| 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 | 32.8 | Very low | 35 | Very low | 224 Ų | 224 | 151.5 Ų | 151.5 | 100% | 1.103 | 83% | 0.832 | S | S | * | * | 0 | 86.6 | 0 | -72.4 | -178.7 | 177.9 | 0 | 0 | 105.7 | |||||
| 2 | E | 31 | Very low | 35 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | 78 | 127.7 | 91.6 | -74.4 | 178.2 | -174.8 | 0 | 0 | 109.7 | |||||
| 3 | T | 33.8 | Very low | 35.4 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | cis | -167 | 140.3 | -2.3 | 17.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 4 | E | 33 | Very low | 36 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -75.3 | 149.9 | 174.4 | -64.7 | -145.9 | 137.3 | 0 | 0 | 112.2 | N6 | E4-N6 PolarHBondContact O-N 3.3Š| ||
| 5 | P | 39.1 | Very low | 37 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -76 | 112.3 | 172.1 | 29.9 | -30.8 | 0 | 0 | 0 | 110.7 | Q7 | P5-Q7 PolarHBondContact O-N 3.01Š| ||
| 6 | N | 31.9 | Very low | 37.5 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | -57.8 | 119.8 | 176.1 | -113.9 | -19.3 | 0 | 0 | 0 | 112.1 | E4 L8 | E4-N6 PolarHBondContact O-N 3.3Å; N6-L8 PolarHBondContact O-N 3.49Å | ||
| 7 | Q | 35.2 | Very low | 37.9 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | -71.8 | 99.9 | 163.8 | -64.7 | -178.2 | 26.2 | 0 | 0 | 109.5 | P5 | P5-Q7 PolarHBondContact O-N 3.01Š| ||
| 8 | L | 35.3 | Very low | 38.5 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | -104 | 71.3 | 164.8 | -79.6 | 165.7 | 0 | 0 | 0 | 109.2 | N6 | N6-L8 PolarHBondContact O-N 3.49Š| ||
| 9 | N | 38.6 | Very low | 39.1 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | trans | -132.1 | 103.1 | 169.3 | -103.7 | -17.1 | 0 | 0 | 0 | 109 | ||||
| 10 | G | 36 | Very low | 39.5 | Very low | 61 Ų | 61 | 136 Ų | 136 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 170.2 | -19.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 11 | S | 38.1 | Very low | 40.1 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -85.9 | -22.5 | -168.6 | -164.2 | 0 | 0 | 0 | 0 | 115.2 | P15 | S11-P15 WeakPolarHBondContact O-CD 3.26Å; S11-P15 VanDerWaalsContact O-CG 3.23Å; S11-P15 WeakPolarHBondContact O-CG 3.47Å |
| 12 | G | 35 | Very low | 41.3 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -83 | -17.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 13 | R | 41.1 | Very low | 42.6 | Very low | 196 Ų | 196 | 121.2 Ų | 121.2 | 74% | 0.74 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -88.9 | -28.8 | -174.6 | -83.9 | -174.5 | -176.6 | -133.9 | -1 | 114.4 | ||
| 14 | V | 42.7 | Very low | 43.8 | Very low | 104 Ų | 104 | 117.7 Ų | 117.7 | 63% | 0.63 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.1 | -42.1 | -177.6 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | W16 R17 L18 | V14-W16 VanDerWaalsContact C-N 3.29Å; V14-W16 PolarHBondContact O-N 3.49Å; V14-R17 PolarHBondContact O-N 2.89Å; V14-L18 PolarHBondContact O-N 3.37Å |
| 15 | P | 51.8 | Low | 45.2 | Very low | 74 Ų | 74 | 113.2 Ų | 113.2 | 48% | 0.481 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61.6 | -37.1 | 177.2 | -23.3 | 34 | 0 | 0 | 0 | 112.7 | S11 L18 M19 | S11-P15 WeakPolarHBondContact O-CD 3.26Å; S11-P15 VanDerWaalsContact O-CG 3.23Å; S11-P15 WeakPolarHBondContact O-CG 3.47Å; P15-L18 PolarHBondContact O-N 3.3Å; P15-M19 WeakPolarHBondContact O-CB 3.32Å; P15-M19 PolarHBondContact O-N 3.26Å |
| 16 | W | 44.9 | Very low | 46.4 | Very low | 123 Ų | 123 | 110 Ų | 110 | 47% | 0.466 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.1 | -36.4 | -178.2 | 171.7 | -124.3 | 0 | 0 | 0 | 114 | V14 K20 | V14-W16 VanDerWaalsContact C-N 3.29Å; V14-W16 PolarHBondContact O-N 3.49Å; W16-K20 HydrophobicContact CD2-CD 4.35Å; W16-K20 HydrophobicContact CH2-CD 4.32Å; W16-K20 HydrophobicContact CH2-CG 4.5Å; W16-K20 HydrophobicContact CZ2-CD 3.81Å; W16-K20 HydrophobicContact CZ2-CG 4.42Å; W16-K20 WeakPolarHBondContact O-CB 3.49Å; W16-K20 VanDerWaalsContact O-CE 3.3Å; W16-K20 WeakPolarHBondContact O-CE 3.4Å; W16-K20 WeakPolarHBondContact O-CG 3.48Å; W16-K20 PolarHBondContact O-N 3.38Å |
| 17 | R | 44.5 | Very low | 47.5 | Very low | 171 Ų | 171 | 106.7 Ų | 106.7 | 65% | 0.645 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74 | -37.8 | 176.9 | -68.5 | -176.7 | -177.4 | -156 | -0 | 111.1 | V14 K20 A21 | V14-R17 PolarHBondContact O-N 2.89Å; R17-K20 PolarHBondContact O-N 2.98Å; R17-A21 PolarHBondContact O-N 3.26Å |
| 18 | L | 49.1 | Very low | 48.8 | Very low | 102 Ų | 102 | 100.4 Ų | 100.4 | 53% | 0.534 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65 | -46.1 | 175.9 | -173 | 65.2 | 0 | 0 | 0 | 111.4 | V14 P15 K20 A21 Q22 | V14-L18 PolarHBondContact O-N 3.37Å; P15-L18 PolarHBondContact O-N 3.3Å; L18-K20 VanDerWaalsContact C-N 3.31Å; L18-K20 PolarHBondContact O-N 3.01Å; L18-A21 PolarHBondContact O-N 3.33Å; L18-Q22 WeakPolarHBondContact O-CB 3.43Å; L18-Q22 VanDerWaalsContact O-CG 3.28Å; L18-Q22 WeakPolarHBondContact O-CG 3.38Å; L18-Q22 PolarHBondContact O-N 3.12Å |
| 19 | M | 49.8 | Very low | 50.3 | Low | 114 Ų | 114 | 95.1 Ų | 95.1 | 56% | 0.562 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.8 | -41.8 | 176.4 | -165.1 | 75.3 | 97.8 | 0 | 0 | 111.5 | P15 Q22 V23 | P15-M19 WeakPolarHBondContact O-CB 3.32Å; P15-M19 PolarHBondContact O-N 3.26Å; M19-Q22 PolarHBondContact O-N 2.81Å; M19-V23 WeakPolarHBondContact O-CG2 3.34Å; M19-V23 PolarHBondContact O-N 3.42Å |
| 20 | K | 46.3 | Very low | 51.5 | Low | 98 Ų | 98 | 92 Ų | 92 | 43% | 0.426 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 175.2 | -81.6 | -173.2 | -74 | -177.7 | 0 | 113.3 | W16 R17 L18 A24 | W16-K20 HydrophobicContact CD2-CD 4.35Å; W16-K20 HydrophobicContact CH2-CD 4.32Å; W16-K20 HydrophobicContact CH2-CG 4.5Å; W16-K20 HydrophobicContact CZ2-CD 3.81Å; W16-K20 HydrophobicContact CZ2-CG 4.42Å; W16-K20 WeakPolarHBondContact O-CB 3.49Å; W16-K20 VanDerWaalsContact O-CE 3.3Å; W16-K20 WeakPolarHBondContact O-CE 3.4Å; W16-K20 WeakPolarHBondContact O-CG 3.48Å; W16-K20 PolarHBondContact O-N 3.38Å; R17-K20 PolarHBondContact O-N 2.98Å; L18-K20 VanDerWaalsContact C-N 3.31Å; L18-K20 PolarHBondContact O-N 3.01Å; K20-A24 WeakPolarHBondContact O-CB 3.43Å; K20-A24 PolarHBondContact O-N 3.11Å; K20-A24 VanDerWaalsContact O-N 3.1Å |
| 21 | A | 52.9 | Low | 52.5 | Low | 51 Ų | 51 | 97.2 Ų | 97.2 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | R17 L18 V23 A24 V25 | R17-A21 PolarHBondContact O-N 3.26Å; L18-A21 PolarHBondContact O-N 3.33Å; A21-V23 PolarHBondContact O-N 2.8Å; A21-A24 PolarHBondContact O-N 3.43Å; A21-V25 WeakPolarHBondContact O-CB 3.33Å; A21-V25 WeakPolarHBondContact O-CG2 3.46Å; A21-V25 PolarHBondContact O-N 2.95Å |
| 22 | Q | 57.2 | Low | 53.8 | Low | 108 Ų | 108 | 95 Ų | 95 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 178 | -75.5 | 173 | -17.3 | 0 | 0 | 112.2 | L18 M19 V25 A26 | L18-Q22 WeakPolarHBondContact O-CB 3.43Å; L18-Q22 VanDerWaalsContact O-CG 3.28Å; L18-Q22 WeakPolarHBondContact O-CG 3.38Å; L18-Q22 PolarHBondContact O-N 3.12Å; M19-Q22 PolarHBondContact O-N 2.81Å; Q22-V25 PolarHBondContact O-N 3.22Å; Q22-A26 WeakPolarHBondContact O-CB 3.23Å; Q22-A26 PolarHBondContact O-N 2.84Å |
| 23 | V | 57.5 | Low | 55.5 | Low | 66 Ų | 66 | 98 Ų | 98 | 40% | 0.4 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.2 | -42 | 177.6 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | M19 A21 V25 A26 M27 | M19-V23 WeakPolarHBondContact O-CG2 3.34Å; M19-V23 PolarHBondContact O-N 3.42Å; A21-V23 PolarHBondContact O-N 2.8Å; V23-V25 VanDerWaalsContact C-N 3.33Å; V23-V25 PolarHBondContact O-N 2.94Å; V23-A26 PolarHBondContact O-N 3.12Å; V23-M27 WeakPolarHBondContact O-CB 3.44Å; V23-M27 VanDerWaalsContact O-CG 3.3Å; V23-M27 WeakPolarHBondContact O-CG 3.44Å; V23-M27 PolarHBondContact O-N 2.91Å |
| 24 | A | 60.3 | Low | 56.8 | Low | 56 Ų | 56 | 91.3 Ų | 91.3 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K20 A21 M27 A28 | K20-A24 WeakPolarHBondContact O-CB 3.43Å; K20-A24 PolarHBondContact O-N 3.11Å; K20-A24 VanDerWaalsContact O-N 3.1Å; A21-A24 PolarHBondContact O-N 3.43Å; A24-M27 PolarHBondContact O-N 3.06Å; A24-A28 PolarHBondContact O-N 3.47Å |
| 25 | V | 62 | Low | 57.6 | Low | 91 Ų | 91 | 92.9 Ų | 92.9 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.8 | -46.6 | 175.5 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | A21 Q22 V23 M27 A28 V29 | A21-V25 WeakPolarHBondContact O-CB 3.33Å; A21-V25 WeakPolarHBondContact O-CG2 3.46Å; A21-V25 PolarHBondContact O-N 2.95Å; Q22-V25 PolarHBondContact O-N 3.22Å; V23-V25 VanDerWaalsContact C-N 3.33Å; V23-V25 PolarHBondContact O-N 2.94Å; V25-M27 VanDerWaalsContact C-N 3.26Å; V25-M27 PolarHBondContact O-N 3.49Å; V25-A28 PolarHBondContact O-N 2.83Å; V25-A28 VanDerWaalsContact O-N 3.17Å; V25-V29 HydrophobicContact CG1-CG2 4.4Å; V25-V29 VanDerWaalsContact O-CG2 3.27Å; V25-V29 WeakPolarHBondContact O-CG2 3.3Å; V25-V29 PolarHBondContact O-N 2.89Å |
| 26 | A | 65.3 | Low | 58.5 | Low | 54 Ų | 54 | 93.5 Ų | 93.5 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.8 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q22 V23 V29 V30 | Q22-A26 WeakPolarHBondContact O-CB 3.23Å; Q22-A26 PolarHBondContact O-N 2.84Å; V23-A26 PolarHBondContact O-N 3.12Å; A26-V29 PolarHBondContact O-N 3.49Å; A26-V30 WeakPolarHBondContact O-CG2 3.47Å; A26-V30 PolarHBondContact O-N 3.23Å |
| 27 | M | 54.6 | Low | 59.8 | Low | 78 Ų | 78 | 90 Ų | 90 | 38% | 0.384 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 177 | -73 | -62.9 | -65.6 | 0 | 0 | 113.3 | V23 A24 V25 V29 V30 R31 F127 | V23-M27 WeakPolarHBondContact O-CB 3.44Å; V23-M27 VanDerWaalsContact O-CG 3.3Å; V23-M27 WeakPolarHBondContact O-CG 3.44Å; V23-M27 PolarHBondContact O-N 2.91Å; A24-M27 PolarHBondContact O-N 3.06Å; V25-M27 VanDerWaalsContact C-N 3.26Å; V25-M27 PolarHBondContact O-N 3.49Å; M27-V29 VanDerWaalsContact C-N 3.33Å; M27-V30 PolarHBondContact O-N 3.02Å; M27-R31 WeakPolarHBondContact O-CB 3.43Å; M27-R31 PolarHBondContact O-N 3.44Å; M27-F127 HydrophobicContact CE-CD1 4.35Å; M27-F127 HydrophobicContact CE-CE1 3.71Å; M27-F127 HydrophobicContact CE-CZ 4.43Å |
| 28 | A | 63 | Low | 61.2 | Low | 59 Ų | 59 | 84 Ų | 84 | 49% | 0.488 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.1 | -36.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A24 V25 R31 S32 | A24-A28 PolarHBondContact O-N 3.47Å; V25-A28 PolarHBondContact O-N 2.83Å; V25-A28 VanDerWaalsContact O-N 3.17Å; A28-R31 PolarHBondContact O-N 3.37Å; A28-S32 VanDerWaalsContact O-CB 3.27Å; A28-S32 WeakPolarHBondContact O-CB 3.43Å; A28-S32 PolarHBondContact O-N 3.29Å; A28-S32 PolarHBondContact O-OG 3.05Å |
| 29 | V | 65.1 | Low | 62 | Low | 46 Ų | 46 | 82.8 Ų | 82.8 | 28% | 0.279 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 175.3 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | V25 A26 M27 S32 H42 L46 | V25-V29 HydrophobicContact CG1-CG2 4.4Å; V25-V29 VanDerWaalsContact O-CG2 3.27Å; V25-V29 WeakPolarHBondContact O-CG2 3.3Å; V25-V29 PolarHBondContact O-N 2.89Å; A26-V29 PolarHBondContact O-N 3.49Å; M27-V29 VanDerWaalsContact C-N 3.33Å; V29-S32 WeakPolarHBondContact CA-OG 3.33Å; V29-S32 PolarHBondContact O-OG 2.78Å; V29-H42 PolarHBondContact O-CD2 3.46Å; V29-H42 PolarHBondContact O-NE2 2.98Å; V29-L46 HydrophobicContact CG1-CD1 4.17Å; V29-L46 HydrophobicContact CG2-CD1 4.16Å |
| 30 | V | 65.2 | Low | 63.2 | Low | 106 Ų | 106 | 85.7 Ų | 85.7 | 64% | 0.642 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.1 | -41 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | A26 M27 R33 | A26-V30 WeakPolarHBondContact O-CG2 3.47Å; A26-V30 PolarHBondContact O-N 3.23Å; M27-V30 PolarHBondContact O-N 3.02Å; V30-R33 WeakPolarHBondContact O-CB 3.24Å |
| 31 | R | 57.1 | Low | 64.6 | Low | 169 Ų | 169 | 86.6 Ų | 86.6 | 64% | 0.638 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -73.2 | -30.4 | 179.2 | -95.8 | -166.1 | 151.2 | 95.2 | 2.5 | 114.7 | M27 A28 R33 | M27-R31 WeakPolarHBondContact O-CB 3.43Å; M27-R31 PolarHBondContact O-N 3.44Å; A28-R31 PolarHBondContact O-N 3.37Å; R31-R33 PolarHBondContact O-N 2.95Å |
| 32 | S | 63.9 | Low | 65.7 | Low | 60 Ų | 60 | 85.4 Ų | 85.4 | 42% | 0.42 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 1.5 | -179.6 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | A28 V29 P34 H42 | A28-S32 VanDerWaalsContact O-CB 3.27Å; A28-S32 WeakPolarHBondContact O-CB 3.43Å; A28-S32 PolarHBondContact O-N 3.29Å; A28-S32 PolarHBondContact O-OG 3.05Å; V29-S32 WeakPolarHBondContact CA-OG 3.33Å; V29-S32 PolarHBondContact O-OG 2.78Å; S32-P34 WeakPolarHBondContact O-CD 3.43Å; S32-H42 PolarHBondContact O-CE1 3.36Å; S32-H42 PolarHBondContact O-NE2 3.07Å; S32-H42 PolarHBondContact OG-NE2 3.41Å |
| 33 | R | 71 | Confident | 66.6 | Low | 132 Ų | 132 | 83 Ų | 83 | 50% | 0.498 | 49% | 0.487 | S | S | . | . | trans | -65.5 | 115.3 | -179.1 | -176.2 | -177.8 | 179.1 | -168.6 | -3.2 | 110.5 | V30 R31 V37 | V30-R33 WeakPolarHBondContact O-CB 3.24Å; R31-R33 PolarHBondContact O-N 2.95Å; R33-V37 PolarHBondContact NE-O 2.98Å; R33-V37 PolarHBondContact NH2-O 2.87Å | ||
| 34 | P | 67.9 | Low | 67.8 | Low | 56 Ų | 56 | 84.4 Ų | 84.4 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | trans | -72.2 | 146.5 | 175.7 | 27.7 | -31.2 | 0 | 0 | 0 | 111.2 | S32 G36 V37 | S32-P34 WeakPolarHBondContact O-CD 3.43Å; P34-G36 PolarHBondContact O-N 2.87Å; P34-V37 HydrophobicContact CG-CB 4.07Å; P34-V37 HydrophobicContact CG-CG2 3.75Å; P34-V37 PolarHBondContact O-N 3.38Å | ||
| 35 | P | 59.8 | Low | 68.8 | Low | 136 Ų | 136 | 84.4 Ų | 84.4 | 88% | 0.883 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 127.1 | 179.1 | 25.3 | -32.2 | 0 | 0 | 0 | 110.2 | ||
| 36 | G | 71.6 | Confident | 69.6 | Low | 88 Ų | 88 | 83 Ų | 83 | 91% | 0.907 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.6 | -8.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | P34 | P34-G36 PolarHBondContact O-N 2.87Š|
| 37 | V | 71.9 | Confident | 70.2 | Confident | 48 Ų | 48 | 81.5 Ų | 81.5 | 29% | 0.291 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -100.1 | 139.1 | 177.4 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | R33 P34 Q41 H42 | R33-V37 PolarHBondContact NE-O 2.98Å; R33-V37 PolarHBondContact NH2-O 2.87Å; P34-V37 HydrophobicContact CG-CB 4.07Å; P34-V37 HydrophobicContact CG-CG2 3.75Å; P34-V37 PolarHBondContact O-N 3.38Å; V37-Q41 HydrophobicContact CG1-CB 3.93Å; V37-H42 HydrophobicContact CG1-CB 4.43Å |
| 38 | S | 74.1 | Confident | 71.4 | Confident | 45 Ų | 45 | 80.7 Ų | 80.7 | 32% | 0.315 | 47% | 0.47 | S | S | . | . | trans | -67.1 | 143.5 | 174.3 | 74.1 | 0 | 0 | 0 | 0 | 110.6 | R40 Q41 H42 | S38-R40 PolarHBondContact O-N 3.38Å; S38-R40 VanDerWaalsContact O-N 3.15Å; S38-Q41 PolarHBondContact O-N 2.83Å; S38-Q41 VanDerWaalsContact O-N 3.16Å; S38-Q41 WeakPolarHBondContact OG-CB 3.46Å; S38-Q41 VanDerWaalsContact OG-CG 3.24Å; S38-Q41 WeakPolarHBondContact OG-CG 3.32Å; S38-Q41 PolarHBondContact OG-N 3.21Å; S38-Q41 PolarHBondContact OG-OE1 3.03Å; S38-H42 PolarHBondContact O-N 2.93Å | ||
| 39 | S | 66.6 | Low | 72.4 | Confident | 78 Ų | 78 | 81.2 Ų | 81.2 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -55.2 | -33.6 | 179.4 | 49 | 0 | 0 | 0 | 0 | 112.6 | S43 | S39-S43 PolarHBondContact O-N 3.49Å; S39-S43 VanDerWaalsContact O-N 3.13Å; S39-S43 PolarHBondContact O-OG 3.5Å |
| 40 | R | 73.3 | Confident | 73 | Confident | 175 Ų | 175 | 83.7 Ų | 83.7 | 66% | 0.66 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.9 | -45.7 | 177.7 | -176.9 | 175.5 | 177.1 | 175.2 | 2.1 | 113.1 | S38 H42 S43 E44 | S38-R40 PolarHBondContact O-N 3.38Å; S38-R40 VanDerWaalsContact O-N 3.15Å; R40-H42 VanDerWaalsContact C-N 3.31Å; R40-H42 PolarHBondContact O-N 3.47Å; R40-S43 PolarHBondContact O-N 2.89Å; R40-S43 PolarHBondContact O-OG 3.45Å; R40-S43 VanDerWaalsContact O-OG 3.06Å; R40-E44 WeakPolarHBondContact CG-OE1 3.43Å; R40-E44 IonicContact CZ-OE1 2.78Å; R40-E44 IonicContact NE-OE1 3.48Å; R40-E44 PolarHBondContact NE-OE1 3.27Å; R40-E44 IonicContact NH2-OE1 3.76Å; R40-E44 WeakPolarHBondContact O-CB 3.42Å; R40-E44 VanDerWaalsContact O-CG 3.29Å; R40-E44 WeakPolarHBondContact O-CG 3.48Å; R40-E44 PolarHBondContact O-N 2.98Å |
| 41 | Q | 76.2 | Confident | 73.7 | Confident | 117 Ų | 117 | 86.6 Ų | 86.6 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.4 | -35.9 | 178.8 | -74 | 163.4 | -27.1 | 0 | 0 | 111.9 | V37 S38 A45 | V37-Q41 HydrophobicContact CG1-CB 3.93Å; S38-Q41 PolarHBondContact O-N 2.83Å; S38-Q41 VanDerWaalsContact O-N 3.16Å; S38-Q41 WeakPolarHBondContact OG-CB 3.46Å; S38-Q41 VanDerWaalsContact OG-CG 3.24Å; S38-Q41 WeakPolarHBondContact OG-CG 3.32Å; S38-Q41 PolarHBondContact OG-N 3.21Å; S38-Q41 PolarHBondContact OG-OE1 3.03Å; Q41-A45 WeakPolarHBondContact O-CB 3.27Å; Q41-A45 PolarHBondContact O-N 3.41Å |
| 42 | H | 77.3 | Confident | 74.8 | Confident | 25 Ų | 25 | 88.1 Ų | 88.1 | 12% | 0.116 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 176.4 | -175.2 | 64 | 0 | 0 | 0 | 112.4 | V29 S32 V37 S38 R40 A45 L46 | V29-H42 PolarHBondContact O-CD2 3.46Å; V29-H42 PolarHBondContact O-NE2 2.98Å; S32-H42 PolarHBondContact O-CE1 3.36Å; S32-H42 PolarHBondContact O-NE2 3.07Å; S32-H42 PolarHBondContact OG-NE2 3.41Å; V37-H42 HydrophobicContact CG1-CB 4.43Å; S38-H42 PolarHBondContact O-N 2.93Å; R40-H42 VanDerWaalsContact C-N 3.31Å; R40-H42 PolarHBondContact O-N 3.47Å; H42-A45 PolarHBondContact O-N 3.23Å; H42-L46 WeakPolarHBondContact NE2-CD1 3.3Å; H42-L46 WeakPolarHBondContact O-CG 3.36Å; H42-L46 PolarHBondContact O-N 3.12Å; H42-L46 VanDerWaalsContact O-N 3.1Å |
| 43 | S | 75.3 | Confident | 75.4 | Confident | 57 Ų | 57 | 90.1 Ų | 90.1 | 40% | 0.399 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.3 | -36.2 | 178.1 | 63.3 | 0 | 0 | 0 | 0 | 112.8 | S39 R40 G47 | S39-S43 PolarHBondContact O-N 3.49Å; S39-S43 VanDerWaalsContact O-N 3.13Å; S39-S43 PolarHBondContact O-OG 3.5Å; R40-S43 PolarHBondContact O-N 2.89Å; R40-S43 PolarHBondContact O-OG 3.45Å; R40-S43 VanDerWaalsContact O-OG 3.06Å; S43-G47 PolarHBondContact O-N 2.99Å |
| 44 | E | 82.1 | Confident | 75.8 | Confident | 96 Ų | 96 | 88.2 Ų | 88.2 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 174.8 | -75.6 | 171.9 | -174.1 | 0 | 0 | 111.8 | R40 G47 C48 | R40-E44 WeakPolarHBondContact CG-OE1 3.43Å; R40-E44 IonicContact CZ-OE1 2.78Å; R40-E44 IonicContact NE-OE1 3.48Å; R40-E44 PolarHBondContact NE-OE1 3.27Å; R40-E44 IonicContact NH2-OE1 3.76Å; R40-E44 WeakPolarHBondContact O-CB 3.42Å; R40-E44 VanDerWaalsContact O-CG 3.29Å; R40-E44 WeakPolarHBondContact O-CG 3.48Å; R40-E44 PolarHBondContact O-N 2.98Å; E44-G47 PolarHBondContact O-N 3.42Å; E44-C48 PolarHBondContact O-N 3.44Å; E44-C48 PolarHBondContact O-SG 3.42Å; E44-C48 VanDerWaalsContact O-SG 3.39Å |
| 45 | A | 82.4 | Confident | 76.5 | Confident | 56 Ų | 56 | 86.9 Ų | 86.9 | 46% | 0.463 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q41 H42 C48 T49 | Q41-A45 WeakPolarHBondContact O-CB 3.27Å; Q41-A45 PolarHBondContact O-N 3.41Å; H42-A45 PolarHBondContact O-N 3.23Å; A45-C48 PolarHBondContact O-N 3Å; A45-T49 PolarHBondContact O-N 3.19Å; A45-T49 VanDerWaalsContact O-N 3.1Å; A45-T49 PolarHBondContact O-OG1 3.34Å |
| 46 | L | 77.6 | Confident | 77.7 | Confident | 63 Ų | 63 | 82 Ų | 82 | 33% | 0.33 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 173.7 | -76.2 | 168.5 | 0 | 0 | 0 | 111.6 | V29 H42 C48 T49 L50 | V29-L46 HydrophobicContact CG1-CD1 4.17Å; V29-L46 HydrophobicContact CG2-CD1 4.16Å; H42-L46 WeakPolarHBondContact NE2-CD1 3.3Å; H42-L46 WeakPolarHBondContact O-CG 3.36Å; H42-L46 PolarHBondContact O-N 3.12Å; H42-L46 VanDerWaalsContact O-N 3.1Å; L46-C48 VanDerWaalsContact C-N 3.32Å; L46-C48 PolarHBondContact O-N 2.98Å; L46-T49 PolarHBondContact O-N 3.02Å; L46-T49 VanDerWaalsContact O-N 3.17Å; L46-L50 PolarHBondContact O-N 2.96Å |
| 47 | G | 79.3 | Confident | 77.7 | Confident | 21 Ų | 21 | 85.5 Ų | 85.5 | 22% | 0.216 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S43 E44 R51 | S43-G47 PolarHBondContact O-N 2.99Å; E44-G47 PolarHBondContact O-N 3.42Å; G47-R51 PolarHBondContact O-N 2.99Å; G47-R51 VanDerWaalsContact O-N 3.16Å |
| 48 | C | 80 | Confident | 78.2 | Confident | 61 Ų | 61 | 91.3 Ų | 91.3 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.6 | -36 | 174.5 | -74.3 | 0 | 0 | 0 | 0 | 113 | E44 A45 L46 R52 | E44-C48 PolarHBondContact O-N 3.44Å; E44-C48 PolarHBondContact O-SG 3.42Å; E44-C48 VanDerWaalsContact O-SG 3.39Å; A45-C48 PolarHBondContact O-N 3Å; L46-C48 VanDerWaalsContact C-N 3.32Å; L46-C48 PolarHBondContact O-N 2.98Å; C48-R52 WeakPolarHBondContact O-CG 3.31Å; C48-R52 PolarHBondContact O-N 3.21Å |
| 49 | T | 82.1 | Confident | 79 | Confident | 70 Ų | 70 | 95.7 Ų | 95.7 | 43% | 0.429 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.7 | -42.4 | 178.8 | -52.2 | 0 | 0 | 0 | 0 | 111.5 | A45 L46 R52 Q53 | A45-T49 PolarHBondContact O-N 3.19Å; A45-T49 VanDerWaalsContact O-N 3.1Å; A45-T49 PolarHBondContact O-OG1 3.34Å; L46-T49 PolarHBondContact O-N 3.02Å; L46-T49 VanDerWaalsContact O-N 3.17Å; T49-R52 PolarHBondContact O-N 3.34Å; T49-Q53 PolarHBondContact O-N 2.92Å; T49-Q53 VanDerWaalsContact O-N 3.14Å |
| 50 | L | 78.4 | Confident | 79.9 | Confident | 99 Ų | 99 | 98.8 Ų | 98.8 | 52% | 0.518 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.4 | -74 | 172.2 | 0 | 0 | 0 | 112 | L46 R52 Q53 D54 | L46-L50 PolarHBondContact O-N 2.96Å; L50-R52 PolarHBondContact O-N 3Å; L50-Q53 PolarHBondContact O-N 3.48Å; L50-D54 WeakPolarHBondContact O-CB 3.46Å; L50-D54 PolarHBondContact O-N 3.43Å |
| 51 | R | 79.2 | Confident | 80.5 | Confident | 167 Ų | 167 | 93.1 Ų | 93.1 | 63% | 0.63 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -57.4 | -36.4 | 176.5 | -81.2 | -172.2 | -78.1 | -102.8 | 0.7 | 113.1 | G47 G55 | G47-R51 PolarHBondContact O-N 2.99Å; G47-R51 VanDerWaalsContact O-N 3.16Å; R51-G55 PolarHBondContact O-N 3.23Å; R51-G55 VanDerWaalsContact O-N 3.16Å |
| 52 | R | 80.5 | Confident | 81.1 | Confident | 200 Ų | 200 | 92.5 Ų | 92.5 | 76% | 0.755 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.3 | -41 | 175.8 | -71.7 | 176.5 | -179.7 | 178.8 | 0.4 | 112 | C48 T49 L50 A56 | C48-R52 WeakPolarHBondContact O-CG 3.31Å; C48-R52 PolarHBondContact O-N 3.21Å; T49-R52 PolarHBondContact O-N 3.34Å; L50-R52 PolarHBondContact O-N 3Å; R52-A56 PolarHBondContact O-N 3.16Å |
| 53 | Q | 77.4 | Confident | 81.7 | Confident | 102 Ų | 102 | 93.5 Ų | 93.5 | 48% | 0.477 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.3 | -40.6 | 178.1 | -68.1 | -178.5 | 8.1 | 0 | 0 | 112 | T49 L50 G55 A56 W57 | T49-Q53 PolarHBondContact O-N 2.92Å; T49-Q53 VanDerWaalsContact O-N 3.14Å; L50-Q53 PolarHBondContact O-N 3.48Å; Q53-G55 VanDerWaalsContact C-N 3.31Å; Q53-G55 PolarHBondContact O-N 3.42Å; Q53-A56 PolarHBondContact O-N 3.19Å; Q53-W57 PolarHBondContact O-N 3.05Å |
| 54 | D | 79.6 | Confident | 82.4 | Confident | 93 Ų | 93 | 95.7 Ų | 95.7 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 175.8 | -77.6 | -11.8 | 0 | 0 | 0 | 112 | L50 W57 R58 | L50-D54 WeakPolarHBondContact O-CB 3.46Å; L50-D54 PolarHBondContact O-N 3.43Å; D54-W57 PolarHBondContact O-N 3.14Å; D54-R58 VanDerWaalsContact O-CB 3.31Å; D54-R58 WeakPolarHBondContact O-CB 3.36Å; D54-R58 PolarHBondContact O-N 3.25Å |
| 55 | G | 82.6 | Confident | 82.7 | Confident | 28 Ų | 28 | 97.4 Ų | 97.4 | 29% | 0.289 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.4 | -49.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R51 Q53 W57 R58 E59 | R51-G55 PolarHBondContact O-N 3.23Å; R51-G55 VanDerWaalsContact O-N 3.16Å; Q53-G55 VanDerWaalsContact C-N 3.31Å; Q53-G55 PolarHBondContact O-N 3.42Å; G55-W57 PolarHBondContact O-N 3.3Å; G55-R58 PolarHBondContact O-N 3.09Å; G55-E59 WeakPolarHBondContact O-CG 3.47Å; G55-E59 PolarHBondContact O-N 3.19Å |
| 56 | A | 84.5 | Confident | 83.1 | Confident | 34 Ų | 34 | 101.3 Ų | 101.3 | 28% | 0.281 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -37.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R52 Q53 R60 | R52-A56 PolarHBondContact O-N 3.16Å; Q53-A56 PolarHBondContact O-N 3.19Å; A56-R60 WeakPolarHBondContact O-CG 3.49Å; A56-R60 PolarHBondContact O-N 2.82Å |
| 57 | W | 72.2 | Confident | 83.8 | Confident | 160 Ų | 160 | 103.4 Ų | 103.4 | 61% | 0.606 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.1 | -37.5 | 174.6 | -75.1 | 116.6 | 0 | 0 | 0 | 112.3 | Q53 D54 G55 R60 A61 | Q53-W57 PolarHBondContact O-N 3.05Å; D54-W57 PolarHBondContact O-N 3.14Å; G55-W57 PolarHBondContact O-N 3.3Å; W57-R60 PolarHBondContact O-N 3.16Å; W57-A61 WeakPolarHBondContact O-CB 3.38Å; W57-A61 PolarHBondContact O-N 3.22Å |
| 58 | R | 82.5 | Confident | 84.5 | Confident | 171 Ų | 171 | 106 Ų | 106 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 177.3 | -169.5 | 178.2 | -66.2 | 177.9 | -0.9 | 111.7 | D54 G55 A61 Q62 | D54-R58 VanDerWaalsContact O-CB 3.31Å; D54-R58 WeakPolarHBondContact O-CB 3.36Å; D54-R58 PolarHBondContact O-N 3.25Å; G55-R58 PolarHBondContact O-N 3.09Å; R58-A61 PolarHBondContact O-N 2.98Å; R58-Q62 WeakPolarHBondContact O-CG 3.38Å; R58-Q62 PolarHBondContact O-N 3.28Å |
| 59 | E | 89.4 | Confident | 84.9 | Confident | 137 Ų | 137 | 107.3 Ų | 107.3 | 64% | 0.64 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.3 | -43.6 | 175 | -73.2 | 170.6 | -169.7 | 0 | 0 | 111.8 | G55 Q62 A63 | G55-E59 WeakPolarHBondContact O-CG 3.47Å; G55-E59 PolarHBondContact O-N 3.19Å; E59-Q62 PolarHBondContact O-N 3.35Å; E59-A63 PolarHBondContact O-N 2.88Å |
| 60 | R | 85.9 | Confident | 85.4 | Confident | 142 Ų | 142 | 110.7 Ų | 110.7 | 54% | 0.536 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 176.1 | -72.6 | 177.6 | -173 | 140.3 | 3 | 113.1 | A56 W57 Q62 A63 L64 | A56-R60 WeakPolarHBondContact O-CG 3.49Å; A56-R60 PolarHBondContact O-N 2.82Å; W57-R60 PolarHBondContact O-N 3.16Å; R60-Q62 VanDerWaalsContact C-N 3.31Å; R60-A63 PolarHBondContact O-N 3.1Å; R60-L64 WeakPolarHBondContact O-CB 3.46Å; R60-L64 WeakPolarHBondContact O-CG 3.43Å; R60-L64 PolarHBondContact O-N 3.17Å |
| 61 | A | 85.2 | Confident | 86 | Confident | 56 Ų | 56 | 110.3 Ų | 110.3 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | W57 R58 Q65 | W57-A61 WeakPolarHBondContact O-CB 3.38Å; W57-A61 PolarHBondContact O-N 3.22Å; R58-A61 PolarHBondContact O-N 2.98Å; A61-Q65 WeakPolarHBondContact O-CB 3.36Å; A61-Q65 PolarHBondContact O-N 3.39Å |
| 62 | Q | 89 | Confident | 86.3 | Confident | 105 Ų | 105 | 107.5 Ų | 107.5 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.6 | -47.6 | 175.1 | -73.9 | 174.9 | -22.6 | 0 | 0 | 111.8 | R58 E59 R60 L64 Q65 E66 | R58-Q62 WeakPolarHBondContact O-CG 3.38Å; R58-Q62 PolarHBondContact O-N 3.28Å; E59-Q62 PolarHBondContact O-N 3.35Å; R60-Q62 VanDerWaalsContact C-N 3.31Å; Q62-L64 PolarHBondContact O-N 3.41Å; Q62-Q65 WeakPolarHBondContact O-CB 3.31Å; Q62-Q65 PolarHBondContact O-N 2.87Å; Q62-Q65 VanDerWaalsContact O-N 3.12Å; Q62-E66 WeakPolarHBondContact O-CG 3.42Å; Q62-E66 PolarHBondContact O-N 2.94Å |
| 63 | A | 90.3 | Very high | 86.7 | Confident | 45 Ų | 45 | 104.1 Ų | 104.1 | 37% | 0.372 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E59 R60 Q65 E66 E67 | E59-A63 PolarHBondContact O-N 2.88Å; R60-A63 PolarHBondContact O-N 3.1Å; A63-Q65 VanDerWaalsContact C-N 3.3Å; A63-Q65 PolarHBondContact O-N 3.14Å; A63-E66 PolarHBondContact O-N 3.05Å; A63-E67 WeakPolarHBondContact O-CG 3.27Å; A63-E67 PolarHBondContact O-N 3.4Å |
| 64 | L | 90.4 | Very high | 87.3 | Confident | 104 Ų | 104 | 103.6 Ų | 103.6 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -35.9 | 175.9 | -75.4 | 170.3 | 0 | 0 | 0 | 112.3 | R60 Q62 E67 V68 | R60-L64 WeakPolarHBondContact O-CB 3.46Å; R60-L64 WeakPolarHBondContact O-CG 3.43Å; R60-L64 PolarHBondContact O-N 3.17Å; Q62-L64 PolarHBondContact O-N 3.41Å; L64-E67 PolarHBondContact O-N 2.8Å; L64-V68 VanDerWaalsContact O-CG2 3.3Å; L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 3.4Å |
| 65 | Q | 87.7 | Confident | 87.7 | Confident | 131 Ų | 131 | 104.8 Ų | 104.8 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -39.6 | 176.8 | -172.3 | 165.6 | -1.8 | 0 | 0 | 111.5 | A61 Q62 A63 V68 L69 | A61-Q65 WeakPolarHBondContact O-CB 3.36Å; A61-Q65 PolarHBondContact O-N 3.39Å; Q62-Q65 WeakPolarHBondContact O-CB 3.31Å; Q62-Q65 PolarHBondContact O-N 2.87Å; Q62-Q65 VanDerWaalsContact O-N 3.12Å; A63-Q65 VanDerWaalsContact C-N 3.3Å; A63-Q65 PolarHBondContact O-N 3.14Å; Q65-V68 PolarHBondContact O-N 2.97Å; Q65-L69 VanDerWaalsContact O-CG 3.31Å; Q65-L69 WeakPolarHBondContact O-CG 3.36Å; Q65-L69 PolarHBondContact O-N 3.33Å |
