I729-F776 PolarHBondContact O-N 2.93Å |
| 730 | S | 96.6 | Very high | 95.4 | Very high | 33 Ų | 33 | 66.8 Ų | 66.8 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 155.8 | 172.5 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | A732 Q733 L734 N774 | S730-A732 VanDerWaalsContact C-N 3.29Å; S730-A732 PolarHBondContact O-N 2.85Å; S730-Q733 PolarHBondContact O-N 3.07Å; S730-Q733 WeakPolarHBondContact OG-CB 3.4Å; S730-Q733 VanDerWaalsContact OG-CD 3.31Å; S730-Q733 VanDerWaalsContact OG-CG 3.29Å; S730-Q733 WeakPolarHBondContact OG-CG 3.41Å; S730-Q733 PolarHBondContact OG-N 3.18Å; S730-Q733 PolarHBondContact OG-OE1 3.39Å; S730-L734 WeakPolarHBondContact O-CB 3.44Å; S730-L734 PolarHBondContact O-N 2.96Å; S730-N774 CarbonylContact C-O 3.6Å; S730-N774 WeakPolarHBondContact CA-O 3.38Å |
| 731 | N | 94.5 | Very high | 95.2 | Very high | 42 Ų | 42 | 68.1 Ų | 68.1 | 23% | 0.225 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.3 | -39.4 | 179.9 | -177.1 | -85.2 | 0 | 0 | 0 | 112.2 | L734 Q735 N774 F776 | N731-L734 PolarHBondContact O-N 3.02Å; N731-Q735 WeakPolarHBondContact O-CG 3.17Å; N731-Q735 PolarHBondContact O-N 3.48Å; N731-Q735 PolarHBondContact OD1-NE2 3.22Å; N731-N774 WeakPolarHBondContact CB-O 3.25Å; N731-N774 PolarHBondContact N-O 3.4Å; N731-F776 HydrophobicContact CB-CE2 3.82Å; N731-F776 HydrophobicContact CB-CZ 4.36Å; N731-F776 VanDerWaalsContact ND2-CE2 3.32Å; N731-F776 WeakPolarHBondContact ND2-CE2 3.48Å; N731-F776 WeakPolarHBondContact ND2-CZ 3.37Å |
| 732 | A | 94.8 | Very high | 95.1 | Very high | 67 Ų | 67 | 62.5 Ų | 62.5 | 55% | 0.554 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.6 | -48.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S730 L734 Q735 T736 | S730-A732 VanDerWaalsContact C-N 3.29Å; S730-A732 PolarHBondContact O-N 2.85Å; A732-L734 PolarHBondContact O-N 3.12Å; A732-Q735 PolarHBondContact O-N 3.28Å; A732-T736 PolarHBondContact O-N 3.35Å; A732-T736 PolarHBondContact O-OG1 3.31Å |
| 733 | Q | 95.7 | Very high | 94.8 | Very high | 112 Ų | 112 | 66.2 Ų | 66.2 | 52% | 0.523 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 177.8 | -72.1 | 169.6 | -38 | 0 | 0 | 111.9 | I729 S730 Q735 T736 E737 | I729-Q733 HydrophobicContact CD1-CB 3.86Å; I729-Q733 HydrophobicContact CG1-CB 3.62Å; S730-Q733 PolarHBondContact O-N 3.07Å; S730-Q733 WeakPolarHBondContact OG-CB 3.4Å; S730-Q733 VanDerWaalsContact OG-CD 3.31Å; S730-Q733 VanDerWaalsContact OG-CG 3.29Å; S730-Q733 WeakPolarHBondContact OG-CG 3.41Å; S730-Q733 PolarHBondContact OG-N 3.18Å; S730-Q733 PolarHBondContact OG-OE1 3.39Å; Q733-Q735 VanDerWaalsContact C-N 3.34Å; Q733-Q735 PolarHBondContact O-N 3.06Å; Q733-T736 PolarHBondContact O-N 3.3Å; Q733-E737 PolarHBondContact O-N 3.44Å |
| 734 | L | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 175.9 | 178 | 62.8 | 0 | 0 | 0 | 111.1 | I719 I722 I729 S730 N731 A732 L738 I757 F776 | I719-L734 HydrophobicContact CG2-CD1 4.35Å; I719-L734 HydrophobicContact CG2-CD2 4.35Å; I722-L734 HydrophobicContact CB-CD1 4.12Å; I722-L734 HydrophobicContact CD1-CD1 4.03Å; I722-L734 HydrophobicContact CG2-CD1 3.77Å; I729-L734 HydrophobicContact CD1-CB 4.15Å; I729-L734 HydrophobicContact CG1-CB 4.41Å; I729-L734 HydrophobicContact CG2-CB 4.13Å; I729-L734 HydrophobicContact CG2-CD1 4.47Å; S730-L734 WeakPolarHBondContact O-CB 3.44Å; S730-L734 PolarHBondContact O-N 2.96Å; N731-L734 PolarHBondContact O-N 3.02Å; A732-L734 PolarHBondContact O-N 3.12Å; L734-L738 WeakPolarHBondContact O-CB 3.22Å; L734-L738 PolarHBondContact O-N 3.12Å; L734-I757 HydrophobicContact CD2-CD1 3.89Å; L734-I757 HydrophobicContact CD2-CG1 4.32Å; L734-F776 HydrophobicContact CD2-CD2 3.75Å; L734-F776 HydrophobicContact CD2-CE2 3.94Å |
| 735 | Q | 94.9 | Very high | 94.1 | Very high | 58 Ų | 58 | 65 Ų | 65 | 27% | 0.271 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 177.4 | -74.2 | -172 | 45.1 | 0 | 0 | 112 | N731 A732 Q733 L738 V739 I753 | N731-Q735 WeakPolarHBondContact O-CG 3.17Å; N731-Q735 PolarHBondContact O-N 3.48Å; N731-Q735 PolarHBondContact OD1-NE2 3.22Å; A732-Q735 PolarHBondContact O-N 3.28Å; Q733-Q735 VanDerWaalsContact C-N 3.34Å; Q733-Q735 PolarHBondContact O-N 3.06Å; Q735-L738 PolarHBondContact O-N 3.23Å; Q735-V739 WeakPolarHBondContact O-CG2 3.25Å; Q735-V739 PolarHBondContact O-N 3.11Å; Q735-I753 HydrophobicContact CG-CG2 4.29Å |
| 736 | T | 95.5 | Very high | 93.9 | Very high | 93 Ų | 93 | 58.1 Ų | 58.1 | 57% | 0.571 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.4 | -50.7 | 177.2 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | A732 Q733 L738 V739 E740 | A732-T736 PolarHBondContact O-N 3.35Å; A732-T736 PolarHBondContact O-OG1 3.31Å; Q733-T736 PolarHBondContact O-N 3.3Å; T736-L738 VanDerWaalsContact C-N 3.32Å; T736-L738 PolarHBondContact O-N 2.89Å; T736-V739 PolarHBondContact O-N 2.86Å; T736-E740 WeakPolarHBondContact O-CG 3.24Å; T736-E740 PolarHBondContact O-N 2.87Å; T736-E740 VanDerWaalsContact O-N 3.1Å |
