| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 58.1 | Low | 73 | Confident | 165 Ų | 165 | 80.5 Ų | 80.5 | 81% | 0.813 | 43% | 0.428 | S | S | * | . | 0 | -57.9 | 0 | -70.7 | -61.5 | -94.7 | 0 | 0 | 113.9 | A3 F4 G5 | M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 2.63Å; M1-F4 WeakPolarHBondContact O-CB 3.41Å; M1-F4 PolarHBondContact O-N 3.08Å; M1-F4 VanDerWaalsContact O-N 3.08Å; M1-G5 PolarHBondContact O-N 3.11Å | |||
| 2 | K | 68.4 | Low | 73.2 | Confident | 198 Ų | 198 | 81.2 Ų | 81.2 | 86% | 0.861 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -53 | -45.1 | 177.5 | -76.1 | -175 | 178.5 | 178.9 | 0 | 113.1 | F4 G5 A6 | K2-F4 PolarHBondContact O-N 3.46Å; K2-G5 PolarHBondContact O-N 3.29Å; K2-A6 PolarHBondContact O-N 3.1Å |
| 3 | A | 69.2 | Low | 73.9 | Confident | 55 Ų | 55 | 80.5 Ų | 80.5 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | M1 A6 K7 V33 | M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 2.63Å; A3-A6 PolarHBondContact O-N 2.92Å; A3-K7 PolarHBondContact O-N 3.31Å; A3-K7 VanDerWaalsContact O-N 3.08Å; A3-V33 HydrophobicContact CB-CG1 4.22Å |
| 4 | F | 70.6 | Confident | 74.5 | Confident | 23 Ų | 23 | 75.3 Ų | 75.3 | 10% | 0.101 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 176 | -177.3 | -89.4 | 0 | 0 | 0 | 111.7 | M1 K2 A6 K7 A8 L30 R50 W53 | M1-F4 WeakPolarHBondContact O-CB 3.41Å; M1-F4 PolarHBondContact O-N 3.08Å; M1-F4 VanDerWaalsContact O-N 3.08Å; K2-F4 PolarHBondContact O-N 3.46Å; F4-A6 PolarHBondContact O-N 3.13Å; F4-K7 PolarHBondContact O-N 3.08Å; F4-A8 WeakPolarHBondContact O-CB 3.32Å; F4-A8 PolarHBondContact O-N 3.34Å; F4-L30 HydrophobicContact CD2-CD2 3.7Å; F4-L30 HydrophobicContact CE2-CD2 3.87Å; F4-L30 HydrophobicContact CG-CD2 4.26Å; F4-R50 HydrophobicContact CE1-CG 4.44Å; F4-R50 HydrophobicContact CZ-CG 4.38Å; F4-W53 HydrophobicContact CE1-CE3 4.26Å; F4-W53 HydrophobicContact CE1-CZ3 4.4Å; F4-W53 AromaticContact CZ-CE3 3.82Å; F4-W53 HydrophobicContact CZ-CE3 3.82Å; F4-W53 AromaticContact CZ-CZ3 3.91Å; F4-W53 HydrophobicContact CZ-CZ3 3.91Å |
| 5 | G | 68.3 | Low | 74.4 | Confident | 36 Ų | 36 | 71.4 Ų | 71.4 | 37% | 0.371 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 K2 K9 | M1-G5 PolarHBondContact O-N 3.11Å; K2-G5 PolarHBondContact O-N 3.29Å; G5-K9 PolarHBondContact O-N 3.05Å; G5-K9 VanDerWaalsContact O-N 3.15Å |
| 6 | A | 76 | Confident | 74.5 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.7 | -48.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | K2 A3 F4 A8 K9 H10 | K2-A6 PolarHBondContact O-N 3.1Å; A3-A6 PolarHBondContact O-N 2.92Å; F4-A6 PolarHBondContact O-N 3.13Å; A6-A8 VanDerWaalsContact C-N 3.34Å; A6-A8 PolarHBondContact O-N 2.94Å; A6-K9 PolarHBondContact O-N 2.84Å; A6-H10 PolarHBondContact O-N 3.49Å; A6-H10 VanDerWaalsContact O-N 3.11Å |
| 7 | K | 76.8 | Confident | 74.9 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 25% | 0.248 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.4 | -37 | 176 | -70.9 | -168.5 | -178.4 | -162.5 | 0 | 112.1 | A3 F4 K9 H10 F11 L26 E29 L30 | A3-K7 PolarHBondContact O-N 3.31Å; A3-K7 VanDerWaalsContact O-N 3.08Å; F4-K7 PolarHBondContact O-N 3.08Å; K7-K9 PolarHBondContact O-N 3.3Å; K7-H10 PolarHBondContact O-N 3.06Å; K7-F11 WeakPolarHBondContact O-CB 3.45Å; K7-F11 PolarHBondContact O-N 2.85Å; K7-L26 HydrophobicContact CB-CD1 4.13Å; K7-L26 HydrophobicContact CD-CD1 4.08Å; K7-L26 HydrophobicContact CG-CD1 4.08Å; K7-L26 WeakPolarHBondContact O-CD2 3.47Å; K7-E29 IonicContact NZ-OE2 2.86Å; K7-E29 PolarHBondContact NZ-OE2 3.39Å; K7-L30 HydrophobicContact CB-CD2 3.46Å; K7-L30 VanDerWaalsContact CB-CD2 3.46Å; K7-L30 HydrophobicContact CB-CG 3.94Å |
| 8 | A | 74.4 | Confident | 74.9 | Confident | 11 Ų | 11 | 73.4 Ų | 73.4 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F4 A6 F11 V12 W53 | F4-A8 WeakPolarHBondContact O-CB 3.32Å; F4-A8 PolarHBondContact O-N 3.34Å; A6-A8 VanDerWaalsContact C-N 3.34Å; A6-A8 PolarHBondContact O-N 2.94Å; A8-F11 PolarHBondContact O-N 3.2Å; A8-V12 WeakPolarHBondContact O-CG2 3.34Å; A8-V12 PolarHBondContact O-N 3.1Å; A8-W53 HydrophobicContact CB-CH2 3.38Å; A8-W53 HydrophobicContact CB-CZ2 3.59Å; A8-W53 HydrophobicContact CB-CZ3 4.13Å |
| 9 | K | 77.8 | Confident | 75.3 | Confident | 168 Ų | 168 | 76.4 Ų | 76.4 | 73% | 0.73 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.2 | -44.6 | 172.4 | -84.9 | -174.2 | 175.1 | -176.4 | 0 | 112 | G5 A6 K7 F11 V12 D13 | G5-K9 PolarHBondContact O-N 3.05Å; G5-K9 VanDerWaalsContact O-N 3.15Å; A6-K9 PolarHBondContact O-N 2.84Å; K7-K9 PolarHBondContact O-N 3.3Å; K9-F11 VanDerWaalsContact C-N 3.27Å; K9-F11 PolarHBondContact O-N 2.86Å; K9-V12 PolarHBondContact O-N 2.78Å; K9-D13 PolarHBondContact O-N 2.97Å; K9-D13 VanDerWaalsContact O-N 3.12Å |
| 10 | H | 82.6 | Confident | 75.5 | Confident | 103 Ų | 103 | 72.9 Ų | 72.9 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61 | -39 | 178.1 | -167.8 | 121.6 | 0 | 0 | 0 | 111.3 | A6 K7 D13 L14 L26 | A6-H10 PolarHBondContact O-N 3.49Å; A6-H10 VanDerWaalsContact O-N 3.11Å; K7-H10 PolarHBondContact O-N 3.06Å; H10-D13 WeakPolarHBondContact O-CB 3.41Å; H10-D13 PolarHBondContact O-N 3.27Å; H10-L14 VanDerWaalsContact CD2-CD1 3.45Å; H10-L14 WeakPolarHBondContact CD2-CD1 3.33Å; H10-L14 WeakPolarHBondContact O-CG 3.48Å; H10-L14 PolarHBondContact O-N 2.98Å; H10-L26 HydrophobicContact CB-CD2 3.85Å |
| 11 | F | 80.6 | Confident | 75.7 | Confident | 3 Ų | 3 | 72 Ų | 72 | 1% | 0.013 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 175.6 | 171.2 | -101.3 | 0 | 0 | 0 | 113.1 | K7 A8 K9 D13 L14 I15 A23 L26 I27 L30 W53 A57 | K7-F11 WeakPolarHBondContact O-CB 3.45Å; K7-F11 PolarHBondContact O-N 2.85Å; A8-F11 PolarHBondContact O-N 3.2Å; K9-F11 VanDerWaalsContact C-N 3.27Å; K9-F11 PolarHBondContact O-N 2.86Å; F11-D13 VanDerWaalsContact C-N 3.27Å; F11-D13 PolarHBondContact O-N 2.86Å; F11-L14 PolarHBondContact O-N 3.1Å; F11-I15 HydrophobicContact CD1-CD1 4.39Å; F11-I15 HydrophobicContact CE1-CD1 3.45Å; F11-I15 VanDerWaalsContact CE1-CD1 3.45Å; F11-I15 HydrophobicContact CE1-CG1 4.18Å; F11-I15 HydrophobicContact CE2-CD1 3.75Å; F11-I15 HydrophobicContact CE2-CG1 3.91Å; F11-I15 HydrophobicContact CZ-CD1 3.12Å; F11-I15 HydrophobicContact CZ-CG1 3.8Å; F11-I15 PolarHBondContact O-N 3.42Å; F11-A23 HydrophobicContact CD2-CB 3.95Å; F11-A23 WeakPolarHBondContact CD2-O 3.36Å; F11-A23 HydrophobicContact CE2-CB 3.78Å; F11-L26 HydrophobicContact CB-CD2 3.77Å; F11-L26 HydrophobicContact CB-CG 4.48Å; F11-L26 VanDerWaalsContact N-CD2 3.33Å; F11-I27 HydrophobicContact CD2-CD1 4Å; F11-I27 HydrophobicContact CD2-CG1 3.52Å; F11-I27 HydrophobicContact CE2-CD1 3.1Å; F11-I27 HydrophobicContact CE2-CG1 3.14Å; F11-I27 HydrophobicContact CG-CG1 4.39Å; F11-I27 HydrophobicContact CZ-CD1 3.51Å; F11-I27 HydrophobicContact CZ-CG1 3.72Å; F11-L30 HydrophobicContact CB-CD1 4.13Å; F11-L30 HydrophobicContact CG-CD1 4.5Å; F11-W53 HydrophobicContact CD1-CH2 4.17Å; F11-A57 HydrophobicContact CD1-CB 4.18Å; F11-A57 HydrophobicContact CE1-CB 3.33Å; F11-A57 HydrophobicContact CZ-CB 3.91Å |
| 12 | V | 75.8 | Confident | 76.8 | Confident | 89 Ų | 89 | 67 Ų | 67 | 54% | 0.539 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 176.8 | 174.6 | 0 | 0 | 0 | 0 | 111 | A8 K9 G16 | A8-V12 WeakPolarHBondContact O-CG2 3.34Å; A8-V12 PolarHBondContact O-N 3.1Å; K9-V12 PolarHBondContact O-N 2.78Å; V12-G16 PolarHBondContact O-N 2.67Å |
| 13 | D | 81.6 | Confident | 77.4 | Confident | 72 Ų | 72 | 57.6 Ų | 57.6 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 174.9 | -176.6 | 53 | 0 | 0 | 0 | 112.3 | K9 H10 F11 I15 G16 K17 | K9-D13 PolarHBondContact O-N 2.97Å; K9-D13 VanDerWaalsContact O-N 3.12Å; H10-D13 WeakPolarHBondContact O-CB 3.41Å; H10-D13 PolarHBondContact O-N 3.27Å; F11-D13 VanDerWaalsContact C-N 3.27Å; F11-D13 PolarHBondContact O-N 2.86Å; D13-I15 PolarHBondContact O-N 3.37Å; D13-G16 WeakPolarHBondContact O-CA 3.49Å; D13-G16 PolarHBondContact O-N 3.23Å; D13-G16 VanDerWaalsContact O-N 3.11Å; D13-K17 WeakPolarHBondContact O-CG 3.41Å; D13-K17 PolarHBondContact O-N 3.38Å; D13-K17 WeakPolarHBondContact OD1-CE 3.38Å; D13-K17 IonicContact OD1-NZ 3.83Å; D13-K17 PolarHBondContact OD1-NZ 3.05Å; D13-K17 WeakPolarHBondContact OD2-CE 3.49Å; D13-K17 IonicContact OD2-NZ 2.85Å; D13-K17 PolarHBondContact OD2-NZ 2.82Å |
| 14 | L | 83.3 | Confident | 77.7 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 176.2 | -70.4 | 173.8 | 0 | 0 | 0 | 112.5 | H10 F11 G16 K17 N18 R19 D22 A23 L26 | H10-L14 VanDerWaalsContact CD2-CD1 3.45Å; H10-L14 WeakPolarHBondContact CD2-CD1 3.33Å; H10-L14 WeakPolarHBondContact O-CG 3.48Å; H10-L14 PolarHBondContact O-N 2.98Å; F11-L14 PolarHBondContact O-N 3.1Å; L14-G16 VanDerWaalsContact C-N 3.31Å; L14-G16 PolarHBondContact O-N 3.19Å; L14-K17 CarbonylContact O-C 3.27Å; L14-K17 PolarHBondContact O-N 2.9Å; L14-N18 PolarHBondContact O-N 3.47Å; L14-N18 VanDerWaalsContact O-N 3.13Å; L14-R19 HydrophobicContact CD2-CB 3.99Å; L14-R19 PolarHBondContact O-N 3.34Å; L14-D22 HydrophobicContact CD1-CB 3.87Å; L14-D22 HydrophobicContact CD2-CB 4.03Å; L14-A23 HydrophobicContact CB-CB 3.88Å; L14-A23 HydrophobicContact CD1-CB 4.48Å; L14-L26 HydrophobicContact CD1-CB 4.38Å; L14-L26 HydrophobicContact CD1-CD2 3.88Å |
| 15 | I | 72.9 | Confident | 78.2 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 9% | 0.087 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 171.5 | -75.7 | -165.5 | 0 | 0 | 0 | 110.4 | F11 D13 K17 N18 A23 C61 K64 | F11-I15 HydrophobicContact CD1-CD1 4.39Å; F11-I15 HydrophobicContact CE1-CD1 3.45Å; F11-I15 VanDerWaalsContact CE1-CD1 3.45Å; F11-I15 HydrophobicContact CE1-CG1 4.18Å; F11-I15 HydrophobicContact CE2-CD1 3.75Å; F11-I15 HydrophobicContact CE2-CG1 3.91Å; F11-I15 HydrophobicContact CZ-CD1 3.12Å; F11-I15 HydrophobicContact CZ-CG1 3.8Å; F11-I15 PolarHBondContact O-N 3.42Å; D13-I15 PolarHBondContact O-N 3.37Å; I15-K17 VanDerWaalsContact C-N 3.29Å; I15-K17 PolarHBondContact O-N 2.91Å; I15-N18 PolarHBondContact O-N 3.4Å; I15-N18 VanDerWaalsContact O-N 3.15Å; I15-A23 HydrophobicContact CG1-CB 4.21Å; I15-C61 HydrophobicContact CD1-CB 4.06Å; I15-K64 HydrophobicContact CG2-CD 3.89Å; I15-K64 PolarHBondContact O-NZ 2.84Å |
| 16 | G | 75.7 | Confident | 78.8 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 57% | 0.567 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -55.5 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | V12 D13 L14 N18 | V12-G16 PolarHBondContact O-N 2.67Å; D13-G16 WeakPolarHBondContact O-CA 3.49Å; D13-G16 PolarHBondContact O-N 3.23Å; D13-G16 VanDerWaalsContact O-N 3.11Å; L14-G16 VanDerWaalsContact C-N 3.31Å; L14-G16 PolarHBondContact O-N 3.19Å; G16-N18 VanDerWaalsContact C-N 3.26Å; G16-N18 PolarHBondContact O-N 3.11Å |
| 17 | K | 81.2 | Confident | 78.8 | Confident | 129 Ų | 129 | 56.4 Ų | 56.4 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 5.3 | 178.8 | -68 | 171.6 | 178.6 | 165.2 | 0 | 114.8 | D13 L14 I15 R19 | D13-K17 WeakPolarHBondContact O-CG 3.41Å; D13-K17 PolarHBondContact O-N 3.38Å; D13-K17 WeakPolarHBondContact OD1-CE 3.38Å; D13-K17 IonicContact OD1-NZ 3.83Å; D13-K17 PolarHBondContact OD1-NZ 3.05Å; D13-K17 WeakPolarHBondContact OD2-CE 3.49Å; D13-K17 IonicContact OD2-NZ 2.85Å; D13-K17 PolarHBondContact OD2-NZ 2.82Å; L14-K17 CarbonylContact O-C 3.27Å; L14-K17 PolarHBondContact O-N 2.9Å; I15-K17 VanDerWaalsContact C-N 3.29Å; I15-K17 PolarHBondContact O-N 2.91Å; K17-R19 HydrophobicContact CB-CG 4.35Å; K17-R19 PolarHBondContact O-N 3.18Å; K17-R19 VanDerWaalsContact O-N 3.16Å |
| 18 | N | 75.8 | Confident | 78.9 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 36% | 0.358 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 24.8 | -176.5 | -148.1 | 24.6 | 0 | 0 | 0 | 114.9 | L14 I15 G16 L20 | L14-N18 PolarHBondContact O-N 3.47Å; L14-N18 VanDerWaalsContact O-N 3.13Å; I15-N18 PolarHBondContact O-N 3.4Å; I15-N18 VanDerWaalsContact O-N 3.15Å; G16-N18 VanDerWaalsContact C-N 3.26Å; G16-N18 PolarHBondContact O-N 3.11Å; N18-L20 VanDerWaalsContact C-N 3.3Å; N18-L20 PolarHBondContact O-N 2.89Å; N18-L20 VanDerWaalsContact O-N 3.12Å |
| 19 | R | 81.1 | Confident | 79.2 | Confident | 130 Ų | 130 | 63.2 Ų | 63.2 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | trans | -86.6 | 69.3 | 175.8 | -73.1 | -174.1 | 64.7 | 179.2 | -1.5 | 110 | L14 K17 D21 D22 A23 | L14-R19 HydrophobicContact CD2-CB 3.99Å; L14-R19 PolarHBondContact O-N 3.34Å; K17-R19 HydrophobicContact CB-CG 4.35Å; K17-R19 PolarHBondContact O-N 3.18Å; K17-R19 VanDerWaalsContact O-N 3.16Å; R19-D21 PolarHBondContact O-N 3.17Å; R19-D22 HydrophobicContact CB-CB 4.41Å; R19-D22 IonicContact CZ-OD2 2.79Å; R19-D22 IonicContact NE-OD2 2.86Å; R19-D22 PolarHBondContact NE-OD2 3.29Å; R19-D22 IonicContact NH2-OD1 2.68Å; R19-D22 PolarHBondContact NH2-OD1 3.37Å; R19-D22 VanDerWaalsContact NH2-OD1 3.1Å; R19-D22 IonicContact NH2-OD2 3.18Å; R19-D22 PolarHBondContact NH2-OD2 2.95Å; R19-A23 WeakPolarHBondContact O-CB 3.33Å; R19-A23 PolarHBondContact O-N 3.44Å | ||
| 20 | L | 79.1 | Confident | 79.1 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.3 | -34.5 | -167.3 | -61.9 | 177 | 0 | 0 | 0 | 113.9 | N18 A23 A24 K64 M65 L73 | N18-L20 VanDerWaalsContact C-N 3.3Å; N18-L20 PolarHBondContact O-N 2.89Å; N18-L20 VanDerWaalsContact O-N 3.12Å; L20-A23 WeakPolarHBondContact O-CB 3.46Å; L20-A23 PolarHBondContact O-N 3.15Å; L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.44Å; L20-K64 HydrophobicContact CD1-CB 4.44Å; L20-K64 HydrophobicContact CD2-CB 4.09Å; L20-M65 HydrophobicContact CD1-CG 4.16Å; L20-L73 HydrophobicContact CB-CD2 3.84Å; L20-L73 HydrophobicContact CD1-CD2 4.19Å |
| 21 | D | 79.8 | Confident | 78.8 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.3 | -48.6 | 176.2 | -78.4 | -73.9 | 0 | 0 | 0 | 112.2 | R19 A23 A24 E25 H70 K76 | R19-D21 PolarHBondContact O-N 3.17Å; D21-A23 VanDerWaalsContact C-N 3.26Å; D21-A23 PolarHBondContact O-N 3.04Å; D21-A24 PolarHBondContact O-N 2.7Å; D21-E25 PolarHBondContact O-N 3.21Å; D21-H70 IonicContact OD2-CE1 3.01Å; D21-H70 IonicContact OD2-NE2 2.75Å; D21-K76 IonicContact OD1-NZ 3.86Å; D21-K76 PolarHBondContact OD1-NZ 3.19Å |
| 22 | D | 82.3 | Confident | 78.6 | Confident | 60 Ų | 60 | 53.2 Ų | 53.2 | 32% | 0.321 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 175.8 | -56 | -71.7 | 0 | 0 | 0 | 110.9 | L14 R19 E25 L26 | L14-D22 HydrophobicContact CD1-CB 3.87Å; L14-D22 HydrophobicContact CD2-CB 4.03Å; R19-D22 HydrophobicContact CB-CB 4.41Å; R19-D22 IonicContact CZ-OD2 2.79Å; R19-D22 IonicContact NE-OD2 2.86Å; R19-D22 PolarHBondContact NE-OD2 3.29Å; R19-D22 IonicContact NH2-OD1 2.68Å; R19-D22 PolarHBondContact NH2-OD1 3.37Å; R19-D22 VanDerWaalsContact NH2-OD1 3.1Å; R19-D22 IonicContact NH2-OD2 3.18Å; R19-D22 PolarHBondContact NH2-OD2 2.95Å; D22-E25 PolarHBondContact O-N 3.46Å; D22-L26 WeakPolarHBondContact O-CB 3.4Å; D22-L26 PolarHBondContact O-N 2.89Å |
| 23 | A | 80 | Confident | 78.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F11 L14 I15 R19 L20 D21 L26 I27 | F11-A23 HydrophobicContact CD2-CB 3.95Å; F11-A23 WeakPolarHBondContact CD2-O 3.36Å; F11-A23 HydrophobicContact CE2-CB 3.78Å; L14-A23 HydrophobicContact CB-CB 3.88Å; L14-A23 HydrophobicContact CD1-CB 4.48Å; I15-A23 HydrophobicContact CG1-CB 4.21Å; R19-A23 WeakPolarHBondContact O-CB 3.33Å; R19-A23 PolarHBondContact O-N 3.44Å; L20-A23 WeakPolarHBondContact O-CB 3.46Å; L20-A23 PolarHBondContact O-N 3.15Å; D21-A23 VanDerWaalsContact C-N 3.26Å; D21-A23 PolarHBondContact O-N 3.04Å; A23-L26 PolarHBondContact O-N 2.75Å; A23-I27 WeakPolarHBondContact O-CD1 3.12Å; A23-I27 WeakPolarHBondContact O-CG1 3.46Å; A23-I27 PolarHBondContact O-N 3.14Å |
| 24 | A | 76.5 | Confident | 78 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L20 D21 I27 K28 L73 I80 | L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.44Å; D21-A24 PolarHBondContact O-N 2.7Å; A24-I27 WeakPolarHBondContact O-CB 3.18Å; A24-I27 PolarHBondContact O-N 3.02Å; A24-K28 PolarHBondContact O-N 2.85Å; A24-K28 VanDerWaalsContact O-N 3.13Å; A24-L73 HydrophobicContact CB-CD1 4.03Å; A24-I80 HydrophobicContact CB-CD1 4.05Å; A24-I80 VanDerWaalsContact O-CD1 3.22Å; A24-I80 WeakPolarHBondContact O-CD1 3.35Å |
| 25 | E | 81.1 | Confident | 77.4 | Confident | 130 Ų | 130 | 49 Ų | 49 | 61% | 0.607 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65 | -43.5 | 177.1 | -166.8 | 151.6 | -154 | 0 | 0 | 111.7 | D21 D22 I27 K28 E29 | D21-E25 PolarHBondContact O-N 3.21Å; D22-E25 PolarHBondContact O-N 3.46Å; E25-I27 VanDerWaalsContact C-N 3.31Å; E25-I27 PolarHBondContact O-N 3.17Å; E25-K28 WeakPolarHBondContact O-CB 3.43Å; E25-K28 PolarHBondContact O-N 3.45Å; E25-K28 VanDerWaalsContact O-N 3.15Å; E25-E29 PolarHBondContact O-N 2.76Å |
| 26 | L | 81.4 | Confident | 77.1 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.7 | -34.1 | 174.6 | -173.6 | 65.2 | 0 | 0 | 0 | 112.8 | K7 H10 F11 L14 D22 A23 K28 E29 L30 | K7-L26 HydrophobicContact CB-CD1 4.13Å; K7-L26 HydrophobicContact CD-CD1 4.08Å; K7-L26 HydrophobicContact CG-CD1 4.08Å; K7-L26 WeakPolarHBondContact O-CD2 3.47Å; H10-L26 HydrophobicContact CB-CD2 3.85Å; F11-L26 HydrophobicContact CB-CD2 3.77Å; F11-L26 HydrophobicContact CB-CG 4.48Å; F11-L26 VanDerWaalsContact N-CD2 3.33Å; L14-L26 HydrophobicContact CD1-CB 4.38Å; L14-L26 HydrophobicContact CD1-CD2 3.88Å; D22-L26 WeakPolarHBondContact O-CB 3.4Å; D22-L26 PolarHBondContact O-N 2.89Å; A23-L26 PolarHBondContact O-N 2.75Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-E29 PolarHBondContact O-N 3.15Å; L26-L30 WeakPolarHBondContact O-CB 3.22Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 3Å |
| 27 | I | 75.6 | Confident | 76.3 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 173.2 | -71.9 | 162.5 | 0 | 0 | 0 | 110.5 | F11 A23 A24 E25 E29 L30 V31 F54 L58 I80 | F11-I27 HydrophobicContact CD2-CD1 4Å; F11-I27 HydrophobicContact CD2-CG1 3.52Å; F11-I27 HydrophobicContact CE2-CD1 3.1Å; F11-I27 HydrophobicContact CE2-CG1 3.14Å; F11-I27 HydrophobicContact CG-CG1 4.39Å; F11-I27 HydrophobicContact CZ-CD1 3.51Å; F11-I27 HydrophobicContact CZ-CG1 3.72Å; A23-I27 WeakPolarHBondContact O-CD1 3.12Å; A23-I27 WeakPolarHBondContact O-CG1 3.46Å; A23-I27 PolarHBondContact O-N 3.14Å; A24-I27 WeakPolarHBondContact O-CB 3.18Å; A24-I27 PolarHBondContact O-N 3.02Å; E25-I27 VanDerWaalsContact C-N 3.31Å; E25-I27 PolarHBondContact O-N 3.17Å; I27-E29 VanDerWaalsContact C-N 3.3Å; I27-E29 PolarHBondContact O-N 3.23Å; I27-L30 CarbonylContact O-C 3.57Å; I27-L30 WeakPolarHBondContact O-CA 3.36Å; I27-L30 WeakPolarHBondContact O-CB 3.43Å; I27-L30 PolarHBondContact O-N 3.38Å; I27-V31 PolarHBondContact O-N 3.13Å; I27-F54 HydrophobicContact CB-CE2 4.48Å; I27-F54 HydrophobicContact CG2-CD2 4.31Å; I27-F54 HydrophobicContact CG2-CE1 4.28Å; I27-F54 HydrophobicContact CG2-CE2 3.22Å; I27-F54 HydrophobicContact CG2-CZ 3.17Å; I27-L58 HydrophobicContact CD1-CD2 3.71Å; I27-L58 HydrophobicContact CD1-CG 4.47Å; I27-L58 HydrophobicContact CG2-CD2 4.19Å; I27-L58 HydrophobicContact CG2-CG 4.46Å; I27-I80 HydrophobicContact CB-CD1 4.22Å; I27-I80 HydrophobicContact CG2-CD1 4.18Å; I27-I80 HydrophobicContact CG2-CG2 3.49Å; I27-I80 VanDerWaalsContact CG2-CG2 3.49Å |
| 28 | K | 78.6 | Confident | 75.1 | Confident | 125 Ų | 125 | 54.1 Ų | 54.1 | 54% | 0.543 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 178.1 | -173.2 | -178.5 | 175.8 | -175.8 | 0 | 110.8 | A24 E25 L26 L30 V31 D32 I80 | A24-K28 PolarHBondContact O-N 2.85Å; A24-K28 VanDerWaalsContact O-N 3.13Å; E25-K28 WeakPolarHBondContact O-CB 3.43Å; E25-K28 PolarHBondContact O-N 3.45Å; E25-K28 VanDerWaalsContact O-N 3.15Å; L26-K28 VanDerWaalsContact C-N 3.33Å; K28-L30 VanDerWaalsContact C-N 3.3Å; K28-L30 PolarHBondContact O-N 2.92Å; K28-V31 WeakPolarHBondContact O-CB 3.32Å; K28-V31 PolarHBondContact O-N 3.28Å; K28-D32 PolarHBondContact O-N 2.96Å; K28-D32 VanDerWaalsContact O-N 3.1Å; K28-I80 HydrophobicContact CB-CG1 4.31Å |
| 29 | E | 80.1 | Confident | 74.2 | Confident | 86 Ų | 86 | 57.6 Ų | 57.6 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.5 | -34.4 | 174.1 | -61.2 | -173.5 | 169.5 | 0 | 0 | 113.2 | K7 E25 L26 I27 D32 V33 | K7-E29 IonicContact NZ-OE2 2.86Å; K7-E29 PolarHBondContact NZ-OE2 3.39Å; E25-E29 PolarHBondContact O-N 2.76Å; L26-E29 PolarHBondContact O-N 3.15Å; I27-E29 VanDerWaalsContact C-N 3.3Å; I27-E29 PolarHBondContact O-N 3.23Å; E29-D32 PolarHBondContact O-N 3.44Å; E29-V33 WeakPolarHBondContact O-CG2 3.36Å; E29-V33 PolarHBondContact O-N 2.83Å |
| 30 | L | 76.7 | Confident | 72.7 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 175.1 | -82.1 | 167.5 | 0 | 0 | 0 | 112 | F4 K7 F11 L26 I27 K28 D32 G34 W53 | F4-L30 HydrophobicContact CD2-CD2 3.7Å; F4-L30 HydrophobicContact CE2-CD2 3.87Å; F4-L30 HydrophobicContact CG-CD2 4.26Å; K7-L30 HydrophobicContact CB-CD2 3.46Å; K7-L30 VanDerWaalsContact CB-CD2 3.46Å; K7-L30 HydrophobicContact CB-CG 3.94Å; F11-L30 HydrophobicContact CB-CD1 4.13Å; F11-L30 HydrophobicContact CG-CD1 4.5Å; L26-L30 WeakPolarHBondContact O-CB 3.22Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 3Å; I27-L30 CarbonylContact O-C 3.57Å; I27-L30 WeakPolarHBondContact O-CA 3.36Å; I27-L30 WeakPolarHBondContact O-CB 3.43Å; I27-L30 PolarHBondContact O-N 3.38Å; K28-L30 VanDerWaalsContact C-N 3.3Å; K28-L30 PolarHBondContact O-N 2.92Å; L30-D32 VanDerWaalsContact C-N 3.28Å; L30-G34 WeakPolarHBondContact O-CA 3.28Å; L30-G34 PolarHBondContact O-N 3.37Å; L30-W53 HydrophobicContact CD1-CH2 4.37Å; L30-W53 HydrophobicContact CD1-CZ3 4.36Å |
| 31 | V | 76 | Confident | 71.4 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 170.4 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | I27 K28 F35 F54 I80 L84 K87 | I27-V31 PolarHBondContact O-N 3.13Å; K28-V31 WeakPolarHBondContact O-CB 3.32Å; K28-V31 PolarHBondContact O-N 3.28Å; V31-F35 HydrophobicContact CG1-CD2 4.41Å; V31-F35 PolarHBondContact O-N 2.94Å; V31-F35 VanDerWaalsContact O-N 3.13Å; V31-F54 HydrophobicContact CB-CE2 4.49Å; V31-F54 HydrophobicContact CG2-CD2 4.34Å; V31-F54 HydrophobicContact CG2-CE1 4.01Å; V31-F54 HydrophobicContact CG2-CE2 3.25Å; V31-F54 HydrophobicContact CG2-CZ 3.07Å; V31-I80 HydrophobicContact CG2-CG2 4.31Å; V31-L84 HydrophobicContact CG1-CB 4.47Å; V31-L84 HydrophobicContact CG1-CD1 4.22Å; V31-L84 HydrophobicContact CG2-CD1 4.26Å; V31-K87 HydrophobicContact CG1-CD 4.08Å |
| 32 | D | 76.9 | Confident | 70.3 | Confident | 63 Ų | 63 | 65.2 Ų | 65.2 | 34% | 0.337 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.8 | -49.2 | -176.8 | -68 | -28.5 | 0 | 0 | 0 | 112.8 | K28 E29 L30 E36 K87 | K28-D32 PolarHBondContact O-N 2.96Å; K28-D32 VanDerWaalsContact O-N 3.1Å; E29-D32 PolarHBondContact O-N 3.44Å; L30-D32 VanDerWaalsContact C-N 3.28Å; D32-E36 WeakPolarHBondContact O-CB 3.45Å; D32-E36 PolarHBondContact O-N 3.32Å; D32-K87 VanDerWaalsContact CA-NZ 3.34Å; D32-K87 WeakPolarHBondContact OD1-CE 3.19Å; D32-K87 IonicContact OD1-NZ 2.63Å; D32-K87 PolarHBondContact OD1-NZ 3.3Å |
| 33 | V | 74.6 | Confident | 69.4 | Low | 61 Ų | 61 | 63.4 Ų | 63.4 | 37% | 0.37 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.9 | -33.1 | 178.9 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | A3 E29 | A3-V33 HydrophobicContact CB-CG1 4.22Å; E29-V33 WeakPolarHBondContact O-CG2 3.36Å; E29-V33 PolarHBondContact O-N 2.83Å |
| 34 | G | 68.8 | Low | 69 | Low | 15 Ų | 15 | 65.9 Ų | 65.9 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -79 | -27.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L30 | L30-G34 WeakPolarHBondContact O-CA 3.28Å; L30-G34 PolarHBondContact O-N 3.37Å |
| 35 | F | 71.9 | Confident | 68.7 | Low | 5 Ų | 5 | 71.4 Ų | 71.4 | 2% | 0.022 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -131.8 | 16.6 | -169.7 | -56.8 | -78.4 | 0 | 0 | 0 | 113.9 | V31 H37 A38 T47 R50 L51 L84 K87 C88 | V31-F35 HydrophobicContact CG1-CD2 4.41Å; V31-F35 PolarHBondContact O-N 2.94Å; V31-F35 VanDerWaalsContact O-N 3.13Å; F35-H37 PolarHBondContact O-N 3.42Å; F35-H37 VanDerWaalsContact O-N 3.11Å; F35-A38 HydrophobicContact CB-CB 4.14Å; F35-A38 HydrophobicContact CD1-CB 4.48Å; F35-A38 WeakPolarHBondContact O-CB 3.49Å; F35-A38 PolarHBondContact O-N 2.88Å; F35-T47 HydrophobicContact CD1-CG2 4.05Å; F35-T47 HydrophobicContact CE1-CG2 3.82Å; F35-R50 HydrophobicContact CE1-CB 4.3Å; F35-R50 HydrophobicContact CZ-CB 4.04Å; F35-L51 HydrophobicContact CE1-CD1 4.49Å; F35-L51 HydrophobicContact CE1-CD2 3.96Å; F35-L51 HydrophobicContact CE1-CG 3.74Å; F35-L51 HydrophobicContact CZ-CD2 3.82Å; F35-L51 HydrophobicContact CZ-CG 3.85Å; F35-L84 HydrophobicContact CD2-CD1 3.85Å; F35-L84 HydrophobicContact CE2-CD1 3.64Å; F35-L84 HydrophobicContact CZ-CD1 4.19Å; F35-K87 HydrophobicContact CB-CB 4.29Å; F35-K87 HydrophobicContact CB-CD 4.4Å; F35-C88 WeakPolarHBondContact CD1-SG 3.34Å |
| 36 | E | 65.5 | Low | 68.3 | Low | 129 Ų | 129 | 68.3 Ų | 68.3 | 60% | 0.603 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -32.5 | -179.2 | -148.3 | 175.3 | -160 | 0 | 0 | 113.9 | D32 | D32-E36 WeakPolarHBondContact O-CB 3.45Å; D32-E36 PolarHBondContact O-N 3.32Å |
| 37 | H | 60.6 | Low | 68 | Low | 160 Ų | 160 | 68.3 Ų | 68.3 | 74% | 0.741 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 7 | -177.7 | -63.4 | 64.5 | 0 | 0 | 0 | 113.3 | F35 N39 | F35-H37 PolarHBondContact O-N 3.42Å; F35-H37 VanDerWaalsContact O-N 3.11Å; H37-N39 PolarHBondContact O-N 3.4Å; H37-N39 VanDerWaalsContact O-N 3.1Å |
| 38 | A | 55.9 | Low | 68.1 | Low | 18 Ų | 18 | 72.5 Ų | 72.5 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | trans | -84.9 | 36.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | F35 G40 | F35-A38 HydrophobicContact CB-CB 4.14Å; F35-A38 HydrophobicContact CD1-CB 4.48Å; F35-A38 WeakPolarHBondContact O-CB 3.49Å; F35-A38 PolarHBondContact O-N 2.88Å; A38-G40 VanDerWaalsContact C-N 3.31Å; A38-G40 PolarHBondContact O-N 3.26Å | ||
| 39 | N | 55.2 | Low | 68.1 | Low | 140 Ų | 140 | 70.2 Ų | 70.2 | 75% | 0.749 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -69.8 | 79 | -177.7 | -79.2 | -17 | 0 | 0 | 0 | 112.4 | H37 L41 | H37-N39 PolarHBondContact O-N 3.4Å; H37-N39 VanDerWaalsContact O-N 3.1Å; N39-L41 VanDerWaalsContact C-N 3.27Å; N39-L41 PolarHBondContact O-N 2.96Å |
| 40 | G | 51.3 | Low | 68.1 | Low | 58 Ų | 58 | 68.5 Ų | 68.5 | 60% | 0.598 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 71.9 | 14.5 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | A38 | A38-G40 VanDerWaalsContact C-N 3.31Å; A38-G40 PolarHBondContact O-N 3.26Å |
| 41 | L | 51.8 | Low | 68.3 | Low | 128 Ų | 128 | 68.5 Ų | 68.5 | 67% | 0.67 | 38% | 0.381 | S | S | * | . | trans | -75.7 | 146.7 | 174.6 | -84.3 | 151.8 | 0 | 0 | 0 | 111.3 | N39 I43 | N39-L41 VanDerWaalsContact C-N 3.27Å; N39-L41 PolarHBondContact O-N 2.96Å; L41-I43 PolarHBondContact O-N 3.24Å | ||
| 42 | I | 54.9 | Low | 68.7 | Low | 165 Ų | 165 | 72.1 Ų | 72.1 | 85% | 0.846 | 40% | 0.4 | S | S | * | . | trans | -49.9 | 126.9 | 169 | -61.6 | 169.9 | 0 | 0 | 0 | 108.8 | S44 | I42-S44 PolarHBondContact O-N 3.48Š| ||
| 43 | I | 64.8 | Low | 69.1 | Low | 23 Ų | 23 | 73.2 Ų | 73.2 | 12% | 0.118 | 40% | 0.4 | C | S | . | . | trans | -68 | 104.3 | -176.4 | -63.9 | 166.5 | 0 | 0 | 0 | 108.5 | L41 T47 R48 L51 L90 E93 | L41-I43 PolarHBondContact O-N 3.24Å; I43-T47 HydrophobicContact CG2-CG2 4.11Å; I43-R48 HydrophobicContact CG2-CB 3.84Å; I43-L51 HydrophobicContact CD1-CD1 4.29Å; I43-L51 HydrophobicContact CG2-CD1 4.08Å; I43-L90 HydrophobicContact CD1-CD2 3.69Å; I43-E93 HydrophobicContact CD1-CG 3.39Å | ||
| 44 | S | 70.6 | Confident | 69.5 | Low | 52 Ų | 52 | 70.4 Ų | 70.4 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | trans | -61 | 155.7 | 171.3 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | I42 S46 T47 R48 | I42-S44 PolarHBondContact O-N 3.48Å; S44-S46 PolarHBondContact O-N 3.26Å; S44-S46 VanDerWaalsContact O-N 3.1Å; S44-S46 PolarHBondContact OG-OG 3.12Å; S44-T47 CarbonylContact O-C 3.49Å; S44-T47 WeakPolarHBondContact O-CA 3.46Å; S44-T47 WeakPolarHBondContact O-CB 3.48Å; S44-T47 PolarHBondContact O-N 3.34Å; S44-T47 WeakPolarHBondContact OG-CB 3.41Å; S44-T47 PolarHBondContact OG-N 3.25Å; S44-T47 PolarHBondContact OG-OG1 3.31Å; S44-R48 PolarHBondContact O-N 2.97Å | ||
| 45 | D | 70.7 | Confident | 70.3 | Confident | 118 Ų | 118 | 69.8 Ų | 69.8 | 63% | 0.631 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -55.2 | -32.4 | 175.2 | -69.4 | -38.1 | 0 | 0 | 0 | 112.7 | R48 S49 | D45-R48 IonicContact OD1-NH1 3.64Å; D45-S49 WeakPolarHBondContact O-CB 3.42Å; D45-S49 PolarHBondContact O-N 3.01Å; D45-S49 PolarHBondContact O-OG 3.04Å |
| 46 | S | 72.4 | Confident | 70.9 | Confident | 64 Ų | 64 | 75.4 Ų | 75.4 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.8 | -37 | 174.1 | 62.3 | 0 | 0 | 0 | 0 | 113 | S44 R50 | S44-S46 PolarHBondContact O-N 3.26Å; S44-S46 VanDerWaalsContact O-N 3.1Å; S44-S46 PolarHBondContact OG-OG 3.12Å; S46-R50 WeakPolarHBondContact O-CG 3.4Å; S46-R50 PolarHBondContact O-N 3.32Å |
| 47 | T | 75 | Confident | 71.7 | Confident | 19 Ų | 19 | 69.7 Ų | 69.7 | 12% | 0.117 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -74.2 | -40.9 | 176.1 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | F35 I43 S44 S49 R50 L51 | F35-T47 HydrophobicContact CD1-CG2 4.05Å; F35-T47 HydrophobicContact CE1-CG2 3.82Å; I43-T47 HydrophobicContact CG2-CG2 4.11Å; S44-T47 CarbonylContact O-C 3.49Å; S44-T47 WeakPolarHBondContact O-CA 3.46Å; S44-T47 WeakPolarHBondContact O-CB 3.48Å; S44-T47 PolarHBondContact O-N 3.34Å; S44-T47 WeakPolarHBondContact OG-CB 3.41Å; S44-T47 PolarHBondContact OG-N 3.25Å; S44-T47 PolarHBondContact OG-OG1 3.31Å; T47-S49 VanDerWaalsContact C-N 3.33Å; T47-S49 PolarHBondContact O-N 2.97Å; T47-R50 PolarHBondContact O-N 3.28Å; T47-R50 PolarHBondContact OG1-NH2 3.36Å; T47-L51 HydrophobicContact CG2-CD1 4.28Å; T47-L51 WeakPolarHBondContact O-CG 3.31Å; T47-L51 PolarHBondContact O-N 3.25Å |
| 48 | R | 77.1 | Confident | 72.8 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 172.3 | -173.9 | 179 | -77.5 | 150.8 | -4.9 | 111.5 | I43 S44 D45 R50 L51 N52 E93 I96 | I43-R48 HydrophobicContact CG2-CB 3.84Å; S44-R48 PolarHBondContact O-N 2.97Å; D45-R48 IonicContact OD1-NH1 3.64Å; R48-R50 VanDerWaalsContact C-N 3.35Å; R48-R50 PolarHBondContact O-N 2.98Å; R48-L51 WeakPolarHBondContact O-CB 3.49Å; R48-L51 PolarHBondContact O-N 3.16Å; R48-N52 WeakPolarHBondContact O-CB 3.37Å; R48-N52 PolarHBondContact O-N 3.22Å; R48-E93 IonicContact CZ-OE1 3.27Å; R48-E93 IonicContact CZ-OE2 2.75Å; R48-E93 IonicContact NE-OE1 2.85Å; R48-E93 IonicContact NE-OE2 3.7Å; R48-E93 PolarHBondContact NE-OE2 3.38Å; R48-E93 IonicContact NH2-OE1 3.71Å; R48-E93 PolarHBondContact NH2-OE1 2.92Å; R48-E93 IonicContact NH2-OE2 2.67Å; R48-E93 PolarHBondContact NH2-OE2 2.93Å; R48-E93 VanDerWaalsContact NH2-OE2 3.14Å; R48-I96 HydrophobicContact CG-CD1 4.33Å |
| 49 | S | 78.9 | Confident | 74.2 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 54% | 0.538 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61 | -42 | 176.2 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | D45 T47 N52 W53 | D45-S49 WeakPolarHBondContact O-CB 3.42Å; D45-S49 PolarHBondContact O-N 3.01Å; D45-S49 PolarHBondContact O-OG 3.04Å; T47-S49 VanDerWaalsContact C-N 3.33Å; T47-S49 PolarHBondContact O-N 2.97Å; S49-N52 PolarHBondContact O-N 3.24Å; S49-W53 WeakPolarHBondContact O-CB 3.44Å; S49-W53 PolarHBondContact O-N 2.88Å |
| 50 | R | 79.8 | Confident | 75.6 | Confident | 51 Ų | 51 | 62.9 Ų | 62.9 | 19% | 0.192 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 174 | -75.1 | -174.1 | -68.5 | -103.8 | -2.5 | 112.3 | F4 F35 S46 T47 R48 W53 F54 | F4-R50 HydrophobicContact CE1-CG 4.44Å; F4-R50 HydrophobicContact CZ-CG 4.38Å; F35-R50 HydrophobicContact CE1-CB 4.3Å; F35-R50 HydrophobicContact CZ-CB 4.04Å; S46-R50 WeakPolarHBondContact O-CG 3.4Å; S46-R50 PolarHBondContact O-N 3.32Å; T47-R50 PolarHBondContact O-N 3.28Å; T47-R50 PolarHBondContact OG1-NH2 3.36Å; R48-R50 VanDerWaalsContact C-N 3.35Å; R48-R50 PolarHBondContact O-N 2.98Å; R50-W53 PolarHBondContact O-N 2.91Å; R50-F54 VanDerWaalsContact O-CB 3.26Å; R50-F54 WeakPolarHBondContact O-CB 3.26Å; R50-F54 PolarHBondContact O-N 3.44Å |
| 51 | L | 82.8 | Confident | 77.1 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 176.1 | -79.6 | 162.5 | 0 | 0 | 0 | 111.6 | F35 I43 T47 R48 F54 L55 L84 L90 I96 | F35-L51 HydrophobicContact CE1-CD1 4.49Å; F35-L51 HydrophobicContact CE1-CD2 3.96Å; F35-L51 HydrophobicContact CE1-CG 3.74Å; F35-L51 HydrophobicContact CZ-CD2 3.82Å; F35-L51 HydrophobicContact CZ-CG 3.85Å; I43-L51 HydrophobicContact CD1-CD1 4.29Å; I43-L51 HydrophobicContact CG2-CD1 4.08Å; T47-L51 HydrophobicContact CG2-CD1 4.28Å; T47-L51 WeakPolarHBondContact O-CG 3.31Å; T47-L51 PolarHBondContact O-N 3.25Å; R48-L51 WeakPolarHBondContact O-CB 3.49Å; R48-L51 PolarHBondContact O-N 3.16Å; L51-F54 WeakPolarHBondContact O-CB 3.4Å; L51-F54 PolarHBondContact O-N 3.09Å; L51-L55 WeakPolarHBondContact O-CG 3.45Å; L51-L55 PolarHBondContact O-N 2.84Å; L51-L84 HydrophobicContact CD2-CD1 3.81Å; L51-L84 HydrophobicContact CD2-CD2 3.94Å; L51-L84 HydrophobicContact CD2-CG 4.09Å; L51-L90 HydrophobicContact CD1-CD2 3.75Å; L51-L90 HydrophobicContact CD2-CD2 4.3Å; L51-I96 HydrophobicContact CB-CD1 4.11Å; L51-I96 HydrophobicContact CD1-CD1 3.98Å |
| 52 | N | 84 | Confident | 78.7 | Confident | 78 Ų | 78 | 54.1 Ų | 54.1 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 178 | -77.9 | -23.3 | 0 | 0 | 0 | 111.8 | R48 S49 F54 L55 F56 | R48-N52 WeakPolarHBondContact O-CB 3.37Å; R48-N52 PolarHBondContact O-N 3.22Å; S49-N52 PolarHBondContact O-N 3.24Å; N52-F54 VanDerWaalsContact C-N 3.31Å; N52-F54 PolarHBondContact O-N 3.45Å; N52-L55 PolarHBondContact O-N 3.11Å; N52-F56 VanDerWaalsContact O-CB 3.27Å; N52-F56 WeakPolarHBondContact O-CB 3.23Å; N52-F56 PolarHBondContact O-N 2.96Å |
| 53 | W | 83.7 | Confident | 80.1 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 174 | -178.9 | 87.1 | 0 | 0 | 0 | 111.4 | F4 A8 F11 L30 S49 R50 F56 A57 | F4-W53 HydrophobicContact CE1-CE3 4.26Å; F4-W53 HydrophobicContact CE1-CZ3 4.4Å; F4-W53 AromaticContact CZ-CE3 3.82Å; F4-W53 HydrophobicContact CZ-CE3 3.82Å; F4-W53 AromaticContact CZ-CZ3 3.91Å; F4-W53 HydrophobicContact CZ-CZ3 3.91Å; A8-W53 HydrophobicContact CB-CH2 3.38Å; A8-W53 HydrophobicContact CB-CZ2 3.59Å; A8-W53 HydrophobicContact CB-CZ3 4.13Å; F11-W53 HydrophobicContact CD1-CH2 4.17Å; L30-W53 HydrophobicContact CD1-CH2 4.37Å; L30-W53 HydrophobicContact CD1-CZ3 4.36Å; S49-W53 WeakPolarHBondContact O-CB 3.44Å; S49-W53 PolarHBondContact O-N 2.88Å; R50-W53 PolarHBondContact O-N 2.91Å; W53-F56 PolarHBondContact O-N 3.34Å; W53-A57 HydrophobicContact CH2-CB 4.46Å; W53-A57 HydrophobicContact CZ3-CB 4.46Å; W53-A57 VanDerWaalsContact O-CB 3.3Å; W53-A57 WeakPolarHBondContact O-CB 3.35Å; W53-A57 PolarHBondContact O-N 2.87Å |
| 54 | F | 83.1 | Confident | 81 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 179.4 | -176 | -89.8 | 0 | 0 | 0 | 112.8 | I27 V31 R50 L51 N52 F56 A57 L58 I80 L84 | I27-F54 HydrophobicContact CB-CE2 4.48Å; I27-F54 HydrophobicContact CG2-CD2 4.31Å; I27-F54 HydrophobicContact CG2-CE1 4.28Å; I27-F54 HydrophobicContact CG2-CE2 3.22Å; I27-F54 HydrophobicContact CG2-CZ 3.17Å; V31-F54 HydrophobicContact CB-CE2 4.49Å; V31-F54 HydrophobicContact CG2-CD2 4.34Å; V31-F54 HydrophobicContact CG2-CE1 4.01Å; V31-F54 HydrophobicContact CG2-CE2 3.25Å; V31-F54 HydrophobicContact CG2-CZ 3.07Å; R50-F54 VanDerWaalsContact O-CB 3.26Å; R50-F54 WeakPolarHBondContact O-CB 3.26Å; R50-F54 PolarHBondContact O-N 3.44Å; L51-F54 WeakPolarHBondContact O-CB 3.4Å; L51-F54 PolarHBondContact O-N 3.09Å; N52-F54 VanDerWaalsContact C-N 3.31Å; N52-F54 PolarHBondContact O-N 3.45Å; F54-F56 VanDerWaalsContact C-N 3.33Å; F54-F56 PolarHBondContact O-N 3.01Å; F54-A57 WeakPolarHBondContact O-CB 3.49Å; F54-A57 PolarHBondContact O-N 3.03Å; F54-L58 HydrophobicContact CD1-CD1 3.81Å; F54-L58 HydrophobicContact CD1-CG 4.38Å; F54-L58 HydrophobicContact CE1-CD1 3.23Å; F54-L58 HydrophobicContact CE1-CG 3.97Å; F54-L58 HydrophobicContact CZ-CD1 3.94Å; F54-L58 HydrophobicContact CZ-CG 4.37Å; F54-L58 PolarHBondContact O-N 3.08Å; F54-I80 HydrophobicContact CE1-CG2 4.14Å; F54-I80 HydrophobicContact CZ-CG2 3.61Å; F54-L84 HydrophobicContact CD1-CD1 4.24Å; F54-L84 HydrophobicContact CD1-CD2 3.76Å; F54-L84 HydrophobicContact CE1-CB 4.46Å; F54-L84 HydrophobicContact CE1-CD1 4.17Å; F54-L84 HydrophobicContact CE1-CD2 3.77Å; F54-L84 HydrophobicContact CE1-CG 4.36Å |
| 55 | L | 86.9 | Confident | 81.6 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.9 | -35.4 | 176.9 | -70.4 | -179.5 | 0 | 0 | 0 | 112 | L51 N52 L58 K59 L81 L84 I96 T99 I100 L103 | L51-L55 WeakPolarHBondContact O-CG 3.45Å; L51-L55 PolarHBondContact O-N 2.84Å; N52-L55 PolarHBondContact O-N 3.11Å; L55-L58 PolarHBondContact O-N 2.72Å; L55-K59 VanDerWaalsContact O-CB 3.29Å; L55-K59 WeakPolarHBondContact O-CB 3.47Å; L55-K59 PolarHBondContact O-N 3.29Å; L55-L81 HydrophobicContact CD2-CD2 4.12Å; L55-L84 HydrophobicContact CD2-CD2 4.26Å; L55-I96 HydrophobicContact CD1-CB 4.38Å; L55-I96 HydrophobicContact CD1-CG2 3.51Å; L55-T99 HydrophobicContact CB-CG2 4.11Å; L55-T99 HydrophobicContact CD1-CG2 4.05Å; L55-I100 HydrophobicContact CD1-CG1 4.16Å; L55-I100 HydrophobicContact CD2-CG1 3.82Å; L55-L103 HydrophobicContact CD2-CD1 4.12Å |
| 56 | F | 83.9 | Confident | 82.2 | Confident | 123 Ų | 123 | 52.7 Ų | 52.7 | 54% | 0.539 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 173.4 | -176.4 | -99.7 | 0 | 0 | 0 | 111.8 | N52 W53 F54 K59 N60 | N52-F56 VanDerWaalsContact O-CB 3.27Å; N52-F56 WeakPolarHBondContact O-CB 3.23Å; N52-F56 PolarHBondContact O-N 2.96Å; W53-F56 PolarHBondContact O-N 3.34Å; F54-F56 VanDerWaalsContact C-N 3.33Å; F54-F56 PolarHBondContact O-N 3.01Å; F56-K59 WeakPolarHBondContact O-CB 3.44Å; F56-K59 PolarHBondContact O-N 2.85Å; F56-N60 WeakPolarHBondContact CE1-ND2 3.35Å; F56-N60 PolarHBondContact O-N 3.18Å; F56-N60 PolarHBondContact O-ND2 3.3Å |
| 57 | A | 81.7 | Confident | 82.5 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 7% | 0.066 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F11 W53 F54 N60 C61 | F11-A57 HydrophobicContact CD1-CB 4.18Å; F11-A57 HydrophobicContact CE1-CB 3.33Å; F11-A57 HydrophobicContact CZ-CB 3.91Å; W53-A57 HydrophobicContact CH2-CB 4.46Å; W53-A57 HydrophobicContact CZ3-CB 4.46Å; W53-A57 VanDerWaalsContact O-CB 3.3Å; W53-A57 WeakPolarHBondContact O-CB 3.35Å; W53-A57 PolarHBondContact O-N 2.87Å; F54-A57 WeakPolarHBondContact O-CB 3.49Å; F54-A57 PolarHBondContact O-N 3.03Å; A57-N60 PolarHBondContact O-N 3.5Å; A57-C61 PolarHBondContact O-N 2.98Å |
| 58 | L | 84.4 | Confident | 82.8 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.1 | -85.8 | 178.2 | 0 | 0 | 0 | 112.5 | I27 F54 L55 N60 C61 V62 I77 I80 L81 L103 | I27-L58 HydrophobicContact CD1-CD2 3.71Å; I27-L58 HydrophobicContact CD1-CG 4.47Å; I27-L58 HydrophobicContact CG2-CD2 4.19Å; I27-L58 HydrophobicContact CG2-CG 4.46Å; F54-L58 HydrophobicContact CD1-CD1 3.81Å; F54-L58 HydrophobicContact CD1-CG 4.38Å; F54-L58 HydrophobicContact CE1-CD1 3.23Å; F54-L58 HydrophobicContact CE1-CG 3.97Å; F54-L58 HydrophobicContact CZ-CD1 3.94Å; F54-L58 HydrophobicContact CZ-CG 4.37Å; F54-L58 PolarHBondContact O-N 3.08Å; L55-L58 PolarHBondContact O-N 2.72Å; L58-N60 VanDerWaalsContact C-N 3.28Å; L58-N60 PolarHBondContact O-N 3Å; L58-C61 WeakPolarHBondContact O-CB 3.01Å; L58-C61 PolarHBondContact O-N 2.89Å; L58-C61 VanDerWaalsContact O-N 3.14Å; L58-V62 WeakPolarHBondContact O-CG2 3.1Å; L58-V62 PolarHBondContact O-N 2.75Å; L58-I77 HydrophobicContact CD2-CG2 4.25Å; L58-I80 HydrophobicContact CD1-CG2 4.21Å; L58-I80 HydrophobicContact CD2-CG2 4.31Å; L58-L81 HydrophobicContact CD1-CD2 3.68Å; L58-L81 HydrophobicContact CD1-CG 4.25Å; L58-L103 HydrophobicContact CB-CD1 4.45Å |
| 59 | K | 85.9 | Confident | 83.2 | Confident | 111 Ų | 111 | 58.4 Ų | 58.4 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.4 | -44 | 175.8 | -175.2 | -175.6 | 176.3 | -172.4 | 0 | 111.1 | L55 F56 V62 V63 L103 | L55-K59 VanDerWaalsContact O-CB 3.29Å; L55-K59 WeakPolarHBondContact O-CB 3.47Å; L55-K59 PolarHBondContact O-N 3.29Å; F56-K59 WeakPolarHBondContact O-CB 3.44Å; F56-K59 PolarHBondContact O-N 2.85Å; K59-V62 PolarHBondContact O-N 2.69Å; K59-V63 VanDerWaalsContact O-CG2 3.3Å; K59-V63 WeakPolarHBondContact O-CG2 3.49Å; K59-V63 PolarHBondContact O-N 3.16Å; K59-L103 HydrophobicContact CB-CD2 4.06Å; K59-L103 HydrophobicContact CG-CD2 4.38Å |
| 60 | N | 83.2 | Confident | 83.6 | Confident | 63 Ų | 63 | 57.1 Ų | 57.1 | 34% | 0.337 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 176.8 | -69.1 | -22.6 | 0 | 0 | 0 | 112.1 | F56 A57 L58 V63 K64 | F56-N60 WeakPolarHBondContact CE1-ND2 3.35Å; F56-N60 PolarHBondContact O-N 3.18Å; F56-N60 PolarHBondContact O-ND2 3.3Å; A57-N60 PolarHBondContact O-N 3.5Å; L58-N60 VanDerWaalsContact C-N 3.28Å; L58-N60 PolarHBondContact O-N 3Å; N60-V63 PolarHBondContact O-N 2.95Å; N60-K64 PolarHBondContact O-N 3.27Å |
| 61 | C | 82.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.1 | -51.6 | 172.9 | -170.1 | 0 | 0 | 0 | 0 | 111.1 | I15 A57 L58 V63 K64 M65 | I15-C61 HydrophobicContact CD1-CB 4.06Å; A57-C61 PolarHBondContact O-N 2.98Å; L58-C61 WeakPolarHBondContact O-CB 3.01Å; L58-C61 PolarHBondContact O-N 2.89Å; L58-C61 VanDerWaalsContact O-N 3.14Å; C61-V63 VanDerWaalsContact C-N 3.29Å; C61-V63 PolarHBondContact O-N 3.01Å; C61-K64 PolarHBondContact O-N 2.78Å; C61-K64 VanDerWaalsContact O-N 3.11Å; C61-M65 WeakPolarHBondContact O-CG 3.42Å; C61-M65 PolarHBondContact O-N 3.1Å |
| 62 | V | 86.6 | Confident | 84.3 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -36.2 | 177.6 | 173.5 | 0 | 0 | 0 | 0 | 112 | L58 K59 I77 L103 Q106 L107 Y110 | L58-V62 WeakPolarHBondContact O-CG2 3.1Å; L58-V62 PolarHBondContact O-N 2.75Å; K59-V62 PolarHBondContact O-N 2.69Å; V62-I77 HydrophobicContact CG2-CD1 3.71Å; V62-I77 HydrophobicContact CG2-CG2 4.04Å; V62-L103 HydrophobicContact CB-CD2 4.46Å; V62-L103 HydrophobicContact CG2-CD2 4.23Å; V62-Q106 HydrophobicContact CG1-CB 4.18Å; V62-Q106 HydrophobicContact CG1-CG 3.7Å; V62-L107 HydrophobicContact CG2-CD2 4.37Å; V62-Y110 HydrophobicContact CG1-CD2 4.43Å; V62-Y110 HydrophobicContact CG1-CE2 3.78Å; V62-Y110 WeakPolarHBondContact O-CE2 3.24Å; V62-Y110 PolarHBondContact O-OH 3.22Å; V62-Y110 VanDerWaalsContact O-OH 3.08Å |