| 66 | E | 92.3 | Very high | 87.9 | Confident | 139 Ų | 139 | 109.1 Ų | 109.1 | 65% | 0.65 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | 172.8 | -69.8 | 174.3 | -174.9 | 0 | 0 | 111.6 | Q62 A63 L69 R70 | Q62-E66 WeakPolarHBondContact O-CG 3.42Å; Q62-E66 PolarHBondContact O-N 2.94Å; A63-E66 PolarHBondContact O-N 3.05Å; E66-L69 PolarHBondContact O-N 2.92Å; E66-R70 WeakPolarHBondContact O-CB 3.36Å; E66-R70 PolarHBondContact O-N 3.17Å |
| 67 | E | 91.9 | Very high | 87.9 | Confident | 107 Ų | 107 | 112 Ų | 112 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 176 | -72.8 | -177 | 171.3 | 0 | 0 | 113 | A63 L64 L69 R70 L71 | A63-E67 WeakPolarHBondContact O-CG 3.27Å; A63-E67 PolarHBondContact O-N 3.4Å; L64-E67 PolarHBondContact O-N 2.8Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.1Å; E67-R70 WeakPolarHBondContact O-CB 3.5Å; E67-R70 PolarHBondContact O-N 3.49Å; E67-L71 WeakPolarHBondContact O-CB 3.22Å; E67-L71 WeakPolarHBondContact O-CG 3.42Å; E67-L71 PolarHBondContact O-N 3.3Å |
| 68 | V | 92.6 | Very high | 88.3 | Confident | 74 Ų | 74 | 106.5 Ų | 106.5 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 175.9 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | L64 Q65 R70 L71 Q72 | L64-V68 VanDerWaalsContact O-CG2 3.3Å; L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 3.4Å; Q65-V68 PolarHBondContact O-N 2.97Å; V68-R70 VanDerWaalsContact C-N 3.3Å; V68-R70 PolarHBondContact O-N 3.04Å; V68-L71 PolarHBondContact O-N 2.75Å; V68-Q72 HydrophobicContact CG1-CG 4.37Å; V68-Q72 WeakPolarHBondContact O-CB 3.49Å; V68-Q72 VanDerWaalsContact O-CG 3.27Å; V68-Q72 WeakPolarHBondContact O-CG 3.27Å; V68-Q72 PolarHBondContact O-N 3.45Å |
| 69 | L | 89 | Confident | 88.2 | Confident | 90 Ų | 90 | 106.6 Ų | 106.6 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 176.3 | -70.3 | 173.4 | 0 | 0 | 0 | 111.3 | Q65 E66 E67 Q73 | Q65-L69 VanDerWaalsContact O-CG 3.31Å; Q65-L69 WeakPolarHBondContact O-CG 3.36Å; Q65-L69 PolarHBondContact O-N 3.33Å; E66-L69 PolarHBondContact O-N 2.92Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.1Å; L69-Q73 VanDerWaalsContact O-CG 3.32Å; L69-Q73 WeakPolarHBondContact O-CG 3.21Å; L69-Q73 PolarHBondContact O-N 2.92Å |
| 70 | R | 93.4 | Very high | 87.5 | Confident | 141 Ų | 141 | 102.9 Ų | 102.9 | 53% | 0.532 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 175.1 | -159.6 | -168.2 | 99.9 | -173.2 | 3.6 | 111.9 | E66 E67 V68 Q72 Q73 E74 | E66-R70 WeakPolarHBondContact O-CB 3.36Å; E66-R70 PolarHBondContact O-N 3.17Å; E67-R70 WeakPolarHBondContact O-CB 3.5Å; E67-R70 PolarHBondContact O-N 3.49Å; V68-R70 VanDerWaalsContact C-N 3.3Å; V68-R70 PolarHBondContact O-N 3.04Å; R70-Q72 PolarHBondContact O-N 3.47Å; R70-Q73 WeakPolarHBondContact O-CB 3.48Å; R70-Q73 PolarHBondContact O-N 3.42Å; R70-E74 IonicContact CZ-OE1 3.1Å; R70-E74 IonicContact NE-OE1 2.76Å; R70-E74 PolarHBondContact NE-OE1 3.17Å; R70-E74 IonicContact NH2-OE1 3.4Å; R70-E74 PolarHBondContact NH2-OE1 3.3Å; R70-E74 IonicContact NH2-OE2 3.69Å; R70-E74 WeakPolarHBondContact O-CG 3.32Å; R70-E74 PolarHBondContact O-N 2.95Å |
| 71 | L | 91.5 | Very high | 86.9 | Confident | 91 Ų | 91 | 99.2 Ų | 99.2 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.8 | -35.9 | 179.6 | -72.3 | 171.5 | 0 | 0 | 0 | 112.4 | E67 V68 Q73 E74 L75 | E67-L71 WeakPolarHBondContact O-CB 3.22Å; E67-L71 WeakPolarHBondContact O-CG 3.42Å; E67-L71 PolarHBondContact O-N 3.3Å; V68-L71 PolarHBondContact O-N 2.75Å; L71-Q73 VanDerWaalsContact C-N 3.35Å; L71-E74 PolarHBondContact O-N 3.34Å; L71-L75 WeakPolarHBondContact O-CB 3.24Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 3.35Å |
| 72 | Q | 84.9 | Confident | 85.9 | Confident | 107 Ų | 107 | 101.1 Ų | 101.1 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 172.4 | -77.1 | 179 | -5.6 | 0 | 0 | 111.5 | V68 R70 L75 L76 | V68-Q72 HydrophobicContact CG1-CG 4.37Å; V68-Q72 WeakPolarHBondContact O-CB 3.49Å; V68-Q72 VanDerWaalsContact O-CG 3.27Å; V68-Q72 WeakPolarHBondContact O-CG 3.27Å; V68-Q72 PolarHBondContact O-N 3.45Å; R70-Q72 PolarHBondContact O-N 3.47Å; Q72-L75 PolarHBondContact O-N 2.98Å; Q72-L76 WeakPolarHBondContact O-CB 3.46Å; Q72-L76 VanDerWaalsContact O-CG 3.24Å; Q72-L76 WeakPolarHBondContact O-CG 3.42Å; Q72-L76 PolarHBondContact O-N 3.16Å |
| 73 | Q | 88.4 | Confident | 84.4 | Confident | 130 Ų | 130 | 100.8 Ų | 100.8 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 173.5 | -73.5 | 174.4 | 3.2 | 0 | 0 | 111.5 | L69 R70 L71 L75 L76 V77 | L69-Q73 VanDerWaalsContact O-CG 3.32Å; L69-Q73 WeakPolarHBondContact O-CG 3.21Å; L69-Q73 PolarHBondContact O-N 2.92Å; R70-Q73 WeakPolarHBondContact O-CB 3.48Å; R70-Q73 PolarHBondContact O-N 3.42Å; L71-Q73 VanDerWaalsContact C-N 3.35Å; Q73-L75 PolarHBondContact O-N 3.4Å; Q73-L76 PolarHBondContact O-N 3Å; Q73-V77 VanDerWaalsContact O-CG2 3.3Å; Q73-V77 WeakPolarHBondContact O-CG2 3.29Å; Q73-V77 PolarHBondContact O-N 2.74Å |
| 74 | E | 90.3 | Very high | 82.9 | Confident | 91 Ų | 91 | 103 Ų | 103 | 43% | 0.425 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.3 | -74.8 | 174.5 | -161.2 | 0 | 0 | 112.1 | R70 L71 V77 S78 | R70-E74 IonicContact CZ-OE1 3.1Å; R70-E74 IonicContact NE-OE1 2.76Å; R70-E74 PolarHBondContact NE-OE1 3.17Å; R70-E74 IonicContact NH2-OE1 3.4Å; R70-E74 PolarHBondContact NH2-OE1 3.3Å; R70-E74 IonicContact NH2-OE2 3.69Å; R70-E74 WeakPolarHBondContact O-CG 3.32Å; R70-E74 PolarHBondContact O-N 2.95Å; L71-E74 PolarHBondContact O-N 3.34Å; E74-V77 PolarHBondContact O-N 2.96Å; E74-S78 WeakPolarHBondContact O-CB 3.34Å; E74-S78 PolarHBondContact O-N 3.49Å; E74-S78 PolarHBondContact O-OG 3.45Å |
| 75 | L | 87.3 | Confident | 81.1 | Confident | 117 Ų | 117 | 103.7 Ų | 103.7 | 61% | 0.613 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.3 | -37.4 | 175.9 | -81.5 | 171 | 0 | 0 | 0 | 113.3 | L71 Q72 Q73 V77 S78 R79 | L71-L75 WeakPolarHBondContact O-CB 3.24Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 3.35Å; Q72-L75 PolarHBondContact O-N 2.98Å; Q73-L75 PolarHBondContact O-N 3.4Å; L75-V77 VanDerWaalsContact C-N 3.33Å; L75-S78 WeakPolarHBondContact CA-OG 3.45Å; L75-S78 PolarHBondContact O-OG 3.13Å; L75-S78 VanDerWaalsContact O-OG 3.06Å; L75-R79 VanDerWaalsContact O-CB 3.23Å; L75-R79 WeakPolarHBondContact O-CB 3.28Å; L75-R79 PolarHBondContact O-N 3.38Å |
| 76 | L | 86.7 | Confident | 79.3 | Confident | 120 Ų | 120 | 100 Ų | 100 | 63% | 0.628 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -40 | 175.3 | -75.5 | 170.2 | 0 | 0 | 0 | 110.9 | Q72 Q73 A80 | Q72-L76 WeakPolarHBondContact O-CB 3.46Å; Q72-L76 VanDerWaalsContact O-CG 3.24Å; Q72-L76 WeakPolarHBondContact O-CG 3.42Å; Q72-L76 PolarHBondContact O-N 3.16Å; Q73-L76 PolarHBondContact O-N 3Å; L76-A80 WeakPolarHBondContact O-CB 3.3Å; L76-A80 PolarHBondContact O-N 3.46Å |
| 77 | V | 85.9 | Confident | 76.8 | Confident | 93 Ų | 93 | 97.3 Ų | 97.3 | 56% | 0.564 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.4 | -46.3 | 175.3 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | Q73 E74 L75 R79 A80 T81 | Q73-V77 VanDerWaalsContact O-CG2 3.3Å; Q73-V77 WeakPolarHBondContact O-CG2 3.29Å; Q73-V77 PolarHBondContact O-N 2.74Å; E74-V77 PolarHBondContact O-N 2.96Å; L75-V77 VanDerWaalsContact C-N 3.33Å; V77-R79 VanDerWaalsContact C-N 3.35Å; V77-R79 PolarHBondContact O-N 3.45Å; V77-A80 PolarHBondContact O-N 3.15Å; V77-T81 WeakPolarHBondContact O-CG2 3.49Å; V77-T81 PolarHBondContact O-N 3Å; V77-T81 PolarHBondContact O-OG1 3.3Å; V77-T81 VanDerWaalsContact O-OG1 3.12Å |
| 78 | S | 79.4 | Confident | 74.5 | Confident | 46 Ų | 46 | 103.5 Ų | 103.5 | 32% | 0.322 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 179.1 | 73 | 0 | 0 | 0 | 0 | 111.7 | E74 L75 A80 T81 D82 | E74-S78 WeakPolarHBondContact O-CB 3.34Å; E74-S78 PolarHBondContact O-N 3.49Å; E74-S78 PolarHBondContact O-OG 3.45Å; L75-S78 WeakPolarHBondContact CA-OG 3.45Å; L75-S78 PolarHBondContact O-OG 3.13Å; L75-S78 VanDerWaalsContact O-OG 3.06Å; S78-A80 PolarHBondContact O-N 3.25Å; S78-T81 WeakPolarHBondContact CA-OG1 3.42Å; S78-T81 PolarHBondContact O-N 3.06Å; S78-T81 PolarHBondContact O-OG1 3.16Å; S78-D82 WeakPolarHBondContact O-CB 3.5Å; S78-D82 PolarHBondContact O-N 2.96Å |
| 79 | R | 80.7 | Confident | 72.3 | Confident | 173 Ų | 173 | 108.1 Ų | 108.1 | 65% | 0.653 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.2 | -42.3 | 175.5 | -174.4 | 175.7 | -176.1 | 169.2 | 3.8 | 112.3 | L75 V77 T81 D82 D83 | L75-R79 VanDerWaalsContact O-CB 3.23Å; L75-R79 WeakPolarHBondContact O-CB 3.28Å; L75-R79 PolarHBondContact O-N 3.38Å; V77-R79 VanDerWaalsContact C-N 3.35Å; V77-R79 PolarHBondContact O-N 3.45Å; R79-T81 VanDerWaalsContact C-N 3.28Å; R79-T81 PolarHBondContact O-N 3.18Å; R79-D82 PolarHBondContact O-N 2.91Å; R79-D83 WeakPolarHBondContact O-CB 3.35Å; R79-D83 PolarHBondContact O-N 3.36Å |
| 80 | A | 75.3 | Confident | 69.9 | Low | 58 Ų | 58 | 109.7 Ų | 109.7 | 48% | 0.479 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.4 | -32.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L76 V77 S78 T84 | L76-A80 WeakPolarHBondContact O-CB 3.3Å; L76-A80 PolarHBondContact O-N 3.46Å; V77-A80 PolarHBondContact O-N 3.15Å; S78-A80 PolarHBondContact O-N 3.25Å; A80-T84 PolarHBondContact O-N 3.32Å; A80-T84 PolarHBondContact O-OG1 2.88Å; A80-T84 VanDerWaalsContact O-OG1 3.11Å |
| 81 | T | 72.5 | Confident | 67.2 | Low | 65 Ų | 65 | 108 Ų | 108 | 40% | 0.399 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -78.7 | -29.9 | 174.8 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | V77 S78 R79 T84 N85 | V77-T81 WeakPolarHBondContact O-CG2 3.49Å; V77-T81 PolarHBondContact O-N 3Å; V77-T81 PolarHBondContact O-OG1 3.3Å; V77-T81 VanDerWaalsContact O-OG1 3.12Å; S78-T81 WeakPolarHBondContact CA-OG1 3.42Å; S78-T81 PolarHBondContact O-N 3.06Å; S78-T81 PolarHBondContact O-OG1 3.16Å; R79-T81 VanDerWaalsContact C-N 3.28Å; R79-T81 PolarHBondContact O-N 3.18Å; T81-T84 VanDerWaalsContact CA-OG1 3.32Å; T81-T84 WeakPolarHBondContact CA-OG1 3.43Å; T81-T84 PolarHBondContact O-OG1 3.2Å; T81-N85 WeakPolarHBondContact O-CB 2.92Å; T81-N85 PolarHBondContact O-N 3.38Å; T81-N85 PolarHBondContact O-ND2 3.25Å |
| 82 | D | 64.1 | Low | 64.7 | Low | 96 Ų | 96 | 107.8 Ų | 107.8 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.4 | -34.2 | 173.7 | -68.2 | -25.9 | 0 | 0 | 0 | 111.2 | S78 R79 N85 S86 | S78-D82 WeakPolarHBondContact O-CB 3.5Å; S78-D82 PolarHBondContact O-N 2.96Å; R79-D82 PolarHBondContact O-N 2.91Å; D82-N85 PolarHBondContact O-N 2.93Å; D82-S86 VanDerWaalsContact O-CB 3.26Å; D82-S86 WeakPolarHBondContact O-CB 3.23Å; D82-S86 PolarHBondContact O-N 3.1Å; D82-S86 PolarHBondContact O-OG 3.01Å |
| 83 | D | 58.8 | Low | 62.2 | Low | 98 Ų | 98 | 107.9 Ų | 107.9 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.5 | -32.6 | 172.6 | -76 | -22.8 | 0 | 0 | 0 | 111.7 | R79 S86 S87 | R79-D83 WeakPolarHBondContact O-CB 3.35Å; R79-D83 PolarHBondContact O-N 3.36Å; D83-S86 WeakPolarHBondContact CA-OG 3.3Å; D83-S86 PolarHBondContact O-OG 3.39Å; D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 3.42Å |
| 84 | T | 57.4 | Low | 59.5 | Low | 91 Ų | 91 | 105.3 Ų | 105.3 | 56% | 0.558 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -78.3 | -31.3 | 172.1 | 45.8 | 0 | 0 | 0 | 0 | 113.5 | A80 T81 S87 | A80-T84 PolarHBondContact O-N 3.32Å; A80-T84 PolarHBondContact O-OG1 2.88Å; A80-T84 VanDerWaalsContact O-OG1 3.11Å; T81-T84 VanDerWaalsContact CA-OG1 3.32Å; T81-T84 WeakPolarHBondContact CA-OG1 3.43Å; T81-T84 PolarHBondContact O-OG1 3.2Å; T84-S87 WeakPolarHBondContact O-CB 3.5Å |
| 85 | N | 53.9 | Low | 56.8 | Low | 119 Ų | 119 | 109 Ų | 109 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.7 | -35.2 | 174.4 | -78.2 | -18.3 | 0 | 0 | 0 | 113 | T81 D82 S87 W88 | T81-N85 WeakPolarHBondContact O-CB 2.92Å; T81-N85 PolarHBondContact O-N 3.38Å; T81-N85 PolarHBondContact O-ND2 3.25Å; D82-N85 PolarHBondContact O-N 2.93Å; N85-S87 VanDerWaalsContact C-N 3.29Å; N85-S87 PolarHBondContact O-N 3.33Å; N85-W88 PolarHBondContact O-N 3.26Å |
| 86 | S | 48.9 | Very low | 54.1 | Low | 53 Ų | 53 | 113.4 Ų | 113.4 | 37% | 0.371 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -72.1 | -21.5 | 172.6 | 63.2 | 0 | 0 | 0 | 0 | 113 | D82 D83 W88 E89 T90 | D82-S86 VanDerWaalsContact O-CB 3.26Å; D82-S86 WeakPolarHBondContact O-CB 3.23Å; D82-S86 PolarHBondContact O-N 3.1Å; D82-S86 PolarHBondContact O-OG 3.01Å; D83-S86 WeakPolarHBondContact CA-OG 3.3Å; D83-S86 PolarHBondContact O-OG 3.39Å; S86-W88 PolarHBondContact O-N 3.19Å; S86-W88 VanDerWaalsContact O-N 3.12Å; S86-E89 PolarHBondContact O-N 3.02Å; S86-T90 PolarHBondContact O-N 3.36Å |
| 87 | S | 40.3 | Very low | 51.7 | Low | 83 Ų | 83 | 119.2 Ų | 119.2 | 58% | 0.58 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -7.7 | 170.4 | -172.7 | 0 | 0 | 0 | 0 | 113.8 | D83 T84 N85 | D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 3.42Å; T84-S87 WeakPolarHBondContact O-CB 3.5Å; N85-S87 VanDerWaalsContact C-N 3.29Å; N85-S87 PolarHBondContact O-N 3.33Å |
| 88 | W | 43.8 | Very low | 48.9 | Very low | 237 Ų | 237 | 123.8 Ų | 123.8 | 90% | 0.898 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -2.1 | 170.4 | -124.2 | -91 | 0 | 0 | 0 | 114.3 | N85 S86 | N85-W88 PolarHBondContact O-N 3.26Å; S86-W88 PolarHBondContact O-N 3.19Å; S86-W88 VanDerWaalsContact O-N 3.12Å |
| 89 | E | 46.1 | Very low | 46.7 | Very low | 171 Ų | 171 | 124.8 Ų | 124.8 | 80% | 0.799 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | -3.4 | -178.2 | -79 | -170.8 | 161.6 | 0 | 0 | 115.6 | S86 A91 | S86-E89 PolarHBondContact O-N 3.02Å; E89-A91 PolarHBondContact O-N 2.92Å |
| 90 | T | 38 | Very low | 44.1 | Very low | 123 Ų | 123 | 126 Ų | 126 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | trans | -99.7 | 65.3 | 171.8 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | S86 | S86-T90 PolarHBondContact O-N 3.36Š| ||
| 91 | A | 38.1 | Very low | 41.9 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 88% | 0.876 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -121.8 | 38.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | E89 | E89-A91 PolarHBondContact O-N 2.92Š|
| 92 | A | 37.3 | Very low | 39.8 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -158.4 | 134.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 93 | A | 33.3 | Very low | 38.1 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | trans | 76.7 | 98.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 94 | G | 31.6 | Very low | 36.6 | Very low | 76 Ų | 76 | 142.8 Ų | 142.8 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | -89.4 | 175.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 95 | L | 33.9 | Very low | 35.1 | Very low | 170 Ų | 170 | 144 Ų | 144 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | 83.7 | 92.5 | 147.9 | -148.2 | 78.1 | 0 | 0 | 0 | 118.8 | ||||
| 96 | K | 29.8 | Very low | 33.8 | Very low | 209 Ų | 209 | 144.4 Ų | 144.4 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | -162.3 | 122.1 | 111.2 | -118.4 | 172.1 | -179 | 176.1 | 0 | 111.9 | |||||
| 97 | R | 36 | Very low | 32.7 | Very low | 242 Ų | 242 | 146.9 Ų | 146.9 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | trans | -107.3 | 121.3 | 173.1 | -168.2 | -166.1 | -74.1 | 172.3 | -5 | 106.2 | ||||
| 98 | Q | 27.7 | Very low | 32.1 | Very low | 189 Ų | 189 | 151.4 Ų | 151.4 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | trans | -155.5 | 120.3 | 153.3 | -161.7 | 150.2 | -10.2 | 0 | 0 | 109.5 | ||||
| 99 | G | 32.7 | Very low | 31.4 | Very low | 67 Ų | 67 | 148.8 Ų | 148.8 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | trans | -79.9 | 149.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 100 | Q | 26.8 | Very low | 30.5 | Very low | 198 Ų | 198 | 149.4 Ų | 149.4 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | -150.3 | 145.1 | 152.4 | -123.5 | 164.4 | -32.4 | 0 | 0 | 110.1 | ||||
| 101 | R | 28.6 | Very low | 30 | Very low | 228 Ų | 228 | 150.1 Ų | 150.1 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -97.1 | 144.6 | -167.1 | 161.1 | 179.6 | -176.5 | -179.9 | 3.9 | 108.9 | ||||
| 102 | S | 27.8 | Very low | 29.6 | Very low | 93 Ų | 93 | 152.4 Ų | 152.4 | 65% | 0.65 | 83% | 0.828 | S | S | * | * | trans | 79.4 | 135.9 | 154.3 | -69.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 103 | D | 28.3 | Very low | 29.1 | Very low | 156 Ų | 156 | 152.9 Ų | 152.9 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | trans | 90 | 83.7 | 152.3 | -56 | -13.7 | 0 | 0 | 0 | 118.7 | ||||
| 104 | E | 27.7 | Very low | 29.1 | Very low | 192 Ų | 192 | 150.9 Ų | 150.9 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | -114.8 | 104.5 | 151.6 | -108.4 | 176.8 | 142.9 | 0 | 0 | 109.4 | V106 | E104-V106 PolarHBondContact O-N 2.86Š| ||
| 105 | S | 25.5 | Very low | 29.1 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -63.8 | 106.4 | 168.3 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | S107 | S105-S107 PolarHBondContact O-N 3.42Š| ||
| 106 | V | 28 | Very low | 29.1 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -77.5 | 107 | 165.3 | 176.6 | 0 | 0 | 0 | 0 | 107.9 | E104 E108 | E104-V106 PolarHBondContact O-N 2.86Å; V106-E108 PolarHBondContact O-N 2.99Å; V106-E108 VanDerWaalsContact O-N 3.14Å | ||
| 107 | S | 26.2 | Very low | 29.3 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -69.4 | 100.4 | 167 | -172.2 | 0 | 0 | 0 | 0 | 108.3 | S105 Q109 | S105-S107 PolarHBondContact O-N 3.42Å; S107-Q109 PolarHBondContact O-N 3.32Å; S107-Q109 VanDerWaalsContact O-N 3.09Å | ||
| 108 | E | 27.9 | Very low | 29.6 | Very low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -67.4 | 99.4 | 162.4 | -73.5 | -178.2 | 143.2 | 0 | 0 | 107.9 | V106 Q110 | V106-E108 PolarHBondContact O-N 2.99Å; V106-E108 VanDerWaalsContact O-N 3.14Å; E108-Q110 PolarHBondContact O-N 3.34Å | ||
| 109 | Q | 27.4 | Very low | 30.4 | Very low | 182 Ų | 182 | 134 Ų | 134 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -66.4 | 90.2 | 164.6 | -91.1 | 171.7 | -36.5 | 0 | 0 | 108.7 | S107 T111 | S107-Q109 PolarHBondContact O-N 3.32Å; S107-Q109 VanDerWaalsContact O-N 3.09Å; Q109-T111 PolarHBondContact O-N 3.45Å | ||
| 110 | Q | 28.3 | Very low | 30.9 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -64.2 | 107.2 | 166.9 | -155 | 161 | 32.2 | 0 | 0 | 107.7 | E108 D112 | E108-Q110 PolarHBondContact O-N 3.34Å; Q110-D112 PolarHBondContact O-N 2.93Å | ||
| 111 | T | 27.5 | Very low | 31.6 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | -62.9 | 98.3 | 168.9 | 40.4 | 0 | 0 | 0 | 0 | 108.9 | Q109 S113 | Q109-T111 PolarHBondContact O-N 3.45Å; T111-S113 VanDerWaalsContact C-N 3.31Å; T111-S113 PolarHBondContact O-N 3.01Å | ||
| 112 | D | 28.6 | Very low | 32.3 | Very low | 155 Ų | 155 | 125.3 Ų | 125.3 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | trans | -72.2 | 84 | 168.6 | -169 | 15.7 | 0 | 0 | 0 | 109 | Q110 | Q110-D112 PolarHBondContact O-N 2.93Š| ||
| 113 | S | 28.2 | Very low | 33.2 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | trans | -95.1 | 85.9 | 160.9 | 179.4 | 0 | 0 | 0 | 0 | 107.3 | T111 T115 | T111-S113 VanDerWaalsContact C-N 3.31Å; T111-S113 PolarHBondContact O-N 3.01Å; S113-T115 PolarHBondContact O-N 3.41Å; S113-T115 PolarHBondContact OG-OG1 3.01Å | ||
| 114 | G | 32.7 | Very low | 34 | Very low | 66 Ų | 66 | 119.9 Ų | 119.9 | 68% | 0.68 | 67% | 0.671 | S | S | * | * | trans | -66.4 | 55.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V116 | G114-V116 PolarHBondContact O-N 3.4Š| ||
| 115 | T | 30.6 | Very low | 35.1 | Very low | 97 Ų | 97 | 111.6 Ų | 111.6 | 60% | 0.595 | 63% | 0.632 | S | S | * | * | trans | -84.7 | 93.6 | 161.7 | 1.1 | 0 | 0 | 0 | 0 | 107.3 | S113 F117 | S113-T115 PolarHBondContact O-N 3.41Å; S113-T115 PolarHBondContact OG-OG1 3.01Å; T115-F117 PolarHBondContact O-N 3.19Å | ||
| 116 | V | 35.2 | Very low | 36.3 | Very low | 138 Ų | 138 | 115.5 Ų | 115.5 | 84% | 0.836 | 63% | 0.629 | S | S | * | * | trans | -62.2 | 84.7 | 169.4 | -178 | 0 | 0 | 0 | 0 | 107.7 | G114 P118 | G114-V116 PolarHBondContact O-N 3.4Å; V116-P118 WeakPolarHBondContact O-CD 3.04Å | ||
| 117 | F | 32.8 | Very low | 37.1 | Very low | 172 Ų | 172 | 112 Ų | 112 | 75% | 0.754 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 124 | 161.5 | -94.3 | -90.4 | 0 | 0 | 0 | 106.3 | T115 S119 | T115-F117 PolarHBondContact O-N 3.19Å; F117-S119 PolarHBondContact O-N 3.5Å |
| 118 | P | 42.5 | Very low | 38 | Very low | 61 Ų | 61 | 112.1 Ų | 112.1 | 40% | 0.396 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -50.1 | 131.6 | 168 | -19 | 28.7 | 0 | 0 | 0 | 106.9 | V116 V120 E122 V123 | V116-P118 WeakPolarHBondContact O-CD 3.04Å; P118-V120 PolarHBondContact O-N 3.26Å; P118-E122 HydrophobicContact CB-CB 4.31Å; P118-V123 HydrophobicContact CB-CG2 4.2Å |
| 119 | S | 45.1 | Very low | 38.8 | Very low | 64 Ų | 64 | 107.3 Ų | 107.3 | 45% | 0.448 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -51.5 | 137.8 | 179.2 | 71.3 | 0 | 0 | 0 | 0 | 107.9 | F117 W121 E122 V123 | F117-S119 PolarHBondContact O-N 3.5Å; S119-W121 CarbonylContact O-C 3.55Å; S119-W121 PolarHBondContact O-N 2.86Å; S119-E122 WeakPolarHBondContact O-CA 3.42Å; S119-E122 WeakPolarHBondContact O-CB 3.32Å; S119-E122 PolarHBondContact O-N 2.88Å; S119-E122 PolarHBondContact OG-N 2.74Å; S119-V123 PolarHBondContact O-N 3.36Å |
| 120 | V | 42.9 | Very low | 39.6 | Very low | 121 Ų | 121 | 104.6 Ų | 104.6 | 73% | 0.733 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -51.3 | -21.6 | -179.6 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | P118 V123 F124 | P118-V120 PolarHBondContact O-N 3.26Å; V120-V123 PolarHBondContact O-N 2.78Å; V120-F124 WeakPolarHBondContact O-CB 3.44Å; V120-F124 PolarHBondContact O-N 2.81Å |
| 121 | W | 41.2 | Very low | 40 | Very low | 89 Ų | 89 | 102.6 Ų | 102.6 | 34% | 0.337 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.9 | -40.2 | 170.9 | -163.9 | -115.1 | 0 | 0 | 0 | 115.5 | S119 V123 F124 L125 I375 | S119-W121 CarbonylContact O-C 3.55Å; S119-W121 PolarHBondContact O-N 2.86Å; W121-V123 VanDerWaalsContact C-N 3.31Å; W121-F124 AromaticContact CE3-CD1 3.98Å; W121-F124 HydrophobicContact CE3-CD1 3.98Å; W121-F124 HydrophobicContact CE3-CG 4.44Å; W121-F124 HydrophobicContact CH2-CD1 4.34Å; W121-F124 HydrophobicContact CH2-CE1 4.22Å; W121-F124 AromaticContact CZ3-CD1 3.81Å; W121-F124 HydrophobicContact CZ3-CD1 3.81Å; W121-F124 AromaticContact CZ3-CE1 3.96Å; W121-F124 HydrophobicContact CZ3-CE1 3.96Å; W121-F124 PolarHBondContact O-N 3.36Å; W121-L125 WeakPolarHBondContact O-CB 3.47Å; W121-L125 WeakPolarHBondContact O-CG 3.42Å; W121-L125 PolarHBondContact O-N 2.85Å; W121-I375 HydrophobicContact CH2-CD1 3.61Å; W121-I375 HydrophobicContact CH2-CG1 4.15Å; W121-I375 HydrophobicContact CH2-CG2 4.37Å; W121-I375 HydrophobicContact CZ2-CB 4.35Å; W121-I375 HydrophobicContact CZ2-CD1 3.83Å; W121-I375 HydrophobicContact CZ2-CG1 3.95Å; W121-I375 HydrophobicContact CZ2-CG2 3.47Å; W121-I375 VanDerWaalsContact CZ2-CG2 3.47Å |
| 122 | E | 43 | Very low | 40.5 | Very low | 99 Ų | 99 | 98.5 Ų | 98.5 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 170.7 | -73.8 | -174.1 | 159 | 0 | 0 | 110.7 | P118 S119 R126 | P118-E122 HydrophobicContact CB-CB 4.31Å; S119-E122 WeakPolarHBondContact O-CA 3.42Å; S119-E122 WeakPolarHBondContact O-CB 3.32Å; S119-E122 PolarHBondContact O-N 2.88Å; S119-E122 PolarHBondContact OG-N 2.74Å; E122-R126 WeakPolarHBondContact O-CB 3.39Å; E122-R126 PolarHBondContact O-N 2.84Å |
| 123 | V | 47.4 | Very low | 41.1 | Very low | 80 Ų | 80 | 96.4 Ų | 96.4 | 49% | 0.485 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 174.3 | -176 | 0 | 0 | 0 | 0 | 110.8 | P118 S119 V120 W121 F127 | P118-V123 HydrophobicContact CB-CG2 4.2Å; S119-V123 PolarHBondContact O-N 3.36Å; V120-V123 PolarHBondContact O-N 2.78Å; W121-V123 VanDerWaalsContact C-N 3.31Å; V123-F127 WeakPolarHBondContact O-CB 3.08Å; V123-F127 PolarHBondContact O-N 3.32Å |
| 124 | F | 44.8 | Very low | 41.4 | Very low | 56 Ų | 56 | 96.6 Ų | 96.6 | 25% | 0.246 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.4 | -49.2 | 176 | 177.2 | -96.8 | 0 | 0 | 0 | 112.6 | V120 W121 F127 W128 | V120-F124 WeakPolarHBondContact O-CB 3.44Å; V120-F124 PolarHBondContact O-N 2.81Å; W121-F124 AromaticContact CE3-CD1 3.98Å; W121-F124 HydrophobicContact CE3-CD1 3.98Å; W121-F124 HydrophobicContact CE3-CG 4.44Å; W121-F124 HydrophobicContact CH2-CD1 4.34Å; W121-F124 HydrophobicContact CH2-CE1 4.22Å; W121-F124 AromaticContact CZ3-CD1 3.81Å; W121-F124 HydrophobicContact CZ3-CD1 3.81Å; W121-F124 AromaticContact CZ3-CE1 3.96Å; W121-F124 HydrophobicContact CZ3-CE1 3.96Å; W121-F124 PolarHBondContact O-N 3.36Å; F124-F127 PolarHBondContact O-N 3.21Å; F124-W128 HydrophobicContact CD2-CE3 4.32Å; F124-W128 AromaticContact CE1-CE3 3.8Å; F124-W128 HydrophobicContact CE1-CE3 3.8Å; F124-W128 HydrophobicContact CE1-CZ3 4.19Å; F124-W128 AromaticContact CE2-CE3 3.49Å; F124-W128 HydrophobicContact CE2-CE3 3.49Å; F124-W128 VanDerWaalsContact CE2-CE3 3.49Å; F124-W128 AromaticContact CE2-CZ3 3.54Å; F124-W128 HydrophobicContact CE2-CZ3 3.54Å; F124-W128 HydrophobicContact CZ-CD2 4.31Å; F124-W128 AromaticContact CZ-CE3 3.19Å; F124-W128 HydrophobicContact CZ-CE3 3.19Å; F124-W128 HydrophobicContact CZ-CH2 4.35Å; F124-W128 AromaticContact CZ-CZ3 3.22Å; F124-W128 HydrophobicContact CZ-CZ3 3.22Å; F124-W128 VanDerWaalsContact O-CB 3.29Å; F124-W128 WeakPolarHBondContact O-CB 3.29Å; F124-W128 PolarHBondContact O-N 2.8Å |
| 125 | L | 51.5 | Low | 41.5 | Very low | 17 Ų | 17 | 99.2 Ų | 99.2 | 9% | 0.089 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 178 | -73 | 174.6 | 0 | 0 | 0 | 111.5 | W121 F127 W128 F129 I375 | W121-L125 WeakPolarHBondContact O-CB 3.47Å; W121-L125 WeakPolarHBondContact O-CG 3.42Å; W121-L125 PolarHBondContact O-N 2.85Å; L125-F127 VanDerWaalsContact C-N 3.34Å; L125-W128 PolarHBondContact O-N 3.48Å; L125-F129 VanDerWaalsContact O-CB 3.24Å; L125-F129 WeakPolarHBondContact O-CB 3.39Å; L125-F129 WeakPolarHBondContact O-CD2 3.15Å; L125-F129 PolarHBondContact O-N 3.29Å; L125-I375 HydrophobicContact CD2-CG2 4.47Å |
| 126 | R | 51.1 | Low | 41.9 | Very low | 201 Ų | 201 | 97.4 Ų | 97.4 | 76% | 0.758 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -68.6 | -35.4 | 176.8 | -153.9 | 165.3 | 84.8 | 163.1 | 8.6 | 111.4 | E122 W130 | E122-R126 WeakPolarHBondContact O-CB 3.39Å; E122-R126 PolarHBondContact O-N 2.84Å; R126-W130 WeakPolarHBondContact O-CB 3.35Å; R126-W130 PolarHBondContact O-N 2.97Å |
| 127 | F | 45 | Very low | 41.8 | Very low | 54 Ų | 54 | 94.4 Ų | 94.4 | 24% | 0.237 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -72.7 | -36.9 | 173.8 | -173.2 | -101 | 0 | 0 | 0 | 112.5 | M27 V123 F124 L125 W130 W131 | M27-F127 HydrophobicContact CE-CD1 4.35Å; M27-F127 HydrophobicContact CE-CE1 3.71Å; M27-F127 HydrophobicContact CE-CZ 4.43Å; V123-F127 WeakPolarHBondContact O-CB 3.08Å; V123-F127 PolarHBondContact O-N 3.32Å; F124-F127 PolarHBondContact O-N 3.21Å; L125-F127 VanDerWaalsContact C-N 3.34Å; F127-W130 HydrophobicContact CD2-CE3 4.21Å; F127-W130 AromaticContact CE2-CE3 3.99Å; F127-W130 HydrophobicContact CE2-CE3 3.99Å; F127-W130 HydrophobicContact CE2-CZ3 4.03Å; F127-W130 PolarHBondContact O-N 2.64Å; F127-W131 HydrophobicContact CZ-CE3 4.49Å; F127-W131 VanDerWaalsContact O-CB 3.26Å; F127-W131 WeakPolarHBondContact O-CB 3.26Å; F127-W131 PolarHBondContact O-N 3.01Å |
| 128 | W | 44 | Very low | 41.7 | Very low | 106 Ų | 106 | 92 Ų | 92 | 40% | 0.402 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -75.6 | -37.1 | 176.7 | -153.7 | -60.4 | 0 | 0 | 0 | 111.7 | F124 L125 W130 W131 F132 L372 | F124-W128 HydrophobicContact CD2-CE3 4.32Å; F124-W128 AromaticContact CE1-CE3 3.8Å; F124-W128 HydrophobicContact CE1-CE3 3.8Å; F124-W128 HydrophobicContact CE1-CZ3 4.19Å; F124-W128 AromaticContact CE2-CE3 3.49Å; F124-W128 HydrophobicContact CE2-CE3 3.49Å; F124-W128 VanDerWaalsContact CE2-CE3 3.49Å; F124-W128 AromaticContact CE2-CZ3 3.54Å; F124-W128 HydrophobicContact CE2-CZ3 3.54Å; F124-W128 HydrophobicContact CZ-CD2 4.31Å; F124-W128 AromaticContact CZ-CE3 3.19Å; F124-W128 HydrophobicContact CZ-CE3 3.19Å; F124-W128 HydrophobicContact CZ-CH2 4.35Å; F124-W128 AromaticContact CZ-CZ3 3.22Å; F124-W128 HydrophobicContact CZ-CZ3 3.22Å; F124-W128 VanDerWaalsContact O-CB 3.29Å; F124-W128 WeakPolarHBondContact O-CB 3.29Å; F124-W128 PolarHBondContact O-N 2.8Å; L125-W128 PolarHBondContact O-N 3.48Å; W128-W130 VanDerWaalsContact C-N 3.35Å; W128-W131 PolarHBondContact O-N 3.31Å; W128-F132 WeakPolarHBondContact O-CB 3.24Å; W128-F132 PolarHBondContact O-N 2.77Å; W128-L372 HydrophobicContact CD2-CD2 4.34Å; W128-L372 HydrophobicContact CZ2-CD1 4.28Å; W128-L372 HydrophobicContact CZ2-CD2 4.33Å |