| 737 | E | 96.1 | Very high | 93.6 | Very high | 49 Ų | 49 | 55.6 Ų | 55.6 | 23% | 0.229 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -37.9 | 178.7 | -70.2 | -169.3 | -158.9 | 0 | 0 | 111.7 | I722 R726 Q733 E740 I741 | I722-E737 HydrophobicContact CD1-CB 3.81Å; I722-E737 HydrophobicContact CG1-CB 4.29Å; I722-E737 HydrophobicContact CG2-CB 4.45Å; R726-E737 IonicContact CZ-OE1 3.19Å; R726-E737 IonicContact CZ-OE2 3.57Å; R726-E737 IonicContact NE-OE1 2.83Å; R726-E737 PolarHBondContact NE-OE1 3.35Å; R726-E737 IonicContact NE-OE2 3.65Å; R726-E737 PolarHBondContact NE-OE2 2.93Å; R726-E737 IonicContact NH2-OE1 3.75Å; R726-E737 PolarHBondContact NH2-OE1 3.36Å; R726-E737 IonicContact NH2-OE2 3.61Å; Q733-E737 PolarHBondContact O-N 3.44Å; E737-E740 PolarHBondContact O-N 2.87Å; E737-I741 WeakPolarHBondContact O-CG1 3.38Å; E737-I741 PolarHBondContact O-N 2.92Å |
| 738 | L | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 178.3 | -178.6 | 62.9 | 0 | 0 | 0 | 112.4 | T715 A718 I719 I722 L734 Q735 T736 E740 I741 L742 I753 | T715-L738 HydrophobicContact CG2-CD2 4.22Å; A718-L738 HydrophobicContact CB-CD1 3.51Å; I719-L738 HydrophobicContact CD1-CD2 4.18Å; I719-L738 HydrophobicContact CG1-CD1 3.95Å; I719-L738 HydrophobicContact CG1-CD2 3.91Å; I722-L738 HydrophobicContact CD1-CB 4.11Å; I722-L738 HydrophobicContact CD1-CD1 4.5Å; L734-L738 WeakPolarHBondContact O-CB 3.22Å; L734-L738 PolarHBondContact O-N 3.12Å; Q735-L738 PolarHBondContact O-N 3.23Å; T736-L738 VanDerWaalsContact C-N 3.32Å; T736-L738 PolarHBondContact O-N 2.89Å; L738-E740 VanDerWaalsContact C-N 3.32Å; L738-I741 PolarHBondContact O-N 3.23Å; L738-L742 HydrophobicContact CD1-CD1 3.53Å; L738-L742 HydrophobicContact CD1-CG 4.13Å; L738-L742 HydrophobicContact CG-CD1 3.96Å; L738-L742 WeakPolarHBondContact O-CB 3.49Å; L738-L742 WeakPolarHBondContact O-CG 3.48Å; L738-L742 PolarHBondContact O-N 3.02Å; L738-I753 HydrophobicContact CD2-CB 4.4Å; L738-I753 HydrophobicContact CD2-CD1 4.05Å; L738-I753 HydrophobicContact CD2-CG1 3.79Å; L738-I753 HydrophobicContact CD2-CG2 3.84Å |
| 739 | V | 93.5 | Very high | 92.9 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 176.1 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | Q735 T736 I741 L742 K743 L747 P748 | Q735-V739 WeakPolarHBondContact O-CG2 3.25Å; Q735-V739 PolarHBondContact O-N 3.11Å; T736-V739 PolarHBondContact O-N 2.86Å; V739-I741 VanDerWaalsContact C-N 3.34Å; V739-I741 PolarHBondContact O-N 3.2Å; V739-L742 PolarHBondContact O-N 3.38Å; V739-K743 WeakPolarHBondContact O-CB 3.42Å; V739-K743 PolarHBondContact O-N 3.25Å; V739-L747 HydrophobicContact CG1-CD1 3.91Å; V739-P748 HydrophobicContact CG2-CG 4.12Å |
| 740 | E | 92.6 | Very high | 92.6 | Very high | 104 Ų | 104 | 56.1 Ų | 56.1 | 49% | 0.486 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 178.2 | -75.9 | -65.1 | 112.2 | 0 | 0 | 113.2 | T736 E737 L738 K743 | T736-E740 WeakPolarHBondContact O-CG 3.24Å; T736-E740 PolarHBondContact O-N 2.87Å; T736-E740 VanDerWaalsContact O-N 3.1Å; E737-E740 PolarHBondContact O-N 2.87Å; L738-E740 VanDerWaalsContact C-N 3.32Å; E740-K743 IonicContact OE1-NZ 2.75Å; E740-K743 PolarHBondContact OE1-NZ 2.92Å; E740-K743 WeakPolarHBondContact OE2-CE 3.22Å; E740-K743 IonicContact OE2-NZ 3.57Å; E740-K743 PolarHBondContact OE2-NZ 2.81Å |
| 741 | I | 92.3 | Very high | 92.2 | Very high | 72 Ų | 72 | 59.7 Ų | 59.7 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.8 | -44.5 | 174.9 | -66.9 | 176.3 | 0 | 0 | 0 | 111.1 | A718 I722 E737 L738 V739 | A718-I741 HydrophobicContact CB-CG2 4.11Å; I722-I741 HydrophobicContact CD1-CD1 3.8Å; I722-I741 HydrophobicContact CG1-CD1 3.64Å; E737-I741 WeakPolarHBondContact O-CG1 3.38Å; E737-I741 PolarHBondContact O-N 2.92Å; L738-I741 PolarHBondContact O-N 3.23Å; V739-I741 VanDerWaalsContact C-N 3.34Å; V739-I741 PolarHBondContact O-N 3.2Å |
| 742 | L | 93 | Very high | 92 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -88.5 | -20 | -169.6 | -65.6 | 177.6 | 0 | 0 | 0 | 114.6 | R714 A718 L738 V739 N744 M745 F746 P748 | R714-L742 HydrophobicContact CB-CD2 4.37Å; A718-L742 HydrophobicContact CB-CD1 4.42Å; A718-L742 HydrophobicContact CB-CD2 4.1Å; A718-L742 HydrophobicContact CB-CG 4.25Å; L738-L742 HydrophobicContact CD1-CD1 3.53Å; L738-L742 HydrophobicContact CD1-CG 4.13Å; L738-L742 HydrophobicContact CG-CD1 3.96Å; L738-L742 WeakPolarHBondContact O-CB 3.49Å; L738-L742 WeakPolarHBondContact O-CG 3.48Å; L738-L742 PolarHBondContact O-N 3.02Å; V739-L742 PolarHBondContact O-N 3.38Å; L742-N744 PolarHBondContact O-N 2.81Å; L742-M745 HydrophobicContact CD2-SD 4.48Å; L742-M745 WeakPolarHBondContact O-CA 3.5Å; L742-M745 WeakPolarHBondContact O-CB 3.33Å; L742-M745 PolarHBondContact O-N 3.21Å; L742-F746 CarbonylContact C-O 3.58Å; L742-F746 VanDerWaalsContact C-O 3.28Å; L742-F746 HydrophobicContact CD1-CE2 4.23Å; L742-F746 HydrophobicContact CD1-CZ 3.87Å; L742-F746 HydrophobicContact CD2-CE1 4.19Å; L742-F746 HydrophobicContact CD2-CZ 4.2Å; L742-F746 HydrophobicContact CG-CZ 4.44Å; L742-F746 PolarHBondContact O-N 3.25Å; L742-P748 HydrophobicContact CB-CG 4.33Å; L742-P748 HydrophobicContact CD1-CB 4.14Å; L742-P748 HydrophobicContact CD1-CG 3.97Å |