| 63 | V | 84.3 | Confident | 84.4 | Confident | 89 Ų | 89 | 57.4 Ų | 57.4 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 174.8 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | K59 N60 C61 M65 R66 | K59-V63 VanDerWaalsContact O-CG2 3.3Å; K59-V63 WeakPolarHBondContact O-CG2 3.49Å; K59-V63 PolarHBondContact O-N 3.16Å; N60-V63 PolarHBondContact O-N 2.95Å; C61-V63 VanDerWaalsContact C-N 3.29Å; C61-V63 PolarHBondContact O-N 3.01Å; V63-M65 VanDerWaalsContact C-N 3.33Å; V63-M65 PolarHBondContact O-N 3.19Å; V63-R66 WeakPolarHBondContact O-CB 3.36Å; V63-R66 PolarHBondContact O-N 3.39Å |
| 64 | K | 82.8 | Confident | 84.6 | Confident | 70 Ų | 70 | 53.3 Ų | 53.3 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.3 | -29.6 | 178.5 | -73.5 | -152.3 | -180 | -166.4 | 0 | 113.9 | I15 L20 N60 C61 R66 E67 | I15-K64 HydrophobicContact CG2-CD 3.89Å; I15-K64 PolarHBondContact O-NZ 2.84Å; L20-K64 HydrophobicContact CD1-CB 4.44Å; L20-K64 HydrophobicContact CD2-CB 4.09Å; N60-K64 PolarHBondContact O-N 3.27Å; C61-K64 PolarHBondContact O-N 2.78Å; C61-K64 VanDerWaalsContact O-N 3.11Å; K64-R66 PolarHBondContact O-N 3.37Å; K64-E67 PolarHBondContact O-N 3.46Å |
| 65 | M | 84.1 | Confident | 85 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -54.7 | -22 | 175.8 | -76.6 | 179.7 | 70 | 0 | 0 | 114 | L20 C61 V63 E67 N68 L69 L73 I74 I77 Y110 | L20-M65 HydrophobicContact CD1-CG 4.16Å; C61-M65 WeakPolarHBondContact O-CG 3.42Å; C61-M65 PolarHBondContact O-N 3.1Å; V63-M65 VanDerWaalsContact C-N 3.33Å; V63-M65 PolarHBondContact O-N 3.19Å; M65-E67 PolarHBondContact O-N 2.9Å; M65-N68 CarbonylContact O-C 3.5Å; M65-N68 VanDerWaalsContact O-C 3.28Å; M65-N68 PolarHBondContact O-N 3.02Å; M65-L69 HydrophobicContact CB-CD2 4.36Å; M65-L69 WeakPolarHBondContact O-CD2 3.22Å; M65-L69 VanDerWaalsContact O-CG 3.27Å; M65-L69 WeakPolarHBondContact O-CG 3.18Å; M65-L69 PolarHBondContact O-N 3.49Å; M65-L73 HydrophobicContact CE-CB 3.97Å; M65-L73 HydrophobicContact CE-CD2 3.83Å; M65-L73 HydrophobicContact CE-CG 3.6Å; M65-L73 HydrophobicContact CG-CD2 3.71Å; M65-L73 HydrophobicContact CG-CG 4.26Å; M65-L73 HydrophobicContact SD-CD2 4.14Å; M65-L73 HydrophobicContact SD-CG 4.02Å; M65-I74 HydrophobicContact CE-CB 4.27Å; M65-I74 HydrophobicContact CE-CG1 3.44Å; M65-I74 VanDerWaalsContact CE-CG1 3.44Å; M65-I77 HydrophobicContact CE-CD1 4.41Å; M65-I77 HydrophobicContact CG-CD1 4.44Å; M65-I77 HydrophobicContact SD-CD1 3.17Å; M65-I77 WeakPolarHBondContact SD-CD1 3.29Å; M65-I77 HydrophobicContact SD-CG1 4.29Å; M65-Y110 HydrophobicContact CB-CE2 4.27Å |
| 66 | R | 82.3 | Confident | 85 | Confident | 169 Ų | 169 | 58.7 Ų | 58.7 | 64% | 0.638 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -53 | -29.6 | 178.2 | -171.3 | 178 | 177.9 | -176.4 | -0.9 | 112.9 | V63 K64 | V63-R66 WeakPolarHBondContact O-CB 3.36Å; V63-R66 PolarHBondContact O-N 3.39Å; K64-R66 PolarHBondContact O-N 3.37Å |
| 67 | E | 80.4 | Confident | 85.3 | Confident | 157 Ų | 157 | 52.9 Ų | 52.9 | 73% | 0.734 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -82.2 | -23.9 | 180 | -64.9 | 176 | -176.3 | 0 | 0 | 113.4 | K64 M65 | K64-E67 PolarHBondContact O-N 3.46Å; M65-E67 PolarHBondContact O-N 2.9Å |
| 68 | N | 80.5 | Confident | 85.8 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -140.3 | 67.2 | -177.2 | -166 | 5.9 | 0 | 0 | 0 | 111.3 | M65 H70 | M65-N68 CarbonylContact O-C 3.5Å; M65-N68 VanDerWaalsContact O-C 3.28Å; M65-N68 PolarHBondContact O-N 3.02Å; N68-H70 PolarHBondContact O-ND1 2.69Å |
| 69 | L | 85.1 | Confident | 86 | Confident | 46 Ų | 46 | 56.7 Ų | 56.7 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | trans | -81.1 | 115.6 | -176.3 | -73.6 | 169 | 0 | 0 | 0 | 111.7 | M65 I74 Y110 V114 | M65-L69 HydrophobicContact CB-CD2 4.36Å; M65-L69 WeakPolarHBondContact O-CD2 3.22Å; M65-L69 VanDerWaalsContact O-CG 3.27Å; M65-L69 WeakPolarHBondContact O-CG 3.18Å; M65-L69 PolarHBondContact O-N 3.49Å; L69-I74 HydrophobicContact CD2-CD1 4.49Å; L69-Y110 HydrophobicContact CD1-CD1 4.4Å; L69-Y110 HydrophobicContact CD2-CD1 4.05Å; L69-Y110 HydrophobicContact CD2-CD2 3.61Å; L69-Y110 HydrophobicContact CD2-CE1 4.48Å; L69-Y110 HydrophobicContact CD2-CE2 4.09Å; L69-Y110 HydrophobicContact CD2-CG 3.58Å; L69-V114 HydrophobicContact CB-CG2 3.99Å | ||
| 70 | H | 88.5 | Confident | 86.1 | Confident | 49 Ų | 49 | 51.7 Ų | 51.7 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | trans | -142.8 | 152.3 | 167.3 | 59.8 | -79.9 | 0 | 0 | 0 | 109.9 | D21 N68 D72 L73 I74 | D21-H70 IonicContact OD2-CE1 3.01Å; D21-H70 IonicContact OD2-NE2 2.75Å; N68-H70 PolarHBondContact O-ND1 2.69Å; H70-D72 VanDerWaalsContact C-N 3.33Å; H70-D72 PolarHBondContact O-N 3.32Å; H70-L73 WeakPolarHBondContact NE2-CB 3.5Å; H70-L73 PolarHBondContact O-N 3.27Å; H70-I74 WeakPolarHBondContact O-CG1 3.46Å; H70-I74 PolarHBondContact O-N 3.48Å | ||
| 71 | I | 88.5 | Confident | 86.4 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -35.8 | -168.3 | -170.4 | 59.6 | 0 | 0 | 0 | 112.9 | L73 I74 V75 E116 Y119 | I71-L73 PolarHBondContact O-N 2.92Å; I71-I74 HydrophobicContact CD1-CB 4.41Å; I71-I74 WeakPolarHBondContact O-CB 3.37Å; I71-I74 PolarHBondContact O-N 2.91Å; I71-I74 VanDerWaalsContact O-N 3.12Å; I71-V75 HydrophobicContact CD1-CG2 4.07Å; I71-V75 HydrophobicContact CG1-CG2 4.02Å; I71-V75 WeakPolarHBondContact O-CG2 3.38Å; I71-V75 PolarHBondContact O-N 3.3Å; I71-E116 HydrophobicContact CB-CG 4.12Å; I71-E116 HydrophobicContact CD1-CB 3.84Å; I71-E116 HydrophobicContact CD1-CG 3.88Å; I71-E116 HydrophobicContact CG1-CB 4.36Å; I71-E116 HydrophobicContact CG1-CG 3.86Å; I71-Y119 HydrophobicContact CD1-CD2 3.78Å; I71-Y119 HydrophobicContact CD1-CE2 4.32Å; I71-Y119 HydrophobicContact CD1-CG 3.98Å; I71-Y119 HydrophobicContact CG1-CD2 4Å; I71-Y119 HydrophobicContact CG1-CE2 4.06Å |
| 72 | D | 88 | Confident | 86.7 | Confident | 105 Ų | 105 | 49.4 Ų | 49.4 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61 | -43.3 | -177.8 | -58.7 | -39.3 | 0 | 0 | 0 | 111.9 | H70 V75 K76 | H70-D72 VanDerWaalsContact C-N 3.33Å; H70-D72 PolarHBondContact O-N 3.32Å; D72-V75 PolarHBondContact O-N 3.35Å; D72-K76 WeakPolarHBondContact O-CB 3.21Å; D72-K76 VanDerWaalsContact O-CG 3.22Å; D72-K76 WeakPolarHBondContact O-CG 3.45Å; D72-K76 PolarHBondContact O-N 2.97Å |
| 73 | L | 85.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67 | -37.6 | 176.3 | -174.8 | 61.8 | 0 | 0 | 0 | 112.2 | L20 A24 M65 H70 I71 K76 I77 | L20-L73 HydrophobicContact CB-CD2 3.84Å; L20-L73 HydrophobicContact CD1-CD2 4.19Å; A24-L73 HydrophobicContact CB-CD1 4.03Å; M65-L73 HydrophobicContact CE-CB 3.97Å; M65-L73 HydrophobicContact CE-CD2 3.83Å; M65-L73 HydrophobicContact CE-CG 3.6Å; M65-L73 HydrophobicContact CG-CD2 3.71Å; M65-L73 HydrophobicContact CG-CG 4.26Å; M65-L73 HydrophobicContact SD-CD2 4.14Å; M65-L73 HydrophobicContact SD-CG 4.02Å; H70-L73 WeakPolarHBondContact NE2-CB 3.5Å; H70-L73 PolarHBondContact O-N 3.27Å; I71-L73 PolarHBondContact O-N 2.92Å; L73-K76 PolarHBondContact O-N 3.47Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 2.71Å |
| 74 | I | 89.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 176 | -62 | 170.1 | 0 | 0 | 0 | 110.2 | M65 L69 H70 I71 I77 S78 L107 V114 F123 | M65-I74 HydrophobicContact CE-CB 4.27Å; M65-I74 HydrophobicContact CE-CG1 3.44Å; M65-I74 VanDerWaalsContact CE-CG1 3.44Å; L69-I74 HydrophobicContact CD2-CD1 4.49Å; H70-I74 WeakPolarHBondContact O-CG1 3.46Å; H70-I74 PolarHBondContact O-N 3.48Å; I71-I74 HydrophobicContact CD1-CB 4.41Å; I71-I74 WeakPolarHBondContact O-CB 3.37Å; I71-I74 PolarHBondContact O-N 2.91Å; I71-I74 VanDerWaalsContact O-N 3.12Å; I74-I77 PolarHBondContact O-N 2.86Å; I74-S78 PolarHBondContact O-N 3.13Å; I74-S78 VanDerWaalsContact O-N 3.13Å; I74-L107 HydrophobicContact CG2-CB 4.24Å; I74-L107 HydrophobicContact CG2-CD2 3.9Å; I74-V114 HydrophobicContact CD1-CG2 4.1Å; I74-F123 HydrophobicContact CG2-CD2 4.38Å; I74-F123 HydrophobicContact CG2-CE2 3.51Å; I74-F123 HydrophobicContact CG2-CZ 3.94Å |
| 75 | V | 89.7 | Confident | 86.8 | Confident | 32 Ų | 32 | 43.2 Ų | 43.2 | 19% | 0.194 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.7 | -44.7 | 178.1 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | I71 D72 I77 S78 D79 Y119 | I71-V75 HydrophobicContact CD1-CG2 4.07Å; I71-V75 HydrophobicContact CG1-CG2 4.02Å; I71-V75 WeakPolarHBondContact O-CG2 3.38Å; I71-V75 PolarHBondContact O-N 3.3Å; D72-V75 PolarHBondContact O-N 3.35Å; V75-I77 VanDerWaalsContact C-N 3.32Å; V75-I77 PolarHBondContact O-N 3.45Å; V75-S78 CarbonylContact O-C 3.14Å; V75-S78 WeakPolarHBondContact O-CA 3.41Å; V75-S78 VanDerWaalsContact O-CB 3.29Å; V75-S78 WeakPolarHBondContact O-CB 3.49Å; V75-S78 PolarHBondContact O-N 3.02Å; V75-D79 PolarHBondContact O-N 3.26Å; V75-Y119 HydrophobicContact CG2-CD1 4.01Å; V75-Y119 HydrophobicContact CG2-CE1 3.66Å |
| 76 | K | 88.1 | Confident | 86.7 | Confident | 85 Ų | 85 | 50.1 Ų | 50.1 | 37% | 0.37 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -54 | -45.4 | 174.5 | -78.5 | 175.8 | -170.9 | 178.1 | 0 | 112.1 | D21 D72 L73 S78 D79 I80 | D21-K76 IonicContact OD1-NZ 3.86Å; D21-K76 PolarHBondContact OD1-NZ 3.19Å; D72-K76 WeakPolarHBondContact O-CB 3.21Å; D72-K76 VanDerWaalsContact O-CG 3.22Å; D72-K76 WeakPolarHBondContact O-CG 3.45Å; D72-K76 PolarHBondContact O-N 2.97Å; L73-K76 PolarHBondContact O-N 3.47Å; K76-S78 VanDerWaalsContact C-N 3.31Å; K76-S78 PolarHBondContact O-N 3.32Å; K76-D79 PolarHBondContact O-N 3.19Å; K76-I80 VanDerWaalsContact O-CG1 3.28Å; K76-I80 WeakPolarHBondContact O-CG1 3.17Å; K76-I80 PolarHBondContact O-N 2.93Å |
| 77 | I | 89.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 176.6 | -70.1 | -171.6 | 0 | 0 | 0 | 111.4 | L58 V62 M65 L73 I74 V75 D79 I80 L81 L107 | L58-I77 HydrophobicContact CD2-CG2 4.25Å; V62-I77 HydrophobicContact CG2-CD1 3.71Å; V62-I77 HydrophobicContact CG2-CG2 4.04Å; M65-I77 HydrophobicContact CE-CD1 4.41Å; M65-I77 HydrophobicContact CG-CD1 4.44Å; M65-I77 HydrophobicContact SD-CD1 3.17Å; M65-I77 WeakPolarHBondContact SD-CD1 3.29Å; M65-I77 HydrophobicContact SD-CG1 4.29Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 2.71Å; I74-I77 PolarHBondContact O-N 2.86Å; V75-I77 VanDerWaalsContact C-N 3.32Å; V75-I77 PolarHBondContact O-N 3.45Å; I77-D79 VanDerWaalsContact C-N 3.3Å; I77-D79 PolarHBondContact O-N 3.4Å; I77-I80 PolarHBondContact O-N 3.35Å; I77-L81 HydrophobicContact CG2-CD1 4.47Å; I77-L81 WeakPolarHBondContact O-CG 3.37Å; I77-L81 PolarHBondContact O-N 3Å; I77-L107 HydrophobicContact CB-CD2 4.45Å; I77-L107 HydrophobicContact CG2-CD1 4.14Å; I77-L107 HydrophobicContact CG2-CD2 4.2Å |
| 78 | S | 92.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -39.5 | 174.2 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | I74 V75 K76 I80 L81 E82 Y104 R126 | I74-S78 PolarHBondContact O-N 3.13Å; I74-S78 VanDerWaalsContact O-N 3.13Å; V75-S78 CarbonylContact O-C 3.14Å; V75-S78 WeakPolarHBondContact O-CA 3.41Å; V75-S78 VanDerWaalsContact O-CB 3.29Å; V75-S78 WeakPolarHBondContact O-CB 3.49Å; V75-S78 PolarHBondContact O-N 3.02Å; K76-S78 VanDerWaalsContact C-N 3.31Å; K76-S78 PolarHBondContact O-N 3.32Å; S78-I80 VanDerWaalsContact C-N 3.33Å; S78-L81 PolarHBondContact O-N 3.42Å; S78-E82 WeakPolarHBondContact O-CG 3.49Å; S78-E82 PolarHBondContact O-N 2.98Å; S78-Y104 WeakPolarHBondContact OG-CE1 3.49Å; S78-Y104 PolarHBondContact OG-OH 3.49Å; S78-R126 PolarHBondContact OG-NH1 2.93Å |
| 79 | D | 89.6 | Confident | 86.1 | Confident | 89 Ų | 89 | 37.2 Ų | 37.2 | 48% | 0.476 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.5 | -36.2 | 178.7 | -69.2 | -22.7 | 0 | 0 | 0 | 111.7 | V75 K76 I77 E82 A83 | V75-D79 PolarHBondContact O-N 3.26Å; K76-D79 PolarHBondContact O-N 3.19Å; I77-D79 VanDerWaalsContact C-N 3.3Å; I77-D79 PolarHBondContact O-N 3.4Å; D79-E82 PolarHBondContact O-N 3.11Å; D79-A83 WeakPolarHBondContact O-CB 3.43Å; D79-A83 PolarHBondContact O-N 2.85Å |
| 80 | I | 87.9 | Confident | 85.7 | Confident | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | 172.6 | -69.6 | 165 | 0 | 0 | 0 | 110.7 | A24 I27 K28 V31 F54 L58 K76 I77 S78 A83 L84 | A24-I80 HydrophobicContact CB-CD1 4.05Å; A24-I80 VanDerWaalsContact O-CD1 3.22Å; A24-I80 WeakPolarHBondContact O-CD1 3.35Å; I27-I80 HydrophobicContact CB-CD1 4.22Å; I27-I80 HydrophobicContact CG2-CD1 4.18Å; I27-I80 HydrophobicContact CG2-CG2 3.49Å; I27-I80 VanDerWaalsContact CG2-CG2 3.49Å; K28-I80 HydrophobicContact CB-CG1 4.31Å; V31-I80 HydrophobicContact CG2-CG2 4.31Å; F54-I80 HydrophobicContact CE1-CG2 4.14Å; F54-I80 HydrophobicContact CZ-CG2 3.61Å; L58-I80 HydrophobicContact CD1-CG2 4.21Å; L58-I80 HydrophobicContact CD2-CG2 4.31Å; K76-I80 VanDerWaalsContact O-CG1 3.28Å; K76-I80 WeakPolarHBondContact O-CG1 3.17Å; K76-I80 PolarHBondContact O-N 2.93Å; I77-I80 PolarHBondContact O-N 3.35Å; S78-I80 VanDerWaalsContact C-N 3.33Å; I80-A83 PolarHBondContact O-N 3.11Å; I80-L84 WeakPolarHBondContact O-CB 3.38Å; I80-L84 PolarHBondContact O-N 2.79Å |
| 81 | L | 89.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 175.2 | -73.5 | 173.3 | 0 | 0 | 0 | 111.2 | L55 L58 I77 S78 L84 C85 I100 L103 Y104 L107 | L55-L81 HydrophobicContact CD2-CD2 4.12Å; L58-L81 HydrophobicContact CD1-CD2 3.68Å; L58-L81 HydrophobicContact CD1-CG 4.25Å; I77-L81 HydrophobicContact CG2-CD1 4.47Å; I77-L81 WeakPolarHBondContact O-CG 3.37Å; I77-L81 PolarHBondContact O-N 3Å; S78-L81 PolarHBondContact O-N 3.42Å; L81-L84 PolarHBondContact O-N 2.53Å; L81-C85 WeakPolarHBondContact O-CB 3.13Å; L81-C85 PolarHBondContact O-N 3.49Å; L81-C85 PolarHBondContact O-SG 3.11Å; L81-I100 HydrophobicContact CD2-CG1 4.49Å; L81-L103 HydrophobicContact CD1-CB 4.28Å; L81-L103 HydrophobicContact CD2-CD1 4.16Å; L81-Y104 HydrophobicContact CB-CE2 4.44Å; L81-Y104 HydrophobicContact CD1-CD2 4.49Å; L81-Y104 HydrophobicContact CD1-CE1 4.36Å; L81-Y104 HydrophobicContact CD1-CE2 4.06Å; L81-L107 HydrophobicContact CD1-CD1 4.32Å |
| 82 | E | 88.4 | Confident | 84.1 | Confident | 15 Ų | 15 | 39.2 Ų | 39.2 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 173.9 | -77.9 | -86 | -177.3 | 0 | 0 | 111.9 | S78 D79 C85 K86 R126 S170 V171 | S78-E82 WeakPolarHBondContact O-CG 3.49Å; S78-E82 PolarHBondContact O-N 2.98Å; D79-E82 PolarHBondContact O-N 3.11Å; E82-C85 PolarHBondContact O-N 2.89Å; E82-K86 WeakPolarHBondContact O-CG 3.42Å; E82-K86 PolarHBondContact O-N 3.5Å; E82-R126 IonicContact OE1-CZ 3.2Å; E82-R126 IonicContact OE1-NE 2.78Å; E82-R126 IonicContact OE1-NH2 3.69Å; E82-S170 WeakPolarHBondContact OE1-CA 3.19Å; E82-S170 WeakPolarHBondContact OE1-CB 3.42Å; E82-S170 PolarHBondContact OE1-OG 3.1Å; E82-V171 WeakPolarHBondContact OE2-CB 3.48Å; E82-V171 WeakPolarHBondContact OE2-CG2 3.42Å; E82-V171 PolarHBondContact OE2-N 3.17Å |
| 83 | A | 85.4 | Confident | 83.7 | Confident | 27 Ų | 27 | 35.5 Ų | 35.5 | 22% | 0.223 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D79 I80 K86 K87 | D79-A83 WeakPolarHBondContact O-CB 3.43Å; D79-A83 PolarHBondContact O-N 2.85Å; I80-A83 PolarHBondContact O-N 3.11Å; A83-K86 WeakPolarHBondContact O-CB 3.39Å; A83-K86 PolarHBondContact O-N 3.03Å; A83-K87 PolarHBondContact O-N 3.05Å |
| 84 | L | 85.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 174.2 | -175 | 74.7 | 0 | 0 | 0 | 111.2 | V31 F35 L51 F54 L55 I80 L81 K86 K87 C88 | V31-L84 HydrophobicContact CG1-CB 4.47Å; V31-L84 HydrophobicContact CG1-CD1 4.22Å; V31-L84 HydrophobicContact CG2-CD1 4.26Å; F35-L84 HydrophobicContact CD2-CD1 3.85Å; F35-L84 HydrophobicContact CE2-CD1 3.64Å; F35-L84 HydrophobicContact CZ-CD1 4.19Å; L51-L84 HydrophobicContact CD2-CD1 3.81Å; L51-L84 HydrophobicContact CD2-CD2 3.94Å; L51-L84 HydrophobicContact CD2-CG 4.09Å; F54-L84 HydrophobicContact CD1-CD1 4.24Å; F54-L84 HydrophobicContact CD1-CD2 3.76Å; F54-L84 HydrophobicContact CE1-CB 4.46Å; F54-L84 HydrophobicContact CE1-CD1 4.17Å; F54-L84 HydrophobicContact CE1-CD2 3.77Å; F54-L84 HydrophobicContact CE1-CG 4.36Å; L55-L84 HydrophobicContact CD2-CD2 4.26Å; I80-L84 WeakPolarHBondContact O-CB 3.38Å; I80-L84 PolarHBondContact O-N 2.79Å; L81-L84 PolarHBondContact O-N 2.53Å; L84-K86 VanDerWaalsContact C-N 3.26Å; L84-K86 PolarHBondContact O-N 3.27Å; L84-K87 PolarHBondContact O-N 3.07Å; L84-C88 PolarHBondContact O-N 3.33Å |
| 85 | C | 84.6 | Confident | 82.9 | Confident | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.1 | -23.9 | 178.9 | -63.5 | 0 | 0 | 0 | 0 | 113.3 | L81 E82 L172 W175 | L81-C85 WeakPolarHBondContact O-CB 3.13Å; L81-C85 PolarHBondContact O-N 3.49Å; L81-C85 PolarHBondContact O-SG 3.11Å; E82-C85 PolarHBondContact O-N 2.89Å; C85-L172 HydrophobicContact CB-CD2 4.3Å; C85-W175 HydrophobicContact CB-CH2 3.61Å; C85-W175 HydrophobicContact CB-CZ2 3.52Å; C85-W175 WeakPolarHBondContact SG-CH2 3.3Å |
| 86 | K | 82.6 | Confident | 82.7 | Confident | 146 Ų | 146 | 47.6 Ų | 47.6 | 64% | 0.635 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -72.6 | -38.4 | 171.2 | -79.7 | 176.1 | -175.1 | -179.7 | 0 | 112.3 | E82 A83 L84 V171 | E82-K86 WeakPolarHBondContact O-CG 3.42Å; E82-K86 PolarHBondContact O-N 3.5Å; A83-K86 WeakPolarHBondContact O-CB 3.39Å; A83-K86 PolarHBondContact O-N 3.03Å; L84-K86 VanDerWaalsContact C-N 3.26Å; L84-K86 PolarHBondContact O-N 3.27Å; K86-V171 HydrophobicContact CD-CG2 3.84Å; K86-V171 HydrophobicContact CG-CB 4.09Å; K86-V171 HydrophobicContact CG-CG1 4Å; K86-V171 HydrophobicContact CG-CG2 3.26Å |
| 87 | K | 79.7 | Confident | 82.7 | Confident | 56 Ų | 56 | 44.9 Ų | 44.9 | 24% | 0.243 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -82.5 | -37.5 | -176 | -71.3 | -164.4 | 172.7 | -171.6 | 0 | 112.8 | V31 D32 F35 A83 L84 | V31-K87 HydrophobicContact CG1-CD 4.08Å; D32-K87 VanDerWaalsContact CA-NZ 3.34Å; D32-K87 WeakPolarHBondContact OD1-CE 3.19Å; D32-K87 IonicContact OD1-NZ 2.63Å; D32-K87 PolarHBondContact OD1-NZ 3.3Å; F35-K87 HydrophobicContact CB-CB 4.29Å; F35-K87 HydrophobicContact CB-CD 4.4Å; A83-K87 PolarHBondContact O-N 3.05Å; L84-K87 PolarHBondContact O-N 3.07Å |
| 88 | C | 76.6 | Confident | 82.6 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -108.3 | 125.4 | -179.2 | -63.2 | 0 | 0 | 0 | 0 | 109.9 | F35 L84 L90 | F35-C88 WeakPolarHBondContact CD1-SG 3.34Å; L84-C88 PolarHBondContact O-N 3.33Å; C88-L90 HydrophobicContact CB-CD2 3.85Å; C88-L90 HydrophobicContact CB-CG 4.02Å; C88-L90 PolarHBondContact O-N 3.5Å |
| 89 | D | 73.3 | Confident | 82.4 | Confident | 86 Ų | 86 | 49.7 Ų | 49.7 | 46% | 0.46 | 26% | 0.261 | S | S | . | . | trans | -73.7 | 97 | 166.4 | -174.2 | 1.4 | 0 | 0 | 0 | 109.4 | S91 | D89-S91 VanDerWaalsContact C-N 3.32Å; D89-S91 WeakPolarHBondContact OD1-CB 3.3Å; D89-S91 PolarHBondContact OD1-N 2.83Å; D89-S91 PolarHBondContact OD1-OG 3.33Å; D89-S91 PolarHBondContact OD2-OG 3.45Å | ||
| 90 | L | 77.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -92.8 | 10.7 | 179.8 | -58.1 | 177.8 | 0 | 0 | 0 | 112.4 | I43 L51 C88 V92 E93 I96 R97 I100 W175 | I43-L90 HydrophobicContact CD1-CD2 3.69Å; L51-L90 HydrophobicContact CD1-CD2 3.75Å; L51-L90 HydrophobicContact CD2-CD2 4.3Å; C88-L90 HydrophobicContact CB-CD2 3.85Å; C88-L90 HydrophobicContact CB-CG 4.02Å; C88-L90 PolarHBondContact O-N 3.5Å; L90-V92 PolarHBondContact O-N 3.39Å; L90-V92 VanDerWaalsContact O-N 3.11Å; L90-E93 PolarHBondContact O-N 2.92Å; L90-E93 VanDerWaalsContact O-N 3.08Å; L90-I96 HydrophobicContact CD1-CG2 3.94Å; L90-I96 HydrophobicContact CD2-CG2 4.19Å; L90-R97 VanDerWaalsContact O-CD 3.23Å; L90-R97 WeakPolarHBondContact O-CD 3.37Å; L90-R97 WeakPolarHBondContact O-CG 3.37Å; L90-I100 HydrophobicContact CD1-CD1 3.6Å; L90-W175 HydrophobicContact CB-CH2 3.78Å; L90-W175 HydrophobicContact CB-CZ2 3.96Å; L90-W175 HydrophobicContact CB-CZ3 4.45Å; L90-W175 HydrophobicContact CD1-CH2 4.06Å; L90-W175 HydrophobicContact CG-CH2 4.32Å; L90-W175 HydrophobicContact CG-CZ2 4.47Å | ||
| 91 | S | 70.7 | Confident | 82.9 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -37.8 | -173.5 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | D89 R97 | D89-S91 VanDerWaalsContact C-N 3.32Å; D89-S91 WeakPolarHBondContact OD1-CB 3.3Å; D89-S91 PolarHBondContact OD1-N 2.83Å; D89-S91 PolarHBondContact OD1-OG 3.33Å; D89-S91 PolarHBondContact OD2-OG 3.45Å; S91-R97 PolarHBondContact O-NH1 3.3Å |
| 92 | V | 72 | Confident | 83.1 | Confident | 123 Ų | 123 | 51.6 Ų | 51.6 | 75% | 0.745 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -15.7 | -176.8 | -162.3 | 0 | 0 | 0 | 0 | 113.6 | L90 K94 | L90-V92 PolarHBondContact O-N 3.39Å; L90-V92 VanDerWaalsContact O-N 3.11Å; V92-K94 PolarHBondContact O-N 3.31Å; V92-K94 VanDerWaalsContact O-N 3.16Å |
| 93 | E | 79.5 | Confident | 83.4 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | trans | -88.7 | 81.8 | -172.9 | -67 | -71.1 | 141.3 | 0 | 0 | 113 | I43 R48 L90 D95 I96 R97 | I43-E93 HydrophobicContact CD1-CG 3.39Å; R48-E93 IonicContact CZ-OE1 3.27Å; R48-E93 IonicContact CZ-OE2 2.75Å; R48-E93 IonicContact NE-OE1 2.85Å; R48-E93 IonicContact NE-OE2 3.7Å; R48-E93 PolarHBondContact NE-OE2 3.38Å; R48-E93 IonicContact NH2-OE1 3.71Å; R48-E93 PolarHBondContact NH2-OE1 2.92Å; R48-E93 IonicContact NH2-OE2 2.67Å; R48-E93 PolarHBondContact NH2-OE2 2.93Å; R48-E93 VanDerWaalsContact NH2-OE2 3.14Å; L90-E93 PolarHBondContact O-N 2.92Å; L90-E93 VanDerWaalsContact O-N 3.08Å; E93-D95 PolarHBondContact O-N 2.86Å; E93-I96 HydrophobicContact CB-CB 3.93Å; E93-I96 HydrophobicContact CB-CD1 3.92Å; E93-I96 HydrophobicContact CB-CG1 4.05Å; E93-I96 HydrophobicContact CG-CD1 4Å; E93-I96 PolarHBondContact O-N 3.46Å; E93-R97 WeakPolarHBondContact O-CB 3.41Å; E93-R97 WeakPolarHBondContact O-CG 3.45Å; E93-R97 PolarHBondContact O-N 3.34Å | ||
| 94 | K | 77.6 | Confident | 83.9 | Confident | 152 Ų | 152 | 50 Ų | 50 | 66% | 0.661 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -55.5 | -42.8 | -175.6 | -68.8 | -176.5 | -179.6 | 177.8 | 0 | 114.6 | V92 R97 T98 | V92-K94 PolarHBondContact O-N 3.31Å; V92-K94 VanDerWaalsContact O-N 3.16Å; K94-R97 PolarHBondContact O-N 3.39Å; K94-T98 WeakPolarHBondContact O-CB 3.29Å; K94-T98 PolarHBondContact O-N 3.38Å; K94-T98 PolarHBondContact O-OG1 3.13Å |
| 95 | D | 81.2 | Confident | 84.4 | Confident | 133 Ų | 133 | 51.4 Ų | 51.4 | 71% | 0.711 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -70.3 | -40.1 | -176.3 | -65.8 | -25.9 | 0 | 0 | 0 | 112.2 | E93 T98 T99 | E93-D95 PolarHBondContact O-N 2.86Å; D95-T98 PolarHBondContact O-N 2.95Å; D95-T99 PolarHBondContact O-N 2.66Å; D95-T99 PolarHBondContact O-OG1 3.41Å |
| 96 | I | 85.8 | Confident | 84.8 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -47.7 | 176.5 | -59.1 | -174.3 | 0 | 0 | 0 | 109.3 | R48 L51 L55 L90 E93 T98 T99 I100 | R48-I96 HydrophobicContact CG-CD1 4.33Å; L51-I96 HydrophobicContact CB-CD1 4.11Å; L51-I96 HydrophobicContact CD1-CD1 3.98Å; L55-I96 HydrophobicContact CD1-CB 4.38Å; L55-I96 HydrophobicContact CD1-CG2 3.51Å; L90-I96 HydrophobicContact CD1-CG2 3.94Å; L90-I96 HydrophobicContact CD2-CG2 4.19Å; E93-I96 HydrophobicContact CB-CB 3.93Å; E93-I96 HydrophobicContact CB-CD1 3.92Å; E93-I96 HydrophobicContact CB-CG1 4.05Å; E93-I96 HydrophobicContact CG-CD1 4Å; E93-I96 PolarHBondContact O-N 3.46Å; I96-T98 VanDerWaalsContact C-N 3.32Å; I96-T98 PolarHBondContact O-N 2.91Å; I96-T99 WeakPolarHBondContact O-CB 3.27Å; I96-T99 PolarHBondContact O-N 3.32Å; I96-T99 VanDerWaalsContact O-N 3.1Å; I96-I100 HydrophobicContact CG2-CD1 4.08Å; I96-I100 WeakPolarHBondContact O-CG1 3.18Å; I96-I100 PolarHBondContact O-N 3.09Å |
| 97 | R | 87.7 | Confident | 85.4 | Confident | 28 Ų | 28 | 47.7 Ų | 47.7 | 11% | 0.106 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.1 | -42.6 | 174.8 | -80 | -174.1 | 71.3 | 168.5 | 7.9 | 112.8 | L90 S91 E93 K94 T99 I100 S101 L129 A130 W175 N176 | L90-R97 VanDerWaalsContact O-CD 3.23Å; L90-R97 WeakPolarHBondContact O-CD 3.37Å; L90-R97 WeakPolarHBondContact O-CG 3.37Å; S91-R97 PolarHBondContact O-NH1 3.3Å; E93-R97 WeakPolarHBondContact O-CB 3.41Å; E93-R97 WeakPolarHBondContact O-CG 3.45Å; E93-R97 PolarHBondContact O-N 3.34Å; K94-R97 PolarHBondContact O-N 3.39Å; R97-T99 VanDerWaalsContact C-N 3.32Å; R97-T99 PolarHBondContact O-N 3.07Å; R97-I100 PolarHBondContact O-N 3.12Å; R97-S101 WeakPolarHBondContact O-CB 3.22Å; R97-S101 PolarHBondContact O-N 3.31Å; R97-L129 PolarHBondContact NH2-O 2.9Å; R97-L129 VanDerWaalsContact NH2-O 3.16Å; R97-A130 VanDerWaalsContact CB-O 3.28Å; R97-A130 WeakPolarHBondContact CB-O 3.46Å; R97-A130 PolarHBondContact NE-O 2.93Å; R97-W175 HydrophobicContact CG-CZ3 4.24Å; R97-N176 PolarHBondContact NH2-OD1 2.88Å |
| 98 | T | 86.7 | Confident | 86.1 | Confident | 54 Ų | 54 | 45 Ų | 45 | 33% | 0.331 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.7 | -39 | 176.2 | -59 | 0 | 0 | 0 | 0 | 111.5 | K94 D95 I96 S101 K102 | K94-T98 WeakPolarHBondContact O-CB 3.29Å; K94-T98 PolarHBondContact O-N 3.38Å; K94-T98 PolarHBondContact O-OG1 3.13Å; D95-T98 PolarHBondContact O-N 2.95Å; I96-T98 VanDerWaalsContact C-N 3.32Å; I96-T98 PolarHBondContact O-N 2.91Å; T98-S101 WeakPolarHBondContact O-CB 3.24Å; T98-S101 PolarHBondContact O-N 3.39Å; T98-K102 WeakPolarHBondContact O-CG 3.46Å; T98-K102 PolarHBondContact O-N 3.39Å |
| 99 | T | 89.9 | Confident | 86.8 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 31% | 0.307 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | L55 D95 I96 R97 S101 K102 L103 | L55-T99 HydrophobicContact CB-CG2 4.11Å; L55-T99 HydrophobicContact CD1-CG2 4.05Å; D95-T99 PolarHBondContact O-N 2.66Å; D95-T99 PolarHBondContact O-OG1 3.41Å; I96-T99 WeakPolarHBondContact O-CB 3.27Å; I96-T99 PolarHBondContact O-N 3.32Å; I96-T99 VanDerWaalsContact O-N 3.1Å; R97-T99 VanDerWaalsContact C-N 3.32Å; R97-T99 PolarHBondContact O-N 3.07Å; T99-S101 VanDerWaalsContact C-N 3.33Å; T99-S101 PolarHBondContact O-N 3.16Å; T99-K102 PolarHBondContact O-N 3.41Å; T99-L103 WeakPolarHBondContact O-CG 3.28Å; T99-L103 PolarHBondContact O-N 3.5Å |
| 100 | I | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 174.4 | -65.5 | 167.1 | 0 | 0 | 0 | 110.7 | L55 L81 L90 I96 R97 K102 L103 Y104 A130 | L55-I100 HydrophobicContact CD1-CG1 4.16Å; L55-I100 HydrophobicContact CD2-CG1 3.82Å; L81-I100 HydrophobicContact CD2-CG1 4.49Å; L90-I100 HydrophobicContact CD1-CD1 3.6Å; I96-I100 HydrophobicContact CG2-CD1 4.08Å; I96-I100 WeakPolarHBondContact O-CG1 3.18Å; I96-I100 PolarHBondContact O-N 3.09Å; R97-I100 PolarHBondContact O-N 3.12Å; I100-K102 PolarHBondContact O-N 2.91Å; I100-L103 WeakPolarHBondContact O-CB 3.41Å; I100-L103 PolarHBondContact O-N 3.1Å; I100-Y104 HydrophobicContact CG2-CD2 3.77Å; I100-Y104 HydrophobicContact CG2-CE2 3.64Å; I100-Y104 WeakPolarHBondContact O-CD2 3.49Å; I100-Y104 PolarHBondContact O-N 2.95Å; I100-A130 HydrophobicContact CB-CB 4.36Å; I100-A130 HydrophobicContact CG2-CB 3.85Å |
| 101 | S | 94.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | R97 T98 T99 L103 Y104 Q105 A127 | R97-S101 WeakPolarHBondContact O-CB 3.22Å; R97-S101 PolarHBondContact O-N 3.31Å; T98-S101 WeakPolarHBondContact O-CB 3.24Å; T98-S101 PolarHBondContact O-N 3.39Å; T99-S101 VanDerWaalsContact C-N 3.33Å; T99-S101 PolarHBondContact O-N 3.16Å; S101-L103 VanDerWaalsContact C-N 3.32Å; S101-L103 PolarHBondContact O-N 3.44Å; S101-Y104 PolarHBondContact O-N 3.39Å; S101-Q105 WeakPolarHBondContact O-CG 3.49Å; S101-Q105 PolarHBondContact O-N 2.85Å; S101-Q105 PolarHBondContact OG-NE2 3.46Å; S101-A127 WeakPolarHBondContact CB-O 3.37Å; S101-A127 PolarHBondContact OG-O 2.75Å |
| 102 | K | 93.6 | Very high | 89.2 | Confident | 134 Ų | 134 | 42.1 Ų | 42.1 | 58% | 0.583 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -62 | -37.5 | 176.8 | -73.2 | 176.7 | 179.9 | 176.4 | 0 | 112.5 | T98 T99 I100 Q105 Q106 | T98-K102 WeakPolarHBondContact O-CG 3.46Å; T98-K102 PolarHBondContact O-N 3.39Å; T99-K102 PolarHBondContact O-N 3.41Å; I100-K102 PolarHBondContact O-N 2.91Å; K102-Q105 PolarHBondContact O-N 3.48Å; K102-Q106 PolarHBondContact O-N 3.15Å; K102-Q106 VanDerWaalsContact O-N 3.08Å |
| 103 | L | 94.5 | Very high | 90 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 173.5 | -69.9 | 172.4 | 0 | 0 | 0 | 111.1 | L55 L58 K59 V62 L81 T99 I100 S101 Q105 Q106 L107 | L55-L103 HydrophobicContact CD2-CD1 4.12Å; L58-L103 HydrophobicContact CB-CD1 4.45Å; K59-L103 HydrophobicContact CB-CD2 4.06Å; K59-L103 HydrophobicContact CG-CD2 4.38Å; V62-L103 HydrophobicContact CB-CD2 4.46Å; V62-L103 HydrophobicContact CG2-CD2 4.23Å; L81-L103 HydrophobicContact CD1-CB 4.28Å; L81-L103 HydrophobicContact CD2-CD1 4.16Å; T99-L103 WeakPolarHBondContact O-CG 3.28Å; T99-L103 PolarHBondContact O-N 3.5Å; I100-L103 WeakPolarHBondContact O-CB 3.41Å; I100-L103 PolarHBondContact O-N 3.1Å; S101-L103 VanDerWaalsContact C-N 3.32Å; S101-L103 PolarHBondContact O-N 3.44Å; L103-Q105 PolarHBondContact O-N 3.01Å; L103-Q106 WeakPolarHBondContact O-CB 3.15Å; L103-Q106 PolarHBondContact O-N 2.92Å; L103-Q106 VanDerWaalsContact O-N 3.11Å; L103-L107 WeakPolarHBondContact O-CG 3.49Å; L103-L107 PolarHBondContact O-N 2.91Å |
| 104 | Y | 96.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -37.2 | 175.4 | -83 | -62.2 | 0 | 0 | 0 | 113.6 | S78 L81 I100 S101 Q106 L107 C108 F123 R126 A130 L172 | S78-Y104 WeakPolarHBondContact OG-CE1 3.49Å; S78-Y104 PolarHBondContact OG-OH 3.49Å; L81-Y104 HydrophobicContact CB-CE2 4.44Å; L81-Y104 HydrophobicContact CD1-CD2 4.49Å; L81-Y104 HydrophobicContact CD1-CE1 4.36Å; L81-Y104 HydrophobicContact CD1-CE2 4.06Å; I100-Y104 HydrophobicContact CG2-CD2 3.77Å; I100-Y104 HydrophobicContact CG2-CE2 3.64Å; I100-Y104 WeakPolarHBondContact O-CD2 3.49Å; I100-Y104 PolarHBondContact O-N 2.95Å; S101-Y104 PolarHBondContact O-N 3.39Å; Y104-Q106 VanDerWaalsContact C-N 3.26Å; Y104-Q106 PolarHBondContact O-N 3.47Å; Y104-L107 HydrophobicContact CD1-CD1 4.07Å; Y104-L107 HydrophobicContact CE1-CD1 4.3Å; Y104-L107 PolarHBondContact O-N 3.04Å; Y104-C108 WeakPolarHBondContact O-CB 3.47Å; Y104-C108 PolarHBondContact O-N 3.39Å; Y104-F123 HydrophobicContact CD1-CD1 4.05Å; Y104-F123 HydrophobicContact CE1-CD1 4.18Å; Y104-R126 HydrophobicContact CD1-CB 3.69Å; Y104-R126 HydrophobicContact CD2-CB 4.06Å; Y104-R126 HydrophobicContact CE1-CB 3.82Å; Y104-R126 VanDerWaalsContact CE1-CD 3.46Å; Y104-R126 HydrophobicContact CE1-CG 4.26Å; Y104-R126 HydrophobicContact CE2-CB 4.17Å; Y104-R126 HydrophobicContact CG-CB 3.82Å; Y104-A130 HydrophobicContact CD2-CB 4.25Å; Y104-L172 HydrophobicContact CD2-CD1 4.43Å; Y104-L172 HydrophobicContact CE2-CD1 3.74Å |
| 105 | Q | 96 | Very high | 90.7 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 14% | 0.136 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.1 | -40.7 | 172.3 | -69.5 | 174.9 | 57.7 | 0 | 0 | 110.8 | S101 K102 L103 C108 V109 A127 C135 S137 A138 L141 | S101-Q105 WeakPolarHBondContact O-CG 3.49Å; S101-Q105 PolarHBondContact O-N 2.85Å; S101-Q105 PolarHBondContact OG-NE2 3.46Å; K102-Q105 PolarHBondContact O-N 3.48Å; L103-Q105 PolarHBondContact O-N 3.01Å; Q105-C108 WeakPolarHBondContact O-CB 3.34Å; Q105-C108 PolarHBondContact O-N 2.97Å; Q105-V109 WeakPolarHBondContact O-CG2 3.4Å; Q105-V109 PolarHBondContact O-N 3.24Å; Q105-V109 VanDerWaalsContact O-N 3.15Å; Q105-A127 HydrophobicContact CG-CB 3.66Å; Q105-C135 PolarHBondContact NE2-SG 3.05Å; Q105-S137 PolarHBondContact NE2-OG 3.36Å; Q105-S137 PolarHBondContact OE1-OG 3Å; Q105-A138 HydrophobicContact CG-CB 4.44Å; Q105-L141 HydrophobicContact CB-CD2 3.99Å; Q105-L141 HydrophobicContact CG-CD2 4.03Å |
| 106 | Q | 93.9 | Very high | 90.9 | Very high | 73 Ų | 73 | 39.3 Ų | 39.3 | 34% | 0.341 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.5 | -43.2 | 176.5 | -166.1 | 64.8 | 19.3 | 0 | 0 | 112.5 | V62 K102 L103 Y104 C108 V109 Y110 | V62-Q106 HydrophobicContact CG1-CB 4.18Å; V62-Q106 HydrophobicContact CG1-CG 3.7Å; K102-Q106 PolarHBondContact O-N 3.15Å; K102-Q106 VanDerWaalsContact O-N 3.08Å; L103-Q106 WeakPolarHBondContact O-CB 3.15Å; L103-Q106 PolarHBondContact O-N 2.92Å; L103-Q106 VanDerWaalsContact O-N 3.11Å; Y104-Q106 VanDerWaalsContact C-N 3.26Å; Y104-Q106 PolarHBondContact O-N 3.47Å; Q106-C108 VanDerWaalsContact C-N 3.28Å; Q106-C108 PolarHBondContact O-N 3.46Å; Q106-V109 WeakPolarHBondContact O-CB 3.45Å; Q106-V109 PolarHBondContact O-N 3.29Å; Q106-V109 VanDerWaalsContact O-N 3.13Å; Q106-Y110 HydrophobicContact CG-CD2 4.49Å; Q106-Y110 HydrophobicContact CG-CE1 4.3Å; Q106-Y110 HydrophobicContact CG-CE2 4.03Å; Q106-Y110 VanDerWaalsContact NE2-CZ 3.29Å; Q106-Y110 PolarHBondContact NE2-OH 3.03Å; Q106-Y110 PolarHBondContact O-N 3.46Å |
| 107 | L | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -37.8 | 175.2 | -65.4 | 174.7 | 0 | 0 | 0 | 111.6 | V62 I74 I77 L81 L103 Y104 Y110 A111 F123 | V62-L107 HydrophobicContact CG2-CD2 4.37Å; I74-L107 HydrophobicContact CG2-CB 4.24Å; I74-L107 HydrophobicContact CG2-CD2 3.9Å; I77-L107 HydrophobicContact CB-CD2 4.45Å; I77-L107 HydrophobicContact CG2-CD1 4.14Å; I77-L107 HydrophobicContact CG2-CD2 4.2Å; L81-L107 HydrophobicContact CD1-CD1 4.32Å; L103-L107 WeakPolarHBondContact O-CG 3.49Å; L103-L107 PolarHBondContact O-N 2.91Å; Y104-L107 HydrophobicContact CD1-CD1 4.07Å; Y104-L107 HydrophobicContact CE1-CD1 4.3Å; Y104-L107 PolarHBondContact O-N 3.04Å; L107-Y110 PolarHBondContact O-N 2.77Å; L107-A111 WeakPolarHBondContact O-CB 3.42Å; L107-A111 PolarHBondContact O-N 2.74Å; L107-F123 HydrophobicContact CB-CD2 4.07Å; L107-F123 HydrophobicContact CB-CE2 4.47Å; L107-F123 HydrophobicContact CB-CG 4.19Å |
| 108 | C | 94.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.8 | -46.8 | 172 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | Y104 Q105 Q106 Y110 S112 S120 F123 L141 | Y104-C108 WeakPolarHBondContact O-CB 3.47Å; Y104-C108 PolarHBondContact O-N 3.39Å; Q105-C108 WeakPolarHBondContact O-CB 3.34Å; Q105-C108 PolarHBondContact O-N 2.97Å; Q106-C108 VanDerWaalsContact C-N 3.28Å; Q106-C108 PolarHBondContact O-N 3.46Å; C108-Y110 VanDerWaalsContact C-N 3.31Å; C108-Y110 PolarHBondContact O-N 2.96Å; C108-S112 PolarHBondContact O-N 3.09Å; C108-S112 PolarHBondContact O-OG 3.49Å; C108-S120 PolarHBondContact O-OG 3.35Å; C108-S120 PolarHBondContact SG-O 3.17Å; C108-S120 PolarHBondContact SG-OG 3.41Å; C108-S120 VanDerWaalsContact SG-OG 3.39Å; C108-F123 HydrophobicContact CB-CB 3.76Å; C108-L141 HydrophobicContact CB-CD2 3.93Å |
| 109 | V | 92.4 | Very high | 90.7 | Very high | 41 Ų | 41 | 46 Ų | 46 | 25% | 0.248 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 176.4 | 172.9 | 0 | 0 | 0 | 0 | 111 | Q105 Q106 S112 R113 | Q105-V109 WeakPolarHBondContact O-CG2 3.4Å; Q105-V109 PolarHBondContact O-N 3.24Å; Q105-V109 VanDerWaalsContact O-N 3.15Å; Q106-V109 WeakPolarHBondContact O-CB 3.45Å; Q106-V109 PolarHBondContact O-N 3.29Å; Q106-V109 VanDerWaalsContact O-N 3.13Å; V109-S112 WeakPolarHBondContact O-CB 3.04Å; V109-S112 PolarHBondContact O-N 3.17Å; V109-R113 PolarHBondContact O-N 2.92Å; V109-R113 VanDerWaalsContact O-N 3.14Å |
| 110 | Y | 93.4 | Very high | 90.7 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70 | -45.4 | 178.4 | -71.2 | -9.9 | 0 | 0 | 0 | 113.5 | V62 M65 L69 Q106 L107 C108 S112 R113 V114 | V62-Y110 HydrophobicContact CG1-CD2 4.43Å; V62-Y110 HydrophobicContact CG1-CE2 3.78Å; V62-Y110 WeakPolarHBondContact O-CE2 3.24Å; V62-Y110 PolarHBondContact O-OH 3.22Å; V62-Y110 VanDerWaalsContact O-OH 3.08Å; M65-Y110 HydrophobicContact CB-CE2 4.27Å; L69-Y110 HydrophobicContact CD1-CD1 4.4Å; L69-Y110 HydrophobicContact CD2-CD1 4.05Å; L69-Y110 HydrophobicContact CD2-CD2 3.61Å; L69-Y110 HydrophobicContact CD2-CE1 4.48Å; L69-Y110 HydrophobicContact CD2-CE2 4.09Å; L69-Y110 HydrophobicContact CD2-CG 3.58Å; Q106-Y110 HydrophobicContact CG-CD2 4.49Å; Q106-Y110 HydrophobicContact CG-CE1 4.3Å; Q106-Y110 HydrophobicContact CG-CE2 4.03Å; Q106-Y110 VanDerWaalsContact NE2-CZ 3.29Å; Q106-Y110 PolarHBondContact NE2-OH 3.03Å; Q106-Y110 PolarHBondContact O-N 3.46Å; L107-Y110 PolarHBondContact O-N 2.77Å; C108-Y110 VanDerWaalsContact C-N 3.31Å; C108-Y110 PolarHBondContact O-N 2.96Å; Y110-S112 PolarHBondContact O-N 3.42Å; Y110-R113 WeakPolarHBondContact O-CA 3.47Å; Y110-R113 WeakPolarHBondContact O-CB 3.43Å; Y110-R113 PolarHBondContact O-N 3.35Å; Y110-V114 WeakPolarHBondContact O-CG2 3.3Å; Y110-V114 PolarHBondContact O-N 3.19Å; Y110-V114 VanDerWaalsContact O-N 3.1Å |
| 111 | A | 89.8 | Confident | 90.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.7 | -38.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L107 R113 V114 N115 E116 F123 | L107-A111 WeakPolarHBondContact O-CB 3.42Å; L107-A111 PolarHBondContact O-N 2.74Å; A111-R113 VanDerWaalsContact C-N 3.32Å; A111-R113 PolarHBondContact O-N 3.1Å; A111-V114 PolarHBondContact O-N 2.94Å; A111-N115 PolarHBondContact O-N 2.62Å; A111-E116 PolarHBondContact O-N 2.67Å; A111-F123 HydrophobicContact CB-CD2 3.81Å; A111-F123 HydrophobicContact CB-CE2 3.88Å |
| 112 | S | 87.9 | Confident | 90.3 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -36 | 173.8 | -50.8 | 0 | 0 | 0 | 0 | 113 | C108 V109 Y110 N115 S120 | C108-S112 PolarHBondContact O-N 3.09Å; C108-S112 PolarHBondContact O-OG 3.49Å; V109-S112 WeakPolarHBondContact O-CB 3.04Å; V109-S112 PolarHBondContact O-N 3.17Å; Y110-S112 PolarHBondContact O-N 3.42Å; S112-N115 PolarHBondContact O-N 3.26Å; S112-S120 WeakPolarHBondContact OG-CB 3.37Å; S112-S120 PolarHBondContact OG-OG 2.87Å |
| 113 | R | 87.8 | Confident | 90.3 | Very high | 136 Ų | 136 | 39.5 Ų | 39.5 | 51% | 0.513 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -72.4 | -28.2 | 178.3 | -75.3 | -177.7 | 176.7 | 173.1 | 0.3 | 113.2 | V109 Y110 A111 | V109-R113 PolarHBondContact O-N 2.92Å; V109-R113 VanDerWaalsContact O-N 3.14Å; Y110-R113 WeakPolarHBondContact O-CA 3.47Å; Y110-R113 WeakPolarHBondContact O-CB 3.43Å; Y110-R113 PolarHBondContact O-N 3.35Å; A111-R113 VanDerWaalsContact C-N 3.32Å; A111-R113 PolarHBondContact O-N 3.1Å |
| 114 | V | 88.1 | Confident | 90.3 | Very high | 49 Ų | 49 | 39.1 Ų | 39.1 | 30% | 0.297 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 11.9 | 175.3 | -163.4 | 0 | 0 | 0 | 0 | 111.1 | L69 I74 Y110 A111 E116 | L69-V114 HydrophobicContact CB-CG2 3.99Å; I74-V114 HydrophobicContact CD1-CG2 4.1Å; Y110-V114 WeakPolarHBondContact O-CG2 3.3Å; Y110-V114 PolarHBondContact O-N 3.19Å; Y110-V114 VanDerWaalsContact O-N 3.1Å; A111-V114 PolarHBondContact O-N 2.94Å; V114-E116 PolarHBondContact O-N 2.82Å |
| 115 | N | 85 | Confident | 90.1 | Very high | 121 Ų | 121 | 39.1 Ų | 39.1 | 65% | 0.647 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 23.3 | -177.7 | -63.8 | -32 | 0 | 0 | 0 | 115.2 | A111 S112 H117 | A111-N115 PolarHBondContact O-N 2.62Å; S112-N115 PolarHBondContact O-N 3.26Å; N115-H117 PolarHBondContact O-N 3.35Å |
| 116 | E | 84.6 | Confident | 89.9 | Confident | 69 Ų | 69 | 40 Ų | 40 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | trans | -95.3 | 76.4 | 177.5 | -77 | -67.3 | 168.1 | 0 | 0 | 110.3 | I71 A111 V114 Y119 S120 | I71-E116 HydrophobicContact CB-CG 4.12Å; I71-E116 HydrophobicContact CD1-CB 3.84Å; I71-E116 HydrophobicContact CD1-CG 3.88Å; I71-E116 HydrophobicContact CG1-CB 4.36Å; I71-E116 HydrophobicContact CG1-CG 3.86Å; A111-E116 PolarHBondContact O-N 2.67Å; V114-E116 PolarHBondContact O-N 2.82Å; E116-Y119 HydrophobicContact CB-CD2 4.12Å; E116-Y119 HydrophobicContact CG-CD2 4.49Å; E116-Y119 PolarHBondContact O-N 3.07Å; E116-S120 PolarHBondContact O-N 3.14Å | ||
| 117 | H | 83.1 | Confident | 90 | Very high | 72 Ų | 72 | 36.5 Ų | 36.5 | 33% | 0.333 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.4 | -35 | -170.8 | -61.6 | -51.3 | 0 | 0 | 0 | 114.2 | N115 S120 V121 | N115-H117 PolarHBondContact O-N 3.35Å; H117-S120 WeakPolarHBondContact O-CB 3.44Å; H117-S120 PolarHBondContact O-N 2.78Å; H117-V121 WeakPolarHBondContact O-CG2 3.45Å; H117-V121 PolarHBondContact O-N 3.12Å |
| 118 | S | 85.2 | Confident | 89.9 | Confident | 58 Ų | 58 | 36.5 Ų | 36.5 | 41% | 0.406 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.7 | -48.1 | 175.8 | 49.7 | 0 | 0 | 0 | 0 | 111.1 | V121 C122 | S118-V121 PolarHBondContact O-N 3.41Å; S118-C122 PolarHBondContact O-N 3.37Å; S118-C122 PolarHBondContact O-SG 2.97Å |
| 119 | Y | 88.4 | Confident | 89.7 | Confident | 94 Ų | 94 | 36.5 Ų | 36.5 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 174.2 | -74.4 | -70.9 | 0 | 0 | 0 | 112.3 | I71 V75 E116 V121 C122 F123 | I71-Y119 HydrophobicContact CD1-CD2 3.78Å; I71-Y119 HydrophobicContact CD1-CE2 4.32Å; I71-Y119 HydrophobicContact CD1-CG 3.98Å; I71-Y119 HydrophobicContact CG1-CD2 4Å; I71-Y119 HydrophobicContact CG1-CE2 4.06Å; V75-Y119 HydrophobicContact CG2-CD1 4.01Å; V75-Y119 HydrophobicContact CG2-CE1 3.66Å; E116-Y119 HydrophobicContact CB-CD2 4.12Å; E116-Y119 HydrophobicContact CG-CD2 4.49Å; E116-Y119 PolarHBondContact O-N 3.07Å; Y119-V121 VanDerWaalsContact C-N 3.35Å; Y119-V121 PolarHBondContact O-N 3.03Å; Y119-C122 PolarHBondContact O-N 3.43Å; Y119-F123 HydrophobicContact CD1-CE2 4.4Å; Y119-F123 HydrophobicContact CD1-CZ 4.06Å; Y119-F123 HydrophobicContact CG-CE2 4.47Å; Y119-F123 WeakPolarHBondContact O-CB 3.34Å; Y119-F123 WeakPolarHBondContact O-CD2 3.4Å; Y119-F123 WeakPolarHBondContact O-CG 3.44Å; Y119-F123 PolarHBondContact O-N 3.34Å |
| 120 | S | 89.4 | Confident | 89.6 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.4 | -45.9 | 175.1 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | C108 S112 E116 H117 F123 S124 | C108-S120 PolarHBondContact O-OG 3.35Å; C108-S120 PolarHBondContact SG-O 3.17Å; C108-S120 PolarHBondContact SG-OG 3.41Å; C108-S120 VanDerWaalsContact SG-OG 3.39Å; S112-S120 WeakPolarHBondContact OG-CB 3.37Å; S112-S120 PolarHBondContact OG-OG 2.87Å; E116-S120 PolarHBondContact O-N 3.14Å; H117-S120 WeakPolarHBondContact O-CB 3.44Å; H117-S120 PolarHBondContact O-N 2.78Å; S120-F123 PolarHBondContact O-N 3.13Å; S120-S124 PolarHBondContact O-N 3.49Å; S120-S124 PolarHBondContact O-OG 2.88Å |
| 121 | V | 88.9 | Confident | 89.3 | Confident | 14 Ų | 14 | 34.6 Ų | 34.6 | 9% | 0.085 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.8 | -50 | 175.1 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | H117 S118 Y119 F123 S124 A125 W142 R145 A149 | H117-V121 WeakPolarHBondContact O-CG2 3.45Å; H117-V121 PolarHBondContact O-N 3.12Å; S118-V121 PolarHBondContact O-N 3.41Å; Y119-V121 VanDerWaalsContact C-N 3.35Å; Y119-V121 PolarHBondContact O-N 3.03Å; V121-F123 PolarHBondContact O-N 3.15Å; V121-S124 PolarHBondContact O-N 3.28Å; V121-S124 VanDerWaalsContact O-N 3.16Å; V121-S124 PolarHBondContact O-OG 3.42Å; V121-A125 PolarHBondContact O-N 3.11Å; V121-W142 HydrophobicContact CG1-CH2 4Å; V121-W142 HydrophobicContact CG1-CZ3 3.53Å; V121-R145 HydrophobicContact CG2-CB 4.36Å; V121-A149 HydrophobicContact CG2-CB 3.77Å |