| 129 | F | 45 | Very low | 41 | Very low | 76 Ų | 76 | 95.9 Ų | 95.9 | 33% | 0.333 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 168.5 | -100.6 | -87.1 | 0 | 0 | 0 | 111 | L125 F132 Q133 | L125-F129 VanDerWaalsContact O-CB 3.24Å; L125-F129 WeakPolarHBondContact O-CB 3.39Å; L125-F129 WeakPolarHBondContact O-CD2 3.15Å; L125-F129 PolarHBondContact O-N 3.29Å; F129-F132 WeakPolarHBondContact O-CB 3.5Å; F129-F132 PolarHBondContact O-N 3.4Å; F129-Q133 WeakPolarHBondContact O-CB 3.34Å; F129-Q133 PolarHBondContact O-N 3.34Å |
| 130 | W | 44.6 | Very low | 40.4 | Very low | 125 Ų | 125 | 98.1 Ų | 98.1 | 47% | 0.473 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 173.4 | -176.7 | 76.9 | 0 | 0 | 0 | 111.9 | R126 F127 W128 F132 Q133 E134 | R126-W130 WeakPolarHBondContact O-CB 3.35Å; R126-W130 PolarHBondContact O-N 2.97Å; F127-W130 HydrophobicContact CD2-CE3 4.21Å; F127-W130 AromaticContact CE2-CE3 3.99Å; F127-W130 HydrophobicContact CE2-CE3 3.99Å; F127-W130 HydrophobicContact CE2-CZ3 4.03Å; F127-W130 PolarHBondContact O-N 2.64Å; W128-W130 VanDerWaalsContact C-N 3.35Å; W130-F132 VanDerWaalsContact C-N 3.34Å; W130-F132 PolarHBondContact O-N 2.79Å; W130-Q133 WeakPolarHBondContact O-CB 3.34Å; W130-Q133 PolarHBondContact O-N 2.87Å; W130-E134 PolarHBondContact O-N 2.97Å |
| 131 | W | 36.1 | Very low | 39.9 | Very low | 143 Ų | 143 | 97.2 Ų | 97.2 | 54% | 0.542 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -35.1 | 173.2 | -174.8 | -85.9 | 0 | 0 | 0 | 112.9 | F127 W128 E134 L135 | F127-W131 HydrophobicContact CZ-CE3 4.49Å; F127-W131 VanDerWaalsContact O-CB 3.26Å; F127-W131 WeakPolarHBondContact O-CB 3.26Å; F127-W131 PolarHBondContact O-N 3.01Å; W128-W131 PolarHBondContact O-N 3.31Å; W131-E134 PolarHBondContact O-N 3.39Å; W131-L135 PolarHBondContact O-N 3.39Å |
| 132 | F | 38.8 | Very low | 39.5 | Very low | 52 Ų | 52 | 98.3 Ų | 98.3 | 23% | 0.228 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 173.2 | -138.9 | -95.7 | 0 | 0 | 0 | 111.1 | W128 F129 W130 E134 L135 I136 Q323 | W128-F132 WeakPolarHBondContact O-CB 3.24Å; W128-F132 PolarHBondContact O-N 2.77Å; F129-F132 WeakPolarHBondContact O-CB 3.5Å; F129-F132 PolarHBondContact O-N 3.4Å; W130-F132 VanDerWaalsContact C-N 3.34Å; W130-F132 PolarHBondContact O-N 2.79Å; F132-E134 PolarHBondContact O-N 3.45Å; F132-L135 PolarHBondContact O-N 3.23Å; F132-I136 HydrophobicContact CD1-CD1 3.59Å; F132-I136 HydrophobicContact CD1-CG1 4.42Å; F132-I136 HydrophobicContact CE1-CD1 4.02Å; F132-I136 WeakPolarHBondContact O-CB 3.47Å; F132-I136 WeakPolarHBondContact O-CD1 3.29Å; F132-I136 WeakPolarHBondContact O-CG1 3.3Å; F132-I136 PolarHBondContact O-N 2.94Å; F132-Q323 HydrophobicContact CE1-CB 4.47Å; F132-Q323 HydrophobicContact CE1-CG 4.28Å; F132-Q323 HydrophobicContact CZ-CG 4Å |
| 133 | Q | 41.4 | Very low | 38.9 | Very low | 110 Ų | 110 | 99.9 Ų | 99.9 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -32.1 | 174.8 | -151.9 | 166.7 | 1.4 | 0 | 0 | 111.6 | F129 W130 S137 | F129-Q133 WeakPolarHBondContact O-CB 3.34Å; F129-Q133 PolarHBondContact O-N 3.34Å; W130-Q133 WeakPolarHBondContact O-CB 3.34Å; W130-Q133 PolarHBondContact O-N 2.87Å; Q133-S137 PolarHBondContact O-N 3.34Å; Q133-S137 PolarHBondContact O-OG 3.4Å |
| 134 | E | 34.3 | Very low | 38.3 | Very low | 102 Ų | 102 | 103.1 Ų | 103.1 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -83.7 | -29.4 | 176.5 | -127.6 | 64.9 | 155 | 0 | 0 | 114 | W130 W131 F132 I136 S137 | W130-E134 PolarHBondContact O-N 2.97Å; W131-E134 PolarHBondContact O-N 3.39Å; F132-E134 PolarHBondContact O-N 3.45Å; E134-I136 PolarHBondContact O-N 3.21Å; E134-S137 PolarHBondContact O-N 3.48Å |
| 135 | L | 33.2 | Very low | 37.7 | Very low | 120 Ų | 120 | 106 Ų | 106 | 63% | 0.628 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.8 | -23.9 | 167.3 | -93.6 | 158.7 | 0 | 0 | 0 | 112.8 | W131 F132 | W131-L135 PolarHBondContact O-N 3.39Å; F132-L135 PolarHBondContact O-N 3.23Å |
| 136 | I | 38.8 | Very low | 36.8 | Very low | 60 Ų | 60 | 113.3 Ų | 113.3 | 31% | 0.308 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -89.5 | -20.6 | 175.8 | -67.2 | 165.5 | 0 | 0 | 0 | 111.6 | F132 E134 V138 P263 | F132-I136 HydrophobicContact CD1-CD1 3.59Å; F132-I136 HydrophobicContact CD1-CG1 4.42Å; F132-I136 HydrophobicContact CE1-CD1 4.02Å; F132-I136 WeakPolarHBondContact O-CB 3.47Å; F132-I136 WeakPolarHBondContact O-CD1 3.29Å; F132-I136 WeakPolarHBondContact O-CG1 3.3Å; F132-I136 PolarHBondContact O-N 2.94Å; E134-I136 PolarHBondContact O-N 3.21Å; I136-V138 PolarHBondContact O-N 3.23Å; I136-P263 HydrophobicContact CD1-CB 4.17Å; I136-P263 HydrophobicContact CD1-CG 4.48Å; I136-P263 HydrophobicContact CG1-CG 4.35Å; I136-P263 HydrophobicContact CG2-CB 4.38Å; I136-P263 HydrophobicContact CG2-CG 4.39Å; I136-P263 WeakPolarHBondContact CG2-O 3.43Å |
| 137 | S | 33.2 | Very low | 35.9 | Very low | 74 Ų | 74 | 110.7 Ų | 110.7 | 52% | 0.517 | 57% | 0.567 | S | S | . | * | trans | -79.8 | 70.2 | 172.4 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | Q133 E134 D139 | Q133-S137 PolarHBondContact O-N 3.34Å; Q133-S137 PolarHBondContact O-OG 3.4Å; E134-S137 PolarHBondContact O-N 3.48Å; S137-D139 PolarHBondContact O-N 2.66Å | ||
| 138 | V | 32.5 | Very low | 35.4 | Very low | 123 Ų | 123 | 113.1 Ų | 113.1 | 75% | 0.745 | 59% | 0.59 | S | S | * | * | trans | -68.9 | 110 | 144.7 | 177.5 | 0 | 0 | 0 | 0 | 104.8 | I136 P140 | I136-V138 PolarHBondContact O-N 3.23Å; V138-P140 VanDerWaalsContact O-CD 3.3Å; V138-P140 WeakPolarHBondContact O-CD 3.36Å | ||
| 139 | D | 26.8 | Very low | 34.6 | Very low | 141 Ų | 141 | 119.5 Ų | 119.5 | 75% | 0.754 | 61% | 0.614 | S | S | * | * | trans | -41.1 | 116.1 | 170.3 | -114.9 | -20.1 | 0 | 0 | 0 | 108.4 | S137 T141 | S137-D139 PolarHBondContact O-N 2.66Å; D139-T141 VanDerWaalsContact C-N 3.28Å; D139-T141 PolarHBondContact O-N 3.32Å | ||
| 140 | P | 33.3 | Very low | 34.3 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 72% | 0.721 | 64% | 0.636 | S | S | * | * | trans | -69.3 | 102.5 | 163 | 28 | -27.2 | 0 | 0 | 0 | 104.6 | V138 | V138-P140 VanDerWaalsContact O-CD 3.3Å; V138-P140 WeakPolarHBondContact O-CD 3.36Å | ||
| 141 | T | 31.7 | Very low | 33.8 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 63% | 0.632 | 65% | 0.653 | S | S | * | * | trans | -42.2 | 128.4 | 157 | 33.4 | 0 | 0 | 0 | 0 | 107.4 | D139 D143 | D139-T141 VanDerWaalsContact C-N 3.28Å; D139-T141 PolarHBondContact O-N 3.32Å; T141-D143 PolarHBondContact O-N 3.45Å | ||
| 142 | P | 33.6 | Very low | 33.7 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | -69 | 91.6 | 178.1 | 27.8 | -31.6 | 0 | 0 | 0 | 106.8 | L144 | P142-L144 PolarHBondContact O-N 3.23Š| ||
| 143 | D | 29 | Very low | 33.9 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | trans | -70.4 | 81.3 | 166.3 | -82.3 | -12.8 | 0 | 0 | 0 | 107 | T141 L145 | T141-D143 PolarHBondContact O-N 3.45Å; D143-L145 HydrophobicContact CB-CG 4.44Å; D143-L145 PolarHBondContact O-N 3.3Å | ||
| 144 | L | 35.8 | Very low | 34.2 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 78% | 0.78 | 69% | 0.689 | S | S | * | * | trans | -62.5 | 68.2 | 156.4 | -75.9 | 170.3 | 0 | 0 | 0 | 108.4 | P142 | P142-L144 PolarHBondContact O-N 3.23Š| ||
| 145 | L | 30.9 | Very low | 34.7 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 61% | 0.607 | 70% | 0.7 | S | S | * | * | trans | -109.5 | 71.3 | 169.1 | -66.6 | -163.9 | 0 | 0 | 0 | 108.9 | D143 H147 | D143-L145 HydrophobicContact CB-CG 4.44Å; D143-L145 PolarHBondContact O-N 3.3Å; L145-H147 WeakPolarHBondContact CB-ND1 3.39Å; L145-H147 PolarHBondContact O-N 3Å | ||
| 146 | L | 34.3 | Very low | 35.5 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 89% | 0.89 | 69% | 0.694 | S | S | * | * | trans | -59.9 | 72.6 | 147.8 | -79.6 | 162.1 | 0 | 0 | 0 | 108.5 | S148 | L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.36Å; L146-S148 VanDerWaalsContact O-N 3.17Å | ||
| 147 | H | 30.7 | Very low | 36.2 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 68% | 0.681 | 71% | 0.712 | S | S | * | * | trans | -84.5 | 88 | 167.9 | -85.8 | 66.5 | 0 | 0 | 0 | 108.4 | L145 R149 | L145-H147 WeakPolarHBondContact CB-ND1 3.39Å; L145-H147 PolarHBondContact O-N 3Å; H147-R149 PolarHBondContact O-N 3.25Å; H147-R149 VanDerWaalsContact O-N 3.07Å | ||
| 148 | S | 35.1 | Very low | 37.5 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | -49.4 | 107.2 | 157.4 | 162.2 | 0 | 0 | 0 | 0 | 109.8 | L146 | L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.36Å; L146-S148 VanDerWaalsContact O-N 3.17Å | ||
| 149 | R | 27 | Very low | 39 | Very low | 240 Ų | 240 | 128.9 Ų | 128.9 | 91% | 0.906 | 69% | 0.691 | S | S | * | * | trans | -126.2 | 104.2 | 153.8 | -90.6 | -168.5 | 175.5 | -151.3 | 0.7 | 108.9 | H147 Q151 | H147-R149 PolarHBondContact O-N 3.25Å; H147-R149 VanDerWaalsContact O-N 3.07Å; R149-Q151 PolarHBondContact O-N 3.08Å | ||
| 150 | L | 38.7 | Very low | 41.1 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 80% | 0.801 | 67% | 0.672 | S | S | * | * | trans | -52.2 | 115.3 | 161.8 | -79 | 141 | 0 | 0 | 0 | 109.7 | ||||
| 151 | Q | 33.9 | Very low | 42.7 | Very low | 175 Ų | 175 | 122.2 Ų | 122.2 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | trans | 177.4 | 114.7 | 140.1 | -96.2 | 162.7 | 61.1 | 0 | 0 | 111.2 | R149 | R149-Q151 PolarHBondContact O-N 3.08Š| ||
| 152 | T | 34.1 | Very low | 44.6 | Very low | 135 Ų | 135 | 118.4 Ų | 118.4 | 83% | 0.828 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 60.3 | 116.2 | 161.5 | 18.3 | 0 | 0 | 0 | 0 | 119.2 | P154 | T152-P154 WeakPolarHBondContact O-CD 3.17Å; T152-P154 VanDerWaalsContact O-CG 3.26Å; T152-P154 WeakPolarHBondContact O-CG 3.34Å; T152-P154 VanDerWaalsContact O-N 3.12Å |
| 153 | D | 43.3 | Very low | 46.6 | Very low | 129 Ų | 129 | 119.3 Ų | 119.3 | 69% | 0.69 | 62% | 0.622 | S | S | * | * | trans | -35.3 | 91.6 | -167.2 | -74.5 | -31 | 0 | 0 | 0 | 118.3 | ||||
| 154 | P | 48.2 | Very low | 48.9 | Very low | 82 Ų | 82 | 120.1 Ų | 120.1 | 53% | 0.532 | 62% | 0.615 | S | S | . | * | trans | -87.3 | -10 | 170.3 | -4.8 | 26.5 | 0 | 0 | 0 | 112.4 | T152 A158 | T152-P154 WeakPolarHBondContact O-CD 3.17Å; T152-P154 VanDerWaalsContact O-CG 3.26Å; T152-P154 WeakPolarHBondContact O-CG 3.34Å; T152-P154 VanDerWaalsContact O-N 3.12Å; P154-A158 PolarHBondContact O-N 3.37Å | ||
| 155 | W | 44.9 | Very low | 50.9 | Low | 187 Ų | 187 | 113 Ų | 113 | 71% | 0.708 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71 | -34.8 | -176.4 | -63.9 | 89.7 | 0 | 0 | 0 | 111.9 | D157 A158 L159 | W155-D157 PolarHBondContact O-N 2.92Å; W155-A158 PolarHBondContact O-N 3.42Å; W155-L159 HydrophobicContact CB-CD1 4.3Å; W155-L159 WeakPolarHBondContact O-CB 3.35Å; W155-L159 WeakPolarHBondContact O-CD1 3.43Å; W155-L159 WeakPolarHBondContact O-CG 3.45Å; W155-L159 PolarHBondContact O-N 3.21Å |
| 156 | S | 48.9 | Very low | 53.3 | Low | 73 Ų | 73 | 111.4 Ų | 111.4 | 51% | 0.51 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.8 | -43.9 | 179.4 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | L160 | S156-L160 VanDerWaalsContact O-CB 3.23Å; S156-L160 WeakPolarHBondContact O-CB 3.4Å; S156-L160 PolarHBondContact O-N 2.59Å |
| 157 | D | 55.2 | Low | 55.5 | Low | 125 Ų | 125 | 110.1 Ų | 110.1 | 67% | 0.668 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -76 | -33.5 | -178.2 | -73.4 | -18.2 | 0 | 0 | 0 | 113 | W155 P161 | W155-D157 PolarHBondContact O-N 2.92Å; D157-P161 WeakPolarHBondContact O-CD 3.43Å |
| 158 | A | 58.8 | Low | 57.8 | Low | 58 Ų | 58 | 103.6 Ų | 103.6 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -75.3 | -33.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P154 W155 H162 | P154-A158 PolarHBondContact O-N 3.37Å; W155-A158 PolarHBondContact O-N 3.42Å; A158-H162 PolarHBondContact O-CE1 3.06Å; A158-H162 PolarHBondContact O-ND1 3.01Å |
| 159 | L | 64.9 | Low | 59.9 | Low | 66 Ų | 66 | 99 Ų | 99 | 35% | 0.346 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -83.4 | -24.5 | 179.7 | -67.6 | 170 | 0 | 0 | 0 | 112.8 | W155 H162 M163 | W155-L159 HydrophobicContact CB-CD1 4.3Å; W155-L159 WeakPolarHBondContact O-CB 3.35Å; W155-L159 WeakPolarHBondContact O-CD1 3.43Å; W155-L159 WeakPolarHBondContact O-CG 3.45Å; W155-L159 PolarHBondContact O-N 3.21Å; L159-H162 CarbonylContact O-C 3.6Å; L159-H162 WeakPolarHBondContact O-CA 3.16Å; L159-H162 WeakPolarHBondContact O-CB 3.45Å; L159-H162 PolarHBondContact O-N 2.68Å; L159-M163 WeakPolarHBondContact O-CG 3.35Å; L159-M163 PolarHBondContact O-N 3.05Å |
| 160 | L | 70.2 | Confident | 62.5 | Low | 68 Ų | 68 | 90.6 Ų | 90.6 | 36% | 0.356 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -55.8 | -45.2 | -178.3 | -179.4 | 67.6 | 0 | 0 | 0 | 113.8 | S156 H162 M163 R164 | S156-L160 VanDerWaalsContact O-CB 3.23Å; S156-L160 WeakPolarHBondContact O-CB 3.4Å; S156-L160 PolarHBondContact O-N 2.59Å; L160-H162 VanDerWaalsContact C-N 3.29Å; L160-H162 PolarHBondContact O-N 3.49Å; L160-M163 PolarHBondContact O-N 2.94Å; L160-R164 WeakPolarHBondContact O-CB 3.19Å; L160-R164 VanDerWaalsContact O-CG 3.29Å; L160-R164 WeakPolarHBondContact O-CG 3.49Å; L160-R164 PolarHBondContact O-N 2.94Å |
| 161 | P | 67.9 | Low | 64.3 | Low | 43 Ų | 43 | 85.1 Ų | 85.1 | 28% | 0.279 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.6 | -36.9 | 173.1 | -23.4 | 33.3 | 0 | 0 | 0 | 113.2 | D157 F165 V205 | D157-P161 WeakPolarHBondContact O-CD 3.43Å; P161-F165 WeakPolarHBondContact O-CB 3.3Å; P161-F165 PolarHBondContact O-N 2.77Å; P161-V205 HydrophobicContact CB-CG1 3.87Å; P161-V205 HydrophobicContact CG-CG1 4.35Å |
| 162 | H | 71.9 | Confident | 66.3 | Low | 24 Ų | 24 | 76.8 Ų | 76.8 | 11% | 0.111 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70.9 | -42.5 | -179.5 | -62.6 | 83.3 | 0 | 0 | 0 | 111.6 | A158 L159 L160 F165 L166 L212 L215 | A158-H162 PolarHBondContact O-CE1 3.06Å; A158-H162 PolarHBondContact O-ND1 3.01Å; L159-H162 CarbonylContact O-C 3.6Å; L159-H162 WeakPolarHBondContact O-CA 3.16Å; L159-H162 WeakPolarHBondContact O-CB 3.45Å; L159-H162 PolarHBondContact O-N 2.68Å; L160-H162 VanDerWaalsContact C-N 3.29Å; L160-H162 PolarHBondContact O-N 3.49Å; H162-F165 WeakPolarHBondContact O-CB 3.14Å; H162-F165 PolarHBondContact O-N 2.76Å; H162-L166 WeakPolarHBondContact O-CG 3.26Å; H162-L166 PolarHBondContact O-N 3.47Å; H162-L212 WeakPolarHBondContact NE2-CD1 3.4Å; H162-L215 WeakPolarHBondContact CD2-CD2 3.4Å; H162-L215 WeakPolarHBondContact NE2-CD2 3.33Å |
| 163 | M | 75.5 | Confident | 68.5 | Low | 130 Ų | 130 | 74.2 Ų | 74.2 | 64% | 0.64 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.1 | -42.6 | 174.6 | -68.9 | -176.5 | 70.6 | 0 | 0 | 111.3 | L159 L160 F165 L166 Q167 | L159-M163 WeakPolarHBondContact O-CG 3.35Å; L159-M163 PolarHBondContact O-N 3.05Å; L160-M163 PolarHBondContact O-N 2.94Å; M163-F165 VanDerWaalsContact C-N 3.35Å; M163-F165 PolarHBondContact O-N 3.29Å; M163-L166 PolarHBondContact O-N 2.66Å; M163-Q167 VanDerWaalsContact O-CB 3.3Å; M163-Q167 WeakPolarHBondContact O-CB 3.43Å; M163-Q167 PolarHBondContact O-N 3.27Å |
| 164 | R | 77.6 | Confident | 70 | Confident | 148 Ų | 148 | 77.4 Ų | 77.4 | 56% | 0.558 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.7 | -41.8 | 174.9 | -74 | 176 | -179.4 | 176.6 | 1.2 | 111.9 | L160 Q167 S168 | L160-R164 WeakPolarHBondContact O-CB 3.19Å; L160-R164 VanDerWaalsContact O-CG 3.29Å; L160-R164 WeakPolarHBondContact O-CG 3.49Å; L160-R164 PolarHBondContact O-N 2.94Å; R164-Q167 PolarHBondContact O-N 2.76Å; R164-S168 WeakPolarHBondContact O-CB 3.41Å; R164-S168 PolarHBondContact O-N 3.19Å; R164-S168 PolarHBondContact O-OG 2.9Å; R164-S168 VanDerWaalsContact O-OG 3.07Å |
| 165 | F | 77.6 | Confident | 70.8 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 0% | 0.004 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 174.7 | 170.7 | -95.1 | 0 | 0 | 0 | 112.6 | P161 H162 M163 Q167 S168 L169 L199 S202 V203 L215 L218 L219 A222 | P161-F165 WeakPolarHBondContact O-CB 3.3Å; P161-F165 PolarHBondContact O-N 2.77Å; H162-F165 WeakPolarHBondContact O-CB 3.14Å; H162-F165 PolarHBondContact O-N 2.76Å; M163-F165 VanDerWaalsContact C-N 3.35Å; M163-F165 PolarHBondContact O-N 3.29Å; F165-Q167 VanDerWaalsContact C-N 3.33Å; F165-Q167 PolarHBondContact O-N 2.86Å; F165-S168 PolarHBondContact O-N 3.03Å; F165-S168 PolarHBondContact O-OG 3Å; F165-L169 HydrophobicContact CE1-CD2 4.31Å; F165-L169 HydrophobicContact CZ-CD2 4.42Å; F165-L169 VanDerWaalsContact O-CB 3.25Å; F165-L169 WeakPolarHBondContact O-CB 3.49Å; F165-L169 PolarHBondContact O-N 3.46Å; F165-L199 HydrophobicContact CD2-CD1 4.27Å; F165-L199 HydrophobicContact CE2-CD1 4.24Å; F165-S202 WeakPolarHBondContact CD2-OG 2.88Å; F165-V203 HydrophobicContact CD2-CG2 4.35Å; F165-V203 HydrophobicContact CE2-CG2 3.81Å; F165-L215 HydrophobicContact CD1-CD1 3.71Å; F165-L215 HydrophobicContact CE1-CD1 3.79Å; F165-L218 HydrophobicContact CE1-CB 3.91Å; F165-L218 HydrophobicContact CE1-CD1 4.35Å; F165-L218 HydrophobicContact CZ-CB 4.05Å; F165-L219 HydrophobicContact CE2-CD2 4.25Å; F165-A222 HydrophobicContact CE2-CB 3.58Å; F165-A222 HydrophobicContact CZ-CB 3.61Å |
| 166 | L | 80.4 | Confident | 71.4 | Confident | 81 Ų | 81 | 69.4 Ų | 69.4 | 42% | 0.424 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 178.8 | -69.6 | 175.3 | 0 | 0 | 0 | 111.6 | H162 M163 L169 C170 L218 | H162-L166 WeakPolarHBondContact O-CG 3.26Å; H162-L166 PolarHBondContact O-N 3.47Å; M163-L166 PolarHBondContact O-N 2.66Å; L166-L169 PolarHBondContact O-N 3.12Å; L166-C170 WeakPolarHBondContact O-CB 3.39Å; L166-C170 PolarHBondContact O-N 3.3Å; L166-C170 PolarHBondContact O-SG 2.88Å; L166-L218 HydrophobicContact CD2-CD1 4.02Å |
| 167 | Q | 81.9 | Confident | 71.7 | Confident | 143 Ų | 143 | 69.4 Ų | 69.4 | 67% | 0.668 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.9 | -45.9 | 176.6 | -173.8 | 179.1 | 7.8 | 0 | 0 | 111.9 | M163 R164 F165 C170 S171 | M163-Q167 VanDerWaalsContact O-CB 3.3Å; M163-Q167 WeakPolarHBondContact O-CB 3.43Å; M163-Q167 PolarHBondContact O-N 3.27Å; R164-Q167 PolarHBondContact O-N 2.76Å; F165-Q167 VanDerWaalsContact C-N 3.33Å; F165-Q167 PolarHBondContact O-N 2.86Å; Q167-C170 PolarHBondContact O-N 3.17Å; Q167-S171 PolarHBondContact O-N 2.96Å; Q167-S171 PolarHBondContact O-OG 2.9Å |
| 168 | S | 78.9 | Confident | 71.4 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 8% | 0.077 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.9 | -36.6 | 177.3 | 62.3 | 0 | 0 | 0 | 0 | 112 | R164 F165 S171 V172 L199 S202 | R164-S168 WeakPolarHBondContact O-CB 3.41Å; R164-S168 PolarHBondContact O-N 3.19Å; R164-S168 PolarHBondContact O-OG 2.9Å; R164-S168 VanDerWaalsContact O-OG 3.07Å; F165-S168 PolarHBondContact O-N 3.03Å; F165-S168 PolarHBondContact O-OG 3Å; S168-S171 WeakPolarHBondContact CA-OG 3.2Å; S168-S171 PolarHBondContact O-N 3.24Å; S168-S171 PolarHBondContact O-OG 3.35Å; S168-V172 VanDerWaalsContact O-CG2 3.32Å; S168-V172 WeakPolarHBondContact O-CG2 3.24Å; S168-V172 PolarHBondContact O-N 3.18Å; S168-L199 VanDerWaalsContact OG-CD1 3.29Å; S168-L199 WeakPolarHBondContact OG-CD1 3.2Å; S168-S202 PolarHBondContact OG-OG 2.92Å |
| 169 | L | 79.3 | Confident | 71 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 174.3 | -179.7 | 58 | 0 | 0 | 0 | 111.2 | F165 L166 S171 V172 Q173 L199 A222 A225 | F165-L169 HydrophobicContact CE1-CD2 4.31Å; F165-L169 HydrophobicContact CZ-CD2 4.42Å; F165-L169 VanDerWaalsContact O-CB 3.25Å; F165-L169 WeakPolarHBondContact O-CB 3.49Å; F165-L169 PolarHBondContact O-N 3.46Å; L166-L169 PolarHBondContact O-N 3.12Å; L169-S171 VanDerWaalsContact C-N 3.34Å; L169-S171 PolarHBondContact O-N 3.41Å; L169-V172 PolarHBondContact O-N 3.03Å; L169-Q173 HydrophobicContact CD1-CG 4.27Å; L169-Q173 WeakPolarHBondContact O-CB 3.2Å; L169-Q173 VanDerWaalsContact O-CG 3.3Å; L169-Q173 WeakPolarHBondContact O-CG 3.42Å; L169-Q173 PolarHBondContact O-N 3.47Å; L169-L199 HydrophobicContact CB-CD1 4.1Å; L169-L199 HydrophobicContact CD1-CD2 4.42Å; L169-A222 HydrophobicContact CD1-CB 3.83Å; L169-A225 HydrophobicContact CD1-CB 4.09Å |
| 170 | C | 80.2 | Confident | 70.1 | Confident | 62 Ų | 62 | 71 Ų | 71 | 42% | 0.419 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 177.9 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | L166 Q167 R174 | L166-C170 WeakPolarHBondContact O-CB 3.39Å; L166-C170 PolarHBondContact O-N 3.3Å; L166-C170 PolarHBondContact O-SG 2.88Å; Q167-C170 PolarHBondContact O-N 3.17Å; C170-R174 VanDerWaalsContact O-CG 3.26Å; C170-R174 WeakPolarHBondContact O-CG 3.29Å; C170-R174 PolarHBondContact O-N 3.33Å |
| 171 | S | 76.9 | Confident | 69 | Low | 38 Ų | 38 | 70.7 Ų | 70.7 | 27% | 0.266 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.5 | -42 | 178.1 | 63.6 | 0 | 0 | 0 | 0 | 112 | Q167 S168 L169 R174 L175 | Q167-S171 PolarHBondContact O-N 2.96Å; Q167-S171 PolarHBondContact O-OG 2.9Å; S168-S171 WeakPolarHBondContact CA-OG 3.2Å; S168-S171 PolarHBondContact O-N 3.24Å; S168-S171 PolarHBondContact O-OG 3.35Å; L169-S171 VanDerWaalsContact C-N 3.34Å; L169-S171 PolarHBondContact O-N 3.41Å; S171-R174 PolarHBondContact O-N 2.9Å; S171-L175 PolarHBondContact O-N 3.06Å |
| 172 | V | 76.6 | Confident | 68 | Low | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.006 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 176.7 | 175.6 | 0 | 0 | 0 | 0 | 112 | S168 L169 R174 L175 D176 V196 L199 A225 A229 | S168-V172 VanDerWaalsContact O-CG2 3.32Å; S168-V172 WeakPolarHBondContact O-CG2 3.24Å; S168-V172 PolarHBondContact O-N 3.18Å; L169-V172 PolarHBondContact O-N 3.03Å; V172-R174 VanDerWaalsContact C-N 3.3Å; V172-R174 PolarHBondContact O-N 2.88Å; V172-L175 WeakPolarHBondContact O-CB 3.19Å; V172-L175 PolarHBondContact O-N 3.37Å; V172-L175 VanDerWaalsContact O-N 3.17Å; V172-D176 PolarHBondContact O-N 2.93Å; V172-V196 HydrophobicContact CG2-CG2 4.19Å; V172-L199 HydrophobicContact CB-CD2 3.93Å; V172-L199 HydrophobicContact CG1-CD2 4.07Å; V172-L199 HydrophobicContact CG2-CB 4.22Å; V172-L199 HydrophobicContact CG2-CD2 3.8Å; V172-A225 HydrophobicContact CG1-CB 4.04Å; V172-A229 HydrophobicContact CG1-CB 3.88Å |
| 173 | Q | 79.1 | Confident | 66.6 | Low | 80 Ų | 80 | 73.5 Ų | 73.5 | 37% | 0.374 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.4 | -30.3 | 175.5 | -73.9 | 178 | 8.6 | 0 | 0 | 113.2 | L169 L175 A225 | L169-Q173 HydrophobicContact CD1-CG 4.27Å; L169-Q173 WeakPolarHBondContact O-CB 3.2Å; L169-Q173 VanDerWaalsContact O-CG 3.3Å; L169-Q173 WeakPolarHBondContact O-CG 3.42Å; L169-Q173 PolarHBondContact O-N 3.47Å; Q173-L175 VanDerWaalsContact C-N 3.32Å; Q173-A225 HydrophobicContact CG-CB 4.23Å |
| 174 | R | 74.8 | Confident | 65.1 | Low | 196 Ų | 196 | 73.5 Ų | 73.5 | 74% | 0.74 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -71.4 | -27.3 | 173.8 | -71.6 | 171.2 | -176 | -160 | 1.7 | 112.6 | C170 S171 V172 G177 S178 | C170-R174 VanDerWaalsContact O-CG 3.26Å; C170-R174 WeakPolarHBondContact O-CG 3.29Å; C170-R174 PolarHBondContact O-N 3.33Å; S171-R174 PolarHBondContact O-N 2.9Å; V172-R174 VanDerWaalsContact C-N 3.3Å; V172-R174 PolarHBondContact O-N 2.88Å; R174-G177 PolarHBondContact O-N 3.09Å; R174-S178 PolarHBondContact O-N 3.45Å |
| 175 | L | 66.1 | Low | 63.4 | Low | 30 Ų | 30 | 75.3 Ų | 75.3 | 16% | 0.157 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -71.2 | -36.4 | 174.9 | -74.5 | 157.3 | 0 | 0 | 0 | 112 | S171 V172 Q173 G177 S178 A181 L182 A192 T195 | S171-L175 PolarHBondContact O-N 3.06Å; V172-L175 WeakPolarHBondContact O-CB 3.19Å; V172-L175 PolarHBondContact O-N 3.37Å; V172-L175 VanDerWaalsContact O-N 3.17Å; Q173-L175 VanDerWaalsContact C-N 3.32Å; L175-G177 PolarHBondContact O-N 2.87Å; L175-S178 PolarHBondContact O-N 2.86Å; L175-A181 HydrophobicContact CD2-CB 4.44Å; L175-L182 HydrophobicContact CD2-CD2 4.4Å; L175-A192 HydrophobicContact CD1-CB 4.16Å; L175-A192 HydrophobicContact CD2-CB 3.97Å; L175-T195 WeakPolarHBondContact CD1-OG1 3.29Å |
| 176 | D | 57.1 | Low | 61.6 | Low | 72 Ų | 72 | 78.7 Ų | 78.7 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.1 | -28.9 | 175.1 | -159.3 | 17.1 | 0 | 0 | 0 | 111.9 | V172 R228 | V172-D176 PolarHBondContact O-N 2.93Å; D176-R228 VanDerWaalsContact OD2-CD 3.31Å; D176-R228 WeakPolarHBondContact OD2-CD 3.48Å; D176-R228 IonicContact OD2-NH1 2.83Å; D176-R228 PolarHBondContact OD2-NH1 3.42Å; D176-R228 VanDerWaalsContact OD2-NH1 3.1Å |
| 177 | G | 54.4 | Low | 59.7 | Low | 73 Ų | 73 | 84.4 Ų | 84.4 | 75% | 0.753 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -10.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | R174 L175 | R174-G177 PolarHBondContact O-N 3.09Å; L175-G177 PolarHBondContact O-N 2.87Å |
| 178 | S | 49.7 | Very low | 57.8 | Low | 49 Ų | 49 | 80.7 Ų | 80.7 | 34% | 0.343 | 50% | 0.5 | S | S | . | . | trans | -122.3 | 89.5 | -174.9 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | R174 L175 V180 A181 | R174-S178 PolarHBondContact O-N 3.45Å; L175-S178 PolarHBondContact O-N 2.86Å; S178-V180 PolarHBondContact O-N 3.44Å; S178-A181 PolarHBondContact O-N 3.17Å | ||
| 179 | S | 49.3 | Very low | 56.6 | Low | 115 Ų | 115 | 83.7 Ų | 83.7 | 80% | 0.804 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -7.3 | 177.4 | 86.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 180 | V | 45.9 | Very low | 56 | Low | 119 Ų | 119 | 86 Ų | 86 | 72% | 0.721 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -22.4 | -173.7 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | S178 L182 | S178-V180 PolarHBondContact O-N 3.44Å; V180-L182 PolarHBondContact O-N 2.97Å |
| 181 | A | 47.6 | Very low | 55.5 | Low | 61 Ų | 61 | 86.8 Ų | 86.8 | 50% | 0.504 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.8 | -0.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L175 S178 | L175-A181 HydrophobicContact CD2-CB 4.44Å; S178-A181 PolarHBondContact O-N 3.17Å |
| 182 | L | 46.9 | Very low | 55.3 | Low | 56 Ų | 56 | 85.4 Ų | 85.4 | 29% | 0.293 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.9 | 12.3 | -177.6 | -65.4 | 174.2 | 0 | 0 | 0 | 113.3 | L175 V180 A192 L232 L233 | L175-L182 HydrophobicContact CD2-CD2 4.4Å; V180-L182 PolarHBondContact O-N 2.97Å; L182-A192 HydrophobicContact CD2-CB 3.59Å; L182-L232 HydrophobicContact CD1-CB 4.03Å; L182-L232 HydrophobicContact CD1-CD1 4.28Å; L182-L233 HydrophobicContact CD2-CD2 4.08Å |
| 183 | A | 42.1 | Very low | 55.4 | Low | 69 Ų | 69 | 86.1 Ų | 86.1 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | trans | -59.9 | 135.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E185 | A183-E185 VanDerWaalsContact C-N 3.31Å; A183-E185 PolarHBondContact O-N 2.99Å | ||
| 184 | P | 44.9 | Very low | 55.6 | Low | 130 Ų | 130 | 86.5 Ų | 86.5 | 84% | 0.844 | 56% | 0.559 | S | S | * | * | trans | -80.6 | 80 | -172.7 | 33.3 | -32.9 | 0 | 0 | 0 | 109.6 | G186 | P184-G186 PolarHBondContact O-N 3.36Š| ||
| 185 | E | 41.4 | Very low | 56 | Low | 186 Ų | 186 | 78.8 Ų | 78.8 | 87% | 0.869 | 53% | 0.533 | S | S | * | . | trans | -70.7 | 118.8 | 161.2 | -72.2 | -106.3 | 147.7 | 0 | 0 | 107.3 | A183 | A183-E185 VanDerWaalsContact C-N 3.31Å; A183-E185 PolarHBondContact O-N 2.99Å | ||
| 186 | G | 41 | Very low | 56.9 | Low | 72 Ų | 72 | 77.4 Ų | 77.4 | 74% | 0.742 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -62.2 | 145 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P184 | P184-G186 PolarHBondContact O-N 3.36Š|
| 187 | H | 39.2 | Very low | 58.1 | Low | 201 Ų | 201 | 74.4 Ų | 74.4 | 93% | 0.931 | 51% | 0.51 | S | S | * | . | S | Bend | trans | 75.6 | 98.4 | 158 | -139.1 | 71.9 | 0 | 0 | 0 | 116.7 | ||
| 188 | G | 42.3 | Very low | 59.6 | Low | 65 Ų | 65 | 75.3 Ų | 75.3 | 67% | 0.67 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 125.3 | 131.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S190 | G188-S190 PolarHBondContact O-N 3.35Š|
| 189 | G | 53.9 | Low | 61.4 | Low | 75 Ų | 75 | 73 Ų | 73 | 77% | 0.773 | 48% | 0.481 | S | S | * | . | trans | -43.8 | 118.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A191 | G189-A191 PolarHBondContact O-N 2.89Š| ||