| 743 | K | 89.1 | Confident | 91.9 | Very high | 85 Ų | 85 | 55.6 Ų | 55.6 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -23.2 | -173.5 | 65.4 | -178.3 | 176.6 | -174.5 | 0 | 115.5 | V739 E740 M745 | V739-K743 WeakPolarHBondContact O-CB 3.42Å; V739-K743 PolarHBondContact O-N 3.25Å; E740-K743 IonicContact OE1-NZ 2.75Å; E740-K743 PolarHBondContact OE1-NZ 2.92Å; E740-K743 WeakPolarHBondContact OE2-CE 3.22Å; E740-K743 IonicContact OE2-NZ 3.57Å; E740-K743 PolarHBondContact OE2-NZ 2.81Å; K743-M745 VanDerWaalsContact C-N 3.31Å |
| 744 | N | 86.1 | Confident | 91.8 | Very high | 83 Ų | 83 | 57 Ų | 57 | 44% | 0.444 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -13.8 | 176.6 | -66.8 | -27.7 | 0 | 0 | 0 | 112.8 | K447 L742 | K447-N744 VanDerWaalsContact CD-O 3.3Å; K447-N744 WeakPolarHBondContact CD-O 3.42Å; L742-N744 PolarHBondContact O-N 2.81Å |
| 745 | M | 91 | Very high | 91.6 | Very high | 20 Ų | 20 | 60.8 Ų | 60.8 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -58.8 | 175.7 | -61.2 | -177.2 | 57.8 | 0 | 0 | 111.5 | K447 D448 P486 Y489 R714 L742 K743 | K447-M745 PolarHBondContact N-O 2.82Å; D448-M745 PolarHBondContact N-O 3.22Å; P486-M745 HydrophobicContact CB-CG 4.41Å; P486-M745 HydrophobicContact CG-CB 4.48Å; P486-M745 HydrophobicContact CG-CG 3.46Å; P486-M745 VanDerWaalsContact CG-CG 3.46Å; P486-M745 HydrophobicContact CG-SD 4.39Å; Y489-M745 HydrophobicContact CE2-CE 4.15Å; Y489-M745 WeakPolarHBondContact OH-CE 3.48Å; R714-M745 HydrophobicContact CB-CE 4.4Å; R714-M745 HydrophobicContact CG-CE 3.73Å; L742-M745 HydrophobicContact CD2-SD 4.48Å; L742-M745 WeakPolarHBondContact O-CA 3.5Å; L742-M745 WeakPolarHBondContact O-CB 3.33Å; L742-M745 PolarHBondContact O-N 3.21Å; K743-M745 VanDerWaalsContact C-N 3.31Å |
| 746 | F | 92.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | trans | -162.2 | 159.7 | -177.1 | 65.7 | -88.8 | 0 | 0 | 0 | 109.7 | Q445 R711 R714 L742 P748 M752 | Q445-F746 WeakPolarHBondContact O-CA 3.5Å; R711-F746 HydrophobicContact CB-CD2 4.45Å; R711-F746 HydrophobicContact CB-CE1 4.12Å; R711-F746 HydrophobicContact CB-CE2 4.02Å; R711-F746 HydrophobicContact CB-CZ 3.83Å; R711-F746 HydrophobicContact CG-CD1 3.79Å; R711-F746 HydrophobicContact CG-CD2 3.97Å; R711-F746 HydrophobicContact CG-CE1 3.83Å; R711-F746 HydrophobicContact CG-CE2 4.02Å; R711-F746 HydrophobicContact CG-CG 3.87Å; R711-F746 HydrophobicContact CG-CZ 3.94Å; R714-F746 HydrophobicContact CB-CE1 4.06Å; R714-F746 HydrophobicContact CB-CZ 4.39Å; L742-F746 CarbonylContact C-O 3.58Å; L742-F746 VanDerWaalsContact C-O 3.28Å; L742-F746 HydrophobicContact CD1-CE2 4.23Å; L742-F746 HydrophobicContact CD1-CZ 3.87Å; L742-F746 HydrophobicContact CD2-CE1 4.19Å; L742-F746 HydrophobicContact CD2-CZ 4.2Å; L742-F746 HydrophobicContact CG-CZ 4.44Å; L742-F746 PolarHBondContact O-N 3.25Å; F746-P748 HydrophobicContact CD2-CB 4.46Å; F746-P748 HydrophobicContact CE2-CB 3.86Å; F746-P748 VanDerWaalsContact O-CD 3.3Å; F746-P748 WeakPolarHBondContact O-CD 3.32Å; F746-M752 HydrophobicContact CD2-CE 4.35Å; F746-M752 HydrophobicContact CE2-CE 3.47Å; F746-M752 VanDerWaalsContact CE2-CE 3.47Å; F746-M752 HydrophobicContact CZ-CE 4.14Å | ||
| 747 | L | 89.2 | Confident | 91.6 | Very high | 74 Ų | 74 | 54.4 Ų | 54.4 | 39% | 0.387 | 26% | 0.257 | S | S | . | . | trans | -90.3 | 110 | 173.5 | -171.3 | 65.8 | 0 | 0 | 0 | 110.1 | N446 V739 Q749 | N446-L747 PolarHBondContact OD1-N 2.98Å; N446-L747 VanDerWaalsContact OD1-N 3.17Å; V739-L747 HydrophobicContact CG1-CD1 3.91Å; L747-Q749 PolarHBondContact O-N 3Å | ||
| 748 | P | 88.5 | Confident | 91.5 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | trans | -65.2 | 126.6 | -178.8 | 26.7 | -35.9 | 0 | 0 | 0 | 111.3 | V739 L742 F746 M752 I753 | V739-P748 HydrophobicContact CG2-CG 4.12Å; L742-P748 HydrophobicContact CB-CG 4.33Å; L742-P748 HydrophobicContact CD1-CB 4.14Å; L742-P748 HydrophobicContact CD1-CG 3.97Å; F746-P748 HydrophobicContact CD2-CB 4.46Å; F746-P748 HydrophobicContact CE2-CB 3.86Å; F746-P748 VanDerWaalsContact O-CD 3.3Å; F746-P748 WeakPolarHBondContact O-CD 3.32Å; P748-M752 HydrophobicContact CB-CE 3.96Å; P748-I753 HydrophobicContact CB-CD1 4.02Å; P748-I753 HydrophobicContact CB-CG1 3.9Å; P748-I753 HydrophobicContact CG-CD1 4.08Å; P748-I753 HydrophobicContact CG-CG1 4.45Å | ||