| 122 | C | 89.8 | Confident | 88.9 | Confident | 32 Ų | 32 | 35.7 Ų | 35.7 | 22% | 0.216 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.8 | -46.8 | 177.3 | -68.9 | 0 | 0 | 0 | 0 | 112.6 | S118 Y119 S124 A125 R126 C167 | S118-C122 PolarHBondContact O-N 3.37Å; S118-C122 PolarHBondContact O-SG 2.97Å; Y119-C122 PolarHBondContact O-N 3.43Å; C122-S124 VanDerWaalsContact C-N 3.33Å; C122-S124 PolarHBondContact O-N 3.12Å; C122-A125 PolarHBondContact O-N 3.16Å; C122-R126 WeakPolarHBondContact O-CG 3.2Å; C122-R126 PolarHBondContact O-N 3.44Å; C122-C167 PolarHBondContact O-SG 3.48Å; C122-C167 VanDerWaalsContact O-SG 3.38Å |
| 123 | F | 93.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.8 | -33 | -179.9 | -63.8 | -37.7 | 0 | 0 | 0 | 112.6 | I74 Y104 L107 C108 A111 Y119 S120 V121 R126 A127 | I74-F123 HydrophobicContact CG2-CD2 4.38Å; I74-F123 HydrophobicContact CG2-CE2 3.51Å; I74-F123 HydrophobicContact CG2-CZ 3.94Å; Y104-F123 HydrophobicContact CD1-CD1 4.05Å; Y104-F123 HydrophobicContact CE1-CD1 4.18Å; L107-F123 HydrophobicContact CB-CD2 4.07Å; L107-F123 HydrophobicContact CB-CE2 4.47Å; L107-F123 HydrophobicContact CB-CG 4.19Å; C108-F123 HydrophobicContact CB-CB 3.76Å; A111-F123 HydrophobicContact CB-CD2 3.81Å; A111-F123 HydrophobicContact CB-CE2 3.88Å; Y119-F123 HydrophobicContact CD1-CE2 4.4Å; Y119-F123 HydrophobicContact CD1-CZ 4.06Å; Y119-F123 HydrophobicContact CG-CE2 4.47Å; Y119-F123 WeakPolarHBondContact O-CB 3.34Å; Y119-F123 WeakPolarHBondContact O-CD2 3.4Å; Y119-F123 WeakPolarHBondContact O-CG 3.44Å; Y119-F123 PolarHBondContact O-N 3.34Å; S120-F123 PolarHBondContact O-N 3.13Å; V121-F123 PolarHBondContact O-N 3.15Å; F123-R126 PolarHBondContact O-N 3.24Å; F123-A127 PolarHBondContact O-N 3.36Å |
| 124 | S | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.8 | -38 | 172.4 | 66.2 | 0 | 0 | 0 | 0 | 112.5 | S120 V121 C122 A127 V128 | S120-S124 PolarHBondContact O-N 3.49Å; S120-S124 PolarHBondContact O-OG 2.88Å; V121-S124 PolarHBondContact O-N 3.28Å; V121-S124 VanDerWaalsContact O-N 3.16Å; V121-S124 PolarHBondContact O-OG 3.42Å; C122-S124 VanDerWaalsContact C-N 3.33Å; C122-S124 PolarHBondContact O-N 3.12Å; S124-A127 WeakPolarHBondContact O-CB 3.17Å; S124-A127 PolarHBondContact O-N 3.11Å; S124-V128 PolarHBondContact O-N 2.81Å |
| 125 | A | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V121 C122 A127 V128 L129 W142 V163 C167 | V121-A125 PolarHBondContact O-N 3.11Å; C122-A125 PolarHBondContact O-N 3.16Å; A125-A127 VanDerWaalsContact C-N 3.27Å; A125-A127 PolarHBondContact O-N 3.32Å; A125-V128 WeakPolarHBondContact O-CB 3.36Å; A125-V128 PolarHBondContact O-N 3.37Å; A125-V128 VanDerWaalsContact O-N 3.08Å; A125-L129 WeakPolarHBondContact O-CG 3.27Å; A125-L129 PolarHBondContact O-N 2.84Å; A125-W142 HydrophobicContact CB-CE3 3.74Å; A125-W142 HydrophobicContact CB-CH2 4.28Å; A125-W142 HydrophobicContact CB-CZ3 3.56Å; A125-V163 HydrophobicContact CB-CG1 4.2Å; A125-C167 HydrophobicContact CB-CB 4.37Å; A125-C167 VanDerWaalsContact CB-SG 3.5Å |
| 126 | R | 93.5 | Very high | 87.6 | Confident | 47 Ų | 47 | 30.6 Ų | 30.6 | 18% | 0.177 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.8 | -35.9 | 174.8 | -70.8 | -175 | 177.3 | 161 | -0.8 | 112.6 | S78 E82 Y104 C122 F123 V128 L129 A130 C167 L172 | S78-R126 PolarHBondContact OG-NH1 2.93Å; E82-R126 IonicContact OE1-CZ 3.2Å; E82-R126 IonicContact OE1-NE 2.78Å; E82-R126 IonicContact OE1-NH2 3.69Å; Y104-R126 HydrophobicContact CD1-CB 3.69Å; Y104-R126 HydrophobicContact CD2-CB 4.06Å; Y104-R126 HydrophobicContact CE1-CB 3.82Å; Y104-R126 VanDerWaalsContact CE1-CD 3.46Å; Y104-R126 HydrophobicContact CE1-CG 4.26Å; Y104-R126 HydrophobicContact CE2-CB 4.17Å; Y104-R126 HydrophobicContact CG-CB 3.82Å; C122-R126 WeakPolarHBondContact O-CG 3.2Å; C122-R126 PolarHBondContact O-N 3.44Å; F123-R126 PolarHBondContact O-N 3.24Å; R126-V128 VanDerWaalsContact C-N 3.34Å; R126-V128 PolarHBondContact O-N 3.03Å; R126-L129 PolarHBondContact O-N 3.38Å; R126-A130 WeakPolarHBondContact O-CB 3.5Å; R126-A130 PolarHBondContact O-N 3.22Å; R126-C167 VanDerWaalsContact CG-SG 3.57Å; R126-L172 HydrophobicContact CB-CD1 3.93Å; R126-L172 HydrophobicContact CG-CD1 4.15Å |
| 127 | A | 94.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | S101 Q105 F123 S124 A125 S131 A138 | S101-A127 WeakPolarHBondContact CB-O 3.37Å; S101-A127 PolarHBondContact OG-O 2.75Å; Q105-A127 HydrophobicContact CG-CB 3.66Å; F123-A127 PolarHBondContact O-N 3.36Å; S124-A127 WeakPolarHBondContact O-CB 3.17Å; S124-A127 PolarHBondContact O-N 3.11Å; A125-A127 VanDerWaalsContact C-N 3.27Å; A125-A127 PolarHBondContact O-N 3.32Å; A127-S131 PolarHBondContact O-N 3.38Å; A127-S131 PolarHBondContact O-OG 3.14Å; A127-A138 HydrophobicContact CB-CB 4.06Å |
| 128 | V | 92.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.8 | -51.4 | 175.1 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | S124 A125 R126 A130 S131 G132 G133 A138 W139 W142 V163 L181 | S124-V128 PolarHBondContact O-N 2.81Å; A125-V128 WeakPolarHBondContact O-CB 3.36Å; A125-V128 PolarHBondContact O-N 3.37Å; A125-V128 VanDerWaalsContact O-N 3.08Å; R126-V128 VanDerWaalsContact C-N 3.34Å; R126-V128 PolarHBondContact O-N 3.03Å; V128-A130 PolarHBondContact O-N 3.44Å; V128-S131 PolarHBondContact O-N 3.17Å; V128-S131 PolarHBondContact O-OG 3.21Å; V128-G132 PolarHBondContact O-N 2.89Å; V128-G132 VanDerWaalsContact O-N 3.12Å; V128-G133 PolarHBondContact O-N 3.37Å; V128-A138 HydrophobicContact CG2-CB 3.93Å; V128-W139 HydrophobicContact CG1-CD2 4.14Å; V128-W139 HydrophobicContact CG1-CE3 4.42Å; V128-W139 HydrophobicContact CG1-CH2 3.78Å; V128-W139 HydrophobicContact CG1-CZ2 3.44Å; V128-W139 VanDerWaalsContact CG1-CZ2 3.44Å; V128-W139 HydrophobicContact CG1-CZ3 4.24Å; V128-W139 HydrophobicContact CG2-CD2 4.22Å; V128-W139 HydrophobicContact CG2-CE3 4.34Å; V128-W142 HydrophobicContact CG2-CB 4.05Å; V128-V163 HydrophobicContact CB-CG1 4.19Å; V128-V163 HydrophobicContact CG1-CG1 4.08Å; V128-L181 HydrophobicContact CG1-CD2 4.27Å |
| 129 | L | 90.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.2 | -44.2 | 179.1 | -66.2 | 175.6 | 0 | 0 | 0 | 112.6 | R97 A125 R126 S131 G132 V163 C167 L172 N176 L181 | R97-L129 PolarHBondContact NH2-O 2.9Å; R97-L129 VanDerWaalsContact NH2-O 3.16Å; A125-L129 WeakPolarHBondContact O-CG 3.27Å; A125-L129 PolarHBondContact O-N 2.84Å; R126-L129 PolarHBondContact O-N 3.38Å; L129-S131 VanDerWaalsContact C-N 3.34Å; L129-S131 PolarHBondContact O-N 3.42Å; L129-G132 PolarHBondContact O-N 3.11Å; L129-G132 VanDerWaalsContact O-N 3.09Å; L129-V163 HydrophobicContact CD2-CG1 4.21Å; L129-V163 HydrophobicContact CG-CG1 4.25Å; L129-C167 HydrophobicContact CD1-CB 3.46Å; L129-C167 VanDerWaalsContact CD1-CB 3.46Å; L129-L172 HydrophobicContact CB-CB 3.77Å; L129-L172 HydrophobicContact CB-CD1 4.44Å; L129-L172 HydrophobicContact CD1-CB 4.22Å; L129-N176 PolarHBondContact O-ND2 3.32Å; L129-L181 HydrophobicContact CD2-CD1 3.35Å |
| 130 | A | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R97 I100 Y104 R126 V128 G132 L172 | R97-A130 VanDerWaalsContact CB-O 3.28Å; R97-A130 WeakPolarHBondContact CB-O 3.46Å; R97-A130 PolarHBondContact NE-O 2.93Å; I100-A130 HydrophobicContact CB-CB 4.36Å; I100-A130 HydrophobicContact CG2-CB 3.85Å; Y104-A130 HydrophobicContact CD2-CB 4.25Å; R126-A130 WeakPolarHBondContact O-CB 3.5Å; R126-A130 PolarHBondContact O-N 3.22Å; V128-A130 PolarHBondContact O-N 3.44Å; A130-G132 PolarHBondContact O-N 3.45Å; A130-L172 HydrophobicContact CB-CD1 4.37Å |
| 131 | S | 87.4 | Confident | 88.4 | Confident | 7 Ų | 7 | 26.5 Ų | 26.5 | 5% | 0.049 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -73.8 | -9.8 | 177.1 | 68.5 | 0 | 0 | 0 | 0 | 114.7 | A127 V128 L129 G133 L134 C135 | A127-S131 PolarHBondContact O-N 3.38Å; A127-S131 PolarHBondContact O-OG 3.14Å; V128-S131 PolarHBondContact O-N 3.17Å; V128-S131 PolarHBondContact O-OG 3.21Å; L129-S131 VanDerWaalsContact C-N 3.34Å; L129-S131 PolarHBondContact O-N 3.42Å; S131-G133 VanDerWaalsContact C-N 3.28Å; S131-G133 PolarHBondContact OG-N 2.85Å; S131-L134 PolarHBondContact O-N 3Å; S131-C135 VanDerWaalsContact CB-CB 3.49Å; S131-C135 WeakPolarHBondContact OG-CB 3.4Å |
| 132 | G | 79.8 | Confident | 88.4 | Confident | 22 Ų | 22 | 25.9 Ų | 25.9 | 23% | 0.227 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 30.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V128 L129 A130 L134 N176 | V128-G132 PolarHBondContact O-N 2.89Å; V128-G132 VanDerWaalsContact O-N 3.12Å; L129-G132 PolarHBondContact O-N 3.11Å; L129-G132 VanDerWaalsContact O-N 3.09Å; A130-G132 PolarHBondContact O-N 3.45Å; G132-L134 PolarHBondContact O-N 2.85Å; G132-N176 WeakPolarHBondContact CA-OD1 3.21Å |
| 133 | G | 77.9 | Confident | 88.2 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -1.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V128 S131 C135 W139 | V128-G133 PolarHBondContact O-N 3.37Å; S131-G133 VanDerWaalsContact C-N 3.28Å; S131-G133 PolarHBondContact OG-N 2.85Å; G133-C135 VanDerWaalsContact C-N 3.31Å; G133-C135 PolarHBondContact O-N 3.28Å; G133-W139 PolarHBondContact O-NE1 3.08Å |
| 134 | L | 77.3 | Confident | 87.9 | Confident | 130 Ų | 130 | 27.1 Ų | 27.1 | 68% | 0.681 | 15% | 0.151 | S | C | * | . | trans | -82.7 | -1.3 | -175.4 | -63.2 | 172.4 | 0 | 0 | 0 | 114.5 | S131 G132 P136 | S131-L134 PolarHBondContact O-N 3Å; G132-L134 PolarHBondContact O-N 2.85Å; L134-P136 VanDerWaalsContact O-CD 3.3Å; L134-P136 WeakPolarHBondContact O-CD 3.5Å | ||
| 135 | C | 84.3 | Confident | 87.5 | Confident | 18 Ų | 18 | 29.7 Ų | 29.7 | 12% | 0.122 | 16% | 0.16 | C | C | . | . | trans | -106 | 104.8 | -175.4 | -169.9 | 0 | 0 | 0 | 0 | 112.2 | Q105 S131 G133 S137 A138 W139 | Q105-C135 PolarHBondContact NE2-SG 3.05Å; S131-C135 VanDerWaalsContact CB-CB 3.49Å; S131-C135 WeakPolarHBondContact OG-CB 3.4Å; G133-C135 VanDerWaalsContact C-N 3.31Å; G133-C135 PolarHBondContact O-N 3.28Å; C135-S137 VanDerWaalsContact C-N 3.29Å; C135-S137 PolarHBondContact O-N 3.14Å; C135-S137 PolarHBondContact SG-OG 2.91Å; C135-A138 HydrophobicContact CB-CB 3.98Å; C135-A138 WeakPolarHBondContact O-CB 3.26Å; C135-A138 PolarHBondContact O-N 3.37Å; C135-A138 VanDerWaalsContact O-N 3.11Å; C135-W139 PolarHBondContact O-N 3.17Å | ||
| 136 | P | 83.7 | Confident | 87 | Confident | 72 Ų | 72 | 30.8 Ų | 30.8 | 47% | 0.468 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -52.7 | -40.3 | 177.2 | -33.3 | 38.4 | 0 | 0 | 0 | 115 | L134 A138 W139 K140 W188 | L134-P136 VanDerWaalsContact O-CD 3.3Å; L134-P136 WeakPolarHBondContact O-CD 3.5Å; P136-A138 VanDerWaalsContact C-N 3.31Å; P136-A138 PolarHBondContact O-N 3.26Å; P136-W139 PolarHBondContact O-N 2.73Å; P136-K140 PolarHBondContact O-N 3.31Å; P136-W188 HydrophobicContact CB-CH2 3.45Å; P136-W188 VanDerWaalsContact CB-CH2 3.45Å; P136-W188 HydrophobicContact CB-CZ2 3.85Å; P136-W188 HydrophobicContact CB-CZ3 4.31Å; P136-W188 HydrophobicContact CG-CH2 3.84Å; P136-W188 HydrophobicContact CG-CZ2 3.9Å |
| 137 | S | 87.4 | Confident | 86.2 | Confident | 60 Ų | 60 | 32.4 Ų | 32.4 | 42% | 0.42 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.3 | -33.2 | -178.8 | 65.6 | 0 | 0 | 0 | 0 | 112.1 | Q105 C135 L141 | Q105-S137 PolarHBondContact NE2-OG 3.36Å; Q105-S137 PolarHBondContact OE1-OG 3Å; C135-S137 VanDerWaalsContact C-N 3.29Å; C135-S137 PolarHBondContact O-N 3.14Å; C135-S137 PolarHBondContact SG-OG 2.91Å; S137-L141 WeakPolarHBondContact O-CB 3.43Å; S137-L141 PolarHBondContact O-N 3.16Å |
| 138 | A | 91.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q105 A127 V128 C135 P136 L141 W142 | Q105-A138 HydrophobicContact CG-CB 4.44Å; A127-A138 HydrophobicContact CB-CB 4.06Å; V128-A138 HydrophobicContact CG2-CB 3.93Å; C135-A138 HydrophobicContact CB-CB 3.98Å; C135-A138 WeakPolarHBondContact O-CB 3.26Å; C135-A138 PolarHBondContact O-N 3.37Å; C135-A138 VanDerWaalsContact O-N 3.11Å; P136-A138 VanDerWaalsContact C-N 3.31Å; P136-A138 PolarHBondContact O-N 3.26Å; A138-L141 PolarHBondContact O-N 2.87Å; A138-W142 WeakPolarHBondContact O-CB 3.38Å; A138-W142 PolarHBondContact O-N 3.49Å |
| 139 | W | 90.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 175.9 | -78.4 | 110.9 | 0 | 0 | 0 | 113 | V128 G133 C135 P136 L141 W142 I143 V163 L181 M184 E185 W188 | V128-W139 HydrophobicContact CG1-CD2 4.14Å; V128-W139 HydrophobicContact CG1-CE3 4.42Å; V128-W139 HydrophobicContact CG1-CH2 3.78Å; V128-W139 HydrophobicContact CG1-CZ2 3.44Å; V128-W139 VanDerWaalsContact CG1-CZ2 3.44Å; V128-W139 HydrophobicContact CG1-CZ3 4.24Å; V128-W139 HydrophobicContact CG2-CD2 4.22Å; V128-W139 HydrophobicContact CG2-CE3 4.34Å; G133-W139 PolarHBondContact O-NE1 3.08Å; C135-W139 PolarHBondContact O-N 3.17Å; P136-W139 PolarHBondContact O-N 2.73Å; W139-L141 VanDerWaalsContact C-N 3.26Å; W139-L141 PolarHBondContact O-N 3.37Å; W139-W142 PolarHBondContact O-N 3.09Å; W139-I143 PolarHBondContact O-N 3.4Å; W139-V163 HydrophobicContact CH2-CG2 3.97Å; W139-V163 HydrophobicContact CZ3-CG2 3.68Å; W139-L181 WeakPolarHBondContact CH2-O 3.25Å; W139-M184 HydrophobicContact CH2-CB 4Å; W139-M184 HydrophobicContact CZ2-CB 3.42Å; W139-M184 VanDerWaalsContact CZ2-CB 3.42Å; W139-M184 HydrophobicContact CZ2-CG 4.5Å; W139-E185 HydrophobicContact CH2-CB 3.73Å; W139-E185 HydrophobicContact CH2-CG 4.48Å; W139-E185 VanDerWaalsContact CZ3-CA 3.46Å; W139-E185 HydrophobicContact CZ3-CB 3.55Å; W139-E185 HydrophobicContact CZ3-CG 3.83Å; W139-W188 HydrophobicContact CB-CB 4.25Å; W139-W188 HydrophobicContact CB-CD2 3.66Å; W139-W188 HydrophobicContact CB-CE3 4.17Å; W139-W188 HydrophobicContact CB-CG 3.67Å; W139-W188 AromaticContact CD1-CD1 3.38Å; W139-W188 AromaticContact CD1-CE2 3.62Å; W139-W188 AromaticContact CD1-NE1 3.08Å; W139-W188 HydrophobicContact CD2-CB 4.29Å; W139-W188 AromaticContact CD2-CD1 3.41Å; W139-W188 VanDerWaalsContact CD2-CD1 3.41Å; W139-W188 AromaticContact CD2-CG 3.87Å; W139-W188 HydrophobicContact CD2-CG 3.87Å; W139-W188 AromaticContact CD2-NE1 3.98Å; W139-W188 AromaticContact CE2-CD1 3.57Å; W139-W188 AromaticContact CE2-NE1 3.95Å; W139-W188 HydrophobicContact CE3-CB 4.25Å; W139-W188 HydrophobicContact CE3-CG 4.32Å; W139-W188 HydrophobicContact CG-CB 4.33Å; W139-W188 AromaticContact CG-CD1 3.29Å; W139-W188 AromaticContact CG-CD2 3.89Å; W139-W188 HydrophobicContact CG-CD2 3.89Å; W139-W188 AromaticContact CG-CE2 3.84Å; W139-W188 AromaticContact CG-CG 3.59Å; W139-W188 HydrophobicContact CG-CG 3.59Å; W139-W188 AromaticContact CG-NE1 3.45Å; W139-W188 AromaticContact NE1-CD1 3.5Å; W139-W188 AromaticContact NE1-NE1 3.37Å |
| 140 | K | 87 | Confident | 83.3 | Confident | 124 Ų | 124 | 38.3 Ų | 38.3 | 54% | 0.539 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 175 | -171.3 | 174.7 | -177.4 | 173.8 | 0 | 111.5 | P136 N144 L192 | P136-K140 PolarHBondContact O-N 3.31Å; K140-N144 WeakPolarHBondContact O-CB 3.46Å; K140-N144 PolarHBondContact O-N 2.97Å; K140-L192 HydrophobicContact CB-CD1 4.29Å; K140-L192 HydrophobicContact CG-CD1 4.43Å |
| 141 | L | 89.7 | Confident | 82.2 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.8 | -47.3 | 176.5 | -167.4 | 66.8 | 0 | 0 | 0 | 111.5 | Q105 C108 S137 A138 W139 N144 R145 | Q105-L141 HydrophobicContact CB-CD2 3.99Å; Q105-L141 HydrophobicContact CG-CD2 4.03Å; C108-L141 HydrophobicContact CB-CD2 3.93Å; S137-L141 WeakPolarHBondContact O-CB 3.43Å; S137-L141 PolarHBondContact O-N 3.16Å; A138-L141 PolarHBondContact O-N 2.87Å; W139-L141 VanDerWaalsContact C-N 3.26Å; W139-L141 PolarHBondContact O-N 3.37Å; L141-N144 PolarHBondContact O-N 3.48Å; L141-R145 HydrophobicContact CD1-CG 4.31Å; L141-R145 HydrophobicContact CG-CG 4.33Å; L141-R145 WeakPolarHBondContact O-CB 3.44Å; L141-R145 VanDerWaalsContact O-CG 3.26Å; L141-R145 WeakPolarHBondContact O-CG 3.36Å; L141-R145 PolarHBondContact O-N 3.31Å |
| 142 | W | 90.5 | Very high | 81.2 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.2 | -56.1 | 176.6 | 167 | -112.2 | 0 | 0 | 0 | 112.1 | V121 A125 V128 A138 W139 N144 R145 K146 V163 S166 E185 | V121-W142 HydrophobicContact CG1-CH2 4Å; V121-W142 HydrophobicContact CG1-CZ3 3.53Å; A125-W142 HydrophobicContact CB-CE3 3.74Å; A125-W142 HydrophobicContact CB-CH2 4.28Å; A125-W142 HydrophobicContact CB-CZ3 3.56Å; V128-W142 HydrophobicContact CG2-CB 4.05Å; A138-W142 WeakPolarHBondContact O-CB 3.38Å; A138-W142 PolarHBondContact O-N 3.49Å; W139-W142 PolarHBondContact O-N 3.09Å; W142-N144 VanDerWaalsContact C-N 3.3Å; W142-N144 PolarHBondContact O-N 3.08Å; W142-R145 PolarHBondContact O-N 3.33Å; W142-K146 HydrophobicContact CH2-CD 4.34Å; W142-K146 HydrophobicContact CZ2-CD 3.73Å; W142-K146 VanDerWaalsContact O-CB 3.27Å; W142-K146 WeakPolarHBondContact O-CB 3.3Å; W142-K146 PolarHBondContact O-N 3.2Å; W142-V163 HydrophobicContact CD2-CG2 3.89Å; W142-V163 VanDerWaalsContact CE2-CG2 3.43Å; W142-V163 HydrophobicContact CG-CG2 4.02Å; W142-V163 HydrophobicContact CZ2-CG2 3.95Å; W142-S166 VanDerWaalsContact CH2-OG 3.26Å; W142-S166 WeakPolarHBondContact CH2-OG 3.33Å; W142-E185 PolarHBondContact NE1-OE1 3.36Å; W142-E185 VanDerWaalsContact NE1-OE1 3.12Å |
| 143 | I | 85.8 | Confident | 80 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | -177.4 | -69.6 | 165.9 | 0 | 0 | 0 | 110.6 | W139 Y147 W188 L189 L192 F196 | W139-I143 PolarHBondContact O-N 3.4Å; I143-Y147 VanDerWaalsContact O-CB 3.32Å; I143-Y147 WeakPolarHBondContact O-CB 3.46Å; I143-Y147 PolarHBondContact O-N 2.9Å; I143-W188 HydrophobicContact CD1-CB 3.79Å; I143-L189 HydrophobicContact CD1-CD2 4.01Å; I143-L189 HydrophobicContact CD1-CG 4.32Å; I143-L189 HydrophobicContact CG1-CD2 4Å; I143-L189 HydrophobicContact CG2-CD2 4.19Å; I143-L192 HydrophobicContact CD1-CD1 3.72Å; I143-F196 HydrophobicContact CG2-CD2 3.55Å; I143-F196 HydrophobicContact CG2-CE2 3.8Å; I143-F196 HydrophobicContact CG2-CG 4.11Å |
| 144 | N | 86.3 | Confident | 78.8 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 178.1 | -171.4 | -9.6 | 0 | 0 | 0 | 112.2 | K140 L141 W142 Y147 L148 F196 | K140-N144 WeakPolarHBondContact O-CB 3.46Å; K140-N144 PolarHBondContact O-N 2.97Å; L141-N144 PolarHBondContact O-N 3.48Å; W142-N144 VanDerWaalsContact C-N 3.3Å; W142-N144 PolarHBondContact O-N 3.08Å; N144-Y147 PolarHBondContact O-N 3.42Å; N144-L148 WeakPolarHBondContact O-CG 3.4Å; N144-L148 PolarHBondContact O-N 3.38Å; N144-L148 VanDerWaalsContact OD1-CD1 3.28Å; N144-L148 WeakPolarHBondContact OD1-CD1 3.44Å; N144-F196 HydrophobicContact CB-CE1 4.19Å; N144-F196 HydrophobicContact CB-CZ 3.78Å |
| 145 | R | 86.3 | Confident | 77.4 | Confident | 54 Ų | 54 | 59 Ų | 59 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67 | -40 | -178.6 | -65.6 | -57.5 | 175.4 | -137.5 | -1.5 | 112.5 | V121 L141 W142 Y147 L148 A149 | V121-R145 HydrophobicContact CG2-CB 4.36Å; L141-R145 HydrophobicContact CD1-CG 4.31Å; L141-R145 HydrophobicContact CG-CG 4.33Å; L141-R145 WeakPolarHBondContact O-CB 3.44Å; L141-R145 VanDerWaalsContact O-CG 3.26Å; L141-R145 WeakPolarHBondContact O-CG 3.36Å; L141-R145 PolarHBondContact O-N 3.31Å; W142-R145 PolarHBondContact O-N 3.33Å; R145-Y147 VanDerWaalsContact C-N 3.34Å; R145-Y147 PolarHBondContact O-N 2.86Å; R145-L148 VanDerWaalsContact NH1-CD1 3.32Å; R145-L148 PolarHBondContact O-N 3.39Å; R145-A149 WeakPolarHBondContact O-CB 3.36Å; R145-A149 PolarHBondContact O-N 3.46Å |
| 146 | K | 80.8 | Confident | 75.7 | Confident | 23 Ų | 23 | 67.3 Ų | 67.3 | 10% | 0.1 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 172.2 | -179.3 | 174.2 | 178.1 | 164.1 | 0 | 112 | W142 A149 A150 T159 Q161 E185 Y203 | W142-K146 HydrophobicContact CH2-CD 4.34Å; W142-K146 HydrophobicContact CZ2-CD 3.73Å; W142-K146 VanDerWaalsContact O-CB 3.27Å; W142-K146 WeakPolarHBondContact O-CB 3.3Å; W142-K146 PolarHBondContact O-N 3.2Å; K146-A149 PolarHBondContact O-N 3.21Å; K146-A150 PolarHBondContact O-N 3.45Å; K146-T159 WeakPolarHBondContact CE-O 3.49Å; K146-Q161 WeakPolarHBondContact CE-O 3.38Å; K146-Q161 PolarHBondContact NZ-O 2.84Å; K146-E185 IonicContact NZ-OE1 2.69Å; K146-E185 PolarHBondContact NZ-OE1 2.7Å; K146-Y203 PolarHBondContact NZ-OH 3.35Å |
| 147 | Y | 76.1 | Confident | 73.9 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 32% | 0.318 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 176.4 | 174.6 | -113.2 | 0 | 0 | 0 | 112.5 | I143 N144 R145 A149 A150 K151 F196 S198 | I143-Y147 VanDerWaalsContact O-CB 3.32Å; I143-Y147 WeakPolarHBondContact O-CB 3.46Å; I143-Y147 PolarHBondContact O-N 2.9Å; N144-Y147 PolarHBondContact O-N 3.42Å; R145-Y147 VanDerWaalsContact C-N 3.34Å; R145-Y147 PolarHBondContact O-N 2.86Å; Y147-A149 PolarHBondContact O-N 3.03Å; Y147-A150 WeakPolarHBondContact O-CB 3.45Å; Y147-A150 PolarHBondContact O-N 3.24Å; Y147-K151 PolarHBondContact O-N 3.48Å; Y147-K151 VanDerWaalsContact O-N 3.07Å; Y147-F196 AromaticContact CD1-CD1 3.64Å; Y147-F196 HydrophobicContact CD1-CD1 3.64Å; Y147-F196 HydrophobicContact CD1-CE1 4.02Å; Y147-F196 HydrophobicContact CE1-CD1 4.23Å; Y147-F196 AromaticContact CG-CD1 3.92Å; Y147-F196 HydrophobicContact CG-CD1 3.92Å; Y147-S198 WeakPolarHBondContact CD2-OG 3.4Å; Y147-S198 WeakPolarHBondContact CE2-OG 3.31Å |
| 148 | L | 77.1 | Confident | 72.1 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 32% | 0.319 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 176.6 | -73.6 | 168.3 | 0 | 0 | 0 | 112.1 | N144 R145 A150 K151 M152 | N144-L148 WeakPolarHBondContact O-CG 3.4Å; N144-L148 PolarHBondContact O-N 3.38Å; N144-L148 VanDerWaalsContact OD1-CD1 3.28Å; N144-L148 WeakPolarHBondContact OD1-CD1 3.44Å; R145-L148 VanDerWaalsContact NH1-CD1 3.32Å; R145-L148 PolarHBondContact O-N 3.39Å; L148-A150 VanDerWaalsContact C-N 3.31Å; L148-A150 PolarHBondContact O-N 3Å; L148-K151 PolarHBondContact O-N 3.34Å; L148-M152 WeakPolarHBondContact O-CG 3.37Å; L148-M152 PolarHBondContact O-N 2.97Å; L148-M152 VanDerWaalsContact O-N 3.1Å |
| 149 | A | 72.3 | Confident | 70.3 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V121 R145 K146 Y147 K151 M152 A153 | V121-A149 HydrophobicContact CG2-CB 3.77Å; R145-A149 WeakPolarHBondContact O-CB 3.36Å; R145-A149 PolarHBondContact O-N 3.46Å; K146-A149 PolarHBondContact O-N 3.21Å; Y147-A149 PolarHBondContact O-N 3.03Å; A149-K151 VanDerWaalsContact C-N 3.31Å; A149-K151 PolarHBondContact O-N 2.87Å; A149-M152 PolarHBondContact O-N 3.06Å; A149-A153 PolarHBondContact O-N 3.24Å; A149-A153 VanDerWaalsContact O-N 3.15Å |
| 150 | A | 67.1 | Low | 69 | Low | 35 Ų | 35 | 73.9 Ų | 73.9 | 29% | 0.289 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K146 Y147 L148 T159 | K146-A150 PolarHBondContact O-N 3.45Å; Y147-A150 WeakPolarHBondContact O-CB 3.45Å; Y147-A150 PolarHBondContact O-N 3.24Å; L148-A150 VanDerWaalsContact C-N 3.31Å; L148-A150 PolarHBondContact O-N 3Å; A150-T159 HydrophobicContact CB-CG2 3.36Å |
| 151 | K | 68.3 | Low | 68.5 | Low | 155 Ų | 155 | 70.7 Ų | 70.7 | 67% | 0.674 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -72 | -35 | 178.8 | -165.2 | 178.5 | 179.6 | -175.4 | 0 | 112.6 | Y147 L148 A149 | Y147-K151 PolarHBondContact O-N 3.48Å; Y147-K151 VanDerWaalsContact O-N 3.07Å; L148-K151 PolarHBondContact O-N 3.34Å; A149-K151 VanDerWaalsContact C-N 3.31Å; A149-K151 PolarHBondContact O-N 2.87Å |
| 152 | M | 65.2 | Low | 68.2 | Low | 125 Ų | 125 | 69.7 Ų | 69.7 | 62% | 0.616 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -84.3 | -32.3 | -174.1 | -72.3 | -171.6 | 163.9 | 0 | 0 | 114.2 | L148 A149 | L148-M152 WeakPolarHBondContact O-CG 3.37Å; L148-M152 PolarHBondContact O-N 2.97Å; L148-M152 VanDerWaalsContact O-N 3.1Å; A149-M152 PolarHBondContact O-N 3.06Å |
| 153 | A | 55.6 | Low | 67.9 | Low | 44 Ų | 44 | 69.7 Ų | 69.7 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | trans | -140.3 | 70.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | A149 Q155 K156 | A149-A153 PolarHBondContact O-N 3.24Å; A149-A153 VanDerWaalsContact O-N 3.15Å; A153-Q155 PolarHBondContact O-N 3.25Å; A153-Q155 VanDerWaalsContact O-N 3.09Å; A153-K156 PolarHBondContact O-N 2.88Å | ||
| 154 | P | 52.9 | Low | 67.8 | Low | 103 Ų | 103 | 71.9 Ų | 71.9 | 67% | 0.669 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.8 | -176.2 | 21.5 | -32 | 0 | 0 | 0 | 114.4 | A157 | P154-A157 WeakPolarHBondContact O-CB 3.49Š|
| 155 | Q | 47.8 | Very low | 67.7 | Low | 170 Ų | 170 | 72.9 Ų | 72.9 | 79% | 0.794 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -22 | -177.6 | -69.5 | -173.8 | -6.8 | 0 | 0 | 114.9 | A153 | A153-Q155 PolarHBondContact O-N 3.25Å; A153-Q155 VanDerWaalsContact O-N 3.09Å |
| 156 | K | 47.1 | Very low | 67.5 | Low | 193 Ų | 193 | 71.1 Ų | 71.1 | 84% | 0.839 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -102.3 | 17.2 | 179.7 | -77.4 | -171.8 | 174.2 | -178.3 | 0 | 112.6 | A153 E158 | A153-K156 PolarHBondContact O-N 2.88Å; K156-E158 PolarHBondContact O-N 3.36Å |
| 157 | A | 46.9 | Very low | 67.6 | Low | 39 Ų | 39 | 70.3 Ų | 70.3 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | trans | -77.5 | 98.9 | -153.5 | 0 | 0 | 0 | 0 | 0 | 113 | P154 T159 | P154-A157 WeakPolarHBondContact O-CB 3.49Å; A157-T159 HydrophobicContact CB-CG2 3.32Å; A157-T159 WeakPolarHBondContact CB-OG1 3.41Å; A157-T159 PolarHBondContact O-N 3.02Å | ||
| 158 | E | 49.6 | Very low | 67.9 | Low | 100 Ų | 100 | 69.9 Ų | 69.9 | 47% | 0.467 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -53.4 | 10.9 | 150 | -64.4 | 176.3 | 151.2 | 0 | 0 | 112.9 | K156 N160 Q161 | K156-E158 PolarHBondContact O-N 3.36Å; E158-N160 VanDerWaalsContact C-N 3.26Å; E158-N160 PolarHBondContact O-N 3.34Å; E158-Q161 HydrophobicContact CB-CG 4.26Å; E158-Q161 WeakPolarHBondContact O-CB 3.48Å; E158-Q161 WeakPolarHBondContact O-CG 3.44Å; E158-Q161 PolarHBondContact O-N 3.39Å |
| 159 | T | 54.1 | Low | 68.2 | Low | 31 Ų | 31 | 76.7 Ų | 76.7 | 19% | 0.19 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -69.6 | -20.4 | -168.8 | 62.6 | 0 | 0 | 0 | 0 | 113.8 | K146 A150 A157 Q161 | K146-T159 WeakPolarHBondContact CE-O 3.49Å; A150-T159 HydrophobicContact CB-CG2 3.36Å; A157-T159 HydrophobicContact CB-CG2 3.32Å; A157-T159 WeakPolarHBondContact CB-OG1 3.41Å; A157-T159 PolarHBondContact O-N 3.02Å; T159-Q161 VanDerWaalsContact C-N 3.3Å |
| 160 | N | 62.5 | Low | 68.9 | Low | 99 Ų | 99 | 75.7 Ų | 75.7 | 53% | 0.529 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -91.2 | 4.1 | 173.5 | -71.9 | -13.1 | 0 | 0 | 0 | 112.5 | E158 K206 | E158-N160 VanDerWaalsContact C-N 3.26Å; E158-N160 PolarHBondContact O-N 3.34Å; N160-K206 PolarHBondContact O-NZ 3.31Å |
| 161 | Q | 77.3 | Confident | 69.8 | Low | 57 Ų | 57 | 74.9 Ų | 74.9 | 27% | 0.266 | 38% | 0.383 | S | S | . | . | trans | -77.9 | 129 | 174.1 | -63.6 | -178.5 | -0.4 | 0 | 0 | 110.5 | K146 E158 T159 E165 S166 | K146-Q161 WeakPolarHBondContact CE-O 3.38Å; K146-Q161 PolarHBondContact NZ-O 2.84Å; E158-Q161 HydrophobicContact CB-CG 4.26Å; E158-Q161 WeakPolarHBondContact O-CB 3.48Å; E158-Q161 WeakPolarHBondContact O-CG 3.44Å; E158-Q161 PolarHBondContact O-N 3.39Å; T159-Q161 VanDerWaalsContact C-N 3.3Å; Q161-E165 VanDerWaalsContact CA-OE2 3.27Å; Q161-E165 WeakPolarHBondContact CA-OE2 3.43Å; Q161-E165 HydrophobicContact CB-CB 3.92Å; Q161-E165 HydrophobicContact CG-CB 4.2Å; Q161-S166 WeakPolarHBondContact CB-OG 3.45Å | ||
| 162 | N | 83.3 | Confident | 70.7 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.032 | 35% | 0.351 | C | S | . | . | trans | -75.2 | 173.4 | 171.7 | 60.3 | 51.9 | 0 | 0 | 0 | 110.7 | F164 E165 S166 L182 L207 | N162-F164 PolarHBondContact O-N 3.21Å; N162-F164 WeakPolarHBondContact OD1-CA 3.47Å; N162-F164 WeakPolarHBondContact OD1-CB 3.47Å; N162-F164 PolarHBondContact OD1-N 3.45Å; N162-E165 PolarHBondContact ND2-OE1 3Å; N162-E165 PolarHBondContact O-N 3.38Å; N162-E165 WeakPolarHBondContact OD1-CG 3.39Å; N162-E165 PolarHBondContact OD1-N 3.46Å; N162-S166 WeakPolarHBondContact O-CB 3.46Å; N162-S166 PolarHBondContact O-N 3.39Å; N162-S166 VanDerWaalsContact O-N 3.14Å; N162-S166 PolarHBondContact O-OG 3.28Å; N162-L182 HydrophobicContact CB-CD2 3.56Å; N162-L182 VanDerWaalsContact CG-CD2 3.42Å; N162-L207 HydrophobicContact CB-CD2 3.6Å | ||
| 163 | V | 83.1 | Confident | 71.6 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -39.6 | 178.7 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | A125 V128 L129 W139 W142 E185 | A125-V163 HydrophobicContact CB-CG1 4.2Å; V128-V163 HydrophobicContact CB-CG1 4.19Å; V128-V163 HydrophobicContact CG1-CG1 4.08Å; L129-V163 HydrophobicContact CD2-CG1 4.21Å; L129-V163 HydrophobicContact CG-CG1 4.25Å; W139-V163 HydrophobicContact CH2-CG2 3.97Å; W139-V163 HydrophobicContact CZ3-CG2 3.68Å; W142-V163 HydrophobicContact CD2-CG2 3.89Å; W142-V163 VanDerWaalsContact CE2-CG2 3.43Å; W142-V163 HydrophobicContact CG-CG2 4.02Å; W142-V163 HydrophobicContact CZ2-CG2 3.95Å; V163-E185 WeakPolarHBondContact CG2-OE2 3.48Å; V163-E185 PolarHBondContact N-OE2 3.1Å; V163-E185 VanDerWaalsContact N-OE2 3.09Å |
| 164 | F | 83.7 | Confident | 72.8 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 23% | 0.228 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -46.9 | -175.5 | -167.9 | -93.5 | 0 | 0 | 0 | 112.4 | N162 S166 C167 S168 C173 V178 | N162-F164 PolarHBondContact O-N 3.21Å; N162-F164 WeakPolarHBondContact OD1-CA 3.47Å; N162-F164 WeakPolarHBondContact OD1-CB 3.47Å; N162-F164 PolarHBondContact OD1-N 3.45Å; F164-S166 VanDerWaalsContact C-N 3.27Å; F164-S166 PolarHBondContact O-N 3.28Å; F164-C167 CarbonylContact O-C 3.59Å; F164-C167 PolarHBondContact O-N 2.9Å; F164-C167 VanDerWaalsContact O-N 3.11Å; F164-S168 WeakPolarHBondContact O-CA 3.45Å; F164-S168 PolarHBondContact O-N 3.44Å; F164-C173 HydrophobicContact CD2-CB 4.36Å; F164-C173 HydrophobicContact CE2-CB 3.59Å; F164-C173 HydrophobicContact CZ-CB 4.04Å; F164-V178 HydrophobicContact CB-CG1 4.4Å; F164-V178 HydrophobicContact CD1-CG1 4.28Å; F164-V178 HydrophobicContact CD1-CG2 4.15Å; F164-V178 HydrophobicContact CD2-CG1 4.44Å; F164-V178 HydrophobicContact CD2-CG2 3.81Å; F164-V178 HydrophobicContact CE1-CG2 3.88Å; F164-V178 HydrophobicContact CE2-CG2 3.51Å; F164-V178 HydrophobicContact CG-CG1 4.12Å; F164-V178 HydrophobicContact CG-CG2 4.11Å; F164-V178 HydrophobicContact CZ-CG2 3.55Å |
| 165 | E | 84.4 | Confident | 74 | Confident | 74 Ų | 74 | 65 Ų | 65 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -56.9 | -44 | 177.3 | -76.3 | 175.6 | -175.4 | 0 | 0 | 111.2 | Q161 N162 C167 S168 K206 | Q161-E165 VanDerWaalsContact CA-OE2 3.27Å; Q161-E165 WeakPolarHBondContact CA-OE2 3.43Å; Q161-E165 HydrophobicContact CB-CB 3.92Å; Q161-E165 HydrophobicContact CG-CB 4.2Å; N162-E165 PolarHBondContact ND2-OE1 3Å; N162-E165 PolarHBondContact O-N 3.38Å; N162-E165 WeakPolarHBondContact OD1-CG 3.39Å; N162-E165 PolarHBondContact OD1-N 3.46Å; E165-C167 PolarHBondContact O-N 2.98Å; E165-C167 VanDerWaalsContact O-N 3.11Å; E165-S168 PolarHBondContact O-N 3.35Å; E165-S168 PolarHBondContact O-OG 2.99Å; E165-K206 IonicContact OE1-NZ 3.06Å; E165-K206 IonicContact OE2-NZ 3.72Å |
| 166 | S | 82.5 | Confident | 75.6 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 11% | 0.112 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -64.2 | -16.9 | -179.1 | -53.5 | 0 | 0 | 0 | 0 | 113.6 | W142 Q161 N162 F164 | W142-S166 VanDerWaalsContact CH2-OG 3.26Å; W142-S166 WeakPolarHBondContact CH2-OG 3.33Å; Q161-S166 WeakPolarHBondContact CB-OG 3.45Å; N162-S166 WeakPolarHBondContact O-CB 3.46Å; N162-S166 PolarHBondContact O-N 3.39Å; N162-S166 VanDerWaalsContact O-N 3.14Å; N162-S166 PolarHBondContact O-OG 3.28Å; F164-S166 VanDerWaalsContact C-N 3.27Å; F164-S166 PolarHBondContact O-N 3.28Å |
| 167 | C | 82.3 | Confident | 77.2 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -135.3 | 17.9 | -176.7 | -82.1 | 0 | 0 | 0 | 0 | 113.8 | C122 A125 R126 L129 F164 E165 K169 S170 C173 | C122-C167 PolarHBondContact O-SG 3.48Å; C122-C167 VanDerWaalsContact O-SG 3.38Å; A125-C167 HydrophobicContact CB-CB 4.37Å; A125-C167 VanDerWaalsContact CB-SG 3.5Å; R126-C167 VanDerWaalsContact CG-SG 3.57Å; L129-C167 HydrophobicContact CD1-CB 3.46Å; L129-C167 VanDerWaalsContact CD1-CB 3.46Å; F164-C167 CarbonylContact O-C 3.59Å; F164-C167 PolarHBondContact O-N 2.9Å; F164-C167 VanDerWaalsContact O-N 3.11Å; E165-C167 PolarHBondContact O-N 2.98Å; E165-C167 VanDerWaalsContact O-N 3.11Å; C167-K169 PolarHBondContact O-N 3.47Å; C167-S170 WeakPolarHBondContact O-CB 3.46Å; C167-S170 PolarHBondContact O-N 3.47Å; C167-C173 PolarHBondContact O-SG 2.97Å |
| 168 | S | 82.5 | Confident | 78.9 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 51% | 0.51 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -23.3 | -174.1 | 53.5 | 0 | 0 | 0 | 0 | 115.2 | F164 E165 | F164-S168 WeakPolarHBondContact O-CA 3.45Å; F164-S168 PolarHBondContact O-N 3.44Å; E165-S168 PolarHBondContact O-N 3.35Å; E165-S168 PolarHBondContact O-OG 2.99Å |
| 169 | K | 83.6 | Confident | 80.5 | Confident | 204 Ų | 204 | 50.9 Ų | 50.9 | 89% | 0.887 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -11.2 | 176.2 | -61.6 | -179.9 | -178.2 | 175.8 | 0 | 114.4 | C167 | C167-K169 PolarHBondContact O-N 3.47Š|
| 170 | S | 87.8 | Confident | 81.8 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -76.1 | 144.7 | -178.4 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | E82 C167 L172 C173 | E82-S170 WeakPolarHBondContact OE1-CA 3.19Å; E82-S170 WeakPolarHBondContact OE1-CB 3.42Å; E82-S170 PolarHBondContact OE1-OG 3.1Å; C167-S170 WeakPolarHBondContact O-CB 3.46Å; C167-S170 PolarHBondContact O-N 3.47Å; S170-L172 PolarHBondContact O-N 3.04Å; S170-L172 WeakPolarHBondContact OG-CB 3.3Å; S170-L172 WeakPolarHBondContact OG-CG 3.38Å; S170-L172 PolarHBondContact OG-N 3.35Å; S170-C173 WeakPolarHBondContact O-CB 3.14Å; S170-C173 PolarHBondContact O-N 3.41Å |
| 171 | V | 85.9 | Confident | 82.9 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 11% | 0.109 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -68.7 | -24.6 | 174.3 | 177 | 0 | 0 | 0 | 0 | 111.3 | E82 K86 C173 K174 | E82-V171 WeakPolarHBondContact OE2-CB 3.48Å; E82-V171 WeakPolarHBondContact OE2-CG2 3.42Å; E82-V171 PolarHBondContact OE2-N 3.17Å; K86-V171 HydrophobicContact CD-CG2 3.84Å; K86-V171 HydrophobicContact CG-CB 4.09Å; K86-V171 HydrophobicContact CG-CG1 4Å; K86-V171 HydrophobicContact CG-CG2 3.26Å; V171-C173 PolarHBondContact O-N 2.9Å; V171-C173 VanDerWaalsContact O-N 3.16Å; V171-K174 WeakPolarHBondContact O-CB 3.39Å; V171-K174 PolarHBondContact O-N 2.74Å |
| 172 | L | 86.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -61 | -23.3 | 176.8 | -55.7 | 174.2 | 0 | 0 | 0 | 112.6 | C85 Y104 R126 L129 A130 S170 K174 W175 N176 | C85-L172 HydrophobicContact CB-CD2 4.3Å; Y104-L172 HydrophobicContact CD2-CD1 4.43Å; Y104-L172 HydrophobicContact CE2-CD1 3.74Å; R126-L172 HydrophobicContact CB-CD1 3.93Å; R126-L172 HydrophobicContact CG-CD1 4.15Å; L129-L172 HydrophobicContact CB-CB 3.77Å; L129-L172 HydrophobicContact CB-CD1 4.44Å; L129-L172 HydrophobicContact CD1-CB 4.22Å; A130-L172 HydrophobicContact CB-CD1 4.37Å; S170-L172 PolarHBondContact O-N 3.04Å; S170-L172 WeakPolarHBondContact OG-CB 3.3Å; S170-L172 WeakPolarHBondContact OG-CG 3.38Å; S170-L172 PolarHBondContact OG-N 3.35Å; L172-K174 PolarHBondContact O-N 2.74Å; L172-W175 HydrophobicContact CD2-CD2 4.31Å; L172-W175 HydrophobicContact CD2-CE3 3.62Å; L172-W175 HydrophobicContact CD2-CH2 3.63Å; L172-W175 HydrophobicContact CD2-CZ2 4.29Å; L172-W175 HydrophobicContact CD2-CZ3 3.24Å; L172-W175 PolarHBondContact O-N 3.48Å; L172-N176 PolarHBondContact O-ND2 3.22Å; L172-N176 VanDerWaalsContact O-ND2 3.09Å |
| 173 | C | 84.6 | Confident | 83.4 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 8% | 0.081 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -62.8 | -26.4 | 173.6 | -78 | 0 | 0 | 0 | 0 | 112.6 | F164 C167 S170 V171 W175 | F164-C173 HydrophobicContact CD2-CB 4.36Å; F164-C173 HydrophobicContact CE2-CB 3.59Å; F164-C173 HydrophobicContact CZ-CB 4.04Å; C167-C173 PolarHBondContact O-SG 2.97Å; S170-C173 WeakPolarHBondContact O-CB 3.14Å; S170-C173 PolarHBondContact O-N 3.41Å; V171-C173 PolarHBondContact O-N 2.9Å; V171-C173 VanDerWaalsContact O-N 3.16Å; C173-W175 PolarHBondContact O-N 2.99Å |
| 174 | K | 81.3 | Confident | 83.5 | Confident | 177 Ų | 177 | 47.5 Ų | 47.5 | 77% | 0.77 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -71.5 | -18.4 | 178.9 | -62.2 | -175 | 178.5 | -176.1 | 0 | 113.3 | V171 L172 | V171-K174 WeakPolarHBondContact O-CB 3.39Å; V171-K174 PolarHBondContact O-N 2.74Å; L172-K174 PolarHBondContact O-N 2.74Å |
| 175 | W | 77.5 | Confident | 83.7 | Confident | 32 Ų | 32 | 45 Ų | 45 | 12% | 0.121 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -89 | -3.8 | -174.1 | -58.8 | -15.7 | 0 | 0 | 0 | 113.9 | C85 L90 R97 L172 C173 | C85-W175 HydrophobicContact CB-CH2 3.61Å; C85-W175 HydrophobicContact CB-CZ2 3.52Å; C85-W175 WeakPolarHBondContact SG-CH2 3.3Å; L90-W175 HydrophobicContact CB-CH2 3.78Å; L90-W175 HydrophobicContact CB-CZ2 3.96Å; L90-W175 HydrophobicContact CB-CZ3 4.45Å; L90-W175 HydrophobicContact CD1-CH2 4.06Å; L90-W175 HydrophobicContact CG-CH2 4.32Å; L90-W175 HydrophobicContact CG-CZ2 4.47Å; R97-W175 HydrophobicContact CG-CZ3 4.24Å; L172-W175 HydrophobicContact CD2-CD2 4.31Å; L172-W175 HydrophobicContact CD2-CE3 3.62Å; L172-W175 HydrophobicContact CD2-CH2 3.63Å; L172-W175 HydrophobicContact CD2-CZ2 4.29Å; L172-W175 HydrophobicContact CD2-CZ3 3.24Å; L172-W175 PolarHBondContact O-N 3.48Å; C173-W175 PolarHBondContact O-N 2.99Å |
| 176 | N | 80.8 | Confident | 83.8 | Confident | 26 Ų | 26 | 42.5 Ų | 42.5 | 14% | 0.139 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -139.4 | 140.7 | -170.7 | -54.3 | -66 | 0 | 0 | 0 | 109.7 | R97 L129 G132 L172 L181 | R97-N176 PolarHBondContact NH2-OD1 2.88Å; L129-N176 PolarHBondContact O-ND2 3.32Å; G132-N176 WeakPolarHBondContact CA-OD1 3.21Å; L172-N176 PolarHBondContact O-ND2 3.22Å; L172-N176 VanDerWaalsContact O-ND2 3.09Å; N176-L181 HydrophobicContact CB-CD1 3.54Å; N176-L181 HydrophobicContact CB-CD2 4.41Å; N176-L181 HydrophobicContact CB-CG 4Å |
| 177 | R | 80.7 | Confident | 83.8 | Confident | 128 Ų | 128 | 44.5 Ų | 44.5 | 48% | 0.483 | 22% | 0.215 | S | C | . | . | trans | -77.2 | 136.3 | 171.7 | -63.4 | -178.9 | -65.3 | 173.3 | 16.8 | 108.9 | A179 D180 L181 E220 | R177-A179 VanDerWaalsContact C-N 3.3Å; R177-A179 PolarHBondContact O-N 3.4Å; R177-D180 HydrophobicContact CB-CB 4.47Å; R177-D180 IonicContact CZ-OD1 2.98Å; R177-D180 IonicContact CZ-OD2 2.92Å; R177-D180 VanDerWaalsContact CZ-OD2 3.29Å; R177-D180 IonicContact NE-OD1 2.89Å; R177-D180 IonicContact NE-OD2 3Å; R177-D180 PolarHBondContact NE-OD2 3.42Å; R177-D180 IonicContact NH2-OD1 3.29Å; R177-D180 PolarHBondContact NH2-OD1 3.2Å; R177-D180 IonicContact NH2-OD2 3.68Å; R177-D180 PolarHBondContact NH2-OD2 3.21Å; R177-D180 PolarHBondContact O-N 3.09Å; R177-L181 PolarHBondContact O-N 2.85Å; R177-E220 IonicContact CZ-OE1 3.68Å; R177-E220 IonicContact NH1-OE1 3.87Å; R177-E220 IonicContact NH2-OE1 2.72Å; R177-E220 PolarHBondContact NH2-OE1 2.97Å | ||
| 178 | V | 83.8 | Confident | 83.9 | Confident | 44 Ų | 44 | 46.1 Ų | 46.1 | 27% | 0.267 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.1 | -45.9 | -177.2 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | F164 D180 L181 L182 | F164-V178 HydrophobicContact CB-CG1 4.4Å; F164-V178 HydrophobicContact CD1-CG1 4.28Å; F164-V178 HydrophobicContact CD1-CG2 4.15Å; F164-V178 HydrophobicContact CD2-CG1 4.44Å; F164-V178 HydrophobicContact CD2-CG2 3.81Å; F164-V178 HydrophobicContact CE1-CG2 3.88Å; F164-V178 HydrophobicContact CE2-CG2 3.51Å; F164-V178 HydrophobicContact CG-CG1 4.12Å; F164-V178 HydrophobicContact CG-CG2 4.11Å; F164-V178 HydrophobicContact CZ-CG2 3.55Å; V178-D180 PolarHBondContact O-N 2.87Å; V178-L181 PolarHBondContact O-N 3.48Å; V178-L182 HydrophobicContact CG1-CD1 3.77Å; V178-L182 HydrophobicContact CG1-CG 4.17Å; V178-L182 VanDerWaalsContact O-CG 3.31Å; V178-L182 WeakPolarHBondContact O-CG 3.49Å; V178-L182 PolarHBondContact O-N 3.48Å |
| 179 | A | 83.7 | Confident | 83.8 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.4 | -50.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | R177 L181 L182 L183 V211 P216 | R177-A179 VanDerWaalsContact C-N 3.3Å; R177-A179 PolarHBondContact O-N 3.4Å; A179-L181 VanDerWaalsContact C-N 3.31Å; A179-L181 PolarHBondContact O-N 3.25Å; A179-L182 PolarHBondContact O-N 3.47Å; A179-L183 PolarHBondContact O-N 3.43Å; A179-V211 HydrophobicContact CB-CG1 4.32Å; A179-P216 HydrophobicContact CB-CB 3.73Å |
| 180 | D | 81.4 | Confident | 83.3 | Confident | 51 Ų | 51 | 35.4 Ų | 35.4 | 27% | 0.273 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.6 | -42.9 | -177.3 | -60.7 | -8.6 | 0 | 0 | 0 | 111.5 | R177 V178 M184 | R177-D180 HydrophobicContact CB-CB 4.47Å; R177-D180 IonicContact CZ-OD1 2.98Å; R177-D180 IonicContact CZ-OD2 2.92Å; R177-D180 VanDerWaalsContact CZ-OD2 3.29Å; R177-D180 IonicContact NE-OD1 2.89Å; R177-D180 IonicContact NE-OD2 3Å; R177-D180 PolarHBondContact NE-OD2 3.42Å; R177-D180 IonicContact NH2-OD1 3.29Å; R177-D180 PolarHBondContact NH2-OD1 3.2Å; R177-D180 IonicContact NH2-OD2 3.68Å; R177-D180 PolarHBondContact NH2-OD2 3.21Å; R177-D180 PolarHBondContact O-N 3.09Å; V178-D180 PolarHBondContact O-N 2.87Å; D180-M184 WeakPolarHBondContact O-CB 3.48Å; D180-M184 WeakPolarHBondContact O-CG 3.41Å; D180-M184 PolarHBondContact O-N 3.21Å |
| 181 | L | 84.7 | Confident | 82.7 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.7 | -41.6 | 179.8 | -71.4 | 171.8 | 0 | 0 | 0 | 112.7 | V128 L129 W139 N176 R177 V178 A179 M184 E185 | V128-L181 HydrophobicContact CG1-CD2 4.27Å; L129-L181 HydrophobicContact CD2-CD1 3.35Å; W139-L181 WeakPolarHBondContact CH2-O 3.25Å; N176-L181 HydrophobicContact CB-CD1 3.54Å; N176-L181 HydrophobicContact CB-CD2 4.41Å; N176-L181 HydrophobicContact CB-CG 4Å; R177-L181 PolarHBondContact O-N 2.85Å; V178-L181 PolarHBondContact O-N 3.48Å; A179-L181 VanDerWaalsContact C-N 3.31Å; A179-L181 PolarHBondContact O-N 3.25Å; L181-M184 PolarHBondContact O-N 2.92Å; L181-E185 PolarHBondContact O-N 2.9Å |