| 190 | S | 66 | Low | 63.1 | Low | 57 Ų | 57 | 67.6 Ų | 67.6 | 40% | 0.399 | 44% | 0.443 | S | S | . | . | trans | -49.1 | 129.7 | -175.4 | 173.4 | 0 | 0 | 0 | 0 | 109.3 | G188 A192 S193 E194 | G188-S190 PolarHBondContact O-N 3.35Å; S190-A192 CarbonylContact O-C 3.6Å; S190-A192 PolarHBondContact O-N 3.45Å; S190-A192 PolarHBondContact OG-N 3.45Å; S190-S193 WeakPolarHBondContact O-CA 3.46Å; S190-S193 VanDerWaalsContact O-CB 3.29Å; S190-S193 WeakPolarHBondContact O-CB 3.38Å; S190-S193 PolarHBondContact O-N 3.09Å; S190-E194 PolarHBondContact O-N 2.87Å | ||
| 191 | A | 70.6 | Confident | 65 | Low | 78 Ų | 78 | 65.7 Ų | 65.7 | 65% | 0.645 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -50.3 | -30.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G189 E194 T195 | G189-A191 PolarHBondContact O-N 2.89Å; A191-E194 PolarHBondContact O-N 3.46Å; A191-T195 WeakPolarHBondContact O-CG2 3.32Å; A191-T195 PolarHBondContact O-N 3.35Å; A191-T195 PolarHBondContact O-OG1 3.31Å |
| 192 | A | 72.2 | Confident | 66.6 | Low | 8 Ų | 8 | 63.5 Ų | 63.5 | 7% | 0.066 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L175 L182 S190 E194 T195 V196 L233 | L175-A192 HydrophobicContact CD1-CB 4.16Å; L175-A192 HydrophobicContact CD2-CB 3.97Å; L182-A192 HydrophobicContact CD2-CB 3.59Å; S190-A192 CarbonylContact O-C 3.6Å; S190-A192 PolarHBondContact O-N 3.45Å; S190-A192 PolarHBondContact OG-N 3.45Å; A192-E194 VanDerWaalsContact C-N 3.34Å; A192-E194 PolarHBondContact O-N 3.36Å; A192-T195 WeakPolarHBondContact CA-OG1 3.27Å; A192-T195 PolarHBondContact O-N 3.09Å; A192-T195 PolarHBondContact O-OG1 3.31Å; A192-V196 WeakPolarHBondContact O-CG2 3.42Å; A192-V196 PolarHBondContact O-N 3.45Å; A192-V196 VanDerWaalsContact O-N 3.11Å; A192-L233 HydrophobicContact CB-CD2 4.15Å |
| 193 | S | 78.4 | Confident | 68.3 | Low | 17 Ų | 17 | 60.9 Ų | 60.9 | 12% | 0.119 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 112 | S190 V196 F197 L242 | S190-S193 WeakPolarHBondContact O-CA 3.46Å; S190-S193 VanDerWaalsContact O-CB 3.29Å; S190-S193 WeakPolarHBondContact O-CB 3.38Å; S190-S193 PolarHBondContact O-N 3.09Å; S193-V196 PolarHBondContact O-N 3.2Å; S193-F197 WeakPolarHBondContact O-CD2 3.41Å; S193-F197 PolarHBondContact O-N 3.35Å; S193-F197 VanDerWaalsContact O-N 3.08Å; S193-F197 WeakPolarHBondContact OG-CE2 3.35Å; S193-L242 WeakPolarHBondContact OG-CD1 3.29Å |
| 194 | E | 83 | Confident | 70.2 | Confident | 87 Ų | 87 | 57.9 Ų | 57.9 | 41% | 0.407 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 179.6 | -166.2 | 65.5 | -168.1 | 0 | 0 | 110.9 | S190 A191 A192 V196 F197 L198 R245 | S190-E194 PolarHBondContact O-N 2.87Å; A191-E194 PolarHBondContact O-N 3.46Å; A192-E194 VanDerWaalsContact C-N 3.34Å; A192-E194 PolarHBondContact O-N 3.36Å; E194-V196 VanDerWaalsContact C-N 3.31Å; E194-V196 PolarHBondContact O-N 3.42Å; E194-F197 PolarHBondContact O-N 3.07Å; E194-L198 HydrophobicContact CG-CD1 4.39Å; E194-L198 WeakPolarHBondContact O-CB 3.38Å; E194-L198 VanDerWaalsContact O-CG 3.29Å; E194-L198 WeakPolarHBondContact O-CG 3.02Å; E194-L198 PolarHBondContact O-N 3.07Å; E194-R245 IonicContact OE2-NH1 3.3Å; E194-R245 PolarHBondContact OE2-NH1 3.45Å; E194-R245 VanDerWaalsContact OE2-NH1 3.1Å |
| 195 | T | 84 | Confident | 71.9 | Confident | 34 Ų | 34 | 54.8 Ų | 54.8 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 175.1 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | L175 A191 A192 L199 | L175-T195 WeakPolarHBondContact CD1-OG1 3.29Å; A191-T195 WeakPolarHBondContact O-CG2 3.32Å; A191-T195 PolarHBondContact O-N 3.35Å; A191-T195 PolarHBondContact O-OG1 3.31Å; A192-T195 WeakPolarHBondContact CA-OG1 3.27Å; A192-T195 PolarHBondContact O-N 3.09Å; A192-T195 PolarHBondContact O-OG1 3.31Å; T195-L199 PolarHBondContact O-N 2.86Å |
| 196 | V | 84.1 | Confident | 73.5 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.6 | -42 | 175.7 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | V172 A192 S193 E194 L199 L200 A226 A229 L230 L233 | V172-V196 HydrophobicContact CG2-CG2 4.19Å; A192-V196 WeakPolarHBondContact O-CG2 3.42Å; A192-V196 PolarHBondContact O-N 3.45Å; A192-V196 VanDerWaalsContact O-N 3.11Å; S193-V196 PolarHBondContact O-N 3.2Å; E194-V196 VanDerWaalsContact C-N 3.31Å; E194-V196 PolarHBondContact O-N 3.42Å; V196-L199 WeakPolarHBondContact O-CB 3.07Å; V196-L199 PolarHBondContact O-N 3.39Å; V196-L200 WeakPolarHBondContact O-CG 3.47Å; V196-L200 PolarHBondContact O-N 3.47Å; V196-A226 HydrophobicContact CG1-CB 4.38Å; V196-A229 HydrophobicContact CG2-CB 3.57Å; V196-L230 HydrophobicContact CG1-CD2 3.94Å; V196-L230 HydrophobicContact CG1-CG 3.96Å; V196-L233 HydrophobicContact CG2-CD1 4.22Å |
| 197 | F | 83.8 | Confident | 74.9 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 4% | 0.044 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.7 | -38.9 | 176.7 | -72.1 | -59.7 | 0 | 0 | 0 | 112.7 | S193 E194 L199 L200 D201 L242 R245 L246 | S193-F197 WeakPolarHBondContact O-CD2 3.41Å; S193-F197 PolarHBondContact O-N 3.35Å; S193-F197 VanDerWaalsContact O-N 3.08Å; S193-F197 WeakPolarHBondContact OG-CE2 3.35Å; E194-F197 PolarHBondContact O-N 3.07Å; F197-L199 PolarHBondContact O-N 3.2Å; F197-L200 HydrophobicContact CD1-CD1 4.13Å; F197-L200 HydrophobicContact CE1-CD1 4.42Å; F197-L200 PolarHBondContact O-N 2.88Å; F197-L200 VanDerWaalsContact O-N 3.11Å; F197-D201 PolarHBondContact O-N 3.35Å; F197-L242 HydrophobicContact CE2-CD1 3.56Å; F197-L242 HydrophobicContact CZ-CD1 3.62Å; F197-R245 HydrophobicContact CD1-CB 4.24Å; F197-R245 HydrophobicContact CE1-CB 3.59Å; F197-R245 HydrophobicContact CE2-CB 3.86Å; F197-R245 HydrophobicContact CZ-CB 3.38Å; F197-R245 HydrophobicContact CZ-CG 4.5Å; F197-L246 HydrophobicContact CE1-CB 4.3Å; F197-L246 HydrophobicContact CZ-CB 4.47Å |
| 198 | L | 85.9 | Confident | 76.5 | Confident | 91 Ų | 91 | 42.1 Ų | 42.1 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.5 | -35.9 | 171.4 | -72 | 171.1 | 0 | 0 | 0 | 112 | E194 S202 | E194-L198 HydrophobicContact CG-CD1 4.39Å; E194-L198 WeakPolarHBondContact O-CB 3.38Å; E194-L198 VanDerWaalsContact O-CG 3.29Å; E194-L198 WeakPolarHBondContact O-CG 3.02Å; E194-L198 PolarHBondContact O-N 3.07Å; L198-S202 VanDerWaalsContact O-CB 3.27Å; L198-S202 WeakPolarHBondContact O-CB 3.31Å; L198-S202 PolarHBondContact O-N 3.31Å; L198-S202 PolarHBondContact O-OG 3.15Å |
| 199 | L | 85.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.1 | -46.4 | 172.9 | -177.6 | 60.1 | 0 | 0 | 0 | 111.4 | F165 S168 L169 V172 T195 V196 F197 D201 S202 V203 A222 A226 | F165-L199 HydrophobicContact CD2-CD1 4.27Å; F165-L199 HydrophobicContact CE2-CD1 4.24Å; S168-L199 VanDerWaalsContact OG-CD1 3.29Å; S168-L199 WeakPolarHBondContact OG-CD1 3.2Å; L169-L199 HydrophobicContact CB-CD1 4.1Å; L169-L199 HydrophobicContact CD1-CD2 4.42Å; V172-L199 HydrophobicContact CB-CD2 3.93Å; V172-L199 HydrophobicContact CG1-CD2 4.07Å; V172-L199 HydrophobicContact CG2-CB 4.22Å; V172-L199 HydrophobicContact CG2-CD2 3.8Å; T195-L199 PolarHBondContact O-N 2.86Å; V196-L199 WeakPolarHBondContact O-CB 3.07Å; V196-L199 PolarHBondContact O-N 3.39Å; F197-L199 PolarHBondContact O-N 3.2Å; L199-D201 PolarHBondContact O-N 3.14Å; L199-S202 WeakPolarHBondContact CA-OG 3.26Å; L199-S202 PolarHBondContact O-N 2.75Å; L199-S202 PolarHBondContact O-OG 3.38Å; L199-V203 WeakPolarHBondContact O-CG2 3.27Å; L199-V203 PolarHBondContact O-N 3.03Å; L199-A222 HydrophobicContact CD1-CB 4.01Å; L199-A222 HydrophobicContact CD2-CB 4.49Å; L199-A222 HydrophobicContact CG-CB 4.49Å; L199-A226 HydrophobicContact CD2-CB 4.12Å |
| 200 | L | 85.8 | Confident | 77.7 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.5 | -68.1 | 176.1 | 0 | 0 | 0 | 112.6 | V196 F197 S202 V203 A204 A226 L246 A249 L277 | V196-L200 WeakPolarHBondContact O-CG 3.47Å; V196-L200 PolarHBondContact O-N 3.47Å; F197-L200 HydrophobicContact CD1-CD1 4.13Å; F197-L200 HydrophobicContact CE1-CD1 4.42Å; F197-L200 PolarHBondContact O-N 2.88Å; F197-L200 VanDerWaalsContact O-N 3.11Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-V203 WeakPolarHBondContact O-CB 3.3Å; L200-V203 PolarHBondContact O-N 3.14Å; L200-A204 PolarHBondContact O-N 3.31Å; L200-A226 HydrophobicContact CD2-CB 4.1Å; L200-L246 HydrophobicContact CD1-CD1 4.31Å; L200-A249 HydrophobicContact CB-CB 4.49Å; L200-A249 HydrophobicContact CD1-CB 4.16Å; L200-L277 HydrophobicContact CD2-CD1 3.93Å; L200-L277 HydrophobicContact CD2-CD2 3.9Å |
| 201 | D | 85.3 | Confident | 77.5 | Confident | 79 Ų | 79 | 42.6 Ų | 42.6 | 42% | 0.422 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 174.4 | -73.1 | -19 | 0 | 0 | 0 | 110.8 | F197 L199 V203 A204 V205 | F197-D201 PolarHBondContact O-N 3.35Å; L199-D201 PolarHBondContact O-N 3.14Å; D201-V203 VanDerWaalsContact C-N 3.35Å; D201-V203 PolarHBondContact O-N 3.26Å; D201-A204 WeakPolarHBondContact O-CB 3.25Å; D201-A204 PolarHBondContact O-N 2.82Å; D201-A204 VanDerWaalsContact O-N 3.16Å; D201-V205 WeakPolarHBondContact O-CG2 3.38Å; D201-V205 PolarHBondContact O-N 3.45Å |
| 202 | S | 82.3 | Confident | 77.1 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.3 | -35.1 | 176.6 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | F165 S168 L198 L199 L200 V205 A206 | F165-S202 WeakPolarHBondContact CD2-OG 2.88Å; S168-S202 PolarHBondContact OG-OG 2.92Å; L198-S202 VanDerWaalsContact O-CB 3.27Å; L198-S202 WeakPolarHBondContact O-CB 3.31Å; L198-S202 PolarHBondContact O-N 3.31Å; L198-S202 PolarHBondContact O-OG 3.15Å; L199-S202 WeakPolarHBondContact CA-OG 3.26Å; L199-S202 PolarHBondContact O-N 2.75Å; L199-S202 PolarHBondContact O-OG 3.38Å; L200-S202 VanDerWaalsContact C-N 3.34Å; S202-V205 PolarHBondContact O-N 3.35Å; S202-A206 VanDerWaalsContact O-CB 3.27Å; S202-A206 WeakPolarHBondContact O-CB 3.43Å; S202-A206 PolarHBondContact O-N 3.3Å |
| 203 | V | 82.5 | Confident | 76.3 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 170 | 165.8 | 0 | 0 | 0 | 0 | 110 | F165 L199 L200 D201 V205 A206 C207 L219 A222 L253 | F165-V203 HydrophobicContact CD2-CG2 4.35Å; F165-V203 HydrophobicContact CE2-CG2 3.81Å; L199-V203 WeakPolarHBondContact O-CG2 3.27Å; L199-V203 PolarHBondContact O-N 3.03Å; L200-V203 WeakPolarHBondContact O-CB 3.3Å; L200-V203 PolarHBondContact O-N 3.14Å; D201-V203 VanDerWaalsContact C-N 3.35Å; D201-V203 PolarHBondContact O-N 3.26Å; V203-V205 PolarHBondContact O-N 2.92Å; V203-A206 PolarHBondContact O-N 2.98Å; V203-C207 WeakPolarHBondContact O-CB 3.08Å; V203-C207 PolarHBondContact O-N 2.97Å; V203-C207 PolarHBondContact O-SG 3.02Å; V203-L219 HydrophobicContact CB-CD2 4.38Å; V203-L219 HydrophobicContact CG1-CD2 4.09Å; V203-L219 HydrophobicContact CG2-CD2 4.29Å; V203-A222 HydrophobicContact CG2-CB 4.05Å; V203-L253 HydrophobicContact CG1-CD2 4.27Å |
| 204 | A | 81.3 | Confident | 75.5 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 5% | 0.05 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L200 D201 C207 R208 L253 M256 | L200-A204 PolarHBondContact O-N 3.31Å; D201-A204 WeakPolarHBondContact O-CB 3.25Å; D201-A204 PolarHBondContact O-N 2.82Å; D201-A204 VanDerWaalsContact O-N 3.16Å; A204-C207 PolarHBondContact O-N 2.95Å; A204-R208 WeakPolarHBondContact O-CG 3.43Å; A204-R208 PolarHBondContact O-N 3.07Å; A204-L253 HydrophobicContact CB-CD2 3.9Å; A204-M256 HydrophobicContact CB-CE 3.77Å |
| 205 | V | 80.9 | Confident | 74.7 | Confident | 65 Ų | 65 | 46.1 Ų | 46.1 | 39% | 0.394 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 175.2 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | P161 D201 S202 V203 C207 R208 A209 | P161-V205 HydrophobicContact CB-CG1 3.87Å; P161-V205 HydrophobicContact CG-CG1 4.35Å; D201-V205 WeakPolarHBondContact O-CG2 3.38Å; D201-V205 PolarHBondContact O-N 3.45Å; S202-V205 PolarHBondContact O-N 3.35Å; V203-V205 PolarHBondContact O-N 2.92Å; V205-C207 VanDerWaalsContact C-N 3.29Å; V205-C207 PolarHBondContact O-N 3.37Å; V205-R208 PolarHBondContact O-N 3.43Å; V205-A209 PolarHBondContact O-N 2.78Å |
| 206 | A | 74.9 | Confident | 73.9 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S202 V203 R208 A209 L211 L215 L219 | S202-A206 VanDerWaalsContact O-CB 3.27Å; S202-A206 WeakPolarHBondContact O-CB 3.43Å; S202-A206 PolarHBondContact O-N 3.3Å; V203-A206 PolarHBondContact O-N 2.98Å; A206-R208 PolarHBondContact O-N 2.85Å; A206-A209 PolarHBondContact O-N 3.36Å; A206-L211 HydrophobicContact CB-CD2 4.31Å; A206-L211 WeakPolarHBondContact O-CD2 3.17Å; A206-L215 HydrophobicContact CB-CD2 4.02Å; A206-L219 HydrophobicContact CB-CD2 3.85Å |
| 207 | C | 71.7 | Confident | 73.5 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.9 | -18 | 175.8 | -68.6 | 0 | 0 | 0 | 0 | 114.2 | V203 A204 V205 M256 | V203-C207 WeakPolarHBondContact O-CB 3.08Å; V203-C207 PolarHBondContact O-N 2.97Å; V203-C207 PolarHBondContact O-SG 3.02Å; A204-C207 PolarHBondContact O-N 2.95Å; V205-C207 VanDerWaalsContact C-N 3.29Å; V205-C207 PolarHBondContact O-N 3.37Å; C207-M256 HydrophobicContact CB-CE 4.47Å |
| 208 | R | 71.8 | Confident | 73.3 | Confident | 165 Ų | 165 | 50.2 Ų | 50.2 | 62% | 0.623 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -94.3 | -22.9 | 179.2 | -70.1 | 177.8 | 179.9 | 155.4 | 7.2 | 113.8 | A204 V205 A206 M256 | A204-R208 WeakPolarHBondContact O-CG 3.43Å; A204-R208 PolarHBondContact O-N 3.07Å; V205-R208 PolarHBondContact O-N 3.43Å; A206-R208 PolarHBondContact O-N 2.85Å; R208-M256 HydrophobicContact CG-SD 3.58Å; R208-M256 VanDerWaalsContact CG-SD 3.58Å; R208-M256 PolarHBondContact NE-SD 2.83Å |
| 209 | A | 64.5 | Low | 73.2 | Confident | 39 Ų | 39 | 45.9 Ų | 45.9 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -92.7 | 156.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V205 A206 L211 | V205-A209 PolarHBondContact O-N 2.78Å; A206-A209 PolarHBondContact O-N 3.36Å; A209-L211 PolarHBondContact O-N 3.13Å |
| 210 | P | 57.2 | Low | 73.1 | Confident | 127 Ų | 127 | 46.5 Ų | 46.5 | 83% | 0.825 | 27% | 0.271 | S | S | * | . | trans | -63.2 | 106.1 | 168.2 | 24.9 | -30.7 | 0 | 0 | 0 | 109.3 | ||||
| 211 | L | 62.5 | Low | 73 | Confident | 41 Ų | 41 | 50.7 Ų | 50.7 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 130.1 | -171.2 | -69.8 | 159.2 | 0 | 0 | 0 | 111.6 | A206 A209 L215 P216 L219 A266 | A206-L211 HydrophobicContact CB-CD2 4.31Å; A206-L211 WeakPolarHBondContact O-CD2 3.17Å; A209-L211 PolarHBondContact O-N 3.13Å; L211-L215 HydrophobicContact CD2-CB 4.43Å; L211-L215 HydrophobicContact CD2-CD2 3.58Å; L211-L215 HydrophobicContact CD2-CG 4.33Å; L211-P216 HydrophobicContact CB-CG 3.86Å; L211-P216 HydrophobicContact CD1-CB 4.19Å; L211-P216 HydrophobicContact CD1-CG 3.89Å; L211-P216 HydrophobicContact CG-CG 4.32Å; L211-L219 HydrophobicContact CD2-CD1 4.46Å; L211-A266 HydrophobicContact CD1-CB 4.08Å |
| 212 | L | 60.6 | Low | 72.9 | Confident | 81 Ų | 81 | 46.9 Ų | 46.9 | 42% | 0.424 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 149.8 | 167.2 | -87.9 | 90.5 | 0 | 0 | 0 | 110.9 | H162 G214 L215 P216 | H162-L212 WeakPolarHBondContact NE2-CD1 3.4Å; L212-G214 PolarHBondContact O-N 3.46Å; L212-L215 PolarHBondContact O-N 2.94Å; L212-P216 VanDerWaalsContact O-CD 3.29Å; L212-P216 WeakPolarHBondContact O-CD 3.49Å |
| 213 | P | 56.1 | Low | 73.1 | Confident | 130 Ų | 130 | 46.3 Ų | 46.3 | 84% | 0.844 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 127.2 | 173.2 | -22.9 | 32.4 | 0 | 0 | 0 | 111.5 | ||
| 214 | G | 60.9 | Low | 73.4 | Confident | 38 Ų | 38 | 51.4 Ų | 51.4 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | -28.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116 | L212 D217 | L212-G214 PolarHBondContact O-N 3.46Å; G214-D217 PolarHBondContact O-N 3.27Å |
| 215 | L | 66.4 | Low | 73.5 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 173.9 | -163.7 | 78.3 | 0 | 0 | 0 | 114.3 | H162 F165 A206 L211 L212 D217 L218 L219 | H162-L215 WeakPolarHBondContact CD2-CD2 3.4Å; H162-L215 WeakPolarHBondContact NE2-CD2 3.33Å; F165-L215 HydrophobicContact CD1-CD1 3.71Å; F165-L215 HydrophobicContact CE1-CD1 3.79Å; A206-L215 HydrophobicContact CB-CD2 4.02Å; L211-L215 HydrophobicContact CD2-CB 4.43Å; L211-L215 HydrophobicContact CD2-CD2 3.58Å; L211-L215 HydrophobicContact CD2-CG 4.33Å; L212-L215 PolarHBondContact O-N 2.94Å; L215-D217 PolarHBondContact O-N 3.24Å; L215-D217 VanDerWaalsContact O-N 3.14Å; L215-L218 HydrophobicContact CD1-CD1 4.46Å; L215-L218 WeakPolarHBondContact O-CB 3.43Å; L215-L218 PolarHBondContact O-N 3.01Å; L215-L219 PolarHBondContact O-N 3.13Å |
| 216 | P | 68.8 | Low | 73.8 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.6 | -27.7 | 179.7 | -17.3 | 24.8 | 0 | 0 | 0 | 113.3 | L211 L212 L218 P220 K269 | L211-P216 HydrophobicContact CB-CG 3.86Å; L211-P216 HydrophobicContact CD1-CB 4.19Å; L211-P216 HydrophobicContact CD1-CG 3.89Å; L211-P216 HydrophobicContact CG-CG 4.32Å; L212-P216 VanDerWaalsContact O-CD 3.29Å; L212-P216 WeakPolarHBondContact O-CD 3.49Å; P216-L218 VanDerWaalsContact C-N 3.34Å; P216-P220 WeakPolarHBondContact O-CD 3.35Å; P216-K269 HydrophobicContact CB-CB 4.47Å; P216-K269 HydrophobicContact CB-CG 3.81Å; P216-K269 WeakPolarHBondContact O-CD 3.37Å |
| 217 | D | 75.3 | Confident | 74.3 | Confident | 75 Ų | 75 | 48.3 Ų | 48.3 | 40% | 0.401 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -80.7 | -18.3 | -179.4 | -60.2 | -48.4 | 0 | 0 | 0 | 112.3 | G214 L215 R265 K269 | G214-D217 PolarHBondContact O-N 3.27Å; L215-D217 PolarHBondContact O-N 3.24Å; L215-D217 VanDerWaalsContact O-N 3.14Å; D217-R265 IonicContact OD2-NH2 3.22Å; D217-R265 PolarHBondContact OD2-NH2 3.5Å; D217-K269 WeakPolarHBondContact OD1-CE 3.44Å; D217-K269 IonicContact OD1-NZ 3.52Å; D217-K269 PolarHBondContact OD1-NZ 3.16Å |
| 218 | L | 79.4 | Confident | 74.9 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -83.6 | -18.8 | 173.6 | -63.7 | 174.9 | 0 | 0 | 0 | 113 | F165 L166 L215 P216 Q221 A222 | F165-L218 HydrophobicContact CE1-CB 3.91Å; F165-L218 HydrophobicContact CE1-CD1 4.35Å; F165-L218 HydrophobicContact CZ-CB 4.05Å; L166-L218 HydrophobicContact CD2-CD1 4.02Å; L215-L218 HydrophobicContact CD1-CD1 4.46Å; L215-L218 WeakPolarHBondContact O-CB 3.43Å; L215-L218 PolarHBondContact O-N 3.01Å; P216-L218 VanDerWaalsContact C-N 3.34Å; L218-Q221 PolarHBondContact O-N 2.99Å; L218-A222 WeakPolarHBondContact O-CB 3.26Å; L218-A222 PolarHBondContact O-N 3.04Å |
| 219 | L | 83.2 | Confident | 75.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.3 | -49 | -179.2 | -68.5 | 168.3 | 0 | 0 | 0 | 112.9 | F165 V203 A206 L211 L215 Q221 A222 S223 K269 | F165-L219 HydrophobicContact CE2-CD2 4.25Å; V203-L219 HydrophobicContact CB-CD2 4.38Å; V203-L219 HydrophobicContact CG1-CD2 4.09Å; V203-L219 HydrophobicContact CG2-CD2 4.29Å; A206-L219 HydrophobicContact CB-CD2 3.85Å; L211-L219 HydrophobicContact CD2-CD1 4.46Å; L215-L219 PolarHBondContact O-N 3.13Å; L219-Q221 VanDerWaalsContact C-N 3.26Å; L219-Q221 PolarHBondContact O-N 3.32Å; L219-A222 PolarHBondContact O-N 3.1Å; L219-S223 PolarHBondContact O-N 3.31Å; L219-S223 PolarHBondContact O-OG 2.78Å; L219-K269 HydrophobicContact CD1-CB 4.33Å |
| 220 | P | 83.1 | Confident | 76.3 | Confident | 13 Ų | 13 | 44 Ų | 44 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.1 | -26.2 | 176.8 | -18.7 | 33.7 | 0 | 0 | 0 | 113 | P216 S223 R224 E272 | P216-P220 WeakPolarHBondContact O-CD 3.35Å; P220-S223 WeakPolarHBondContact CA-OG 3.31Å; P220-S223 PolarHBondContact O-OG 3.1Å; P220-S223 VanDerWaalsContact O-OG 3.14Å; P220-R224 WeakPolarHBondContact O-CB 3.42Å; P220-R224 PolarHBondContact O-N 2.93Å; P220-R224 VanDerWaalsContact O-N 3.13Å; P220-E272 HydrophobicContact CB-CB 4.31Å; P220-E272 HydrophobicContact CG-CB 3.88Å |
| 221 | Q | 84.5 | Confident | 77.6 | Confident | 90 Ų | 90 | 40.4 Ų | 40.4 | 42% | 0.421 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -72.6 | -42.2 | 174.7 | -176.5 | 177.3 | -9.3 | 0 | 0 | 111.1 | L218 L219 R224 A225 | L218-Q221 PolarHBondContact O-N 2.99Å; L219-Q221 VanDerWaalsContact C-N 3.26Å; L219-Q221 PolarHBondContact O-N 3.32Å; Q221-R224 PolarHBondContact O-N 2.57Å; Q221-A225 PolarHBondContact O-N 2.96Å |
| 222 | A | 84.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | F165 L169 L199 V203 L218 L219 R224 A225 A226 | F165-A222 HydrophobicContact CE2-CB 3.58Å; F165-A222 HydrophobicContact CZ-CB 3.61Å; L169-A222 HydrophobicContact CD1-CB 3.83Å; L199-A222 HydrophobicContact CD1-CB 4.01Å; L199-A222 HydrophobicContact CD2-CB 4.49Å; L199-A222 HydrophobicContact CG-CB 4.49Å; V203-A222 HydrophobicContact CG2-CB 4.05Å; L218-A222 WeakPolarHBondContact O-CB 3.26Å; L218-A222 PolarHBondContact O-N 3.04Å; L219-A222 PolarHBondContact O-N 3.1Å; A222-R224 VanDerWaalsContact C-N 3.29Å; A222-R224 PolarHBondContact O-N 3.31Å; A222-A225 PolarHBondContact O-N 3.4Å; A222-A226 WeakPolarHBondContact O-CB 3.49Å; A222-A226 PolarHBondContact O-N 3.23Å |
| 223 | S | 86.3 | Confident | 79.1 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.3 | -30.3 | 176.6 | 68.3 | 0 | 0 | 0 | 0 | 112.8 | L219 P220 A226 S227 S273 A276 | L219-S223 PolarHBondContact O-N 3.31Å; L219-S223 PolarHBondContact O-OG 2.78Å; P220-S223 WeakPolarHBondContact CA-OG 3.31Å; P220-S223 PolarHBondContact O-OG 3.1Å; P220-S223 VanDerWaalsContact O-OG 3.14Å; S223-A226 PolarHBondContact O-N 3.45Å; S223-S227 PolarHBondContact O-N 3.26Å; S223-S227 PolarHBondContact O-OG 2.95Å; S223-S273 VanDerWaalsContact CB-O 3.29Å; S223-S273 WeakPolarHBondContact CB-O 3.46Å; S223-S273 WeakPolarHBondContact OG-CA 3.29Å; S223-S273 PolarHBondContact OG-O 3.45Å; S223-A276 WeakPolarHBondContact OG-CB 3.33Å |
| 224 | R | 87.8 | Confident | 80 | Confident | 108 Ų | 108 | 34.8 Ų | 34.8 | 41% | 0.408 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -70.1 | -38.2 | 171.7 | -166.9 | 176.5 | -62.8 | 109.4 | 2.4 | 112.8 | P220 Q221 A222 S227 R228 A276 | P220-R224 WeakPolarHBondContact O-CB 3.42Å; P220-R224 PolarHBondContact O-N 2.93Å; P220-R224 VanDerWaalsContact O-N 3.13Å; Q221-R224 PolarHBondContact O-N 2.57Å; A222-R224 VanDerWaalsContact C-N 3.29Å; A222-R224 PolarHBondContact O-N 3.31Å; R224-S227 WeakPolarHBondContact CA-OG 3.33Å; R224-S227 PolarHBondContact O-N 3.29Å; R224-S227 PolarHBondContact O-OG 3.48Å; R224-R228 WeakPolarHBondContact O-CG 3.38Å; R224-R228 PolarHBondContact O-N 3.31Å; R224-A276 HydrophobicContact CB-CB 4.33Å |
| 225 | A | 84.6 | Confident | 80.2 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L169 V172 Q173 Q221 A222 A229 | L169-A225 HydrophobicContact CD1-CB 4.09Å; V172-A225 HydrophobicContact CG1-CB 4.04Å; Q173-A225 HydrophobicContact CG-CB 4.23Å; Q221-A225 PolarHBondContact O-N 2.96Å; A222-A225 PolarHBondContact O-N 3.4Å; A225-A229 PolarHBondContact O-N 2.89Å; A225-A229 VanDerWaalsContact O-N 3.08Å |
| 226 | A | 85.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V196 L199 L200 A222 S223 A229 L230 L277 | V196-A226 HydrophobicContact CG1-CB 4.38Å; L199-A226 HydrophobicContact CD2-CB 4.12Å; L200-A226 HydrophobicContact CD2-CB 4.1Å; A222-A226 WeakPolarHBondContact O-CB 3.49Å; A222-A226 PolarHBondContact O-N 3.23Å; S223-A226 PolarHBondContact O-N 3.45Å; A226-A229 PolarHBondContact O-N 3.5Å; A226-L230 WeakPolarHBondContact O-CB 3.29Å; A226-L230 VanDerWaalsContact O-CG 3.25Å; A226-L230 WeakPolarHBondContact O-CG 3.37Å; A226-L230 PolarHBondContact O-N 3.44Å; A226-L277 HydrophobicContact CB-CD1 4.21Å |
| 227 | S | 86.1 | Confident | 80.1 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 179.7 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | S223 R224 L230 D231 A276 L277 | S223-S227 PolarHBondContact O-N 3.26Å; S223-S227 PolarHBondContact O-OG 2.95Å; R224-S227 WeakPolarHBondContact CA-OG 3.33Å; R224-S227 PolarHBondContact O-N 3.29Å; R224-S227 PolarHBondContact O-OG 3.48Å; S227-L230 WeakPolarHBondContact O-CB 3.49Å; S227-L230 PolarHBondContact O-N 2.83Å; S227-D231 PolarHBondContact O-N 3.35Å; S227-A276 WeakPolarHBondContact CB-O 3.3Å; S227-A276 PolarHBondContact OG-O 3.4Å; S227-A276 VanDerWaalsContact OG-O 3.04Å; S227-L277 WeakPolarHBondContact CB-O 3.44Å |
| 228 | R | 84.3 | Confident | 79.8 | Confident | 126 Ų | 126 | 49.7 Ų | 49.7 | 48% | 0.475 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 173.7 | -69.1 | 175.6 | -176.4 | -170.2 | -1.4 | 112.6 | D176 R224 L230 D231 L232 | D176-R228 VanDerWaalsContact OD2-CD 3.31Å; D176-R228 WeakPolarHBondContact OD2-CD 3.48Å; D176-R228 IonicContact OD2-NH1 2.83Å; D176-R228 PolarHBondContact OD2-NH1 3.42Å; D176-R228 VanDerWaalsContact OD2-NH1 3.1Å; R224-R228 WeakPolarHBondContact O-CG 3.38Å; R224-R228 PolarHBondContact O-N 3.31Å; R228-L230 VanDerWaalsContact C-N 3.31Å; R228-L230 PolarHBondContact O-N 3.13Å; R228-D231 PolarHBondContact O-N 3.33Å; R228-L232 WeakPolarHBondContact O-CG 3.4Å; R228-L232 PolarHBondContact O-N 3.39Å; R228-L232 VanDerWaalsContact O-N 3.08Å |
| 229 | A | 81.6 | Confident | 79.8 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 7% | 0.066 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V172 V196 A225 A226 L232 L233 | V172-A229 HydrophobicContact CG1-CB 3.88Å; V196-A229 HydrophobicContact CG2-CB 3.57Å; A225-A229 PolarHBondContact O-N 2.89Å; A225-A229 VanDerWaalsContact O-N 3.08Å; A226-A229 PolarHBondContact O-N 3.5Å; A229-L232 PolarHBondContact O-N 2.98Å; A229-L233 WeakPolarHBondContact O-CB 3.36Å; A229-L233 VanDerWaalsContact O-CG 3.25Å; A229-L233 WeakPolarHBondContact O-CG 3.42Å; A229-L233 PolarHBondContact O-N 3.37Å |
| 230 | L | 84.3 | Confident | 79.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 173.4 | -74.1 | 170.6 | 0 | 0 | 0 | 111.8 | V196 A226 S227 R228 L232 L233 C234 L246 L277 | V196-L230 HydrophobicContact CG1-CD2 3.94Å; V196-L230 HydrophobicContact CG1-CG 3.96Å; A226-L230 WeakPolarHBondContact O-CB 3.29Å; A226-L230 VanDerWaalsContact O-CG 3.25Å; A226-L230 WeakPolarHBondContact O-CG 3.37Å; A226-L230 PolarHBondContact O-N 3.44Å; S227-L230 WeakPolarHBondContact O-CB 3.49Å; S227-L230 PolarHBondContact O-N 2.83Å; R228-L230 VanDerWaalsContact C-N 3.31Å; R228-L230 PolarHBondContact O-N 3.13Å; L230-L232 VanDerWaalsContact C-N 3.35Å; L230-L232 PolarHBondContact O-N 3.31Å; L230-L233 PolarHBondContact O-N 3.21Å; L230-C234 WeakPolarHBondContact O-CB 3.36Å; L230-C234 PolarHBondContact O-N 3.14Å; L230-C234 PolarHBondContact O-SG 3.41Å; L230-L246 HydrophobicContact CD1-CD1 3.65Å; L230-L246 HydrophobicContact CD1-CD2 4.34Å; L230-L246 HydrophobicContact CD2-CD1 4.35Å; L230-L246 HydrophobicContact CD2-CD2 4.42Å; L230-L277 HydrophobicContact CD1-CD1 4.12Å |
| 231 | D | 83.7 | Confident | 79.6 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 28% | 0.278 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 175 | -76.1 | -36 | 0 | 0 | 0 | 111.2 | S227 R228 L233 C234 C235 S280 S281 | S227-D231 PolarHBondContact O-N 3.35Å; R228-D231 PolarHBondContact O-N 3.33Å; D231-L233 PolarHBondContact O-N 2.97Å; D231-C234 CarbonylContact O-C 3.38Å; D231-C234 PolarHBondContact O-N 2.93Å; D231-C234 VanDerWaalsContact O-N 3.13Å; D231-C235 PolarHBondContact O-N 2.68Å; D231-C235 PolarHBondContact O-SG 2.87Å; D231-S280 VanDerWaalsContact CG-CB 3.41Å; D231-S280 WeakPolarHBondContact OD1-CA 2.96Å; D231-S280 WeakPolarHBondContact OD1-CB 3.22Å; D231-S280 PolarHBondContact OD1-OG 3.09Å; D231-S280 WeakPolarHBondContact OD2-CA 3.5Å; D231-S280 WeakPolarHBondContact OD2-CB 3.48Å; D231-S281 PolarHBondContact OD1-N 3.09Å |
| 232 | L | 80.3 | Confident | 79.4 | Confident | 78 Ų | 78 | 58 Ų | 58 | 41% | 0.408 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 176 | -66.2 | 174.6 | 0 | 0 | 0 | 112.5 | L182 R228 A229 L230 C234 | L182-L232 HydrophobicContact CD1-CB 4.03Å; L182-L232 HydrophobicContact CD1-CD1 4.28Å; R228-L232 WeakPolarHBondContact O-CG 3.4Å; R228-L232 PolarHBondContact O-N 3.39Å; R228-L232 VanDerWaalsContact O-N 3.08Å; A229-L232 PolarHBondContact O-N 2.98Å; L230-L232 VanDerWaalsContact C-N 3.35Å; L230-L232 PolarHBondContact O-N 3.31Å; L232-C234 PolarHBondContact O-N 2.83Å |
| 233 | L | 75.5 | Confident | 79.3 | Confident | 43 Ų | 43 | 60.5 Ų | 60.5 | 23% | 0.225 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.9 | -23.8 | 176.3 | -67.6 | 171.5 | 0 | 0 | 0 | 112.8 | L182 A192 V196 A229 L230 D231 L242 | L182-L233 HydrophobicContact CD2-CD2 4.08Å; A192-L233 HydrophobicContact CB-CD2 4.15Å; V196-L233 HydrophobicContact CG2-CD1 4.22Å; A229-L233 WeakPolarHBondContact O-CB 3.36Å; A229-L233 VanDerWaalsContact O-CG 3.25Å; A229-L233 WeakPolarHBondContact O-CG 3.42Å; A229-L233 PolarHBondContact O-N 3.37Å; L230-L233 PolarHBondContact O-N 3.21Å; D231-L233 PolarHBondContact O-N 2.97Å; L233-L242 HydrophobicContact CB-CD2 4.41Å |