| 749 | Q | 87.4 | Confident | 91.5 | Very high | 59 Ų | 59 | 59.6 Ų | 59.6 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | trans | -69 | 139.7 | 177.2 | -61.4 | -178.6 | 12.1 | 0 | 0 | 110.5 | E401 L747 K751 M752 I753 | E401-Q749 PolarHBondContact OE1-NE2 3.1Å; L747-Q749 PolarHBondContact O-N 3Å; Q749-K751 PolarHBondContact O-N 3.09Å; Q749-K751 VanDerWaalsContact O-N 3.09Å; Q749-M752 HydrophobicContact CB-CB 4.4Å; Q749-M752 WeakPolarHBondContact O-CB 3.34Å; Q749-M752 PolarHBondContact O-N 3.26Å; Q749-I753 PolarHBondContact O-N 2.93Å | ||
| 750 | K | 89 | Confident | 91.6 | Very high | 172 Ų | 172 | 57.5 Ų | 57.5 | 75% | 0.748 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -51.1 | -38.6 | 178.9 | -68.9 | -173.2 | 178.6 | -178 | 0 | 113.1 | I753 K754 | K750-I753 PolarHBondContact O-N 2.78Å; K750-K754 PolarHBondContact O-N 2.83Å; K750-K754 VanDerWaalsContact O-N 3.09Å |
| 751 | K | 89.8 | Confident | 91.7 | Very high | 107 Ų | 107 | 54.3 Ų | 54.3 | 47% | 0.465 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 176.4 | -178.5 | 174.8 | 176.7 | 176.7 | 0 | 111.9 | Q749 I753 K754 E755 | Q749-K751 PolarHBondContact O-N 3.09Å; Q749-K751 VanDerWaalsContact O-N 3.09Å; K751-I753 VanDerWaalsContact C-N 3.34Å; K751-I753 PolarHBondContact O-N 3.05Å; K751-K754 PolarHBondContact O-N 2.83Å; K751-E755 WeakPolarHBondContact CE-OE1 3.48Å; K751-E755 WeakPolarHBondContact CG-OE1 3.34Å; K751-E755 WeakPolarHBondContact O-CG 3.1Å; K751-E755 PolarHBondContact O-N 3.26Å |
| 752 | M | 89.9 | Confident | 91.8 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 177.4 | -174.9 | 172 | 72.5 | 0 | 0 | 111.4 | R711 I712 T715 F746 P748 Q749 K754 E755 Q756 | R711-M752 HydrophobicContact CB-CE 4.12Å; R711-M752 HydrophobicContact CB-SD 4.08Å; I712-M752 HydrophobicContact CG1-SD 4.27Å; T715-M752 VanDerWaalsContact OG1-CE 3.24Å; T715-M752 WeakPolarHBondContact OG1-CE 3.41Å; F746-M752 HydrophobicContact CD2-CE 4.35Å; F746-M752 HydrophobicContact CE2-CE 3.47Å; F746-M752 VanDerWaalsContact CE2-CE 3.47Å; F746-M752 HydrophobicContact CZ-CE 4.14Å; P748-M752 HydrophobicContact CB-CE 3.96Å; Q749-M752 HydrophobicContact CB-CB 4.4Å; Q749-M752 WeakPolarHBondContact O-CB 3.34Å; Q749-M752 PolarHBondContact O-N 3.26Å; M752-K754 VanDerWaalsContact C-N 3.33Å; M752-K754 PolarHBondContact O-N 2.93Å; M752-E755 PolarHBondContact O-N 2.91Å; M752-Q756 HydrophobicContact CG-CG 4.25Å; M752-Q756 VanDerWaalsContact O-CG 3.28Å; M752-Q756 WeakPolarHBondContact O-CG 3.28Å; M752-Q756 PolarHBondContact O-N 3.08Å |
| 753 | I | 92.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.5 | -48.2 | 176.6 | -62 | 169.8 | 0 | 0 | 0 | 110.5 | Q735 L738 P748 Q749 K750 K751 Q756 I757 | Q735-I753 HydrophobicContact CG-CG2 4.29Å; L738-I753 HydrophobicContact CD2-CB 4.4Å; L738-I753 HydrophobicContact CD2-CD1 4.05Å; L738-I753 HydrophobicContact CD2-CG1 3.79Å; L738-I753 HydrophobicContact CD2-CG2 3.84Å; P748-I753 HydrophobicContact CB-CD1 4.02Å; P748-I753 HydrophobicContact CB-CG1 3.9Å; P748-I753 HydrophobicContact CG-CD1 4.08Å; P748-I753 HydrophobicContact CG-CG1 4.45Å; Q749-I753 PolarHBondContact O-N 2.93Å; K750-I753 PolarHBondContact O-N 2.78Å; K751-I753 VanDerWaalsContact C-N 3.34Å; K751-I753 PolarHBondContact O-N 3.05Å; I753-Q756 PolarHBondContact O-N 3.06Å; I753-I757 HydrophobicContact CG2-CD1 3.8Å; I753-I757 HydrophobicContact CG2-CG1 4.44Å; I753-I757 VanDerWaalsContact O-CG1 3.31Å; I753-I757 WeakPolarHBondContact O-CG1 3.33Å; I753-I757 PolarHBondContact O-N 2.78Å |
| 754 | K | 92.6 | Very high | 92.1 | Very high | 141 Ų | 141 | 65.4 Ų | 65.4 | 61% | 0.613 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.7 | -48.8 | 178.4 | -173.1 | -178.7 | 178.6 | -177.2 | 0 | 111.5 | K750 K751 M752 Q756 I757 E758 | K750-K754 PolarHBondContact O-N 2.83Å; K750-K754 VanDerWaalsContact O-N 3.09Å; K751-K754 PolarHBondContact O-N 2.83Å; M752-K754 VanDerWaalsContact C-N 3.33Å; M752-K754 PolarHBondContact O-N 2.93Å; K754-Q756 VanDerWaalsContact C-N 3.33Å; K754-Q756 PolarHBondContact O-N 3.27Å; K754-I757 PolarHBondContact O-N 2.93Å; K754-E758 WeakPolarHBondContact O-CG 3.13Å; K754-E758 PolarHBondContact O-N 2.85Å |
| 755 | E | 93.4 | Very high | 92.5 | Very high | 79 Ų | 79 | 65.9 Ų | 65.9 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 179.2 | -72.1 | 168.4 | -179 | 0 | 0 | 112 | K751 M752 E758 W759 | K751-E755 WeakPolarHBondContact CE-OE1 3.48Å; K751-E755 WeakPolarHBondContact CG-OE1 3.34Å; K751-E755 WeakPolarHBondContact O-CG 3.1Å; K751-E755 PolarHBondContact O-N 3.26Å; M752-E755 PolarHBondContact O-N 2.91Å; E755-E758 PolarHBondContact O-N 3.04Å; E755-W759 WeakPolarHBondContact O-CB 3.11Å; E755-W759 PolarHBondContact O-N 3.46Å |