| 182 | L | 87.2 | Confident | 82 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 178.8 | -67 | 176.9 | 0 | 0 | 0 | 111 | N162 V178 A179 E185 V186 L207 D210 V211 | N162-L182 HydrophobicContact CB-CD2 3.56Å; N162-L182 VanDerWaalsContact CG-CD2 3.42Å; V178-L182 HydrophobicContact CG1-CD1 3.77Å; V178-L182 HydrophobicContact CG1-CG 4.17Å; V178-L182 VanDerWaalsContact O-CG 3.31Å; V178-L182 WeakPolarHBondContact O-CG 3.49Å; V178-L182 PolarHBondContact O-N 3.48Å; A179-L182 PolarHBondContact O-N 3.47Å; L182-E185 PolarHBondContact O-N 3.28Å; L182-V186 WeakPolarHBondContact O-CG2 3.38Å; L182-V186 PolarHBondContact O-N 3.06Å; L182-L207 HydrophobicContact CD2-CD2 3.56Å; L182-D210 HydrophobicContact CD1-CB 4.09Å; L182-V211 HydrophobicContact CB-CG2 3.38Å; L182-V211 HydrophobicContact CD1-CG2 4.06Å; L182-V211 HydrophobicContact CG-CG2 4.39Å |
| 183 | L | 84.5 | Confident | 81 | Confident | 23 Ų | 23 | 43 Ų | 43 | 12% | 0.12 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 173.6 | -75.4 | 171.6 | 0 | 0 | 0 | 111.9 | A179 E185 V186 F187 L208 V211 E220 E223 A224 | A179-L183 PolarHBondContact O-N 3.43Å; L183-E185 VanDerWaalsContact C-N 3.31Å; L183-E185 PolarHBondContact O-N 3.11Å; L183-V186 PolarHBondContact O-N 2.8Å; L183-F187 PolarHBondContact O-N 3.36Å; L183-L208 HydrophobicContact CD2-CD2 4.27Å; L183-V211 HydrophobicContact CD1-CG1 4.27Å; L183-V211 HydrophobicContact CD2-CG1 4.24Å; L183-V211 HydrophobicContact CD2-CG2 4.18Å; L183-V211 HydrophobicContact CG-CG1 4.02Å; L183-V211 HydrophobicContact CG-CG2 4.02Å; L183-E220 HydrophobicContact CD1-CB 3.73Å; L183-E220 HydrophobicContact CD1-CG 4.02Å; L183-E223 HydrophobicContact CD1-CB 4.43Å; L183-E223 HydrophobicContact CD2-CB 4.34Å; L183-A224 HydrophobicContact CD2-CB 4.22Å |
| 184 | M | 85 | Confident | 79.5 | Confident | 41 Ų | 41 | 45 Ų | 45 | 20% | 0.202 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 173.3 | -74 | -106.2 | 72.7 | 0 | 0 | 112 | W139 D180 L181 F187 W188 | W139-M184 HydrophobicContact CH2-CB 4Å; W139-M184 HydrophobicContact CZ2-CB 3.42Å; W139-M184 VanDerWaalsContact CZ2-CB 3.42Å; W139-M184 HydrophobicContact CZ2-CG 4.5Å; D180-M184 WeakPolarHBondContact O-CB 3.48Å; D180-M184 WeakPolarHBondContact O-CG 3.41Å; D180-M184 PolarHBondContact O-N 3.21Å; L181-M184 PolarHBondContact O-N 2.92Å; M184-F187 HydrophobicContact CE-CB 4.49Å; M184-F187 HydrophobicContact CE-CD1 3.77Å; M184-F187 HydrophobicContact CE-CE1 4.31Å; M184-F187 HydrophobicContact CE-CG 4.32Å; M184-F187 WeakPolarHBondContact O-CB 3.39Å; M184-F187 PolarHBondContact O-N 3.16Å; M184-W188 PolarHBondContact O-N 3.08Å |
| 185 | E | 88.5 | Confident | 78.5 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -45.9 | 176.3 | -171.2 | 170.2 | 176.4 | 0 | 0 | 110.9 | W139 W142 K146 V163 L181 L182 L183 F187 W188 L189 Y203 L207 | W139-E185 HydrophobicContact CH2-CB 3.73Å; W139-E185 HydrophobicContact CH2-CG 4.48Å; W139-E185 VanDerWaalsContact CZ3-CA 3.46Å; W139-E185 HydrophobicContact CZ3-CB 3.55Å; W139-E185 HydrophobicContact CZ3-CG 3.83Å; W142-E185 PolarHBondContact NE1-OE1 3.36Å; W142-E185 VanDerWaalsContact NE1-OE1 3.12Å; K146-E185 IonicContact NZ-OE1 2.69Å; K146-E185 PolarHBondContact NZ-OE1 2.7Å; V163-E185 WeakPolarHBondContact CG2-OE2 3.48Å; V163-E185 PolarHBondContact N-OE2 3.1Å; V163-E185 VanDerWaalsContact N-OE2 3.09Å; L181-E185 PolarHBondContact O-N 2.9Å; L182-E185 PolarHBondContact O-N 3.28Å; L183-E185 VanDerWaalsContact C-N 3.31Å; L183-E185 PolarHBondContact O-N 3.11Å; E185-F187 VanDerWaalsContact C-N 3.32Å; E185-F187 PolarHBondContact O-N 2.97Å; E185-W188 PolarHBondContact O-N 3.47Å; E185-L189 HydrophobicContact CG-CD1 4.07Å; E185-L189 HydrophobicContact CG-CG 4.47Å; E185-L189 WeakPolarHBondContact O-CB 3.16Å; E185-L189 WeakPolarHBondContact O-CD1 3.29Å; E185-L189 WeakPolarHBondContact O-CG 3.27Å; E185-L189 PolarHBondContact O-N 3.29Å; E185-Y203 VanDerWaalsContact CD-OH 3.31Å; E185-Y203 PolarHBondContact OE1-OH 3.37Å; E185-L207 HydrophobicContact CB-CD1 4.4Å; E185-L207 HydrophobicContact CG-CD1 4.01Å |
| 186 | V | 85 | Confident | 77.8 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 13% | 0.127 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.9 | -45.5 | 174.2 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | L182 L183 L189 G190 L207 L208 | L182-V186 WeakPolarHBondContact O-CG2 3.38Å; L182-V186 PolarHBondContact O-N 3.06Å; L183-V186 PolarHBondContact O-N 2.8Å; V186-L189 PolarHBondContact O-N 3.2Å; V186-G190 PolarHBondContact O-N 3.26Å; V186-L207 HydrophobicContact CG2-CB 3.74Å; V186-L207 HydrophobicContact CG2-CD1 3.85Å; V186-L207 HydrophobicContact CG2-CG 4.42Å; V186-L208 HydrophobicContact CG1-CD2 4.3Å; V186-L208 HydrophobicContact CG2-CD2 3.98Å; V186-L208 HydrophobicContact CG2-CG 4.08Å |
| 187 | F | 82.9 | Confident | 76.4 | Confident | 57 Ų | 57 | 41.5 Ų | 41.5 | 25% | 0.25 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.3 | -48.3 | 177.9 | 173.5 | -98.3 | 0 | 0 | 0 | 112.6 | L183 M184 E185 G190 K191 | L183-F187 PolarHBondContact O-N 3.36Å; M184-F187 HydrophobicContact CE-CB 4.49Å; M184-F187 HydrophobicContact CE-CD1 3.77Å; M184-F187 HydrophobicContact CE-CE1 4.31Å; M184-F187 HydrophobicContact CE-CG 4.32Å; M184-F187 WeakPolarHBondContact O-CB 3.39Å; M184-F187 PolarHBondContact O-N 3.16Å; E185-F187 VanDerWaalsContact C-N 3.32Å; E185-F187 PolarHBondContact O-N 2.97Å; F187-G190 WeakPolarHBondContact O-CA 3.2Å; F187-G190 PolarHBondContact O-N 3.01Å; F187-G190 VanDerWaalsContact O-N 3.17Å; F187-K191 HydrophobicContact CE1-CD 3.84Å; F187-K191 HydrophobicContact CE1-CG 4.43Å; F187-K191 HydrophobicContact CZ-CD 3.81Å; F187-K191 HydrophobicContact CZ-CG 4.36Å; F187-K191 PolarHBondContact O-N 3.37Å |
| 188 | W | 83.8 | Confident | 75.2 | Confident | 40 Ų | 40 | 38.2 Ų | 38.2 | 15% | 0.152 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.7 | -32.9 | -179.7 | -81.4 | 103.2 | 0 | 0 | 0 | 113.1 | P136 W139 I143 M184 E185 G190 K191 L192 | P136-W188 HydrophobicContact CB-CH2 3.45Å; P136-W188 VanDerWaalsContact CB-CH2 3.45Å; P136-W188 HydrophobicContact CB-CZ2 3.85Å; P136-W188 HydrophobicContact CB-CZ3 4.31Å; P136-W188 HydrophobicContact CG-CH2 3.84Å; P136-W188 HydrophobicContact CG-CZ2 3.9Å; W139-W188 HydrophobicContact CB-CB 4.25Å; W139-W188 HydrophobicContact CB-CD2 3.66Å; W139-W188 HydrophobicContact CB-CE3 4.17Å; W139-W188 HydrophobicContact CB-CG 3.67Å; W139-W188 AromaticContact CD1-CD1 3.38Å; W139-W188 AromaticContact CD1-CE2 3.62Å; W139-W188 AromaticContact CD1-NE1 3.08Å; W139-W188 HydrophobicContact CD2-CB 4.29Å; W139-W188 AromaticContact CD2-CD1 3.41Å; W139-W188 VanDerWaalsContact CD2-CD1 3.41Å; W139-W188 AromaticContact CD2-CG 3.87Å; W139-W188 HydrophobicContact CD2-CG 3.87Å; W139-W188 AromaticContact CD2-NE1 3.98Å; W139-W188 AromaticContact CE2-CD1 3.57Å; W139-W188 AromaticContact CE2-NE1 3.95Å; W139-W188 HydrophobicContact CE3-CB 4.25Å; W139-W188 HydrophobicContact CE3-CG 4.32Å; W139-W188 HydrophobicContact CG-CB 4.33Å; W139-W188 AromaticContact CG-CD1 3.29Å; W139-W188 AromaticContact CG-CD2 3.89Å; W139-W188 HydrophobicContact CG-CD2 3.89Å; W139-W188 AromaticContact CG-CE2 3.84Å; W139-W188 AromaticContact CG-CG 3.59Å; W139-W188 HydrophobicContact CG-CG 3.59Å; W139-W188 AromaticContact CG-NE1 3.45Å; W139-W188 AromaticContact NE1-CD1 3.5Å; W139-W188 AromaticContact NE1-NE1 3.37Å; I143-W188 HydrophobicContact CD1-CB 3.79Å; M184-W188 PolarHBondContact O-N 3.08Å; E185-W188 PolarHBondContact O-N 3.47Å; W188-G190 VanDerWaalsContact C-N 3.28Å; W188-K191 PolarHBondContact O-N 3.46Å; W188-L192 HydrophobicContact CE3-CD1 4.12Å; W188-L192 HydrophobicContact CE3-CG 4.44Å; W188-L192 WeakPolarHBondContact O-CB 3.33Å; W188-L192 PolarHBondContact O-N 2.92Å |
| 189 | L | 81 | Confident | 74 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 170.4 | -70.5 | 166.2 | 0 | 0 | 0 | 111.2 | I143 E185 V186 R193 V199 Y203 E204 L207 | I143-L189 HydrophobicContact CD1-CD2 4.01Å; I143-L189 HydrophobicContact CD1-CG 4.32Å; I143-L189 HydrophobicContact CG1-CD2 4Å; I143-L189 HydrophobicContact CG2-CD2 4.19Å; E185-L189 HydrophobicContact CG-CD1 4.07Å; E185-L189 HydrophobicContact CG-CG 4.47Å; E185-L189 WeakPolarHBondContact O-CB 3.16Å; E185-L189 WeakPolarHBondContact O-CD1 3.29Å; E185-L189 WeakPolarHBondContact O-CG 3.27Å; E185-L189 PolarHBondContact O-N 3.29Å; V186-L189 PolarHBondContact O-N 3.2Å; L189-R193 WeakPolarHBondContact O-CA 3.43Å; L189-R193 WeakPolarHBondContact O-CB 3.38Å; L189-R193 PolarHBondContact O-N 2.82Å; L189-V199 HydrophobicContact CD2-CG1 4.09Å; L189-V199 HydrophobicContact CD2-CG2 4.11Å; L189-Y203 HydrophobicContact CD1-CD1 3.93Å; L189-Y203 HydrophobicContact CD1-CE1 3.62Å; L189-E204 HydrophobicContact CD1-CG 4.45Å; L189-L207 HydrophobicContact CD1-CD1 3.68Å |
| 190 | G | 73.7 | Confident | 72.9 | Confident | 43 Ų | 43 | 41.1 Ų | 41.1 | 44% | 0.443 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.7 | -56.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V186 F187 W188 L192 R193 | V186-G190 PolarHBondContact O-N 3.26Å; F187-G190 WeakPolarHBondContact O-CA 3.2Å; F187-G190 PolarHBondContact O-N 3.01Å; F187-G190 VanDerWaalsContact O-N 3.17Å; W188-G190 VanDerWaalsContact C-N 3.28Å; G190-L192 VanDerWaalsContact C-N 3.31Å; G190-L192 PolarHBondContact O-N 3.44Å; G190-R193 WeakPolarHBondContact O-CB 3.17Å; G190-R193 PolarHBondContact O-N 3.26Å |
| 191 | K | 73.7 | Confident | 72.3 | Confident | 91 Ų | 91 | 41.7 Ų | 41.7 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.4 | -35.6 | -179.8 | -80.8 | -164.7 | 167.3 | -174 | 0 | 113.5 | F187 W188 E351 | F187-K191 HydrophobicContact CE1-CD 3.84Å; F187-K191 HydrophobicContact CE1-CG 4.43Å; F187-K191 HydrophobicContact CZ-CD 3.81Å; F187-K191 HydrophobicContact CZ-CG 4.36Å; F187-K191 PolarHBondContact O-N 3.37Å; W188-K191 PolarHBondContact O-N 3.46Å; K191-E351 IonicContact NZ-OE1 3.71Å; K191-E351 PolarHBondContact NZ-OE1 2.81Å; K191-E351 IonicContact NZ-OE2 3.65Å; K191-E351 PolarHBondContact NZ-OE2 3.13Å |
| 192 | L | 71.4 | Confident | 71.8 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -100 | 6 | -175.6 | -67.1 | 169.1 | 0 | 0 | 0 | 114 | K140 I143 W188 G190 S194 S195 F196 | K140-L192 HydrophobicContact CB-CD1 4.29Å; K140-L192 HydrophobicContact CG-CD1 4.43Å; I143-L192 HydrophobicContact CD1-CD1 3.72Å; W188-L192 HydrophobicContact CE3-CD1 4.12Å; W188-L192 HydrophobicContact CE3-CG 4.44Å; W188-L192 WeakPolarHBondContact O-CB 3.33Å; W188-L192 PolarHBondContact O-N 2.92Å; G190-L192 VanDerWaalsContact C-N 3.31Å; G190-L192 PolarHBondContact O-N 3.44Å; L192-S194 PolarHBondContact O-N 2.97Å; L192-S194 VanDerWaalsContact O-N 3.11Å; L192-S195 WeakPolarHBondContact O-CA 3.24Å; L192-S195 WeakPolarHBondContact O-CB 3.41Å; L192-S195 PolarHBondContact O-N 3.24Å; L192-F196 HydrophobicContact CB-CD2 4.18Å; L192-F196 HydrophobicContact CB-CE2 4.38Å; L192-F196 PolarHBondContact O-N 2.81Å |
| 193 | R | 66.2 | Low | 71.3 | Confident | 70 Ų | 70 | 48.5 Ų | 48.5 | 26% | 0.264 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -33.5 | -178.8 | -170.9 | 176 | -87.8 | -166.2 | -9.7 | 112.5 | L189 G190 S195 F196 E204 | L189-R193 WeakPolarHBondContact O-CA 3.43Å; L189-R193 WeakPolarHBondContact O-CB 3.38Å; L189-R193 PolarHBondContact O-N 2.82Å; G190-R193 WeakPolarHBondContact O-CB 3.17Å; G190-R193 PolarHBondContact O-N 3.26Å; R193-S195 VanDerWaalsContact C-N 3.29Å; R193-S195 PolarHBondContact O-N 3.06Å; R193-F196 CarbonylContact O-C 3.56Å; R193-F196 VanDerWaalsContact O-C 3.3Å; R193-F196 PolarHBondContact O-N 2.96Å; R193-E204 IonicContact CZ-OE1 2.78Å; R193-E204 IonicContact CZ-OE2 2.64Å; R193-E204 IonicContact NE-OE1 3.93Å; R193-E204 IonicContact NH2-OE1 2.76Å; R193-E204 PolarHBondContact NH2-OE1 3.03Å; R193-E204 IonicContact NH2-OE2 3.93Å; R193-E204 PolarHBondContact NH2-OE2 3.36Å |
| 194 | S | 53.6 | Low | 71.1 | Confident | 56 Ų | 56 | 47.7 Ų | 47.7 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -36.4 | 174.7 | 61.2 | 0 | 0 | 0 | 0 | 113 | L192 | L192-S194 PolarHBondContact O-N 2.97Å; L192-S194 VanDerWaalsContact O-N 3.11Å |
| 195 | S | 59.7 | Low | 70.9 | Confident | 66 Ų | 66 | 49.3 Ų | 49.3 | 46% | 0.462 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -23.7 | 179.2 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | L192 R193 | L192-S195 WeakPolarHBondContact O-CA 3.24Å; L192-S195 WeakPolarHBondContact O-CB 3.41Å; L192-S195 PolarHBondContact O-N 3.24Å; R193-S195 VanDerWaalsContact C-N 3.29Å; R193-S195 PolarHBondContact O-N 3.06Å |
| 196 | F | 61.5 | Low | 70.7 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | trans | -139.4 | 67.4 | -173.7 | -51.8 | -76.8 | 0 | 0 | 0 | 112.5 | I143 N144 Y147 L192 R193 S198 V199 | I143-F196 HydrophobicContact CG2-CD2 3.55Å; I143-F196 HydrophobicContact CG2-CE2 3.8Å; I143-F196 HydrophobicContact CG2-CG 4.11Å; N144-F196 HydrophobicContact CB-CE1 4.19Å; N144-F196 HydrophobicContact CB-CZ 3.78Å; Y147-F196 AromaticContact CD1-CD1 3.64Å; Y147-F196 HydrophobicContact CD1-CD1 3.64Å; Y147-F196 HydrophobicContact CD1-CE1 4.02Å; Y147-F196 HydrophobicContact CE1-CD1 4.23Å; Y147-F196 AromaticContact CG-CD1 3.92Å; Y147-F196 HydrophobicContact CG-CD1 3.92Å; L192-F196 HydrophobicContact CB-CD2 4.18Å; L192-F196 HydrophobicContact CB-CE2 4.38Å; L192-F196 PolarHBondContact O-N 2.81Å; R193-F196 CarbonylContact O-C 3.56Å; R193-F196 VanDerWaalsContact O-C 3.3Å; R193-F196 PolarHBondContact O-N 2.96Å; F196-S198 PolarHBondContact O-N 3.36Å; F196-V199 HydrophobicContact CB-CG2 4.26Å; F196-V199 WeakPolarHBondContact O-CG2 3.44Å; F196-V199 PolarHBondContact O-N 3.45Å | ||
| 197 | P | 53.4 | Low | 70.7 | Confident | 75 Ų | 75 | 51.7 Ų | 51.7 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -6.2 | -173 | 25 | -34 | 0 | 0 | 0 | 115.4 | V199 | P197-V199 VanDerWaalsContact C-N 3.33Š|
| 198 | S | 54 | Low | 70.9 | Confident | 59 Ų | 59 | 49 Ų | 49 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.8 | 177.6 | 51 | 0 | 0 | 0 | 0 | 114 | Y147 F196 T200 | Y147-S198 WeakPolarHBondContact CD2-OG 3.4Å; Y147-S198 WeakPolarHBondContact CE2-OG 3.31Å; F196-S198 PolarHBondContact O-N 3.36Å; S198-T200 PolarHBondContact O-N 3.17Å; S198-T200 VanDerWaalsContact O-N 3.1Å |
| 199 | V | 58.4 | Low | 70.9 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | trans | -65.6 | 110.7 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | L189 F196 P197 Y203 | L189-V199 HydrophobicContact CD2-CG1 4.09Å; L189-V199 HydrophobicContact CD2-CG2 4.11Å; F196-V199 HydrophobicContact CB-CG2 4.26Å; F196-V199 WeakPolarHBondContact O-CG2 3.44Å; F196-V199 PolarHBondContact O-N 3.45Å; P197-V199 VanDerWaalsContact C-N 3.33Å; V199-Y203 HydrophobicContact CG1-CD1 4.3Å | ||
| 200 | T | 60.7 | Low | 71.2 | Confident | 79 Ų | 79 | 49.8 Ų | 49.8 | 49% | 0.485 | 28% | 0.28 | S | S | . | . | trans | -77.6 | 142.5 | -177.1 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | S198 I202 Y203 | S198-T200 PolarHBondContact O-N 3.17Å; S198-T200 VanDerWaalsContact O-N 3.1Å; T200-I202 PolarHBondContact O-N 2.67Å; T200-Y203 WeakPolarHBondContact O-CB 3.08Å; T200-Y203 PolarHBondContact O-N 3.35Å | ||
| 201 | N | 69.9 | Low | 71.8 | Confident | 62 Ų | 62 | 47.7 Ų | 47.7 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -50.4 | -27.5 | 170.6 | -69.6 | -13.2 | 0 | 0 | 0 | 113.4 | Y203 E204 F205 L231 | N201-Y203 VanDerWaalsContact C-N 3.28Å; N201-Y203 PolarHBondContact O-N 3.05Å; N201-E204 PolarHBondContact O-N 2.98Å; N201-F205 WeakPolarHBondContact O-CB 3.41Å; N201-F205 PolarHBondContact O-N 2.71Å; N201-L231 HydrophobicContact CB-CD2 3.71Å |
| 202 | I | 72.8 | Confident | 72.5 | Confident | 134 Ų | 134 | 45.8 Ų | 45.8 | 69% | 0.687 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.2 | -38.3 | 176.5 | -59.3 | 172.3 | 0 | 0 | 0 | 111.4 | T200 K206 | T200-I202 PolarHBondContact O-N 2.67Å; I202-K206 PolarHBondContact O-N 3.2Å |
| 203 | Y | 77.5 | Confident | 73.2 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.6 | -44.3 | -179.3 | 178 | -110 | 0 | 0 | 0 | 111.8 | K146 E185 L189 V199 T200 N201 F205 K206 L207 | K146-Y203 PolarHBondContact NZ-OH 3.35Å; E185-Y203 VanDerWaalsContact CD-OH 3.31Å; E185-Y203 PolarHBondContact OE1-OH 3.37Å; L189-Y203 HydrophobicContact CD1-CD1 3.93Å; L189-Y203 HydrophobicContact CD1-CE1 3.62Å; V199-Y203 HydrophobicContact CG1-CD1 4.3Å; T200-Y203 WeakPolarHBondContact O-CB 3.08Å; T200-Y203 PolarHBondContact O-N 3.35Å; N201-Y203 VanDerWaalsContact C-N 3.28Å; N201-Y203 PolarHBondContact O-N 3.05Å; Y203-F205 VanDerWaalsContact C-N 3.29Å; Y203-F205 PolarHBondContact O-N 2.7Å; Y203-K206 WeakPolarHBondContact O-CB 3.19Å; Y203-K206 PolarHBondContact O-N 3.49Å; Y203-L207 HydrophobicContact CD1-CD1 3.91Å; Y203-L207 HydrophobicContact CE1-CD1 3.25Å; Y203-L207 HydrophobicContact CE1-CG 3.88Å; Y203-L207 HydrophobicContact CE2-CD1 4.46Å; Y203-L207 HydrophobicContact CE2-CG 4.2Å; Y203-L207 PolarHBondContact O-N 3.4Å; Y203-L207 WeakPolarHBondContact OH-CD2 3.27Å |
| 204 | E | 80.1 | Confident | 74 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.028 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 174.9 | -66.2 | 176.8 | 178.7 | 0 | 0 | 111.4 | L189 R193 N201 K206 L207 L208 L231 | L189-E204 HydrophobicContact CD1-CG 4.45Å; R193-E204 IonicContact CZ-OE1 2.78Å; R193-E204 IonicContact CZ-OE2 2.64Å; R193-E204 IonicContact NE-OE1 3.93Å; R193-E204 IonicContact NH2-OE1 2.76Å; R193-E204 PolarHBondContact NH2-OE1 3.03Å; R193-E204 IonicContact NH2-OE2 3.93Å; R193-E204 PolarHBondContact NH2-OE2 3.36Å; N201-E204 PolarHBondContact O-N 2.98Å; E204-K206 VanDerWaalsContact C-N 3.35Å; E204-K206 PolarHBondContact O-N 2.86Å; E204-L207 PolarHBondContact O-N 3.13Å; E204-L208 WeakPolarHBondContact O-CG 3.47Å; E204-L208 PolarHBondContact O-N 3.16Å; E204-L231 HydrophobicContact CB-CD1 3.6Å; E204-L231 HydrophobicContact CB-CD2 4.07Å; E204-L231 HydrophobicContact CB-CG 4.46Å |
| 205 | F | 81.6 | Confident | 75.2 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 33% | 0.329 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 173.8 | -166.8 | -86.1 | 0 | 0 | 0 | 111.7 | N201 Y203 T209 L228 | N201-F205 WeakPolarHBondContact O-CB 3.41Å; N201-F205 PolarHBondContact O-N 2.71Å; Y203-F205 VanDerWaalsContact C-N 3.29Å; Y203-F205 PolarHBondContact O-N 2.7Å; F205-T209 WeakPolarHBondContact O-CB 3.43Å; F205-T209 PolarHBondContact O-N 3.47Å; F205-T209 PolarHBondContact O-OG1 3.48Å; F205-L228 HydrophobicContact CD2-CD2 3.67Å; F205-L228 HydrophobicContact CE2-CD2 3.69Å; F205-L228 HydrophobicContact CG-CD2 4.24Å; F205-L228 HydrophobicContact CZ-CD2 4.28Å |
| 206 | K | 84 | Confident | 76.4 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.1 | -50.6 | 174.2 | -173.6 | -167.9 | 168 | -162.4 | 0 | 111 | N160 E165 I202 Y203 E204 L208 T209 D210 | N160-K206 PolarHBondContact O-NZ 3.31Å; E165-K206 IonicContact OE1-NZ 3.06Å; E165-K206 IonicContact OE2-NZ 3.72Å; I202-K206 PolarHBondContact O-N 3.2Å; Y203-K206 WeakPolarHBondContact O-CB 3.19Å; Y203-K206 PolarHBondContact O-N 3.49Å; E204-K206 VanDerWaalsContact C-N 3.35Å; E204-K206 PolarHBondContact O-N 2.86Å; K206-L208 VanDerWaalsContact C-N 3.34Å; K206-L208 PolarHBondContact O-N 3.4Å; K206-T209 WeakPolarHBondContact O-CB 3.35Å; K206-T209 PolarHBondContact O-N 3.15Å; K206-T209 VanDerWaalsContact O-N 3.16Å; K206-D210 WeakPolarHBondContact CE-OD2 3.4Å; K206-D210 VanDerWaalsContact O-CG 3.28Å; K206-D210 PolarHBondContact O-N 3.18Å |
| 207 | L | 84.3 | Confident | 77.6 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53.3 | -49.9 | 178.6 | -85.2 | 171.2 | 0 | 0 | 0 | 111.9 | N162 L182 E185 V186 L189 Y203 E204 T209 D210 V211 | N162-L207 HydrophobicContact CB-CD2 3.6Å; L182-L207 HydrophobicContact CD2-CD2 3.56Å; E185-L207 HydrophobicContact CB-CD1 4.4Å; E185-L207 HydrophobicContact CG-CD1 4.01Å; V186-L207 HydrophobicContact CG2-CB 3.74Å; V186-L207 HydrophobicContact CG2-CD1 3.85Å; V186-L207 HydrophobicContact CG2-CG 4.42Å; L189-L207 HydrophobicContact CD1-CD1 3.68Å; Y203-L207 HydrophobicContact CD1-CD1 3.91Å; Y203-L207 HydrophobicContact CE1-CD1 3.25Å; Y203-L207 HydrophobicContact CE1-CG 3.88Å; Y203-L207 HydrophobicContact CE2-CD1 4.46Å; Y203-L207 HydrophobicContact CE2-CG 4.2Å; Y203-L207 PolarHBondContact O-N 3.4Å; Y203-L207 WeakPolarHBondContact OH-CD2 3.27Å; E204-L207 PolarHBondContact O-N 3.13Å; L207-T209 VanDerWaalsContact C-N 3.34Å; L207-T209 PolarHBondContact O-N 3.08Å; L207-D210 PolarHBondContact O-N 2.98Å; L207-V211 WeakPolarHBondContact O-CG2 3.49Å; L207-V211 PolarHBondContact O-N 2.68Å |
| 208 | L | 86.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67 | -36 | -179.5 | -68.4 | 169.5 | 0 | 0 | 0 | 112.5 | L183 V186 E204 K206 D210 V211 L212 A224 A227 L228 L231 | L183-L208 HydrophobicContact CD2-CD2 4.27Å; V186-L208 HydrophobicContact CG1-CD2 4.3Å; V186-L208 HydrophobicContact CG2-CD2 3.98Å; V186-L208 HydrophobicContact CG2-CG 4.08Å; E204-L208 WeakPolarHBondContact O-CG 3.47Å; E204-L208 PolarHBondContact O-N 3.16Å; K206-L208 VanDerWaalsContact C-N 3.34Å; K206-L208 PolarHBondContact O-N 3.4Å; L208-D210 VanDerWaalsContact C-N 3.3Å; L208-D210 PolarHBondContact O-N 2.91Å; L208-V211 WeakPolarHBondContact O-CB 3.37Å; L208-V211 PolarHBondContact O-N 3.08Å; L208-L212 WeakPolarHBondContact O-CG 3.46Å; L208-L212 PolarHBondContact O-N 3.12Å; L208-L212 VanDerWaalsContact O-N 3.13Å; L208-A224 HydrophobicContact CD2-CB 4.26Å; L208-A227 HydrophobicContact CD1-CB 3.66Å; L208-A227 HydrophobicContact CD2-CB 3.69Å; L208-A227 HydrophobicContact CG-CB 4.35Å; L208-L228 HydrophobicContact CB-CD1 4.26Å; L208-L228 HydrophobicContact CB-CD2 3.65Å; L208-L228 HydrophobicContact CB-CG 3.69Å; L208-L228 HydrophobicContact CD1-CD2 3.93Å; L208-L228 HydrophobicContact CD1-CG 3.93Å; L208-L228 HydrophobicContact CG-CD2 4.46Å; L208-L228 HydrophobicContact CG-CG 4.41Å; L208-L231 HydrophobicContact CD1-CD1 3.39Å |
| 209 | T | 85.4 | Confident | 80.7 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 26% | 0.258 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 172.9 | -54.4 | 0 | 0 | 0 | 0 | 111 | F205 K206 L207 L212 K213 | F205-T209 WeakPolarHBondContact O-CB 3.43Å; F205-T209 PolarHBondContact O-N 3.47Å; F205-T209 PolarHBondContact O-OG1 3.48Å; K206-T209 WeakPolarHBondContact O-CB 3.35Å; K206-T209 PolarHBondContact O-N 3.15Å; K206-T209 VanDerWaalsContact O-N 3.16Å; L207-T209 VanDerWaalsContact C-N 3.34Å; L207-T209 PolarHBondContact O-N 3.08Å; T209-L212 PolarHBondContact O-N 3.26Å; T209-K213 WeakPolarHBondContact O-CG 3.5Å; T209-K213 PolarHBondContact O-N 3.01Å; T209-K213 VanDerWaalsContact O-N 3.08Å |
| 210 | D | 85.7 | Confident | 82 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.4 | -32.8 | 177.3 | -66 | -21.9 | 0 | 0 | 0 | 111.8 | L182 K206 L207 L208 L212 K213 S214 | L182-D210 HydrophobicContact CD1-CB 4.09Å; K206-D210 WeakPolarHBondContact CE-OD2 3.4Å; K206-D210 VanDerWaalsContact O-CG 3.28Å; K206-D210 PolarHBondContact O-N 3.18Å; L207-D210 PolarHBondContact O-N 2.98Å; L208-D210 VanDerWaalsContact C-N 3.3Å; L208-D210 PolarHBondContact O-N 2.91Å; D210-L212 PolarHBondContact O-N 3.32Å; D210-K213 PolarHBondContact O-N 3.44Å; D210-K213 IonicContact OD1-NZ 2.69Å; D210-K213 PolarHBondContact OD1-NZ 3.39Å; D210-S214 PolarHBondContact O-N 2.98Å |
| 211 | V | 87.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.3 | -52.1 | 167.4 | 176 | 0 | 0 | 0 | 0 | 109.5 | A179 L182 L183 L207 L208 K213 S214 P216 A224 | A179-V211 HydrophobicContact CB-CG1 4.32Å; L182-V211 HydrophobicContact CB-CG2 3.38Å; L182-V211 HydrophobicContact CD1-CG2 4.06Å; L182-V211 HydrophobicContact CG-CG2 4.39Å; L183-V211 HydrophobicContact CD1-CG1 4.27Å; L183-V211 HydrophobicContact CD2-CG1 4.24Å; L183-V211 HydrophobicContact CD2-CG2 4.18Å; L183-V211 HydrophobicContact CG-CG1 4.02Å; L183-V211 HydrophobicContact CG-CG2 4.02Å; L207-V211 WeakPolarHBondContact O-CG2 3.49Å; L207-V211 PolarHBondContact O-N 2.68Å; L208-V211 WeakPolarHBondContact O-CB 3.37Å; L208-V211 PolarHBondContact O-N 3.08Å; V211-K213 VanDerWaalsContact C-N 3.28Å; V211-K213 PolarHBondContact O-N 2.85Å; V211-S214 WeakPolarHBondContact O-CB 3.49Å; V211-S214 PolarHBondContact O-N 3.32Å; V211-S214 PolarHBondContact O-OG 2.93Å; V211-P216 HydrophobicContact CG1-CB 4.37Å; V211-P216 HydrophobicContact CG1-CG 4.33Å; V211-P216 VanDerWaalsContact O-CD 3.24Å; V211-P216 WeakPolarHBondContact O-CD 3.46Å; V211-P216 WeakPolarHBondContact O-CG 3.42Å; V211-A224 HydrophobicContact CB-CB 4.13Å; V211-A224 HydrophobicContact CG1-CB 3.75Å |
| 212 | L | 87.5 | Confident | 84.5 | Confident | 51 Ų | 51 | 53 Ų | 53 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.6 | -33.5 | -178.6 | -66.7 | 177 | 0 | 0 | 0 | 113.2 | L208 T209 D210 S214 R221 A224 L225 L228 | L208-L212 WeakPolarHBondContact O-CG 3.46Å; L208-L212 PolarHBondContact O-N 3.12Å; L208-L212 VanDerWaalsContact O-N 3.13Å; T209-L212 PolarHBondContact O-N 3.26Å; D210-L212 PolarHBondContact O-N 3.32Å; L212-S214 VanDerWaalsContact C-N 3.32Å; L212-R221 HydrophobicContact CD2-CG 3.8Å; L212-A224 HydrophobicContact CD2-CB 3.89Å; L212-A224 HydrophobicContact CG-CB 4.18Å; L212-L225 HydrophobicContact CD1-CD2 4.14Å; L212-L225 HydrophobicContact CD2-CD2 4.46Å; L212-L225 HydrophobicContact CD2-CG 4.17Å; L212-L228 HydrophobicContact CD1-CD1 3.54Å |
| 213 | K | 86.7 | Confident | 85.2 | Confident | 143 Ų | 143 | 48.3 Ų | 48.3 | 62% | 0.622 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -71.4 | -25.3 | 175 | -71.1 | 172.1 | -172 | 158.8 | 0 | 113.4 | T209 D210 V211 Q215 | T209-K213 WeakPolarHBondContact O-CG 3.5Å; T209-K213 PolarHBondContact O-N 3.01Å; T209-K213 VanDerWaalsContact O-N 3.08Å; D210-K213 PolarHBondContact O-N 3.44Å; D210-K213 IonicContact OD1-NZ 2.69Å; D210-K213 PolarHBondContact OD1-NZ 3.39Å; V211-K213 VanDerWaalsContact C-N 3.28Å; V211-K213 PolarHBondContact O-N 2.85Å; K213-Q215 PolarHBondContact O-N 3.29Å |
| 214 | S | 82.6 | Confident | 85.8 | Confident | 42 Ų | 42 | 47.5 Ų | 47.5 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 12.4 | -176.4 | 72.7 | 0 | 0 | 0 | 0 | 114.9 | D210 V211 L212 | D210-S214 PolarHBondContact O-N 2.98Å; V211-S214 WeakPolarHBondContact O-CB 3.49Å; V211-S214 PolarHBondContact O-N 3.32Å; V211-S214 PolarHBondContact O-OG 2.93Å; L212-S214 VanDerWaalsContact C-N 3.32Å |
| 215 | Q | 80.2 | Confident | 86.3 | Confident | 184 Ų | 184 | 47.6 Ų | 47.6 | 86% | 0.86 | 23% | 0.234 | S | C | * | . | trans | 47.6 | 57.2 | -173.3 | -61.9 | -175.7 | -8.8 | 0 | 0 | 112.1 | K213 | K213-Q215 PolarHBondContact O-N 3.29Š| ||
| 216 | P | 84 | Confident | 86.7 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 13% | 0.13 | 22% | 0.22 | C | C | . | . | trans | -64.6 | 156.2 | -178 | 28.3 | -32.6 | 0 | 0 | 0 | 110.4 | A179 V211 E220 R221 | A179-P216 HydrophobicContact CB-CB 3.73Å; V211-P216 HydrophobicContact CG1-CB 4.37Å; V211-P216 HydrophobicContact CG1-CG 4.33Å; V211-P216 VanDerWaalsContact O-CD 3.24Å; V211-P216 WeakPolarHBondContact O-CD 3.46Å; V211-P216 WeakPolarHBondContact O-CG 3.42Å; P216-E220 HydrophobicContact CB-CB 3.83Å; P216-R221 HydrophobicContact CG-CB 3.94Å; P216-R221 HydrophobicContact CG-CG 4.48Å | ||
| 217 | L | 86.1 | Confident | 86.8 | Confident | 92 Ų | 92 | 41.6 Ų | 41.6 | 48% | 0.482 | 21% | 0.212 | S | C | . | . | trans | -58.6 | 158.1 | 167.1 | -80.6 | -175.6 | 0 | 0 | 0 | 110.2 | L219 E220 R221 | L217-L219 VanDerWaalsContact C-N 3.26Å; L217-L219 PolarHBondContact O-N 3.34Å; L217-L219 VanDerWaalsContact O-N 3.15Å; L217-E220 WeakPolarHBondContact CB-OE2 3.34Å; L217-E220 PolarHBondContact O-N 3.42Å; L217-R221 PolarHBondContact O-N 2.83Å | ||
| 218 | P | 87 | Confident | 87 | Confident | 61 Ų | 61 | 41.6 Ų | 41.6 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -53.1 | -38.2 | -174.1 | -31.7 | 38.1 | 0 | 0 | 0 | 114.9 | R221 A222 V253 V257 | P218-R221 WeakPolarHBondContact O-CB 3.47Å; P218-R221 PolarHBondContact O-N 3.31Å; P218-A222 PolarHBondContact O-N 3.11Å; P218-V253 HydrophobicContact CB-CG1 4.13Å; P218-V253 WeakPolarHBondContact O-CG1 3.39Å; P218-V257 HydrophobicContact CB-CG2 3.53Å |
| 219 | L | 86.1 | Confident | 87 | Confident | 34 Ų | 34 | 41.6 Ų | 41.6 | 18% | 0.178 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.6 | -47.3 | -178.5 | -178.8 | 68.3 | 0 | 0 | 0 | 111.8 | L217 R221 A222 E223 L254 S262 R263 | L217-L219 VanDerWaalsContact C-N 3.26Å; L217-L219 PolarHBondContact O-N 3.34Å; L217-L219 VanDerWaalsContact O-N 3.15Å; L219-R221 VanDerWaalsContact C-N 3.26Å; L219-R221 PolarHBondContact O-N 3.29Å; L219-A222 WeakPolarHBondContact O-CB 3.18Å; L219-A222 PolarHBondContact O-N 3.25Å; L219-A222 VanDerWaalsContact O-N 3.1Å; L219-E223 PolarHBondContact O-N 3.45Å; L219-L254 HydrophobicContact CD1-CD2 4.46Å; L219-S262 VanDerWaalsContact CD2-CB 3.43Å; L219-R263 HydrophobicContact CD1-CB 4.38Å |
| 220 | E | 86.3 | Confident | 86.8 | Confident | 22 Ų | 22 | 40.8 Ų | 40.8 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -35.8 | 176.6 | -66.9 | 89.4 | 147.5 | 0 | 0 | 110.8 | R177 L183 P216 L217 E223 A224 | R177-E220 IonicContact CZ-OE1 3.68Å; R177-E220 IonicContact NH1-OE1 3.87Å; R177-E220 IonicContact NH2-OE1 2.72Å; R177-E220 PolarHBondContact NH2-OE1 2.97Å; L183-E220 HydrophobicContact CD1-CB 3.73Å; L183-E220 HydrophobicContact CD1-CG 4.02Å; P216-E220 HydrophobicContact CB-CB 3.83Å; L217-E220 WeakPolarHBondContact CB-OE2 3.34Å; L217-E220 PolarHBondContact O-N 3.42Å; E220-E223 PolarHBondContact O-N 2.92Å; E220-A224 WeakPolarHBondContact O-CB 3.33Å; E220-A224 PolarHBondContact O-N 3.28Å |
| 221 | R | 90.5 | Very high | 86.5 | Confident | 93 Ų | 93 | 40 Ų | 40 | 35% | 0.351 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 171.4 | -173.2 | 179 | 172.4 | 133.8 | -4.6 | 111.4 | L212 P216 L217 P218 L219 A224 L225 E249 V253 | L212-R221 HydrophobicContact CD2-CG 3.8Å; P216-R221 HydrophobicContact CG-CB 3.94Å; P216-R221 HydrophobicContact CG-CG 4.48Å; L217-R221 PolarHBondContact O-N 2.83Å; P218-R221 WeakPolarHBondContact O-CB 3.47Å; P218-R221 PolarHBondContact O-N 3.31Å; L219-R221 VanDerWaalsContact C-N 3.26Å; L219-R221 PolarHBondContact O-N 3.29Å; R221-A224 PolarHBondContact O-N 3.08Å; R221-L225 HydrophobicContact CG-CD1 4.13Å; R221-L225 WeakPolarHBondContact O-CD1 3.49Å; R221-L225 WeakPolarHBondContact O-CG 3.43Å; R221-L225 PolarHBondContact O-N 2.93Å; R221-L225 VanDerWaalsContact O-N 3.1Å; R221-E249 IonicContact CZ-OE1 3.25Å; R221-E249 IonicContact NE-OE1 3.31Å; R221-E249 IonicContact NH2-OE1 2.68Å; R221-E249 PolarHBondContact NH2-OE1 3.22Å; R221-V253 HydrophobicContact CB-CG1 4.25Å; R221-V253 HydrophobicContact CG-CG1 4.4Å; R221-V253 HydrophobicContact CG-CG2 4.36Å |
| 222 | A | 91 | Very high | 86.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | P218 L219 A224 L225 I226 V253 L254 | P218-A222 PolarHBondContact O-N 3.11Å; L219-A222 WeakPolarHBondContact O-CB 3.18Å; L219-A222 PolarHBondContact O-N 3.25Å; L219-A222 VanDerWaalsContact O-N 3.1Å; A222-A224 VanDerWaalsContact C-N 3.35Å; A222-A224 PolarHBondContact O-N 3.14Å; A222-L225 PolarHBondContact O-N 3.31Å; A222-I226 VanDerWaalsContact O-CG1 3.3Å; A222-I226 WeakPolarHBondContact O-CG1 3.13Å; A222-I226 PolarHBondContact O-N 3.43Å; A222-V253 HydrophobicContact CB-CG1 4.24Å; A222-L254 HydrophobicContact CB-CD1 4.22Å; A222-L254 HydrophobicContact CB-CD2 3.63Å; A222-L254 HydrophobicContact CB-CG 3.63Å |
| 223 | E | 89.1 | Confident | 85.3 | Confident | 36 Ų | 36 | 38 Ų | 38 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 175.6 | -72.5 | -168 | 151.7 | 0 | 0 | 112.3 | L183 L219 E220 L225 I226 A227 C266 R352 | L183-E223 HydrophobicContact CD1-CB 4.43Å; L183-E223 HydrophobicContact CD2-CB 4.34Å; L219-E223 PolarHBondContact O-N 3.45Å; E220-E223 PolarHBondContact O-N 2.92Å; E223-L225 VanDerWaalsContact C-N 3.33Å; E223-L225 PolarHBondContact O-N 2.96Å; E223-I226 PolarHBondContact O-N 3.23Å; E223-A227 WeakPolarHBondContact O-CB 3.46Å; E223-A227 PolarHBondContact O-N 2.73Å; E223-C266 VanDerWaalsContact CG-SG 3.53Å; E223-R352 IonicContact OE1-CZ 2.79Å; E223-R352 IonicContact OE1-NH1 3.63Å; E223-R352 PolarHBondContact OE1-NH1 3.45Å; E223-R352 IonicContact OE1-NH2 3.44Å; E223-R352 PolarHBondContact OE1-NH2 3.49Å |
| 224 | A | 89.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L183 L208 V211 L212 E220 R221 A222 A227 L228 | L183-A224 HydrophobicContact CD2-CB 4.22Å; L208-A224 HydrophobicContact CD2-CB 4.26Å; V211-A224 HydrophobicContact CB-CB 4.13Å; V211-A224 HydrophobicContact CG1-CB 3.75Å; L212-A224 HydrophobicContact CD2-CB 3.89Å; L212-A224 HydrophobicContact CG-CB 4.18Å; E220-A224 WeakPolarHBondContact O-CB 3.33Å; E220-A224 PolarHBondContact O-N 3.28Å; R221-A224 PolarHBondContact O-N 3.08Å; A222-A224 VanDerWaalsContact C-N 3.35Å; A222-A224 PolarHBondContact O-N 3.14Å; A224-A227 PolarHBondContact O-N 3.34Å; A224-L228 WeakPolarHBondContact O-CB 3.46Å; A224-L228 WeakPolarHBondContact O-CG 3.49Å; A224-L228 PolarHBondContact O-N 3.06Å |
| 225 | L | 91.7 | Very high | 83.6 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.5 | -40.8 | 177.5 | -72.4 | 162.4 | 0 | 0 | 0 | 112.6 | L212 R221 A222 E223 L228 S229 Y246 E249 A250 V253 | L212-L225 HydrophobicContact CD1-CD2 4.14Å; L212-L225 HydrophobicContact CD2-CD2 4.46Å; L212-L225 HydrophobicContact CD2-CG 4.17Å; R221-L225 HydrophobicContact CG-CD1 4.13Å; R221-L225 WeakPolarHBondContact O-CD1 3.49Å; R221-L225 WeakPolarHBondContact O-CG 3.43Å; R221-L225 PolarHBondContact O-N 2.93Å; R221-L225 VanDerWaalsContact O-N 3.1Å; A222-L225 PolarHBondContact O-N 3.31Å; E223-L225 VanDerWaalsContact C-N 3.33Å; E223-L225 PolarHBondContact O-N 2.96Å; L225-L228 PolarHBondContact O-N 3.17Å; L225-S229 PolarHBondContact O-N 3.35Å; L225-Y246 HydrophobicContact CD2-CD1 3.88Å; L225-E249 HydrophobicContact CD1-CB 4.14Å; L225-E249 HydrophobicContact CD1-CG 3.52Å; L225-E249 HydrophobicContact CD2-CB 4.35Å; L225-E249 HydrophobicContact CD2-CG 4.07Å; L225-E249 HydrophobicContact CG-CG 4.44Å; L225-A250 HydrophobicContact CB-CB 3.83Å; L225-A250 HydrophobicContact CD1-CB 4.46Å; L225-V253 HydrophobicContact CD1-CG2 4.28Å |
| 226 | I | 89.9 | Confident | 82.3 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 175.4 | -67.2 | 165.1 | 0 | 0 | 0 | 109.9 | A222 E223 L228 S229 E230 A250 C266 K269 A270 L273 | A222-I226 VanDerWaalsContact O-CG1 3.3Å; A222-I226 WeakPolarHBondContact O-CG1 3.13Å; A222-I226 PolarHBondContact O-N 3.43Å; E223-I226 PolarHBondContact O-N 3.23Å; I226-L228 VanDerWaalsContact C-N 3.32Å; I226-L228 PolarHBondContact O-N 3.34Å; I226-S229 WeakPolarHBondContact O-CB 3.36Å; I226-S229 PolarHBondContact O-N 2.97Å; I226-E230 PolarHBondContact O-N 3.26Å; I226-A250 HydrophobicContact CG1-CB 3.94Å; I226-C266 HydrophobicContact CD1-CB 3.75Å; I226-C266 WeakPolarHBondContact CD1-O 3.22Å; I226-K269 HydrophobicContact CG2-CD 4.05Å; I226-K269 HydrophobicContact CG2-CG 4.15Å; I226-A270 HydrophobicContact CD1-CB 4.03Å; I226-A270 HydrophobicContact CG1-CB 4.13Å; I226-L273 HydrophobicContact CG2-CD2 4.49Å |
| 227 | A | 86.4 | Confident | 80.6 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -36.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L208 E223 A224 E230 L231 | L208-A227 HydrophobicContact CD1-CB 3.66Å; L208-A227 HydrophobicContact CD2-CB 3.69Å; L208-A227 HydrophobicContact CG-CB 4.35Å; E223-A227 WeakPolarHBondContact O-CB 3.46Å; E223-A227 PolarHBondContact O-N 2.73Å; A224-A227 PolarHBondContact O-N 3.34Å; A227-E230 PolarHBondContact O-N 2.8Å; A227-L231 WeakPolarHBondContact O-CB 2.74Å; A227-L231 PolarHBondContact O-N 3.37Å |
| 228 | L | 87.1 | Confident | 78.8 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 173.7 | -80.7 | 169.6 | 0 | 0 | 0 | 111.8 | F205 L208 L212 A224 L225 I226 L231 A232 Y246 | F205-L228 HydrophobicContact CD2-CD2 3.67Å; F205-L228 HydrophobicContact CE2-CD2 3.69Å; F205-L228 HydrophobicContact CG-CD2 4.24Å; F205-L228 HydrophobicContact CZ-CD2 4.28Å; L208-L228 HydrophobicContact CB-CD1 4.26Å; L208-L228 HydrophobicContact CB-CD2 3.65Å; L208-L228 HydrophobicContact CB-CG 3.69Å; L208-L228 HydrophobicContact CD1-CD2 3.93Å; L208-L228 HydrophobicContact CD1-CG 3.93Å; L208-L228 HydrophobicContact CG-CD2 4.46Å; L208-L228 HydrophobicContact CG-CG 4.41Å; L212-L228 HydrophobicContact CD1-CD1 3.54Å; A224-L228 WeakPolarHBondContact O-CB 3.46Å; A224-L228 WeakPolarHBondContact O-CG 3.49Å; A224-L228 PolarHBondContact O-N 3.06Å; L225-L228 PolarHBondContact O-N 3.17Å; I226-L228 VanDerWaalsContact C-N 3.32Å; I226-L228 PolarHBondContact O-N 3.34Å; L228-L231 PolarHBondContact O-N 3.42Å; L228-A232 WeakPolarHBondContact O-CB 3.42Å; L228-A232 PolarHBondContact O-N 2.96Å; L228-Y246 HydrophobicContact CB-CD1 4.26Å; L228-Y246 HydrophobicContact CB-CD2 4Å; L228-Y246 HydrophobicContact CB-CE1 4.49Å; L228-Y246 HydrophobicContact CB-CE2 4.27Å; L228-Y246 HydrophobicContact CB-CG 4.01Å; L228-Y246 HydrophobicContact CD1-CD1 4.27Å; L228-Y246 HydrophobicContact CD1-CE1 4.1Å |
| 229 | S | 86.8 | Confident | 77.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 175 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | L225 I226 A232 A233 A243 L247 Q277 | L225-S229 PolarHBondContact O-N 3.35Å; I226-S229 WeakPolarHBondContact O-CB 3.36Å; I226-S229 PolarHBondContact O-N 2.97Å; S229-A232 PolarHBondContact O-N 2.95Å; S229-A233 VanDerWaalsContact O-CB 3.29Å; S229-A233 WeakPolarHBondContact O-CB 3.5Å; S229-A233 PolarHBondContact O-N 3.4Å; S229-A243 WeakPolarHBondContact CB-O 3.34Å; S229-A243 PolarHBondContact OG-O 3.48Å; S229-L247 WeakPolarHBondContact OG-CG 3.33Å; S229-Q277 PolarHBondContact OG-NE2 3.11Å |
| 230 | E | 82.4 | Confident | 75.7 | Confident | 24 Ų | 24 | 35.3 Ų | 35.3 | 11% | 0.112 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 174.1 | -69 | -179.7 | 155.5 | 0 | 0 | 111.8 | I226 A227 A233 R234 K269 L273 | I226-E230 PolarHBondContact O-N 3.26Å; A227-E230 PolarHBondContact O-N 2.8Å; E230-A233 PolarHBondContact O-N 3.31Å; E230-R234 WeakPolarHBondContact O-CG 3.43Å; E230-R234 PolarHBondContact O-N 2.7Å; E230-K269 VanDerWaalsContact CD-NZ 3.29Å; E230-K269 WeakPolarHBondContact OE1-CE 3.41Å; E230-K269 IonicContact OE1-NZ 3.74Å; E230-K269 PolarHBondContact OE1-NZ 2.93Å; E230-K269 IonicContact OE2-NZ 3.32Å; E230-K269 PolarHBondContact OE2-NZ 3.35Å; E230-L273 HydrophobicContact CG-CD1 3.82Å; E230-L273 HydrophobicContact CG-CD2 3.67Å; E230-L273 HydrophobicContact CG-CG 4.43Å |
| 231 | L | 79.4 | Confident | 74.6 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 177.7 | -99.6 | 145.5 | 0 | 0 | 0 | 112.9 | N201 E204 L208 A227 L228 A233 R234 S235 | N201-L231 HydrophobicContact CB-CD2 3.71Å; E204-L231 HydrophobicContact CB-CD1 3.6Å; E204-L231 HydrophobicContact CB-CD2 4.07Å; E204-L231 HydrophobicContact CB-CG 4.46Å; L208-L231 HydrophobicContact CD1-CD1 3.39Å; A227-L231 WeakPolarHBondContact O-CB 2.74Å; A227-L231 PolarHBondContact O-N 3.37Å; L228-L231 PolarHBondContact O-N 3.42Å; L231-A233 VanDerWaalsContact C-N 3.32Å; L231-A233 PolarHBondContact O-N 2.91Å; L231-R234 WeakPolarHBondContact O-CB 3.33Å; L231-R234 PolarHBondContact O-N 2.89Å; L231-S235 PolarHBondContact O-N 3.44Å |
| 232 | A | 77.5 | Confident | 73.5 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | L228 S229 R234 S235 V238 A243 Y246 | L228-A232 WeakPolarHBondContact O-CB 3.42Å; L228-A232 PolarHBondContact O-N 2.96Å; S229-A232 PolarHBondContact O-N 2.95Å; A232-R234 VanDerWaalsContact C-N 3.29Å; A232-R234 PolarHBondContact O-N 2.88Å; A232-S235 PolarHBondContact O-N 2.93Å; A232-S235 VanDerWaalsContact O-N 3.13Å; A232-S235 PolarHBondContact O-OG 3.42Å; A232-V238 HydrophobicContact CB-CG1 3.96Å; A232-A243 HydrophobicContact CB-CB 3.9Å; A232-Y246 HydrophobicContact CB-CD2 4.41Å; A232-Y246 HydrophobicContact CB-CE2 4.37Å |
| 233 | A | 71 | Confident | 72.5 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.6 | -33.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S229 E230 L231 R280 A552 G553 | S229-A233 VanDerWaalsContact O-CB 3.29Å; S229-A233 WeakPolarHBondContact O-CB 3.5Å; S229-A233 PolarHBondContact O-N 3.4Å; E230-A233 PolarHBondContact O-N 3.31Å; L231-A233 VanDerWaalsContact C-N 3.32Å; L231-A233 PolarHBondContact O-N 2.91Å; A233-R280 PolarHBondContact O-NH1 3.46Å; A233-A552 WeakPolarHBondContact CB-O 3.36Å; A233-G553 CarbonylContact C-O 3.55Å; A233-G553 VanDerWaalsContact C-O 3.24Å |
| 234 | R | 69.2 | Low | 72 | Confident | 55 Ų | 55 | 39.3 Ų | 39.3 | 21% | 0.208 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66 | -32.1 | 174.8 | -76 | 174.9 | 179.8 | 171.8 | -1.9 | 113.6 | E230 L231 A232 E550 G553 I555 | E230-R234 WeakPolarHBondContact O-CG 3.43Å; E230-R234 PolarHBondContact O-N 2.7Å; L231-R234 WeakPolarHBondContact O-CB 3.33Å; L231-R234 PolarHBondContact O-N 2.89Å; A232-R234 VanDerWaalsContact C-N 3.29Å; A232-R234 PolarHBondContact O-N 2.88Å; R234-E550 PolarHBondContact NE-O 2.9Å; R234-E550 PolarHBondContact NH2-O 3.43Å; R234-G553 VanDerWaalsContact CA-O 3.29Å; R234-G553 WeakPolarHBondContact CA-O 2.82Å; R234-G553 PolarHBondContact N-O 3.41Å; R234-I555 HydrophobicContact CB-CD1 4.26Å; R234-I555 HydrophobicContact CG-CD1 4.37Å |
| 235 | S | 64.8 | Low | 71.9 | Confident | 23 Ų | 23 | 45.1 Ų | 45.1 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | trans | -79.5 | 135.4 | -174 | 73.5 | 0 | 0 | 0 | 0 | 111.3 | L231 A232 S237 V238 | L231-S235 PolarHBondContact O-N 3.44Å; A232-S235 PolarHBondContact O-N 2.93Å; A232-S235 VanDerWaalsContact O-N 3.13Å; A232-S235 PolarHBondContact O-OG 3.42Å; S235-S237 VanDerWaalsContact C-N 3.25Å; S235-S237 PolarHBondContact O-N 3.47Å; S235-V238 WeakPolarHBondContact OG-CB 3.31Å; S235-V238 WeakPolarHBondContact OG-CG2 3.41Å | ||
| 236 | Q | 52.4 | Low | 71.7 | Confident | 174 Ų | 174 | 47.3 Ų | 47.3 | 81% | 0.813 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -72.8 | -20.8 | 176.8 | -75.4 | -176.5 | -2.9 | 0 | 0 | 112.9 | ||
| 237 | S | 49 | Very low | 71.7 | Confident | 113 Ų | 113 | 47.4 Ų | 47.4 | 79% | 0.79 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -89.7 | -21.1 | -173.3 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | S235 | S235-S237 VanDerWaalsContact C-N 3.25Å; S235-S237 PolarHBondContact O-N 3.47Å |
| 238 | V | 47.7 | Very low | 71.8 | Confident | 37 Ų | 37 | 54.6 Ų | 54.6 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -88.7 | 136.1 | -176.3 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | A232 S235 E242 | A232-V238 HydrophobicContact CB-CG1 3.96Å; S235-V238 WeakPolarHBondContact OG-CB 3.31Å; S235-V238 WeakPolarHBondContact OG-CG2 3.41Å; V238-E242 HydrophobicContact CG1-CB 3.67Å; V238-E242 HydrophobicContact CG1-CG 4.1Å; V238-E242 WeakPolarHBondContact CG1-OE2 3.45Å |