| 234 | C | 73.3 | Confident | 79.3 | Confident | 14 Ų | 14 | 69.5 Ų | 69.5 | 10% | 0.095 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 11.3 | -176.5 | -61.3 | 0 | 0 | 0 | 0 | 114.1 | L230 D231 L232 G236 V282 | L230-C234 WeakPolarHBondContact O-CB 3.36Å; L230-C234 PolarHBondContact O-N 3.14Å; L230-C234 PolarHBondContact O-SG 3.41Å; D231-C234 CarbonylContact O-C 3.38Å; D231-C234 PolarHBondContact O-N 2.93Å; D231-C234 VanDerWaalsContact O-N 3.13Å; L232-C234 PolarHBondContact O-N 2.83Å; C234-G236 PolarHBondContact O-N 3.16Å; C234-G236 VanDerWaalsContact O-O 3.1Å; C234-V282 HydrophobicContact CB-CB 4.38Å; C234-V282 HydrophobicContact CB-CG2 3.65Å |
| 235 | C | 65.5 | Low | 79.2 | Confident | 109 Ų | 109 | 70.7 Ų | 70.7 | 74% | 0.736 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -59.5 | -8.7 | 175.6 | -74.2 | 0 | 0 | 0 | 0 | 113.7 | D231 | D231-C235 PolarHBondContact O-N 2.68Å; D231-C235 PolarHBondContact O-SG 2.87Å |
| 236 | G | 67.2 | Low | 79.3 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 60% | 0.598 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -126.5 | -146 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C234 P238 | C234-G236 PolarHBondContact O-N 3.16Å; C234-G236 VanDerWaalsContact O-O 3.1Å; G236-P238 WeakPolarHBondContact O-CD 3.3Å |
| 237 | R | 66.4 | Low | 79.5 | Confident | 249 Ų | 249 | 72.1 Ų | 72.1 | 94% | 0.94 | 36% | 0.357 | S | S | * | . | trans | -80.7 | 108.4 | 169.1 | -74.9 | -172 | -179.5 | -176.4 | 1.1 | 108.9 | ||||
| 238 | P | 69.6 | Low | 79.6 | Confident | 29 Ų | 29 | 75.7 Ų | 75.7 | 19% | 0.188 | 37% | 0.373 | C | S | . | . | trans | -61.8 | 145.1 | 176.3 | 26.1 | -33.9 | 0 | 0 | 0 | 109.8 | G236 L242 | G236-P238 WeakPolarHBondContact O-CD 3.3Å; P238-L242 HydrophobicContact CB-CD2 3.95Å | ||
| 239 | S | 77.9 | Confident | 79.7 | Confident | 66 Ų | 66 | 70.2 Ų | 70.2 | 46% | 0.462 | 35% | 0.354 | S | S | . | . | trans | -60.9 | 148.9 | 174.4 | 67.5 | 0 | 0 | 0 | 0 | 110.4 | D241 L242 R243 | S239-D241 PolarHBondContact O-N 2.92Å; S239-L242 PolarHBondContact O-N 2.89Å; S239-L242 WeakPolarHBondContact OG-CB 3.36Å; S239-L242 PolarHBondContact OG-N 3.37Å; S239-R243 PolarHBondContact O-N 3.12Å | ||
| 240 | L | 80.4 | Confident | 80.1 | Confident | 140 Ų | 140 | 69.9 Ų | 69.9 | 73% | 0.733 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59 | -37.9 | 179.2 | -175.4 | 67.1 | 0 | 0 | 0 | 111.2 | R243 R244 | L240-R243 PolarHBondContact O-N 3.31Å; L240-R244 WeakPolarHBondContact O-CB 3.2Å; L240-R244 PolarHBondContact O-N 3.23Å |
| 241 | D | 82.8 | Confident | 80.3 | Confident | 108 Ų | 108 | 73.3 Ų | 73.3 | 58% | 0.578 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.4 | -42.2 | 178.4 | -61.7 | -41.4 | 0 | 0 | 0 | 112.3 | S239 R244 R245 | S239-D241 PolarHBondContact O-N 2.92Å; D241-R244 PolarHBondContact O-N 2.61Å; D241-R245 WeakPolarHBondContact O-CB 3.48Å; D241-R245 WeakPolarHBondContact O-CG 3.36Å; D241-R245 PolarHBondContact O-N 3.29Å |
| 242 | L | 79.9 | Confident | 80.6 | Confident | 14 Ų | 14 | 73.8 Ų | 73.8 | 7% | 0.073 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 174.1 | 177.8 | 72.4 | 0 | 0 | 0 | 110.4 | S193 F197 L233 P238 S239 R244 R245 L246 | S193-L242 WeakPolarHBondContact OG-CD1 3.29Å; F197-L242 HydrophobicContact CE2-CD1 3.56Å; F197-L242 HydrophobicContact CZ-CD1 3.62Å; L233-L242 HydrophobicContact CB-CD2 4.41Å; P238-L242 HydrophobicContact CB-CD2 3.95Å; S239-L242 PolarHBondContact O-N 2.89Å; S239-L242 WeakPolarHBondContact OG-CB 3.36Å; S239-L242 PolarHBondContact OG-N 3.37Å; L242-R244 PolarHBondContact O-N 2.96Å; L242-R245 PolarHBondContact O-N 2.92Å; L242-L246 VanDerWaalsContact O-CB 3.3Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 PolarHBondContact O-N 3.29Å |
| 243 | R | 82.6 | Confident | 80.8 | Confident | 53 Ų | 53 | 70.2 Ų | 70.2 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 178.3 | -173.3 | 178.7 | -179.9 | 176.4 | 3.2 | 111.7 | S239 L240 L246 E247 L286 E347 | S239-R243 PolarHBondContact O-N 3.12Å; L240-R243 PolarHBondContact O-N 3.31Å; R243-L246 PolarHBondContact O-N 2.85Å; R243-E247 WeakPolarHBondContact O-CB 3.22Å; R243-E247 PolarHBondContact O-N 3.09Å; R243-L286 HydrophobicContact CG-CD1 4.4Å; R243-E347 IonicContact CZ-OE2 3.51Å; R243-E347 IonicContact NH1-OE2 2.78Å; R243-E347 PolarHBondContact NH1-OE2 3.34Å; R243-E347 IonicContact NH2-OE2 3.73Å; R243-E347 PolarHBondContact NH2-OE2 3.42Å |
| 244 | R | 86.2 | Confident | 81.4 | Confident | 191 Ų | 191 | 68.2 Ų | 68.2 | 72% | 0.721 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.3 | -44.7 | 179.4 | -175.8 | 179.8 | 174.9 | -176.9 | -0.7 | 112 | L240 D241 L242 L246 E247 E248 | L240-R244 WeakPolarHBondContact O-CB 3.2Å; L240-R244 PolarHBondContact O-N 3.23Å; D241-R244 PolarHBondContact O-N 2.61Å; L242-R244 PolarHBondContact O-N 2.96Å; R244-L246 VanDerWaalsContact C-N 3.35Å; R244-E247 PolarHBondContact O-N 2.92Å; R244-E248 WeakPolarHBondContact O-CB 3.36Å; R244-E248 PolarHBondContact O-N 2.77Å |
| 245 | R | 85.1 | Confident | 82.1 | Confident | 134 Ų | 134 | 71 Ų | 71 | 51% | 0.506 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 176.1 | -74.2 | -175.6 | 179.6 | -150.2 | 3.6 | 111.7 | E194 F197 D241 L242 E248 A249 | E194-R245 IonicContact OE2-NH1 3.3Å; E194-R245 PolarHBondContact OE2-NH1 3.45Å; E194-R245 VanDerWaalsContact OE2-NH1 3.1Å; F197-R245 HydrophobicContact CD1-CB 4.24Å; F197-R245 HydrophobicContact CE1-CB 3.59Å; F197-R245 HydrophobicContact CE2-CB 3.86Å; F197-R245 HydrophobicContact CZ-CB 3.38Å; F197-R245 HydrophobicContact CZ-CG 4.5Å; D241-R245 WeakPolarHBondContact O-CB 3.48Å; D241-R245 WeakPolarHBondContact O-CG 3.36Å; D241-R245 PolarHBondContact O-N 3.29Å; L242-R245 PolarHBondContact O-N 2.92Å; R245-E248 PolarHBondContact O-N 3.31Å; R245-A249 WeakPolarHBondContact O-CB 3.43Å; R245-A249 PolarHBondContact O-N 2.82Å |
| 246 | L | 86.8 | Confident | 83 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -47.9 | 175 | 178.8 | 61 | 0 | 0 | 0 | 111.4 | F197 L200 L230 L242 R243 R244 E248 A249 L250 V282 L286 | F197-L246 HydrophobicContact CE1-CB 4.3Å; F197-L246 HydrophobicContact CZ-CB 4.47Å; L200-L246 HydrophobicContact CD1-CD1 4.31Å; L230-L246 HydrophobicContact CD1-CD1 3.65Å; L230-L246 HydrophobicContact CD1-CD2 4.34Å; L230-L246 HydrophobicContact CD2-CD1 4.35Å; L230-L246 HydrophobicContact CD2-CD2 4.42Å; L242-L246 VanDerWaalsContact O-CB 3.3Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 PolarHBondContact O-N 3.29Å; R243-L246 PolarHBondContact O-N 2.85Å; R244-L246 VanDerWaalsContact C-N 3.35Å; L246-E248 VanDerWaalsContact C-N 3.26Å; L246-E248 PolarHBondContact O-N 3.18Å; L246-A249 PolarHBondContact O-N 3.36Å; L246-L250 HydrophobicContact CD1-CD1 3.98Å; L246-L250 HydrophobicContact CD1-CD2 4.4Å; L246-L250 HydrophobicContact CD1-CG 4Å; L246-L250 HydrophobicContact CG-CD1 3.85Å; L246-L250 HydrophobicContact CG-CG 4.3Å; L246-L250 WeakPolarHBondContact O-CB 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 2.83Å; L246-V282 HydrophobicContact CD2-CG1 4.1Å; L246-L286 HydrophobicContact CD2-CD1 3.83Å; L246-L286 HydrophobicContact CG-CD1 4.04Å |
| 247 | E | 89 | Confident | 83.8 | Confident | 39 Ų | 39 | 64.3 Ų | 64.3 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.5 | -41.5 | 177.4 | -174.4 | 177.9 | 152.1 | 0 | 0 | 111.9 | R243 R244 L250 R251 R289 L290 | R243-E247 WeakPolarHBondContact O-CB 3.22Å; R243-E247 PolarHBondContact O-N 3.09Å; R244-E247 PolarHBondContact O-N 2.92Å; E247-L250 PolarHBondContact O-N 3.36Å; E247-R251 VanDerWaalsContact O-CB 3.26Å; E247-R251 WeakPolarHBondContact O-CB 3.18Å; E247-R251 PolarHBondContact O-N 3.02Å; E247-R251 IonicContact OE1-CZ 3.94Å; E247-R251 IonicContact OE1-NH1 3.1Å; E247-R251 IonicContact OE1-NH2 3.06Å; E247-R251 PolarHBondContact OE1-NH2 2.92Å; E247-R289 VanDerWaalsContact CD-NH2 3.32Å; E247-R289 IonicContact OE1-NH2 2.68Å; E247-R289 IonicContact OE2-NH2 2.59Å; E247-R289 PolarHBondContact OE2-NH2 2.89Å; E247-L290 HydrophobicContact CG-CD1 4.42Å; E247-L290 HydrophobicContact CG-CD2 4.39Å |
| 248 | E | 89.9 | Confident | 84.5 | Confident | 77 Ų | 77 | 52.6 Ų | 52.6 | 36% | 0.36 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.9 | -44.5 | 178.8 | -172.5 | 53.2 | -149.4 | 0 | 0 | 112.3 | R244 R245 L246 L250 R251 Q252 | R244-E248 WeakPolarHBondContact O-CB 3.36Å; R244-E248 PolarHBondContact O-N 2.77Å; R245-E248 PolarHBondContact O-N 3.31Å; L246-E248 VanDerWaalsContact C-N 3.26Å; L246-E248 PolarHBondContact O-N 3.18Å; E248-L250 VanDerWaalsContact C-N 3.35Å; E248-L250 PolarHBondContact O-N 2.87Å; E248-R251 PolarHBondContact O-N 3.35Å; E248-R251 IonicContact OE2-NH1 2.88Å; E248-R251 PolarHBondContact OE2-NH1 3.3Å; E248-Q252 VanDerWaalsContact O-CG 3.29Å; E248-Q252 WeakPolarHBondContact O-CG 3.36Å; E248-Q252 PolarHBondContact O-N 3.47Å; E248-Q252 PolarHBondContact OE1-NE2 2.76Å; E248-Q252 VanDerWaalsContact OE1-NE2 3.17Å |
| 249 | A | 86.1 | Confident | 85.1 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L200 R245 L246 Q252 L253 | L200-A249 HydrophobicContact CB-CB 4.49Å; L200-A249 HydrophobicContact CD1-CB 4.16Å; R245-A249 WeakPolarHBondContact O-CB 3.43Å; R245-A249 PolarHBondContact O-N 2.82Å; L246-A249 PolarHBondContact O-N 3.36Å; A249-Q252 PolarHBondContact O-N 3.28Å; A249-L253 WeakPolarHBondContact O-CG 3.38Å; A249-L253 PolarHBondContact O-N 2.99Å |
| 250 | L | 88.9 | Confident | 84.9 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.8 | -66.3 | 173.3 | 0 | 0 | 0 | 112 | L246 E247 E248 Q252 L253 T254 L277 L286 L287 L290 | L246-L250 HydrophobicContact CD1-CD1 3.98Å; L246-L250 HydrophobicContact CD1-CD2 4.4Å; L246-L250 HydrophobicContact CD1-CG 4Å; L246-L250 HydrophobicContact CG-CD1 3.85Å; L246-L250 HydrophobicContact CG-CG 4.3Å; L246-L250 WeakPolarHBondContact O-CB 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 2.83Å; E247-L250 PolarHBondContact O-N 3.36Å; E248-L250 VanDerWaalsContact C-N 3.35Å; E248-L250 PolarHBondContact O-N 2.87Å; L250-Q252 VanDerWaalsContact C-N 3.34Å; L250-L253 PolarHBondContact O-N 3Å; L250-T254 WeakPolarHBondContact O-CB 3.47Å; L250-T254 PolarHBondContact O-N 3.21Å; L250-T254 PolarHBondContact O-OG1 3.16Å; L250-L277 HydrophobicContact CD2-CD2 3.19Å; L250-L277 HydrophobicContact CD2-CG 3.83Å; L250-L286 HydrophobicContact CD1-CB 3.79Å; L250-L286 HydrophobicContact CD1-CD1 4.28Å; L250-L287 HydrophobicContact CB-CD2 4.09Å; L250-L287 HydrophobicContact CD1-CD2 4.44Å; L250-L287 HydrophobicContact CD1-CG 4.06Å; L250-L287 HydrophobicContact CD2-CD1 4.11Å; L250-L287 HydrophobicContact CD2-CD2 3.77Å; L250-L287 HydrophobicContact CD2-CG 3.84Å; L250-L287 HydrophobicContact CG-CD2 4.31Å; L250-L287 HydrophobicContact CG-CG 4.38Å; L250-L290 HydrophobicContact CB-CD1 3.71Å |
| 251 | R | 90.1 | Very high | 84 | Confident | 74 Ų | 74 | 52.7 Ų | 52.7 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 175.5 | -179.3 | -179.4 | -73 | 122.9 | 3.4 | 110.5 | E247 E248 L253 T254 Q255 L290 | E247-R251 VanDerWaalsContact O-CB 3.26Å; E247-R251 WeakPolarHBondContact O-CB 3.18Å; E247-R251 PolarHBondContact O-N 3.02Å; E247-R251 IonicContact OE1-CZ 3.94Å; E247-R251 IonicContact OE1-NH1 3.1Å; E247-R251 IonicContact OE1-NH2 3.06Å; E247-R251 PolarHBondContact OE1-NH2 2.92Å; E248-R251 PolarHBondContact O-N 3.35Å; E248-R251 IonicContact OE2-NH1 2.88Å; E248-R251 PolarHBondContact OE2-NH1 3.3Å; R251-L253 PolarHBondContact O-N 3.17Å; R251-T254 PolarHBondContact O-N 3.46Å; R251-Q255 HydrophobicContact CG-CG 4.38Å; R251-Q255 WeakPolarHBondContact O-CB 3.47Å; R251-Q255 VanDerWaalsContact O-CG 3.31Å; R251-Q255 WeakPolarHBondContact O-CG 3.41Å; R251-Q255 PolarHBondContact O-N 3.39Å; R251-L290 HydrophobicContact CB-CD1 4.35Å; R251-L290 HydrophobicContact CB-CD2 4.28Å |
| 252 | Q | 88.3 | Confident | 82.6 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 178 | -71.4 | 175.2 | 15.3 | 0 | 0 | 112.3 | E248 A249 L250 Q255 M256 | E248-Q252 VanDerWaalsContact O-CG 3.29Å; E248-Q252 WeakPolarHBondContact O-CG 3.36Å; E248-Q252 PolarHBondContact O-N 3.47Å; E248-Q252 PolarHBondContact OE1-NE2 2.76Å; E248-Q252 VanDerWaalsContact OE1-NE2 3.17Å; A249-Q252 PolarHBondContact O-N 3.28Å; L250-Q252 VanDerWaalsContact C-N 3.34Å; Q252-Q255 PolarHBondContact O-N 3.48Å; Q252-M256 WeakPolarHBondContact O-CB 3.46Å; Q252-M256 VanDerWaalsContact O-CG 3.28Å; Q252-M256 WeakPolarHBondContact O-CG 3.36Å; Q252-M256 PolarHBondContact O-N 3.12Å |
| 253 | L | 85.7 | Confident | 81.4 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 176.1 | -66.1 | 176.9 | 0 | 0 | 0 | 112 | V203 A204 A249 L250 R251 M256 L257 L270 L274 L277 | V203-L253 HydrophobicContact CG1-CD2 4.27Å; A204-L253 HydrophobicContact CB-CD2 3.9Å; A249-L253 WeakPolarHBondContact O-CG 3.38Å; A249-L253 PolarHBondContact O-N 2.99Å; L250-L253 PolarHBondContact O-N 3Å; R251-L253 PolarHBondContact O-N 3.17Å; L253-M256 HydrophobicContact CD2-CE 3.46Å; L253-M256 VanDerWaalsContact CD2-CE 3.46Å; L253-M256 HydrophobicContact CG-CE 4.4Å; L253-M256 PolarHBondContact O-N 2.81Å; L253-L257 PolarHBondContact O-N 3.06Å; L253-L257 VanDerWaalsContact O-N 3.13Å; L253-L270 HydrophobicContact CB-CD1 4.48Å; L253-L270 HydrophobicContact CD2-CD1 4.19Å; L253-L274 HydrophobicContact CB-CD2 3.8Å; L253-L274 HydrophobicContact CD1-CD2 4.3Å; L253-L277 HydrophobicContact CD1-CD2 3.92Å |
| 254 | T | 87.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 178.9 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | L250 R251 L257 L258 I291 L328 | L250-T254 WeakPolarHBondContact O-CB 3.47Å; L250-T254 PolarHBondContact O-N 3.21Å; L250-T254 PolarHBondContact O-OG1 3.16Å; R251-T254 PolarHBondContact O-N 3.46Å; T254-L257 PolarHBondContact O-N 2.87Å; T254-L258 PolarHBondContact O-N 3.24Å; T254-L258 VanDerWaalsContact O-N 3.08Å; T254-I291 HydrophobicContact CG2-CG1 4.14Å; T254-L328 HydrophobicContact CG2-CD1 3.84Å; T254-L328 HydrophobicContact CG2-CD2 3.75Å |
| 255 | Q | 87.3 | Confident | 79.4 | Confident | 72 Ų | 72 | 56 Ų | 56 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 176.7 | -75.2 | 179.6 | -8.4 | 0 | 0 | 112.1 | R251 Q252 L257 L258 H259 | R251-Q255 HydrophobicContact CG-CG 4.38Å; R251-Q255 WeakPolarHBondContact O-CB 3.47Å; R251-Q255 VanDerWaalsContact O-CG 3.31Å; R251-Q255 WeakPolarHBondContact O-CG 3.41Å; R251-Q255 PolarHBondContact O-N 3.39Å; Q252-Q255 PolarHBondContact O-N 3.48Å; Q255-L257 VanDerWaalsContact C-N 3.3Å; Q255-L257 PolarHBondContact O-N 2.87Å; Q255-L258 PolarHBondContact O-N 3.48Å; Q255-H259 WeakPolarHBondContact O-CB 3.37Å; Q255-H259 PolarHBondContact O-N 3.46Å; Q255-H259 PolarHBondContact O-ND1 3.16Å |
| 256 | M | 84.1 | Confident | 78.6 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 14% | 0.138 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 173.6 | -77.1 | -169.2 | -58.6 | 0 | 0 | 112.4 | A204 C207 R208 Q252 L253 S260 L270 | A204-M256 HydrophobicContact CB-CE 3.77Å; C207-M256 HydrophobicContact CB-CE 4.47Å; R208-M256 HydrophobicContact CG-SD 3.58Å; R208-M256 VanDerWaalsContact CG-SD 3.58Å; R208-M256 PolarHBondContact NE-SD 2.83Å; Q252-M256 WeakPolarHBondContact O-CB 3.46Å; Q252-M256 VanDerWaalsContact O-CG 3.28Å; Q252-M256 WeakPolarHBondContact O-CG 3.36Å; Q252-M256 PolarHBondContact O-N 3.12Å; L253-M256 HydrophobicContact CD2-CE 3.46Å; L253-M256 VanDerWaalsContact CD2-CE 3.46Å; L253-M256 HydrophobicContact CG-CE 4.4Å; L253-M256 PolarHBondContact O-N 2.81Å; M256-S260 VanDerWaalsContact O-CB 3.32Å; M256-S260 WeakPolarHBondContact O-CB 3.31Å; M256-S260 PolarHBondContact O-N 3.03Å; M256-S260 VanDerWaalsContact O-N 3.07Å; M256-L270 HydrophobicContact CB-CD2 4.21Å |
| 257 | L | 84.3 | Confident | 77.9 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -40.7 | 174.3 | -168.6 | 71.1 | 0 | 0 | 0 | 111.2 | L253 T254 Q255 S260 A267 L270 K271 L274 N324 H327 L328 | L253-L257 PolarHBondContact O-N 3.06Å; L253-L257 VanDerWaalsContact O-N 3.13Å; T254-L257 PolarHBondContact O-N 2.87Å; Q255-L257 VanDerWaalsContact C-N 3.3Å; Q255-L257 PolarHBondContact O-N 2.87Å; L257-S260 PolarHBondContact O-OG 3.19Å; L257-A267 HydrophobicContact CD1-CB 4Å; L257-L270 HydrophobicContact CB-CD2 3.71Å; L257-L270 HydrophobicContact CB-CG 4.32Å; L257-L270 HydrophobicContact CD1-CB 4.09Å; L257-L270 HydrophobicContact CD1-CD2 3.81Å; L257-L270 HydrophobicContact CD1-CG 4.02Å; L257-L270 HydrophobicContact CG-CD2 4.37Å; L257-K271 HydrophobicContact CD2-CB 4.37Å; L257-L274 HydrophobicContact CD2-CD1 4.07Å; L257-N324 VanDerWaalsContact O-CB 3.27Å; L257-N324 WeakPolarHBondContact O-CB 3.34Å; L257-N324 VanDerWaalsContact O-CG 3.29Å; L257-N324 PolarHBondContact O-ND2 3.36Å; L257-H327 HydrophobicContact CD1-CB 4.42Å; L257-H327 HydrophobicContact CD2-CB 3.82Å; L257-H327 HydrophobicContact CG-CB 4.29Å; L257-L328 HydrophobicContact CB-CD2 4.48Å; L257-L328 HydrophobicContact CD2-CD2 3.5Å; L257-L328 VanDerWaalsContact CD2-CD2 3.5Å; L257-L328 HydrophobicContact CD2-CG 4.04Å; L257-L328 HydrophobicContact CG-CD2 4.48Å |
| 258 | L | 82.4 | Confident | 77.3 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.7 | -39 | -179.7 | -81.7 | 170.7 | 0 | 0 | 0 | 114 | T254 Q255 E294 R321 N324 L328 | T254-L258 PolarHBondContact O-N 3.24Å; T254-L258 VanDerWaalsContact O-N 3.08Å; Q255-L258 PolarHBondContact O-N 3.48Å; L258-E294 HydrophobicContact CD1-CB 3.88Å; L258-E294 HydrophobicContact CD1-CG 4Å; L258-R321 HydrophobicContact CD2-CG 4.4Å; L258-N324 WeakPolarHBondContact O-CB 3.5Å; L258-N324 PolarHBondContact O-ND2 2.92Å; L258-L328 HydrophobicContact CD1-CD1 3.55Å; L258-L328 HydrophobicContact CD2-CD1 3.53Å; L258-L328 HydrophobicContact CD2-CG 4.18Å; L258-L328 HydrophobicContact CG-CD1 3.41Å; L258-L328 VanDerWaalsContact CG-CD1 3.41Å; L258-L328 HydrophobicContact CG-CG 4.19Å |
| 259 | H | 81.3 | Confident | 76.9 | Confident | 109 Ų | 109 | 50.6 Ų | 50.6 | 51% | 0.505 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -103.1 | 8.4 | -172.6 | -57.4 | 85.7 | 0 | 0 | 0 | 112.8 | Q255 P261 | Q255-H259 WeakPolarHBondContact O-CB 3.37Å; Q255-H259 PolarHBondContact O-N 3.46Å; Q255-H259 PolarHBondContact O-ND1 3.16Å; H259-P261 VanDerWaalsContact O-CD 3.28Å; H259-P261 WeakPolarHBondContact O-CD 3.46Å |
| 260 | S | 74.2 | Confident | 76.7 | Confident | 24 Ų | 24 | 50.5 Ų | 50.5 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | trans | -65 | 119.8 | 176.2 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | M256 L257 R262 N324 | M256-S260 VanDerWaalsContact O-CB 3.32Å; M256-S260 WeakPolarHBondContact O-CB 3.31Å; M256-S260 PolarHBondContact O-N 3.03Å; M256-S260 VanDerWaalsContact O-N 3.07Å; L257-S260 PolarHBondContact O-OG 3.19Å; S260-R262 PolarHBondContact O-N 3.41Å; S260-R262 VanDerWaalsContact O-N 3.12Å; S260-N324 PolarHBondContact O-ND2 3.26Å; S260-N324 PolarHBondContact OG-ND2 3.45Å | ||
| 261 | P | 60.6 | Low | 76.6 | Confident | 104 Ų | 104 | 51.3 Ų | 51.3 | 68% | 0.675 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -74.5 | 1.5 | -177.6 | 30.7 | -35.9 | 0 | 0 | 0 | 113.1 | H259 | H259-P261 VanDerWaalsContact O-CD 3.28Å; H259-P261 WeakPolarHBondContact O-CD 3.46Å |
| 262 | R | 54.9 | Low | 76.4 | Confident | 209 Ų | 209 | 51.2 Ų | 51.2 | 79% | 0.789 | 25% | 0.254 | S | S | * | . | trans | -137.2 | 113.2 | 179.3 | -70.3 | -175.7 | 177.2 | 133.5 | -1.6 | 109.9 | S260 G264 | S260-R262 PolarHBondContact O-N 3.41Å; S260-R262 VanDerWaalsContact O-N 3.12Å; R262-G264 VanDerWaalsContact C-N 3.3Å; R262-G264 PolarHBondContact O-N 3Å | ||
| 263 | P | 53.3 | Low | 76.3 | Confident | 36 Ų | 36 | 48.4 Ų | 48.4 | 23% | 0.234 | 24% | 0.241 | C | C | . | . | trans | -72.1 | 90.3 | 164.6 | 29.5 | -30.9 | 0 | 0 | 0 | 107.8 | I136 | I136-P263 HydrophobicContact CD1-CB 4.17Å; I136-P263 HydrophobicContact CD1-CG 4.48Å; I136-P263 HydrophobicContact CG1-CG 4.35Å; I136-P263 HydrophobicContact CG2-CB 4.38Å; I136-P263 HydrophobicContact CG2-CG 4.39Å; I136-P263 WeakPolarHBondContact CG2-O 3.43Å | ||
| 264 | G | 62.2 | Low | 76.5 | Confident | 31 Ų | 31 | 48.2 Ų | 48.2 | 32% | 0.32 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -128.6 | -175.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | R262 A266 A267 E268 | R262-G264 VanDerWaalsContact C-N 3.3Å; R262-G264 PolarHBondContact O-N 3Å; G264-A266 PolarHBondContact O-N 3.34Å; G264-A267 PolarHBondContact O-N 3.08Å; G264-E268 PolarHBondContact O-N 2.54Å |
| 265 | R | 64.8 | Low | 76.6 | Confident | 158 Ų | 158 | 50 Ų | 50 | 60% | 0.596 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -49.8 | -29 | 175.9 | -172 | 175 | 178.9 | -177 | -1.1 | 113.2 | D217 K269 | D217-R265 IonicContact OD2-NH2 3.22Å; D217-R265 PolarHBondContact OD2-NH2 3.5Å; R265-K269 VanDerWaalsContact O-CG 3.3Å; R265-K269 WeakPolarHBondContact O-CG 3.49Å; R265-K269 PolarHBondContact O-N 3.48Å; R265-K269 VanDerWaalsContact O-N 3.14Å |
| 266 | A | 67.9 | Low | 76.6 | Confident | 41 Ų | 41 | 46.8 Ų | 46.8 | 34% | 0.339 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.9 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L211 G264 K269 L270 | L211-A266 HydrophobicContact CD1-CB 4.08Å; G264-A266 PolarHBondContact O-N 3.34Å; A266-K269 PolarHBondContact O-N 2.9Å; A266-L270 VanDerWaalsContact O-CB 3.3Å; A266-L270 WeakPolarHBondContact O-CB 3.3Å; A266-L270 PolarHBondContact O-N 3.23Å |
| 267 | A | 72.7 | Confident | 76.7 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.5 | -38.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L257 G264 L270 K271 | L257-A267 HydrophobicContact CD1-CB 4Å; G264-A267 PolarHBondContact O-N 3.08Å; A267-L270 PolarHBondContact O-N 3.5Å; A267-K271 PolarHBondContact O-N 3.34Å |
| 268 | E | 77.4 | Confident | 76.8 | Confident | 59 Ų | 59 | 45.7 Ų | 45.7 | 28% | 0.276 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 173.8 | -71 | -67.3 | 117.4 | 0 | 0 | 112.2 | G264 K271 E272 H327 | G264-E268 PolarHBondContact O-N 2.54Å; E268-K271 WeakPolarHBondContact O-CG 3.27Å; E268-K271 VanDerWaalsContact OE1-CE 3.32Å; E268-K271 WeakPolarHBondContact OE1-CE 3.2Å; E268-K271 IonicContact OE1-NZ 2.96Å; E268-K271 PolarHBondContact OE1-NZ 2.87Å; E268-K271 WeakPolarHBondContact OE2-CE 3.48Å; E268-K271 IonicContact OE2-NZ 2.79Å; E268-K271 PolarHBondContact OE2-NZ 3.13Å; E268-E272 WeakPolarHBondContact O-CG 3.47Å; E268-E272 PolarHBondContact O-N 3.26Å; E268-H327 IonicContact OE1-CE1 2.82Å; E268-H327 PolarHBondContact OE1-CE1 3.33Å; E268-H327 VanDerWaalsContact OE1-CE1 3.3Å; E268-H327 IonicContact OE1-ND1 3.85Å |
| 269 | K | 80.3 | Confident | 76.9 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 15% | 0.148 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -74.6 | -32.2 | 176 | -63.9 | -63.1 | 178.4 | 177.6 | 0 | 112.7 | P216 D217 L219 R265 A266 E272 S273 | P216-K269 HydrophobicContact CB-CB 4.47Å; P216-K269 HydrophobicContact CB-CG 3.81Å; P216-K269 WeakPolarHBondContact O-CD 3.37Å; D217-K269 WeakPolarHBondContact OD1-CE 3.44Å; D217-K269 IonicContact OD1-NZ 3.52Å; D217-K269 PolarHBondContact OD1-NZ 3.16Å; L219-K269 HydrophobicContact CD1-CB 4.33Å; R265-K269 VanDerWaalsContact O-CG 3.3Å; R265-K269 WeakPolarHBondContact O-CG 3.49Å; R265-K269 PolarHBondContact O-N 3.48Å; R265-K269 VanDerWaalsContact O-N 3.14Å; A266-K269 PolarHBondContact O-N 2.9Å; K269-E272 WeakPolarHBondContact CD-OE2 3.49Å; K269-E272 IonicContact NZ-OE2 2.82Å; K269-E272 PolarHBondContact NZ-OE2 2.86Å; K269-E272 PolarHBondContact O-N 3.47Å; K269-S273 WeakPolarHBondContact O-CB 3.11Å; K269-S273 PolarHBondContact O-N 3.23Å |
| 270 | L | 82.9 | Confident | 77 | Confident | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.6 | -44.8 | 174.3 | -178.2 | 59.7 | 0 | 0 | 0 | 111.3 | L253 M256 L257 A266 A267 E272 S273 L274 | L253-L270 HydrophobicContact CB-CD1 4.48Å; L253-L270 HydrophobicContact CD2-CD1 4.19Å; M256-L270 HydrophobicContact CB-CD2 4.21Å; L257-L270 HydrophobicContact CB-CD2 3.71Å; L257-L270 HydrophobicContact CB-CG 4.32Å; L257-L270 HydrophobicContact CD1-CB 4.09Å; L257-L270 HydrophobicContact CD1-CD2 3.81Å; L257-L270 HydrophobicContact CD1-CG 4.02Å; L257-L270 HydrophobicContact CG-CD2 4.37Å; A266-L270 VanDerWaalsContact O-CB 3.3Å; A266-L270 WeakPolarHBondContact O-CB 3.3Å; A266-L270 PolarHBondContact O-N 3.23Å; A267-L270 PolarHBondContact O-N 3.5Å; L270-E272 VanDerWaalsContact C-N 3.34Å; L270-E272 PolarHBondContact O-N 3.17Å; L270-S273 WeakPolarHBondContact CA-OG 3.25Å; L270-S273 PolarHBondContact O-N 2.92Å; L270-S273 VanDerWaalsContact O-N 3.16Å; L270-S273 PolarHBondContact O-OG 3.43Å; L270-L274 WeakPolarHBondContact O-CG 3.46Å; L270-L274 PolarHBondContact O-N 3.34Å |
| 271 | K | 85.9 | Confident | 77.3 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 8% | 0.078 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 175.2 | 69.8 | 175.4 | -166.5 | -168.4 | 0 | 112 | L257 A267 E268 S273 L274 V275 W330 V331 | L257-K271 HydrophobicContact CD2-CB 4.37Å; A267-K271 PolarHBondContact O-N 3.34Å; E268-K271 WeakPolarHBondContact O-CG 3.27Å; E268-K271 VanDerWaalsContact OE1-CE 3.32Å; E268-K271 WeakPolarHBondContact OE1-CE 3.2Å; E268-K271 IonicContact OE1-NZ 2.96Å; E268-K271 PolarHBondContact OE1-NZ 2.87Å; E268-K271 WeakPolarHBondContact OE2-CE 3.48Å; E268-K271 IonicContact OE2-NZ 2.79Å; E268-K271 PolarHBondContact OE2-NZ 3.13Å; K271-S273 VanDerWaalsContact C-N 3.32Å; K271-S273 PolarHBondContact O-N 3.4Å; K271-L274 PolarHBondContact O-N 3.33Å; K271-V275 WeakPolarHBondContact O-CG2 3.49Å; K271-V275 PolarHBondContact O-N 3.49Å; K271-V275 VanDerWaalsContact O-N 3.09Å; K271-W330 HydrophobicContact CB-CE3 4.45Å; K271-W330 HydrophobicContact CB-CZ3 4.43Å; K271-W330 HydrophobicContact CD-CE3 3.95Å; K271-W330 HydrophobicContact CD-CZ3 4.11Å; K271-W330 HydrophobicContact CG-CE3 4.37Å; K271-W330 HydrophobicContact CG-CZ3 4.18Å; K271-V331 HydrophobicContact CB-CG2 3.7Å |
| 272 | E | 86.5 | Confident | 78.3 | Confident | 73 Ų | 73 | 41 Ų | 41 | 34% | 0.341 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 173.4 | -74.9 | 175.2 | -174.5 | 0 | 0 | 111.2 | P220 E268 K269 L270 V275 A276 | P220-E272 HydrophobicContact CB-CB 4.31Å; P220-E272 HydrophobicContact CG-CB 3.88Å; E268-E272 WeakPolarHBondContact O-CG 3.47Å; E268-E272 PolarHBondContact O-N 3.26Å; K269-E272 WeakPolarHBondContact CD-OE2 3.49Å; K269-E272 IonicContact NZ-OE2 2.82Å; K269-E272 PolarHBondContact NZ-OE2 2.86Å; K269-E272 PolarHBondContact O-N 3.47Å; L270-E272 VanDerWaalsContact C-N 3.34Å; L270-E272 PolarHBondContact O-N 3.17Å; E272-V275 PolarHBondContact O-N 3.28Å; E272-A276 WeakPolarHBondContact O-CB 3.46Å; E272-A276 PolarHBondContact O-N 3.29Å |
| 273 | S | 85.3 | Confident | 79.8 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | 178.8 | 78.8 | 0 | 0 | 0 | 0 | 112.6 | S223 K269 L270 K271 A276 L277 | S223-S273 VanDerWaalsContact CB-O 3.29Å; S223-S273 WeakPolarHBondContact CB-O 3.46Å; S223-S273 WeakPolarHBondContact OG-CA 3.29Å; S223-S273 PolarHBondContact OG-O 3.45Å; K269-S273 WeakPolarHBondContact O-CB 3.11Å; K269-S273 PolarHBondContact O-N 3.23Å; L270-S273 WeakPolarHBondContact CA-OG 3.25Å; L270-S273 PolarHBondContact O-N 2.92Å; L270-S273 VanDerWaalsContact O-N 3.16Å; L270-S273 PolarHBondContact O-OG 3.43Å; K271-S273 VanDerWaalsContact C-N 3.32Å; K271-S273 PolarHBondContact O-N 3.4Å; S273-A276 PolarHBondContact O-N 3.08Å; S273-L277 WeakPolarHBondContact O-CB 3.36Å; S273-L277 PolarHBondContact O-N 3.33Å |
| 274 | L | 89.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 175.5 | -75.2 | 172.5 | 0 | 0 | 0 | 111.6 | L253 L257 L270 K271 L277 G278 L287 L328 V331 | L253-L274 HydrophobicContact CB-CD2 3.8Å; L253-L274 HydrophobicContact CD1-CD2 4.3Å; L257-L274 HydrophobicContact CD2-CD1 4.07Å; L270-L274 WeakPolarHBondContact O-CG 3.46Å; L270-L274 PolarHBondContact O-N 3.34Å; K271-L274 PolarHBondContact O-N 3.33Å; L274-L277 PolarHBondContact O-N 3.47Å; L274-G278 PolarHBondContact O-N 3.17Å; L274-L287 HydrophobicContact CD2-CD2 4Å; L274-L328 HydrophobicContact CD1-CD2 4.5Å; L274-V331 HydrophobicContact CB-CG1 4.11Å; L274-V331 HydrophobicContact CB-CG2 4.4Å |
| 275 | V | 89.9 | Confident | 82.7 | Confident | 38 Ų | 38 | 28.8 Ų | 28.8 | 23% | 0.23 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 173.5 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | K271 E272 L277 G278 S279 W330 V331 R334 | K271-V275 WeakPolarHBondContact O-CG2 3.49Å; K271-V275 PolarHBondContact O-N 3.49Å; K271-V275 VanDerWaalsContact O-N 3.09Å; E272-V275 PolarHBondContact O-N 3.28Å; V275-L277 VanDerWaalsContact C-N 3.32Å; V275-L277 PolarHBondContact O-N 3.26Å; V275-G278 CarbonylContact O-C 3.56Å; V275-G278 PolarHBondContact O-N 3.33Å; V275-S279 PolarHBondContact O-N 2.82Å; V275-W330 HydrophobicContact CG2-CE3 4.41Å; V275-W330 HydrophobicContact CG2-CH2 4.37Å; V275-W330 HydrophobicContact CG2-CZ3 3.69Å; V275-V331 HydrophobicContact CG2-CB 4.32Å; V275-V331 HydrophobicContact CG2-CG1 4.01Å; V275-V331 HydrophobicContact CG2-CG2 4.16Å; V275-R334 HydrophobicContact CG1-CB 4.39Å; V275-R334 HydrophobicContact CG2-CB 4.06Å |