| 756 | Q | 94.6 | Very high | 92.7 | Very high | 13 Ų | 13 | 64.9 Ų | 64.9 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.2 | -33 | 178.3 | -61.9 | -32.6 | -61.1 | 0 | 0 | 112.9 | T715 Q716 I719 M752 I753 K754 W759 L760 | T715-Q756 HydrophobicContact CG2-CB 4.01Å; T715-Q756 HydrophobicContact CG2-CG 3.83Å; Q716-Q756 HydrophobicContact CG-CB 4.27Å; Q716-Q756 HydrophobicContact CG-CG 4.23Å; I719-Q756 HydrophobicContact CD1-CB 4.17Å; M752-Q756 HydrophobicContact CG-CG 4.25Å; M752-Q756 VanDerWaalsContact O-CG 3.28Å; M752-Q756 WeakPolarHBondContact O-CG 3.28Å; M752-Q756 PolarHBondContact O-N 3.08Å; I753-Q756 PolarHBondContact O-N 3.06Å; K754-Q756 VanDerWaalsContact C-N 3.33Å; K754-Q756 PolarHBondContact O-N 3.27Å; Q756-W759 PolarHBondContact O-N 2.82Å; Q756-L760 WeakPolarHBondContact O-CB 3.43Å; Q756-L760 WeakPolarHBondContact O-CG 3.34Å; Q756-L760 PolarHBondContact O-N 2.98Å |
| 757 | I | 94.4 | Very high | 92.8 | Very high | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 172.5 | -71.4 | 169.8 | 0 | 0 | 0 | 110.5 | I719 L734 I753 K754 W759 L760 I761 I766 F776 | I719-I757 HydrophobicContact CD1-CG1 4.03Å; L734-I757 HydrophobicContact CD2-CD1 3.89Å; L734-I757 HydrophobicContact CD2-CG1 4.32Å; I753-I757 HydrophobicContact CG2-CD1 3.8Å; I753-I757 HydrophobicContact CG2-CG1 4.44Å; I753-I757 VanDerWaalsContact O-CG1 3.31Å; I753-I757 WeakPolarHBondContact O-CG1 3.33Å; I753-I757 PolarHBondContact O-N 2.78Å; K754-I757 PolarHBondContact O-N 2.93Å; I757-W759 VanDerWaalsContact C-N 3.31Å; I757-W759 PolarHBondContact O-N 3.04Å; I757-L760 PolarHBondContact O-N 2.82Å; I757-I761 HydrophobicContact CG2-CD1 3.88Å; I757-I761 WeakPolarHBondContact O-CG1 3.19Å; I757-I761 PolarHBondContact O-N 2.66Å; I757-I766 HydrophobicContact CG2-CD1 4.25Å; I757-F776 HydrophobicContact CD1-CE2 4.11Å; I757-F776 HydrophobicContact CD1-CZ 4.27Å; I757-F776 HydrophobicContact CG2-CD1 4.47Å; I757-F776 HydrophobicContact CG2-CE1 3.73Å; I757-F776 HydrophobicContact CG2-CE2 4.28Å; I757-F776 HydrophobicContact CG2-CZ 3.62Å |
| 758 | E | 94.7 | Very high | 93.1 | Very high | 72 Ų | 72 | 69.6 Ų | 69.6 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 177.2 | -61.1 | -51.9 | 153.4 | 0 | 0 | 111.2 | K754 E755 L760 I761 E762 R768 | K754-E758 WeakPolarHBondContact O-CG 3.13Å; K754-E758 PolarHBondContact O-N 2.85Å; E755-E758 PolarHBondContact O-N 3.04Å; E758-L760 VanDerWaalsContact C-N 3.33Å; E758-L760 PolarHBondContact O-N 2.93Å; E758-I761 PolarHBondContact O-N 2.84Å; E758-I761 VanDerWaalsContact O-N 3.16Å; E758-E762 WeakPolarHBondContact O-CB 3.39Å; E758-E762 PolarHBondContact O-N 3.05Å; E758-R768 IonicContact OE1-CZ 3.84Å; E758-R768 IonicContact OE1-NH2 3.84Å; E758-R768 PolarHBondContact OE1-NH2 2.79Å; E758-R768 IonicContact OE2-CZ 3.94Å; E758-R768 IonicContact OE2-NH1 2.65Å; E758-R768 IonicContact OE2-NH2 2.8Å; E758-R768 PolarHBondContact OE2-NH2 3.07Å |
| 759 | W | 95.3 | Very high | 93.3 | Very high | 86 Ų | 86 | 70.2 Ų | 70.2 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.8 | -44 | 176.4 | -172.8 | 89.8 | 0 | 0 | 0 | 111.8 | Q716 E755 Q756 I757 I761 E762 H763 Y765 | Q716-W759 HydrophobicContact CG-CE3 4.26Å; Q716-W759 HydrophobicContact CG-CZ3 4.44Å; E755-W759 WeakPolarHBondContact O-CB 3.11Å; E755-W759 PolarHBondContact O-N 3.46Å; Q756-W759 PolarHBondContact O-N 2.82Å; I757-W759 VanDerWaalsContact C-N 3.31Å; I757-W759 PolarHBondContact O-N 3.04Å; W759-I761 VanDerWaalsContact C-N 3.33Å; W759-I761 PolarHBondContact O-N 3.23Å; W759-E762 PolarHBondContact O-N 2.95Å; W759-H763 AromaticContact CD1-CE1 3.57Å; W759-H763 AromaticContact CD1-ND1 3.85Å; W759-H763 AromaticContact CD2-CE1 3.94Å; W759-H763 AromaticContact CD2-ND1 3.65Å; W759-H763 AromaticContact CE2-CE1 3.36Å; W759-H763 AromaticContact CE2-CG 3.96Å; W759-H763 AromaticContact CE2-ND1 3.49Å; W759-H763 AromaticContact CE2-NE2 3.71Å; W759-H763 AromaticContact CG-ND1 3.89Å; W759-H763 AromaticContact CZ2-CD2 3.76Å; W759-H763 AromaticContact CZ2-CE1 3.81Å; W759-H763 AromaticContact CZ2-CG 3.93Å; W759-H763 AromaticContact CZ2-ND1 3.93Å; W759-H763 AromaticContact CZ2-NE2 3.68Å; W759-H763 AromaticContact NE1-CE1 3.12Å; W759-H763 PolarHBondContact NE1-CE1 2.84Å; W759-H763 AromaticContact NE1-ND1 3.63Å; W759-H763 AromaticContact NE1-NE2 3.68Å; W759-H763 WeakPolarHBondContact O-CB 3.28Å; W759-H763 PolarHBondContact O-N 3.3Å; W759-H763 PolarHBondContact O-ND1 3.29Å; W759-Y765 HydrophobicContact CH2-CE2 4.22Å; W759-Y765 HydrophobicContact CZ3-CD2 4.34Å; W759-Y765 AromaticContact CZ3-CE2 3.94Å; W759-Y765 HydrophobicContact CZ3-CE2 3.94Å |
| 760 | L | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.6 | -30.4 | 177.6 | -71.8 | 170.4 | 0 | 0 | 0 | 113.2 | I719 I720 Q756 I757 E758 K764 Y765 I766 | I719-L760 HydrophobicContact CB-CD1 3.68Å; I719-L760 HydrophobicContact CD1-CD1 4Å; I719-L760 HydrophobicContact CG1-CD1 4.46Å; I719-L760 HydrophobicContact CG2-CD1 3.38Å; I720-L760 HydrophobicContact CD1-CD2 3.74Å; I720-L760 HydrophobicContact CG1-CD1 4.46Å; I720-L760 HydrophobicContact CG1-CD2 3.82Å; Q756-L760 WeakPolarHBondContact O-CB 3.43Å; Q756-L760 WeakPolarHBondContact O-CG 3.34Å; Q756-L760 PolarHBondContact O-N 2.98Å; I757-L760 PolarHBondContact O-N 2.82Å; E758-L760 VanDerWaalsContact C-N 3.33Å; E758-L760 PolarHBondContact O-N 2.93Å; L760-K764 PolarHBondContact O-N 2.98Å; L760-Y765 HydrophobicContact CD2-CD2 3.62Å; L760-Y765 HydrophobicContact CD2-CE2 4.35Å; L760-Y765 HydrophobicContact CD2-CG 3.99Å; L760-Y765 PolarHBondContact O-N 3.21Å; L760-I766 HydrophobicContact CB-CD1 3.92Å; L760-I766 HydrophobicContact CB-CG1 3.92Å; L760-I766 PolarHBondContact O-N 3.24Å |