| 239 | C | 51.2 | Low | 72 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 49% | 0.493 | 29% | 0.289 | S | S | . | . | trans | -71.4 | 143 | 177.4 | -152.3 | 0 | 0 | 0 | 0 | 109.6 | D241 E242 | C239-D241 HydrophobicContact CB-CB 4.48Å; C239-D241 PolarHBondContact O-N 2.91Å; C239-E242 PolarHBondContact O-N 3.29Å | ||
| 240 | L | 56.7 | Low | 72.2 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53.2 | -21.8 | 175.5 | -86.6 | 151.7 | 0 | 0 | 0 | 112.9 | S244 | L240-S244 WeakPolarHBondContact O-CB 3.22Å; L240-S244 PolarHBondContact O-N 3.37Å; L240-S244 VanDerWaalsContact O-N 3.11Å; L240-S244 PolarHBondContact O-OG 3.45Å |
| 241 | D | 63.9 | Low | 72.7 | Confident | 112 Ų | 112 | 58.4 Ų | 58.4 | 60% | 0.599 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 176.6 | -61.3 | -28.8 | 0 | 0 | 0 | 112.9 | C239 S244 E245 | C239-D241 HydrophobicContact CB-CB 4.48Å; C239-D241 PolarHBondContact O-N 2.91Å; D241-S244 PolarHBondContact O-N 3.4Å; D241-E245 PolarHBondContact O-N 3.45Å |
| 242 | E | 66.3 | Low | 73.4 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 39% | 0.393 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 179.8 | -68.6 | -179.1 | -163.7 | 0 | 0 | 111.2 | V238 C239 S244 E245 Y246 | V238-E242 HydrophobicContact CG1-CB 3.67Å; V238-E242 HydrophobicContact CG1-CG 4.1Å; V238-E242 WeakPolarHBondContact CG1-OE2 3.45Å; C239-E242 PolarHBondContact O-N 3.29Å; E242-S244 PolarHBondContact O-N 2.89Å; E242-E245 WeakPolarHBondContact O-CB 3.5Å; E242-E245 PolarHBondContact O-N 3.08Å; E242-E245 VanDerWaalsContact O-N 3.14Å; E242-Y246 HydrophobicContact CB-CE2 4.42Å; E242-Y246 WeakPolarHBondContact O-CD2 3.49Å; E242-Y246 PolarHBondContact O-N 3.39Å; E242-Y246 VanDerWaalsContact O-N 3.08Å |
| 243 | A | 71.3 | Confident | 74 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S229 A232 L247 | S229-A243 WeakPolarHBondContact CB-O 3.34Å; S229-A243 PolarHBondContact OG-O 3.48Å; A232-A243 HydrophobicContact CB-CB 3.9Å; A243-L247 PolarHBondContact O-N 3.24Å |
| 244 | S | 78.8 | Confident | 74.9 | Confident | 38 Ų | 38 | 65.7 Ų | 65.7 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.5 | -30.9 | 177 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | L240 D241 E242 R248 | L240-S244 WeakPolarHBondContact O-CB 3.22Å; L240-S244 PolarHBondContact O-N 3.37Å; L240-S244 VanDerWaalsContact O-N 3.11Å; L240-S244 PolarHBondContact O-OG 3.45Å; D241-S244 PolarHBondContact O-N 3.4Å; E242-S244 PolarHBondContact O-N 2.89Å; S244-R248 WeakPolarHBondContact O-CG 3.47Å; S244-R248 PolarHBondContact O-N 2.68Å; S244-R248 PolarHBondContact O-NE 2.93Å |
| 245 | E | 86.4 | Confident | 75.8 | Confident | 121 Ų | 121 | 65.6 Ų | 65.6 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.2 | -46.7 | 175 | -167.1 | 176 | -178.8 | 0 | 0 | 111.7 | D241 E242 L247 R248 E249 | D241-E245 PolarHBondContact O-N 3.45Å; E242-E245 WeakPolarHBondContact O-CB 3.5Å; E242-E245 PolarHBondContact O-N 3.08Å; E242-E245 VanDerWaalsContact O-N 3.14Å; E245-L247 VanDerWaalsContact C-N 3.3Å; E245-L247 PolarHBondContact O-N 3.44Å; E245-R248 PolarHBondContact O-N 2.7Å; E245-R248 VanDerWaalsContact O-N 3.17Å; E245-E249 PolarHBondContact O-N 3.36Å |
| 246 | Y | 88.3 | Confident | 76.9 | Confident | 55 Ų | 55 | 70.9 Ų | 70.9 | 22% | 0.216 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.2 | -40.8 | 175.2 | -64.8 | -52.7 | 0 | 0 | 0 | 112.3 | L225 L228 A232 E242 E249 A250 | L225-Y246 HydrophobicContact CD2-CD1 3.88Å; L228-Y246 HydrophobicContact CB-CD1 4.26Å; L228-Y246 HydrophobicContact CB-CD2 4Å; L228-Y246 HydrophobicContact CB-CE1 4.49Å; L228-Y246 HydrophobicContact CB-CE2 4.27Å; L228-Y246 HydrophobicContact CB-CG 4.01Å; L228-Y246 HydrophobicContact CD1-CD1 4.27Å; L228-Y246 HydrophobicContact CD1-CE1 4.1Å; A232-Y246 HydrophobicContact CB-CD2 4.41Å; A232-Y246 HydrophobicContact CB-CE2 4.37Å; E242-Y246 HydrophobicContact CB-CE2 4.42Å; E242-Y246 WeakPolarHBondContact O-CD2 3.49Å; E242-Y246 PolarHBondContact O-N 3.39Å; E242-Y246 VanDerWaalsContact O-N 3.08Å; Y246-E249 PolarHBondContact O-N 3.49Å; Y246-A250 WeakPolarHBondContact O-CB 3.14Å; Y246-A250 PolarHBondContact O-N 3.37Å |
| 247 | L | 88.1 | Confident | 78.5 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.4 | -89.8 | 172.8 | 0 | 0 | 0 | 112.6 | S229 A243 E245 E249 A250 F251 A270 L273 K274 | S229-L247 WeakPolarHBondContact OG-CG 3.33Å; A243-L247 PolarHBondContact O-N 3.24Å; E245-L247 VanDerWaalsContact C-N 3.3Å; E245-L247 PolarHBondContact O-N 3.44Å; L247-E249 VanDerWaalsContact C-N 3.32Å; L247-E249 PolarHBondContact O-N 3.18Å; L247-A250 WeakPolarHBondContact O-CB 3.4Å; L247-A250 PolarHBondContact O-N 2.9Å; L247-F251 HydrophobicContact CD2-CE2 4.41Å; L247-F251 WeakPolarHBondContact O-CD2 3.44Å; L247-F251 PolarHBondContact O-N 3.44Å; L247-A270 HydrophobicContact CD2-CB 3.78Å; L247-L273 HydrophobicContact CD1-CB 4.3Å; L247-L273 HydrophobicContact CD1-CD2 4.03Å; L247-L273 HydrophobicContact CD1-CG 4.04Å; L247-L273 HydrophobicContact CD2-CB 4.36Å; L247-L273 HydrophobicContact CD2-CD2 3.99Å; L247-L273 HydrophobicContact CG-CD2 4.15Å; L247-K274 HydrophobicContact CD1-CB 4.26Å |
| 248 | R | 89.5 | Confident | 80.2 | Confident | 169 Ų | 169 | 65.3 Ų | 65.3 | 64% | 0.638 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.1 | -44.2 | 176.8 | -80.9 | -176 | -70.3 | 179.8 | 0.5 | 111.5 | S244 E245 F251 R252 | S244-R248 WeakPolarHBondContact O-CG 3.47Å; S244-R248 PolarHBondContact O-N 2.68Å; S244-R248 PolarHBondContact O-NE 2.93Å; E245-R248 PolarHBondContact O-N 2.7Å; E245-R248 VanDerWaalsContact O-N 3.17Å; R248-F251 PolarHBondContact O-N 2.93Å; R248-R252 PolarHBondContact O-N 2.94Å; R248-R252 VanDerWaalsContact O-N 3.1Å |
| 249 | E | 91.6 | Very high | 81.8 | Confident | 43 Ų | 43 | 69.6 Ų | 69.6 | 20% | 0.201 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 175.9 | 180 | 64.3 | -178.9 | 0 | 0 | 111.6 | R221 L225 E245 Y246 L247 F251 R252 V253 | R221-E249 IonicContact CZ-OE1 3.25Å; R221-E249 IonicContact NE-OE1 3.31Å; R221-E249 IonicContact NH2-OE1 2.68Å; R221-E249 PolarHBondContact NH2-OE1 3.22Å; L225-E249 HydrophobicContact CD1-CB 4.14Å; L225-E249 HydrophobicContact CD1-CG 3.52Å; L225-E249 HydrophobicContact CD2-CB 4.35Å; L225-E249 HydrophobicContact CD2-CG 4.07Å; L225-E249 HydrophobicContact CG-CG 4.44Å; E245-E249 PolarHBondContact O-N 3.36Å; Y246-E249 PolarHBondContact O-N 3.49Å; L247-E249 VanDerWaalsContact C-N 3.32Å; L247-E249 PolarHBondContact O-N 3.18Å; E249-F251 PolarHBondContact O-N 3.13Å; E249-R252 WeakPolarHBondContact O-CB 3.44Å; E249-R252 PolarHBondContact O-N 2.99Å; E249-R252 IonicContact OE1-CZ 3.01Å; E249-R252 IonicContact OE1-NE 2.63Å; E249-R252 IonicContact OE1-NH2 3.45Å; E249-R252 PolarHBondContact OE1-NH2 3.01Å; E249-R252 IonicContact OE2-CZ 3.29Å; E249-R252 IonicContact OE2-NE 3.1Å; E249-R252 PolarHBondContact OE2-NE 3.17Å; E249-R252 IonicContact OE2-NH2 3.14Å; E249-R252 PolarHBondContact OE2-NH2 3.44Å; E249-V253 HydrophobicContact CG-CG2 4.47Å; E249-V253 WeakPolarHBondContact O-CG2 3.49Å; E249-V253 PolarHBondContact O-N 3.31Å |
| 250 | A | 91.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L225 I226 Y246 L247 R252 V253 L254 | L225-A250 HydrophobicContact CB-CB 3.83Å; L225-A250 HydrophobicContact CD1-CB 4.46Å; I226-A250 HydrophobicContact CG1-CB 3.94Å; Y246-A250 WeakPolarHBondContact O-CB 3.14Å; Y246-A250 PolarHBondContact O-N 3.37Å; L247-A250 WeakPolarHBondContact O-CB 3.4Å; L247-A250 PolarHBondContact O-N 2.9Å; A250-R252 VanDerWaalsContact C-N 3.33Å; A250-R252 PolarHBondContact O-N 3.04Å; A250-V253 PolarHBondContact O-N 2.88Å; A250-L254 WeakPolarHBondContact O-CB 3.44Å; A250-L254 WeakPolarHBondContact O-CD1 3.24Å; A250-L254 VanDerWaalsContact O-CG 3.24Å; A250-L254 WeakPolarHBondContact O-CG 3.44Å; A250-L254 PolarHBondContact O-N 3.28Å |
| 251 | F | 92.9 | Very high | 84.6 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 27% | 0.272 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 175.5 | -79.8 | -66.9 | 0 | 0 | 0 | 112.5 | L247 R248 E249 L254 G255 L267 A270 K274 | L247-F251 HydrophobicContact CD2-CE2 4.41Å; L247-F251 WeakPolarHBondContact O-CD2 3.44Å; L247-F251 PolarHBondContact O-N 3.44Å; R248-F251 PolarHBondContact O-N 2.93Å; E249-F251 PolarHBondContact O-N 3.13Å; F251-L254 PolarHBondContact O-N 2.91Å; F251-G255 PolarHBondContact O-N 2.89Å; F251-L267 HydrophobicContact CD1-CD2 4.06Å; F251-L267 HydrophobicContact CE1-CD2 4.27Å; F251-A270 HydrophobicContact CE1-CB 4.02Å; F251-A270 HydrophobicContact CE2-CB 4.03Å; F251-A270 HydrophobicContact CZ-CB 3.66Å; F251-K274 HydrophobicContact CE2-CD 3.95Å; F251-K274 HydrophobicContact CZ-CD 4.4Å |
| 252 | R | 93 | Very high | 85.6 | Confident | 159 Ų | 159 | 62.1 Ų | 62.1 | 60% | 0.6 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.6 | -51.7 | 176 | -174.6 | 178.1 | 74.7 | 126.8 | 1.1 | 111 | R248 E249 A250 L254 G255 | R248-R252 PolarHBondContact O-N 2.94Å; R248-R252 VanDerWaalsContact O-N 3.1Å; E249-R252 WeakPolarHBondContact O-CB 3.44Å; E249-R252 PolarHBondContact O-N 2.99Å; E249-R252 IonicContact OE1-CZ 3.01Å; E249-R252 IonicContact OE1-NE 2.63Å; E249-R252 IonicContact OE1-NH2 3.45Å; E249-R252 PolarHBondContact OE1-NH2 3.01Å; E249-R252 IonicContact OE2-CZ 3.29Å; E249-R252 IonicContact OE2-NE 3.1Å; E249-R252 PolarHBondContact OE2-NE 3.17Å; E249-R252 IonicContact OE2-NH2 3.14Å; E249-R252 PolarHBondContact OE2-NH2 3.44Å; A250-R252 VanDerWaalsContact C-N 3.33Å; A250-R252 PolarHBondContact O-N 3.04Å; R252-L254 VanDerWaalsContact C-N 3.34Å; R252-L254 PolarHBondContact O-N 2.92Å; R252-G255 PolarHBondContact O-N 3.05Å; R252-G255 VanDerWaalsContact O-N 3.09Å |
| 253 | V | 90.2 | Very high | 86.7 | Confident | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | -179.5 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | P218 R221 A222 L225 E249 A250 G255 D256 V257 | P218-V253 HydrophobicContact CB-CG1 4.13Å; P218-V253 WeakPolarHBondContact O-CG1 3.39Å; R221-V253 HydrophobicContact CB-CG1 4.25Å; R221-V253 HydrophobicContact CG-CG1 4.4Å; R221-V253 HydrophobicContact CG-CG2 4.36Å; A222-V253 HydrophobicContact CB-CG1 4.24Å; L225-V253 HydrophobicContact CD1-CG2 4.28Å; E249-V253 HydrophobicContact CG-CG2 4.47Å; E249-V253 WeakPolarHBondContact O-CG2 3.49Å; E249-V253 PolarHBondContact O-N 3.31Å; A250-V253 PolarHBondContact O-N 2.88Å; V253-G255 PolarHBondContact O-N 3.35Å; V253-D256 PolarHBondContact O-N 3.29Å; V253-V257 WeakPolarHBondContact O-CG2 3.37Å |
| 254 | L | 90.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -20.2 | 177.3 | -71.3 | 165.5 | 0 | 0 | 0 | 113.6 | L219 A222 A250 F251 R252 D256 R263 C266 L267 | L219-L254 HydrophobicContact CD1-CD2 4.46Å; A222-L254 HydrophobicContact CB-CD1 4.22Å; A222-L254 HydrophobicContact CB-CD2 3.63Å; A222-L254 HydrophobicContact CB-CG 3.63Å; A250-L254 WeakPolarHBondContact O-CB 3.44Å; A250-L254 WeakPolarHBondContact O-CD1 3.24Å; A250-L254 VanDerWaalsContact O-CG 3.24Å; A250-L254 WeakPolarHBondContact O-CG 3.44Å; A250-L254 PolarHBondContact O-N 3.28Å; F251-L254 PolarHBondContact O-N 2.91Å; R252-L254 VanDerWaalsContact C-N 3.34Å; R252-L254 PolarHBondContact O-N 2.92Å; L254-D256 VanDerWaalsContact C-N 3.3Å; L254-R263 HydrophobicContact CD2-CG 4.03Å; L254-R263 PolarHBondContact O-NE 3.26Å; L254-C266 HydrophobicContact CD1-CB 3.91Å; L254-C266 HydrophobicContact CD2-CB 3.7Å; L254-C266 HydrophobicContact CG-CB 4.47Å; L254-L267 HydrophobicContact CB-CD2 3.74Å; L254-L267 HydrophobicContact CB-CG 4.2Å; L254-L267 HydrophobicContact CD1-CD2 3.74Å; L254-L267 HydrophobicContact CD1-CG 3.99Å; L254-L267 HydrophobicContact CG-CD2 4.31Å |
| 255 | G | 88.4 | Confident | 88.1 | Confident | 52 Ų | 52 | 59 Ų | 59 | 54% | 0.536 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.1 | -31.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F251 R252 V253 | F251-G255 PolarHBondContact O-N 2.89Å; R252-G255 PolarHBondContact O-N 3.05Å; R252-G255 VanDerWaalsContact O-N 3.09Å; V253-G255 PolarHBondContact O-N 3.35Å |
| 256 | D | 86.6 | Confident | 88.3 | Confident | 134 Ų | 134 | 53.4 Ų | 53.4 | 72% | 0.717 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -2.7 | -178 | -60 | -33.7 | 0 | 0 | 0 | 113.2 | V253 L254 | V253-D256 PolarHBondContact O-N 3.29Å; L254-D256 VanDerWaalsContact C-N 3.3Å |
| 257 | V | 86.8 | Confident | 88.5 | Confident | 24 Ų | 24 | 52 Ų | 52 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -94.2 | 134.2 | -179.4 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | P218 V253 R263 | P218-V257 HydrophobicContact CB-CG2 3.53Å; V253-V257 WeakPolarHBondContact O-CG2 3.37Å; V257-R263 HydrophobicContact CB-CG 4.26Å; V257-R263 HydrophobicContact CG1-CB 4.23Å; V257-R263 HydrophobicContact CG1-CG 4.37Å; V257-R263 WeakPolarHBondContact O-CD 3.42Å; V257-R263 PolarHBondContact O-NE 3.32Å |
| 258 | D | 84.2 | Confident | 88.6 | Confident | 146 Ų | 146 | 51.8 Ų | 51.8 | 78% | 0.781 | 26% | 0.259 | S | S | * | . | trans | -60 | 155.1 | 172.3 | -68.1 | -36.6 | 0 | 0 | 0 | 112.2 | C260 R263 | D258-C260 PolarHBondContact O-N 3Å; D258-R263 WeakPolarHBondContact O-CD 3.47Å | ||
| 259 | E | 81.1 | Confident | 88.7 | Confident | 127 Ų | 127 | 46.3 Ų | 46.3 | 59% | 0.593 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -63.5 | 106.9 | 179.3 | -88.5 | -169.4 | -176.6 | 0 | 0 | 113.3 | R263 R341 | E259-R263 IonicContact OE1-NH1 3.1Å; E259-R341 IonicContact OE2-NH2 2.77Å |
| 260 | C | 84.1 | Confident | 88.6 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 27% | 0.27 | 23% | 0.23 | S | C | . | . | trans | -135.4 | 161.7 | 170.9 | 73.1 | 0 | 0 | 0 | 0 | 111.3 | D258 S262 R263 L264 | D258-C260 PolarHBondContact O-N 3Å; C260-S262 VanDerWaalsContact C-N 3.26Å; C260-S262 PolarHBondContact O-N 3.23Å; C260-R263 PolarHBondContact O-N 3.36Å; C260-R263 PolarHBondContact SG-N 3.33Å; C260-R263 VanDerWaalsContact SG-N 3.35Å; C260-L264 PolarHBondContact O-N 3.29Å; C260-L264 VanDerWaalsContact O-N 3.14Å | ||
| 261 | P | 83.2 | Confident | 88.7 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55 | -40.6 | 179.9 | -22.7 | 30.8 | 0 | 0 | 0 | 113 | L264 H265 R341 A345 | P261-L264 PolarHBondContact O-N 3.1Å; P261-H265 WeakPolarHBondContact O-CB 3.47Å; P261-H265 PolarHBondContact O-N 3Å; P261-R341 HydrophobicContact CB-CB 4.23Å; P261-R341 HydrophobicContact CG-CB 4.16Å; P261-A345 HydrophobicContact CB-CB 4.29Å |
| 262 | S | 84.7 | Confident | 88.5 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.5 | -38.6 | 179.4 | -86 | 0 | 0 | 0 | 0 | 113.6 | L219 C260 H265 C266 E349 | L219-S262 VanDerWaalsContact CD2-CB 3.43Å; C260-S262 VanDerWaalsContact C-N 3.26Å; C260-S262 PolarHBondContact O-N 3.23Å; S262-H265 PolarHBondContact O-N 2.93Å; S262-C266 PolarHBondContact O-N 3.39Å; S262-C266 PolarHBondContact O-SG 3.25Å; S262-E349 PolarHBondContact OG-OE1 3.22Å |
| 263 | R | 90.3 | Very high | 88.2 | Confident | 41 Ų | 41 | 35 Ų | 35 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -48 | 172.8 | 175.9 | -170.6 | 173.6 | -118.6 | 9.1 | 110.4 | L219 L254 V257 D258 E259 C260 H265 C266 L267 | L219-R263 HydrophobicContact CD1-CB 4.38Å; L254-R263 HydrophobicContact CD2-CG 4.03Å; L254-R263 PolarHBondContact O-NE 3.26Å; V257-R263 HydrophobicContact CB-CG 4.26Å; V257-R263 HydrophobicContact CG1-CB 4.23Å; V257-R263 HydrophobicContact CG1-CG 4.37Å; V257-R263 WeakPolarHBondContact O-CD 3.42Å; V257-R263 PolarHBondContact O-NE 3.32Å; D258-R263 WeakPolarHBondContact O-CD 3.47Å; E259-R263 IonicContact OE1-NH1 3.1Å; C260-R263 PolarHBondContact O-N 3.36Å; C260-R263 PolarHBondContact SG-N 3.33Å; C260-R263 VanDerWaalsContact SG-N 3.35Å; R263-H265 VanDerWaalsContact C-N 3.34Å; R263-H265 PolarHBondContact O-N 3.41Å; R263-C266 PolarHBondContact O-N 2.67Å; R263-L267 HydrophobicContact CG-CD1 4.02Å; R263-L267 HydrophobicContact CG-CG 4.48Å; R263-L267 WeakPolarHBondContact O-CG 3.41Å; R263-L267 PolarHBondContact O-N 3.43Å |
| 264 | L | 89.3 | Confident | 88.2 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 179.5 | -70.6 | 168.8 | 0 | 0 | 0 | 111.8 | C260 P261 C266 L267 C268 L333 L338 R341 | C260-L264 PolarHBondContact O-N 3.29Å; C260-L264 VanDerWaalsContact O-N 3.14Å; P261-L264 PolarHBondContact O-N 3.1Å; L264-C266 VanDerWaalsContact C-N 3.35Å; L264-C266 PolarHBondContact O-N 3.34Å; L264-L267 HydrophobicContact CD2-CD1 4.48Å; L264-L267 PolarHBondContact O-N 3.44Å; L264-C268 WeakPolarHBondContact O-CB 3.46Å; L264-C268 PolarHBondContact O-N 3.14Å; L264-C268 PolarHBondContact O-SG 3.31Å; L264-L333 HydrophobicContact CD2-CD1 4.25Å; L264-L338 HydrophobicContact CB-CD1 3.83Å; L264-R341 HydrophobicContact CD1-CG 3.81Å |
| 265 | H | 90.6 | Very high | 88 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 6% | 0.06 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.3 | -48 | 173.2 | 169.4 | -83.7 | 0 | 0 | 0 | 110.9 | P261 S262 R263 L267 C268 K269 L338 R352 L356 | P261-H265 WeakPolarHBondContact O-CB 3.47Å; P261-H265 PolarHBondContact O-N 3Å; S262-H265 PolarHBondContact O-N 2.93Å; R263-H265 VanDerWaalsContact C-N 3.34Å; R263-H265 PolarHBondContact O-N 3.41Å; H265-L267 PolarHBondContact O-N 2.91Å; H265-C268 PolarHBondContact O-N 2.83Å; H265-K269 VanDerWaalsContact O-CB 3.31Å; H265-K269 WeakPolarHBondContact O-CB 3.39Å; H265-K269 PolarHBondContact O-N 2.94Å; H265-L338 HydrophobicContact CB-CD1 4.06Å; H265-R352 PolarHBondContact CE1-NH2 3.48Å; H265-L356 WeakPolarHBondContact O-CD2 3.42Å |
| 266 | C | 90.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 178.1 | -67.3 | 0 | 0 | 0 | 0 | 112.4 | E223 I226 L254 S262 R263 L264 K269 A270 | E223-C266 VanDerWaalsContact CG-SG 3.53Å; I226-C266 HydrophobicContact CD1-CB 3.75Å; I226-C266 WeakPolarHBondContact CD1-O 3.22Å; L254-C266 HydrophobicContact CD1-CB 3.91Å; L254-C266 HydrophobicContact CD2-CB 3.7Å; L254-C266 HydrophobicContact CG-CB 4.47Å; S262-C266 PolarHBondContact O-N 3.39Å; S262-C266 PolarHBondContact O-SG 3.25Å; R263-C266 PolarHBondContact O-N 2.67Å; L264-C266 VanDerWaalsContact C-N 3.35Å; L264-C266 PolarHBondContact O-N 3.34Å; C266-K269 PolarHBondContact O-N 2.73Å; C266-A270 WeakPolarHBondContact O-CB 3.38Å; C266-A270 PolarHBondContact O-N 3.04Å |
| 267 | L | 91.6 | Very high | 87.4 | Confident | 27 Ų | 27 | 30 Ų | 30 | 14% | 0.141 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -48.1 | 176 | -75.3 | 169.5 | 0 | 0 | 0 | 111.8 | F251 L254 R263 L264 H265 K269 A270 S271 L333 | F251-L267 HydrophobicContact CD1-CD2 4.06Å; F251-L267 HydrophobicContact CE1-CD2 4.27Å; L254-L267 HydrophobicContact CB-CD2 3.74Å; L254-L267 HydrophobicContact CB-CG 4.2Å; L254-L267 HydrophobicContact CD1-CD2 3.74Å; L254-L267 HydrophobicContact CD1-CG 3.99Å; L254-L267 HydrophobicContact CG-CD2 4.31Å; R263-L267 HydrophobicContact CG-CD1 4.02Å; R263-L267 HydrophobicContact CG-CG 4.48Å; R263-L267 WeakPolarHBondContact O-CG 3.41Å; R263-L267 PolarHBondContact O-N 3.43Å; L264-L267 HydrophobicContact CD2-CD1 4.48Å; L264-L267 PolarHBondContact O-N 3.44Å; H265-L267 PolarHBondContact O-N 2.91Å; L267-K269 PolarHBondContact O-N 3.5Å; L267-A270 PolarHBondContact O-N 2.89Å; L267-S271 WeakPolarHBondContact O-CB 3.41Å; L267-S271 PolarHBondContact O-N 2.91Å; L267-L333 HydrophobicContact CB-CD2 3.88Å |
| 268 | C | 91 | Very high | 87.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60 | -45.4 | 175.9 | -75.6 | 0 | 0 | 0 | 0 | 111.6 | L264 H265 S271 L272 L333 L338 L356 | L264-C268 WeakPolarHBondContact O-CB 3.46Å; L264-C268 PolarHBondContact O-N 3.14Å; L264-C268 PolarHBondContact O-SG 3.31Å; H265-C268 PolarHBondContact O-N 2.83Å; C268-S271 PolarHBondContact O-N 2.99Å; C268-L272 PolarHBondContact O-N 3.44Å; C268-L333 HydrophobicContact CB-CD2 4.43Å; C268-L333 VanDerWaalsContact SG-CD2 3.57Å; C268-L333 VanDerWaalsContact SG-CG 3.51Å; C268-L338 HydrophobicContact CB-CD2 4.08Å; C268-L356 HydrophobicContact CB-CD2 3.52Å; C268-L356 HydrophobicContact CB-CG 4.39Å |
| 269 | K | 90.2 | Very high | 86.5 | Confident | 54 Ų | 54 | 25 Ų | 25 | 24% | 0.235 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 180 | -171 | 176 | 179.6 | -165.5 | 0 | 111.5 | I226 E230 H265 C266 L267 S271 L272 L273 L356 | I226-K269 HydrophobicContact CG2-CD 4.05Å; I226-K269 HydrophobicContact CG2-CG 4.15Å; E230-K269 VanDerWaalsContact CD-NZ 3.29Å; E230-K269 WeakPolarHBondContact OE1-CE 3.41Å; E230-K269 IonicContact OE1-NZ 3.74Å; E230-K269 PolarHBondContact OE1-NZ 2.93Å; E230-K269 IonicContact OE2-NZ 3.32Å; E230-K269 PolarHBondContact OE2-NZ 3.35Å; H265-K269 VanDerWaalsContact O-CB 3.31Å; H265-K269 WeakPolarHBondContact O-CB 3.39Å; H265-K269 PolarHBondContact O-N 2.94Å; C266-K269 PolarHBondContact O-N 2.73Å; L267-K269 PolarHBondContact O-N 3.5Å; K269-S271 VanDerWaalsContact C-N 3.32Å; K269-S271 PolarHBondContact O-N 2.97Å; K269-L272 PolarHBondContact O-N 3.27Å; K269-L273 WeakPolarHBondContact O-CB 3.41Å; K269-L273 PolarHBondContact O-N 3Å; K269-L356 HydrophobicContact CB-CD1 4.1Å; K269-L356 HydrophobicContact CB-CD2 4.04Å; K269-L356 HydrophobicContact CG-CD1 4.37Å |
| 270 | A | 91.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.1 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | I226 L247 F251 C266 L267 L273 K274 | I226-A270 HydrophobicContact CD1-CB 4.03Å; I226-A270 HydrophobicContact CG1-CB 4.13Å; L247-A270 HydrophobicContact CD2-CB 3.78Å; F251-A270 HydrophobicContact CE1-CB 4.02Å; F251-A270 HydrophobicContact CE2-CB 4.03Å; F251-A270 HydrophobicContact CZ-CB 3.66Å; C266-A270 WeakPolarHBondContact O-CB 3.38Å; C266-A270 PolarHBondContact O-N 3.04Å; L267-A270 PolarHBondContact O-N 2.89Å; A270-L273 PolarHBondContact O-N 3.28Å; A270-K274 WeakPolarHBondContact O-CB 3.39Å; A270-K274 PolarHBondContact O-N 3.4Å |
| 271 | S | 91.7 | Very high | 85.2 | Confident | 11 Ų | 11 | 21.6 Ų | 21.6 | 8% | 0.077 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.9 | -44.8 | 177.7 | -164.8 | 0 | 0 | 0 | 0 | 112.3 | L267 C268 K269 L273 K274 F275 T330 | L267-S271 WeakPolarHBondContact O-CB 3.41Å; L267-S271 PolarHBondContact O-N 2.91Å; C268-S271 PolarHBondContact O-N 2.99Å; K269-S271 VanDerWaalsContact C-N 3.32Å; K269-S271 PolarHBondContact O-N 2.97Å; S271-L273 VanDerWaalsContact C-N 3.34Å; S271-L273 PolarHBondContact O-N 3.38Å; S271-K274 WeakPolarHBondContact O-CB 2.92Å; S271-K274 PolarHBondContact O-N 3.19Å; S271-F275 PolarHBondContact O-N 3.36Å; S271-T330 WeakPolarHBondContact CB-OG1 3.24Å; S271-T330 PolarHBondContact OG-OG1 3.24Å |
| 272 | L | 89.3 | Confident | 84.1 | Confident | 10 Ų | 10 | 22.1 Ų | 22.1 | 5% | 0.052 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 173.4 | -179.6 | 62.6 | 0 | 0 | 0 | 111.3 | C268 K269 K274 F275 L276 T330 L356 N359 V360 V363 | C268-L272 PolarHBondContact O-N 3.44Å; K269-L272 PolarHBondContact O-N 3.27Å; L272-K274 VanDerWaalsContact C-N 3.34Å; L272-K274 PolarHBondContact O-N 2.99Å; L272-F275 WeakPolarHBondContact O-CB 3.42Å; L272-F275 PolarHBondContact O-N 3.35Å; L272-L276 HydrophobicContact CD1-CD1 4.25Å; L272-L276 HydrophobicContact CD1-CG 4.45Å; L272-L276 HydrophobicContact CG-CD1 4.1Å; L272-L276 WeakPolarHBondContact O-CG 3.46Å; L272-L276 PolarHBondContact O-N 3.02Å; L272-T330 HydrophobicContact CB-CG2 4.29Å; L272-L356 HydrophobicContact CD2-CD1 4Å; L272-N359 HydrophobicContact CD2-CB 3.94Å; L272-V360 HydrophobicContact CD2-CG2 4.07Å; L272-V363 HydrophobicContact CD1-CB 4.49Å; L272-V363 HydrophobicContact CD1-CG2 4.23Å |
| 273 | L | 87.5 | Confident | 82.5 | Confident | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 178 | -168.2 | 66.2 | 0 | 0 | 0 | 111.5 | I226 E230 L247 K269 A270 S271 L276 Q277 A552 | I226-L273 HydrophobicContact CG2-CD2 4.49Å; E230-L273 HydrophobicContact CG-CD1 3.82Å; E230-L273 HydrophobicContact CG-CD2 3.67Å; E230-L273 HydrophobicContact CG-CG 4.43Å; L247-L273 HydrophobicContact CD1-CB 4.3Å; L247-L273 HydrophobicContact CD1-CD2 4.03Å; L247-L273 HydrophobicContact CD1-CG 4.04Å; L247-L273 HydrophobicContact CD2-CB 4.36Å; L247-L273 HydrophobicContact CD2-CD2 3.99Å; L247-L273 HydrophobicContact CG-CD2 4.15Å; K269-L273 WeakPolarHBondContact O-CB 3.41Å; K269-L273 PolarHBondContact O-N 3Å; A270-L273 PolarHBondContact O-N 3.28Å; S271-L273 VanDerWaalsContact C-N 3.34Å; S271-L273 PolarHBondContact O-N 3.38Å; L273-L276 PolarHBondContact O-N 2.73Å; L273-Q277 WeakPolarHBondContact O-CB 3.46Å; L273-Q277 VanDerWaalsContact O-CG 3.31Å; L273-Q277 WeakPolarHBondContact O-CG 3.39Å; L273-Q277 PolarHBondContact O-N 2.7Å; L273-A552 HydrophobicContact CD1-CB 3.52Å |
| 274 | K | 89.2 | Confident | 80.6 | Confident | 86 Ų | 86 | 24.5 Ų | 24.5 | 37% | 0.374 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 175 | -172.7 | 178.7 | -178 | 179.1 | 0 | 111.8 | L247 F251 A270 S271 L272 Q277 N278 L326 | L247-K274 HydrophobicContact CD1-CB 4.26Å; F251-K274 HydrophobicContact CE2-CD 3.95Å; F251-K274 HydrophobicContact CZ-CD 4.4Å; A270-K274 WeakPolarHBondContact O-CB 3.39Å; A270-K274 PolarHBondContact O-N 3.4Å; S271-K274 WeakPolarHBondContact O-CB 2.92Å; S271-K274 PolarHBondContact O-N 3.19Å; L272-K274 VanDerWaalsContact C-N 3.34Å; L272-K274 PolarHBondContact O-N 2.99Å; K274-Q277 PolarHBondContact O-N 3.28Å; K274-N278 VanDerWaalsContact O-CB 3.32Å; K274-N278 WeakPolarHBondContact O-CB 3.47Å; K274-N278 PolarHBondContact O-N 2.92Å; K274-L326 HydrophobicContact CB-CD2 4.22Å; K274-L326 HydrophobicContact CD-CD1 4.5Å; K274-L326 HydrophobicContact CD-CD2 4.2Å; K274-L326 HydrophobicContact CG-CD2 3.91Å |
| 275 | F | 87.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.8 | -50.9 | 174.4 | 168.2 | -94.7 | 0 | 0 | 0 | 111.2 | S271 L272 Q277 N278 L279 L323 L326 L327 V363 Y367 | S271-F275 PolarHBondContact O-N 3.36Å; L272-F275 WeakPolarHBondContact O-CB 3.42Å; L272-F275 PolarHBondContact O-N 3.35Å; F275-Q277 PolarHBondContact O-N 3.4Å; F275-N278 PolarHBondContact O-N 3.39Å; F275-L279 WeakPolarHBondContact O-CB 3.33Å; F275-L279 PolarHBondContact O-N 3Å; F275-L323 HydrophobicContact CD2-CD1 4.33Å; F275-L323 HydrophobicContact CD2-CD2 4.03Å; F275-L323 HydrophobicContact CD2-CG 3.72Å; F275-L323 WeakPolarHBondContact CD2-O 3.27Å; F275-L323 HydrophobicContact CE2-CD1 4.44Å; F275-L323 HydrophobicContact CE2-CD2 3.34Å; F275-L323 HydrophobicContact CE2-CG 3.53Å; F275-L323 HydrophobicContact CZ-CD2 3.86Å; F275-L323 HydrophobicContact CZ-CG 4.46Å; F275-L326 HydrophobicContact CB-CD2 4.01Å; F275-L326 HydrophobicContact CB-CG 4.3Å; F275-L327 HydrophobicContact CD2-CB 3.84Å; F275-L327 HydrophobicContact CE2-CB 3.73Å; F275-L327 HydrophobicContact CE2-CD2 4.19Å; F275-L327 HydrophobicContact CE2-CG 4.37Å; F275-L327 HydrophobicContact CZ-CB 4.45Å; F275-L327 HydrophobicContact CZ-CD2 4.16Å; F275-V363 HydrophobicContact CD1-CG1 4.09Å; F275-V363 HydrophobicContact CE1-CG1 3.51Å; F275-V363 HydrophobicContact CZ-CG1 4.17Å; F275-Y367 HydrophobicContact CE1-CD2 4.19Å; F275-Y367 AromaticContact CE1-CE2 3.78Å; F275-Y367 HydrophobicContact CE1-CE2 3.78Å; F275-Y367 AromaticContact CZ-CD2 3.73Å; F275-Y367 HydrophobicContact CZ-CD2 3.73Å; F275-Y367 AromaticContact CZ-CE2 3.54Å; F275-Y367 HydrophobicContact CZ-CE2 3.54Å; F275-Y367 HydrophobicContact CZ-CG 4.36Å |
| 276 | L | 81.8 | Confident | 75.4 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | -178.1 | -67.3 | 172.6 | 0 | 0 | 0 | 111.5 | L272 L273 L279 R280 Y549 A552 L554 | L272-L276 HydrophobicContact CD1-CD1 4.25Å; L272-L276 HydrophobicContact CD1-CG 4.45Å; L272-L276 HydrophobicContact CG-CD1 4.1Å; L272-L276 WeakPolarHBondContact O-CG 3.46Å; L272-L276 PolarHBondContact O-N 3.02Å; L273-L276 PolarHBondContact O-N 2.73Å; L276-L279 WeakPolarHBondContact O-CB 3.26Å; L276-L279 PolarHBondContact O-N 2.96Å; L276-R280 PolarHBondContact O-N 3.38Å; L276-Y549 HydrophobicContact CD2-CD1 3.89Å; L276-Y549 HydrophobicContact CD2-CE1 3.55Å; L276-A552 HydrophobicContact CB-CB 3.82Å; L276-A552 HydrophobicContact CD1-CB 3.43Å; L276-A552 VanDerWaalsContact CD1-CB 3.43Å; L276-A552 HydrophobicContact CG-CB 4.25Å; L276-L554 VanDerWaalsContact C-CD1 3.47Å; L276-L554 HydrophobicContact CB-CD1 3.78Å; L276-L554 WeakPolarHBondContact O-CD1 3.01Å |
| 277 | Q | 79.7 | Confident | 72.6 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65 | -42 | 176.5 | -73 | 179.9 | 8.4 | 0 | 0 | 112.8 | S229 L273 K274 F275 L279 R280 A281 | S229-Q277 PolarHBondContact OG-NE2 3.11Å; L273-Q277 WeakPolarHBondContact O-CB 3.46Å; L273-Q277 VanDerWaalsContact O-CG 3.31Å; L273-Q277 WeakPolarHBondContact O-CG 3.39Å; L273-Q277 PolarHBondContact O-N 2.7Å; K274-Q277 PolarHBondContact O-N 3.28Å; F275-Q277 PolarHBondContact O-N 3.4Å; Q277-L279 VanDerWaalsContact C-N 3.32Å; Q277-L279 PolarHBondContact O-N 3.49Å; Q277-R280 VanDerWaalsContact O-CB 3.29Å; Q277-R280 WeakPolarHBondContact O-CB 3.01Å; Q277-R280 PolarHBondContact O-N 3.32Å; Q277-A281 PolarHBondContact O-N 3.47Å |
| 278 | N | 79.8 | Confident | 69.7 | Low | 65 Ų | 65 | 41.6 Ų | 41.6 | 35% | 0.348 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.7 | -38.5 | 175.9 | -74.7 | -8.6 | 0 | 0 | 0 | 111.6 | K274 F275 R280 A281 L282 L323 | K274-N278 VanDerWaalsContact O-CB 3.32Å; K274-N278 WeakPolarHBondContact O-CB 3.47Å; K274-N278 PolarHBondContact O-N 2.92Å; F275-N278 PolarHBondContact O-N 3.39Å; N278-R280 VanDerWaalsContact C-N 3.33Å; N278-A281 PolarHBondContact O-N 3.26Å; N278-L282 PolarHBondContact O-N 3.03Å; N278-L323 HydrophobicContact CB-CD1 3.57Å |
| 279 | L | 72.8 | Confident | 66.8 | Low | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 174.7 | -176.9 | 80 | 0 | 0 | 0 | 110.7 | F275 L276 Q277 A281 L282 I283 F320 L323 Y367 Y549 | F275-L279 WeakPolarHBondContact O-CB 3.33Å; F275-L279 PolarHBondContact O-N 3Å; L276-L279 WeakPolarHBondContact O-CB 3.26Å; L276-L279 PolarHBondContact O-N 2.96Å; Q277-L279 VanDerWaalsContact C-N 3.32Å; Q277-L279 PolarHBondContact O-N 3.49Å; L279-A281 VanDerWaalsContact C-N 3.33Å; L279-A281 PolarHBondContact O-N 3.07Å; L279-L282 WeakPolarHBondContact O-CB 3.19Å; L279-L282 PolarHBondContact O-N 3.03Å; L279-I283 HydrophobicContact CD1-CD1 4.12Å; L279-I283 HydrophobicContact CD2-CD1 4.25Å; L279-I283 HydrophobicContact CG-CD1 3.77Å; L279-I283 WeakPolarHBondContact O-CG1 3.12Å; L279-I283 PolarHBondContact O-N 2.93Å; L279-I283 VanDerWaalsContact O-N 3.14Å; L279-F320 HydrophobicContact CD1-CE1 4.14Å; L279-F320 HydrophobicContact CD1-CZ 3.72Å; L279-L323 HydrophobicContact CB-CD1 4.04Å; L279-L323 HydrophobicContact CB-CD2 4.23Å; L279-L323 HydrophobicContact CD1-CD2 3.55Å; L279-L323 HydrophobicContact CG-CD2 4.47Å; L279-Y367 WeakPolarHBondContact CD2-OH 3.49Å; L279-Y549 HydrophobicContact CD2-CE1 3.91Å; L279-Y549 WeakPolarHBondContact CD2-OH 3.43Å |
| 280 | R | 68.5 | Low | 64.1 | Low | 46 Ų | 46 | 46.7 Ų | 46.7 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56 | -48 | 174.1 | -164.3 | -146.3 | -176.3 | 137.3 | -15.6 | 111.1 | A233 L276 Q277 N278 L282 I283 T284 L554 F557 | A233-R280 PolarHBondContact O-NH1 3.46Å; L276-R280 PolarHBondContact O-N 3.38Å; Q277-R280 VanDerWaalsContact O-CB 3.29Å; Q277-R280 WeakPolarHBondContact O-CB 3.01Å; Q277-R280 PolarHBondContact O-N 3.32Å; N278-R280 VanDerWaalsContact C-N 3.33Å; R280-L282 VanDerWaalsContact C-N 3.29Å; R280-L282 PolarHBondContact O-N 3.17Å; R280-I283 PolarHBondContact O-N 3.04Å; R280-I283 VanDerWaalsContact O-N 3.16Å; R280-T284 PolarHBondContact O-N 2.79Å; R280-T284 PolarHBondContact O-OG1 3.34Å; R280-L554 HydrophobicContact CB-CD1 4Å; R280-L554 HydrophobicContact CB-CD2 3.93Å; R280-L554 VanDerWaalsContact CD-CD2 3.42Å; R280-L554 HydrophobicContact CG-CD1 4.46Å; R280-L554 HydrophobicContact CG-CD2 3.71Å; R280-F557 HydrophobicContact CB-CE2 4.09Å; R280-F557 HydrophobicContact CG-CD2 4.08Å; R280-F557 HydrophobicContact CG-CE2 3.4Å; R280-F557 VanDerWaalsContact CG-CE2 3.4Å; R280-F557 HydrophobicContact CG-CZ 4.22Å |
| 281 | A | 68 | Low | 61.4 | Low | 50 Ų | 50 | 50.3 Ų | 50.3 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q277 N278 L279 T284 | Q277-A281 PolarHBondContact O-N 3.47Å; N278-A281 PolarHBondContact O-N 3.26Å; L279-A281 VanDerWaalsContact C-N 3.33Å; L279-A281 PolarHBondContact O-N 3.07Å; A281-T284 PolarHBondContact O-OG1 2.7Å |
| 282 | L | 61.3 | Low | 58.9 | Low | 31 Ų | 31 | 49.8 Ų | 49.8 | 16% | 0.162 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 174 | -135.7 | 84.7 | 0 | 0 | 0 | 111.9 | N278 L279 R280 S285 K319 F320 | N278-L282 PolarHBondContact O-N 3.03Å; L279-L282 WeakPolarHBondContact O-CB 3.19Å; L279-L282 PolarHBondContact O-N 3.03Å; R280-L282 VanDerWaalsContact C-N 3.29Å; R280-L282 PolarHBondContact O-N 3.17Å; L282-S285 PolarHBondContact O-OG 3.5Å; L282-K319 HydrophobicContact CD1-CB 3.58Å; L282-K319 HydrophobicContact CD1-CD 4.12Å; L282-K319 HydrophobicContact CG-CB 4.39Å; L282-F320 HydrophobicContact CD2-CD2 3.44Å; L282-F320 VanDerWaalsContact CD2-CD2 3.44Å; L282-F320 HydrophobicContact CD2-CE2 3.5Å; L282-F320 VanDerWaalsContact CD2-CE2 3.5Å; L282-F320 HydrophobicContact CD2-CG 4.33Å; L282-F320 HydrophobicContact CD2-CZ 4.42Å |
| 283 | I | 51.7 | Low | 56.2 | Low | 23 Ų | 23 | 52 Ų | 52 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -81.3 | -27.9 | -171.2 | -64.7 | 166.5 | 0 | 0 | 0 | 112.4 | L279 R280 S285 A288 P290 F557 | L279-I283 HydrophobicContact CD1-CD1 4.12Å; L279-I283 HydrophobicContact CD2-CD1 4.25Å; L279-I283 HydrophobicContact CG-CD1 3.77Å; L279-I283 WeakPolarHBondContact O-CG1 3.12Å; L279-I283 PolarHBondContact O-N 2.93Å; L279-I283 VanDerWaalsContact O-N 3.14Å; R280-I283 PolarHBondContact O-N 3.04Å; R280-I283 VanDerWaalsContact O-N 3.16Å; I283-S285 PolarHBondContact O-N 2.94Å; I283-A288 WeakPolarHBondContact CG1-O 3.11Å; I283-A288 WeakPolarHBondContact CG2-O 3.47Å; I283-P290 HydrophobicContact CD1-CG 3.92Å; I283-F557 HydrophobicContact CB-CE1 3.95Å; I283-F557 HydrophobicContact CB-CZ 3.69Å; I283-F557 HydrophobicContact CD1-CD1 4.29Å; I283-F557 HydrophobicContact CD1-CE1 3.37Å; I283-F557 HydrophobicContact CD1-CZ 3.9Å; I283-F557 HydrophobicContact CG1-CE1 4.23Å; I283-F557 HydrophobicContact CG1-CZ 4.39Å; I283-F557 HydrophobicContact CG2-CE1 3.58Å; I283-F557 HydrophobicContact CG2-CZ 3.46Å; I283-F557 VanDerWaalsContact CG2-CZ 3.46Å |
| 284 | T | 49.3 | Very low | 53.7 | Low | 80 Ų | 80 | 54.9 Ų | 54.9 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -8.7 | 174.3 | 43.5 | 0 | 0 | 0 | 0 | 114.1 | R280 A281 | R280-T284 PolarHBondContact O-N 2.79Å; R280-T284 PolarHBondContact O-OG1 3.34Å; A281-T284 PolarHBondContact O-OG1 2.7Å |
| 285 | S | 37.9 | Very low | 51.1 | Low | 59 Ų | 59 | 52.1 Ų | 52.1 | 41% | 0.413 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 130.7 | 159.9 | 73.5 | 0 | 0 | 0 | 0 | 108 | L282 I283 F287 | L282-S285 PolarHBondContact O-OG 3.5Å; I283-S285 PolarHBondContact O-N 2.94Å; S285-F287 PolarHBondContact O-N 3.37Å |
| 286 | D | 33.4 | Very low | 48.6 | Very low | 163 Ų | 163 | 53 Ų | 53 | 87% | 0.872 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 13 | -164.4 | -74.6 | -44.1 | 0 | 0 | 0 | 118.2 | ||
| 287 | F | 30.8 | Very low | 46.3 | Very low | 167 Ų | 167 | 55.8 Ų | 55.8 | 73% | 0.732 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.4 | 7.1 | -169.4 | -77.6 | -79.5 | 0 | 0 | 0 | 116.9 | S285 | S285-F287 PolarHBondContact O-N 3.37Š|
| 288 | A | 30.2 | Very low | 44.1 | Very low | 18 Ų | 18 | 63.4 Ų | 63.4 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | trans | -141.3 | 65.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I283 P290 I314 | I283-A288 WeakPolarHBondContact CG1-O 3.11Å; I283-A288 WeakPolarHBondContact CG2-O 3.47Å; A288-P290 WeakPolarHBondContact O-CD 3.36Å; A288-P290 VanDerWaalsContact O-N 3.12Å; A288-I314 HydrophobicContact CB-CG2 4.46Å | ||
| 289 | T | 31.6 | Very low | 41.9 | Very low | 124 Ų | 124 | 62.3 Ų | 62.3 | 76% | 0.761 | 35% | 0.346 | S | S | * | . | trans | -61.6 | 114.3 | 149.7 | 40.9 | 0 | 0 | 0 | 0 | 106.4 | N291 | T289-N291 PolarHBondContact O-N 2.89Š| ||
| 290 | P | 32.5 | Very low | 40 | Very low | 37 Ų | 37 | 69.5 Ų | 69.5 | 24% | 0.24 | 38% | 0.384 | C | S | . | . | trans | -60.2 | 114.7 | 175.3 | 25.4 | -29.5 | 0 | 0 | 0 | 105.1 | I283 A288 P292 | I283-P290 HydrophobicContact CD1-CG 3.92Å; A288-P290 WeakPolarHBondContact O-CD 3.36Å; A288-P290 VanDerWaalsContact O-N 3.12Å; P290-P292 WeakPolarHBondContact O-CD 3.14Å; P290-P292 WeakPolarHBondContact O-CG 3.29Å | ||
| 291 | N | 34.4 | Very low | 38.3 | Very low | 75 Ų | 75 | 74.1 Ų | 74.1 | 40% | 0.401 | 40% | 0.402 | S | S | . | . | trans | -81.8 | 93.2 | 168.8 | -169 | -12.3 | 0 | 0 | 0 | 104.8 | T289 V293 V294 | T289-N291 PolarHBondContact O-N 2.89Å; N291-V293 PolarHBondContact O-N 3.49Å; N291-V293 WeakPolarHBondContact OD1-CG2 3.44Å; N291-V294 PolarHBondContact O-N 3.33Å | ||
| 292 | P | 39.2 | Very low | 36.5 | Very low | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.006 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -4.8 | -161.4 | -3.6 | 23 | 0 | 0 | 0 | 111.8 | P290 V294 S295 C296 Y538 Y561 E564 | P290-P292 WeakPolarHBondContact O-CD 3.14Å; P290-P292 WeakPolarHBondContact O-CG 3.29Å; P292-V294 PolarHBondContact O-N 3.01Å; P292-V294 VanDerWaalsContact O-N 3.12Å; P292-S295 PolarHBondContact O-N 3.29Å; P292-S295 VanDerWaalsContact O-N 3.08Å; P292-S295 PolarHBondContact O-OG 3.25Å; P292-C296 PolarHBondContact O-N 3.46Å; P292-Y538 HydrophobicContact CB-CE2 4.43Å; P292-Y538 WeakPolarHBondContact CB-OH 3.5Å; P292-Y538 WeakPolarHBondContact CG-OH 3.36Å; P292-Y561 HydrophobicContact CG-CE1 4.21Å; P292-E564 WeakPolarHBondContact CD-OE2 3.16Å; P292-E564 WeakPolarHBondContact CG-OE2 3.47Å |
| 293 | V | 33.9 | Very low | 34.9 | Very low | 57 Ų | 57 | 75.2 Ų | 75.2 | 35% | 0.345 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -48.4 | -33.7 | 162.3 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | N291 M297 | N291-V293 PolarHBondContact O-N 3.49Å; N291-V293 WeakPolarHBondContact OD1-CG2 3.44Å; V293-M297 HydrophobicContact CB-CE 4.43Å; V293-M297 HydrophobicContact CG1-CE 3.3Å; V293-M297 WeakPolarHBondContact O-CB 3.32Å; V293-M297 WeakPolarHBondContact O-CG 3.34Å |
| 294 | V | 33.6 | Very low | 33.8 | Very low | 63 Ų | 63 | 82.4 Ų | 82.4 | 38% | 0.382 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -80.5 | -34.5 | 178.9 | -174.4 | 0 | 0 | 0 | 0 | 113 | N291 P292 | N291-V294 PolarHBondContact O-N 3.33Å; P292-V294 PolarHBondContact O-N 3.01Å; P292-V294 VanDerWaalsContact O-N 3.12Å |
| 295 | S | 35.7 | Very low | 32.7 | Very low | 29 Ų | 29 | 83 Ų | 83 | 20% | 0.203 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -83.5 | -42.2 | -175.5 | 60.7 | 0 | 0 | 0 | 0 | 113.2 | P292 M297 | P292-S295 PolarHBondContact O-N 3.29Å; P292-S295 VanDerWaalsContact O-N 3.08Å; P292-S295 PolarHBondContact O-OG 3.25Å; S295-M297 PolarHBondContact O-N 3.47Å |
| 296 | C | 35.4 | Very low | 32.1 | Very low | 19 Ų | 19 | 82.8 Ų | 82.8 | 13% | 0.128 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -70.2 | -25.9 | 179.8 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | P292 K298 Y538 | P292-C296 PolarHBondContact O-N 3.46Å; C296-K298 PolarHBondContact O-N 2.76Å; C296-Y538 HydrophobicContact CB-CD2 4.04Å; C296-Y538 HydrophobicContact CB-CE2 4.02Å; C296-Y538 WeakPolarHBondContact SG-CE2 3.31Å |
| 297 | M | 32.6 | Very low | 31.8 | Very low | 60 Ų | 60 | 79.1 Ų | 79.1 | 30% | 0.296 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 35.2 | -179.2 | -61.3 | -152.1 | -98.9 | 0 | 0 | 113.4 | V293 S295 T299 A302 | V293-M297 HydrophobicContact CB-CE 4.43Å; V293-M297 HydrophobicContact CG1-CE 3.3Å; V293-M297 WeakPolarHBondContact O-CB 3.32Å; V293-M297 WeakPolarHBondContact O-CG 3.34Å; S295-M297 PolarHBondContact O-N 3.47Å; M297-T299 PolarHBondContact O-N 2.66Å; M297-A302 HydrophobicContact CB-CB 3.44Å; M297-A302 VanDerWaalsContact CB-CB 3.44Å; M297-A302 WeakPolarHBondContact O-CB 3.43Å; M297-A302 HydrophobicContact SD-CB 4.49Å |
| 298 | K | 33.6 | Very low | 31.7 | Very low | 165 Ų | 165 | 73 Ų | 73 | 72% | 0.717 | 39% | 0.39 | S | S | * | . | trans | -72 | 27.1 | 160.8 | -77.2 | -169.5 | 177.3 | -179.4 | 0 | 113.2 | C296 | C296-K298 PolarHBondContact O-N 2.76Š| ||
| 299 | T | 34.3 | Very low | 31.4 | Very low | 42 Ų | 42 | 78.9 Ų | 78.9 | 26% | 0.258 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -75.4 | 153.8 | 165.3 | 62.3 | 0 | 0 | 0 | 0 | 108.8 | M297 Y301 A302 | M297-T299 PolarHBondContact O-N 2.66Å; T299-Y301 PolarHBondContact O-N 2.98Å; T299-A302 PolarHBondContact O-N 3.19Å |
| 300 | N | 31.7 | Very low | 31.2 | Very low | 150 Ų | 150 | 82 Ų | 82 | 80% | 0.802 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -12.4 | 176.7 | -80 | -24.6 | 0 | 0 | 0 | 114.4 | T303 | N300-T303 PolarHBondContact O-OG1 3.43Š|
| 301 | Y | 33.3 | Very low | 30.9 | Very low | 143 Ų | 143 | 85.6 Ų | 85.6 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -20.7 | 177.2 | -76.5 | -82 | 0 | 0 | 0 | 114.1 | T299 | T299-Y301 PolarHBondContact O-N 2.98Š|
| 302 | A | 30.3 | Very low | 30.5 | Very low | 4 Ų | 4 | 88.3 Ų | 88.3 | 3% | 0.033 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -5.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | M297 T299 R304 F305 C306 | M297-A302 HydrophobicContact CB-CB 3.44Å; M297-A302 VanDerWaalsContact CB-CB 3.44Å; M297-A302 WeakPolarHBondContact O-CB 3.43Å; M297-A302 HydrophobicContact SD-CB 4.49Å; T299-A302 PolarHBondContact O-N 3.19Å; A302-R304 PolarHBondContact O-N 2.93Å; A302-F305 HydrophobicContact CB-CB 4.26Å; A302-F305 PolarHBondContact O-N 3.27Å; A302-C306 WeakPolarHBondContact O-CB 3.44Å; A302-C306 PolarHBondContact O-N 3.35Å; A302-C306 PolarHBondContact O-SG 3.27Å |
| 303 | T | 27.7 | Very low | 29.8 | Very low | 100 Ų | 100 | 92.3 Ų | 92.3 | 61% | 0.613 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -55.4 | -27.6 | 154.3 | 30.2 | 0 | 0 | 0 | 0 | 111.4 | N300 S307 | N300-T303 PolarHBondContact O-OG1 3.43Å; T303-S307 PolarHBondContact O-N 3.06Å; T303-S307 PolarHBondContact O-OG 2.96Å |
| 304 | R | 27.9 | Very low | 29.6 | Very low | 175 Ų | 175 | 93.6 Ų | 93.6 | 66% | 0.66 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -77.2 | -18.5 | 171.1 | -73 | -175.8 | 176.6 | 174 | -1.3 | 114.9 | A302 S307 | A302-R304 PolarHBondContact O-N 2.93Å; R304-S307 PolarHBondContact O-OG 3.41Å |
| 305 | F | 26.6 | Very low | 29.5 | Very low | 93 Ų | 93 | 95.9 Ų | 95.9 | 41% | 0.408 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -90 | -34.9 | 174.5 | -129.7 | -85.6 | 0 | 0 | 0 | 111.3 | A302 S308 L517 F527 | A302-F305 HydrophobicContact CB-CB 4.26Å; A302-F305 PolarHBondContact O-N 3.27Å; F305-S308 PolarHBondContact O-OG 3.49Å; F305-L517 HydrophobicContact CZ-CD2 4.25Å; F305-F527 HydrophobicContact CE2-CZ 4.28Å |