| 276 | A | 88.3 | Confident | 83.7 | Confident | 5 Ų | 5 | 21.3 Ų | 21.3 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.9 | -34.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S223 R224 S227 E272 S273 S279 | S223-A276 WeakPolarHBondContact OG-CB 3.33Å; R224-A276 HydrophobicContact CB-CB 4.33Å; S227-A276 WeakPolarHBondContact CB-O 3.3Å; S227-A276 PolarHBondContact OG-O 3.4Å; S227-A276 VanDerWaalsContact OG-O 3.04Å; E272-A276 WeakPolarHBondContact O-CB 3.46Å; E272-A276 PolarHBondContact O-N 3.29Å; S273-A276 PolarHBondContact O-N 3.08Å; A276-S279 VanDerWaalsContact O-CB 3.3Å; A276-S279 WeakPolarHBondContact O-CB 3.48Å; A276-S279 PolarHBondContact O-N 2.92Å; A276-S279 PolarHBondContact O-OG 2.91Å |
| 277 | L | 86.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.2 | -39.3 | 174.8 | -167 | 54.8 | 0 | 0 | 0 | 111.5 | L200 A226 S227 L230 L250 L253 S273 L274 V275 S279 S283 | L200-L277 HydrophobicContact CD2-CD1 3.93Å; L200-L277 HydrophobicContact CD2-CD2 3.9Å; A226-L277 HydrophobicContact CB-CD1 4.21Å; S227-L277 WeakPolarHBondContact CB-O 3.44Å; L230-L277 HydrophobicContact CD1-CD1 4.12Å; L250-L277 HydrophobicContact CD2-CD2 3.19Å; L250-L277 HydrophobicContact CD2-CG 3.83Å; L253-L277 HydrophobicContact CD1-CD2 3.92Å; S273-L277 WeakPolarHBondContact O-CB 3.36Å; S273-L277 PolarHBondContact O-N 3.33Å; L274-L277 PolarHBondContact O-N 3.47Å; V275-L277 VanDerWaalsContact C-N 3.32Å; V275-L277 PolarHBondContact O-N 3.26Å; L277-S279 PolarHBondContact O-N 3.29Å; L277-S279 VanDerWaalsContact O-N 3.1Å; L277-S283 WeakPolarHBondContact O-CB 3.38Å; L277-S283 PolarHBondContact O-OG 2.85Å |
| 278 | G | 85.2 | Confident | 85.6 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 14 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L274 V275 S280 K284 | L274-G278 PolarHBondContact O-N 3.17Å; V275-G278 CarbonylContact O-C 3.56Å; V275-G278 PolarHBondContact O-N 3.33Å; G278-S280 VanDerWaalsContact C-N 3.3Å; G278-K284 WeakPolarHBondContact O-CB 3.27Å |
| 279 | S | 84.9 | Confident | 86 | Confident | 77 Ų | 77 | 19 Ų | 19 | 54% | 0.538 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -23.4 | 169.6 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | V275 A276 L277 | V275-S279 PolarHBondContact O-N 2.82Å; A276-S279 VanDerWaalsContact O-CB 3.3Å; A276-S279 WeakPolarHBondContact O-CB 3.48Å; A276-S279 PolarHBondContact O-N 2.92Å; A276-S279 PolarHBondContact O-OG 2.91Å; L277-S279 PolarHBondContact O-N 3.29Å; L277-S279 VanDerWaalsContact O-N 3.1Å |
| 280 | S | 84.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -80.9 | 141.1 | 174.7 | 162.9 | 0 | 0 | 0 | 0 | 110.7 | D231 G278 V282 S283 K284 | D231-S280 VanDerWaalsContact CG-CB 3.41Å; D231-S280 WeakPolarHBondContact OD1-CA 2.96Å; D231-S280 WeakPolarHBondContact OD1-CB 3.22Å; D231-S280 PolarHBondContact OD1-OG 3.09Å; D231-S280 WeakPolarHBondContact OD2-CA 3.5Å; D231-S280 WeakPolarHBondContact OD2-CB 3.48Å; G278-S280 VanDerWaalsContact C-N 3.3Å; S280-V282 VanDerWaalsContact C-N 3.3Å; S280-V282 PolarHBondContact O-N 3.46Å; S280-V282 PolarHBondContact OG-N 3.43Å; S280-S283 VanDerWaalsContact CB-OG 3.28Å; S280-S283 WeakPolarHBondContact CB-OG 3.47Å; S280-S283 PolarHBondContact O-N 3.41Å; S280-S283 PolarHBondContact O-OG 3.36Å; S280-K284 WeakPolarHBondContact O-CB 3.47Å; S280-K284 PolarHBondContact O-N 2.88Å |
| 281 | S | 80.8 | Confident | 86.8 | Confident | 56 Ų | 56 | 17.3 Ų | 17.3 | 39% | 0.392 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -64.3 | -36.3 | -177.5 | 66.1 | 0 | 0 | 0 | 0 | 112.4 | D231 S285 W343 | D231-S281 PolarHBondContact OD1-N 3.09Å; S281-S285 PolarHBondContact O-N 3.47Å; S281-W343 WeakPolarHBondContact O-CB 3.36Å |
| 282 | V | 81.4 | Confident | 86.9 | Confident | 9 Ų | 9 | 16.5 Ų | 16.5 | 6% | 0.055 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70.6 | -49.4 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | C234 L246 S280 K284 S285 L286 | C234-V282 HydrophobicContact CB-CB 4.38Å; C234-V282 HydrophobicContact CB-CG2 3.65Å; L246-V282 HydrophobicContact CD2-CG1 4.1Å; S280-V282 VanDerWaalsContact C-N 3.3Å; S280-V282 PolarHBondContact O-N 3.46Å; S280-V282 PolarHBondContact OG-N 3.43Å; V282-K284 VanDerWaalsContact C-N 3.34Å; V282-K284 PolarHBondContact O-N 3.22Å; V282-S285 PolarHBondContact O-OG 3.4Å; V282-L286 HydrophobicContact CG1-CD1 4.39Å; V282-L286 WeakPolarHBondContact O-CG 3.43Å; V282-L286 PolarHBondContact O-N 2.88Å |
| 283 | S | 86.6 | Confident | 87 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | 179.3 | 65.1 | 0 | 0 | 0 | 0 | 111.8 | L277 S280 L286 L287 | L277-S283 WeakPolarHBondContact O-CB 3.38Å; L277-S283 PolarHBondContact O-OG 2.85Å; S280-S283 VanDerWaalsContact CB-OG 3.28Å; S280-S283 WeakPolarHBondContact CB-OG 3.47Å; S280-S283 PolarHBondContact O-N 3.41Å; S280-S283 PolarHBondContact O-OG 3.36Å; S283-L286 PolarHBondContact O-N 2.78Å; S283-L287 VanDerWaalsContact O-CB 3.3Å; S283-L287 WeakPolarHBondContact O-CB 3.28Å; S283-L287 WeakPolarHBondContact O-CG 3.26Å; S283-L287 PolarHBondContact O-N 3.28Å |
| 284 | K | 88.2 | Confident | 87.1 | Confident | 10 Ų | 10 | 17.4 Ų | 17.4 | 4% | 0.043 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.3 | -49.4 | 177.9 | -172.8 | 173.4 | 179.3 | -172 | 0 | 112 | G278 S280 V282 L286 L287 V288 L335 S338 W343 | G278-K284 WeakPolarHBondContact O-CB 3.27Å; S280-K284 WeakPolarHBondContact O-CB 3.47Å; S280-K284 PolarHBondContact O-N 2.88Å; V282-K284 VanDerWaalsContact C-N 3.34Å; V282-K284 PolarHBondContact O-N 3.22Å; K284-L286 VanDerWaalsContact C-N 3.32Å; K284-L286 PolarHBondContact O-N 3.17Å; K284-L287 PolarHBondContact O-N 3.4Å; K284-V288 WeakPolarHBondContact O-CB 3.18Å; K284-V288 VanDerWaalsContact O-CG2 3.29Å; K284-V288 WeakPolarHBondContact O-CG2 3.37Å; K284-V288 PolarHBondContact O-N 2.95Å; K284-L335 WeakPolarHBondContact CE-O 3.38Å; K284-L335 HydrophobicContact CG-CD2 4.46Å; K284-L335 PolarHBondContact NZ-O 3.36Å; K284-S338 VanDerWaalsContact NZ-CB 3.28Å; K284-S338 PolarHBondContact NZ-OG 3.24Å; K284-W343 HydrophobicContact CB-CB 4.44Å; K284-W343 HydrophobicContact CB-CG 4.48Å; K284-W343 HydrophobicContact CD-CB 4.28Å; K284-W343 HydrophobicContact CD-CD2 3.7Å; K284-W343 HydrophobicContact CD-CE3 4.34Å; K284-W343 HydrophobicContact CD-CG 3.61Å; K284-W343 VanDerWaalsContact CE-NE1 3.32Å; K284-W343 HydrophobicContact CG-CD2 3.86Å; K284-W343 HydrophobicContact CG-CE3 3.99Å; K284-W343 HydrophobicContact CG-CG 4.11Å; K284-W343 HydrophobicContact CG-CZ3 4.46Å |
| 285 | S | 87 | Confident | 87.1 | Confident | 9 Ų | 9 | 17.4 Ų | 17.4 | 6% | 0.063 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 178.2 | 72.6 | 0 | 0 | 0 | 0 | 112.7 | S281 V282 R289 W343 | S281-S285 PolarHBondContact O-N 3.47Å; V282-S285 PolarHBondContact O-OG 3.4Å; S285-R289 WeakPolarHBondContact O-CB 3.48Å; S285-R289 PolarHBondContact O-N 3.38Å; S285-W343 WeakPolarHBondContact CB-O 3.36Å |
| 286 | L | 87.1 | Confident | 86.9 | Confident | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.5 | -43.3 | 178.2 | -67.4 | 173.5 | 0 | 0 | 0 | 111.4 | R243 L246 L250 V282 S283 K284 R289 L290 | R243-L286 HydrophobicContact CG-CD1 4.4Å; L246-L286 HydrophobicContact CD2-CD1 3.83Å; L246-L286 HydrophobicContact CG-CD1 4.04Å; L250-L286 HydrophobicContact CD1-CB 3.79Å; L250-L286 HydrophobicContact CD1-CD1 4.28Å; V282-L286 HydrophobicContact CG1-CD1 4.39Å; V282-L286 WeakPolarHBondContact O-CG 3.43Å; V282-L286 PolarHBondContact O-N 2.88Å; S283-L286 PolarHBondContact O-N 2.78Å; K284-L286 VanDerWaalsContact C-N 3.32Å; K284-L286 PolarHBondContact O-N 3.17Å; L286-R289 PolarHBondContact O-N 2.97Å; L286-L290 WeakPolarHBondContact O-CB 3.43Å; L286-L290 VanDerWaalsContact O-CG 3.25Å; L286-L290 WeakPolarHBondContact O-CG 3.25Å; L286-L290 PolarHBondContact O-N 2.72Å |
| 287 | L | 89.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.2 | -47.7 | 177.7 | -83.9 | 171.9 | 0 | 0 | 0 | 111.7 | L250 L274 S283 K284 R289 L290 I291 L335 | L250-L287 HydrophobicContact CB-CD2 4.09Å; L250-L287 HydrophobicContact CD1-CD2 4.44Å; L250-L287 HydrophobicContact CD1-CG 4.06Å; L250-L287 HydrophobicContact CD2-CD1 4.11Å; L250-L287 HydrophobicContact CD2-CD2 3.77Å; L250-L287 HydrophobicContact CD2-CG 3.84Å; L250-L287 HydrophobicContact CG-CD2 4.31Å; L250-L287 HydrophobicContact CG-CG 4.38Å; L274-L287 HydrophobicContact CD2-CD2 4Å; S283-L287 VanDerWaalsContact O-CB 3.3Å; S283-L287 WeakPolarHBondContact O-CB 3.28Å; S283-L287 WeakPolarHBondContact O-CG 3.26Å; S283-L287 PolarHBondContact O-N 3.28Å; K284-L287 PolarHBondContact O-N 3.4Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.44Å; L287-L290 PolarHBondContact O-N 3.33Å; L287-I291 WeakPolarHBondContact O-CB 3.3Å; L287-I291 WeakPolarHBondContact O-CG1 3.37Å; L287-I291 PolarHBondContact O-N 3.31Å; L287-L335 HydrophobicContact CB-CD1 4.03Å; L287-L335 HydrophobicContact CD1-CD1 4.41Å |
| 288 | V | 89.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 177.1 | 170.7 | 0 | 0 | 0 | 0 | 110 | K284 L290 I291 L292 L332 L335 L336 W343 L348 | K284-V288 WeakPolarHBondContact O-CB 3.18Å; K284-V288 VanDerWaalsContact O-CG2 3.29Å; K284-V288 WeakPolarHBondContact O-CG2 3.37Å; K284-V288 PolarHBondContact O-N 2.95Å; V288-L290 PolarHBondContact O-N 2.97Å; V288-I291 PolarHBondContact O-N 3.19Å; V288-L292 HydrophobicContact CG1-CD1 3.81Å; V288-L292 HydrophobicContact CG1-CG 4.31Å; V288-L292 WeakPolarHBondContact O-CB 3.25Å; V288-L292 WeakPolarHBondContact O-CG 3.43Å; V288-L292 PolarHBondContact O-N 3.19Å; V288-L332 HydrophobicContact CB-CD1 4.22Å; V288-L332 HydrophobicContact CG1-CD1 3.9Å; V288-L332 HydrophobicContact CG2-CD1 3.96Å; V288-L335 HydrophobicContact CG2-CB 4.26Å; V288-L335 HydrophobicContact CG2-CD1 4.29Å; V288-L336 HydrophobicContact CG1-CD2 4.32Å; V288-L336 HydrophobicContact CG2-CD2 4.37Å; V288-W343 HydrophobicContact CB-CH2 4.49Å; V288-W343 HydrophobicContact CB-CZ3 4.07Å; V288-W343 HydrophobicContact CG1-CH2 4.35Å; V288-W343 HydrophobicContact CG1-CZ3 4.21Å; V288-W343 HydrophobicContact CG2-CH2 3.94Å; V288-W343 HydrophobicContact CG2-CZ3 3.79Å; V288-L348 HydrophobicContact CG1-CD1 4.12Å; V288-L348 HydrophobicContact CG1-CD2 4.27Å |
| 289 | R | 87.5 | Confident | 86.7 | Confident | 55 Ų | 55 | 17.6 Ų | 17.6 | 21% | 0.208 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 177.9 | -165.6 | 175.7 | 65.4 | 174.4 | 3.9 | 112.6 | E247 S285 L286 L287 S293 L348 V351 | E247-R289 VanDerWaalsContact CD-NH2 3.32Å; E247-R289 IonicContact OE1-NH2 2.68Å; E247-R289 IonicContact OE2-NH2 2.59Å; E247-R289 PolarHBondContact OE2-NH2 2.89Å; S285-R289 WeakPolarHBondContact O-CB 3.48Å; S285-R289 PolarHBondContact O-N 3.38Å; L286-R289 PolarHBondContact O-N 2.97Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.44Å; R289-S293 PolarHBondContact O-N 3.45Å; R289-S293 VanDerWaalsContact O-N 3.09Å; R289-S293 PolarHBondContact O-OG 3.02Å; R289-L348 HydrophobicContact CB-CD1 3.72Å; R289-L348 HydrophobicContact CG-CD1 4.2Å; R289-V351 HydrophobicContact CG-CB 4.34Å; R289-V351 HydrophobicContact CG-CG1 4.11Å; R289-V351 HydrophobicContact CG-CG2 4.06Å |
| 290 | L | 89.2 | Confident | 86.7 | Confident | 7 Ų | 7 | 17.8 Ų | 17.8 | 4% | 0.037 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 179.7 | -73.7 | 169 | 0 | 0 | 0 | 110.9 | E247 L250 R251 L286 L287 V288 L292 S293 E294 | E247-L290 HydrophobicContact CG-CD1 4.42Å; E247-L290 HydrophobicContact CG-CD2 4.39Å; L250-L290 HydrophobicContact CB-CD1 3.71Å; R251-L290 HydrophobicContact CB-CD1 4.35Å; R251-L290 HydrophobicContact CB-CD2 4.28Å; L286-L290 WeakPolarHBondContact O-CB 3.43Å; L286-L290 VanDerWaalsContact O-CG 3.25Å; L286-L290 WeakPolarHBondContact O-CG 3.25Å; L286-L290 PolarHBondContact O-N 2.72Å; L287-L290 PolarHBondContact O-N 3.33Å; V288-L290 PolarHBondContact O-N 2.97Å; L290-L292 PolarHBondContact O-N 2.94Å; L290-S293 PolarHBondContact O-N 3.27Å; L290-S293 PolarHBondContact O-OG 2.91Å; L290-E294 WeakPolarHBondContact O-CG 3.26Å; L290-E294 PolarHBondContact O-N 2.73Å |
| 291 | I | 90.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.4 | -43.1 | -177.7 | -65.2 | 168.1 | 0 | 0 | 0 | 111.1 | T254 L287 V288 S293 E294 I295 L328 V331 L332 | T254-I291 HydrophobicContact CG2-CG1 4.14Å; L287-I291 WeakPolarHBondContact O-CB 3.3Å; L287-I291 WeakPolarHBondContact O-CG1 3.37Å; L287-I291 PolarHBondContact O-N 3.31Å; V288-I291 PolarHBondContact O-N 3.19Å; I291-S293 VanDerWaalsContact C-N 3.33Å; I291-S293 PolarHBondContact O-N 2.84Å; I291-E294 PolarHBondContact O-N 2.91Å; I291-I295 HydrophobicContact CG2-CD1 3.33Å; I291-I295 HydrophobicContact CG2-CG1 4.13Å; I291-I295 WeakPolarHBondContact O-CB 3.46Å; I291-I295 WeakPolarHBondContact O-CD1 3.46Å; I291-I295 WeakPolarHBondContact O-CG1 3.46Å; I291-I295 PolarHBondContact O-N 2.69Å; I291-L328 HydrophobicContact CG1-CD2 4.27Å; I291-L328 HydrophobicContact CG2-CB 4.06Å; I291-L328 HydrophobicContact CG2-CD1 4.47Å; I291-V331 HydrophobicContact CD1-CB 4.43Å; I291-V331 HydrophobicContact CD1-CG1 3.85Å; I291-L332 HydrophobicContact CG2-CB 3.97Å; I291-L332 HydrophobicContact CG2-CD2 4.05Å; I291-L332 HydrophobicContact CG2-CG 4.44Å |
| 292 | L | 88.4 | Confident | 86.7 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 175.2 | -70.4 | 174.8 | 0 | 0 | 0 | 112.2 | V288 L290 G296 L332 F355 I380 L384 | V288-L292 HydrophobicContact CG1-CD1 3.81Å; V288-L292 HydrophobicContact CG1-CG 4.31Å; V288-L292 WeakPolarHBondContact O-CB 3.25Å; V288-L292 WeakPolarHBondContact O-CG 3.43Å; V288-L292 PolarHBondContact O-N 3.19Å; L290-L292 PolarHBondContact O-N 2.94Å; L292-G296 PolarHBondContact O-N 3.45Å; L292-L332 HydrophobicContact CD2-CD2 3.56Å; L292-L332 HydrophobicContact CG-CD2 4.22Å; L292-F355 HydrophobicContact CB-CD2 4.21Å; L292-F355 HydrophobicContact CB-CG 4.44Å; L292-F355 HydrophobicContact CD2-CD1 3.73Å; L292-F355 HydrophobicContact CD2-CD2 4.14Å; L292-F355 HydrophobicContact CD2-CE1 3.56Å; L292-F355 HydrophobicContact CD2-CE2 3.99Å; L292-F355 HydrophobicContact CD2-CG 4Å; L292-F355 HydrophobicContact CD2-CZ 3.68Å; L292-F355 WeakPolarHBondContact O-CD2 3.39Å; L292-F355 WeakPolarHBondContact O-CE2 3.27Å; L292-I380 HydrophobicContact CD2-CG2 4.39Å; L292-L384 HydrophobicContact CD1-CD1 4.37Å; L292-L384 HydrophobicContact CD1-CD2 4.14Å; L292-L384 HydrophobicContact CD2-CD1 3.84Å |
| 293 | S | 88.2 | Confident | 86.7 | Confident | 62 Ų | 62 | 21.6 Ų | 21.6 | 43% | 0.434 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -65.9 | -42.3 | 177.6 | 68.7 | 0 | 0 | 0 | 0 | 112.6 | R289 L290 I291 G296 S297 | R289-S293 PolarHBondContact O-N 3.45Å; R289-S293 VanDerWaalsContact O-N 3.09Å; R289-S293 PolarHBondContact O-OG 3.02Å; L290-S293 PolarHBondContact O-N 3.27Å; L290-S293 PolarHBondContact O-OG 2.91Å; I291-S293 VanDerWaalsContact C-N 3.33Å; I291-S293 PolarHBondContact O-N 2.84Å; S293-G296 PolarHBondContact O-N 3.42Å; S293-S297 PolarHBondContact O-N 3.31Å |
| 294 | E | 87.7 | Confident | 86.4 | Confident | 30 Ų | 30 | 27 Ų | 27 | 14% | 0.14 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67 | -46.8 | 178.7 | -74.4 | -67.4 | 163.4 | 0 | 0 | 111.5 | L258 L290 I291 G296 S297 L298 R321 | L258-E294 HydrophobicContact CD1-CB 3.88Å; L258-E294 HydrophobicContact CD1-CG 4Å; L290-E294 WeakPolarHBondContact O-CG 3.26Å; L290-E294 PolarHBondContact O-N 2.73Å; I291-E294 PolarHBondContact O-N 2.91Å; E294-G296 VanDerWaalsContact C-N 3.31Å; E294-G296 PolarHBondContact O-N 3.04Å; E294-S297 PolarHBondContact O-N 3.48Å; E294-S297 PolarHBondContact O-OG 2.68Å; E294-L298 WeakPolarHBondContact O-CB 3.41Å; E294-L298 PolarHBondContact O-N 3.48Å; E294-R321 IonicContact OE2-NH2 2.78Å |
| 295 | I | 88 | Confident | 85.8 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.6 | -40.1 | 177.3 | -68.4 | 165.1 | 0 | 0 | 0 | 110.6 | I291 L298 A299 L329 L332 F355 F373 M377 | I291-I295 HydrophobicContact CG2-CD1 3.33Å; I291-I295 HydrophobicContact CG2-CG1 4.13Å; I291-I295 WeakPolarHBondContact O-CB 3.46Å; I291-I295 WeakPolarHBondContact O-CD1 3.46Å; I291-I295 WeakPolarHBondContact O-CG1 3.46Å; I291-I295 PolarHBondContact O-N 2.69Å; I295-L298 PolarHBondContact O-N 3.18Å; I295-A299 WeakPolarHBondContact O-CB 3.4Å; I295-A299 PolarHBondContact O-N 3.41Å; I295-L329 HydrophobicContact CD1-CD2 3.59Å; I295-L329 HydrophobicContact CD1-CG 3.96Å; I295-L329 HydrophobicContact CG1-CD2 4.31Å; I295-L329 HydrophobicContact CG2-CD2 4.04Å; I295-L332 HydrophobicContact CD1-CD2 4.09Å; I295-F355 HydrophobicContact CG2-CE2 4.24Å; I295-F355 HydrophobicContact CG2-CZ 4.35Å; I295-F373 HydrophobicContact CG2-CE2 4.21Å; I295-F373 HydrophobicContact CG2-CZ 3.86Å; I295-M377 HydrophobicContact CG2-CE 4.01Å; I295-M377 HydrophobicContact CG2-SD 3.18Å; I295-M377 WeakPolarHBondContact CG2-SD 3.17Å |
| 296 | G | 86.3 | Confident | 85.1 | Confident | 6 Ų | 6 | 29.5 Ų | 29.5 | 6% | 0.062 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.9 | -51.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | L292 S293 E294 L298 A299 E300 R358 | L292-G296 PolarHBondContact O-N 3.45Å; S293-G296 PolarHBondContact O-N 3.42Å; E294-G296 VanDerWaalsContact C-N 3.31Å; E294-G296 PolarHBondContact O-N 3.04Å; G296-L298 VanDerWaalsContact C-N 3.26Å; G296-L298 PolarHBondContact O-N 3.24Å; G296-A299 PolarHBondContact O-N 3Å; G296-E300 PolarHBondContact O-N 3.11Å; G296-R358 VanDerWaalsContact C-NH2 3.3Å; G296-R358 PolarHBondContact O-NH2 2.88Å |
| 297 | S | 86.4 | Confident | 84.4 | Confident | 37 Ų | 37 | 35.1 Ų | 35.1 | 26% | 0.259 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.4 | -38.6 | 177.9 | 79.6 | 0 | 0 | 0 | 0 | 112.4 | S293 E294 E300 Q301 | S293-S297 PolarHBondContact O-N 3.31Å; E294-S297 PolarHBondContact O-N 3.48Å; E294-S297 PolarHBondContact O-OG 2.68Å; S297-E300 PolarHBondContact O-N 3.42Å; S297-Q301 WeakPolarHBondContact O-CG 3.45Å; S297-Q301 PolarHBondContact O-N 2.89Å |
| 298 | L | 85.9 | Confident | 83.4 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.1 | -40.9 | 178.3 | -173.3 | 131.9 | 0 | 0 | 0 | 111.9 | E294 I295 G296 E300 Q301 L302 R321 F373 | E294-L298 WeakPolarHBondContact O-CB 3.41Å; E294-L298 PolarHBondContact O-N 3.48Å; I295-L298 PolarHBondContact O-N 3.18Å; G296-L298 VanDerWaalsContact C-N 3.26Å; G296-L298 PolarHBondContact O-N 3.24Å; L298-E300 VanDerWaalsContact C-N 3.31Å; L298-E300 PolarHBondContact O-N 2.96Å; L298-Q301 PolarHBondContact O-N 3.49Å; L298-Q301 VanDerWaalsContact O-N 3.14Å; L298-L302 HydrophobicContact CD2-CD1 3.6Å; L298-L302 HydrophobicContact CD2-CG 4.07Å; L298-L302 HydrophobicContact CG-CD1 4.49Å; L298-L302 HydrophobicContact CG-CG 4.46Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.37Å; L298-L302 PolarHBondContact O-N 2.85Å; L298-R321 HydrophobicContact CD1-CB 4.26Å; L298-R321 HydrophobicContact CD1-CG 3.64Å; L298-F373 HydrophobicContact CD2-CD2 4.09Å; L298-F373 HydrophobicContact CD2-CE2 3.36Å; L298-F373 HydrophobicContact CD2-CZ 3.67Å |
| 299 | A | 84.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | I295 G296 W303 L362 L366 F373 | I295-A299 WeakPolarHBondContact O-CB 3.4Å; I295-A299 PolarHBondContact O-N 3.41Å; G296-A299 PolarHBondContact O-N 3Å; A299-W303 WeakPolarHBondContact O-CB 3.5Å; A299-W303 PolarHBondContact O-N 3.37Å; A299-L362 HydrophobicContact CB-CD1 3.81Å; A299-L366 HydrophobicContact CB-CD1 4.08Å; A299-F373 HydrophobicContact CB-CE1 3.66Å; A299-F373 HydrophobicContact CB-CZ 3.92Å |
| 300 | E | 84.9 | Confident | 79.7 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 172.1 | -88.9 | 169.1 | 174.8 | 0 | 0 | 111.6 | G296 S297 L298 L302 W303 Q304 R358 L362 | G296-E300 PolarHBondContact O-N 3.11Å; S297-E300 PolarHBondContact O-N 3.42Å; L298-E300 VanDerWaalsContact C-N 3.31Å; L298-E300 PolarHBondContact O-N 2.96Å; E300-L302 VanDerWaalsContact C-N 3.33Å; E300-L302 PolarHBondContact O-N 3.45Å; E300-W303 WeakPolarHBondContact O-CB 3.45Å; E300-W303 PolarHBondContact O-N 3.45Å; E300-Q304 VanDerWaalsContact O-CG 3.28Å; E300-Q304 WeakPolarHBondContact O-CG 3.38Å; E300-Q304 PolarHBondContact O-N 3.46Å; E300-R358 VanDerWaalsContact CD-NH2 3.34Å; E300-R358 VanDerWaalsContact CG-CZ 3.47Å; E300-R358 VanDerWaalsContact CG-NH2 3.27Å; E300-R358 IonicContact OE1-CZ 3.01Å; E300-R358 IonicContact OE1-NE 3.23Å; E300-R358 PolarHBondContact OE1-NE 3.47Å; E300-R358 IonicContact OE1-NH1 3.31Å; E300-R358 PolarHBondContact OE1-NH1 2.91Å; E300-R358 IonicContact OE1-NH2 3.45Å; E300-R358 PolarHBondContact OE1-NH2 3.42Å; E300-R358 IonicContact OE2-CZ 2.64Å; E300-R358 IonicContact OE2-NH1 3.49Å; E300-R358 PolarHBondContact OE2-NH1 3.49Å; E300-R358 IonicContact OE2-NH2 3.32Å; E300-L362 HydrophobicContact CG-CD1 4.42Å |
| 301 | Q | 83.6 | Confident | 77.7 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 41% | 0.407 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 179.6 | -73.6 | 178.6 | -37.3 | 0 | 0 | 111.7 | S297 L298 W303 Q304 T305 | S297-Q301 WeakPolarHBondContact O-CG 3.45Å; S297-Q301 PolarHBondContact O-N 2.89Å; L298-Q301 PolarHBondContact O-N 3.49Å; L298-Q301 VanDerWaalsContact O-N 3.14Å; Q301-W303 VanDerWaalsContact C-N 3.32Å; Q301-W303 PolarHBondContact O-N 3.14Å; Q301-Q304 PolarHBondContact O-N 3.32Å; Q301-T305 VanDerWaalsContact O-CG2 3.32Å; Q301-T305 WeakPolarHBondContact O-CG2 3.29Å; Q301-T305 PolarHBondContact O-N 3.13Å; Q301-T305 PolarHBondContact O-OG1 3.37Å; Q301-T305 VanDerWaalsContact O-OG1 3.07Å |
| 302 | L | 80.9 | Confident | 75.8 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 174.6 | -70.1 | 177.6 | 0 | 0 | 0 | 111.1 | L298 E300 T305 S306 F317 Y322 L366 F370 F373 | L298-L302 HydrophobicContact CD2-CD1 3.6Å; L298-L302 HydrophobicContact CD2-CG 4.07Å; L298-L302 HydrophobicContact CG-CD1 4.49Å; L298-L302 HydrophobicContact CG-CG 4.46Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.37Å; L298-L302 PolarHBondContact O-N 2.85Å; E300-L302 VanDerWaalsContact C-N 3.33Å; E300-L302 PolarHBondContact O-N 3.45Å; L302-T305 WeakPolarHBondContact CA-OG1 3.25Å; L302-T305 PolarHBondContact O-N 3.08Å; L302-T305 PolarHBondContact O-OG1 3.26Å; L302-S306 PolarHBondContact O-N 3.29Å; L302-S306 PolarHBondContact O-OG 2.83Å; L302-F317 HydrophobicContact CD2-CE2 3.48Å; L302-F317 VanDerWaalsContact CD2-CE2 3.48Å; L302-F317 HydrophobicContact CD2-CZ 3.55Å; L302-Y322 HydrophobicContact CD1-CD2 3.84Å; L302-Y322 HydrophobicContact CD1-CE2 4.2Å; L302-Y322 HydrophobicContact CD2-CD2 3.99Å; L302-L366 HydrophobicContact CB-CD2 3.83Å; L302-F370 HydrophobicContact CB-CD2 4.2Å; L302-F370 HydrophobicContact CB-CE2 4.06Å; L302-F370 HydrophobicContact CD2-CE1 4.2Å; L302-F370 HydrophobicContact CD2-CE2 4.32Å; L302-F370 HydrophobicContact CD2-CZ 4.08Å; L302-F373 HydrophobicContact CD1-CD1 3.94Å; L302-F373 HydrophobicContact CD1-CD2 4.22Å; L302-F373 HydrophobicContact CD1-CE1 4.07Å; L302-F373 HydrophobicContact CD1-CE2 4.36Å; L302-F373 HydrophobicContact CD1-CG 4.01Å; L302-F373 HydrophobicContact CD1-CZ 4.28Å |
| 303 | W | 80.5 | Confident | 74 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 21% | 0.205 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.6 | 172.9 | -114.9 | 0 | 0 | 0 | 112.4 | A299 E300 Q301 T305 S306 Q307 L362 L365 L366 | A299-W303 WeakPolarHBondContact O-CB 3.5Å; A299-W303 PolarHBondContact O-N 3.37Å; E300-W303 WeakPolarHBondContact O-CB 3.45Å; E300-W303 PolarHBondContact O-N 3.45Å; Q301-W303 VanDerWaalsContact C-N 3.32Å; Q301-W303 PolarHBondContact O-N 3.14Å; W303-T305 VanDerWaalsContact C-N 3.32Å; W303-T305 PolarHBondContact O-N 3.03Å; W303-S306 WeakPolarHBondContact CA-OG 3.25Å; W303-S306 PolarHBondContact O-N 3.3Å; W303-S306 PolarHBondContact O-OG 3.45Å; W303-Q307 HydrophobicContact CD2-CG 4.22Å; W303-Q307 HydrophobicContact CE3-CG 4.47Å; W303-Q307 HydrophobicContact CH2-CG 4.12Å; W303-Q307 VanDerWaalsContact CH2-OE1 3.3Å; W303-Q307 VanDerWaalsContact CZ2-CD 3.49Å; W303-Q307 HydrophobicContact CZ2-CG 3.85Å; W303-Q307 HydrophobicContact CZ3-CG 4.41Å; W303-Q307 VanDerWaalsContact O-CG 3.25Å; W303-Q307 WeakPolarHBondContact O-CG 3.4Å; W303-Q307 PolarHBondContact O-N 2.82Å; W303-L362 HydrophobicContact CB-CD2 4.12Å; W303-L362 HydrophobicContact CG-CD2 4.08Å; W303-L365 HydrophobicContact CD2-CB 4.27Å; W303-L365 HydrophobicContact CD2-CD1 4.34Å; W303-L365 HydrophobicContact CE3-CB 3.71Å; W303-L365 HydrophobicContact CH2-CB 3.99Å; W303-L365 HydrophobicContact CH2-CD1 4.14Å; W303-L365 HydrophobicContact CH2-CD2 3.73Å; W303-L365 HydrophobicContact CH2-CG 4.17Å; W303-L365 HydrophobicContact CZ2-CD1 3.91Å; W303-L365 HydrophobicContact CZ2-CD2 4.21Å; W303-L365 HydrophobicContact CZ2-CG 4.44Å; W303-L365 HydrophobicContact CZ3-CB 3.57Å; W303-L365 HydrophobicContact CZ3-CD1 4.45Å; W303-L365 HydrophobicContact CZ3-CD2 4.15Å; W303-L365 HydrophobicContact CZ3-CG 4.26Å; W303-L366 HydrophobicContact CB-CD2 3.99Å |
| 304 | Q | 81.3 | Confident | 72 | Confident | 115 Ų | 115 | 67.7 Ų | 67.7 | 54% | 0.537 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 176.8 | -65 | -59.2 | -20.8 | 0 | 0 | 111.3 | E300 Q301 Q307 V308 | E300-Q304 VanDerWaalsContact O-CG 3.28Å; E300-Q304 WeakPolarHBondContact O-CG 3.38Å; E300-Q304 PolarHBondContact O-N 3.46Å; Q301-Q304 PolarHBondContact O-N 3.32Å; Q304-Q307 PolarHBondContact O-N 3.21Å; Q304-V308 WeakPolarHBondContact O-CG2 3.35Å; Q304-V308 PolarHBondContact O-N 3.24Å |
| 305 | T | 75.1 | Confident | 70.1 | Confident | 49 Ų | 49 | 77.7 Ų | 77.7 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.7 | -31.7 | 176.9 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | Q301 L302 W303 Q307 | Q301-T305 VanDerWaalsContact O-CG2 3.32Å; Q301-T305 WeakPolarHBondContact O-CG2 3.29Å; Q301-T305 PolarHBondContact O-N 3.13Å; Q301-T305 PolarHBondContact O-OG1 3.37Å; Q301-T305 VanDerWaalsContact O-OG1 3.07Å; L302-T305 WeakPolarHBondContact CA-OG1 3.25Å; L302-T305 PolarHBondContact O-N 3.08Å; L302-T305 PolarHBondContact O-OG1 3.26Å; W303-T305 VanDerWaalsContact C-N 3.32Å; W303-T305 PolarHBondContact O-N 3.03Å; T305-Q307 VanDerWaalsContact C-N 3.3Å |
| 306 | S | 73.1 | Confident | 68.6 | Low | 21 Ų | 21 | 83 Ų | 83 | 15% | 0.147 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -72.5 | -24.2 | 175.5 | 57.1 | 0 | 0 | 0 | 0 | 113 | L302 W303 | L302-S306 PolarHBondContact O-N 3.29Å; L302-S306 PolarHBondContact O-OG 2.83Å; W303-S306 WeakPolarHBondContact CA-OG 3.25Å; W303-S306 PolarHBondContact O-N 3.3Å; W303-S306 PolarHBondContact O-OG 3.45Å |
| 307 | Q | 71.9 | Confident | 67.5 | Low | 120 Ų | 120 | 85.3 Ų | 85.3 | 56% | 0.561 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -79.7 | -21.6 | 178 | -66 | -73.7 | 92.5 | 0 | 0 | 113.1 | W303 Q304 T305 Q309 | W303-Q307 HydrophobicContact CD2-CG 4.22Å; W303-Q307 HydrophobicContact CE3-CG 4.47Å; W303-Q307 HydrophobicContact CH2-CG 4.12Å; W303-Q307 VanDerWaalsContact CH2-OE1 3.3Å; W303-Q307 VanDerWaalsContact CZ2-CD 3.49Å; W303-Q307 HydrophobicContact CZ2-CG 3.85Å; W303-Q307 HydrophobicContact CZ3-CG 4.41Å; W303-Q307 VanDerWaalsContact O-CG 3.25Å; W303-Q307 WeakPolarHBondContact O-CG 3.4Å; W303-Q307 PolarHBondContact O-N 2.82Å; Q304-Q307 PolarHBondContact O-N 3.21Å; T305-Q307 VanDerWaalsContact C-N 3.3Å; Q307-Q309 PolarHBondContact O-N 3.07Å |
| 308 | V | 68 | Low | 66.7 | Low | 91 Ų | 91 | 86.2 Ų | 86.2 | 55% | 0.552 | 45% | 0.447 | S | S | * | . | trans | -93.7 | 73.2 | -177.7 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | Q304 A313 | Q304-V308 WeakPolarHBondContact O-CG2 3.35Å; Q304-V308 PolarHBondContact O-N 3.24Å; V308-A313 WeakPolarHBondContact O-CB 3.32Å | ||
| 309 | Q | 52.1 | Low | 66.2 | Low | 155 Ų | 155 | 90 Ų | 90 | 72% | 0.724 | 47% | 0.467 | S | S | * | . | trans | -87.1 | 108.9 | 172.7 | -161.8 | 100.1 | -0.4 | 0 | 0 | 109.3 | Q307 | Q307-Q309 PolarHBondContact O-N 3.07Š| ||
| 310 | E | 47.6 | Very low | 65.8 | Low | 161 Ų | 161 | 93.8 Ų | 93.8 | 75% | 0.752 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 172.9 | 103.2 | 139.4 | -93.6 | 165.1 | -158.9 | 0 | 0 | 110.4 | S312 | E310-S312 VanDerWaalsContact C-N 3.32Å; E310-S312 PolarHBondContact O-N 2.87Å |
| 311 | S | 47.4 | Very low | 65.5 | Low | 123 Ų | 123 | 91.9 Ų | 91.9 | 86% | 0.86 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 66.5 | -19.5 | 161.3 | 66.9 | 0 | 0 | 0 | 0 | 121.1 | ||
| 312 | S | 50.6 | Low | 65.3 | Low | 83 Ų | 83 | 89 Ų | 89 | 58% | 0.58 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -110.7 | -23.4 | -179.9 | 53.4 | 0 | 0 | 0 | 0 | 115.1 | E310 L314 | E310-S312 VanDerWaalsContact C-N 3.32Å; E310-S312 PolarHBondContact O-N 2.87Å; S312-L314 PolarHBondContact O-N 2.98Å |