| 761 | I | 94.8 | Very high | 93.6 | Very high | 36 Ų | 36 | 72.2 Ų | 72.2 | 19% | 0.185 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.9 | -48.9 | 173 | -67.7 | 166.4 | 0 | 0 | 0 | 110.3 | I757 E758 W759 H763 K764 I766 R768 F776 | I757-I761 HydrophobicContact CG2-CD1 3.88Å; I757-I761 WeakPolarHBondContact O-CG1 3.19Å; I757-I761 PolarHBondContact O-N 2.66Å; E758-I761 PolarHBondContact O-N 2.84Å; E758-I761 VanDerWaalsContact O-N 3.16Å; W759-I761 VanDerWaalsContact C-N 3.33Å; W759-I761 PolarHBondContact O-N 3.23Å; I761-H763 VanDerWaalsContact C-N 3.25Å; I761-H763 PolarHBondContact O-N 3.03Å; I761-K764 PolarHBondContact O-N 2.91Å; I761-I766 WeakPolarHBondContact CA-O 3.29Å; I761-I766 HydrophobicContact CG1-CD1 4.07Å; I761-I766 HydrophobicContact CG1-CG1 3.68Å; I761-R768 HydrophobicContact CD1-CG 4.03Å; I761-F776 HydrophobicContact CD1-CD1 4.48Å; I761-F776 HydrophobicContact CD1-CE1 4.16Å |
| 762 | E | 95 | Very high | 93.7 | Very high | 148 Ų | 148 | 69.9 Ų | 69.9 | 69% | 0.692 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.3 | -38.9 | 178.8 | -173.4 | 178.5 | -169.7 | 0 | 0 | 111.7 | E758 W759 K764 | E758-E762 WeakPolarHBondContact O-CB 3.39Å; E758-E762 PolarHBondContact O-N 3.05Å; W759-E762 PolarHBondContact O-N 2.95Å; E762-K764 VanDerWaalsContact C-N 3.26Å; E762-K764 PolarHBondContact O-N 3.04Å |
| 763 | H | 94.8 | Very high | 93.7 | Very high | 88 Ų | 88 | 74.3 Ų | 74.3 | 41% | 0.407 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 11.2 | 178.7 | -66.1 | 71.8 | 0 | 0 | 0 | 113.9 | W759 I761 Y765 | W759-H763 AromaticContact CD1-CE1 3.57Å; W759-H763 AromaticContact CD1-ND1 3.85Å; W759-H763 AromaticContact CD2-CE1 3.94Å; W759-H763 AromaticContact CD2-ND1 3.65Å; W759-H763 AromaticContact CE2-CE1 3.36Å; W759-H763 AromaticContact CE2-CG 3.96Å; W759-H763 AromaticContact CE2-ND1 3.49Å; W759-H763 AromaticContact CE2-NE2 3.71Å; W759-H763 AromaticContact CG-ND1 3.89Å; W759-H763 AromaticContact CZ2-CD2 3.76Å; W759-H763 AromaticContact CZ2-CE1 3.81Å; W759-H763 AromaticContact CZ2-CG 3.93Å; W759-H763 AromaticContact CZ2-ND1 3.93Å; W759-H763 AromaticContact CZ2-NE2 3.68Å; W759-H763 AromaticContact NE1-CE1 3.12Å; W759-H763 PolarHBondContact NE1-CE1 2.84Å; W759-H763 AromaticContact NE1-ND1 3.63Å; W759-H763 AromaticContact NE1-NE2 3.68Å; W759-H763 WeakPolarHBondContact O-CB 3.28Å; W759-H763 PolarHBondContact O-N 3.3Å; W759-H763 PolarHBondContact O-ND1 3.29Å; I761-H763 VanDerWaalsContact C-N 3.25Å; I761-H763 PolarHBondContact O-N 3.03Å; H763-Y765 VanDerWaalsContact C-N 3.3Å; H763-Y765 HydrophobicContact CB-CD2 3.73Å; H763-Y765 HydrophobicContact CB-CE2 3.62Å; H763-Y765 PolarHBondContact O-N 3.18Å |
| 764 | K | 93.1 | Very high | 93.7 | Very high | 158 Ų | 158 | 78.6 Ų | 78.6 | 69% | 0.687 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 28.4 | 173.1 | -57 | 179.6 | -179.2 | 178.7 | 0 | 115.3 | L760 I761 E762 M779 | L760-K764 PolarHBondContact O-N 2.98Å; I761-K764 PolarHBondContact O-N 2.91Å; E762-K764 VanDerWaalsContact C-N 3.26Å; E762-K764 PolarHBondContact O-N 3.04Å; K764-M779 VanDerWaalsContact C-CE 3.4Å; K764-M779 HydrophobicContact CB-CE 3.54Å; K764-M779 HydrophobicContact CG-CE 4.14Å; K764-M779 VanDerWaalsContact O-CE 3.23Å; K764-M779 WeakPolarHBondContact O-CE 3.3Å |
| 765 | Y | 94 | Very high | 93.8 | Very high | 92 Ų | 92 | 72.7 Ų | 72.7 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -80.4 | -35.5 | 170.6 | -68 | -75.2 | 0 | 0 | 0 | 112 | I720 W759 L760 H763 Y778 M779 | I720-Y765 HydrophobicContact CD1-CD1 4.21Å; I720-Y765 HydrophobicContact CD1-CE1 4.44Å; I720-Y765 HydrophobicContact CD1-CG 4.35Å; W759-Y765 HydrophobicContact CH2-CE2 4.22Å; W759-Y765 HydrophobicContact CZ3-CD2 4.34Å; W759-Y765 AromaticContact CZ3-CE2 3.94Å; W759-Y765 HydrophobicContact CZ3-CE2 3.94Å; L760-Y765 HydrophobicContact CD2-CD2 3.62Å; L760-Y765 HydrophobicContact CD2-CE2 4.35Å; L760-Y765 HydrophobicContact CD2-CG 3.99Å; L760-Y765 PolarHBondContact O-N 3.21Å; H763-Y765 VanDerWaalsContact C-N 3.3Å; H763-Y765 HydrophobicContact CB-CD2 3.73Å; H763-Y765 HydrophobicContact CB-CE2 3.62Å; H763-Y765 PolarHBondContact O-N 3.18Å; Y765-Y778 WeakPolarHBondContact O-CD2 3.25Å; Y765-M779 PolarHBondContact O-N 2.66Å |