| 306 | C | 26.6 | Very low | 29.6 | Very low | 54 Ų | 54 | 95.1 Ų | 95.1 | 37% | 0.365 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -80.5 | -14.9 | -178.3 | -59.9 | 0 | 0 | 0 | 0 | 113.9 | A302 S308 | A302-C306 WeakPolarHBondContact O-CB 3.44Å; A302-C306 PolarHBondContact O-N 3.35Å; A302-C306 PolarHBondContact O-SG 3.27Å; C306-S308 PolarHBondContact O-N 3.48Å |
| 307 | S | 26.9 | Very low | 29.8 | Very low | 86 Ų | 86 | 99.7 Ų | 99.7 | 60% | 0.601 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 3.6 | 173.9 | 50.9 | 0 | 0 | 0 | 0 | 114 | T303 R304 N309 | T303-S307 PolarHBondContact O-N 3.06Å; T303-S307 PolarHBondContact O-OG 2.96Å; R304-S307 PolarHBondContact O-OG 3.41Å; S307-N309 PolarHBondContact O-N 3.08Å |
| 308 | S | 28 | Very low | 30.5 | Very low | 38 Ų | 38 | 104.1 Ų | 104.1 | 27% | 0.266 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -83.4 | 106.1 | 165.4 | 66.8 | 0 | 0 | 0 | 0 | 109.8 | F305 C306 K310 F311 | F305-S308 PolarHBondContact O-OG 3.49Å; C306-S308 PolarHBondContact O-N 3.48Å; S308-K310 PolarHBondContact O-N 3.24Å; S308-F311 PolarHBondContact O-N 3.1Å |
| 309 | N | 25 | Very low | 31.5 | Very low | 141 Ų | 141 | 102.5 Ų | 102.5 | 75% | 0.754 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 9 | -178.4 | -70.1 | -8.3 | 0 | 0 | 0 | 117.1 | S307 | S307-N309 PolarHBondContact O-N 3.08Š|
| 310 | K | 25.6 | Very low | 32.8 | Very low | 189 Ų | 189 | 103.7 Ų | 103.7 | 82% | 0.822 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -9.2 | 176.5 | -73 | -171.3 | 176.6 | -179 | 0 | 114 | S308 | S308-K310 PolarHBondContact O-N 3.24Š|
| 311 | F | 26.5 | Very low | 34.6 | Very low | 113 Ų | 113 | 98.4 Ų | 98.4 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -99.1 | -9.5 | 179.3 | -79.8 | -78.3 | 0 | 0 | 0 | 115.2 | S308 A313 | S308-F311 PolarHBondContact O-N 3.1Å; F311-A313 PolarHBondContact O-N 3.03Å; F311-A313 VanDerWaalsContact O-N 3.08Å |
| 312 | D | 25.6 | Very low | 36.6 | Very low | 132 Ų | 132 | 95.8 Ų | 95.8 | 71% | 0.706 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 0.8 | 173.7 | -73.5 | -29.2 | 0 | 0 | 0 | 113.9 | I314 | D312-I314 VanDerWaalsContact C-N 3.3Å; D312-I314 PolarHBondContact O-N 3.17Å |
| 313 | A | 26 | Very low | 38.9 | Very low | 85 Ų | 85 | 96 Ų | 96 | 70% | 0.702 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 3.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F311 S315 | F311-A313 PolarHBondContact O-N 3.03Å; F311-A313 VanDerWaalsContact O-N 3.08Å; A313-S315 PolarHBondContact O-N 3.26Å; A313-S315 VanDerWaalsContact O-N 3.12Å |
| 314 | I | 29.8 | Very low | 41.4 | Very low | 84 Ų | 84 | 93.3 Ų | 93.3 | 43% | 0.431 | 51% | 0.511 | S | S | . | . | trans | -81.4 | 96.3 | 169.9 | -52.1 | 179.8 | 0 | 0 | 0 | 107.8 | A288 D312 G316 | A288-I314 HydrophobicContact CB-CG2 4.46Å; D312-I314 VanDerWaalsContact C-N 3.3Å; D312-I314 PolarHBondContact O-N 3.17Å; I314-G316 PolarHBondContact O-N 3.36Å | ||
| 315 | S | 31.2 | Very low | 44 | Very low | 111 Ų | 111 | 88.5 Ų | 88.5 | 78% | 0.776 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 32.3 | 178.4 | 52 | 0 | 0 | 0 | 0 | 115.8 | A313 | A313-S315 PolarHBondContact O-N 3.26Å; A313-S315 VanDerWaalsContact O-N 3.12Å |
| 316 | G | 36.7 | Very low | 46.9 | Very low | 14 Ų | 14 | 85.3 Ų | 85.3 | 14% | 0.144 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | 6.9 | -173 | 0 | 0 | 0 | 0 | 0 | 115.7 | I314 D318 K319 F320 | I314-G316 PolarHBondContact O-N 3.36Å; G316-D318 PolarHBondContact O-N 3.02Å; G316-K319 PolarHBondContact O-N 3.44Å; G316-F320 PolarHBondContact O-N 3.46Å |
| 317 | V | 39.4 | Very low | 49.8 | Very low | 114 Ų | 114 | 82.8 Ų | 82.8 | 69% | 0.691 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -53.2 | -41.6 | 180 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | K319 F320 | V317-K319 VanDerWaalsContact C-N 3.25Å; V317-K319 PolarHBondContact O-N 3.07Å; V317-F320 PolarHBondContact O-N 2.93Å; V317-F320 VanDerWaalsContact O-N 3.11Å |
| 318 | D | 48.8 | Very low | 52.7 | Low | 153 Ų | 153 | 84.4 Ų | 84.4 | 82% | 0.818 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.7 | -31 | 177.9 | -61.6 | -22.4 | 0 | 0 | 0 | 112.9 | G316 P322 | G316-D318 PolarHBondContact O-N 3.02Å; D318-P322 WeakPolarHBondContact O-CD 3.32Å |
| 319 | K | 54 | Low | 55.7 | Low | 131 Ų | 131 | 86.5 Ų | 86.5 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -82.3 | -18.4 | 178.4 | -54.5 | -173.6 | 176.8 | 178.1 | 0 | 113.1 | L282 G316 V317 | L282-K319 HydrophobicContact CD1-CB 3.58Å; L282-K319 HydrophobicContact CD1-CD 4.12Å; L282-K319 HydrophobicContact CG-CB 4.39Å; G316-K319 PolarHBondContact O-N 3.44Å; V317-K319 VanDerWaalsContact C-N 3.25Å; V317-K319 PolarHBondContact O-N 3.07Å |
| 320 | F | 60.7 | Low | 58.8 | Low | 67 Ų | 67 | 79.8 Ų | 79.8 | 29% | 0.294 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -77.1 | -26.7 | 176.7 | -114.8 | -84 | 0 | 0 | 0 | 112.6 | L279 L282 G316 V317 L323 M324 Y367 | L279-F320 HydrophobicContact CD1-CE1 4.14Å; L279-F320 HydrophobicContact CD1-CZ 3.72Å; L282-F320 HydrophobicContact CD2-CD2 3.44Å; L282-F320 VanDerWaalsContact CD2-CD2 3.44Å; L282-F320 HydrophobicContact CD2-CE2 3.5Å; L282-F320 VanDerWaalsContact CD2-CE2 3.5Å; L282-F320 HydrophobicContact CD2-CG 4.33Å; L282-F320 HydrophobicContact CD2-CZ 4.42Å; G316-F320 PolarHBondContact O-N 3.46Å; V317-F320 PolarHBondContact O-N 2.93Å; V317-F320 VanDerWaalsContact O-N 3.11Å; F320-L323 HydrophobicContact CD1-CD2 3.99Å; F320-L323 HydrophobicContact CE1-CD2 3.73Å; F320-L323 HydrophobicContact CZ-CD2 4.41Å; F320-L323 WeakPolarHBondContact O-CB 3.5Å; F320-L323 PolarHBondContact O-N 3.26Å; F320-L323 VanDerWaalsContact O-N 3.15Å; F320-M324 HydrophobicContact CD1-CG 4.19Å; F320-M324 HydrophobicContact CD1-SD 4.39Å; F320-M324 WeakPolarHBondContact O-CG 3.42Å; F320-M324 PolarHBondContact O-N 3.26Å; F320-Y367 HydrophobicContact CE1-CE1 4.17Å |
| 321 | G | 70 | Confident | 61.9 | Low | 39 Ų | 39 | 71 Ų | 71 | 40% | 0.402 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -51.1 | -59.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L323 M324 T325 | G321-L323 PolarHBondContact O-N 3.06Å; G321-M324 PolarHBondContact O-N 3.15Å; G321-T325 PolarHBondContact O-N 2.89Å; G321-T325 PolarHBondContact O-OG1 3.47Å; G321-T325 VanDerWaalsContact O-OG1 3.1Å |
| 322 | P | 75.3 | Confident | 65 | Low | 89 Ų | 89 | 71.3 Ų | 71.3 | 58% | 0.578 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.5 | -34.4 | 177.4 | -25.3 | 34.2 | 0 | 0 | 0 | 113.8 | D318 T325 L326 | D318-P322 WeakPolarHBondContact O-CD 3.32Å; P322-T325 PolarHBondContact O-N 2.88Å; P322-L326 PolarHBondContact O-N 2.7Å |
| 323 | L | 77.9 | Confident | 68.1 | Low | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.037 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67 | -42.7 | 178.5 | -164.8 | 104.3 | 0 | 0 | 0 | 111.5 | F275 N278 L279 F320 G321 L326 L327 | F275-L323 HydrophobicContact CD2-CD1 4.33Å; F275-L323 HydrophobicContact CD2-CD2 4.03Å; F275-L323 HydrophobicContact CD2-CG 3.72Å; F275-L323 WeakPolarHBondContact CD2-O 3.27Å; F275-L323 HydrophobicContact CE2-CD1 4.44Å; F275-L323 HydrophobicContact CE2-CD2 3.34Å; F275-L323 HydrophobicContact CE2-CG 3.53Å; F275-L323 HydrophobicContact CZ-CD2 3.86Å; F275-L323 HydrophobicContact CZ-CG 4.46Å; N278-L323 HydrophobicContact CB-CD1 3.57Å; L279-L323 HydrophobicContact CB-CD1 4.04Å; L279-L323 HydrophobicContact CB-CD2 4.23Å; L279-L323 HydrophobicContact CD1-CD2 3.55Å; L279-L323 HydrophobicContact CG-CD2 4.47Å; F320-L323 HydrophobicContact CD1-CD2 3.99Å; F320-L323 HydrophobicContact CE1-CD2 3.73Å; F320-L323 HydrophobicContact CZ-CD2 4.41Å; F320-L323 WeakPolarHBondContact O-CB 3.5Å; F320-L323 PolarHBondContact O-N 3.26Å; F320-L323 VanDerWaalsContact O-N 3.15Å; G321-L323 PolarHBondContact O-N 3.06Å; L323-L326 PolarHBondContact O-N 3.02Å; L323-L327 PolarHBondContact O-N 2.83Å |
| 324 | M | 79.8 | Confident | 71.3 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 22% | 0.217 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.5 | -33.3 | 176.5 | -69.4 | -55.2 | -56.8 | 0 | 0 | 112.2 | F320 G321 L327 K328 Y367 | F320-M324 HydrophobicContact CD1-CG 4.19Å; F320-M324 HydrophobicContact CD1-SD 4.39Å; F320-M324 WeakPolarHBondContact O-CG 3.42Å; F320-M324 PolarHBondContact O-N 3.26Å; G321-M324 PolarHBondContact O-N 3.15Å; M324-L327 HydrophobicContact CE-CD2 4.16Å; M324-L327 PolarHBondContact O-N 2.92Å; M324-K328 WeakPolarHBondContact O-CG 3.4Å; M324-K328 PolarHBondContact O-N 3.33Å; M324-Y367 HydrophobicContact SD-CD1 4.3Å; M324-Y367 HydrophobicContact SD-CG 4.46Å |
| 325 | T | 84.5 | Confident | 74.1 | Confident | 75 Ų | 75 | 61.5 Ų | 61.5 | 46% | 0.46 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 170.7 | -51.2 | 0 | 0 | 0 | 0 | 110.5 | G321 P322 L327 K328 D329 | G321-T325 PolarHBondContact O-N 2.89Å; G321-T325 PolarHBondContact O-OG1 3.47Å; G321-T325 VanDerWaalsContact O-OG1 3.1Å; P322-T325 PolarHBondContact O-N 2.88Å; T325-L327 VanDerWaalsContact C-N 3.29Å; T325-L327 PolarHBondContact O-N 3.14Å; T325-K328 WeakPolarHBondContact O-CB 3.14Å; T325-K328 PolarHBondContact O-N 3.48Å; T325-D329 PolarHBondContact O-N 2.82Å |
| 326 | L | 86.9 | Confident | 76.9 | Confident | 26 Ų | 26 | 59.9 Ų | 59.9 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59 | -38.6 | 177.5 | -179.5 | 63.1 | 0 | 0 | 0 | 112.9 | K274 F275 P322 L323 T330 | K274-L326 HydrophobicContact CB-CD2 4.22Å; K274-L326 HydrophobicContact CD-CD1 4.5Å; K274-L326 HydrophobicContact CD-CD2 4.2Å; K274-L326 HydrophobicContact CG-CD2 3.91Å; F275-L326 HydrophobicContact CB-CD2 4.01Å; F275-L326 HydrophobicContact CB-CG 4.3Å; P322-L326 PolarHBondContact O-N 2.7Å; L323-L326 PolarHBondContact O-N 3.02Å; L326-T330 WeakPolarHBondContact O-CB 3.42Å; L326-T330 PolarHBondContact O-N 2.95Å; L326-T330 PolarHBondContact O-OG1 3.5Å |
| 327 | L | 86.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.5 | -45 | 174.2 | 179.3 | 59.2 | 0 | 0 | 0 | 111.4 | F275 L323 M324 T325 T330 I331 V363 Y367 | F275-L327 HydrophobicContact CD2-CB 3.84Å; F275-L327 HydrophobicContact CE2-CB 3.73Å; F275-L327 HydrophobicContact CE2-CD2 4.19Å; F275-L327 HydrophobicContact CE2-CG 4.37Å; F275-L327 HydrophobicContact CZ-CB 4.45Å; F275-L327 HydrophobicContact CZ-CD2 4.16Å; L323-L327 PolarHBondContact O-N 2.83Å; M324-L327 HydrophobicContact CE-CD2 4.16Å; M324-L327 PolarHBondContact O-N 2.92Å; T325-L327 VanDerWaalsContact C-N 3.29Å; T325-L327 PolarHBondContact O-N 3.14Å; L327-T330 WeakPolarHBondContact O-CB 3.41Å; L327-T330 PolarHBondContact O-N 3.31Å; L327-I331 HydrophobicContact CD1-CD1 4.21Å; L327-I331 HydrophobicContact CD1-CG1 4.34Å; L327-I331 HydrophobicContact CG-CD1 3.96Å; L327-I331 VanDerWaalsContact O-CG1 3.25Å; L327-I331 WeakPolarHBondContact O-CG1 3.47Å; L327-I331 PolarHBondContact O-N 3.01Å; L327-V363 HydrophobicContact CD1-CG1 3.82Å; L327-V363 HydrophobicContact CD2-CG1 4.45Å; L327-Y367 HydrophobicContact CD2-CD2 4.09Å; L327-Y367 HydrophobicContact CD2-CG 4.13Å |
| 328 | K | 88.9 | Confident | 81.8 | Confident | 120 Ų | 120 | 55.9 Ų | 55.9 | 52% | 0.522 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 176.9 | -74.2 | 178 | 177.8 | -176.5 | 0 | 111.9 | M324 T325 T330 I331 E332 | M324-K328 WeakPolarHBondContact O-CG 3.4Å; M324-K328 PolarHBondContact O-N 3.33Å; T325-K328 WeakPolarHBondContact O-CB 3.14Å; T325-K328 PolarHBondContact O-N 3.48Å; K328-T330 VanDerWaalsContact C-N 3.27Å; K328-T330 PolarHBondContact O-N 2.99Å; K328-I331 WeakPolarHBondContact O-CB 3.49Å; K328-I331 PolarHBondContact O-N 3.47Å; K328-E332 PolarHBondContact O-N 2.94Å |
| 329 | D | 90.1 | Very high | 83.8 | Confident | 83 Ų | 83 | 49.8 Ų | 49.8 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 176.6 | -58.6 | -17.2 | 0 | 0 | 0 | 111 | T325 E332 L333 | T325-D329 PolarHBondContact O-N 2.82Å; D329-E332 PolarHBondContact O-N 3.2Å; D329-L333 VanDerWaalsContact O-CB 3.29Å; D329-L333 WeakPolarHBondContact O-CB 3.46Å; D329-L333 PolarHBondContact O-N 3.05Å |
| 330 | T | 90.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 176.5 | -54 | 0 | 0 | 0 | 0 | 111.6 | S271 L272 L326 L327 K328 C334 V360 | S271-T330 WeakPolarHBondContact CB-OG1 3.24Å; S271-T330 PolarHBondContact OG-OG1 3.24Å; L272-T330 HydrophobicContact CB-CG2 4.29Å; L326-T330 WeakPolarHBondContact O-CB 3.42Å; L326-T330 PolarHBondContact O-N 2.95Å; L326-T330 PolarHBondContact O-OG1 3.5Å; L327-T330 WeakPolarHBondContact O-CB 3.41Å; L327-T330 PolarHBondContact O-N 3.31Å; K328-T330 VanDerWaalsContact C-N 3.27Å; K328-T330 PolarHBondContact O-N 2.99Å; T330-C334 VanDerWaalsContact O-CB 3.24Å; T330-C334 WeakPolarHBondContact O-CB 3.25Å; T330-C334 PolarHBondContact O-N 3.4Å; T330-V360 HydrophobicContact CG2-CG2 4.35Å |
| 331 | I | 90.8 | Very high | 86.6 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 176.3 | -68.5 | 165.1 | 0 | 0 | 0 | 110.3 | L327 K328 C334 Q335 V360 S364 N369 Q372 M376 | L327-I331 HydrophobicContact CD1-CD1 4.21Å; L327-I331 HydrophobicContact CD1-CG1 4.34Å; L327-I331 HydrophobicContact CG-CD1 3.96Å; L327-I331 VanDerWaalsContact O-CG1 3.25Å; L327-I331 WeakPolarHBondContact O-CG1 3.47Å; L327-I331 PolarHBondContact O-N 3.01Å; K328-I331 WeakPolarHBondContact O-CB 3.49Å; K328-I331 PolarHBondContact O-N 3.47Å; I331-C334 WeakPolarHBondContact O-CB 3.23Å; I331-C334 PolarHBondContact O-N 3.48Å; I331-Q335 HydrophobicContact CG2-CG 4.38Å; I331-Q335 WeakPolarHBondContact O-CB 3.48Å; I331-Q335 WeakPolarHBondContact O-CG 3.38Å; I331-Q335 PolarHBondContact O-N 3.15Å; I331-V360 HydrophobicContact CG1-CG1 4.12Å; I331-S364 WeakPolarHBondContact CD1-OG 3.18Å; I331-S364 VanDerWaalsContact CG1-OG 3.24Å; I331-S364 WeakPolarHBondContact CG1-OG 3.38Å; I331-N369 HydrophobicContact CD1-CB 3.8Å; I331-Q372 HydrophobicContact CG2-CB 3.54Å; I331-Q372 HydrophobicContact CG2-CG 3.77Å; I331-M376 HydrophobicContact CG2-CE 4.34Å |
| 332 | E | 92.6 | Very high | 87.4 | Confident | 119 Ų | 119 | 49 Ų | 49 | 56% | 0.556 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.7 | -45.7 | 179.7 | -175.5 | 172.5 | -177.7 | 0 | 0 | 111.7 | K328 D329 C334 Q335 S336 | K328-E332 PolarHBondContact O-N 2.94Å; D329-E332 PolarHBondContact O-N 3.2Å; E332-C334 VanDerWaalsContact C-N 3.27Å; E332-C334 PolarHBondContact O-N 3.09Å; E332-Q335 PolarHBondContact O-N 3.07Å; E332-S336 VanDerWaalsContact O-CB 3.24Å; E332-S336 WeakPolarHBondContact O-CB 3.41Å; E332-S336 PolarHBondContact O-N 3.41Å; E332-S336 PolarHBondContact O-OG 3.21Å |
| 333 | L | 90.8 | Very high | 87.7 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -59 | -40.6 | 174.9 | -176.1 | 69.3 | 0 | 0 | 0 | 111.7 | L264 L267 C268 D329 S337 L338 | L264-L333 HydrophobicContact CD2-CD1 4.25Å; L267-L333 HydrophobicContact CB-CD2 3.88Å; C268-L333 HydrophobicContact CB-CD2 4.43Å; C268-L333 VanDerWaalsContact SG-CD2 3.57Å; C268-L333 VanDerWaalsContact SG-CG 3.51Å; D329-L333 VanDerWaalsContact O-CB 3.29Å; D329-L333 WeakPolarHBondContact O-CB 3.46Å; D329-L333 PolarHBondContact O-N 3.05Å; L333-S337 WeakPolarHBondContact O-CB 3.32Å; L333-S337 PolarHBondContact O-N 3.33Å; L333-L338 PolarHBondContact O-N 3.1Å |
| 334 | C | 91.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -65 | -49.9 | 177.6 | -167.8 | 0 | 0 | 0 | 0 | 111.6 | T330 I331 E332 L338 I339 V357 V360 M376 | T330-C334 VanDerWaalsContact O-CB 3.24Å; T330-C334 WeakPolarHBondContact O-CB 3.25Å; T330-C334 PolarHBondContact O-N 3.4Å; I331-C334 WeakPolarHBondContact O-CB 3.23Å; I331-C334 PolarHBondContact O-N 3.48Å; E332-C334 VanDerWaalsContact C-N 3.27Å; E332-C334 PolarHBondContact O-N 3.09Å; C334-L338 WeakPolarHBondContact O-CB 3.41Å; C334-L338 PolarHBondContact O-N 3.44Å; C334-I339 WeakPolarHBondContact O-CB 3.48Å; C334-I339 WeakPolarHBondContact O-CG1 3.44Å; C334-I339 PolarHBondContact O-N 3Å; C334-V357 VanDerWaalsContact SG-CG2 3.58Å; C334-V360 HydrophobicContact CB-CG1 4.44Å; C334-M376 HydrophobicContact CB-SD 4.48Å |
| 335 | Q | 90.3 | Very high | 87.9 | Confident | 49 Ų | 49 | 50.8 Ų | 50.8 | 23% | 0.229 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -75.2 | -44.9 | -175.4 | -70.2 | -174.8 | -40.2 | 0 | 0 | 113.8 | I331 E332 P340 Q372 M376 | I331-Q335 HydrophobicContact CG2-CG 4.38Å; I331-Q335 WeakPolarHBondContact O-CB 3.48Å; I331-Q335 WeakPolarHBondContact O-CG 3.38Å; I331-Q335 PolarHBondContact O-N 3.15Å; E332-Q335 PolarHBondContact O-N 3.07Å; Q335-P340 WeakPolarHBondContact O-CD 3.5Å; Q335-Q372 PolarHBondContact NE2-O 3.07Å; Q335-M376 HydrophobicContact CG-CG 3.8Å; Q335-M376 HydrophobicContact CG-SD 4.16Å |
| 336 | S | 89.3 | Confident | 87.5 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -88.3 | -24.6 | -171.5 | -59 | 0 | 0 | 0 | 0 | 113.3 | E332 | E332-S336 VanDerWaalsContact O-CB 3.24Å; E332-S336 WeakPolarHBondContact O-CB 3.41Å; E332-S336 PolarHBondContact O-N 3.41Å; E332-S336 PolarHBondContact O-OG 3.21Å |
| 337 | S | 88.4 | Confident | 86.8 | Confident | 44 Ų | 44 | 53 Ų | 53 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -118.4 | -50.5 | -174.3 | -48.5 | 0 | 0 | 0 | 0 | 113.1 | L333 R341 | L333-S337 WeakPolarHBondContact O-CB 3.32Å; L333-S337 PolarHBondContact O-N 3.33Å; S337-R341 WeakPolarHBondContact O-CG 3.35Å |
| 338 | L | 90.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -73.8 | -52 | -174.5 | -177.3 | 61.5 | 0 | 0 | 0 | 112.7 | L264 H265 C268 L333 C334 R341 Y342 I353 L356 | L264-L338 HydrophobicContact CB-CD1 3.83Å; H265-L338 HydrophobicContact CB-CD1 4.06Å; C268-L338 HydrophobicContact CB-CD2 4.08Å; L333-L338 PolarHBondContact O-N 3.1Å; C334-L338 WeakPolarHBondContact O-CB 3.41Å; C334-L338 PolarHBondContact O-N 3.44Å; L338-R341 PolarHBondContact O-N 3.44Å; L338-R341 VanDerWaalsContact O-N 3.08Å; L338-Y342 PolarHBondContact O-N 3.23Å; L338-I353 HydrophobicContact CD1-CD1 4.23Å; L338-I353 HydrophobicContact CD1-CG1 4.04Å; L338-I353 HydrophobicContact CD1-CG2 4.46Å; L338-I353 HydrophobicContact CD2-CG2 4.18Å; L338-I353 HydrophobicContact CG-CG1 4.47Å; L338-I353 HydrophobicContact CG-CG2 4.01Å; L338-L356 HydrophobicContact CD2-CD2 3.98Å |
| 339 | I | 90.6 | Very high | 85.5 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 12% | 0.123 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.5 | -47.9 | -178.3 | -80.7 | 178.9 | 0 | 0 | 0 | 112.5 | C334 R341 Y342 V357 M376 W379 | C334-I339 WeakPolarHBondContact O-CB 3.48Å; C334-I339 WeakPolarHBondContact O-CG1 3.44Å; C334-I339 PolarHBondContact O-N 3Å; I339-R341 PolarHBondContact O-N 2.9Å; I339-R341 VanDerWaalsContact O-N 3.16Å; I339-Y342 WeakPolarHBondContact O-CB 3.45Å; I339-Y342 PolarHBondContact O-N 3.48Å; I339-Y342 VanDerWaalsContact O-N 3.11Å; I339-V357 HydrophobicContact CD1-CG1 4.16Å; I339-V357 HydrophobicContact CD1-CG2 4.46Å; I339-V357 HydrophobicContact CG1-CG2 4.12Å; I339-M376 HydrophobicContact CD1-CG 4.27Å; I339-W379 HydrophobicContact CB-CD2 4.41Å; I339-W379 HydrophobicContact CD1-CB 4.26Å; I339-W379 HydrophobicContact CD1-CD2 3.78Å; I339-W379 HydrophobicContact CD1-CE3 3.85Å; I339-W379 HydrophobicContact CD1-CG 3.95Å; I339-W379 HydrophobicContact CG1-CD2 3.76Å; I339-W379 HydrophobicContact CG1-CE3 3.9Å; I339-W379 HydrophobicContact CG1-CG 4.28Å; I339-W379 HydrophobicContact CG1-CH2 4.41Å; I339-W379 HydrophobicContact CG1-CZ2 4.26Å; I339-W379 HydrophobicContact CG1-CZ3 4.23Å; I339-W379 VanDerWaalsContact CG2-CD1 3.48Å; I339-W379 HydrophobicContact CG2-CD2 3.95Å; I339-W379 HydrophobicContact CG2-CG 3.8Å; I339-W379 HydrophobicContact CG2-CZ2 4.48Å |
| 340 | P | 88.7 | Confident | 85.2 | Confident | 82 Ų | 82 | 52 Ų | 52 | 53% | 0.532 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.7 | -26.2 | 178.7 | -28 | 37.4 | 0 | 0 | 0 | 114.4 | Q335 Y342 | Q335-P340 WeakPolarHBondContact O-CD 3.5Å; P340-Y342 VanDerWaalsContact C-N 3.35Å |
| 341 | R | 85.4 | Confident | 84.7 | Confident | 101 Ų | 101 | 56.4 Ų | 56.4 | 38% | 0.381 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -84.5 | -8.2 | -179.4 | -66.7 | -69.6 | -168.3 | 170.2 | 4.8 | 113.5 | E259 P261 L264 S337 L338 I339 A343 S344 A345 | E259-R341 IonicContact OE2-NH2 2.77Å; P261-R341 HydrophobicContact CB-CB 4.23Å; P261-R341 HydrophobicContact CG-CB 4.16Å; L264-R341 HydrophobicContact CD1-CG 3.81Å; S337-R341 WeakPolarHBondContact O-CG 3.35Å; L338-R341 PolarHBondContact O-N 3.44Å; L338-R341 VanDerWaalsContact O-N 3.08Å; I339-R341 PolarHBondContact O-N 2.9Å; I339-R341 VanDerWaalsContact O-N 3.16Å; R341-A343 VanDerWaalsContact C-N 3.27Å; R341-A343 PolarHBondContact O-N 3.29Å; R341-S344 PolarHBondContact O-N 3Å; R341-S344 VanDerWaalsContact O-N 3.17Å; R341-S344 PolarHBondContact O-OG 3.46Å; R341-A345 PolarHBondContact O-N 2.83Å |
| 342 | Y | 86.6 | Confident | 84.4 | Confident | 39 Ų | 39 | 58.9 Ų | 58.9 | 15% | 0.153 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -56 | -39 | 177.2 | 177.3 | -99 | 0 | 0 | 0 | 113.2 | L338 I339 P340 S344 A345 K350 I353 T354 W379 A383 | L338-Y342 PolarHBondContact O-N 3.23Å; I339-Y342 WeakPolarHBondContact O-CB 3.45Å; I339-Y342 PolarHBondContact O-N 3.48Å; I339-Y342 VanDerWaalsContact O-N 3.11Å; P340-Y342 VanDerWaalsContact C-N 3.35Å; Y342-S344 PolarHBondContact O-N 2.9Å; Y342-A345 WeakPolarHBondContact O-CB 3.4Å; Y342-A345 PolarHBondContact O-N 3.13Å; Y342-K350 HydrophobicContact CD2-CB 4.11Å; Y342-K350 HydrophobicContact CD2-CG 3.81Å; Y342-K350 HydrophobicContact CE1-CD 4.12Å; Y342-K350 HydrophobicContact CE1-CG 4.32Å; Y342-K350 HydrophobicContact CE2-CB 3.37Å; Y342-K350 HydrophobicContact CE2-CD 4.04Å; Y342-K350 HydrophobicContact CE2-CG 3.42Å; Y342-K350 VanDerWaalsContact CE2-CG 3.42Å; Y342-K350 HydrophobicContact CG-CG 4.41Å; Y342-K350 WeakPolarHBondContact O-CE 3.32Å; Y342-I353 HydrophobicContact CD2-CB 4.23Å; Y342-I353 HydrophobicContact CD2-CD1 4.3Å; Y342-I353 HydrophobicContact CD2-CG2 4.07Å; Y342-T354 HydrophobicContact CE2-CG2 3.89Å; Y342-W379 AromaticContact CD1-CZ2 3.9Å; Y342-W379 HydrophobicContact CD1-CZ2 3.9Å; Y342-W379 AromaticContact CD2-CH2 3.73Å; Y342-W379 HydrophobicContact CD2-CH2 3.73Å; Y342-W379 AromaticContact CD2-CZ2 3.62Å; Y342-W379 HydrophobicContact CD2-CZ2 3.62Å; Y342-W379 HydrophobicContact CE1-CZ2 4.45Å; Y342-W379 HydrophobicContact CE2-CH2 4.1Å; Y342-W379 HydrophobicContact CE2-CZ2 4.19Å; Y342-W379 HydrophobicContact CG-CH2 4.07Å; Y342-W379 AromaticContact CG-CZ2 3.46Å; Y342-W379 HydrophobicContact CG-CZ2 3.46Å; Y342-W379 VanDerWaalsContact CG-CZ2 3.46Å; Y342-A383 HydrophobicContact CE1-CB 3.82Å; Y342-A383 HydrophobicContact CE2-CB 4.41Å; Y342-A383 PolarHBondContact OH-O 3.1Å; Y342-A383 VanDerWaalsContact OH-O 3.13Å |
| 343 | A | 81.9 | Confident | 84.2 | Confident | 85 Ų | 85 | 53.3 Ų | 53.3 | 70% | 0.702 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -60.6 | -35.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R341 | R341-A343 VanDerWaalsContact C-N 3.27Å; R341-A343 PolarHBondContact O-N 3.29Å |
| 344 | S | 80.8 | Confident | 84.1 | Confident | 82 Ų | 82 | 52 Ų | 52 | 57% | 0.573 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -85.3 | -6.4 | 177.4 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | R341 Y342 | R341-S344 PolarHBondContact O-N 3Å; R341-S344 VanDerWaalsContact O-N 3.17Å; R341-S344 PolarHBondContact O-OG 3.46Å; Y342-S344 PolarHBondContact O-N 2.9Å |
| 345 | A | 81.3 | Confident | 83.7 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -79.6 | 151.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P261 R341 Y342 E349 K350 I353 | P261-A345 HydrophobicContact CB-CB 4.29Å; R341-A345 PolarHBondContact O-N 2.83Å; Y342-A345 WeakPolarHBondContact O-CB 3.4Å; Y342-A345 PolarHBondContact O-N 3.13Å; A345-E349 HydrophobicContact CB-CB 3.96Å; A345-K350 HydrophobicContact CB-CG 4.08Å; A345-K350 VanDerWaalsContact O-CE 3.27Å; A345-K350 WeakPolarHBondContact O-CE 3.47Å; A345-I353 HydrophobicContact CB-CD1 3.94Å |
| 346 | S | 76.4 | Confident | 83.6 | Confident | 62 Ų | 62 | 54.5 Ų | 54.5 | 43% | 0.434 | 32% | 0.317 | S | S | . | . | trans | -68.4 | 161.8 | 171.9 | 67.8 | 0 | 0 | 0 | 0 | 111.8 | N348 E349 K350 | S346-N348 VanDerWaalsContact C-N 3.31Å; S346-N348 PolarHBondContact O-N 3.28Å; S346-E349 VanDerWaalsContact CB-OE2 3.3Å; S346-E349 WeakPolarHBondContact CB-OE2 3.42Å; S346-E349 PolarHBondContact N-OE2 2.87Å; S346-E349 PolarHBondContact O-N 3.36Å; S346-E349 VanDerWaalsContact O-N 3.09Å; S346-E349 VanDerWaalsContact OG-CG 3.25Å; S346-E349 WeakPolarHBondContact OG-CG 3.44Å; S346-E349 PolarHBondContact OG-OE2 3.11Å; S346-K350 WeakPolarHBondContact O-CG 3.28Å; S346-K350 PolarHBondContact O-N 2.94Å | ||
| 347 | A | 72.3 | Confident | 83.7 | Confident | 85 Ų | 85 | 50.8 Ų | 50.8 | 70% | 0.702 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -57 | -39.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | K350 E351 | A347-K350 WeakPolarHBondContact O-CB 3.46Å; A347-K350 PolarHBondContact O-N 3.4Å; A347-E351 PolarHBondContact O-N 2.94Å |
| 348 | N | 69.9 | Low | 83.6 | Confident | 69 Ų | 69 | 50.2 Ų | 50.2 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.5 | -36.1 | 177.7 | -168 | 26.8 | 0 | 0 | 0 | 111.8 | S346 K350 R352 | S346-N348 VanDerWaalsContact C-N 3.31Å; S346-N348 PolarHBondContact O-N 3.28Å; N348-K350 VanDerWaalsContact C-N 3.35Å; N348-R352 WeakPolarHBondContact O-CG 3.46Å; N348-R352 PolarHBondContact O-N 3.03Å |
| 349 | E | 77.1 | Confident | 83.3 | Confident | 48 Ų | 48 | 50.4 Ų | 50.4 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68 | -36.2 | 174.4 | -71.3 | 168.7 | 137.8 | 0 | 0 | 111.6 | S262 A345 S346 E351 R352 I353 | S262-E349 PolarHBondContact OG-OE1 3.22Å; A345-E349 HydrophobicContact CB-CB 3.96Å; S346-E349 VanDerWaalsContact CB-OE2 3.3Å; S346-E349 WeakPolarHBondContact CB-OE2 3.42Å; S346-E349 PolarHBondContact N-OE2 2.87Å; S346-E349 PolarHBondContact O-N 3.36Å; S346-E349 VanDerWaalsContact O-N 3.09Å; S346-E349 VanDerWaalsContact OG-CG 3.25Å; S346-E349 WeakPolarHBondContact OG-CG 3.44Å; S346-E349 PolarHBondContact OG-OE2 3.11Å; E349-E351 VanDerWaalsContact C-N 3.35Å; E349-E351 PolarHBondContact O-N 3.41Å; E349-R352 PolarHBondContact O-N 3.21Å; E349-I353 VanDerWaalsContact O-CG1 3.22Å; E349-I353 WeakPolarHBondContact O-CG1 3.35Å; E349-I353 PolarHBondContact O-N 2.94Å |
| 350 | K | 83.1 | Confident | 83.2 | Confident | 67 Ų | 67 | 49.2 Ų | 49.2 | 29% | 0.291 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57 | -47.1 | 175.7 | -75.4 | -177.7 | 174.5 | 178.8 | 0 | 111.8 | Y342 A345 S346 A347 N348 R352 I353 T354 | Y342-K350 HydrophobicContact CD2-CB 4.11Å; Y342-K350 HydrophobicContact CD2-CG 3.81Å; Y342-K350 HydrophobicContact CE1-CD 4.12Å; Y342-K350 HydrophobicContact CE1-CG 4.32Å; Y342-K350 HydrophobicContact CE2-CB 3.37Å; Y342-K350 HydrophobicContact CE2-CD 4.04Å; Y342-K350 HydrophobicContact CE2-CG 3.42Å; Y342-K350 VanDerWaalsContact CE2-CG 3.42Å; Y342-K350 HydrophobicContact CG-CG 4.41Å; Y342-K350 WeakPolarHBondContact O-CE 3.32Å; A345-K350 HydrophobicContact CB-CG 4.08Å; A345-K350 VanDerWaalsContact O-CE 3.27Å; A345-K350 WeakPolarHBondContact O-CE 3.47Å; S346-K350 WeakPolarHBondContact O-CG 3.28Å; S346-K350 PolarHBondContact O-N 2.94Å; A347-K350 WeakPolarHBondContact O-CB 3.46Å; A347-K350 PolarHBondContact O-N 3.4Å; N348-K350 VanDerWaalsContact C-N 3.35Å; K350-R352 PolarHBondContact O-N 3.46Å; K350-I353 PolarHBondContact O-N 3.4Å; K350-T354 WeakPolarHBondContact O-CG2 3.39Å; K350-T354 PolarHBondContact O-N 3.01Å; K350-T354 PolarHBondContact O-OG1 2.98Å |
| 351 | E | 81.2 | Confident | 83 | Confident | 92 Ų | 92 | 45.3 Ų | 45.3 | 43% | 0.43 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 176.8 | -168 | -174.8 | 167.2 | 0 | 0 | 111.4 | K191 A347 E349 I353 T354 E355 | K191-E351 IonicContact NZ-OE1 3.71Å; K191-E351 PolarHBondContact NZ-OE1 2.81Å; K191-E351 IonicContact NZ-OE2 3.65Å; K191-E351 PolarHBondContact NZ-OE2 3.13Å; A347-E351 PolarHBondContact O-N 2.94Å; E349-E351 VanDerWaalsContact C-N 3.35Å; E349-E351 PolarHBondContact O-N 3.41Å; E351-I353 PolarHBondContact O-N 3.23Å; E351-T354 VanDerWaalsContact C-OG1 3.32Å; E351-T354 WeakPolarHBondContact CA-OG1 3.29Å; E351-T354 PolarHBondContact O-N 3.29Å; E351-T354 PolarHBondContact O-OG1 3.33Å; E351-E355 PolarHBondContact O-N 3.4Å |
| 352 | R | 83.7 | Confident | 82.6 | Confident | 57 Ų | 57 | 40.6 Ų | 40.6 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 178 | -67.5 | 176 | 66.7 | -175.1 | 2.9 | 112.8 | E223 H265 N348 E349 K350 T354 E355 L356 | E223-R352 IonicContact OE1-CZ 2.79Å; E223-R352 IonicContact OE1-NH1 3.63Å; E223-R352 PolarHBondContact OE1-NH1 3.45Å; E223-R352 IonicContact OE1-NH2 3.44Å; E223-R352 PolarHBondContact OE1-NH2 3.49Å; H265-R352 PolarHBondContact CE1-NH2 3.48Å; N348-R352 WeakPolarHBondContact O-CG 3.46Å; N348-R352 PolarHBondContact O-N 3.03Å; E349-R352 PolarHBondContact O-N 3.21Å; K350-R352 PolarHBondContact O-N 3.46Å; R352-T354 VanDerWaalsContact C-N 3.34Å; R352-E355 PolarHBondContact O-N 3.34Å; R352-L356 WeakPolarHBondContact O-CB 3.29Å; R352-L356 PolarHBondContact O-N 3.1Å; R352-L356 VanDerWaalsContact O-N 3.08Å |
| 353 | I | 88.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 175.6 | -66.2 | 167.8 | 0 | 0 | 0 | 109.8 | L338 Y342 A345 E349 K350 E351 E355 L356 V357 W379 | L338-I353 HydrophobicContact CD1-CD1 4.23Å; L338-I353 HydrophobicContact CD1-CG1 4.04Å; L338-I353 HydrophobicContact CD1-CG2 4.46Å; L338-I353 HydrophobicContact CD2-CG2 4.18Å; L338-I353 HydrophobicContact CG-CG1 4.47Å; L338-I353 HydrophobicContact CG-CG2 4.01Å; Y342-I353 HydrophobicContact CD2-CB 4.23Å; Y342-I353 HydrophobicContact CD2-CD1 4.3Å; Y342-I353 HydrophobicContact CD2-CG2 4.07Å; A345-I353 HydrophobicContact CB-CD1 3.94Å; E349-I353 VanDerWaalsContact O-CG1 3.22Å; E349-I353 WeakPolarHBondContact O-CG1 3.35Å; E349-I353 PolarHBondContact O-N 2.94Å; K350-I353 PolarHBondContact O-N 3.4Å; E351-I353 PolarHBondContact O-N 3.23Å; I353-E355 PolarHBondContact O-N 3.05Å; I353-L356 PolarHBondContact O-N 3.43Å; I353-V357 HydrophobicContact CG2-CG2 4.06Å; I353-V357 WeakPolarHBondContact O-CB 3.44Å; I353-V357 WeakPolarHBondContact O-CG2 3.4Å; I353-V357 PolarHBondContact O-N 3.28Å; I353-W379 HydrophobicContact CG2-CH2 3.74Å; I353-W379 HydrophobicContact CG2-CZ3 4.46Å |
| 354 | T | 88 | Confident | 82.1 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.4 | -42 | 179.6 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | Y342 K350 E351 R352 L356 V357 H358 W379 L380 A383 V384 | Y342-T354 HydrophobicContact CE2-CG2 3.89Å; K350-T354 WeakPolarHBondContact O-CG2 3.39Å; K350-T354 PolarHBondContact O-N 3.01Å; K350-T354 PolarHBondContact O-OG1 2.98Å; E351-T354 VanDerWaalsContact C-OG1 3.32Å; E351-T354 WeakPolarHBondContact CA-OG1 3.29Å; E351-T354 PolarHBondContact O-N 3.29Å; E351-T354 PolarHBondContact O-OG1 3.33Å; R352-T354 VanDerWaalsContact C-N 3.34Å; T354-L356 PolarHBondContact O-N 3.14Å; T354-V357 PolarHBondContact O-N 3.36Å; T354-H358 WeakPolarHBondContact O-CB 3.33Å; T354-H358 PolarHBondContact O-N 3.32Å; T354-W379 HydrophobicContact CG2-CH2 4.13Å; T354-W379 HydrophobicContact CG2-CZ3 4.31Å; T354-L380 HydrophobicContact CG2-CD2 4.06Å; T354-L380 WeakPolarHBondContact O-CD2 3.33Å; T354-A383 HydrophobicContact CG2-CB 4.37Å; T354-V384 HydrophobicContact CG2-CG2 3.51Å |
| 355 | E | 83.7 | Confident | 81.5 | Confident | 91 Ų | 91 | 31 Ų | 31 | 43% | 0.425 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 176.4 | -171.2 | -175.6 | 173.2 | 0 | 0 | 111.6 | E351 R352 I353 H358 N359 Q551 | E351-E355 PolarHBondContact O-N 3.4Å; R352-E355 PolarHBondContact O-N 3.34Å; I353-E355 PolarHBondContact O-N 3.05Å; E355-H358 WeakPolarHBondContact O-CB 3.11Å; E355-H358 PolarHBondContact O-N 3.26Å; E355-N359 PolarHBondContact O-N 3.23Å; E355-N359 VanDerWaalsContact O-N 3.08Å; E355-N359 PolarHBondContact O-ND2 3.42Å; E355-Q551 PolarHBondContact OE1-NE2 2.98Å |
| 356 | L | 87.7 | Confident | 80.8 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 179.5 | -179.3 | 59.4 | 0 | 0 | 0 | 112.3 | H265 C268 K269 L272 L338 R352 I353 T354 H358 N359 V360 | H265-L356 WeakPolarHBondContact O-CD2 3.42Å; C268-L356 HydrophobicContact CB-CD2 3.52Å; C268-L356 HydrophobicContact CB-CG 4.39Å; K269-L356 HydrophobicContact CB-CD1 4.1Å; K269-L356 HydrophobicContact CB-CD2 4.04Å; K269-L356 HydrophobicContact CG-CD1 4.37Å; L272-L356 HydrophobicContact CD2-CD1 4Å; L338-L356 HydrophobicContact CD2-CD2 3.98Å; R352-L356 WeakPolarHBondContact O-CB 3.29Å; R352-L356 PolarHBondContact O-N 3.1Å; R352-L356 VanDerWaalsContact O-N 3.08Å; I353-L356 PolarHBondContact O-N 3.43Å; T354-L356 PolarHBondContact O-N 3.14Å; L356-H358 PolarHBondContact O-N 3.48Å; L356-N359 PolarHBondContact O-N 2.95Å; L356-V360 HydrophobicContact CD1-CG2 4.34Å; L356-V360 VanDerWaalsContact O-CG2 3.32Å; L356-V360 WeakPolarHBondContact O-CG2 3.41Å; L356-V360 PolarHBondContact O-N 3.24Å |
| 357 | V | 91 | Very high | 80.5 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.2 | -35.7 | 178.5 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | C334 I339 I353 T354 V360 A361 M376 W379 L380 | C334-V357 VanDerWaalsContact SG-CG2 3.58Å; I339-V357 HydrophobicContact CD1-CG1 4.16Å; I339-V357 HydrophobicContact CD1-CG2 4.46Å; I339-V357 HydrophobicContact CG1-CG2 4.12Å; I353-V357 HydrophobicContact CG2-CG2 4.06Å; I353-V357 WeakPolarHBondContact O-CB 3.44Å; I353-V357 WeakPolarHBondContact O-CG2 3.4Å; I353-V357 PolarHBondContact O-N 3.28Å; T354-V357 PolarHBondContact O-N 3.36Å; V357-V360 PolarHBondContact O-N 3.28Å; V357-A361 WeakPolarHBondContact O-CB 3.49Å; V357-A361 PolarHBondContact O-N 2.75Å; V357-M376 HydrophobicContact CG1-CB 3.8Å; V357-M376 HydrophobicContact CG1-CG 4.08Å; V357-M376 HydrophobicContact CG1-SD 4.35Å; V357-W379 HydrophobicContact CB-CE3 4.28Å; V357-W379 HydrophobicContact CB-CZ3 3.83Å; V357-W379 HydrophobicContact CG1-CE3 3.75Å; V357-W379 HydrophobicContact CG1-CZ3 3.84Å; V357-W379 HydrophobicContact CG2-CE3 4.23Å; V357-W379 HydrophobicContact CG2-CH2 4.27Å; V357-W379 HydrophobicContact CG2-CZ3 3.63Å; V357-L380 HydrophobicContact CB-CD1 4.34Å; V357-L380 HydrophobicContact CB-CD2 4.03Å; V357-L380 HydrophobicContact CB-CG 4.19Å; V357-L380 HydrophobicContact CG1-CD1 3.86Å; V357-L380 HydrophobicContact CG1-CD2 4.16Å; V357-L380 HydrophobicContact CG1-CG 3.75Å |
| 358 | H | 86.5 | Confident | 80.4 | Confident | 33 Ų | 33 | 25.8 Ų | 25.8 | 15% | 0.153 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -45.9 | 177.3 | -175.9 | -159.5 | 0 | 0 | 0 | 111.5 | T354 E355 L356 V360 A361 A362 L380 Q392 E544 | T354-H358 WeakPolarHBondContact O-CB 3.33Å; T354-H358 PolarHBondContact O-N 3.32Å; E355-H358 WeakPolarHBondContact O-CB 3.11Å; E355-H358 PolarHBondContact O-N 3.26Å; L356-H358 PolarHBondContact O-N 3.48Å; H358-V360 VanDerWaalsContact C-N 3.35Å; H358-V360 PolarHBondContact O-N 2.92Å; H358-A361 WeakPolarHBondContact O-CB 3.37Å; H358-A361 PolarHBondContact O-N 3.38Å; H358-A362 PolarHBondContact O-N 3.47Å; H358-L380 HydrophobicContact CB-CD1 3.76Å; H358-L380 HydrophobicContact CB-CD2 4.5Å; H358-Q392 PolarHBondContact CE1-NE2 3.05Å; H358-Q392 VanDerWaalsContact NE2-CD 3.33Å; H358-Q392 PolarHBondContact NE2-NE2 3.17Å; H358-Q392 PolarHBondContact NE2-OE1 3.02Å; H358-Q392 VanDerWaalsContact NE2-OE1 3.13Å; H358-E544 IonicContact CE1-OE2 3.6Å; H358-E544 PolarHBondContact CE1-OE2 2.95Å; H358-E544 VanDerWaalsContact CE1-OE2 3.28Å; H358-E544 IonicContact NE2-OE2 3.78Å |
| 359 | N | 84.1 | Confident | 80.7 | Confident | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 174.5 | -70.2 | -38.6 | 0 | 0 | 0 | 112.5 | L272 E355 L356 A361 A362 V363 A548 Q551 | L272-N359 HydrophobicContact CD2-CB 3.94Å; E355-N359 PolarHBondContact O-N 3.23Å; E355-N359 VanDerWaalsContact O-N 3.08Å; E355-N359 PolarHBondContact O-ND2 3.42Å; L356-N359 PolarHBondContact O-N 2.95Å; N359-A361 VanDerWaalsContact C-N 3.31Å; N359-A361 PolarHBondContact O-N 3.13Å; N359-A362 PolarHBondContact O-N 3.28Å; N359-V363 WeakPolarHBondContact O-CG2 3.45Å; N359-V363 PolarHBondContact O-N 3.04Å; N359-A548 HydrophobicContact CB-CB 4.47Å; N359-Q551 PolarHBondContact ND2-OE1 3.01Å |
| 360 | V | 89.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.6 | -40.2 | 176.9 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | L272 T330 I331 C334 L356 V357 H358 S364 M376 | L272-V360 HydrophobicContact CD2-CG2 4.07Å; T330-V360 HydrophobicContact CG2-CG2 4.35Å; I331-V360 HydrophobicContact CG1-CG1 4.12Å; C334-V360 HydrophobicContact CB-CG1 4.44Å; L356-V360 HydrophobicContact CD1-CG2 4.34Å; L356-V360 VanDerWaalsContact O-CG2 3.32Å; L356-V360 WeakPolarHBondContact O-CG2 3.41Å; L356-V360 PolarHBondContact O-N 3.24Å; V357-V360 PolarHBondContact O-N 3.28Å; H358-V360 VanDerWaalsContact C-N 3.35Å; H358-V360 PolarHBondContact O-N 2.92Å; V360-S364 WeakPolarHBondContact O-CB 3.31Å; V360-S364 PolarHBondContact O-N 3.19Å; V360-S364 PolarHBondContact O-OG 2.62Å; V360-M376 HydrophobicContact CB-SD 4.27Å; V360-M376 HydrophobicContact CG1-CE 3.97Å; V360-M376 HydrophobicContact CG1-SD 3.78Å |
| 361 | A | 85.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V357 H358 N359 S364 L365 A373 M376 L377 | V357-A361 WeakPolarHBondContact O-CB 3.49Å; V357-A361 PolarHBondContact O-N 2.75Å; H358-A361 WeakPolarHBondContact O-CB 3.37Å; H358-A361 PolarHBondContact O-N 3.38Å; N359-A361 VanDerWaalsContact C-N 3.31Å; N359-A361 PolarHBondContact O-N 3.13Å; A361-S364 WeakPolarHBondContact O-CB 3.18Å; A361-S364 PolarHBondContact O-N 3.48Å; A361-L365 WeakPolarHBondContact O-CG 3.4Å; A361-L365 PolarHBondContact O-N 2.87Å; A361-A373 HydrophobicContact CB-CB 4.49Å; A361-A373 WeakPolarHBondContact O-CB 3.49Å; A361-M376 HydrophobicContact CB-CB 4.01Å; A361-M376 HydrophobicContact CB-CE 4.15Å; A361-L377 HydrophobicContact CB-CD2 4.18Å; A361-L377 HydrophobicContact CB-CG 3.97Å |
| 362 | A | 75.5 | Confident | 80.1 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.5 | -47.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H358 N359 S364 L365 L366 L541 E544 | H358-A362 PolarHBondContact O-N 3.47Å; N359-A362 PolarHBondContact O-N 3.28Å; A362-S364 VanDerWaalsContact C-N 3.31Å; A362-S364 PolarHBondContact O-N 3.37Å; A362-L365 PolarHBondContact O-N 3.45Å; A362-L366 PolarHBondContact O-N 3.23Å; A362-L366 VanDerWaalsContact O-N 3.15Å; A362-L541 WeakPolarHBondContact O-CD1 3.44Å; A362-E544 HydrophobicContact CB-CB 3.62Å |
| 363 | V | 78.2 | Confident | 80 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 175.8 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | L272 F275 L327 N359 L365 L366 Y367 A548 | L272-V363 HydrophobicContact CD1-CB 4.49Å; L272-V363 HydrophobicContact CD1-CG2 4.23Å; F275-V363 HydrophobicContact CD1-CG1 4.09Å; F275-V363 HydrophobicContact CE1-CG1 3.51Å; F275-V363 HydrophobicContact CZ-CG1 4.17Å; L327-V363 HydrophobicContact CD1-CG1 3.82Å; L327-V363 HydrophobicContact CD2-CG1 4.45Å; N359-V363 WeakPolarHBondContact O-CG2 3.45Å; N359-V363 PolarHBondContact O-N 3.04Å; V363-L365 PolarHBondContact O-N 3.26Å; V363-L366 PolarHBondContact O-N 3.23Å; V363-Y367 HydrophobicContact CG1-CD2 3.84Å; V363-Y367 HydrophobicContact CG1-CE2 4.05Å; V363-Y367 VanDerWaalsContact O-CD2 3.31Å; V363-Y367 WeakPolarHBondContact O-CD2 3.47Å; V363-Y367 PolarHBondContact O-N 3.11Å; V363-A548 HydrophobicContact CG2-CB 4.01Å |
| 364 | S | 81.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 178 | -63 | 0 | 0 | 0 | 0 | 112.4 | I331 V360 A361 A362 Y367 G368 N369 | I331-S364 WeakPolarHBondContact CD1-OG 3.18Å; I331-S364 VanDerWaalsContact CG1-OG 3.24Å; I331-S364 WeakPolarHBondContact CG1-OG 3.38Å; V360-S364 WeakPolarHBondContact O-CB 3.31Å; V360-S364 PolarHBondContact O-N 3.19Å; V360-S364 PolarHBondContact O-OG 2.62Å; A361-S364 WeakPolarHBondContact O-CB 3.18Å; A361-S364 PolarHBondContact O-N 3.48Å; A362-S364 VanDerWaalsContact C-N 3.31Å; A362-S364 PolarHBondContact O-N 3.37Å; S364-Y367 PolarHBondContact O-N 3.18Å; S364-G368 PolarHBondContact O-N 2.93Å; S364-N369 WeakPolarHBondContact O-CA 3.4Å; S364-N369 PolarHBondContact O-N 3.4Å |
| 365 | L | 68.3 | Low | 79.2 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 173.6 | -77.4 | 170.6 | 0 | 0 | 0 | 111.7 | A361 A362 V363 Y367 G368 F370 A373 L377 A396 W540 L541 | A361-L365 WeakPolarHBondContact O-CG 3.4Å; A361-L365 PolarHBondContact O-N 2.87Å; A362-L365 PolarHBondContact O-N 3.45Å; V363-L365 PolarHBondContact O-N 3.26Å; L365-Y367 VanDerWaalsContact C-N 3.31Å; L365-Y367 PolarHBondContact O-N 3.34Å; L365-G368 PolarHBondContact O-N 3.27Å; L365-F370 HydrophobicContact CD2-CD1 3.85Å; L365-F370 WeakPolarHBondContact O-CE1 3.44Å; L365-A373 HydrophobicContact CB-CB 4.43Å; L365-A373 HydrophobicContact CD1-CB 4.43Å; L365-A373 HydrophobicContact CD2-CB 3.69Å; L365-A373 HydrophobicContact CG-CB 3.5Å; L365-A373 VanDerWaalsContact CG-CB 3.5Å; L365-L377 HydrophobicContact CD1-CD1 4.12Å; L365-A396 HydrophobicContact CD1-CB 4.05Å; L365-A396 HydrophobicContact CD2-CB 4.08Å; L365-W540 HydrophobicContact CD1-CH2 3.67Å; L365-W540 HydrophobicContact CD1-CZ3 3.62Å; L365-L541 HydrophobicContact CB-CD1 3.38Å; L365-L541 HydrophobicContact CD1-CD1 3.97Å; L365-L541 HydrophobicContact CG-CD1 4.31Å |
| 366 | L | 66 | Low | 79.4 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.8 | -37.1 | -177.8 | -170.5 | 75.7 | 0 | 0 | 0 | 113.5 | A362 V363 L541 V545 Y561 | A362-L366 PolarHBondContact O-N 3.23Å; A362-L366 VanDerWaalsContact O-N 3.15Å; V363-L366 PolarHBondContact O-N 3.23Å; L366-L541 HydrophobicContact CB-CD2 4.25Å; L366-L541 HydrophobicContact CB-CG 4.45Å; L366-L541 HydrophobicContact CD1-CD2 3.74Å; L366-L541 HydrophobicContact CD1-CG 4.09Å; L366-V545 HydrophobicContact CB-CG2 4Å; L366-V545 HydrophobicContact CD1-CG2 4.22Å; L366-V545 HydrophobicContact CD2-CB 4.36Å; L366-V545 HydrophobicContact CD2-CG1 3.66Å; L366-V545 HydrophobicContact CD2-CG2 3.8Å; L366-V545 HydrophobicContact CG-CG2 4.22Å; L366-Y561 HydrophobicContact CD1-CE1 4.1Å; L366-Y561 HydrophobicContact CD2-CE1 3.93Å |