| 313 | A | 49.2 | Very low | 65.2 | Low | 33 Ų | 33 | 91 Ų | 91 | 27% | 0.273 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -70.2 | -30.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V308 R315 T316 F317 | V308-A313 WeakPolarHBondContact O-CB 3.32Å; A313-R315 PolarHBondContact O-N 3.33Å; A313-T316 PolarHBondContact O-N 3.48Å; A313-T316 VanDerWaalsContact O-N 3.11Å; A313-F317 PolarHBondContact O-N 3.37Å |
| 314 | L | 47.3 | Very low | 65.3 | Low | 163 Ų | 163 | 88.4 Ų | 88.4 | 85% | 0.853 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -67 | -17.6 | -179.8 | -76.7 | 167.2 | 0 | 0 | 0 | 114.1 | S312 | S312-L314 PolarHBondContact O-N 2.98Š|
| 315 | R | 46.8 | Very low | 65.5 | Low | 241 Ų | 241 | 83 Ų | 83 | 91% | 0.909 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -89.9 | -11.2 | 174.5 | -77.1 | -168.7 | 171.9 | -173.6 | -1.2 | 113.8 | A313 | A313-R315 PolarHBondContact O-N 3.33Š|
| 316 | T | 56.3 | Low | 65.8 | Low | 112 Ų | 112 | 81.4 Ų | 81.4 | 69% | 0.687 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -123.5 | 15 | -174.6 | -35.6 | 0 | 0 | 0 | 0 | 111.6 | A313 P318 | A313-T316 PolarHBondContact O-N 3.48Å; A313-T316 VanDerWaalsContact O-N 3.11Å; T316-P318 WeakPolarHBondContact O-CD 3.46Å |
| 317 | F | 64.6 | Low | 66.2 | Low | 55 Ų | 55 | 81.3 Ų | 81.3 | 24% | 0.241 | 42% | 0.424 | C | S | . | . | trans | -69.6 | 120.5 | 171.7 | -176.6 | -102.7 | 0 | 0 | 0 | 108.5 | L302 A313 L319 Y322 F370 | L302-F317 HydrophobicContact CD2-CE2 3.48Å; L302-F317 VanDerWaalsContact CD2-CE2 3.48Å; L302-F317 HydrophobicContact CD2-CZ 3.55Å; A313-F317 PolarHBondContact O-N 3.37Å; F317-L319 HydrophobicContact CD1-CB 4.04Å; F317-L319 HydrophobicContact CD1-CD1 4.31Å; F317-L319 HydrophobicContact CE1-CB 4.36Å; F317-L319 HydrophobicContact CE1-CD1 4.03Å; F317-L319 PolarHBondContact O-N 3.18Å; F317-Y322 HydrophobicContact CE1-CG 4.4Å; F317-Y322 HydrophobicContact CZ-CD2 4.4Å; F317-Y322 HydrophobicContact CZ-CG 4.26Å; F317-F370 HydrophobicContact CD2-CZ 4.41Å; F317-F370 HydrophobicContact CE1-CE1 4.3Å; F317-F370 AromaticContact CE2-CE1 3.56Å; F317-F370 HydrophobicContact CE2-CE1 3.56Å; F317-F370 AromaticContact CE2-CZ 3.41Å; F317-F370 HydrophobicContact CE2-CZ 3.41Å; F317-F370 VanDerWaalsContact CE2-CZ 3.41Å; F317-F370 HydrophobicContact CZ-CD1 4.29Å; F317-F370 AromaticContact CZ-CE1 3.31Å; F317-F370 HydrophobicContact CZ-CE1 3.31Å; F317-F370 AromaticContact CZ-CZ 3.73Å; F317-F370 HydrophobicContact CZ-CZ 3.73Å | ||
| 318 | P | 69.6 | Low | 66.9 | Low | 55 Ų | 55 | 75.6 Ų | 75.6 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | trans | -76.4 | 70.5 | -178.1 | 33 | -35.2 | 0 | 0 | 0 | 109.9 | T316 D320 R321 Y322 | T316-P318 WeakPolarHBondContact O-CD 3.46Å; P318-D320 PolarHBondContact O-N 3.47Å; P318-R321 HydrophobicContact CB-CB 3.96Å; P318-R321 WeakPolarHBondContact O-CB 3.28Å; P318-R321 PolarHBondContact O-N 2.97Å; P318-Y322 PolarHBondContact O-N 3.23Å | ||
| 319 | L | 75.1 | Confident | 67.7 | Low | 86 Ų | 86 | 71.3 Ų | 71.3 | 45% | 0.45 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.8 | -42.8 | -177.6 | -177.3 | 62.7 | 0 | 0 | 0 | 110.9 | F317 R321 Y322 Q323 | F317-L319 HydrophobicContact CD1-CB 4.04Å; F317-L319 HydrophobicContact CD1-CD1 4.31Å; F317-L319 HydrophobicContact CE1-CB 4.36Å; F317-L319 HydrophobicContact CE1-CD1 4.03Å; F317-L319 PolarHBondContact O-N 3.18Å; L319-R321 VanDerWaalsContact C-N 3.28Å; L319-R321 PolarHBondContact O-N 3.33Å; L319-Y322 WeakPolarHBondContact O-CB 3.45Å; L319-Y322 PolarHBondContact O-N 3.46Å; L319-Q323 HydrophobicContact CD1-CG 4.29Å; L319-Q323 HydrophobicContact CG-CG 4.34Å; L319-Q323 VanDerWaalsContact O-CG 3.27Å; L319-Q323 WeakPolarHBondContact O-CG 3.36Å; L319-Q323 PolarHBondContact O-N 3.07Å |
| 320 | D | 75.6 | Confident | 69.4 | Low | 81 Ų | 81 | 66.7 Ų | 66.7 | 43% | 0.433 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58 | -43.6 | 177.4 | -56.8 | -34.1 | 0 | 0 | 0 | 111 | P318 Q323 N324 | P318-D320 PolarHBondContact O-N 3.47Å; D320-Q323 PolarHBondContact O-N 3.47Å; D320-N324 WeakPolarHBondContact O-CB 3.44Å; D320-N324 PolarHBondContact O-N 2.81Å; D320-N324 PolarHBondContact O-ND2 3.26Å; D320-N324 VanDerWaalsContact O-ND2 3.09Å |
| 321 | R | 79.3 | Confident | 71.2 | Confident | 42 Ų | 42 | 59 Ų | 59 | 16% | 0.158 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.5 | -38.1 | -179.4 | -153.7 | -177.1 | 178.2 | -167.4 | -7.9 | 111.7 | L258 E294 L298 P318 L319 S325 | L258-R321 HydrophobicContact CD2-CG 4.4Å; E294-R321 IonicContact OE2-NH2 2.78Å; L298-R321 HydrophobicContact CD1-CB 4.26Å; L298-R321 HydrophobicContact CD1-CG 3.64Å; P318-R321 HydrophobicContact CB-CB 3.96Å; P318-R321 WeakPolarHBondContact O-CB 3.28Å; P318-R321 PolarHBondContact O-N 2.97Å; L319-R321 VanDerWaalsContact C-N 3.28Å; L319-R321 PolarHBondContact O-N 3.33Å; R321-S325 WeakPolarHBondContact O-CB 3.5Å; R321-S325 PolarHBondContact O-N 3.27Å |
| 322 | Y | 79.1 | Confident | 73.2 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 10% | 0.102 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 172.4 | 173.7 | -96.6 | 0 | 0 | 0 | 111.3 | L302 F317 P318 L319 S325 F370 F373 | L302-Y322 HydrophobicContact CD1-CD2 3.84Å; L302-Y322 HydrophobicContact CD1-CE2 4.2Å; L302-Y322 HydrophobicContact CD2-CD2 3.99Å; F317-Y322 HydrophobicContact CE1-CG 4.4Å; F317-Y322 HydrophobicContact CZ-CD2 4.4Å; F317-Y322 HydrophobicContact CZ-CG 4.26Å; P318-Y322 PolarHBondContact O-N 3.23Å; L319-Y322 WeakPolarHBondContact O-CB 3.45Å; L319-Y322 PolarHBondContact O-N 3.46Å; Y322-S325 WeakPolarHBondContact O-CB 3.32Å; Y322-S325 PolarHBondContact O-N 3.05Å; Y322-S325 PolarHBondContact O-OG 3.21Å; Y322-F370 HydrophobicContact CD2-CD1 4.22Å; Y322-F370 HydrophobicContact CE2-CB 4.2Å; Y322-F370 AromaticContact CE2-CD1 3.7Å; Y322-F370 HydrophobicContact CE2-CD1 3.7Å; Y322-F370 HydrophobicContact CE2-CG 4.25Å; Y322-F373 HydrophobicContact CE2-CB 3.68Å; Y322-F373 HydrophobicContact CE2-CD2 4.48Å; Y322-F373 HydrophobicContact CE2-CG 4.33Å |
| 323 | Q | 78.9 | Confident | 74.9 | Confident | 44 Ų | 44 | 50.2 Ų | 50.2 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 179 | -68.3 | -178.5 | -10.5 | 0 | 0 | 111.7 | F132 L319 D320 S325 C326 | F132-Q323 HydrophobicContact CE1-CB 4.47Å; F132-Q323 HydrophobicContact CE1-CG 4.28Å; F132-Q323 HydrophobicContact CZ-CG 4Å; L319-Q323 HydrophobicContact CD1-CG 4.29Å; L319-Q323 HydrophobicContact CG-CG 4.34Å; L319-Q323 VanDerWaalsContact O-CG 3.27Å; L319-Q323 WeakPolarHBondContact O-CG 3.36Å; L319-Q323 PolarHBondContact O-N 3.07Å; D320-Q323 PolarHBondContact O-N 3.47Å; Q323-S325 PolarHBondContact O-N 3.38Å; Q323-C326 VanDerWaalsContact O-CB 3.31Å; Q323-C326 WeakPolarHBondContact O-CB 3.48Å; Q323-C326 PolarHBondContact O-N 3.49Å; Q323-C326 VanDerWaalsContact O-N 3.15Å |
| 324 | N | 83.2 | Confident | 76.7 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.6 | -27.4 | 178.4 | -68.4 | -21.8 | 0 | 0 | 0 | 112.6 | L257 L258 S260 D320 C326 H327 L328 | L257-N324 VanDerWaalsContact O-CB 3.27Å; L257-N324 WeakPolarHBondContact O-CB 3.34Å; L257-N324 VanDerWaalsContact O-CG 3.29Å; L257-N324 PolarHBondContact O-ND2 3.36Å; L258-N324 WeakPolarHBondContact O-CB 3.5Å; L258-N324 PolarHBondContact O-ND2 2.92Å; S260-N324 PolarHBondContact O-ND2 3.26Å; S260-N324 PolarHBondContact OG-ND2 3.45Å; D320-N324 WeakPolarHBondContact O-CB 3.44Å; D320-N324 PolarHBondContact O-N 2.81Å; D320-N324 PolarHBondContact O-ND2 3.26Å; D320-N324 VanDerWaalsContact O-ND2 3.09Å; N324-C326 PolarHBondContact O-N 3.11Å; N324-H327 WeakPolarHBondContact O-CB 3.34Å; N324-H327 PolarHBondContact O-N 3.22Å; N324-H327 VanDerWaalsContact O-N 3.07Å; N324-L328 PolarHBondContact O-N 2.77Å |
| 325 | S | 85.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -31.5 | 175 | 82.3 | 0 | 0 | 0 | 0 | 112.5 | R321 Y322 Q323 H327 L328 L329 | R321-S325 WeakPolarHBondContact O-CB 3.5Å; R321-S325 PolarHBondContact O-N 3.27Å; Y322-S325 WeakPolarHBondContact O-CB 3.32Å; Y322-S325 PolarHBondContact O-N 3.05Å; Y322-S325 PolarHBondContact O-OG 3.21Å; Q323-S325 PolarHBondContact O-N 3.38Å; S325-H327 VanDerWaalsContact C-N 3.26Å; S325-H327 PolarHBondContact O-N 2.91Å; S325-L328 PolarHBondContact O-N 3.07Å; S325-L328 VanDerWaalsContact O-N 3.12Å; S325-L329 WeakPolarHBondContact O-CD1 3.35Å; S325-L329 VanDerWaalsContact O-CG 3.29Å; S325-L329 WeakPolarHBondContact O-CG 3.33Å; S325-L329 PolarHBondContact O-N 2.95Å |
| 326 | C | 80.9 | Confident | 80.2 | Confident | 17 Ų | 17 | 36.8 Ų | 36.8 | 12% | 0.115 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.7 | -35.4 | 174.7 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | Q323 N324 W330 L376 | Q323-C326 VanDerWaalsContact O-CB 3.31Å; Q323-C326 WeakPolarHBondContact O-CB 3.48Å; Q323-C326 PolarHBondContact O-N 3.49Å; Q323-C326 VanDerWaalsContact O-N 3.15Å; N324-C326 PolarHBondContact O-N 3.11Å; C326-W330 WeakPolarHBondContact O-CB 3.45Å; C326-W330 PolarHBondContact O-N 2.95Å; C326-L376 HydrophobicContact CB-CD1 4.35Å |
| 327 | H | 82.6 | Confident | 81.4 | Confident | 19 Ų | 19 | 34.7 Ų | 34.7 | 9% | 0.088 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.4 | -39.7 | 174.7 | -62.3 | -57.8 | 0 | 0 | 0 | 111.6 | L257 E268 N324 S325 W330 V331 | L257-H327 HydrophobicContact CD1-CB 4.42Å; L257-H327 HydrophobicContact CD2-CB 3.82Å; L257-H327 HydrophobicContact CG-CB 4.29Å; E268-H327 IonicContact OE1-CE1 2.82Å; E268-H327 PolarHBondContact OE1-CE1 3.33Å; E268-H327 VanDerWaalsContact OE1-CE1 3.3Å; E268-H327 IonicContact OE1-ND1 3.85Å; N324-H327 WeakPolarHBondContact O-CB 3.34Å; N324-H327 PolarHBondContact O-N 3.22Å; N324-H327 VanDerWaalsContact O-N 3.07Å; S325-H327 VanDerWaalsContact C-N 3.26Å; S325-H327 PolarHBondContact O-N 2.91Å; H327-W330 WeakPolarHBondContact O-CB 3.2Å; H327-W330 PolarHBondContact O-N 3.47Å; H327-V331 WeakPolarHBondContact O-CG2 3.41Å; H327-V331 PolarHBondContact O-N 3.28Å |
| 328 | L | 86.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.2 | -42.9 | 174.7 | -75.6 | -167.9 | 0 | 0 | 0 | 113.1 | T254 L257 L258 L274 I291 N324 S325 W330 V331 L332 | T254-L328 HydrophobicContact CG2-CD1 3.84Å; T254-L328 HydrophobicContact CG2-CD2 3.75Å; L257-L328 HydrophobicContact CB-CD2 4.48Å; L257-L328 HydrophobicContact CD2-CD2 3.5Å; L257-L328 VanDerWaalsContact CD2-CD2 3.5Å; L257-L328 HydrophobicContact CD2-CG 4.04Å; L257-L328 HydrophobicContact CG-CD2 4.48Å; L258-L328 HydrophobicContact CD1-CD1 3.55Å; L258-L328 HydrophobicContact CD2-CD1 3.53Å; L258-L328 HydrophobicContact CD2-CG 4.18Å; L258-L328 HydrophobicContact CG-CD1 3.41Å; L258-L328 VanDerWaalsContact CG-CD1 3.41Å; L258-L328 HydrophobicContact CG-CG 4.19Å; L274-L328 HydrophobicContact CD1-CD2 4.5Å; I291-L328 HydrophobicContact CG1-CD2 4.27Å; I291-L328 HydrophobicContact CG2-CB 4.06Å; I291-L328 HydrophobicContact CG2-CD1 4.47Å; N324-L328 PolarHBondContact O-N 2.77Å; S325-L328 PolarHBondContact O-N 3.07Å; S325-L328 VanDerWaalsContact O-N 3.12Å; L328-W330 PolarHBondContact O-N 2.79Å; L328-V331 PolarHBondContact O-N 2.96Å; L328-L332 WeakPolarHBondContact O-CB 3.28Å; L328-L332 PolarHBondContact O-N 3.32Å |
| 329 | L | 85.2 | Confident | 81.6 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -39.5 | 174.5 | -69.5 | 159.4 | 0 | 0 | 0 | 110.1 | I295 S325 L332 E333 F373 L376 M377 I380 | I295-L329 HydrophobicContact CD1-CD2 3.59Å; I295-L329 HydrophobicContact CD1-CG 3.96Å; I295-L329 HydrophobicContact CG1-CD2 4.31Å; I295-L329 HydrophobicContact CG2-CD2 4.04Å; S325-L329 WeakPolarHBondContact O-CD1 3.35Å; S325-L329 VanDerWaalsContact O-CG 3.29Å; S325-L329 WeakPolarHBondContact O-CG 3.33Å; S325-L329 PolarHBondContact O-N 2.95Å; L329-L332 PolarHBondContact O-N 3.39Å; L329-E333 WeakPolarHBondContact O-CB 3.12Å; L329-E333 PolarHBondContact O-N 2.85Å; L329-F373 HydrophobicContact CD1-CD2 3.94Å; L329-F373 HydrophobicContact CD1-CE2 4.02Å; L329-L376 HydrophobicContact CB-CB 4.33Å; L329-L376 HydrophobicContact CB-CD1 4.38Å; L329-L376 HydrophobicContact CD1-CB 3.79Å; L329-L376 HydrophobicContact CD1-CD1 3.81Å; L329-L376 HydrophobicContact CD1-CG 4.47Å; L329-L376 HydrophobicContact CD2-CB 4.39Å; L329-L376 HydrophobicContact CG-CB 4.41Å; L329-M377 HydrophobicContact CD2-CG 4.46Å; L329-M377 HydrophobicContact CD2-SD 4.05Å; L329-I380 HydrophobicContact CB-CD1 3.87Å; L329-I380 HydrophobicContact CD2-CD1 3.23Å; L329-I380 HydrophobicContact CG-CD1 4.15Å |
| 330 | W | 86.1 | Confident | 81.3 | Confident | 58 Ų | 58 | 38.3 Ų | 38.3 | 22% | 0.22 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 173.9 | -177.8 | 94.1 | 0 | 0 | 0 | 113.2 | K271 V275 C326 H327 L328 L332 E333 R334 | K271-W330 HydrophobicContact CB-CE3 4.45Å; K271-W330 HydrophobicContact CB-CZ3 4.43Å; K271-W330 HydrophobicContact CD-CE3 3.95Å; K271-W330 HydrophobicContact CD-CZ3 4.11Å; K271-W330 HydrophobicContact CG-CE3 4.37Å; K271-W330 HydrophobicContact CG-CZ3 4.18Å; V275-W330 HydrophobicContact CG2-CE3 4.41Å; V275-W330 HydrophobicContact CG2-CH2 4.37Å; V275-W330 HydrophobicContact CG2-CZ3 3.69Å; C326-W330 WeakPolarHBondContact O-CB 3.45Å; C326-W330 PolarHBondContact O-N 2.95Å; H327-W330 WeakPolarHBondContact O-CB 3.2Å; H327-W330 PolarHBondContact O-N 3.47Å; L328-W330 PolarHBondContact O-N 2.79Å; W330-L332 VanDerWaalsContact C-N 3.3Å; W330-L332 PolarHBondContact O-N 3.08Å; W330-E333 PolarHBondContact O-N 3.4Å; W330-R334 HydrophobicContact CD2-CG 4.07Å; W330-R334 HydrophobicContact CE3-CG 4.17Å; W330-R334 HydrophobicContact CH2-CG 3.93Å; W330-R334 HydrophobicContact CZ2-CG 3.81Å; W330-R334 HydrophobicContact CZ3-CG 4.11Å; W330-R334 WeakPolarHBondContact O-CG 3.45Å; W330-R334 PolarHBondContact O-N 2.78Å |
| 331 | V | 87.1 | Confident | 81 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.4 | -47 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 109.6 | K271 L274 V275 I291 H327 L328 E333 R334 L335 | K271-V331 HydrophobicContact CB-CG2 3.7Å; L274-V331 HydrophobicContact CB-CG1 4.11Å; L274-V331 HydrophobicContact CB-CG2 4.4Å; V275-V331 HydrophobicContact CG2-CB 4.32Å; V275-V331 HydrophobicContact CG2-CG1 4.01Å; V275-V331 HydrophobicContact CG2-CG2 4.16Å; I291-V331 HydrophobicContact CD1-CB 4.43Å; I291-V331 HydrophobicContact CD1-CG1 3.85Å; H327-V331 WeakPolarHBondContact O-CG2 3.41Å; H327-V331 PolarHBondContact O-N 3.28Å; L328-V331 PolarHBondContact O-N 2.96Å; V331-E333 PolarHBondContact O-N 2.91Å; V331-R334 PolarHBondContact O-N 3.11Å; V331-L335 HydrophobicContact CG1-CD1 3.98Å; V331-L335 HydrophobicContact CG1-CG 4.33Å; V331-L335 WeakPolarHBondContact O-CG 3.16Å; V331-L335 PolarHBondContact O-N 3.32Å |
| 332 | L | 87.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 179.2 | -177.4 | 58.8 | 0 | 0 | 0 | 111.6 | V288 I291 L292 I295 L328 L329 W330 R334 L335 L336 I380 | V288-L332 HydrophobicContact CB-CD1 4.22Å; V288-L332 HydrophobicContact CG1-CD1 3.9Å; V288-L332 HydrophobicContact CG2-CD1 3.96Å; I291-L332 HydrophobicContact CG2-CB 3.97Å; I291-L332 HydrophobicContact CG2-CD2 4.05Å; I291-L332 HydrophobicContact CG2-CG 4.44Å; L292-L332 HydrophobicContact CD2-CD2 3.56Å; L292-L332 HydrophobicContact CG-CD2 4.22Å; I295-L332 HydrophobicContact CD1-CD2 4.09Å; L328-L332 WeakPolarHBondContact O-CB 3.28Å; L328-L332 PolarHBondContact O-N 3.32Å; L329-L332 PolarHBondContact O-N 3.39Å; W330-L332 VanDerWaalsContact C-N 3.3Å; W330-L332 PolarHBondContact O-N 3.08Å; L332-R334 VanDerWaalsContact C-N 3.29Å; L332-R334 PolarHBondContact O-N 3.38Å; L332-L335 PolarHBondContact O-N 2.71Å; L332-L336 HydrophobicContact CD1-CD1 3.87Å; L332-L336 HydrophobicContact CD1-CG 3.98Å; L332-L336 HydrophobicContact CG-CD1 3.84Å; L332-L336 HydrophobicContact CG-CG 4.34Å; L332-L336 WeakPolarHBondContact O-CB 3.11Å; L332-L336 VanDerWaalsContact O-CG 3.26Å; L332-L336 WeakPolarHBondContact O-CG 3.49Å; L332-L336 PolarHBondContact O-N 3.34Å; L332-I380 HydrophobicContact CB-CD1 4.38Å; L332-I380 HydrophobicContact CD2-CD1 3.89Å; L332-I380 HydrophobicContact CD2-CG1 4.24Å; L332-I380 HydrophobicContact CD2-CG2 3.57Å; L332-I380 HydrophobicContact CG-CD1 4.3Å; L332-I380 HydrophobicContact CG-CG1 4.39Å; L332-I380 HydrophobicContact CG-CG2 4.2Å |
| 333 | E | 86 | Confident | 80.2 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.9 | -43.5 | 175.6 | -163.5 | -166.2 | 135.3 | 0 | 0 | 111.6 | L329 W330 V331 L336 S337 R379 L383 | L329-E333 WeakPolarHBondContact O-CB 3.12Å; L329-E333 PolarHBondContact O-N 2.85Å; W330-E333 PolarHBondContact O-N 3.4Å; V331-E333 PolarHBondContact O-N 2.91Å; E333-L336 PolarHBondContact O-N 3.45Å; E333-S337 VanDerWaalsContact O-CB 3.3Å; E333-S337 WeakPolarHBondContact O-CB 3.4Å; E333-S337 PolarHBondContact O-N 3.08Å; E333-S337 PolarHBondContact O-OG 3.26Å; E333-R379 IonicContact OE1-CZ 3.34Å; E333-R379 IonicContact OE1-NE 3.61Å; E333-R379 PolarHBondContact OE1-NE 2.82Å; E333-R379 IonicContact OE1-NH1 3.47Å; E333-R379 PolarHBondContact OE1-NH1 2.83Å; E333-R379 IonicContact OE1-NH2 2.78Å; E333-R379 PolarHBondContact OE1-NH2 3.34Å; E333-R379 IonicContact OE2-CZ 4Å; E333-R379 VanDerWaalsContact OE2-CZ 3.22Å; E333-R379 IonicContact OE2-NE 3.81Å; E333-R379 PolarHBondContact OE2-NE 3Å; E333-R379 IonicContact OE2-NH1 3.83Å; E333-R379 PolarHBondContact OE2-NH1 2.89Å; E333-R379 IonicContact OE2-NH2 3.05Å; E333-L383 HydrophobicContact CG-CD1 3.65Å |
| 334 | R | 87.3 | Confident | 79.7 | Confident | 137 Ų | 137 | 42.5 Ų | 42.5 | 52% | 0.517 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.3 | -40.2 | 178.7 | -69.7 | -71.7 | 166.1 | 175.3 | -4.8 | 112.6 | V275 W330 V331 L332 | V275-R334 HydrophobicContact CG1-CB 4.39Å; V275-R334 HydrophobicContact CG2-CB 4.06Å; W330-R334 HydrophobicContact CD2-CG 4.07Å; W330-R334 HydrophobicContact CE3-CG 4.17Å; W330-R334 HydrophobicContact CH2-CG 3.93Å; W330-R334 HydrophobicContact CZ2-CG 3.81Å; W330-R334 HydrophobicContact CZ3-CG 4.11Å; W330-R334 WeakPolarHBondContact O-CG 3.45Å; W330-R334 PolarHBondContact O-N 2.78Å; V331-R334 PolarHBondContact O-N 3.11Å; L332-R334 VanDerWaalsContact C-N 3.29Å; L332-R334 PolarHBondContact O-N 3.38Å |
| 335 | L | 85.8 | Confident | 79.1 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.4 | -42.4 | 176.3 | -65.6 | 177.4 | 0 | 0 | 0 | 111.1 | K284 L287 V288 V331 L332 | K284-L335 WeakPolarHBondContact CE-O 3.38Å; K284-L335 HydrophobicContact CG-CD2 4.46Å; K284-L335 PolarHBondContact NZ-O 3.36Å; L287-L335 HydrophobicContact CB-CD1 4.03Å; L287-L335 HydrophobicContact CD1-CD1 4.41Å; V288-L335 HydrophobicContact CG2-CB 4.26Å; V288-L335 HydrophobicContact CG2-CD1 4.29Å; V331-L335 HydrophobicContact CG1-CD1 3.98Å; V331-L335 HydrophobicContact CG1-CG 4.33Å; V331-L335 WeakPolarHBondContact O-CG 3.16Å; V331-L335 PolarHBondContact O-N 3.32Å; L332-L335 PolarHBondContact O-N 2.71Å |
| 336 | L | 83.2 | Confident | 78.2 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74.6 | -26.2 | -179.4 | -65.1 | 176.2 | 0 | 0 | 0 | 113.7 | V288 L332 E333 S338 W343 W344 I380 L383 L384 | V288-L336 HydrophobicContact CG1-CD2 4.32Å; V288-L336 HydrophobicContact CG2-CD2 4.37Å; L332-L336 HydrophobicContact CD1-CD1 3.87Å; L332-L336 HydrophobicContact CD1-CG 3.98Å; L332-L336 HydrophobicContact CG-CD1 3.84Å; L332-L336 HydrophobicContact CG-CG 4.34Å; L332-L336 WeakPolarHBondContact O-CB 3.11Å; L332-L336 VanDerWaalsContact O-CG 3.26Å; L332-L336 WeakPolarHBondContact O-CG 3.49Å; L332-L336 PolarHBondContact O-N 3.34Å; E333-L336 PolarHBondContact O-N 3.45Å; L336-S338 PolarHBondContact O-N 3Å; L336-W343 HydrophobicContact CD2-CH2 3.67Å; L336-W343 HydrophobicContact CD2-CZ2 4.09Å; L336-W344 HydrophobicContact CD2-CH2 4.16Å; L336-W344 HydrophobicContact CD2-CZ3 4.35Å; L336-I380 HydrophobicContact CD1-CG2 4.1Å; L336-L383 HydrophobicContact CB-CB 3.95Å; L336-L383 HydrophobicContact CB-CD1 4.34Å; L336-L383 HydrophobicContact CD1-CB 4Å; L336-L384 HydrophobicContact CD1-CD2 3.74Å; L336-L384 HydrophobicContact CD1-CG 3.93Å; L336-L384 HydrophobicContact CD2-CD2 3.88Å; L336-L384 HydrophobicContact CG-CD2 4.48Å |
| 337 | S | 81.4 | Confident | 77.5 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 48% | 0.483 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -9.5 | 178.1 | -61.6 | 0 | 0 | 0 | 0 | 113.9 | E333 | E333-S337 VanDerWaalsContact O-CB 3.3Å; E333-S337 WeakPolarHBondContact O-CB 3.4Å; E333-S337 PolarHBondContact O-N 3.08Å; E333-S337 PolarHBondContact O-OG 3.26Å |
| 338 | S | 75.2 | Confident | 77 | Confident | 48 Ų | 48 | 54 Ų | 54 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -74 | 129.2 | 177.2 | 161 | 0 | 0 | 0 | 0 | 110.1 | K284 L336 D340 | K284-S338 VanDerWaalsContact NZ-CB 3.28Å; K284-S338 PolarHBondContact NZ-OG 3.24Å; L336-S338 PolarHBondContact O-N 3Å; S338-D340 PolarHBondContact O-N 3.27Å |
| 339 | P | 62.2 | Low | 76.5 | Confident | 129 Ų | 129 | 59.1 Ų | 59.1 | 84% | 0.838 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -70.3 | -19.7 | -171.3 | 28.2 | -35.8 | 0 | 0 | 0 | 113.5 | R341 | P339-R341 PolarHBondContact O-N 2.94Š|
| 340 | D | 69.4 | Low | 76.2 | Confident | 94 Ų | 94 | 62.1 Ų | 62.1 | 50% | 0.503 | 33% | 0.33 | S | S | . | . | trans | -76.6 | 121.2 | 177.9 | -175.7 | 7.1 | 0 | 0 | 0 | 109.8 | S338 A342 W343 | S338-D340 PolarHBondContact O-N 3.27Å; D340-A342 WeakPolarHBondContact OD1-CB 3.25Å; D340-A342 PolarHBondContact OD1-N 3.41Å; D340-W343 PolarHBondContact O-NE1 2.87Å | ||
| 341 | R | 69.4 | Low | 75.7 | Confident | 145 Ų | 145 | 61.6 Ų | 61.6 | 55% | 0.547 | 33% | 0.334 | S | S | . | . | trans | -104.5 | 8.5 | 175.4 | -65.3 | -172.2 | -176.9 | -103.2 | 1.2 | 112.8 | P339 W343 W344 | P339-R341 PolarHBondContact O-N 2.94Å; R341-W343 PolarHBondContact O-N 3.44Å; R341-W344 HydrophobicContact CB-CE3 4.4Å; R341-W344 HydrophobicContact CG-CE3 4.26Å; R341-W344 VanDerWaalsContact NH1-CZ3 3.26Å; R341-W344 VanDerWaalsContact O-CB 3.25Å; R341-W344 WeakPolarHBondContact O-CB 3.3Å; R341-W344 PolarHBondContact O-N 2.92Å | ||
| 342 | A | 69.6 | Low | 75.3 | Confident | 81 Ų | 81 | 62.5 Ų | 62.5 | 67% | 0.669 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D340 W344 | D340-A342 WeakPolarHBondContact OD1-CB 3.25Å; D340-A342 PolarHBondContact OD1-N 3.41Å; A342-W344 VanDerWaalsContact C-N 3.32Å |
| 343 | W | 71.5 | Confident | 74.9 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 3% | 0.03 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -10.3 | 174 | 60.3 | -85.2 | 0 | 0 | 0 | 113.7 | S281 K284 S285 V288 L336 D340 R341 R345 L348 | S281-W343 WeakPolarHBondContact O-CB 3.36Å; K284-W343 HydrophobicContact CB-CB 4.44Å; K284-W343 HydrophobicContact CB-CG 4.48Å; K284-W343 HydrophobicContact CD-CB 4.28Å; K284-W343 HydrophobicContact CD-CD2 3.7Å; K284-W343 HydrophobicContact CD-CE3 4.34Å; K284-W343 HydrophobicContact CD-CG 3.61Å; K284-W343 VanDerWaalsContact CE-NE1 3.32Å; K284-W343 HydrophobicContact CG-CD2 3.86Å; K284-W343 HydrophobicContact CG-CE3 3.99Å; K284-W343 HydrophobicContact CG-CG 4.11Å; K284-W343 HydrophobicContact CG-CZ3 4.46Å; S285-W343 WeakPolarHBondContact CB-O 3.36Å; V288-W343 HydrophobicContact CB-CH2 4.49Å; V288-W343 HydrophobicContact CB-CZ3 4.07Å; V288-W343 HydrophobicContact CG1-CH2 4.35Å; V288-W343 HydrophobicContact CG1-CZ3 4.21Å; V288-W343 HydrophobicContact CG2-CH2 3.94Å; V288-W343 HydrophobicContact CG2-CZ3 3.79Å; L336-W343 HydrophobicContact CD2-CH2 3.67Å; L336-W343 HydrophobicContact CD2-CZ2 4.09Å; D340-W343 PolarHBondContact O-NE1 2.87Å; R341-W343 PolarHBondContact O-N 3.44Å; W343-R345 PolarHBondContact O-N 3.48Å; W343-L348 HydrophobicContact CE3-CD2 4.04Å; W343-L348 HydrophobicContact CH2-CD2 4.26Å; W343-L348 HydrophobicContact CZ3-CD2 3.39Å |
| 344 | W | 67.3 | Low | 74.7 | Confident | 48 Ų | 48 | 68.6 Ų | 68.6 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | trans | -71.6 | 126.2 | -178.1 | -136 | -82.1 | 0 | 0 | 0 | 110.4 | L336 R341 A342 L348 Q352 L384 | L336-W344 HydrophobicContact CD2-CH2 4.16Å; L336-W344 HydrophobicContact CD2-CZ3 4.35Å; R341-W344 HydrophobicContact CB-CE3 4.4Å; R341-W344 HydrophobicContact CG-CE3 4.26Å; R341-W344 VanDerWaalsContact NH1-CZ3 3.26Å; R341-W344 VanDerWaalsContact O-CB 3.25Å; R341-W344 WeakPolarHBondContact O-CB 3.3Å; R341-W344 PolarHBondContact O-N 2.92Å; A342-W344 VanDerWaalsContact C-N 3.32Å; W344-L348 HydrophobicContact CD2-CD2 4.5Å; W344-Q352 VanDerWaalsContact CZ2-OE1 3.32Å; W344-L384 HydrophobicContact CH2-CD2 4.47Å | ||
| 345 | R | 71.3 | Confident | 74.4 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 33% | 0.332 | 36% | 0.361 | S | S | . | . | trans | -121.5 | 149.2 | -176.4 | -68.5 | -88.9 | -91.6 | -98.6 | -1.8 | 109.2 | W343 E347 L348 E349 | W343-R345 PolarHBondContact O-N 3.48Å; R345-E347 PolarHBondContact O-N 2.92Å; R345-E347 VanDerWaalsContact O-N 3.16Å; R345-L348 WeakPolarHBondContact O-CA 3.32Å; R345-L348 VanDerWaalsContact O-CB 3.25Å; R345-L348 WeakPolarHBondContact O-CB 3.42Å; R345-L348 PolarHBondContact O-N 2.87Å; R345-E349 PolarHBondContact O-N 3.31Å | ||
| 346 | P | 65.4 | Low | 74.1 | Confident | 94 Ų | 94 | 64.3 Ų | 64.3 | 61% | 0.61 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57.8 | -34 | -179.7 | -23 | 32 | 0 | 0 | 0 | 113.2 | L348 E349 A350 | P346-L348 PolarHBondContact O-N 3.07Å; P346-E349 PolarHBondContact O-N 3.07Å; P346-E349 VanDerWaalsContact O-N 3.16Å; P346-A350 PolarHBondContact O-N 2.92Å |
| 347 | E | 67.5 | Low | 73.9 | Confident | 91 Ų | 91 | 69.6 Ų | 69.6 | 43% | 0.425 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.7 | -27.1 | 175.3 | -62.3 | 139 | -164 | 0 | 0 | 112.9 | R243 R345 | R243-E347 IonicContact CZ-OE2 3.51Å; R243-E347 IonicContact NH1-OE2 2.78Å; R243-E347 PolarHBondContact NH1-OE2 3.34Å; R243-E347 IonicContact NH2-OE2 3.73Å; R243-E347 PolarHBondContact NH2-OE2 3.42Å; R345-E347 PolarHBondContact O-N 2.92Å; R345-E347 VanDerWaalsContact O-N 3.16Å |
| 348 | L | 71.4 | Confident | 73.7 | Confident | 6 Ų | 6 | 69.8 Ų | 69.8 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -82.7 | -32.3 | 177.7 | -175.3 | 67.4 | 0 | 0 | 0 | 111.6 | V288 R289 W343 W344 R345 P346 A350 V351 Q352 | V288-L348 HydrophobicContact CG1-CD1 4.12Å; V288-L348 HydrophobicContact CG1-CD2 4.27Å; R289-L348 HydrophobicContact CB-CD1 3.72Å; R289-L348 HydrophobicContact CG-CD1 4.2Å; W343-L348 HydrophobicContact CE3-CD2 4.04Å; W343-L348 HydrophobicContact CH2-CD2 4.26Å; W343-L348 HydrophobicContact CZ3-CD2 3.39Å; W344-L348 HydrophobicContact CD2-CD2 4.5Å; R345-L348 WeakPolarHBondContact O-CA 3.32Å; R345-L348 VanDerWaalsContact O-CB 3.25Å; R345-L348 WeakPolarHBondContact O-CB 3.42Å; R345-L348 PolarHBondContact O-N 2.87Å; P346-L348 PolarHBondContact O-N 3.07Å; L348-A350 VanDerWaalsContact C-N 3.35Å; L348-A350 PolarHBondContact O-N 3.45Å; L348-V351 PolarHBondContact O-N 2.83Å; L348-Q352 WeakPolarHBondContact O-CB 3.49Å; L348-Q352 PolarHBondContact O-N 3.11Å |
| 349 | E | 76.8 | Confident | 73.7 | Confident | 106 Ų | 106 | 67.8 Ų | 67.8 | 50% | 0.495 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 178.9 | -64.6 | -175.2 | 160.9 | 0 | 0 | 112.1 | R345 P346 V351 Q352 T353 | R345-E349 PolarHBondContact O-N 3.31Å; P346-E349 PolarHBondContact O-N 3.07Å; P346-E349 VanDerWaalsContact O-N 3.16Å; E349-V351 VanDerWaalsContact C-N 3.35Å; E349-V351 PolarHBondContact O-N 2.95Å; E349-Q352 PolarHBondContact O-N 3.3Å; E349-T353 WeakPolarHBondContact O-CB 3.36Å; E349-T353 WeakPolarHBondContact O-CG2 3.44Å; E349-T353 PolarHBondContact O-N 3.22Å; E349-T353 PolarHBondContact O-OG1 3.32Å |
| 350 | A | 77.9 | Confident | 74.4 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 53% | 0.529 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P346 L348 T353 A354 | P346-A350 PolarHBondContact O-N 2.92Å; L348-A350 VanDerWaalsContact C-N 3.35Å; L348-A350 PolarHBondContact O-N 3.45Å; A350-T353 WeakPolarHBondContact CA-OG1 3.29Å; A350-T353 PolarHBondContact O-OG1 3.22Å; A350-A354 WeakPolarHBondContact O-CB 3.47Å; A350-A354 PolarHBondContact O-N 3.48Å |
| 351 | V | 75.5 | Confident | 74.7 | Confident | 48 Ų | 48 | 67.9 Ų | 67.9 | 29% | 0.291 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.5 | -39.3 | 177.3 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | R289 L348 E349 F355 | R289-V351 HydrophobicContact CG-CB 4.34Å; R289-V351 HydrophobicContact CG-CG1 4.11Å; R289-V351 HydrophobicContact CG-CG2 4.06Å; L348-V351 PolarHBondContact O-N 2.83Å; E349-V351 VanDerWaalsContact C-N 3.35Å; E349-V351 PolarHBondContact O-N 2.95Å; V351-F355 VanDerWaalsContact O-CB 3.26Å; V351-F355 WeakPolarHBondContact O-CB 3.41Å; V351-F355 PolarHBondContact O-N 2.96Å |