| 766 | I | 95 | Very high | 94 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 159.3 | 179.6 | 63.7 | 177.9 | 0 | 0 | 0 | 109.6 | M723 I757 L760 I761 I777 Y778 | M723-I766 HydrophobicContact CB-CG2 4.04Å; M723-I766 HydrophobicContact CE-CB 4.06Å; M723-I766 HydrophobicContact CE-CG2 3.58Å; M723-I766 HydrophobicContact CG-CG2 3.77Å; M723-I766 HydrophobicContact SD-CG2 4.31Å; I757-I766 HydrophobicContact CG2-CD1 4.25Å; L760-I766 HydrophobicContact CB-CD1 3.92Å; L760-I766 HydrophobicContact CB-CG1 3.92Å; L760-I766 PolarHBondContact O-N 3.24Å; I761-I766 WeakPolarHBondContact CA-O 3.29Å; I761-I766 HydrophobicContact CG1-CD1 4.07Å; I761-I766 HydrophobicContact CG1-CG1 3.68Å; I766-I777 CarbonylContact C-O 3.6Å; I766-I777 VanDerWaalsContact CA-O 3.27Å; I766-I777 WeakPolarHBondContact CA-O 3.24Å; I766-Y778 HydrophobicContact CG2-CD2 4.24Å |
| 767 | R | 95.1 | Very high | 94 | Very high | 91 Ų | 91 | 70 Ų | 70 | 34% | 0.343 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 161.6 | 170 | 64.1 | 177.8 | -173.5 | 121.5 | -8.5 | 110.6 | E770 F776 I777 M779 | R767-E770 IonicContact CZ-OE1 3.57Å; R767-E770 IonicContact NH1-OE1 2.88Å; R767-E770 PolarHBondContact NH1-OE1 3.47Å; R767-F776 CarbonylContact O-C 3.6Å; R767-F776 WeakPolarHBondContact O-CA 3.2Å; R767-I777 HydrophobicContact CG-CB 3.96Å; R767-I777 PolarHBondContact N-O 3.46Å; R767-I777 PolarHBondContact O-N 3.09Å; R767-M779 HydrophobicContact CB-CE 4.3Å; R767-M779 HydrophobicContact CB-CG 4.04Å; R767-M779 HydrophobicContact CB-SD 3.6Å; R767-M779 VanDerWaalsContact CD-SD 3.6Å; R767-M779 HydrophobicContact CG-CG 3.77Å; R767-M779 HydrophobicContact CG-SD 3.72Å |
| 768 | R | 95.3 | Very high | 94 | Very high | 83 Ų | 83 | 71.4 Ų | 71.4 | 31% | 0.313 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 145.1 | 167.3 | -60.3 | -171.2 | 173.7 | 94.7 | 1.7 | 109.7 | E758 I761 I773 T775 F776 | E758-R768 IonicContact OE1-CZ 3.84Å; E758-R768 IonicContact OE1-NH2 3.84Å; E758-R768 PolarHBondContact OE1-NH2 2.79Å; E758-R768 IonicContact OE2-CZ 3.94Å; E758-R768 IonicContact OE2-NH1 2.65Å; E758-R768 IonicContact OE2-NH2 2.8Å; E758-R768 PolarHBondContact OE2-NH2 3.07Å; I761-R768 HydrophobicContact CD1-CG 4.03Å; R768-I773 VanDerWaalsContact CD-CG1 3.41Å; R768-T775 CarbonylContact C-O 3.5Å; R768-T775 WeakPolarHBondContact CA-O 3.28Å; R768-F776 HydrophobicContact CG-CD1 4.17Å; R768-F776 HydrophobicContact CG-CE1 4.08Å |
| 769 | D | 93.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 71.9 Ų | 71.9 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | trans | -64.8 | 142.3 | 170.1 | -167.3 | -65.6 | 0 | 0 | 0 | 109.3 | K728 S771 T775 I777 | K728-D769 WeakPolarHBondContact CE-OD2 3.41Å; K728-D769 IonicContact NZ-OD2 3.31Å; K728-D769 PolarHBondContact NZ-OD2 3.31Å; D769-S771 VanDerWaalsContact C-N 3.25Å; D769-S771 PolarHBondContact O-N 3.27Å; D769-S771 WeakPolarHBondContact OD1-CB 3.43Å; D769-S771 PolarHBondContact OD1-N 2.92Å; D769-S771 PolarHBondContact OD1-OG 3.08Å; D769-T775 HydrophobicContact CB-CG2 4.04Å; D769-T775 PolarHBondContact N-O 3.35Å; D769-I777 HydrophobicContact CB-CD1 3.97Å; D769-I777 HydrophobicContact CB-CG1 4.28Å | ||
| 770 | E | 90.8 | Very high | 93 | Very high | 169 Ų | 169 | 72.4 Ų | 72.4 | 79% | 0.79 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -69.2 | -26.5 | -178.9 | -71.5 | 161 | -140.6 | 0 | 0 | 112.2 | R767 | R767-E770 IonicContact CZ-OE1 3.57Å; R767-E770 IonicContact NH1-OE1 2.88Å; R767-E770 PolarHBondContact NH1-OE1 3.47Å |
| 771 | S | 91.4 | Very high | 92.9 | Very high | 104 Ų | 104 | 76 Ų | 76 | 73% | 0.727 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -91.5 | -26.9 | 179.9 | 65.6 | 0 | 0 | 0 | 0 | 113.8 | D769 | D769-S771 VanDerWaalsContact C-N 3.25Å; D769-S771 PolarHBondContact O-N 3.27Å; D769-S771 WeakPolarHBondContact OD1-CB 3.43Å; D769-S771 PolarHBondContact OD1-N 2.92Å; D769-S771 PolarHBondContact OD1-OG 3.08Å |
| 772 | D | 91.6 | Very high | 92.8 | Very high | 57 Ų | 57 | 78.1 Ų | 78.1 | 31% | 0.305 | 39% | 0.392 | S | S | . | . | trans | -144 | 111.6 | -178.8 | 175 | 25.3 | 0 | 0 | 0 | 112 | N774 T775 | D772-N774 PolarHBondContact O-N 3.21Å; D772-N774 VanDerWaalsContact O-N 3.12Å; D772-N774 WeakPolarHBondContact OD1-CB 3.41Å; D772-N774 PolarHBondContact OD1-N 3.03Å; D772-N774 PolarHBondContact OD1-ND2 3.31Å; D772-T775 PolarHBondContact O-N 3.04Å; D772-T775 PolarHBondContact OD2-N 2.8Å; D772-T775 PolarHBondContact OD2-OG1 3.03Å | ||
| 773 | I | 90.8 | Very high | 92.7 | Very high | 114 Ų | 114 | 74.2 Ų | 74.2 | 59% | 0.585 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.7 | 178.9 | -157.5 | 175.1 | 0 | 0 | 0 | 113.1 | R768 T775 | R768-I773 VanDerWaalsContact CD-CG1 3.41Å; I773-T775 VanDerWaalsContact C-N 3.29Å |
| 774 | N | 92.8 | Very high | 92.5 | Very high | 94 Ų | 94 | 73.4 Ų | 73.4 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -0.7 | 177.5 | -60.4 | -59.1 | 0 | 0 | 0 | 112.9 | S730 N731 D772 | S730-N774 CarbonylContact C-O 3.6Å; S730-N774 WeakPolarHBondContact CA-O 3.38Å; N731-N774 WeakPolarHBondContact CB-O 3.25Å; N731-N774 PolarHBondContact N-O 3.4Å; D772-N774 PolarHBondContact O-N 3.21Å; D772-N774 VanDerWaalsContact O-N 3.12Å; D772-N774 WeakPolarHBondContact OD1-CB 3.41Å; D772-N774 PolarHBondContact OD1-N 3.03Å; D772-N774 PolarHBondContact OD1-ND2 3.31Å |