| 367 | Y | 70.4 | Confident | 79.1 | Confident | 21 Ų | 21 | 19.4 Ų | 19.4 | 8% | 0.082 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 14.4 | -178.3 | -67.1 | -75.4 | 0 | 0 | 0 | 113.6 | F275 L279 F320 M324 L327 V363 S364 L365 Y549 | F275-Y367 HydrophobicContact CE1-CD2 4.19Å; F275-Y367 AromaticContact CE1-CE2 3.78Å; F275-Y367 HydrophobicContact CE1-CE2 3.78Å; F275-Y367 AromaticContact CZ-CD2 3.73Å; F275-Y367 HydrophobicContact CZ-CD2 3.73Å; F275-Y367 AromaticContact CZ-CE2 3.54Å; F275-Y367 HydrophobicContact CZ-CE2 3.54Å; F275-Y367 HydrophobicContact CZ-CG 4.36Å; L279-Y367 WeakPolarHBondContact CD2-OH 3.49Å; F320-Y367 HydrophobicContact CE1-CE1 4.17Å; M324-Y367 HydrophobicContact SD-CD1 4.3Å; M324-Y367 HydrophobicContact SD-CG 4.46Å; L327-Y367 HydrophobicContact CD2-CD2 4.09Å; L327-Y367 HydrophobicContact CD2-CG 4.13Å; V363-Y367 HydrophobicContact CG1-CD2 3.84Å; V363-Y367 HydrophobicContact CG1-CE2 4.05Å; V363-Y367 VanDerWaalsContact O-CD2 3.31Å; V363-Y367 WeakPolarHBondContact O-CD2 3.47Å; V363-Y367 PolarHBondContact O-N 3.11Å; S364-Y367 PolarHBondContact O-N 3.18Å; L365-Y367 VanDerWaalsContact C-N 3.31Å; L365-Y367 PolarHBondContact O-N 3.34Å; Y367-Y549 PolarHBondContact OH-OH 3.23Å; Y367-Y549 VanDerWaalsContact OH-OH 3.12Å |
| 368 | G | 69 | Low | 78.5 | Confident | 26 Ų | 26 | 23.3 Ų | 23.3 | 27% | 0.268 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 13.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | S364 L365 F370 | S364-G368 PolarHBondContact O-N 2.93Å; L365-G368 PolarHBondContact O-N 3.27Å; G368-F370 WeakPolarHBondContact O-CD2 3.45Å; G368-F370 PolarHBondContact O-N 3.43Å |
| 369 | N | 76.8 | Confident | 78.5 | Confident | 16 Ų | 16 | 23.6 Ų | 23.6 | 9% | 0.086 | 12% | 0.124 | C | C | . | . | trans | -88.7 | 57.4 | 174.3 | -60.2 | -75 | 0 | 0 | 0 | 110.6 | I331 S364 T371 Q372 A373 | I331-N369 HydrophobicContact CD1-CB 3.8Å; S364-N369 WeakPolarHBondContact O-CA 3.4Å; S364-N369 PolarHBondContact O-N 3.4Å; N369-T371 PolarHBondContact O-N 3.33Å; N369-Q372 PolarHBondContact O-N 3.19Å; N369-Q372 PolarHBondContact O-OE1 3.18Å; N369-A373 WeakPolarHBondContact O-CB 3.5Å; N369-A373 PolarHBondContact O-N 3.37Å | ||
| 370 | F | 70.7 | Confident | 78.4 | Confident | 34 Ų | 34 | 23.6 Ų | 23.6 | 15% | 0.149 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | -168.6 | -58.5 | -68.3 | 0 | 0 | 0 | 113.6 | L365 G368 Q372 A373 I374 V399 A400 | L365-F370 HydrophobicContact CD2-CD1 3.85Å; L365-F370 WeakPolarHBondContact O-CE1 3.44Å; G368-F370 WeakPolarHBondContact O-CD2 3.45Å; G368-F370 PolarHBondContact O-N 3.43Å; F370-Q372 VanDerWaalsContact C-N 3.35Å; F370-Q372 PolarHBondContact O-N 3.46Å; F370-A373 PolarHBondContact O-N 2.92Å; F370-I374 WeakPolarHBondContact O-CG1 3.5Å; F370-I374 PolarHBondContact O-N 3.48Å; F370-V399 HydrophobicContact CD1-CG1 3.7Å; F370-V399 HydrophobicContact CE1-CG1 3.36Å; F370-V399 HydrophobicContact CZ-CG1 4.24Å; F370-A400 HydrophobicContact CB-CB 4Å |
| 371 | T | 76.1 | Confident | 77.7 | Confident | 95 Ų | 95 | 23.9 Ų | 23.9 | 58% | 0.583 | 13% | 0.126 | S | C | * | . | H | α-helix | trans | -60.1 | -46 | -178.3 | -51.2 | 0 | 0 | 0 | 0 | 111.2 | N369 I374 N375 | N369-T371 PolarHBondContact O-N 3.33Å; T371-I374 PolarHBondContact O-N 3.27Å; T371-N375 VanDerWaalsContact O-CG 3.26Å; T371-N375 PolarHBondContact O-N 3.43Å; T371-N375 VanDerWaalsContact O-N 3.08Å; T371-N375 PolarHBondContact O-ND2 3.08Å |
| 372 | Q | 82.4 | Confident | 77.2 | Confident | 68 Ų | 68 | 26.4 Ų | 26.4 | 32% | 0.318 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 179.6 | -62.4 | 83.9 | -4.6 | 0 | 0 | 111.3 | I331 Q335 N369 F370 N375 M376 | I331-Q372 HydrophobicContact CG2-CB 3.54Å; I331-Q372 HydrophobicContact CG2-CG 3.77Å; Q335-Q372 PolarHBondContact NE2-O 3.07Å; N369-Q372 PolarHBondContact O-N 3.19Å; N369-Q372 PolarHBondContact O-OE1 3.18Å; F370-Q372 VanDerWaalsContact C-N 3.35Å; F370-Q372 PolarHBondContact O-N 3.46Å; Q372-N375 PolarHBondContact O-N 2.84Å; Q372-M376 WeakPolarHBondContact O-CE 3.01Å; Q372-M376 WeakPolarHBondContact O-CG 3.31Å; Q372-M376 PolarHBondContact O-N 3.24Å |
| 373 | A | 80.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A361 L365 N369 F370 N375 M376 L377 | A361-A373 HydrophobicContact CB-CB 4.49Å; A361-A373 WeakPolarHBondContact O-CB 3.49Å; L365-A373 HydrophobicContact CB-CB 4.43Å; L365-A373 HydrophobicContact CD1-CB 4.43Å; L365-A373 HydrophobicContact CD2-CB 3.69Å; L365-A373 HydrophobicContact CG-CB 3.5Å; L365-A373 VanDerWaalsContact CG-CB 3.5Å; N369-A373 WeakPolarHBondContact O-CB 3.5Å; N369-A373 PolarHBondContact O-N 3.37Å; F370-A373 PolarHBondContact O-N 2.92Å; A373-N375 VanDerWaalsContact C-N 3.33Å; A373-N375 PolarHBondContact O-N 3.48Å; A373-M376 PolarHBondContact O-N 3.35Å; A373-L377 WeakPolarHBondContact O-CG 3.12Å; A373-L377 PolarHBondContact O-N 2.9Å |
| 374 | I | 77.3 | Confident | 77.2 | Confident | 14 Ų | 14 | 30.5 Ų | 30.5 | 7% | 0.072 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 174.1 | -73.6 | 169.8 | 0 | 0 | 0 | 110.7 | F370 T371 M376 L377 F378 L393 A396 F397 A400 | F370-I374 WeakPolarHBondContact O-CG1 3.5Å; F370-I374 PolarHBondContact O-N 3.48Å; T371-I374 PolarHBondContact O-N 3.27Å; I374-M376 VanDerWaalsContact C-N 3.31Å; I374-M376 PolarHBondContact O-N 3.01Å; I374-L377 PolarHBondContact O-N 3.29Å; I374-F378 WeakPolarHBondContact O-CB 3.49Å; I374-F378 PolarHBondContact O-N 2.88Å; I374-L393 HydrophobicContact CG2-CD1 4.17Å; I374-A396 HydrophobicContact CG1-CB 3.82Å; I374-F397 HydrophobicContact CD1-CD1 4.04Å; I374-F397 HydrophobicContact CG1-CD1 4.49Å; I374-F397 HydrophobicContact CG2-CD1 3.85Å; I374-F397 HydrophobicContact CG2-CE1 3.36Å; I374-F397 HydrophobicContact CG2-CZ 3.89Å; I374-A400 HydrophobicContact CD1-CB 3.3Å |
| 375 | N | 82.1 | Confident | 76.6 | Confident | 91 Ų | 91 | 35.5 Ų | 35.5 | 49% | 0.487 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 177.5 | -70.8 | -13.3 | 0 | 0 | 0 | 112.1 | T371 Q372 A373 F378 W379 | T371-N375 VanDerWaalsContact O-CG 3.26Å; T371-N375 PolarHBondContact O-N 3.43Å; T371-N375 VanDerWaalsContact O-N 3.08Å; T371-N375 PolarHBondContact O-ND2 3.08Å; Q372-N375 PolarHBondContact O-N 2.84Å; A373-N375 VanDerWaalsContact C-N 3.33Å; A373-N375 PolarHBondContact O-N 3.48Å; N375-F378 PolarHBondContact O-N 2.84Å; N375-W379 PolarHBondContact O-N 3.3Å |
| 376 | M | 88.4 | Confident | 76.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.5 | -43.4 | 175.7 | -74.4 | -176.7 | -69 | 0 | 0 | 112.3 | I331 C334 Q335 I339 V357 V360 A361 Q372 A373 I374 F378 W379 L380 | I331-M376 HydrophobicContact CG2-CE 4.34Å; C334-M376 HydrophobicContact CB-SD 4.48Å; Q335-M376 HydrophobicContact CG-CG 3.8Å; Q335-M376 HydrophobicContact CG-SD 4.16Å; I339-M376 HydrophobicContact CD1-CG 4.27Å; V357-M376 HydrophobicContact CG1-CB 3.8Å; V357-M376 HydrophobicContact CG1-CG 4.08Å; V357-M376 HydrophobicContact CG1-SD 4.35Å; V360-M376 HydrophobicContact CB-SD 4.27Å; V360-M376 HydrophobicContact CG1-CE 3.97Å; V360-M376 HydrophobicContact CG1-SD 3.78Å; A361-M376 HydrophobicContact CB-CB 4.01Å; A361-M376 HydrophobicContact CB-CE 4.15Å; Q372-M376 WeakPolarHBondContact O-CE 3.01Å; Q372-M376 WeakPolarHBondContact O-CG 3.31Å; Q372-M376 PolarHBondContact O-N 3.24Å; A373-M376 PolarHBondContact O-N 3.35Å; I374-M376 VanDerWaalsContact C-N 3.31Å; I374-M376 PolarHBondContact O-N 3.01Å; M376-F378 VanDerWaalsContact C-N 3.3Å; M376-F378 PolarHBondContact O-N 3.28Å; M376-W379 PolarHBondContact O-N 3.37Å; M376-L380 WeakPolarHBondContact O-CB 3.37Å; M376-L380 WeakPolarHBondContact O-CG 3.29Å; M376-L380 PolarHBondContact O-N 3.46Å |
| 377 | L | 81.1 | Confident | 76.5 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.1 | -36.3 | 175.8 | -72.8 | 168.8 | 0 | 0 | 0 | 111.9 | A361 L365 A373 I374 L380 F381 Q392 L393 A396 W540 | A361-L377 HydrophobicContact CB-CD2 4.18Å; A361-L377 HydrophobicContact CB-CG 3.97Å; L365-L377 HydrophobicContact CD1-CD1 4.12Å; A373-L377 WeakPolarHBondContact O-CG 3.12Å; A373-L377 PolarHBondContact O-N 2.9Å; I374-L377 PolarHBondContact O-N 3.29Å; L377-L380 HydrophobicContact CD2-CD1 4.12Å; L377-L380 PolarHBondContact O-N 3.26Å; L377-F381 VanDerWaalsContact O-CB 3.31Å; L377-F381 WeakPolarHBondContact O-CB 3.44Å; L377-F381 PolarHBondContact O-N 2.94Å; L377-Q392 HydrophobicContact CD2-CB 4.13Å; L377-L393 HydrophobicContact CB-CB 4.23Å; L377-L393 HydrophobicContact CB-CD1 3.7Å; L377-A396 HydrophobicContact CD1-CB 3.47Å; L377-A396 VanDerWaalsContact CD1-CB 3.47Å; L377-W540 HydrophobicContact CD1-CH2 4.31Å |
| 378 | F | 80.1 | Confident | 76.2 | Confident | 83 Ų | 83 | 42.4 Ų | 42.4 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.9 | -45.9 | 173.7 | -174.8 | -78.3 | 0 | 0 | 0 | 111.2 | I374 N375 M376 F381 T382 L393 F409 | I374-F378 WeakPolarHBondContact O-CB 3.49Å; I374-F378 PolarHBondContact O-N 2.88Å; N375-F378 PolarHBondContact O-N 2.84Å; M376-F378 VanDerWaalsContact C-N 3.3Å; M376-F378 PolarHBondContact O-N 3.28Å; F378-F381 WeakPolarHBondContact O-CB 3.45Å; F378-F381 PolarHBondContact O-N 2.69Å; F378-T382 HydrophobicContact CD1-CG2 4.27Å; F378-T382 HydrophobicContact CE1-CG2 3.99Å; F378-T382 PolarHBondContact O-N 3.1Å; F378-T382 PolarHBondContact O-OG1 3.36Å; F378-L393 HydrophobicContact CB-CD1 4.19Å; F378-L393 HydrophobicContact CB-CD2 4.35Å; F378-L393 HydrophobicContact CD2-CD2 4.29Å; F378-F409 AromaticContact CD2-CD2 3.94Å; F378-F409 HydrophobicContact CD2-CD2 3.94Å; F378-F409 AromaticContact CD2-CE2 3.4Å; F378-F409 HydrophobicContact CD2-CE2 3.4Å; F378-F409 VanDerWaalsContact CD2-CE2 3.4Å; F378-F409 AromaticContact CD2-CZ 4Å; F378-F409 HydrophobicContact CD2-CZ 4Å; F378-F409 AromaticContact CE2-CD2 3.32Å; F378-F409 HydrophobicContact CE2-CD2 3.32Å; F378-F409 AromaticContact CE2-CE2 3.02Å; F378-F409 HydrophobicContact CE2-CE2 3.02Å; F378-F409 HydrophobicContact CE2-CZ 4.05Å; F378-F409 HydrophobicContact CZ-CD2 4.26Å; F378-F409 AromaticContact CZ-CE2 3.88Å; F378-F409 HydrophobicContact CZ-CE2 3.88Å |
| 379 | W | 84.9 | Confident | 76.3 | Confident | 39 Ų | 39 | 41.8 Ų | 41.8 | 15% | 0.148 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -46.9 | 175.6 | 173 | 80.9 | 0 | 0 | 0 | 111.8 | I339 Y342 I353 T354 V357 N375 M376 F381 T382 A383 | I339-W379 HydrophobicContact CB-CD2 4.41Å; I339-W379 HydrophobicContact CD1-CB 4.26Å; I339-W379 HydrophobicContact CD1-CD2 3.78Å; I339-W379 HydrophobicContact CD1-CE3 3.85Å; I339-W379 HydrophobicContact CD1-CG 3.95Å; I339-W379 HydrophobicContact CG1-CD2 3.76Å; I339-W379 HydrophobicContact CG1-CE3 3.9Å; I339-W379 HydrophobicContact CG1-CG 4.28Å; I339-W379 HydrophobicContact CG1-CH2 4.41Å; I339-W379 HydrophobicContact CG1-CZ2 4.26Å; I339-W379 HydrophobicContact CG1-CZ3 4.23Å; I339-W379 VanDerWaalsContact CG2-CD1 3.48Å; I339-W379 HydrophobicContact CG2-CD2 3.95Å; I339-W379 HydrophobicContact CG2-CG 3.8Å; I339-W379 HydrophobicContact CG2-CZ2 4.48Å; Y342-W379 AromaticContact CD1-CZ2 3.9Å; Y342-W379 HydrophobicContact CD1-CZ2 3.9Å; Y342-W379 AromaticContact CD2-CH2 3.73Å; Y342-W379 HydrophobicContact CD2-CH2 3.73Å; Y342-W379 AromaticContact CD2-CZ2 3.62Å; Y342-W379 HydrophobicContact CD2-CZ2 3.62Å; Y342-W379 HydrophobicContact CE1-CZ2 4.45Å; Y342-W379 HydrophobicContact CE2-CH2 4.1Å; Y342-W379 HydrophobicContact CE2-CZ2 4.19Å; Y342-W379 HydrophobicContact CG-CH2 4.07Å; Y342-W379 AromaticContact CG-CZ2 3.46Å; Y342-W379 HydrophobicContact CG-CZ2 3.46Å; Y342-W379 VanDerWaalsContact CG-CZ2 3.46Å; I353-W379 HydrophobicContact CG2-CH2 3.74Å; I353-W379 HydrophobicContact CG2-CZ3 4.46Å; T354-W379 HydrophobicContact CG2-CH2 4.13Å; T354-W379 HydrophobicContact CG2-CZ3 4.31Å; V357-W379 HydrophobicContact CB-CE3 4.28Å; V357-W379 HydrophobicContact CB-CZ3 3.83Å; V357-W379 HydrophobicContact CG1-CE3 3.75Å; V357-W379 HydrophobicContact CG1-CZ3 3.84Å; V357-W379 HydrophobicContact CG2-CE3 4.23Å; V357-W379 HydrophobicContact CG2-CH2 4.27Å; V357-W379 HydrophobicContact CG2-CZ3 3.63Å; N375-W379 PolarHBondContact O-N 3.3Å; M376-W379 PolarHBondContact O-N 3.37Å; W379-F381 PolarHBondContact O-N 3.09Å; W379-T382 WeakPolarHBondContact CA-OG1 3.46Å; W379-T382 CarbonylContact O-C 3.59Å; W379-T382 PolarHBondContact O-N 3.3Å; W379-T382 PolarHBondContact O-OG1 3.14Å; W379-A383 HydrophobicContact CD2-CB 4.49Å; W379-A383 HydrophobicContact CH2-CB 4.16Å; W379-A383 HydrophobicContact CZ2-CB 3.99Å; W379-A383 HydrophobicContact CZ3-CB 4.49Å; W379-A383 WeakPolarHBondContact O-CB 3.13Å; W379-A383 PolarHBondContact O-N 3.25Å |
| 380 | L | 83 | Confident | 75.8 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54 | -43.7 | 176 | -82.8 | 164.7 | 0 | 0 | 0 | 111 | T354 V357 H358 M376 L377 A383 V384 V389 | T354-L380 HydrophobicContact CG2-CD2 4.06Å; T354-L380 WeakPolarHBondContact O-CD2 3.33Å; V357-L380 HydrophobicContact CB-CD1 4.34Å; V357-L380 HydrophobicContact CB-CD2 4.03Å; V357-L380 HydrophobicContact CB-CG 4.19Å; V357-L380 HydrophobicContact CG1-CD1 3.86Å; V357-L380 HydrophobicContact CG1-CD2 4.16Å; V357-L380 HydrophobicContact CG1-CG 3.75Å; H358-L380 HydrophobicContact CB-CD1 3.76Å; H358-L380 HydrophobicContact CB-CD2 4.5Å; M376-L380 WeakPolarHBondContact O-CB 3.37Å; M376-L380 WeakPolarHBondContact O-CG 3.29Å; M376-L380 PolarHBondContact O-N 3.46Å; L377-L380 HydrophobicContact CD2-CD1 4.12Å; L377-L380 PolarHBondContact O-N 3.26Å; L380-A383 PolarHBondContact O-N 3.33Å; L380-A383 VanDerWaalsContact O-N 3.14Å; L380-V384 WeakPolarHBondContact O-CB 2.9Å; L380-V384 WeakPolarHBondContact O-CG2 3.44Å; L380-V384 PolarHBondContact O-N 3.47Å; L380-V389 HydrophobicContact CB-CG1 3.66Å |
| 381 | F | 74.2 | Confident | 75.4 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 177.4 | 175.3 | -89.8 | 0 | 0 | 0 | 110.7 | L377 F378 W379 A383 E385 V389 L393 F413 V417 | L377-F381 VanDerWaalsContact O-CB 3.31Å; L377-F381 WeakPolarHBondContact O-CB 3.44Å; L377-F381 PolarHBondContact O-N 2.94Å; F378-F381 WeakPolarHBondContact O-CB 3.45Å; F378-F381 PolarHBondContact O-N 2.69Å; W379-F381 PolarHBondContact O-N 3.09Å; F381-A383 PolarHBondContact O-N 3.43Å; F381-E385 VanDerWaalsContact O-CA 3.23Å; F381-E385 WeakPolarHBondContact O-CA 3.37Å; F381-E385 PolarHBondContact O-N 2.8Å; F381-V389 HydrophobicContact CB-CG1 3.83Å; F381-L393 HydrophobicContact CB-CD2 4.37Å; F381-F413 AromaticContact CD1-CD2 3.76Å; F381-F413 HydrophobicContact CD1-CD2 3.76Å; F381-F413 AromaticContact CD1-CE2 3.19Å; F381-F413 HydrophobicContact CD1-CE2 3.19Å; F381-F413 HydrophobicContact CD1-CZ 4.08Å; F381-F413 AromaticContact CD2-CE2 3.62Å; F381-F413 HydrophobicContact CD2-CE2 3.62Å; F381-F413 AromaticContact CD2-CZ 3.82Å; F381-F413 HydrophobicContact CD2-CZ 3.82Å; F381-F413 AromaticContact CE1-CD2 3.38Å; F381-F413 HydrophobicContact CE1-CD2 3.38Å; F381-F413 HydrophobicContact CE1-CE1 4.44Å; F381-F413 AromaticContact CE1-CE2 2.86Å; F381-F413 HydrophobicContact CE1-CE2 2.86Å; F381-F413 HydrophobicContact CE1-CG 4.39Å; F381-F413 AromaticContact CE1-CZ 3.47Å; F381-F413 HydrophobicContact CE1-CZ 3.47Å; F381-F413 VanDerWaalsContact CE1-CZ 3.47Å; F381-F413 HydrophobicContact CE2-CE1 4.3Å; F381-F413 AromaticContact CE2-CE2 3.33Å; F381-F413 HydrophobicContact CE2-CE2 3.33Å; F381-F413 AromaticContact CE2-CZ 3.14Å; F381-F413 HydrophobicContact CE2-CZ 3.14Å; F381-F413 AromaticContact CG-CE2 3.59Å; F381-F413 HydrophobicContact CG-CE2 3.59Å; F381-F413 HydrophobicContact CG-CZ 4.26Å; F381-F413 AromaticContact CZ-CD2 3.85Å; F381-F413 HydrophobicContact CZ-CD2 3.85Å; F381-F413 AromaticContact CZ-CE1 3.94Å; F381-F413 HydrophobicContact CZ-CE1 3.94Å; F381-F413 AromaticContact CZ-CE2 2.97Å; F381-F413 HydrophobicContact CZ-CE2 2.97Å; F381-F413 AromaticContact CZ-CZ 2.98Å; F381-F413 HydrophobicContact CZ-CZ 2.98Å; F381-V417 HydrophobicContact CE1-CG2 4.15Å; F381-V417 HydrophobicContact CE2-CG2 4.37Å; F381-V417 HydrophobicContact CZ-CG2 3.44Å; F381-V417 VanDerWaalsContact CZ-CG2 3.44Å |
| 382 | T | 75.5 | Confident | 75 | Confident | 53 Ų | 53 | 39.5 Ų | 39.5 | 33% | 0.325 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.8 | -18.9 | 177.8 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | F378 W379 | F378-T382 HydrophobicContact CD1-CG2 4.27Å; F378-T382 HydrophobicContact CE1-CG2 3.99Å; F378-T382 PolarHBondContact O-N 3.1Å; F378-T382 PolarHBondContact O-OG1 3.36Å; W379-T382 WeakPolarHBondContact CA-OG1 3.46Å; W379-T382 CarbonylContact O-C 3.59Å; W379-T382 PolarHBondContact O-N 3.3Å; W379-T382 PolarHBondContact O-OG1 3.14Å |
| 383 | A | 78.2 | Confident | 74.4 | Confident | 24 Ų | 24 | 36.3 Ų | 36.3 | 20% | 0.198 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -93.7 | -36.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y342 T354 W379 L380 F381 | Y342-A383 HydrophobicContact CE1-CB 3.82Å; Y342-A383 HydrophobicContact CE2-CB 4.41Å; Y342-A383 PolarHBondContact OH-O 3.1Å; Y342-A383 VanDerWaalsContact OH-O 3.13Å; T354-A383 HydrophobicContact CG2-CB 4.37Å; W379-A383 HydrophobicContact CD2-CB 4.49Å; W379-A383 HydrophobicContact CH2-CB 4.16Å; W379-A383 HydrophobicContact CZ2-CB 3.99Å; W379-A383 HydrophobicContact CZ3-CB 4.49Å; W379-A383 WeakPolarHBondContact O-CB 3.13Å; W379-A383 PolarHBondContact O-N 3.25Å; L380-A383 PolarHBondContact O-N 3.33Å; L380-A383 VanDerWaalsContact O-N 3.14Å; F381-A383 PolarHBondContact O-N 3.43Å |
| 384 | V | 74.6 | Confident | 73.5 | Confident | 66 Ų | 66 | 37.4 Ų | 37.4 | 40% | 0.4 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -101.4 | -30.6 | -176.7 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | T354 L380 S386 | T354-V384 HydrophobicContact CG2-CG2 3.51Å; L380-V384 WeakPolarHBondContact O-CB 2.9Å; L380-V384 WeakPolarHBondContact O-CG2 3.44Å; L380-V384 PolarHBondContact O-N 3.47Å; V384-S386 PolarHBondContact O-N 3.33Å |
| 385 | E | 68.6 | Low | 72.7 | Confident | 105 Ų | 105 | 37.4 Ų | 37.4 | 49% | 0.491 | 20% | 0.196 | S | C | . | . | trans | 56.1 | 28.2 | -175.5 | -57.3 | -175.3 | 163.1 | 0 | 0 | 113.7 | F381 | F381-E385 VanDerWaalsContact O-CA 3.23Å; F381-E385 WeakPolarHBondContact O-CA 3.37Å; F381-E385 PolarHBondContact O-N 2.8Å | ||
| 386 | S | 70 | Confident | 71.8 | Confident | 28 Ų | 28 | 33.1 Ų | 33.1 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | trans | -88.6 | 146.4 | 178.7 | 93.1 | 0 | 0 | 0 | 0 | 113.4 | V384 E388 V389 Y390 | V384-S386 PolarHBondContact O-N 3.33Å; S386-E388 PolarHBondContact O-N 3.41Å; S386-E388 PolarHBondContact OG-N 3.26Å; S386-V389 PolarHBondContact O-N 2.79Å; S386-V389 WeakPolarHBondContact OG-CG2 3.41Å; S386-V389 PolarHBondContact OG-N 3.42Å; S386-Y390 PolarHBondContact O-N 3.48Å | ||
| 387 | V | 62 | Low | 70.6 | Confident | 24 Ų | 24 | 33.5 Ų | 33.5 | 15% | 0.145 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62 | -31.3 | 174.4 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | Y390 Q391 E424 Y427 | V387-Y390 WeakPolarHBondContact O-CB 3.16Å; V387-Y390 PolarHBondContact O-N 3.01Å; V387-Q391 WeakPolarHBondContact O-CG 3.45Å; V387-Q391 PolarHBondContact O-N 3.39Å; V387-E424 HydrophobicContact CG2-CB 4.23Å; V387-E424 HydrophobicContact CG2-CG 3.91Å; V387-Y427 HydrophobicContact CG1-CG 4.26Å |
| 388 | E | 65.4 | Low | 69.2 | Low | 114 Ų | 114 | 36.2 Ų | 36.2 | 53% | 0.533 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.3 | -49.8 | 178.8 | -67.2 | 156.3 | 168.9 | 0 | 0 | 110.9 | S386 Y390 Q391 Q392 | S386-E388 PolarHBondContact O-N 3.41Å; S386-E388 PolarHBondContact OG-N 3.26Å; E388-Y390 PolarHBondContact O-N 2.85Å; E388-Q391 WeakPolarHBondContact O-CB 3.43Å; E388-Q391 PolarHBondContact O-N 3.12Å; E388-Q391 VanDerWaalsContact O-N 3.08Å; E388-Q392 VanDerWaalsContact O-CG 3.32Å; E388-Q392 WeakPolarHBondContact O-CG 3.06Å; E388-Q392 PolarHBondContact O-N 3.41Å; E388-Q392 VanDerWaalsContact O-N 3.1Å |
| 389 | V | 70.2 | Confident | 67.8 | Low | 13 Ų | 13 | 33.5 Ų | 33.5 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -34.4 | 178.3 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | L380 F381 S386 Q392 L393 | L380-V389 HydrophobicContact CB-CG1 3.66Å; F381-V389 HydrophobicContact CB-CG1 3.83Å; S386-V389 PolarHBondContact O-N 2.79Å; S386-V389 WeakPolarHBondContact OG-CG2 3.41Å; S386-V389 PolarHBondContact OG-N 3.42Å; V389-Q392 WeakPolarHBondContact O-CB 3.37Å; V389-Q392 PolarHBondContact O-N 2.95Å; V389-L393 WeakPolarHBondContact O-CB 3.02Å; V389-L393 PolarHBondContact O-N 3.19Å |
| 390 | Y | 66.5 | Low | 66.5 | Low | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -40.7 | 174.6 | 178.2 | -135.6 | 0 | 0 | 0 | 112.9 | S386 V387 E388 Q392 L393 I394 F409 I410 F413 L431 | S386-Y390 PolarHBondContact O-N 3.48Å; V387-Y390 WeakPolarHBondContact O-CB 3.16Å; V387-Y390 PolarHBondContact O-N 3.01Å; E388-Y390 PolarHBondContact O-N 2.85Å; Y390-Q392 VanDerWaalsContact C-N 3.32Å; Y390-Q392 PolarHBondContact O-N 3.08Å; Y390-L393 PolarHBondContact O-N 2.78Å; Y390-I394 HydrophobicContact CD1-CD1 4.45Å; Y390-I394 HydrophobicContact CD2-CD1 4.06Å; Y390-I394 HydrophobicContact CD2-CG1 4.31Å; Y390-I394 HydrophobicContact CE1-CD1 3.98Å; Y390-I394 HydrophobicContact CE2-CD1 3.5Å; Y390-I394 HydrophobicContact CE2-CG1 3.95Å; Y390-I394 HydrophobicContact CG-CD1 4.48Å; Y390-I394 VanDerWaalsContact CZ-CD1 3.44Å; Y390-I394 PolarHBondContact O-N 3.28Å; Y390-F409 HydrophobicContact CD2-CE1 4.21Å; Y390-F409 AromaticContact CE2-CE1 3.92Å; Y390-F409 HydrophobicContact CE2-CE1 3.92Å; Y390-I410 WeakPolarHBondContact OH-CG1 3.37Å; Y390-F413 HydrophobicContact CD1-CE1 4.08Å; Y390-F413 AromaticContact CD1-CZ 3.84Å; Y390-F413 HydrophobicContact CD1-CZ 3.84Å; Y390-F413 HydrophobicContact CD2-CD2 4.42Å; Y390-F413 HydrophobicContact CD2-CE1 4.07Å; Y390-F413 AromaticContact CD2-CE2 3.5Å; Y390-F413 HydrophobicContact CD2-CE2 3.5Å; Y390-F413 AromaticContact CD2-CZ 3.33Å; Y390-F413 HydrophobicContact CD2-CZ 3.33Å; Y390-F413 HydrophobicContact CE1-CE1 4.03Å; Y390-F413 HydrophobicContact CE1-CZ 4.17Å; Y390-F413 HydrophobicContact CE2-CD1 4.47Å; Y390-F413 HydrophobicContact CE2-CD2 4.43Å; Y390-F413 HydrophobicContact CE2-CE1 4.06Å; Y390-F413 AromaticContact CE2-CE2 3.89Å; Y390-F413 HydrophobicContact CE2-CE2 3.89Å; Y390-F413 AromaticContact CE2-CZ 3.74Å; Y390-F413 HydrophobicContact CE2-CZ 3.74Å; Y390-F413 HydrophobicContact CG-CE1 4.11Å; Y390-F413 HydrophobicContact CG-CE2 4.04Å; Y390-F413 AromaticContact CG-CZ 3.42Å; Y390-F413 HydrophobicContact CG-CZ 3.42Å; Y390-F413 VanDerWaalsContact CG-CZ 3.42Å; Y390-L431 HydrophobicContact CD1-CB 4.35Å; Y390-L431 HydrophobicContact CD1-CD1 3.21Å; Y390-L431 HydrophobicContact CD1-CG 4.33Å; Y390-L431 HydrophobicContact CE1-CB 3.37Å; Y390-L431 HydrophobicContact CE1-CD1 3.13Å; Y390-L431 HydrophobicContact CE1-CG 3.8Å; Y390-L431 HydrophobicContact CG-CD1 4.32Å |
| 391 | Q | 62.2 | Low | 65.1 | Low | 77 Ų | 77 | 38.1 Ų | 38.1 | 36% | 0.36 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 174.3 | -69.6 | 173 | 7.2 | 0 | 0 | 111.7 | V387 E388 I394 A395 L431 | V387-Q391 WeakPolarHBondContact O-CG 3.45Å; V387-Q391 PolarHBondContact O-N 3.39Å; E388-Q391 WeakPolarHBondContact O-CB 3.43Å; E388-Q391 PolarHBondContact O-N 3.12Å; E388-Q391 VanDerWaalsContact O-N 3.08Å; Q391-I394 PolarHBondContact O-N 2.98Å; Q391-A395 WeakPolarHBondContact O-CB 3.13Å; Q391-A395 PolarHBondContact O-N 2.83Å; Q391-L431 HydrophobicContact CG-CD1 4.26Å |
| 392 | Q | 67.7 | Low | 64 | Low | 18 Ų | 18 | 38.7 Ų | 38.7 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 177.6 | -64.3 | 176.5 | -19.9 | 0 | 0 | 112.2 | H358 L377 E388 V389 Y390 A395 A396 W540 E544 | H358-Q392 PolarHBondContact CE1-NE2 3.05Å; H358-Q392 VanDerWaalsContact NE2-CD 3.33Å; H358-Q392 PolarHBondContact NE2-NE2 3.17Å; H358-Q392 PolarHBondContact NE2-OE1 3.02Å; H358-Q392 VanDerWaalsContact NE2-OE1 3.13Å; L377-Q392 HydrophobicContact CD2-CB 4.13Å; E388-Q392 VanDerWaalsContact O-CG 3.32Å; E388-Q392 WeakPolarHBondContact O-CG 3.06Å; E388-Q392 PolarHBondContact O-N 3.41Å; E388-Q392 VanDerWaalsContact O-N 3.1Å; V389-Q392 WeakPolarHBondContact O-CB 3.37Å; V389-Q392 PolarHBondContact O-N 2.95Å; Y390-Q392 VanDerWaalsContact C-N 3.32Å; Y390-Q392 PolarHBondContact O-N 3.08Å; Q392-A395 WeakPolarHBondContact O-CB 2.9Å; Q392-A395 PolarHBondContact O-N 3.44Å; Q392-A396 WeakPolarHBondContact O-CB 3.5Å; Q392-A396 PolarHBondContact O-N 3.27Å; Q392-W540 HydrophobicContact CB-CH2 3.95Å; Q392-W540 HydrophobicContact CB-CZ2 3.42Å; Q392-W540 VanDerWaalsContact CB-CZ2 3.42Å; Q392-W540 HydrophobicContact CG-CH2 4.4Å; Q392-W540 HydrophobicContact CG-CZ2 3.41Å; Q392-W540 VanDerWaalsContact CG-CZ2 3.41Å; Q392-E544 PolarHBondContact NE2-OE1 2.83Å |
| 393 | L | 69.9 | Low | 62.7 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -43.1 | 176.1 | 179.7 | 61.7 | 0 | 0 | 0 | 111.6 | I374 L377 F378 F381 V389 Y390 A395 A396 F397 F409 | I374-L393 HydrophobicContact CG2-CD1 4.17Å; L377-L393 HydrophobicContact CB-CB 4.23Å; L377-L393 HydrophobicContact CB-CD1 3.7Å; F378-L393 HydrophobicContact CB-CD1 4.19Å; F378-L393 HydrophobicContact CB-CD2 4.35Å; F378-L393 HydrophobicContact CD2-CD2 4.29Å; F381-L393 HydrophobicContact CB-CD2 4.37Å; V389-L393 WeakPolarHBondContact O-CB 3.02Å; V389-L393 PolarHBondContact O-N 3.19Å; Y390-L393 PolarHBondContact O-N 2.78Å; L393-A395 VanDerWaalsContact C-N 3.34Å; L393-A396 PolarHBondContact O-N 3.2Å; L393-F397 HydrophobicContact CD1-CD2 4.19Å; L393-F397 HydrophobicContact CD1-CE2 3.72Å; L393-F397 HydrophobicContact CD1-CZ 4.03Å; L393-F397 HydrophobicContact CD2-CE2 4.01Å; L393-F397 HydrophobicContact CG-CD2 3.94Å; L393-F397 HydrophobicContact CG-CE2 3.54Å; L393-F397 HydrophobicContact CG-CZ 4.31Å; L393-F397 VanDerWaalsContact O-CD2 3.23Å; L393-F397 WeakPolarHBondContact O-CD2 3.07Å; L393-F397 PolarHBondContact O-N 2.63Å; L393-F409 HydrophobicContact CD2-CE1 3.47Å; L393-F409 VanDerWaalsContact CD2-CE1 3.47Å; L393-F409 HydrophobicContact CD2-CE2 4.24Å; L393-F409 HydrophobicContact CD2-CZ 3.25Å; L393-F409 HydrophobicContact CG-CE1 4.31Å; L393-F409 HydrophobicContact CG-CZ 4.48Å |
| 394 | I | 60.9 | Low | 61.2 | Low | 24 Ų | 24 | 42.1 Ų | 42.1 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 173.9 | -73.7 | 171.7 | 0 | 0 | 0 | 110.5 | Y390 Q391 A396 F397 I398 L431 | Y390-I394 HydrophobicContact CD1-CD1 4.45Å; Y390-I394 HydrophobicContact CD2-CD1 4.06Å; Y390-I394 HydrophobicContact CD2-CG1 4.31Å; Y390-I394 HydrophobicContact CE1-CD1 3.98Å; Y390-I394 HydrophobicContact CE2-CD1 3.5Å; Y390-I394 HydrophobicContact CE2-CG1 3.95Å; Y390-I394 HydrophobicContact CG-CD1 4.48Å; Y390-I394 VanDerWaalsContact CZ-CD1 3.44Å; Y390-I394 PolarHBondContact O-N 3.28Å; Q391-I394 PolarHBondContact O-N 2.98Å; I394-A396 VanDerWaalsContact C-N 3.31Å; I394-A396 PolarHBondContact O-N 3.39Å; I394-F397 PolarHBondContact O-N 2.94Å; I394-I398 HydrophobicContact CG2-CD1 3.86Å; I394-I398 HydrophobicContact CG2-CG1 4.46Å; I394-I398 VanDerWaalsContact O-CG1 3.25Å; I394-I398 WeakPolarHBondContact O-CG1 3.15Å; I394-I398 PolarHBondContact O-N 3.16Å; I394-L431 HydrophobicContact CD1-CB 4.03Å; I394-L431 HydrophobicContact CD1-CD1 4.37Å; I394-L431 HydrophobicContact CD1-CD2 3.66Å; I394-L431 HydrophobicContact CD1-CG 4.2Å |
| 395 | A | 61 | Low | 60.1 | Low | 14 Ų | 14 | 45.4 Ų | 45.4 | 12% | 0.116 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -53.8 | -51.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q391 Q392 L393 F397 I398 V399 L537 W540 | Q391-A395 WeakPolarHBondContact O-CB 3.13Å; Q391-A395 PolarHBondContact O-N 2.83Å; Q392-A395 WeakPolarHBondContact O-CB 2.9Å; Q392-A395 PolarHBondContact O-N 3.44Å; L393-A395 VanDerWaalsContact C-N 3.34Å; A395-F397 PolarHBondContact O-N 3.46Å; A395-I398 PolarHBondContact O-N 2.89Å; A395-I398 VanDerWaalsContact O-N 3.11Å; A395-V399 WeakPolarHBondContact O-CG2 3.38Å; A395-V399 PolarHBondContact O-N 2.84Å; A395-L537 HydrophobicContact CB-CD2 3.23Å; A395-L537 WeakPolarHBondContact O-CD2 3.1Å; A395-W540 HydrophobicContact CB-CD2 4.42Å; A395-W540 HydrophobicContact CB-CE3 3.93Å; A395-W540 HydrophobicContact CB-CZ3 4.09Å |
| 396 | A | 64 | Low | 59.2 | Low | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L365 I374 L377 Q392 L393 I394 I398 V399 A400 | L365-A396 HydrophobicContact CD1-CB 4.05Å; L365-A396 HydrophobicContact CD2-CB 4.08Å; I374-A396 HydrophobicContact CG1-CB 3.82Å; L377-A396 HydrophobicContact CD1-CB 3.47Å; L377-A396 VanDerWaalsContact CD1-CB 3.47Å; Q392-A396 WeakPolarHBondContact O-CB 3.5Å; Q392-A396 PolarHBondContact O-N 3.27Å; L393-A396 PolarHBondContact O-N 3.2Å; I394-A396 VanDerWaalsContact C-N 3.31Å; I394-A396 PolarHBondContact O-N 3.39Å; A396-I398 PolarHBondContact O-N 2.99Å; A396-V399 WeakPolarHBondContact O-CB 3.09Å; A396-V399 PolarHBondContact O-N 3.3Å; A396-A400 PolarHBondContact O-N 3.06Å |
| 397 | F | 62.1 | Low | 58.4 | Low | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.039 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.9 | -37 | 174.8 | -80.6 | -52.3 | 0 | 0 | 0 | 112.3 | I374 L393 I394 A395 D401 A402 F405 F409 | I374-F397 HydrophobicContact CD1-CD1 4.04Å; I374-F397 HydrophobicContact CG1-CD1 4.49Å; I374-F397 HydrophobicContact CG2-CD1 3.85Å; I374-F397 HydrophobicContact CG2-CE1 3.36Å; I374-F397 HydrophobicContact CG2-CZ 3.89Å; L393-F397 HydrophobicContact CD1-CD2 4.19Å; L393-F397 HydrophobicContact CD1-CE2 3.72Å; L393-F397 HydrophobicContact CD1-CZ 4.03Å; L393-F397 HydrophobicContact CD2-CE2 4.01Å; L393-F397 HydrophobicContact CG-CD2 3.94Å; L393-F397 HydrophobicContact CG-CE2 3.54Å; L393-F397 HydrophobicContact CG-CZ 4.31Å; L393-F397 VanDerWaalsContact O-CD2 3.23Å; L393-F397 WeakPolarHBondContact O-CD2 3.07Å; L393-F397 PolarHBondContact O-N 2.63Å; I394-F397 PolarHBondContact O-N 2.94Å; A395-F397 PolarHBondContact O-N 3.46Å; F397-D401 PolarHBondContact O-N 2.86Å; F397-A402 HydrophobicContact CD1-CB 3.88Å; F397-A402 PolarHBondContact O-N 3.48Å; F397-F405 HydrophobicContact CD1-CB 4.4Å; F397-F405 HydrophobicContact CE1-CB 3.96Å; F397-F405 HydrophobicContact CZ-CB 4.47Å; F397-F409 AromaticContact CE2-CD1 3.76Å; F397-F409 HydrophobicContact CE2-CD1 3.76Å; F397-F409 AromaticContact CE2-CE1 3.97Å; F397-F409 HydrophobicContact CE2-CE1 3.97Å; F397-F409 HydrophobicContact CE2-CG 4.29Å; F397-F409 HydrophobicContact CZ-CD1 4.45Å |
| 398 | I | 52.1 | Low | 58.1 | Low | 58 Ų | 58 | 43.5 Ų | 43.5 | 30% | 0.297 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -72.7 | -41 | 177.8 | -55.3 | 159.7 | 0 | 0 | 0 | 111 | I394 A395 A396 A400 D401 I533 L537 | I394-I398 HydrophobicContact CG2-CD1 3.86Å; I394-I398 HydrophobicContact CG2-CG1 4.46Å; I394-I398 VanDerWaalsContact O-CG1 3.25Å; I394-I398 WeakPolarHBondContact O-CG1 3.15Å; I394-I398 PolarHBondContact O-N 3.16Å; A395-I398 PolarHBondContact O-N 2.89Å; A395-I398 VanDerWaalsContact O-N 3.11Å; A396-I398 PolarHBondContact O-N 2.99Å; I398-A400 VanDerWaalsContact C-N 3.26Å; I398-A400 PolarHBondContact O-N 3.12Å; I398-D401 PolarHBondContact O-N 3.42Å; I398-D401 VanDerWaalsContact O-N 3.12Å; I398-I533 HydrophobicContact CB-CG2 3.89Å; I398-I533 HydrophobicContact CD1-CG2 4Å; I398-I533 HydrophobicContact CG1-CG2 4.49Å; I398-I533 HydrophobicContact CG2-CB 3.71Å; I398-I533 HydrophobicContact CG2-CD1 3.39Å; I398-I533 HydrophobicContact CG2-CG1 4.1Å; I398-I533 HydrophobicContact CG2-CG2 3.2Å; I398-L537 HydrophobicContact CB-CD1 4.13Å; I398-L537 HydrophobicContact CG2-CD1 4.19Å |
| 399 | V | 51.9 | Low | 57.8 | Low | 25 Ų | 25 | 39 Ų | 39 | 15% | 0.152 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.7 | -43.7 | 173.6 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | F370 A395 A396 D401 L537 | F370-V399 HydrophobicContact CD1-CG1 3.7Å; F370-V399 HydrophobicContact CE1-CG1 3.36Å; F370-V399 HydrophobicContact CZ-CG1 4.24Å; A395-V399 WeakPolarHBondContact O-CG2 3.38Å; A395-V399 PolarHBondContact O-N 2.84Å; A396-V399 WeakPolarHBondContact O-CB 3.09Å; A396-V399 PolarHBondContact O-N 3.3Å; V399-D401 VanDerWaalsContact C-N 3.25Å; V399-D401 PolarHBondContact O-N 3.01Å; V399-L537 HydrophobicContact CB-CD1 4.13Å; V399-L537 HydrophobicContact CG2-CB 3.77Å; V399-L537 HydrophobicContact CG2-CD1 3.33Å; V399-L537 HydrophobicContact CG2-CD2 3.9Å; V399-L537 HydrophobicContact CG2-CG 3.84Å |
| 400 | A | 57.1 | Low | 57.1 | Low | 35 Ų | 35 | 38.7 Ų | 38.7 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 1.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F370 I374 A396 I398 A402 | F370-A400 HydrophobicContact CB-CB 4Å; I374-A400 HydrophobicContact CD1-CB 3.3Å; A396-A400 PolarHBondContact O-N 3.06Å; I398-A400 VanDerWaalsContact C-N 3.26Å; I398-A400 PolarHBondContact O-N 3.12Å; A400-A402 HydrophobicContact CB-CB 4.38Å; A400-A402 PolarHBondContact O-N 3.21Å |
| 401 | D | 52.3 | Low | 56.8 | Low | 103 Ų | 103 | 43.8 Ų | 43.8 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 31.8 | -174.6 | -158 | 11.8 | 0 | 0 | 0 | 113.7 | F397 I398 V399 S403 | F397-D401 PolarHBondContact O-N 2.86Å; I398-D401 PolarHBondContact O-N 3.42Å; I398-D401 VanDerWaalsContact O-N 3.12Å; V399-D401 VanDerWaalsContact C-N 3.25Å; V399-D401 PolarHBondContact O-N 3.01Å; D401-S403 PolarHBondContact O-N 2.94Å |
| 402 | A | 51.9 | Low | 56.6 | Low | 20 Ų | 20 | 45.9 Ų | 45.9 | 17% | 0.165 | 27% | 0.273 | C | S | . | . | trans | -87.7 | 45.3 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | F397 A400 S404 F405 | F397-A402 HydrophobicContact CD1-CB 3.88Å; F397-A402 PolarHBondContact O-N 3.48Å; A400-A402 HydrophobicContact CB-CB 4.38Å; A400-A402 PolarHBondContact O-N 3.21Å; A402-S404 VanDerWaalsContact C-N 3.29Å; A402-S404 PolarHBondContact O-N 2.88Å; A402-S404 VanDerWaalsContact O-N 3.16Å; A402-F405 WeakPolarHBondContact O-CB 3.48Å; A402-F405 PolarHBondContact O-N 2.87Å | ||
| 403 | S | 47.5 | Very low | 56.1 | Low | 50 Ų | 50 | 45.4 Ų | 45.4 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.8 | -27 | -169.1 | 58.9 | 0 | 0 | 0 | 0 | 116.4 | D401 F405 | D401-S403 PolarHBondContact O-N 2.94Å; S403-F405 VanDerWaalsContact C-N 3.29Å |
| 404 | S | 47.9 | Very low | 55.3 | Low | 98 Ų | 98 | 48 Ų | 48 | 69% | 0.685 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -69.6 | -26.4 | 176.7 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | A402 | A402-S404 VanDerWaalsContact C-N 3.29Å; A402-S404 PolarHBondContact O-N 2.88Å; A402-S404 VanDerWaalsContact O-N 3.16Å |
| 405 | F | 51.2 | Low | 55.2 | Low | 136 Ų | 136 | 50.4 Ų | 50.4 | 60% | 0.596 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -75.2 | -34 | 177.5 | -85.6 | -90.7 | 0 | 0 | 0 | 112.1 | F397 A402 S403 A407 F409 | F397-F405 HydrophobicContact CD1-CB 4.4Å; F397-F405 HydrophobicContact CE1-CB 3.96Å; F397-F405 HydrophobicContact CZ-CB 4.47Å; A402-F405 WeakPolarHBondContact O-CB 3.48Å; A402-F405 PolarHBondContact O-N 2.87Å; S403-F405 VanDerWaalsContact C-N 3.29Å; F405-A407 PolarHBondContact O-N 3.12Å; F405-F409 WeakPolarHBondContact O-CB 3.32Å; F405-F409 PolarHBondContact O-N 3.1Å |
| 406 | C | 50.5 | Low | 55.1 | Low | 12 Ų | 12 | 57.4 Ų | 57.4 | 8% | 0.081 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58 | -47.8 | -173 | -73.1 | 0 | 0 | 0 | 0 | 114 | F409 I410 | C406-F409 PolarHBondContact O-N 2.74Å; C406-I410 WeakPolarHBondContact O-CB 3.48Å; C406-I410 WeakPolarHBondContact O-CD1 3.42Å; C406-I410 WeakPolarHBondContact O-CG1 3.38Å; C406-I410 PolarHBondContact O-N 3.32Å |
| 407 | A | 52.3 | Low | 54.6 | Low | 37 Ų | 37 | 58.7 Ų | 58.7 | 31% | 0.306 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.7 | -53.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112 | F405 F409 I410 D411 | F405-A407 PolarHBondContact O-N 3.12Å; A407-F409 VanDerWaalsContact C-N 3.26Å; A407-F409 PolarHBondContact O-N 3.36Å; A407-I410 PolarHBondContact O-N 3.1Å; A407-D411 PolarHBondContact O-N 3.47Å; A407-D411 VanDerWaalsContact O-N 3.17Å |
| 408 | A | 56.2 | Low | 54.2 | Low | 67 Ų | 67 | 68.5 Ų | 68.5 | 55% | 0.554 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.3 | -34.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N412 | A408-N412 WeakPolarHBondContact O-CB 3.47Å; A408-N412 PolarHBondContact O-N 3.08Å |
| 409 | F | 58.2 | Low | 54.5 | Low | 21 Ų | 21 | 66.9 Ų | 66.9 | 9% | 0.092 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 175.1 | 174.3 | -116.8 | 0 | 0 | 0 | 112 | F378 Y390 L393 F397 F405 C406 A407 D411 N412 F413 | F378-F409 AromaticContact CD2-CD2 3.94Å; F378-F409 HydrophobicContact CD2-CD2 3.94Å; F378-F409 AromaticContact CD2-CE2 3.4Å; F378-F409 HydrophobicContact CD2-CE2 3.4Å; F378-F409 VanDerWaalsContact CD2-CE2 3.4Å; F378-F409 AromaticContact CD2-CZ 4Å; F378-F409 HydrophobicContact CD2-CZ 4Å; F378-F409 AromaticContact CE2-CD2 3.32Å; F378-F409 HydrophobicContact CE2-CD2 3.32Å; F378-F409 AromaticContact CE2-CE2 3.02Å; F378-F409 HydrophobicContact CE2-CE2 3.02Å; F378-F409 HydrophobicContact CE2-CZ 4.05Å; F378-F409 HydrophobicContact CZ-CD2 4.26Å; F378-F409 AromaticContact CZ-CE2 3.88Å; F378-F409 HydrophobicContact CZ-CE2 3.88Å; Y390-F409 HydrophobicContact CD2-CE1 4.21Å; Y390-F409 AromaticContact CE2-CE1 3.92Å; Y390-F409 HydrophobicContact CE2-CE1 3.92Å; L393-F409 HydrophobicContact CD2-CE1 3.47Å; L393-F409 VanDerWaalsContact CD2-CE1 3.47Å; L393-F409 HydrophobicContact CD2-CE2 4.24Å; L393-F409 HydrophobicContact CD2-CZ 3.25Å; L393-F409 HydrophobicContact CG-CE1 4.31Å; L393-F409 HydrophobicContact CG-CZ 4.48Å; F397-F409 AromaticContact CE2-CD1 3.76Å; F397-F409 HydrophobicContact CE2-CD1 3.76Å; F397-F409 AromaticContact CE2-CE1 3.97Å; F397-F409 HydrophobicContact CE2-CE1 3.97Å; F397-F409 HydrophobicContact CE2-CG 4.29Å; F397-F409 HydrophobicContact CZ-CD1 4.45Å; F405-F409 WeakPolarHBondContact O-CB 3.32Å; F405-F409 PolarHBondContact O-N 3.1Å; C406-F409 PolarHBondContact O-N 2.74Å; A407-F409 VanDerWaalsContact C-N 3.26Å; A407-F409 PolarHBondContact O-N 3.36Å; F409-D411 PolarHBondContact O-N 3.5Å; F409-N412 PolarHBondContact O-N 3.15Å; F409-F413 AromaticContact CE1-CD2 3.99Å; F409-F413 HydrophobicContact CE1-CD2 3.99Å; F409-F413 HydrophobicContact CE1-CE2 4.26Å; F409-F413 AromaticContact CE2-CD2 3.91Å; F409-F413 HydrophobicContact CE2-CD2 3.91Å; F409-F413 AromaticContact CZ-CD2 3.44Å; F409-F413 HydrophobicContact CZ-CD2 3.44Å; F409-F413 VanDerWaalsContact CZ-CD2 3.44Å; F409-F413 AromaticContact CZ-CE2 3.81Å; F409-F413 HydrophobicContact CZ-CE2 3.81Å; F409-F413 HydrophobicContact CZ-CG 4.43Å; F409-F413 WeakPolarHBondContact O-CB 3.39Å; F409-F413 PolarHBondContact O-N 3.05Å |
| 410 | I | 56 | Low | 54.7 | Low | 6 Ų | 6 | 73.7 Ų | 73.7 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.7 | -41.7 | -177.9 | -72.6 | 169.1 | 0 | 0 | 0 | 111.4 | Y390 C406 A407 F413 E414 R432 | Y390-I410 WeakPolarHBondContact OH-CG1 3.37Å; C406-I410 WeakPolarHBondContact O-CB 3.48Å; C406-I410 WeakPolarHBondContact O-CD1 3.42Å; C406-I410 WeakPolarHBondContact O-CG1 3.38Å; C406-I410 PolarHBondContact O-N 3.32Å; A407-I410 PolarHBondContact O-N 3.1Å; I410-F413 WeakPolarHBondContact O-CB 3.37Å; I410-F413 PolarHBondContact O-N 3.28Å; I410-E414 PolarHBondContact O-N 2.9Å; I410-R432 HydrophobicContact CG2-CB 4.44Å; I410-R432 HydrophobicContact CG2-CG 4.07Å |
| 411 | D | 59.9 | Low | 54.6 | Low | 110 Ų | 110 | 75.2 Ų | 75.2 | 59% | 0.588 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 177.2 | -71.6 | -23.5 | 0 | 0 | 0 | 112.1 | A407 F409 F413 | A407-D411 PolarHBondContact O-N 3.47Å; A407-D411 VanDerWaalsContact O-N 3.17Å; F409-D411 PolarHBondContact O-N 3.5Å; D411-F413 PolarHBondContact O-N 3.37Å |
| 412 | N | 58.3 | Low | 54.7 | Low | 120 Ų | 120 | 76.6 Ų | 76.6 | 64% | 0.642 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -71.2 | -21.3 | 179.2 | -137.5 | -7.3 | 0 | 0 | 0 | 112.6 | A408 F409 | A408-N412 WeakPolarHBondContact O-CB 3.47Å; A408-N412 PolarHBondContact O-N 3.08Å; F409-N412 PolarHBondContact O-N 3.15Å |
| 413 | F | 56.7 | Low | 54.6 | Low | 8 Ų | 8 | 78.1 Ų | 78.1 | 4% | 0.035 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -85.7 | -40.4 | -173.3 | 178.6 | -81.6 | 0 | 0 | 0 | 113.7 | F381 Y390 F409 I410 D411 G415 R416 V417 | F381-F413 AromaticContact CD1-CD2 3.76Å; F381-F413 HydrophobicContact CD1-CD2 3.76Å; F381-F413 AromaticContact CD1-CE2 3.19Å; F381-F413 HydrophobicContact CD1-CE2 3.19Å; F381-F413 HydrophobicContact CD1-CZ 4.08Å; F381-F413 AromaticContact CD2-CE2 3.62Å; F381-F413 HydrophobicContact CD2-CE2 3.62Å; F381-F413 AromaticContact CD2-CZ 3.82Å; F381-F413 HydrophobicContact CD2-CZ 3.82Å; F381-F413 AromaticContact CE1-CD2 3.38Å; F381-F413 HydrophobicContact CE1-CD2 3.38Å; F381-F413 HydrophobicContact CE1-CE1 4.44Å; F381-F413 AromaticContact CE1-CE2 2.86Å; F381-F413 HydrophobicContact CE1-CE2 2.86Å; F381-F413 HydrophobicContact CE1-CG 4.39Å; F381-F413 AromaticContact CE1-CZ 3.47Å; F381-F413 HydrophobicContact CE1-CZ 3.47Å; F381-F413 VanDerWaalsContact CE1-CZ 3.47Å; F381-F413 HydrophobicContact CE2-CE1 4.3Å; F381-F413 AromaticContact CE2-CE2 3.33Å; F381-F413 HydrophobicContact CE2-CE2 3.33Å; F381-F413 AromaticContact CE2-CZ 3.14Å; F381-F413 HydrophobicContact CE2-CZ 3.14Å; F381-F413 AromaticContact CG-CE2 3.59Å; F381-F413 HydrophobicContact CG-CE2 3.59Å; F381-F413 HydrophobicContact CG-CZ 4.26Å; F381-F413 AromaticContact CZ-CD2 3.85Å; F381-F413 HydrophobicContact CZ-CD2 3.85Å; F381-F413 AromaticContact CZ-CE1 3.94Å; F381-F413 HydrophobicContact CZ-CE1 3.94Å; F381-F413 AromaticContact CZ-CE2 2.97Å; F381-F413 HydrophobicContact CZ-CE2 2.97Å; F381-F413 AromaticContact CZ-CZ 2.98Å; F381-F413 HydrophobicContact CZ-CZ 2.98Å; Y390-F413 HydrophobicContact CD1-CE1 4.08Å; Y390-F413 AromaticContact CD1-CZ 3.84Å; Y390-F413 HydrophobicContact CD1-CZ 3.84Å; Y390-F413 HydrophobicContact CD2-CD2 4.42Å; Y390-F413 HydrophobicContact CD2-CE1 4.07Å; Y390-F413 AromaticContact CD2-CE2 3.5Å; Y390-F413 HydrophobicContact CD2-CE2 3.5Å; Y390-F413 AromaticContact CD2-CZ 3.33Å; Y390-F413 HydrophobicContact CD2-CZ 3.33Å; Y390-F413 HydrophobicContact CE1-CE1 4.03Å; Y390-F413 HydrophobicContact CE1-CZ 4.17Å; Y390-F413 HydrophobicContact CE2-CD1 4.47Å; Y390-F413 HydrophobicContact CE2-CD2 4.43Å; Y390-F413 HydrophobicContact CE2-CE1 4.06Å; Y390-F413 AromaticContact CE2-CE2 3.89Å; Y390-F413 HydrophobicContact CE2-CE2 3.89Å; Y390-F413 AromaticContact CE2-CZ 3.74Å; Y390-F413 HydrophobicContact CE2-CZ 3.74Å; Y390-F413 HydrophobicContact CG-CE1 4.11Å; Y390-F413 HydrophobicContact CG-CE2 4.04Å; Y390-F413 AromaticContact CG-CZ 3.42Å; Y390-F413 HydrophobicContact CG-CZ 3.42Å; Y390-F413 VanDerWaalsContact CG-CZ 3.42Å; F409-F413 AromaticContact CE1-CD2 3.99Å; F409-F413 HydrophobicContact CE1-CD2 3.99Å; F409-F413 HydrophobicContact CE1-CE2 4.26Å; F409-F413 AromaticContact CE2-CD2 3.91Å; F409-F413 HydrophobicContact CE2-CD2 3.91Å; F409-F413 AromaticContact CZ-CD2 3.44Å; F409-F413 HydrophobicContact CZ-CD2 3.44Å; F409-F413 VanDerWaalsContact CZ-CD2 3.44Å; F409-F413 AromaticContact CZ-CE2 3.81Å; F409-F413 HydrophobicContact CZ-CE2 3.81Å; F409-F413 HydrophobicContact CZ-CG 4.43Å; F409-F413 WeakPolarHBondContact O-CB 3.39Å; F409-F413 PolarHBondContact O-N 3.05Å; I410-F413 WeakPolarHBondContact O-CB 3.37Å; I410-F413 PolarHBondContact O-N 3.28Å; D411-F413 PolarHBondContact O-N 3.37Å; F413-G415 PolarHBondContact O-N 3.21Å; F413-G415 VanDerWaalsContact O-N 3.14Å; F413-R416 PolarHBondContact O-N 3.32Å; F413-V417 HydrophobicContact CD1-CG2 3.63Å; F413-V417 HydrophobicContact CE1-CB 4.2Å; F413-V417 HydrophobicContact CE1-CG2 3.22Å; F413-V417 HydrophobicContact CE2-CG2 4.32Å; F413-V417 HydrophobicContact CG-CG2 4.28Å; F413-V417 HydrophobicContact CZ-CG2 3.63Å; F413-V417 PolarHBondContact O-N 2.88Å |