| 352 | Q | 79.8 | Confident | 75 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.8 | -49.8 | 177.2 | 177 | -172.5 | 7.5 | 0 | 0 | 111.9 | W344 L348 E349 A354 F355 L356 L384 | W344-Q352 VanDerWaalsContact CZ2-OE1 3.32Å; L348-Q352 WeakPolarHBondContact O-CB 3.49Å; L348-Q352 PolarHBondContact O-N 3.11Å; E349-Q352 PolarHBondContact O-N 3.3Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; Q352-A354 PolarHBondContact O-N 2.87Å; Q352-F355 CarbonylContact O-C 3.58Å; Q352-F355 WeakPolarHBondContact O-CB 3.18Å; Q352-F355 PolarHBondContact O-N 2.69Å; Q352-F355 VanDerWaalsContact O-N 3.13Å; Q352-L356 HydrophobicContact CG-CD1 3.99Å; Q352-L356 HydrophobicContact CG-CG 4.33Å; Q352-L356 WeakPolarHBondContact O-CB 3.28Å; Q352-L356 WeakPolarHBondContact O-CG 3.31Å; Q352-L356 PolarHBondContact O-N 3.05Å; Q352-L384 HydrophobicContact CG-CB 4.16Å; Q352-L384 HydrophobicContact CG-CD1 4.39Å; Q352-L384 HydrophobicContact CG-CD2 4.23Å; Q352-L384 HydrophobicContact CG-CG 4.5Å; Q352-L384 VanDerWaalsContact NE2-CB 3.33Å; Q352-L384 PolarHBondContact NE2-O 3.1Å |
| 353 | T | 79.2 | Confident | 75.4 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 53% | 0.534 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 179.9 | 46.6 | 0 | 0 | 0 | 0 | 111.5 | E349 A350 F355 L356 H357 | E349-T353 WeakPolarHBondContact O-CB 3.36Å; E349-T353 WeakPolarHBondContact O-CG2 3.44Å; E349-T353 PolarHBondContact O-N 3.22Å; E349-T353 PolarHBondContact O-OG1 3.32Å; A350-T353 WeakPolarHBondContact CA-OG1 3.29Å; A350-T353 PolarHBondContact O-OG1 3.22Å; T353-F355 VanDerWaalsContact C-N 3.32Å; T353-F355 PolarHBondContact O-N 2.91Å; T353-L356 PolarHBondContact O-N 3.5Å; T353-H357 WeakPolarHBondContact O-CB 3.37Å; T353-H357 PolarHBondContact O-N 3.34Å |
| 354 | A | 81.3 | Confident | 75.4 | Confident | 61 Ų | 61 | 64.8 Ų | 64.8 | 50% | 0.504 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | A350 Q352 R358 | A350-A354 WeakPolarHBondContact O-CB 3.47Å; A350-A354 PolarHBondContact O-N 3.48Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; Q352-A354 PolarHBondContact O-N 2.87Å; A354-R358 VanDerWaalsContact O-CB 3.27Å; A354-R358 WeakPolarHBondContact O-CB 3.26Å; A354-R358 PolarHBondContact O-N 2.93Å; A354-R358 VanDerWaalsContact O-N 3.16Å |
| 355 | F | 80.3 | Confident | 75.8 | Confident | 12 Ų | 12 | 66.2 Ų | 66.2 | 5% | 0.053 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 176.5 | 178.1 | -93.9 | 0 | 0 | 0 | 112.5 | L292 I295 V351 Q352 T353 R358 L359 M377 I380 L384 | L292-F355 HydrophobicContact CB-CD2 4.21Å; L292-F355 HydrophobicContact CB-CG 4.44Å; L292-F355 HydrophobicContact CD2-CD1 3.73Å; L292-F355 HydrophobicContact CD2-CD2 4.14Å; L292-F355 HydrophobicContact CD2-CE1 3.56Å; L292-F355 HydrophobicContact CD2-CE2 3.99Å; L292-F355 HydrophobicContact CD2-CG 4Å; L292-F355 HydrophobicContact CD2-CZ 3.68Å; L292-F355 WeakPolarHBondContact O-CD2 3.39Å; L292-F355 WeakPolarHBondContact O-CE2 3.27Å; I295-F355 HydrophobicContact CG2-CE2 4.24Å; I295-F355 HydrophobicContact CG2-CZ 4.35Å; V351-F355 VanDerWaalsContact O-CB 3.26Å; V351-F355 WeakPolarHBondContact O-CB 3.41Å; V351-F355 PolarHBondContact O-N 2.96Å; Q352-F355 CarbonylContact O-C 3.58Å; Q352-F355 WeakPolarHBondContact O-CB 3.18Å; Q352-F355 PolarHBondContact O-N 2.69Å; Q352-F355 VanDerWaalsContact O-N 3.13Å; T353-F355 VanDerWaalsContact C-N 3.32Å; T353-F355 PolarHBondContact O-N 2.91Å; F355-R358 CarbonylContact O-C 3.23Å; F355-R358 PolarHBondContact O-N 3.44Å; F355-L359 HydrophobicContact CD1-CD1 4.27Å; F355-L359 HydrophobicContact CE1-CD1 3.53Å; F355-L359 HydrophobicContact CZ-CD1 4.08Å; F355-L359 VanDerWaalsContact O-CB 3.26Å; F355-L359 WeakPolarHBondContact O-CB 3.43Å; F355-L359 PolarHBondContact O-N 3.31Å; F355-M377 HydrophobicContact CE1-CE 4.29Å; F355-M377 HydrophobicContact CE2-CE 3.78Å; F355-M377 HydrophobicContact CE2-SD 4.36Å; F355-M377 HydrophobicContact CZ-CE 3.42Å; F355-M377 VanDerWaalsContact CZ-CE 3.42Å; F355-M377 HydrophobicContact CZ-SD 3.71Å; F355-I380 HydrophobicContact CE1-CG2 4.46Å; F355-L384 HydrophobicContact CD1-CD1 3.78Å; F355-L384 HydrophobicContact CE1-CD1 3.89Å |
| 356 | L | 79.4 | Confident | 76 | Confident | 42 Ų | 42 | 62.1 Ų | 62.1 | 22% | 0.22 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64 | -46.9 | 179.7 | -73.9 | 175.2 | 0 | 0 | 0 | 111.8 | Q352 T353 R358 L359 E360 L384 | Q352-L356 HydrophobicContact CG-CD1 3.99Å; Q352-L356 HydrophobicContact CG-CG 4.33Å; Q352-L356 WeakPolarHBondContact O-CB 3.28Å; Q352-L356 WeakPolarHBondContact O-CG 3.31Å; Q352-L356 PolarHBondContact O-N 3.05Å; T353-L356 PolarHBondContact O-N 3.5Å; L356-R358 PolarHBondContact O-N 3.5Å; L356-L359 WeakPolarHBondContact O-CB 3.48Å; L356-L359 PolarHBondContact O-N 2.94Å; L356-L359 VanDerWaalsContact O-N 3.13Å; L356-E360 WeakPolarHBondContact O-CG 3.27Å; L356-E360 PolarHBondContact O-N 3.06Å; L356-L384 HydrophobicContact CD2-CB 4.27Å; L356-L384 HydrophobicContact CD2-CD1 4.17Å |
| 357 | H | 79.1 | Confident | 76.5 | Confident | 122 Ų | 122 | 63 Ų | 63 | 57% | 0.565 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -57.8 | -38.7 | 174.7 | -178.5 | -79.7 | 0 | 0 | 0 | 111.6 | T353 | T353-H357 WeakPolarHBondContact O-CB 3.37Å; T353-H357 PolarHBondContact O-N 3.34Å |
| 358 | R | 78.4 | Confident | 76.6 | Confident | 72 Ų | 72 | 65 Ų | 65 | 27% | 0.272 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -74.2 | -33.7 | 178.4 | -164.7 | 158.6 | 177.1 | -100.7 | -109.2 | 112.7 | G296 E300 A354 F355 L356 L361 L362 | G296-R358 VanDerWaalsContact C-NH2 3.3Å; G296-R358 PolarHBondContact O-NH2 2.88Å; E300-R358 VanDerWaalsContact CD-NH2 3.34Å; E300-R358 VanDerWaalsContact CG-CZ 3.47Å; E300-R358 VanDerWaalsContact CG-NH2 3.27Å; E300-R358 IonicContact OE1-CZ 3.01Å; E300-R358 IonicContact OE1-NE 3.23Å; E300-R358 PolarHBondContact OE1-NE 3.47Å; E300-R358 IonicContact OE1-NH1 3.31Å; E300-R358 PolarHBondContact OE1-NH1 2.91Å; E300-R358 IonicContact OE1-NH2 3.45Å; E300-R358 PolarHBondContact OE1-NH2 3.42Å; E300-R358 IonicContact OE2-CZ 2.64Å; E300-R358 IonicContact OE2-NH1 3.49Å; E300-R358 PolarHBondContact OE2-NH1 3.49Å; E300-R358 IonicContact OE2-NH2 3.32Å; A354-R358 VanDerWaalsContact O-CB 3.27Å; A354-R358 WeakPolarHBondContact O-CB 3.26Å; A354-R358 PolarHBondContact O-N 2.93Å; A354-R358 VanDerWaalsContact O-N 3.16Å; F355-R358 CarbonylContact O-C 3.23Å; F355-R358 PolarHBondContact O-N 3.44Å; L356-R358 PolarHBondContact O-N 3.5Å; R358-L361 PolarHBondContact O-N 2.93Å; R358-L362 HydrophobicContact CG-CD1 3.84Å; R358-L362 HydrophobicContact CG-CG 4.46Å; R358-L362 WeakPolarHBondContact O-CB 3.3Å; R358-L362 WeakPolarHBondContact O-CG 3.43Å; R358-L362 PolarHBondContact O-N 3.34Å |
| 359 | L | 74 | Confident | 76.7 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 175.2 | -176.5 | 156.4 | 0 | 0 | 0 | 110.8 | F355 L356 L361 L362 V363 M377 W378 | F355-L359 HydrophobicContact CD1-CD1 4.27Å; F355-L359 HydrophobicContact CE1-CD1 3.53Å; F355-L359 HydrophobicContact CZ-CD1 4.08Å; F355-L359 VanDerWaalsContact O-CB 3.26Å; F355-L359 WeakPolarHBondContact O-CB 3.43Å; F355-L359 PolarHBondContact O-N 3.31Å; L356-L359 WeakPolarHBondContact O-CB 3.48Å; L356-L359 PolarHBondContact O-N 2.94Å; L356-L359 VanDerWaalsContact O-N 3.13Å; L359-L361 PolarHBondContact O-N 3.46Å; L359-L362 PolarHBondContact O-N 3.16Å; L359-V363 HydrophobicContact CD2-CB 4.45Å; L359-V363 HydrophobicContact CD2-CG2 3.55Å; L359-V363 HydrophobicContact CG-CG2 3.66Å; L359-V363 VanDerWaalsContact O-CB 3.24Å; L359-V363 WeakPolarHBondContact O-CB 3.48Å; L359-V363 WeakPolarHBondContact O-CG2 3.48Å; L359-V363 PolarHBondContact O-N 3Å; L359-M377 HydrophobicContact CB-CE 4.4Å; L359-M377 HydrophobicContact CD1-CB 4.2Å; L359-M377 HydrophobicContact CD1-CE 3.92Å; L359-M377 WeakPolarHBondContact CD1-O 3.47Å; L359-M377 HydrophobicContact CG-CB 4.44Å; L359-M377 HydrophobicContact CG-CE 4.09Å; L359-W378 HydrophobicContact CD2-CE3 4.14Å |
| 360 | E | 76.9 | Confident | 76.6 | Confident | 121 Ų | 121 | 66.7 Ų | 66.7 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -56 | -40.1 | 175.6 | -74.3 | 178.1 | 176.9 | 0 | 0 | 112 | L356 F364 | L356-E360 WeakPolarHBondContact O-CG 3.27Å; L356-E360 PolarHBondContact O-N 3.06Å; E360-F364 WeakPolarHBondContact O-CD2 3.29Å |
| 361 | L | 77.4 | Confident | 76.5 | Confident | 105 Ų | 105 | 66.2 Ų | 66.2 | 55% | 0.55 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.5 | -45.9 | 178 | -65.8 | 170.1 | 0 | 0 | 0 | 112.4 | R358 L359 L365 | R358-L361 PolarHBondContact O-N 2.93Å; L359-L361 PolarHBondContact O-N 3.46Å; L361-L365 WeakPolarHBondContact O-CD1 3.45Å; L361-L365 WeakPolarHBondContact O-CG 3.33Å |
| 362 | L | 75.5 | Confident | 76.4 | Confident | 15 Ų | 15 | 65.8 Ų | 65.8 | 8% | 0.079 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -81.8 | -27.4 | -171.4 | -68.5 | 175.8 | 0 | 0 | 0 | 113.9 | A299 E300 W303 R358 L359 F364 L365 L366 | A299-L362 HydrophobicContact CB-CD1 3.81Å; E300-L362 HydrophobicContact CG-CD1 4.42Å; W303-L362 HydrophobicContact CB-CD2 4.12Å; W303-L362 HydrophobicContact CG-CD2 4.08Å; R358-L362 HydrophobicContact CG-CD1 3.84Å; R358-L362 HydrophobicContact CG-CG 4.46Å; R358-L362 WeakPolarHBondContact O-CB 3.3Å; R358-L362 WeakPolarHBondContact O-CG 3.43Å; R358-L362 PolarHBondContact O-N 3.34Å; L359-L362 PolarHBondContact O-N 3.16Å; L362-F364 PolarHBondContact O-N 3.45Å; L362-L365 PolarHBondContact O-N 2.86Å; L362-L366 HydrophobicContact CB-CD1 4.12Å; L362-L366 VanDerWaalsContact O-CB 3.27Å; L362-L366 WeakPolarHBondContact O-CB 3.19Å; L362-L366 VanDerWaalsContact O-CG 3.28Å; L362-L366 WeakPolarHBondContact O-CG 3.23Å; L362-L366 PolarHBondContact O-N 3.39Å |
| 363 | V | 76.8 | Confident | 76.4 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.5 | -41.2 | -176.3 | 162 | 0 | 0 | 0 | 0 | 111.9 | L359 W367 S374 M377 W378 | L359-V363 HydrophobicContact CD2-CB 4.45Å; L359-V363 HydrophobicContact CD2-CG2 3.55Å; L359-V363 HydrophobicContact CG-CG2 3.66Å; L359-V363 VanDerWaalsContact O-CB 3.24Å; L359-V363 WeakPolarHBondContact O-CB 3.48Å; L359-V363 WeakPolarHBondContact O-CG2 3.48Å; L359-V363 PolarHBondContact O-N 3Å; V363-W367 WeakPolarHBondContact O-CB 3.19Å; V363-W367 PolarHBondContact O-N 3Å; V363-W367 VanDerWaalsContact O-N 3.07Å; V363-S374 PolarHBondContact O-OG 3.3Å; V363-S374 VanDerWaalsContact O-OG 3.09Å; V363-M377 HydrophobicContact CG2-CB 4.01Å; V363-W378 HydrophobicContact CG1-CE3 3.97Å |
| 364 | F | 72.4 | Confident | 76.5 | Confident | 144 Ų | 144 | 60.8 Ų | 60.8 | 63% | 0.632 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -70.7 | -39.7 | 177.8 | -65.6 | -69.3 | 0 | 0 | 0 | 111.8 | E360 L362 W367 | E360-F364 WeakPolarHBondContact O-CD2 3.29Å; L362-F364 PolarHBondContact O-N 3.45Å; F364-W367 WeakPolarHBondContact O-CB 2.96Å; F364-W367 PolarHBondContact O-N 3.04Å |
| 365 | L | 76 | Confident | 76.3 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 41% | 0.408 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 179.8 | -67.9 | 176.5 | 0 | 0 | 0 | 112.7 | W303 L361 L362 | W303-L365 HydrophobicContact CD2-CB 4.27Å; W303-L365 HydrophobicContact CD2-CD1 4.34Å; W303-L365 HydrophobicContact CE3-CB 3.71Å; W303-L365 HydrophobicContact CH2-CB 3.99Å; W303-L365 HydrophobicContact CH2-CD1 4.14Å; W303-L365 HydrophobicContact CH2-CD2 3.73Å; W303-L365 HydrophobicContact CH2-CG 4.17Å; W303-L365 HydrophobicContact CZ2-CD1 3.91Å; W303-L365 HydrophobicContact CZ2-CD2 4.21Å; W303-L365 HydrophobicContact CZ2-CG 4.44Å; W303-L365 HydrophobicContact CZ3-CB 3.57Å; W303-L365 HydrophobicContact CZ3-CD1 4.45Å; W303-L365 HydrophobicContact CZ3-CD2 4.15Å; W303-L365 HydrophobicContact CZ3-CG 4.26Å; L361-L365 WeakPolarHBondContact O-CD1 3.45Å; L361-L365 WeakPolarHBondContact O-CG 3.33Å; L362-L365 PolarHBondContact O-N 2.86Å |
| 366 | L | 74.9 | Confident | 76.1 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -85.6 | -9.4 | 177.8 | -67.3 | 170.2 | 0 | 0 | 0 | 112.9 | A299 L302 W303 L362 D368 F370 F373 S374 | A299-L366 HydrophobicContact CB-CD1 4.08Å; L302-L366 HydrophobicContact CB-CD2 3.83Å; W303-L366 HydrophobicContact CB-CD2 3.99Å; L362-L366 HydrophobicContact CB-CD1 4.12Å; L362-L366 VanDerWaalsContact O-CB 3.27Å; L362-L366 WeakPolarHBondContact O-CB 3.19Å; L362-L366 VanDerWaalsContact O-CG 3.28Å; L362-L366 WeakPolarHBondContact O-CG 3.23Å; L362-L366 PolarHBondContact O-N 3.39Å; L366-D368 VanDerWaalsContact C-N 3.31Å; L366-D368 PolarHBondContact O-N 2.95Å; L366-F370 HydrophobicContact CD2-CD2 3.76Å; L366-F370 HydrophobicContact CD2-CE2 4.36Å; L366-F370 CarbonylContact O-C 3.56Å; L366-F370 VanDerWaalsContact O-C 3.23Å; L366-F370 VanDerWaalsContact O-CA 3.26Å; L366-F370 WeakPolarHBondContact O-CA 3.26Å; L366-F370 PolarHBondContact O-N 3.38Å; L366-F373 HydrophobicContact CD1-CD1 4.06Å; L366-F373 HydrophobicContact CD1-CE1 4Å; L366-S374 VanDerWaalsContact C-OG 3.3Å; L366-S374 WeakPolarHBondContact CB-OG 3.21Å; L366-S374 PolarHBondContact O-OG 3.03Å |
| 367 | W | 75.9 | Confident | 76.1 | Confident | 112 Ų | 112 | 57 Ų | 57 | 42% | 0.424 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | -174.6 | 179.9 | -91.1 | 0 | 0 | 0 | 112.6 | V363 F364 P371 S374 I375 | V363-W367 WeakPolarHBondContact O-CB 3.19Å; V363-W367 PolarHBondContact O-N 3Å; V363-W367 VanDerWaalsContact O-N 3.07Å; F364-W367 WeakPolarHBondContact O-CB 2.96Å; F364-W367 PolarHBondContact O-N 3.04Å; W367-P371 WeakPolarHBondContact O-CA 3.42Å; W367-P371 WeakPolarHBondContact O-CB 3.46Å; W367-P371 WeakPolarHBondContact O-CD 3.29Å; W367-S374 PolarHBondContact N-OG 3.23Å; W367-I375 HydrophobicContact CH2-CD1 4.07Å; W367-I375 HydrophobicContact CH2-CG1 3.78Å; W367-I375 HydrophobicContact CZ3-CD1 4.25Å; W367-I375 HydrophobicContact CZ3-CG1 3.53Å |
| 368 | D | 68.8 | Low | 76 | Confident | 135 Ų | 135 | 56.9 Ų | 56.9 | 72% | 0.722 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -39.9 | -174.8 | -66.6 | -26.2 | 0 | 0 | 0 | 111.8 | L366 | L366-D368 VanDerWaalsContact C-N 3.31Å; L366-D368 PolarHBondContact O-N 2.95Å |
| 369 | E | 73.6 | Confident | 76 | Confident | 122 Ų | 122 | 57.3 Ų | 57.3 | 57% | 0.57 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -32.7 | -177.6 | -63.6 | -61.8 | 150.8 | 0 | 0 | 113.5 | ||
| 370 | F | 76.3 | Confident | 76.3 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | trans | -133.8 | 61.1 | -174.4 | -55.9 | -72.8 | 0 | 0 | 0 | 112.8 | L302 F317 Y322 L366 L372 F373 S374 | L302-F370 HydrophobicContact CB-CD2 4.2Å; L302-F370 HydrophobicContact CB-CE2 4.06Å; L302-F370 HydrophobicContact CD2-CE1 4.2Å; L302-F370 HydrophobicContact CD2-CE2 4.32Å; L302-F370 HydrophobicContact CD2-CZ 4.08Å; F317-F370 HydrophobicContact CD2-CZ 4.41Å; F317-F370 HydrophobicContact CE1-CE1 4.3Å; F317-F370 AromaticContact CE2-CE1 3.56Å; F317-F370 HydrophobicContact CE2-CE1 3.56Å; F317-F370 AromaticContact CE2-CZ 3.41Å; F317-F370 HydrophobicContact CE2-CZ 3.41Å; F317-F370 VanDerWaalsContact CE2-CZ 3.41Å; F317-F370 HydrophobicContact CZ-CD1 4.29Å; F317-F370 AromaticContact CZ-CE1 3.31Å; F317-F370 HydrophobicContact CZ-CE1 3.31Å; F317-F370 AromaticContact CZ-CZ 3.73Å; F317-F370 HydrophobicContact CZ-CZ 3.73Å; Y322-F370 HydrophobicContact CD2-CD1 4.22Å; Y322-F370 HydrophobicContact CE2-CB 4.2Å; Y322-F370 AromaticContact CE2-CD1 3.7Å; Y322-F370 HydrophobicContact CE2-CD1 3.7Å; Y322-F370 HydrophobicContact CE2-CG 4.25Å; L366-F370 HydrophobicContact CD2-CD2 3.76Å; L366-F370 HydrophobicContact CD2-CE2 4.36Å; L366-F370 CarbonylContact O-C 3.56Å; L366-F370 VanDerWaalsContact O-C 3.23Å; L366-F370 VanDerWaalsContact O-CA 3.26Å; L366-F370 WeakPolarHBondContact O-CA 3.26Å; L366-F370 PolarHBondContact O-N 3.38Å; F370-L372 VanDerWaalsContact C-N 3.3Å; F370-L372 PolarHBondContact O-N 3.49Å; F370-F373 HydrophobicContact CB-CB 4.2Å; F370-F373 PolarHBondContact O-N 3.48Å; F370-S374 PolarHBondContact O-N 3.26Å; F370-S374 VanDerWaalsContact O-N 3.09Å; F370-S374 PolarHBondContact O-OG 2.77Å | ||
| 371 | P | 74.4 | Confident | 76.3 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 34% | 0.344 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.6 | -36.1 | -172.9 | 22 | -33.5 | 0 | 0 | 0 | 113.4 | W367 S374 I375 | W367-P371 WeakPolarHBondContact O-CA 3.42Å; W367-P371 WeakPolarHBondContact O-CB 3.46Å; W367-P371 WeakPolarHBondContact O-CD 3.29Å; P371-S374 PolarHBondContact O-N 2.9Å; P371-I375 WeakPolarHBondContact O-CB 3.21Å; P371-I375 WeakPolarHBondContact O-CD1 3.49Å; P371-I375 WeakPolarHBondContact O-CG1 3.41Å; P371-I375 PolarHBondContact O-N 3.5Å |
| 372 | L | 74.3 | Confident | 76.2 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.2 | -42.7 | -179.9 | -67.3 | 173.7 | 0 | 0 | 0 | 112.2 | W128 F370 I375 L376 | W128-L372 HydrophobicContact CD2-CD2 4.34Å; W128-L372 HydrophobicContact CZ2-CD1 4.28Å; W128-L372 HydrophobicContact CZ2-CD2 4.33Å; F370-L372 VanDerWaalsContact C-N 3.3Å; F370-L372 PolarHBondContact O-N 3.49Å; L372-I375 PolarHBondContact O-N 2.97Å; L372-L376 WeakPolarHBondContact O-CG 3.36Å; L372-L376 PolarHBondContact O-N 3.27Å; L372-L376 VanDerWaalsContact O-N 3.08Å |
| 373 | F | 79.6 | Confident | 76.2 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 177 | -177.6 | -95.8 | 0 | 0 | 0 | 110.7 | I295 L298 A299 L302 Y322 L329 L366 F370 I375 L376 M377 | I295-F373 HydrophobicContact CG2-CE2 4.21Å; I295-F373 HydrophobicContact CG2-CZ 3.86Å; L298-F373 HydrophobicContact CD2-CD2 4.09Å; L298-F373 HydrophobicContact CD2-CE2 3.36Å; L298-F373 HydrophobicContact CD2-CZ 3.67Å; A299-F373 HydrophobicContact CB-CE1 3.66Å; A299-F373 HydrophobicContact CB-CZ 3.92Å; L302-F373 HydrophobicContact CD1-CD1 3.94Å; L302-F373 HydrophobicContact CD1-CD2 4.22Å; L302-F373 HydrophobicContact CD1-CE1 4.07Å; L302-F373 HydrophobicContact CD1-CE2 4.36Å; L302-F373 HydrophobicContact CD1-CG 4.01Å; L302-F373 HydrophobicContact CD1-CZ 4.28Å; Y322-F373 HydrophobicContact CE2-CB 3.68Å; Y322-F373 HydrophobicContact CE2-CD2 4.48Å; Y322-F373 HydrophobicContact CE2-CG 4.33Å; L329-F373 HydrophobicContact CD1-CD2 3.94Å; L329-F373 HydrophobicContact CD1-CE2 4.02Å; L366-F373 HydrophobicContact CD1-CD1 4.06Å; L366-F373 HydrophobicContact CD1-CE1 4Å; F370-F373 HydrophobicContact CB-CB 4.2Å; F370-F373 PolarHBondContact O-N 3.48Å; F373-I375 VanDerWaalsContact C-N 3.32Å; F373-I375 PolarHBondContact O-N 3.24Å; F373-L376 PolarHBondContact O-N 2.93Å; F373-M377 HydrophobicContact CD1-CG 3.91Å; F373-M377 HydrophobicContact CE1-CE 4.49Å; F373-M377 HydrophobicContact CE1-CG 3.61Å; F373-M377 HydrophobicContact CE1-SD 4.26Å; F373-M377 HydrophobicContact CE2-CG 4.39Å; F373-M377 HydrophobicContact CG-CG 4.43Å; F373-M377 HydrophobicContact CZ-CG 3.88Å; F373-M377 HydrophobicContact CZ-SD 4.07Å; F373-M377 VanDerWaalsContact O-CB 3.29Å; F373-M377 WeakPolarHBondContact O-CB 3.29Å; F373-M377 WeakPolarHBondContact O-CG 3.05Å; F373-M377 PolarHBondContact O-N 3.46Å |
| 374 | S | 81.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.8 | -39.7 | 175.2 | -69.2 | 0 | 0 | 0 | 0 | 113 | V363 L366 W367 F370 P371 W378 | V363-S374 PolarHBondContact O-OG 3.3Å; V363-S374 VanDerWaalsContact O-OG 3.09Å; L366-S374 VanDerWaalsContact C-OG 3.3Å; L366-S374 WeakPolarHBondContact CB-OG 3.21Å; L366-S374 PolarHBondContact O-OG 3.03Å; W367-S374 PolarHBondContact N-OG 3.23Å; F370-S374 PolarHBondContact O-N 3.26Å; F370-S374 VanDerWaalsContact O-N 3.09Å; F370-S374 PolarHBondContact O-OG 2.77Å; P371-S374 PolarHBondContact O-N 2.9Å; S374-W378 VanDerWaalsContact O-CB 3.29Å; S374-W378 WeakPolarHBondContact O-CB 3.41Å; S374-W378 PolarHBondContact O-N 3.45Å |
| 375 | I | 77.8 | Confident | 76.3 | Confident | 19 Ų | 19 | 53.1 Ų | 53.1 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -49.7 | 175.1 | -76.4 | 162.4 | 0 | 0 | 0 | 111.9 | W121 L125 W367 P371 L372 F373 W378 R379 | W121-I375 HydrophobicContact CH2-CD1 3.61Å; W121-I375 HydrophobicContact CH2-CG1 4.15Å; W121-I375 HydrophobicContact CH2-CG2 4.37Å; W121-I375 HydrophobicContact CZ2-CB 4.35Å; W121-I375 HydrophobicContact CZ2-CD1 3.83Å; W121-I375 HydrophobicContact CZ2-CG1 3.95Å; W121-I375 HydrophobicContact CZ2-CG2 3.47Å; W121-I375 VanDerWaalsContact CZ2-CG2 3.47Å; L125-I375 HydrophobicContact CD2-CG2 4.47Å; W367-I375 HydrophobicContact CH2-CD1 4.07Å; W367-I375 HydrophobicContact CH2-CG1 3.78Å; W367-I375 HydrophobicContact CZ3-CD1 4.25Å; W367-I375 HydrophobicContact CZ3-CG1 3.53Å; P371-I375 WeakPolarHBondContact O-CB 3.21Å; P371-I375 WeakPolarHBondContact O-CD1 3.49Å; P371-I375 WeakPolarHBondContact O-CG1 3.41Å; P371-I375 PolarHBondContact O-N 3.5Å; L372-I375 PolarHBondContact O-N 2.97Å; F373-I375 VanDerWaalsContact C-N 3.32Å; F373-I375 PolarHBondContact O-N 3.24Å; I375-W378 PolarHBondContact O-N 2.92Å; I375-R379 PolarHBondContact O-N 3.03Å |
| 376 | L | 76.6 | Confident | 76.3 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.2 | -41.9 | -177.6 | -71.6 | 173.1 | 0 | 0 | 0 | 110.9 | C326 L329 L372 F373 R379 I380 | C326-L376 HydrophobicContact CB-CD1 4.35Å; L329-L376 HydrophobicContact CB-CB 4.33Å; L329-L376 HydrophobicContact CB-CD1 4.38Å; L329-L376 HydrophobicContact CD1-CB 3.79Å; L329-L376 HydrophobicContact CD1-CD1 3.81Å; L329-L376 HydrophobicContact CD1-CG 4.47Å; L329-L376 HydrophobicContact CD2-CB 4.39Å; L329-L376 HydrophobicContact CG-CB 4.41Å; L372-L376 WeakPolarHBondContact O-CG 3.36Å; L372-L376 PolarHBondContact O-N 3.27Å; L372-L376 VanDerWaalsContact O-N 3.08Å; F373-L376 PolarHBondContact O-N 2.93Å; L376-R379 PolarHBondContact O-N 3.35Å; L376-I380 PolarHBondContact O-N 2.98Å |
| 377 | M | 77.6 | Confident | 76.4 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.9 | -55.1 | 171.6 | -77 | -69.9 | -79.1 | 0 | 0 | 110.9 | I295 L329 F355 L359 V363 F373 R379 I380 G381 | I295-M377 HydrophobicContact CG2-CE 4.01Å; I295-M377 HydrophobicContact CG2-SD 3.18Å; I295-M377 WeakPolarHBondContact CG2-SD 3.17Å; L329-M377 HydrophobicContact CD2-CG 4.46Å; L329-M377 HydrophobicContact CD2-SD 4.05Å; F355-M377 HydrophobicContact CE1-CE 4.29Å; F355-M377 HydrophobicContact CE2-CE 3.78Å; F355-M377 HydrophobicContact CE2-SD 4.36Å; F355-M377 HydrophobicContact CZ-CE 3.42Å; F355-M377 VanDerWaalsContact CZ-CE 3.42Å; F355-M377 HydrophobicContact CZ-SD 3.71Å; L359-M377 HydrophobicContact CB-CE 4.4Å; L359-M377 HydrophobicContact CD1-CB 4.2Å; L359-M377 HydrophobicContact CD1-CE 3.92Å; L359-M377 WeakPolarHBondContact CD1-O 3.47Å; L359-M377 HydrophobicContact CG-CB 4.44Å; L359-M377 HydrophobicContact CG-CE 4.09Å; V363-M377 HydrophobicContact CG2-CB 4.01Å; F373-M377 HydrophobicContact CD1-CG 3.91Å; F373-M377 HydrophobicContact CE1-CE 4.49Å; F373-M377 HydrophobicContact CE1-CG 3.61Å; F373-M377 HydrophobicContact CE1-SD 4.26Å; F373-M377 HydrophobicContact CE2-CG 4.39Å; F373-M377 HydrophobicContact CG-CG 4.43Å; F373-M377 HydrophobicContact CZ-CG 3.88Å; F373-M377 HydrophobicContact CZ-SD 4.07Å; F373-M377 VanDerWaalsContact O-CB 3.29Å; F373-M377 WeakPolarHBondContact O-CB 3.29Å; F373-M377 WeakPolarHBondContact O-CG 3.05Å; F373-M377 PolarHBondContact O-N 3.46Å; M377-R379 VanDerWaalsContact C-N 3.26Å; M377-R379 PolarHBondContact O-N 2.78Å; M377-I380 PolarHBondContact O-N 3.39Å; M377-I380 VanDerWaalsContact O-N 3.09Å; M377-G381 PolarHBondContact O-N 3.17Å |
| 378 | W | 77.3 | Confident | 76.4 | Confident | 119 Ų | 119 | 51.1 Ų | 51.1 | 45% | 0.451 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.9 | -38.4 | 179.5 | -173.7 | -98.4 | 0 | 0 | 0 | 113.1 | L359 V363 S374 I375 G381 K382 | L359-W378 HydrophobicContact CD2-CE3 4.14Å; V363-W378 HydrophobicContact CG1-CE3 3.97Å; S374-W378 VanDerWaalsContact O-CB 3.29Å; S374-W378 WeakPolarHBondContact O-CB 3.41Å; S374-W378 PolarHBondContact O-N 3.45Å; I375-W378 PolarHBondContact O-N 2.92Å; W378-G381 PolarHBondContact O-N 3.47Å; W378-K382 PolarHBondContact O-N 3.34Å |
| 379 | R | 78.3 | Confident | 76.9 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 30% | 0.302 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 176.4 | -173.9 | -177 | -177.3 | 175.7 | 4.4 | 111.9 | E333 I375 L376 M377 G381 K382 L383 | E333-R379 IonicContact OE1-CZ 3.34Å; E333-R379 IonicContact OE1-NE 3.61Å; E333-R379 PolarHBondContact OE1-NE 2.82Å; E333-R379 IonicContact OE1-NH1 3.47Å; E333-R379 PolarHBondContact OE1-NH1 2.83Å; E333-R379 IonicContact OE1-NH2 2.78Å; E333-R379 PolarHBondContact OE1-NH2 3.34Å; E333-R379 IonicContact OE2-CZ 4Å; E333-R379 VanDerWaalsContact OE2-CZ 3.22Å; E333-R379 IonicContact OE2-NE 3.81Å; E333-R379 PolarHBondContact OE2-NE 3Å; E333-R379 IonicContact OE2-NH1 3.83Å; E333-R379 PolarHBondContact OE2-NH1 2.89Å; E333-R379 IonicContact OE2-NH2 3.05Å; I375-R379 PolarHBondContact O-N 3.03Å; L376-R379 PolarHBondContact O-N 3.35Å; M377-R379 VanDerWaalsContact C-N 3.26Å; M377-R379 PolarHBondContact O-N 2.78Å; R379-G381 VanDerWaalsContact C-N 3.3Å; R379-K382 WeakPolarHBondContact O-CB 3.44Å; R379-K382 PolarHBondContact O-N 3.24Å; R379-K382 VanDerWaalsContact O-N 3.17Å; R379-L383 PolarHBondContact O-N 3.36Å |
| 380 | I | 80.1 | Confident | 77.1 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.4 | -39.7 | 175.7 | -77.9 | 155.8 | 0 | 0 | 0 | 110.9 | L292 L329 L332 L336 F355 L376 M377 K382 L383 L384 | L292-I380 HydrophobicContact CD2-CG2 4.39Å; L329-I380 HydrophobicContact CB-CD1 3.87Å; L329-I380 HydrophobicContact CD2-CD1 3.23Å; L329-I380 HydrophobicContact CG-CD1 4.15Å; L332-I380 HydrophobicContact CB-CD1 4.38Å; L332-I380 HydrophobicContact CD2-CD1 3.89Å; L332-I380 HydrophobicContact CD2-CG1 4.24Å; L332-I380 HydrophobicContact CD2-CG2 3.57Å; L332-I380 HydrophobicContact CG-CD1 4.3Å; L332-I380 HydrophobicContact CG-CG1 4.39Å; L332-I380 HydrophobicContact CG-CG2 4.2Å; L336-I380 HydrophobicContact CD1-CG2 4.1Å; F355-I380 HydrophobicContact CE1-CG2 4.46Å; L376-I380 PolarHBondContact O-N 2.98Å; M377-I380 PolarHBondContact O-N 3.39Å; M377-I380 VanDerWaalsContact O-N 3.09Å; I380-K382 PolarHBondContact O-N 3.06Å; I380-K382 VanDerWaalsContact O-N 3.12Å; I380-L383 PolarHBondContact O-N 2.91Å; I380-L384 HydrophobicContact CG2-CD1 3.85Å; I380-L384 HydrophobicContact CG2-CG 4.12Å; I380-L384 WeakPolarHBondContact O-CG 3.38Å; I380-L384 PolarHBondContact O-N 3.06Å |
| 381 | G | 77.6 | Confident | 77.2 | Confident | 17 Ų | 17 | 41.9 Ų | 41.9 | 18% | 0.175 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.5 | -23.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | M377 W378 R379 | M377-G381 PolarHBondContact O-N 3.17Å; W378-G381 PolarHBondContact O-N 3.47Å; R379-G381 VanDerWaalsContact C-N 3.3Å |
| 382 | K | 76 | Confident | 77.4 | Confident | 154 Ų | 154 | 41.1 Ų | 41.1 | 67% | 0.67 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -84.1 | -22.2 | 172.9 | -68.2 | -174 | 175.1 | -172.7 | 0 | 114.6 | W378 R379 I380 | W378-K382 PolarHBondContact O-N 3.34Å; R379-K382 WeakPolarHBondContact O-CB 3.44Å; R379-K382 PolarHBondContact O-N 3.24Å; R379-K382 VanDerWaalsContact O-N 3.17Å; I380-K382 PolarHBondContact O-N 3.06Å; I380-K382 VanDerWaalsContact O-N 3.12Å |
| 383 | L | 74.8 | Confident | 77.6 | Confident | 50 Ų | 50 | 41.3 Ų | 41.3 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -89.4 | -31 | -177.8 | -66.4 | 176.3 | 0 | 0 | 0 | 111.8 | E333 L336 R379 I380 | E333-L383 HydrophobicContact CG-CD1 3.65Å; L336-L383 HydrophobicContact CB-CB 3.95Å; L336-L383 HydrophobicContact CB-CD1 4.34Å; L336-L383 HydrophobicContact CD1-CB 4Å; R379-L383 PolarHBondContact O-N 3.36Å; I380-L383 PolarHBondContact O-N 2.91Å |
| 384 | L | 75.1 | Confident | 77.5 | Confident | 35 Ų | 35 | 44.9 Ų | 44.9 | 18% | 0.183 | 20% | 0.204 | C | C | . | . | trans | -63.3 | 0 | 164.6 | -70.3 | 178 | 0 | 0 | 0 | 109 | L292 L336 W344 Q352 F355 L356 I380 | L292-L384 HydrophobicContact CD1-CD1 4.37Å; L292-L384 HydrophobicContact CD1-CD2 4.14Å; L292-L384 HydrophobicContact CD2-CD1 3.84Å; L336-L384 HydrophobicContact CD1-CD2 3.74Å; L336-L384 HydrophobicContact CD1-CG 3.93Å; L336-L384 HydrophobicContact CD2-CD2 3.88Å; L336-L384 HydrophobicContact CG-CD2 4.48Å; W344-L384 HydrophobicContact CH2-CD2 4.47Å; Q352-L384 HydrophobicContact CG-CB 4.16Å; Q352-L384 HydrophobicContact CG-CD1 4.39Å; Q352-L384 HydrophobicContact CG-CD2 4.23Å; Q352-L384 HydrophobicContact CG-CG 4.5Å; Q352-L384 VanDerWaalsContact NE2-CB 3.33Å; Q352-L384 PolarHBondContact NE2-O 3.1Å; F355-L384 HydrophobicContact CD1-CD1 3.78Å; F355-L384 HydrophobicContact CE1-CD1 3.89Å; L356-L384 HydrophobicContact CD2-CB 4.27Å; L356-L384 HydrophobicContact CD2-CD1 4.17Å; I380-L384 HydrophobicContact CG2-CD1 3.85Å; I380-L384 HydrophobicContact CG2-CG 4.12Å; I380-L384 WeakPolarHBondContact O-CG 3.38Å; I380-L384 PolarHBondContact O-N 3.06Å |
Retrieved 384 of 384 residues in 526.5 ms
(Link to these results)