| 775 | T | 94.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 68.1 Ų | 68.1 | 10% | 0.104 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.2 | 177.6 | -66.5 | 0 | 0 | 0 | 0 | 110.1 | K728 R768 D769 D772 I773 | K728-T775 HydrophobicContact CD-CG2 4.17Å; K728-T775 VanDerWaalsContact CE-CG2 3.47Å; K728-T775 HydrophobicContact CG-CG2 3.61Å; R768-T775 CarbonylContact C-O 3.5Å; R768-T775 WeakPolarHBondContact CA-O 3.28Å; D769-T775 HydrophobicContact CB-CG2 4.04Å; D769-T775 PolarHBondContact N-O 3.35Å; D772-T775 PolarHBondContact O-N 3.04Å; D772-T775 PolarHBondContact OD2-N 2.8Å; D772-T775 PolarHBondContact OD2-OG1 3.03Å; I773-T775 VanDerWaalsContact C-N 3.29Å |
| 776 | F | 96.2 | Very high | 92.4 | Very high | 5 Ų | 5 | 66.5 Ų | 66.5 | 2% | 0.022 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 142.6 | 178.3 | -55.4 | -63.6 | 0 | 0 | 0 | 110.7 | M723 K728 I729 N731 L734 I757 I761 R767 R768 | M723-F776 HydrophobicContact CE-CB 3.65Å; M723-F776 HydrophobicContact SD-CB 4.01Å; K728-F776 VanDerWaalsContact CA-O 3.31Å; K728-F776 WeakPolarHBondContact CA-O 3.27Å; I729-F776 PolarHBondContact N-O 3.15Å; I729-F776 PolarHBondContact O-N 2.93Å; N731-F776 HydrophobicContact CB-CE2 3.82Å; N731-F776 HydrophobicContact CB-CZ 4.36Å; N731-F776 VanDerWaalsContact ND2-CE2 3.32Å; N731-F776 WeakPolarHBondContact ND2-CE2 3.48Å; N731-F776 WeakPolarHBondContact ND2-CZ 3.37Å; L734-F776 HydrophobicContact CD2-CD2 3.75Å; L734-F776 HydrophobicContact CD2-CE2 3.94Å; I757-F776 HydrophobicContact CD1-CE2 4.11Å; I757-F776 HydrophobicContact CD1-CZ 4.27Å; I757-F776 HydrophobicContact CG2-CD1 4.47Å; I757-F776 HydrophobicContact CG2-CE1 3.73Å; I757-F776 HydrophobicContact CG2-CE2 4.28Å; I757-F776 HydrophobicContact CG2-CZ 3.62Å; I761-F776 HydrophobicContact CD1-CD1 4.48Å; I761-F776 HydrophobicContact CD1-CE1 4.16Å; R767-F776 CarbonylContact O-C 3.6Å; R767-F776 WeakPolarHBondContact O-CA 3.2Å; R768-F776 HydrophobicContact CG-CD1 4.17Å; R768-F776 HydrophobicContact CG-CE1 4.08Å |
| 777 | I | 94.9 | Very high | 92.2 | Very high | 31 Ų | 31 | 71.3 Ų | 71.3 | 16% | 0.159 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.3 | 176.9 | -57.4 | 170.7 | 0 | 0 | 0 | 108.7 | M723 K727 K728 I766 R767 D769 | M723-I777 VanDerWaalsContact CE-C 3.43Å; K727-I777 WeakPolarHBondContact O-CA 3.19Å; K728-I777 HydrophobicContact CG-CG1 4.37Å; I766-I777 CarbonylContact C-O 3.6Å; I766-I777 VanDerWaalsContact CA-O 3.27Å; I766-I777 WeakPolarHBondContact CA-O 3.24Å; R767-I777 HydrophobicContact CG-CB 3.96Å; R767-I777 PolarHBondContact N-O 3.46Å; R767-I777 PolarHBondContact O-N 3.09Å; D769-I777 HydrophobicContact CB-CD1 3.97Å; D769-I777 HydrophobicContact CB-CG1 4.28Å |
| 778 | Y | 95.8 | Very high | 92 | Very high | 33 Ų | 33 | 69.8 Ų | 69.8 | 13% | 0.129 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 134.6 | 175.6 | -172.9 | -121.1 | 0 | 0 | 0 | 110.9 | I720 M723 K724 K727 Y765 I766 A780 | I720-Y778 HydrophobicContact CG2-CE2 4.42Å; M723-Y778 HydrophobicContact CB-CD2 3.73Å; M723-Y778 HydrophobicContact CB-CE2 4.49Å; M723-Y778 HydrophobicContact CB-CG 4.25Å; M723-Y778 WeakPolarHBondContact O-CB 3.49Å; K724-Y778 HydrophobicContact CB-CD1 4.48Å; K724-Y778 HydrophobicContact CB-CE1 3.89Å; K724-Y778 HydrophobicContact CB-CE2 4.36Å; K724-Y778 HydrophobicContact CG-CE1 3.88Å; K727-Y778 HydrophobicContact CD-CD1 4.01Å; K727-Y778 PolarHBondContact O-N 3.32Å; Y765-Y778 WeakPolarHBondContact O-CD2 3.25Å; I766-Y778 HydrophobicContact CG2-CD2 4.24Å; Y778-A780 WeakPolarHBondContact CD1-OXT 3.38Å; Y778-A780 HydrophobicContact CE1-CB 4.14Å; Y778-A780 WeakPolarHBondContact CE1-OXT 3.23Å; Y778-A780 HydrophobicContact CE2-CB 4.26Å |
| 779 | M | 90.8 | Very high | 91.7 | Very high | 83 Ų | 83 | 68.7 Ų | 68.7 | 41% | 0.409 | 39% | 0.387 | S | S | . | . | trans | -105.9 | -13.3 | -174.1 | -66.6 | -151.9 | -61.7 | 0 | 0 | 115.4 | K764 Y765 R767 | K764-M779 VanDerWaalsContact C-CE 3.4Å; K764-M779 HydrophobicContact CB-CE 3.54Å; K764-M779 HydrophobicContact CG-CE 4.14Å; K764-M779 VanDerWaalsContact O-CE 3.23Å; K764-M779 WeakPolarHBondContact O-CE 3.3Å; Y765-M779 PolarHBondContact O-N 2.66Å; R767-M779 HydrophobicContact CB-CE 4.3Å; R767-M779 HydrophobicContact CB-CG 4.04Å; R767-M779 HydrophobicContact CB-SD 3.6Å; R767-M779 VanDerWaalsContact CD-SD 3.6Å; R767-M779 HydrophobicContact CG-CG 3.77Å; R767-M779 HydrophobicContact CG-SD 3.72Å | ||
| 780 | A | 77.5 | Confident | 91.6 | Very high | 96 Ų | 96 | 73 Ų | 73 | 79% | 0.793 | 41% | 0.411 | S | S | * | . | trans | -100.1 | 0 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y778 | Y778-A780 WeakPolarHBondContact CD1-OXT 3.38Å; Y778-A780 HydrophobicContact CE1-CB 4.14Å; Y778-A780 WeakPolarHBondContact CE1-OXT 3.23Å; Y778-A780 HydrophobicContact CE2-CB 4.26Å |
Retrieved 780 of 780 residues in 174.1 ms
(Link to these results)