| 414 | E | 53 | Low | 54.8 | Low | 55 Ų | 55 | 78.9 Ų | 78.9 | 26% | 0.257 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.2 | -24.4 | 178 | -78 | -169.1 | 161.4 | 0 | 0 | 113.2 | I410 R416 V428 R432 | I410-E414 PolarHBondContact O-N 2.9Å; E414-R416 PolarHBondContact O-N 3.32Å; E414-V428 HydrophobicContact CG-CG1 4.11Å; E414-R432 WeakPolarHBondContact OE1-CD 3.45Å; E414-R432 WeakPolarHBondContact OE1-CG 3.44Å; E414-R432 IonicContact OE1-CZ 2.88Å; E414-R432 IonicContact OE1-NE 2.81Å; E414-R432 PolarHBondContact OE1-NE 2.97Å; E414-R432 IonicContact OE1-NH1 3.65Å; E414-R432 PolarHBondContact OE1-NH1 3.09Å; E414-R432 IonicContact OE1-NH2 3.81Å; E414-R432 IonicContact OE2-CZ 3.66Å; E414-R432 IonicContact OE2-NE 3.27Å; E414-R432 PolarHBondContact OE2-NE 2.78Å; E414-R432 IonicContact OE2-NH1 3.93Å; E414-R432 PolarHBondContact OE2-NH1 3.25Å; E414-R432 IonicContact OE2-NH2 2.85Å; E414-R432 PolarHBondContact OE2-NH2 2.97Å |
| 415 | G | 59.4 | Low | 55.3 | Low | 74 Ų | 74 | 78.8 Ų | 78.8 | 76% | 0.763 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F413 | F413-G415 PolarHBondContact O-N 3.21Å; F413-G415 VanDerWaalsContact O-N 3.14Å |
| 416 | R | 59 | Low | 55.2 | Low | 161 Ų | 161 | 73.6 Ų | 73.6 | 61% | 0.608 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -33.8 | -173.6 | -63.6 | -172.9 | -178.1 | -172.3 | -0.1 | 114.4 | F413 E414 | F413-R416 PolarHBondContact O-N 3.32Å; E414-R416 PolarHBondContact O-N 3.32Å |
| 417 | V | 53 | Low | 55.2 | Low | 28 Ų | 28 | 75.1 Ų | 75.1 | 17% | 0.17 | 40% | 0.397 | C | S | . | . | trans | -82.3 | 121.5 | -173.7 | -174 | 0 | 0 | 0 | 0 | 112.1 | F381 F413 A419 | F381-V417 HydrophobicContact CE1-CG2 4.15Å; F381-V417 HydrophobicContact CE2-CG2 4.37Å; F381-V417 HydrophobicContact CZ-CG2 3.44Å; F381-V417 VanDerWaalsContact CZ-CG2 3.44Å; F413-V417 HydrophobicContact CD1-CG2 3.63Å; F413-V417 HydrophobicContact CE1-CB 4.2Å; F413-V417 HydrophobicContact CE1-CG2 3.22Å; F413-V417 HydrophobicContact CE2-CG2 4.32Å; F413-V417 HydrophobicContact CG-CG2 4.28Å; F413-V417 HydrophobicContact CZ-CG2 3.63Å; F413-V417 PolarHBondContact O-N 2.88Å; V417-A419 PolarHBondContact O-N 2.88Å | ||
| 418 | R | 54.9 | Low | 55.2 | Low | 214 Ų | 214 | 74.1 Ų | 74.1 | 81% | 0.808 | 39% | 0.387 | S | S | * | . | trans | -85.2 | 93.4 | 165.9 | -67 | -175.9 | -177.8 | -173.4 | 1.4 | 109.2 | E420 | R418-E420 PolarHBondContact O-N 3.41Š| ||
| 419 | A | 56.5 | Low | 55.1 | Low | 25 Ų | 25 | 78 Ų | 78 | 21% | 0.207 | 39% | 0.387 | C | S | . | . | trans | -71.5 | 107.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | V417 E424 K425 V428 | V417-A419 PolarHBondContact O-N 2.88Å; A419-E424 HydrophobicContact CB-CB 3.94Å; A419-K425 HydrophobicContact CB-CB 4.23Å; A419-K425 HydrophobicContact CB-CG 3.5Å; A419-K425 WeakPolarHBondContact O-CE 3.49Å; A419-V428 HydrophobicContact CB-CG2 4.47Å | ||
| 420 | E | 56.2 | Low | 54.6 | Low | 167 Ų | 167 | 78.4 Ų | 78.4 | 78% | 0.78 | 39% | 0.388 | S | S | * | . | trans | -84.3 | -39.1 | -173.8 | -63.4 | -166.5 | 159.6 | 0 | 0 | 111.4 | R418 E424 | R418-E420 PolarHBondContact O-N 3.41Å; E420-E424 PolarHBondContact N-OE2 2.74Å; E420-E424 VanDerWaalsContact N-OE2 3.12Å | ||
| 421 | T | 55.8 | Low | 54.3 | Low | 67 Ų | 67 | 79 Ų | 79 | 41% | 0.411 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -93.8 | 149.4 | 179.6 | 66.4 | 0 | 0 | 0 | 0 | 111.7 | A423 E424 K425 | T421-A423 PolarHBondContact O-N 3.23Å; T421-E424 PolarHBondContact N-OE2 3.21Å; T421-E424 PolarHBondContact O-N 3.36Å; T421-E424 VanDerWaalsContact O-N 3.09Å; T421-E424 WeakPolarHBondContact OG1-CB 3.42Å; T421-E424 WeakPolarHBondContact OG1-CG 3.48Å; T421-E424 PolarHBondContact OG1-N 3.01Å; T421-E424 VanDerWaalsContact OG1-N 3.1Å; T421-E424 PolarHBondContact OG1-OE2 2.81Å; T421-K425 PolarHBondContact O-N 3.33Å |
| 422 | E | 54.9 | Low | 53.8 | Low | 133 Ų | 133 | 79.4 Ų | 79.4 | 62% | 0.621 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.1 | -32.1 | 172.5 | -77.1 | -56.1 | 131.1 | 0 | 0 | 111.7 | K425 L426 | E422-K425 PolarHBondContact O-N 3.24Å; E422-K425 WeakPolarHBondContact OE1-CD 3.33Å; E422-K425 IonicContact OE1-NZ 3.78Å; E422-K425 PolarHBondContact OE1-NZ 3.06Å; E422-L426 WeakPolarHBondContact O-CB 3.09Å; E422-L426 PolarHBondContact O-N 3.16Å |
| 423 | A | 48.9 | Very low | 53.4 | Low | 52 Ų | 52 | 74.4 Ų | 74.4 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T421 L426 Y427 | T421-A423 PolarHBondContact O-N 3.23Å; A423-L426 CarbonylContact O-C 3.59Å; A423-L426 VanDerWaalsContact O-CB 3.31Å; A423-L426 WeakPolarHBondContact O-CB 3.23Å; A423-L426 PolarHBondContact O-N 2.96Å; A423-Y427 HydrophobicContact CB-CD2 4.49Å; A423-Y427 HydrophobicContact CB-CE2 4.21Å; A423-Y427 WeakPolarHBondContact O-CD2 3.45Å; A423-Y427 PolarHBondContact O-N 3.39Å |
| 424 | E | 52.1 | Low | 53 | Low | 66 Ų | 66 | 76.2 Ų | 76.2 | 31% | 0.308 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 177.9 | -71.5 | 161.1 | 158 | 0 | 0 | 112.4 | V387 A419 E420 T421 L426 Y427 V428 | V387-E424 HydrophobicContact CG2-CB 4.23Å; V387-E424 HydrophobicContact CG2-CG 3.91Å; A419-E424 HydrophobicContact CB-CB 3.94Å; E420-E424 PolarHBondContact N-OE2 2.74Å; E420-E424 VanDerWaalsContact N-OE2 3.12Å; T421-E424 PolarHBondContact N-OE2 3.21Å; T421-E424 PolarHBondContact O-N 3.36Å; T421-E424 VanDerWaalsContact O-N 3.09Å; T421-E424 WeakPolarHBondContact OG1-CB 3.42Å; T421-E424 WeakPolarHBondContact OG1-CG 3.48Å; T421-E424 PolarHBondContact OG1-N 3.01Å; T421-E424 VanDerWaalsContact OG1-N 3.1Å; T421-E424 PolarHBondContact OG1-OE2 2.81Å; E424-L426 PolarHBondContact O-N 3.47Å; E424-Y427 CarbonylContact O-C 3.28Å; E424-Y427 WeakPolarHBondContact O-CA 3.4Å; E424-Y427 WeakPolarHBondContact O-CB 3.5Å; E424-Y427 PolarHBondContact O-N 3.17Å; E424-V428 WeakPolarHBondContact O-CG2 3.39Å; E424-V428 PolarHBondContact O-N 2.69Å |
| 425 | K | 58.1 | Low | 52.8 | Low | 96 Ų | 96 | 73.8 Ų | 73.8 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 174.8 | -70.9 | 179.7 | -165.3 | 164.4 | 0 | 110.6 | A419 T421 E422 Y427 V428 R429 | A419-K425 HydrophobicContact CB-CB 4.23Å; A419-K425 HydrophobicContact CB-CG 3.5Å; A419-K425 WeakPolarHBondContact O-CE 3.49Å; T421-K425 PolarHBondContact O-N 3.33Å; E422-K425 PolarHBondContact O-N 3.24Å; E422-K425 WeakPolarHBondContact OE1-CD 3.33Å; E422-K425 IonicContact OE1-NZ 3.78Å; E422-K425 PolarHBondContact OE1-NZ 3.06Å; K425-Y427 VanDerWaalsContact C-N 3.35Å; K425-V428 PolarHBondContact O-N 2.69Å; K425-R429 WeakPolarHBondContact O-CB 3.48Å; K425-R429 PolarHBondContact O-N 2.96Å |
| 426 | L | 49.3 | Very low | 52.3 | Low | 27 Ų | 27 | 71.3 Ų | 71.3 | 14% | 0.141 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 175.5 | -156 | 65.1 | 0 | 0 | 0 | 111.7 | E422 A423 E424 R429 R430 L463 F466 | E422-L426 WeakPolarHBondContact O-CB 3.09Å; E422-L426 PolarHBondContact O-N 3.16Å; A423-L426 CarbonylContact O-C 3.59Å; A423-L426 VanDerWaalsContact O-CB 3.31Å; A423-L426 WeakPolarHBondContact O-CB 3.23Å; A423-L426 PolarHBondContact O-N 2.96Å; E424-L426 PolarHBondContact O-N 3.47Å; L426-R429 WeakPolarHBondContact O-CB 3.35Å; L426-R429 PolarHBondContact O-N 3.49Å; L426-R430 VanDerWaalsContact O-CG 3.28Å; L426-R430 WeakPolarHBondContact O-CG 3.08Å; L426-R430 PolarHBondContact O-N 2.95Å; L426-L463 HydrophobicContact CD1-CD2 4.29Å; L426-F466 HydrophobicContact CD1-CD1 3.47Å; L426-F466 VanDerWaalsContact CD1-CD1 3.47Å; L426-F466 HydrophobicContact CD1-CD2 4.21Å; L426-F466 HydrophobicContact CD1-CE1 3.26Å; L426-F466 HydrophobicContact CD1-CE2 4.03Å; L426-F466 HydrophobicContact CD1-CG 3.9Å; L426-F466 HydrophobicContact CD1-CZ 3.52Å; L426-F466 HydrophobicContact CD2-CB 3.63Å; L426-F466 HydrophobicContact CD2-CD1 3.82Å; L426-F466 HydrophobicContact CD2-CD2 3.96Å; L426-F466 HydrophobicContact CD2-CE1 4.43Å; L426-F466 HydrophobicContact CD2-CG 3.48Å; L426-F466 VanDerWaalsContact CD2-CG 3.48Å; L426-F466 HydrophobicContact CG-CB 4.35Å; L426-F466 HydrophobicContact CG-CD1 3.8Å; L426-F466 HydrophobicContact CG-CD2 3.74Å; L426-F466 HydrophobicContact CG-CE1 3.9Å; L426-F466 HydrophobicContact CG-CE2 3.83Å; L426-F466 HydrophobicContact CG-CG 3.65Å; L426-F466 HydrophobicContact CG-CZ 3.87Å |
| 427 | Y | 49.4 | Very low | 51.7 | Low | 43 Ų | 43 | 64.5 Ų | 64.5 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.7 | -45.2 | 175.1 | -77 | -65.5 | 0 | 0 | 0 | 112.8 | V387 A423 E424 K425 R429 R430 L431 F588 | V387-Y427 HydrophobicContact CG1-CG 4.26Å; A423-Y427 HydrophobicContact CB-CD2 4.49Å; A423-Y427 HydrophobicContact CB-CE2 4.21Å; A423-Y427 WeakPolarHBondContact O-CD2 3.45Å; A423-Y427 PolarHBondContact O-N 3.39Å; E424-Y427 CarbonylContact O-C 3.28Å; E424-Y427 WeakPolarHBondContact O-CA 3.4Å; E424-Y427 WeakPolarHBondContact O-CB 3.5Å; E424-Y427 PolarHBondContact O-N 3.17Å; K425-Y427 VanDerWaalsContact C-N 3.35Å; Y427-R429 VanDerWaalsContact C-N 3.27Å; Y427-R429 PolarHBondContact O-N 3.49Å; Y427-R430 VanDerWaalsContact O-CB 3.31Å; Y427-R430 WeakPolarHBondContact O-CB 3.42Å; Y427-R430 PolarHBondContact O-N 2.98Å; Y427-R430 VanDerWaalsContact O-N 3.14Å; Y427-L431 VanDerWaalsContact O-CG 3.3Å; Y427-L431 WeakPolarHBondContact O-CG 3.24Å; Y427-L431 PolarHBondContact O-N 3.22Å; Y427-F588 HydrophobicContact CD1-CZ 4.46Å; Y427-F588 HydrophobicContact CE1-CE1 4.13Å; Y427-F588 HydrophobicContact CE1-CE2 4.05Å; Y427-F588 AromaticContact CE1-CZ 3.31Å; Y427-F588 HydrophobicContact CE1-CZ 3.31Å; Y427-F588 HydrophobicContact CE2-CE1 4.47Å; Y427-F588 HydrophobicContact CE2-CZ 4.35Å; Y427-F588 AromaticContact CZ-CE1 3.73Å; Y427-F588 AromaticContact CZ-CZ 3.26Å; Y427-F588 VanDerWaalsContact OH-CE1 3.28Å; Y427-F588 WeakPolarHBondContact OH-CE1 3.48Å; Y427-F588 VanDerWaalsContact OH-CE2 3.27Å; Y427-F588 WeakPolarHBondContact OH-CE2 3.13Å; Y427-F588 WeakPolarHBondContact OH-CZ 3.26Å |
| 428 | V | 53.9 | Low | 51.3 | Low | 16 Ų | 16 | 64.3 Ų | 64.3 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 173.7 | 175.6 | 0 | 0 | 0 | 0 | 109.4 | E414 A419 E424 K425 R430 L431 R432 | E414-V428 HydrophobicContact CG-CG1 4.11Å; A419-V428 HydrophobicContact CB-CG2 4.47Å; E424-V428 WeakPolarHBondContact O-CG2 3.39Å; E424-V428 PolarHBondContact O-N 2.69Å; K425-V428 PolarHBondContact O-N 2.69Å; V428-R430 PolarHBondContact O-N 2.88Å; V428-L431 PolarHBondContact O-N 3.48Å; V428-R432 PolarHBondContact O-N 3.26Å |
| 429 | R | 53.8 | Low | 50.7 | Low | 148 Ų | 148 | 56.1 Ų | 56.1 | 56% | 0.558 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -56.6 | -50.4 | 171 | -117.7 | 173.3 | 177.6 | 171.6 | -1.9 | 111.9 | K425 L426 Y427 L431 R432 L433 | K425-R429 WeakPolarHBondContact O-CB 3.48Å; K425-R429 PolarHBondContact O-N 2.96Å; L426-R429 WeakPolarHBondContact O-CB 3.35Å; L426-R429 PolarHBondContact O-N 3.49Å; Y427-R429 VanDerWaalsContact C-N 3.27Å; Y427-R429 PolarHBondContact O-N 3.49Å; R429-L431 PolarHBondContact O-N 2.89Å; R429-R432 WeakPolarHBondContact O-CB 3.34Å; R429-R432 PolarHBondContact O-N 3.19Å; R429-L433 WeakPolarHBondContact O-CD1 3.23Å; R429-L433 WeakPolarHBondContact O-CG 3.19Å; R429-L433 PolarHBondContact O-N 3.13Å |
| 430 | R | 47 | Very low | 50.3 | Low | 31 Ų | 31 | 61.7 Ų | 61.7 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -50.3 | -43.4 | 175.2 | -73.9 | 167.2 | -157.2 | -162.5 | -0.4 | 111.9 | L426 Y427 V428 L433 F434 F466 | L426-R430 VanDerWaalsContact O-CG 3.28Å; L426-R430 WeakPolarHBondContact O-CG 3.08Å; L426-R430 PolarHBondContact O-N 2.95Å; Y427-R430 VanDerWaalsContact O-CB 3.31Å; Y427-R430 WeakPolarHBondContact O-CB 3.42Å; Y427-R430 PolarHBondContact O-N 2.98Å; Y427-R430 VanDerWaalsContact O-N 3.14Å; V428-R430 PolarHBondContact O-N 2.88Å; R430-L433 WeakPolarHBondContact O-CB 3.29Å; R430-L433 PolarHBondContact O-N 2.97Å; R430-F434 WeakPolarHBondContact O-CD2 3.23Å; R430-F434 PolarHBondContact O-N 3.25Å; R430-F434 VanDerWaalsContact O-N 3.08Å; R430-F466 HydrophobicContact CG-CD2 3.84Å; R430-F466 HydrophobicContact CG-CE2 3.28Å; R430-F466 HydrophobicContact CG-CZ 4.36Å; R430-F466 VanDerWaalsContact NE-CE2 3.34Å |
| 431 | L | 49.1 | Very low | 50.1 | Low | 18 Ų | 18 | 57.7 Ų | 57.7 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -81.1 | -32.8 | -173.8 | -64.8 | 165.9 | 0 | 0 | 0 | 111.4 | Y390 Q391 I394 Y427 V428 R429 L433 F434 G435 | Y390-L431 HydrophobicContact CD1-CB 4.35Å; Y390-L431 HydrophobicContact CD1-CD1 3.21Å; Y390-L431 HydrophobicContact CD1-CG 4.33Å; Y390-L431 HydrophobicContact CE1-CB 3.37Å; Y390-L431 HydrophobicContact CE1-CD1 3.13Å; Y390-L431 HydrophobicContact CE1-CG 3.8Å; Y390-L431 HydrophobicContact CG-CD1 4.32Å; Q391-L431 HydrophobicContact CG-CD1 4.26Å; I394-L431 HydrophobicContact CD1-CB 4.03Å; I394-L431 HydrophobicContact CD1-CD1 4.37Å; I394-L431 HydrophobicContact CD1-CD2 3.66Å; I394-L431 HydrophobicContact CD1-CG 4.2Å; Y427-L431 VanDerWaalsContact O-CG 3.3Å; Y427-L431 WeakPolarHBondContact O-CG 3.24Å; Y427-L431 PolarHBondContact O-N 3.22Å; V428-L431 PolarHBondContact O-N 3.48Å; R429-L431 PolarHBondContact O-N 2.89Å; L431-L433 VanDerWaalsContact C-N 3.29Å; L431-L433 PolarHBondContact O-N 3.12Å; L431-F434 WeakPolarHBondContact O-CB 3.26Å; L431-F434 PolarHBondContact O-N 3.09Å; L431-F434 VanDerWaalsContact O-N 3.16Å; L431-G435 PolarHBondContact O-N 3.11Å |
| 432 | R | 51.4 | Low | 50.1 | Low | 118 Ų | 118 | 57.1 Ų | 57.1 | 45% | 0.445 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 166.2 | -158.2 | -159.7 | -160.4 | 137.3 | 3 | 111.1 | I410 E414 V428 R429 F434 G435 G436 | I410-R432 HydrophobicContact CG2-CB 4.44Å; I410-R432 HydrophobicContact CG2-CG 4.07Å; E414-R432 WeakPolarHBondContact OE1-CD 3.45Å; E414-R432 WeakPolarHBondContact OE1-CG 3.44Å; E414-R432 IonicContact OE1-CZ 2.88Å; E414-R432 IonicContact OE1-NE 2.81Å; E414-R432 PolarHBondContact OE1-NE 2.97Å; E414-R432 IonicContact OE1-NH1 3.65Å; E414-R432 PolarHBondContact OE1-NH1 3.09Å; E414-R432 IonicContact OE1-NH2 3.81Å; E414-R432 IonicContact OE2-CZ 3.66Å; E414-R432 IonicContact OE2-NE 3.27Å; E414-R432 PolarHBondContact OE2-NE 2.78Å; E414-R432 IonicContact OE2-NH1 3.93Å; E414-R432 PolarHBondContact OE2-NH1 3.25Å; E414-R432 IonicContact OE2-NH2 2.85Å; E414-R432 PolarHBondContact OE2-NH2 2.97Å; V428-R432 PolarHBondContact O-N 3.26Å; R429-R432 WeakPolarHBondContact O-CB 3.34Å; R429-R432 PolarHBondContact O-N 3.19Å; R432-F434 VanDerWaalsContact C-N 3.32Å; R432-F434 PolarHBondContact O-N 3.46Å; R432-G435 PolarHBondContact O-N 3.28Å; R432-G436 PolarHBondContact O-N 2.95Å |
| 433 | L | 48.8 | Very low | 50.2 | Low | 16 Ų | 16 | 54.4 Ų | 54.4 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59 | -45 | 174.6 | -62.4 | 158.7 | 0 | 0 | 0 | 109.6 | R429 R430 L431 L437 V448 I452 L474 | R429-L433 WeakPolarHBondContact O-CD1 3.23Å; R429-L433 WeakPolarHBondContact O-CG 3.19Å; R429-L433 PolarHBondContact O-N 3.13Å; R430-L433 WeakPolarHBondContact O-CB 3.29Å; R430-L433 PolarHBondContact O-N 2.97Å; L431-L433 VanDerWaalsContact C-N 3.29Å; L431-L433 PolarHBondContact O-N 3.12Å; L433-L437 WeakPolarHBondContact O-CD1 3.25Å; L433-L437 WeakPolarHBondContact O-CG 3.32Å; L433-L437 PolarHBondContact O-N 3.09Å; L433-V448 HydrophobicContact CB-CG1 4.36Å; L433-V448 HydrophobicContact CD2-CB 3.64Å; L433-V448 HydrophobicContact CD2-CG1 3.24Å; L433-V448 HydrophobicContact CD2-CG2 3.51Å; L433-V448 HydrophobicContact CG-CG1 4.36Å; L433-I452 HydrophobicContact CD1-CD1 3.67Å; L433-I452 HydrophobicContact CD1-CG1 3.75Å; L433-I452 HydrophobicContact CD2-CD1 4.02Å; L433-I452 HydrophobicContact CD2-CG1 4.23Å; L433-I452 HydrophobicContact CG-CD1 4.34Å; L433-L474 HydrophobicContact CB-CD1 4.08Å |
| 434 | F | 47.4 | Very low | 50.4 | Low | 45 Ų | 45 | 55.1 Ų | 55.1 | 20% | 0.197 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 172.9 | -94.5 | -79.1 | 0 | 0 | 0 | 114.5 | R430 L431 R432 H473 H477 | R430-F434 WeakPolarHBondContact O-CD2 3.23Å; R430-F434 PolarHBondContact O-N 3.25Å; R430-F434 VanDerWaalsContact O-N 3.08Å; L431-F434 WeakPolarHBondContact O-CB 3.26Å; L431-F434 PolarHBondContact O-N 3.09Å; L431-F434 VanDerWaalsContact O-N 3.16Å; R432-F434 VanDerWaalsContact C-N 3.32Å; R432-F434 PolarHBondContact O-N 3.46Å; F434-H473 HydrophobicContact CE1-CB 4.46Å; F434-H473 HydrophobicContact CE2-CB 3.36Å; F434-H473 AromaticContact CE2-CG 3.64Å; F434-H473 HydrophobicContact CZ-CB 3.28Å; F434-H473 AromaticContact CZ-CG 3.58Å; F434-H473 AromaticContact CZ-ND1 3.6Å; F434-H477 HydrophobicContact CD1-CB 3.96Å; F434-H477 AromaticContact CD1-CD2 3.59Å; F434-H477 AromaticContact CD1-CG 3.92Å; F434-H477 HydrophobicContact CE1-CB 3.72Å; F434-H477 AromaticContact CE1-CD2 4Å |
| 435 | G | 49.4 | Very low | 50.5 | Low | 4 Ų | 4 | 52.3 Ų | 52.3 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -53.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | L431 R432 L437 C438 | L431-G435 PolarHBondContact O-N 3.11Å; R432-G435 PolarHBondContact O-N 3.28Å; G435-L437 PolarHBondContact O-N 3.38Å; G435-C438 VanDerWaalsContact O-CB 3.23Å; G435-C438 WeakPolarHBondContact O-CB 3.24Å; G435-C438 PolarHBondContact O-N 3.32Å |
| 436 | G | 48.7 | Very low | 50.7 | Low | 22 Ų | 22 | 52.8 Ų | 52.8 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.3 | -24.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R432 C438 A439 | R432-G436 PolarHBondContact O-N 2.95Å; G436-C438 PolarHBondContact O-N 3.31Å; G436-A439 WeakPolarHBondContact O-CA 3.49Å; G436-A439 WeakPolarHBondContact O-CB 3.48Å; G436-A439 PolarHBondContact O-N 2.55Å |
| 437 | L | 46.2 | Very low | 51.1 | Low | 19 Ų | 19 | 57.4 Ų | 57.4 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -15.3 | 173 | -69.1 | 163.5 | 0 | 0 | 0 | 114.4 | L433 G435 F445 L474 H477 | L433-L437 WeakPolarHBondContact O-CD1 3.25Å; L433-L437 WeakPolarHBondContact O-CG 3.32Å; L433-L437 PolarHBondContact O-N 3.09Å; G435-L437 PolarHBondContact O-N 3.38Å; L437-F445 HydrophobicContact CD2-CD2 3.05Å; L437-F445 HydrophobicContact CD2-CE2 3.14Å; L437-F445 HydrophobicContact CD2-CG 4.31Å; L437-F445 HydrophobicContact CD2-CZ 4.47Å; L437-F445 HydrophobicContact CG-CD2 4.45Å; L437-L474 HydrophobicContact CD1-CD1 3.63Å; L437-L474 HydrophobicContact CD1-CD2 4.46Å; L437-L474 HydrophobicContact CD1-CG 3.57Å; L437-L474 HydrophobicContact CD2-CG 4.45Å; L437-H477 VanDerWaalsContact CB-CE1 3.48Å; L437-H477 WeakPolarHBondContact CB-CE1 3.28Å; L437-H477 WeakPolarHBondContact CB-ND1 3.31Å; L437-H477 HydrophobicContact CD1-CB 4.43Å |
| 438 | C | 45 | Very low | 51.3 | Low | 24 Ų | 24 | 56.3 Ų | 56.3 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -18.2 | 167.8 | -64.5 | 0 | 0 | 0 | 0 | 111.5 | G435 G436 K481 | G435-C438 VanDerWaalsContact O-CB 3.23Å; G435-C438 WeakPolarHBondContact O-CB 3.24Å; G435-C438 PolarHBondContact O-N 3.32Å; G436-C438 PolarHBondContact O-N 3.31Å; C438-K481 PolarHBondContact SG-NZ 3.2Å |
| 439 | A | 42.7 | Very low | 51.5 | Low | 41 Ų | 41 | 55.5 Ų | 55.5 | 34% | 0.339 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -78.1 | 137.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G436 D441 | G436-A439 WeakPolarHBondContact O-CA 3.49Å; G436-A439 WeakPolarHBondContact O-CB 3.48Å; G436-A439 PolarHBondContact O-N 2.55Å; A439-D441 PolarHBondContact O-N 2.92Å |
| 440 | K | 48.3 | Very low | 52 | Low | 142 Ų | 142 | 51.4 Ų | 51.4 | 62% | 0.617 | 27% | 0.267 | S | S | * | . | trans | -69.1 | 1.9 | 176.5 | -70.2 | 180 | 177.8 | 175.3 | 0 | 113.7 | V442 | K440-V442 PolarHBondContact O-N 2.92Š| ||
| 441 | D | 52.6 | Low | 52.4 | Low | 83 Ų | 83 | 53 Ų | 53 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | trans | -79.9 | 107.8 | -171.1 | -161.1 | -22.7 | 0 | 0 | 0 | 111.7 | A439 S443 L444 F445 | A439-D441 PolarHBondContact O-N 2.92Å; D441-S443 VanDerWaalsContact CG-OG 3.27Å; D441-S443 PolarHBondContact O-N 3.45Å; D441-S443 WeakPolarHBondContact OD1-CB 3.37Å; D441-S443 PolarHBondContact OD1-N 3.4Å; D441-S443 PolarHBondContact OD1-OG 3.4Å; D441-S443 PolarHBondContact OD2-OG 3.47Å; D441-L444 HydrophobicContact CB-CB 4.15Å; D441-F445 PolarHBondContact O-N 3.21Å | ||
| 442 | V | 54.6 | Low | 52.6 | Low | 56 Ų | 56 | 52.3 Ų | 52.3 | 34% | 0.339 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.9 | -28.3 | 178.7 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | K440 F445 K446 T485 N488 | K440-V442 PolarHBondContact O-N 2.92Å; V442-F445 WeakPolarHBondContact O-CB 3.26Å; V442-F445 PolarHBondContact O-N 3.43Å; V442-K446 PolarHBondContact O-N 3.38Å; V442-T485 HydrophobicContact CG2-CG2 4.18Å; V442-T485 WeakPolarHBondContact CG2-OG1 3.38Å; V442-N488 WeakPolarHBondContact CA-OD1 3.1Å; V442-N488 WeakPolarHBondContact CG1-OD1 3.23Å; V442-N488 WeakPolarHBondContact CG2-OD1 3.25Å |
| 443 | S | 58.2 | Low | 52.9 | Low | 76 Ų | 76 | 48.2 Ų | 48.2 | 53% | 0.531 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.2 | -47.5 | -179.5 | 70.3 | 0 | 0 | 0 | 0 | 111.2 | D441 F445 K446 E447 | D441-S443 VanDerWaalsContact CG-OG 3.27Å; D441-S443 PolarHBondContact O-N 3.45Å; D441-S443 WeakPolarHBondContact OD1-CB 3.37Å; D441-S443 PolarHBondContact OD1-N 3.4Å; D441-S443 PolarHBondContact OD1-OG 3.4Å; D441-S443 PolarHBondContact OD2-OG 3.47Å; S443-F445 VanDerWaalsContact C-N 3.26Å; S443-F445 PolarHBondContact O-N 3.23Å; S443-K446 WeakPolarHBondContact O-CB 3.45Å; S443-K446 PolarHBondContact O-N 3.21Å; S443-K446 VanDerWaalsContact O-N 3.14Å; S443-E447 PolarHBondContact O-N 3.09Å |
| 444 | L | 53 | Low | 53.3 | Low | 67 Ų | 67 | 53.2 Ų | 53.2 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 173.7 | -158 | 83.8 | 0 | 0 | 0 | 110.6 | D441 K446 E447 V448 | D441-L444 HydrophobicContact CB-CB 4.15Å; L444-K446 PolarHBondContact O-N 2.89Å; L444-E447 PolarHBondContact O-N 3.44Å; L444-V448 VanDerWaalsContact O-CB 3.29Å; L444-V448 WeakPolarHBondContact O-CB 3.33Å; L444-V448 WeakPolarHBondContact O-CG2 3.14Å; L444-V448 PolarHBondContact O-N 3.43Å |
| 445 | F | 54.2 | Low | 53.2 | Low | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 176.8 | -177.6 | -109.8 | 0 | 0 | 0 | 113.6 | L437 D441 V442 S443 V448 L449 L474 N488 L491 L492 | L437-F445 HydrophobicContact CD2-CD2 3.05Å; L437-F445 HydrophobicContact CD2-CE2 3.14Å; L437-F445 HydrophobicContact CD2-CG 4.31Å; L437-F445 HydrophobicContact CD2-CZ 4.47Å; L437-F445 HydrophobicContact CG-CD2 4.45Å; D441-F445 PolarHBondContact O-N 3.21Å; V442-F445 WeakPolarHBondContact O-CB 3.26Å; V442-F445 PolarHBondContact O-N 3.43Å; S443-F445 VanDerWaalsContact C-N 3.26Å; S443-F445 PolarHBondContact O-N 3.23Å; F445-V448 WeakPolarHBondContact O-CB 3.37Å; F445-V448 PolarHBondContact O-N 2.89Å; F445-L449 HydrophobicContact CD1-CD1 3.9Å; F445-L449 HydrophobicContact CE1-CD1 3.25Å; F445-L449 HydrophobicContact CE1-CG 4.22Å; F445-L449 HydrophobicContact CE2-CD1 4.28Å; F445-L449 HydrophobicContact CE2-CG 4.46Å; F445-L449 HydrophobicContact CZ-CD1 3.53Å; F445-L449 HydrophobicContact CZ-CG 4.14Å; F445-L449 PolarHBondContact O-N 3.15Å; F445-L474 HydrophobicContact CE2-CD2 3.77Å; F445-L474 HydrophobicContact CZ-CD2 4.31Å; F445-N488 HydrophobicContact CD1-CB 3.61Å; F445-N488 VanDerWaalsContact CD1-CG 3.45Å; F445-N488 WeakPolarHBondContact CD1-OD1 3.19Å; F445-N488 VanDerWaalsContact CE1-CA 3.48Å; F445-N488 HydrophobicContact CE1-CB 3.55Å; F445-N488 WeakPolarHBondContact CE1-O 3.35Å; F445-N488 HydrophobicContact CG-CB 4.19Å; F445-N488 HydrophobicContact CZ-CB 4.07Å; F445-L491 HydrophobicContact CD1-CB 4.25Å; F445-L491 HydrophobicContact CD1-CD2 3.93Å; F445-L491 HydrophobicContact CE1-CB 3.95Å; F445-L491 HydrophobicContact CE1-CD2 4.31Å; F445-L492 HydrophobicContact CE1-CB 4.34Å; F445-L492 HydrophobicContact CE1-CD1 4.5Å; F445-L492 HydrophobicContact CE1-CG 4.32Å; F445-L492 HydrophobicContact CE2-CD1 4.02Å; F445-L492 HydrophobicContact CE2-CG 4.39Å; F445-L492 HydrophobicContact CZ-CB 3.97Å; F445-L492 HydrophobicContact CZ-CD1 3.42Å; F445-L492 VanDerWaalsContact CZ-CD1 3.42Å; F445-L492 HydrophobicContact CZ-CG 3.54Å |
| 446 | K | 61.6 | Low | 53 | Low | 107 Ų | 107 | 60 Ų | 60 | 47% | 0.465 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 174.5 | -177.5 | 164 | -177.3 | -168.8 | 0 | 111.5 | V442 S443 L444 V448 L449 D450 L491 | V442-K446 PolarHBondContact O-N 3.38Å; S443-K446 WeakPolarHBondContact O-CB 3.45Å; S443-K446 PolarHBondContact O-N 3.21Å; S443-K446 VanDerWaalsContact O-N 3.14Å; L444-K446 PolarHBondContact O-N 2.89Å; K446-V448 VanDerWaalsContact C-N 3.26Å; K446-V448 PolarHBondContact O-N 2.75Å; K446-L449 PolarHBondContact O-N 3.25Å; K446-L449 VanDerWaalsContact O-N 3.17Å; K446-D450 WeakPolarHBondContact O-CB 3Å; K446-D450 PolarHBondContact O-N 3.34Å; K446-L491 HydrophobicContact CB-CD2 3.37Å; K446-L491 HydrophobicContact CD-CD1 4.44Å; K446-L491 HydrophobicContact CD-CD2 4.12Å; K446-L491 HydrophobicContact CG-CD2 3.66Å |
| 447 | E | 58.4 | Low | 52.7 | Low | 124 Ų | 124 | 66.1 Ų | 66.1 | 58% | 0.579 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59 | -40.6 | 177.9 | -166.3 | 178.3 | -164.8 | 0 | 0 | 111.4 | S443 L444 D450 T451 | S443-E447 PolarHBondContact O-N 3.09Å; L444-E447 PolarHBondContact O-N 3.44Å; E447-D450 PolarHBondContact O-N 3.11Å; E447-T451 WeakPolarHBondContact O-CB 3.19Å; E447-T451 PolarHBondContact O-N 3.19Å; E447-T451 PolarHBondContact O-OG1 3.45Å |
| 448 | V | 53.9 | Low | 52.6 | Low | 19 Ų | 19 | 74.1 Ų | 74.1 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.5 | -51 | 172.7 | 150.6 | 0 | 0 | 0 | 0 | 112.1 | L433 L444 F445 K446 T451 I452 L474 | L433-V448 HydrophobicContact CB-CG1 4.36Å; L433-V448 HydrophobicContact CD2-CB 3.64Å; L433-V448 HydrophobicContact CD2-CG1 3.24Å; L433-V448 HydrophobicContact CD2-CG2 3.51Å; L433-V448 HydrophobicContact CG-CG1 4.36Å; L444-V448 VanDerWaalsContact O-CB 3.29Å; L444-V448 WeakPolarHBondContact O-CB 3.33Å; L444-V448 WeakPolarHBondContact O-CG2 3.14Å; L444-V448 PolarHBondContact O-N 3.43Å; F445-V448 WeakPolarHBondContact O-CB 3.37Å; F445-V448 PolarHBondContact O-N 2.89Å; K446-V448 VanDerWaalsContact C-N 3.26Å; K446-V448 PolarHBondContact O-N 2.75Å; V448-T451 PolarHBondContact O-N 2.92Å; V448-I452 HydrophobicContact CG1-CD1 4.35Å; V448-I452 WeakPolarHBondContact O-CG1 3.42Å; V448-I452 PolarHBondContact O-N 2.9Å; V448-I452 VanDerWaalsContact O-N 3.09Å; V448-L474 HydrophobicContact CG1-CD1 4.35Å; V448-L474 HydrophobicContact CG1-CD2 4.21Å |
| 449 | L | 57.7 | Low | 52.5 | Low | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 177.9 | -86.4 | 170.4 | 0 | 0 | 0 | 112 | F445 K446 T451 I452 S453 L471 L474 L491 L492 | F445-L449 HydrophobicContact CD1-CD1 3.9Å; F445-L449 HydrophobicContact CE1-CD1 3.25Å; F445-L449 HydrophobicContact CE1-CG 4.22Å; F445-L449 HydrophobicContact CE2-CD1 4.28Å; F445-L449 HydrophobicContact CE2-CG 4.46Å; F445-L449 HydrophobicContact CZ-CD1 3.53Å; F445-L449 HydrophobicContact CZ-CG 4.14Å; F445-L449 PolarHBondContact O-N 3.15Å; K446-L449 PolarHBondContact O-N 3.25Å; K446-L449 VanDerWaalsContact O-N 3.17Å; L449-T451 VanDerWaalsContact C-N 3.31Å; L449-T451 PolarHBondContact O-N 3.1Å; L449-I452 PolarHBondContact O-N 3.39Å; L449-S453 WeakPolarHBondContact O-CB 3.41Å; L449-S453 PolarHBondContact O-N 3.28Å; L449-S453 PolarHBondContact O-OG 3.07Å; L449-L471 HydrophobicContact CD2-CD2 3.73Å; L449-L474 HydrophobicContact CD2-CD2 3.82Å; L449-L474 HydrophobicContact CG-CD2 4.15Å; L449-L491 HydrophobicContact CD1-CB 4.05Å; L449-L491 HydrophobicContact CD1-CD2 4.02Å; L449-L491 HydrophobicContact CD1-CG 4.26Å; L449-L492 HydrophobicContact CD1-CB 4.28Å; L449-L492 HydrophobicContact CD1-CG 4.1Å; L449-L492 HydrophobicContact CD2-CD2 3.94Å; L449-L492 HydrophobicContact CD2-CG 4.02Å |
| 450 | D | 63.2 | Low | 52.5 | Low | 61 Ų | 61 | 78.8 Ų | 78.8 | 33% | 0.326 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 177.7 | -74.8 | -18.5 | 0 | 0 | 0 | 110.3 | K446 E447 I452 S453 N454 | K446-D450 WeakPolarHBondContact O-CB 3Å; K446-D450 PolarHBondContact O-N 3.34Å; E447-D450 PolarHBondContact O-N 3.11Å; D450-I452 PolarHBondContact O-N 2.68Å; D450-S453 PolarHBondContact O-N 3.18Å; D450-N454 WeakPolarHBondContact O-CB 3.38Å; D450-N454 PolarHBondContact O-N 3.23Å; D450-N454 PolarHBondContact O-ND2 2.71Å; D450-N454 VanDerWaalsContact O-ND2 3.11Å |
| 451 | T | 55.2 | Low | 52.4 | Low | 66 Ų | 66 | 76.1 Ų | 76.1 | 41% | 0.405 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.1 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | E447 V448 L449 | E447-T451 WeakPolarHBondContact O-CB 3.19Å; E447-T451 PolarHBondContact O-N 3.19Å; E447-T451 PolarHBondContact O-OG1 3.45Å; V448-T451 PolarHBondContact O-N 2.92Å; L449-T451 VanDerWaalsContact C-N 3.31Å; L449-T451 PolarHBondContact O-N 3.1Å |
| 452 | I | 53.8 | Low | 52 | Low | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.01 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -71 | -38.6 | 177 | -61.7 | 166.2 | 0 | 0 | 0 | 110.9 | L433 V448 L449 D450 R467 A470 L471 L474 | L433-I452 HydrophobicContact CD1-CD1 3.67Å; L433-I452 HydrophobicContact CD1-CG1 3.75Å; L433-I452 HydrophobicContact CD2-CD1 4.02Å; L433-I452 HydrophobicContact CD2-CG1 4.23Å; L433-I452 HydrophobicContact CG-CD1 4.34Å; V448-I452 HydrophobicContact CG1-CD1 4.35Å; V448-I452 WeakPolarHBondContact O-CG1 3.42Å; V448-I452 PolarHBondContact O-N 2.9Å; V448-I452 VanDerWaalsContact O-N 3.09Å; L449-I452 PolarHBondContact O-N 3.39Å; D450-I452 PolarHBondContact O-N 2.68Å; I452-R467 HydrophobicContact CG2-CG 3.89Å; I452-A470 HydrophobicContact CD1-CB 4.31Å; I452-A470 HydrophobicContact CG2-CB 4.4Å; I452-L471 HydrophobicContact CG2-CD1 4.25Å; I452-L471 HydrophobicContact CG2-CD2 4.08Å; I452-L471 HydrophobicContact CG2-CG 3.89Å; I452-L474 HydrophobicContact CD1-CD1 4.01Å |
| 453 | S | 57.5 | Low | 51.4 | Low | 32 Ų | 32 | 76.3 Ų | 76.3 | 22% | 0.224 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -79.4 | -31.4 | -172.9 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | L449 D450 C455 | L449-S453 WeakPolarHBondContact O-CB 3.41Å; L449-S453 PolarHBondContact O-N 3.28Å; L449-S453 PolarHBondContact O-OG 3.07Å; D450-S453 PolarHBondContact O-N 3.18Å; S453-C455 VanDerWaalsContact C-N 3.29Å; S453-C455 PolarHBondContact O-N 2.98Å |
| 454 | N | 56.7 | Low | 50.9 | Low | 121 Ų | 121 | 76 Ų | 76 | 65% | 0.647 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 6.3 | -176.1 | -70.1 | -27.8 | 0 | 0 | 0 | 114.8 | D450 K456 | D450-N454 WeakPolarHBondContact O-CB 3.38Å; D450-N454 PolarHBondContact O-N 3.23Å; D450-N454 PolarHBondContact O-ND2 2.71Å; D450-N454 VanDerWaalsContact O-ND2 3.11Å; N454-K456 PolarHBondContact O-N 3.43Å |
| 455 | C | 46.3 | Very low | 50.4 | Low | 36 Ų | 36 | 74.4 Ų | 74.4 | 24% | 0.243 | 40% | 0.399 | C | S | . | . | trans | -63.8 | 121.3 | 169.1 | -67.7 | 0 | 0 | 0 | 0 | 109.1 | S453 | S453-C455 VanDerWaalsContact C-N 3.29Å; S453-C455 PolarHBondContact O-N 2.98Å | ||
| 456 | K | 45.4 | Very low | 49.9 | Very low | 155 Ų | 155 | 74.5 Ų | 74.5 | 67% | 0.674 | 40% | 0.4 | S | S | * | . | trans | -72.1 | 147 | -174.9 | -70.7 | -175.5 | 178.8 | -178.6 | 0 | 111 | N454 E458 E459 | N454-K456 PolarHBondContact O-N 3.43Å; K456-E458 PolarHBondContact O-N 3.42Å; K456-E458 VanDerWaalsContact O-N 3.08Å; K456-E459 PolarHBondContact O-N 2.84Å | ||
| 457 | L | 42.3 | Very low | 49.3 | Very low | 151 Ų | 151 | 72.6 Ų | 72.6 | 79% | 0.791 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -20.8 | 178.7 | -95.3 | 144.8 | 0 | 0 | 0 | 114.7 | E459 L464 | L457-E459 PolarHBondContact O-N 2.92Å; L457-L464 HydrophobicContact CD2-CD1 4.46Å |
| 458 | E | 44.7 | Very low | 48.8 | Very low | 188 Ų | 188 | 69.7 Ų | 69.7 | 88% | 0.879 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -0.4 | -179.4 | -67.1 | 176.9 | 166.6 | 0 | 0 | 113.5 | K456 | K456-E458 PolarHBondContact O-N 3.42Å; K456-E458 VanDerWaalsContact O-N 3.08Å |
| 459 | E | 41.9 | Very low | 48.3 | Very low | 88 Ų | 88 | 70.3 Ų | 70.3 | 41% | 0.411 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -87.3 | 153.5 | 178.4 | -68.3 | -179.9 | 174.6 | 0 | 0 | 113.3 | K456 L457 L463 | K456-E459 PolarHBondContact O-N 2.84Å; L457-E459 PolarHBondContact O-N 2.92Å; E459-L463 HydrophobicContact CB-CB 4.34Å; E459-L463 HydrophobicContact CB-CD1 3.95Å |
| 460 | S | 43.2 | Very low | 47.8 | Very low | 74 Ų | 74 | 70.5 Ų | 70.5 | 52% | 0.517 | 38% | 0.381 | S | S | . | . | trans | -51.3 | 148.4 | -172.7 | 69.5 | 0 | 0 | 0 | 0 | 114.1 | D462 L463 | S460-D462 PolarHBondContact O-N 3.12Å; S460-L463 WeakPolarHBondContact O-CB 3.42Å; S460-L463 PolarHBondContact O-N 3.03Å | ||
| 461 | A | 46.8 | Very low | 47.1 | Very low | 86 Ų | 86 | 67.6 Ų | 67.6 | 71% | 0.711 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -52.7 | -28.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L463 L464 S465 | A461-L463 VanDerWaalsContact C-N 3.29Å; A461-L463 PolarHBondContact O-N 3.02Å; A461-L464 PolarHBondContact O-N 3.38Å; A461-S465 PolarHBondContact O-N 3.31Å; A461-S465 VanDerWaalsContact O-N 3.17Å |
| 462 | D | 44.3 | Very low | 46.6 | Very low | 96 Ų | 96 | 67.9 Ų | 67.9 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63 | -32 | 174.7 | -80.2 | -39.1 | 0 | 0 | 0 | 112.4 | S460 F466 K591 | S460-D462 PolarHBondContact O-N 3.12Å; D462-F466 WeakPolarHBondContact O-CB 3.22Å; D462-F466 PolarHBondContact O-N 2.94Å; D462-K591 IonicContact OD1-NZ 3.67Å; D462-K591 PolarHBondContact OD1-NZ 2.97Å; D462-K591 IonicContact OD2-NZ 3.87Å |
| 463 | L | 41.8 | Very low | 46.2 | Very low | 47 Ų | 47 | 72.4 Ų | 72.4 | 25% | 0.246 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -75.4 | -32.5 | 177 | -93.1 | 144 | 0 | 0 | 0 | 112.9 | L426 E459 S460 A461 F466 R467 | L426-L463 HydrophobicContact CD1-CD2 4.29Å; E459-L463 HydrophobicContact CB-CB 4.34Å; E459-L463 HydrophobicContact CB-CD1 3.95Å; S460-L463 WeakPolarHBondContact O-CB 3.42Å; S460-L463 PolarHBondContact O-N 3.03Å; A461-L463 VanDerWaalsContact C-N 3.29Å; A461-L463 PolarHBondContact O-N 3.02Å; L463-F466 HydrophobicContact CD2-CD1 4.11Å; L463-F466 VanDerWaalsContact O-CB 3.26Å; L463-F466 WeakPolarHBondContact O-CB 3.28Å; L463-F466 PolarHBondContact O-N 3.44Å; L463-R467 PolarHBondContact O-N 3.25Å |
| 464 | L | 45.9 | Very low | 45.7 | Very low | 69 Ų | 69 | 71 Ų | 71 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -73.3 | -41 | 176.9 | -135.1 | 122.6 | 0 | 0 | 0 | 111.4 | L457 A461 F466 R467 N468 | L457-L464 HydrophobicContact CD2-CD1 4.46Å; A461-L464 PolarHBondContact O-N 3.38Å; L464-F466 VanDerWaalsContact C-N 3.27Å; L464-F466 PolarHBondContact O-N 2.84Å; L464-R467 PolarHBondContact O-N 3.12Å; L464-N468 PolarHBondContact O-N 3.32Å |
| 465 | S | 44.4 | Very low | 45.3 | Very low | 35 Ų | 35 | 65.5 Ų | 65.5 | 25% | 0.245 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.2 | -41.1 | 169.3 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | A461 K469 | A461-S465 PolarHBondContact O-N 3.31Å; A461-S465 VanDerWaalsContact O-N 3.17Å; S465-K469 WeakPolarHBondContact O-CB 3.49Å; S465-K469 VanDerWaalsContact O-CG 3.27Å; S465-K469 WeakPolarHBondContact O-CG 3.43Å; S465-K469 PolarHBondContact O-N 3.35Å; S465-K469 WeakPolarHBondContact OG-CE 3.31Å |
| 466 | F | 43.5 | Very low | 45.1 | Very low | 8 Ų | 8 | 67.2 Ų | 67.2 | 4% | 0.035 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.5 | -51.4 | 171.5 | 161.6 | -120.3 | 0 | 0 | 0 | 113.4 | L426 R430 D462 L463 L464 N468 K469 A470 | L426-F466 HydrophobicContact CD1-CD1 3.47Å; L426-F466 VanDerWaalsContact CD1-CD1 3.47Å; L426-F466 HydrophobicContact CD1-CD2 4.21Å; L426-F466 HydrophobicContact CD1-CE1 3.26Å; L426-F466 HydrophobicContact CD1-CE2 4.03Å; L426-F466 HydrophobicContact CD1-CG 3.9Å; L426-F466 HydrophobicContact CD1-CZ 3.52Å; L426-F466 HydrophobicContact CD2-CB 3.63Å; L426-F466 HydrophobicContact CD2-CD1 3.82Å; L426-F466 HydrophobicContact CD2-CD2 3.96Å; L426-F466 HydrophobicContact CD2-CE1 4.43Å; L426-F466 HydrophobicContact CD2-CG 3.48Å; L426-F466 VanDerWaalsContact CD2-CG 3.48Å; L426-F466 HydrophobicContact CG-CB 4.35Å; L426-F466 HydrophobicContact CG-CD1 3.8Å; L426-F466 HydrophobicContact CG-CD2 3.74Å; L426-F466 HydrophobicContact CG-CE1 3.9Å; L426-F466 HydrophobicContact CG-CE2 3.83Å; L426-F466 HydrophobicContact CG-CG 3.65Å; L426-F466 HydrophobicContact CG-CZ 3.87Å; R430-F466 HydrophobicContact CG-CD2 3.84Å; R430-F466 HydrophobicContact CG-CE2 3.28Å; R430-F466 HydrophobicContact CG-CZ 4.36Å; R430-F466 VanDerWaalsContact NE-CE2 3.34Å; D462-F466 WeakPolarHBondContact O-CB 3.22Å; D462-F466 PolarHBondContact O-N 2.94Å; L463-F466 HydrophobicContact CD2-CD1 4.11Å; L463-F466 VanDerWaalsContact O-CB 3.26Å; L463-F466 WeakPolarHBondContact O-CB 3.28Å; L463-F466 PolarHBondContact O-N 3.44Å; L464-F466 VanDerWaalsContact C-N 3.27Å; L464-F466 PolarHBondContact O-N 2.84Å; F466-N468 VanDerWaalsContact C-N 3.29Å; F466-N468 PolarHBondContact O-N 3.11Å; F466-K469 PolarHBondContact O-N 3.08Å; F466-A470 HydrophobicContact CD2-CB 4.07Å; F466-A470 HydrophobicContact CE2-CB 3.76Å; F466-A470 HydrophobicContact CZ-CB 4.44Å; F466-A470 VanDerWaalsContact O-CB 3.31Å; F466-A470 WeakPolarHBondContact O-CB 3.49Å; F466-A470 PolarHBondContact O-N 3.34Å |
| 467 | R | 47.6 | Very low | 45.1 | Very low | 66 Ų | 66 | 60.8 Ų | 60.8 | 25% | 0.249 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -52.3 | -49.7 | -179.2 | -171.9 | -176.1 | 75.6 | 173.4 | 5.4 | 111 | I452 L463 L464 A470 L471 | I452-R467 HydrophobicContact CG2-CG 3.89Å; L463-R467 PolarHBondContact O-N 3.25Å; L464-R467 PolarHBondContact O-N 3.12Å; R467-A470 PolarHBondContact O-N 3.04Å; R467-L471 HydrophobicContact CG-CD1 3.81Å; R467-L471 WeakPolarHBondContact O-CB 3.16Å; R467-L471 WeakPolarHBondContact O-CD1 2.89Å; R467-L471 VanDerWaalsContact O-CG 3.24Å; R467-L471 WeakPolarHBondContact O-CG 3.38Å; R467-L471 PolarHBondContact O-N 3.12Å |
| 468 | N | 47.8 | Very low | 45.3 | Very low | 63 Ų | 63 | 53.7 Ų | 53.7 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.8 | -43.4 | -179.4 | -67.6 | -12.2 | 0 | 0 | 0 | 112.2 | L464 F466 A470 L471 C472 | L464-N468 PolarHBondContact O-N 3.32Å; F466-N468 VanDerWaalsContact C-N 3.29Å; F466-N468 PolarHBondContact O-N 3.11Å; N468-A470 PolarHBondContact O-N 3.08Å; N468-L471 PolarHBondContact O-N 3.01Å; N468-C472 WeakPolarHBondContact O-CB 3.48Å; N468-C472 PolarHBondContact O-N 3.07Å |
| 469 | K | 44.2 | Very low | 45.3 | Very low | 32 Ų | 32 | 47 Ų | 47 | 14% | 0.139 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 175.8 | -73.4 | -178.9 | -147.6 | -155.4 | 0 | 111.1 | S465 F466 H473 L584 E587 | S465-K469 WeakPolarHBondContact O-CB 3.49Å; S465-K469 VanDerWaalsContact O-CG 3.27Å; S465-K469 WeakPolarHBondContact O-CG 3.43Å; S465-K469 PolarHBondContact O-N 3.35Å; S465-K469 WeakPolarHBondContact OG-CE 3.31Å; F466-K469 PolarHBondContact O-N 3.08Å; K469-H473 VanDerWaalsContact O-CB 3.29Å; K469-H473 WeakPolarHBondContact O-CB 3.18Å; K469-H473 PolarHBondContact O-CD2 3.43Å; K469-H473 VanDerWaalsContact O-CD2 3.23Å; K469-H473 PolarHBondContact O-N 2.85Å; K469-L584 HydrophobicContact CD-CD2 3.58Å; K469-L584 HydrophobicContact CG-CD2 3.9Å; K469-E587 IonicContact NZ-OE2 3.95Å; K469-E587 PolarHBondContact NZ-OE2 3.18Å |
| 470 | A | 46.8 | Very low | 45.3 | Very low | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.2 | -45.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I452 F466 R467 N468 H473 L474 | I452-A470 HydrophobicContact CD1-CB 4.31Å; I452-A470 HydrophobicContact CG2-CB 4.4Å; F466-A470 HydrophobicContact CD2-CB 4.07Å; F466-A470 HydrophobicContact CE2-CB 3.76Å; F466-A470 HydrophobicContact CZ-CB 4.44Å; F466-A470 VanDerWaalsContact O-CB 3.31Å; F466-A470 WeakPolarHBondContact O-CB 3.49Å; F466-A470 PolarHBondContact O-N 3.34Å; R467-A470 PolarHBondContact O-N 3.04Å; N468-A470 PolarHBondContact O-N 3.08Å; A470-H473 WeakPolarHBondContact O-CB 3.4Å; A470-H473 PolarHBondContact O-N 2.82Å; A470-L474 WeakPolarHBondContact O-CB 3.2Å; A470-L474 PolarHBondContact O-N 3.38Å |
| 471 | L | 48.8 | Very low | 45.1 | Very low | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 178.1 | -70.1 | 167.2 | 0 | 0 | 0 | 112.1 | L449 I452 R467 N468 H473 L474 S475 L492 F496 | L449-L471 HydrophobicContact CD2-CD2 3.73Å; I452-L471 HydrophobicContact CG2-CD1 4.25Å; I452-L471 HydrophobicContact CG2-CD2 4.08Å; I452-L471 HydrophobicContact CG2-CG 3.89Å; R467-L471 HydrophobicContact CG-CD1 3.81Å; R467-L471 WeakPolarHBondContact O-CB 3.16Å; R467-L471 WeakPolarHBondContact O-CD1 2.89Å; R467-L471 VanDerWaalsContact O-CG 3.24Å; R467-L471 WeakPolarHBondContact O-CG 3.38Å; R467-L471 PolarHBondContact O-N 3.12Å; N468-L471 PolarHBondContact O-N 3.01Å; L471-H473 VanDerWaalsContact C-N 3.33Å; L471-H473 PolarHBondContact O-N 3.36Å; L471-L474 PolarHBondContact O-N 3.11Å; L471-S475 VanDerWaalsContact O-CB 3.29Å; L471-S475 WeakPolarHBondContact O-CB 3.26Å; L471-S475 PolarHBondContact O-N 2.78Å; L471-S475 PolarHBondContact O-OG 3.41Å; L471-L492 HydrophobicContact CD2-CD2 4.47Å; L471-F496 HydrophobicContact CB-CD1 4.21Å; L471-F496 HydrophobicContact CB-CD2 4.39Å; L471-F496 HydrophobicContact CB-CG 4.12Å; L471-F496 HydrophobicContact CD1-CB 4Å; L471-F496 HydrophobicContact CD1-CD2 3.33Å; L471-F496 HydrophobicContact CD1-CE2 3.85Å; L471-F496 HydrophobicContact CD1-CG 3.72Å; L471-F496 HydrophobicContact CD2-CB 4.33Å; L471-F496 HydrophobicContact CG-CD2 4.41Å; L471-F496 HydrophobicContact CG-CG 4.39Å |
| 472 | C | 45 | Very low | 44.7 | Very low | 72 Ų | 72 | 49.2 Ų | 49.2 | 49% | 0.486 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 173.2 | -80.6 | 0 | 0 | 0 | 0 | 112.1 | N468 S475 V476 | N468-C472 WeakPolarHBondContact O-CB 3.48Å; N468-C472 PolarHBondContact O-N 3.07Å; C472-S475 VanDerWaalsContact O-CB 3.32Å; C472-S475 WeakPolarHBondContact O-CB 2.97Å; C472-S475 PolarHBondContact O-N 2.92Å; C472-V476 WeakPolarHBondContact O-CG2 3.3Å; C472-V476 PolarHBondContact O-N 3.06Å |
| 473 | H | 44.9 | Very low | 44.6 | Very low | 96 Ų | 96 | 49.8 Ų | 49.8 | 44% | 0.444 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.8 | -46.5 | 177.7 | -94.2 | -43.9 | 0 | 0 | 0 | 112.9 | F434 K469 A470 L471 S475 V476 H477 | F434-H473 HydrophobicContact CE1-CB 4.46Å; F434-H473 HydrophobicContact CE2-CB 3.36Å; F434-H473 AromaticContact CE2-CG 3.64Å; F434-H473 HydrophobicContact CZ-CB 3.28Å; F434-H473 AromaticContact CZ-CG 3.58Å; F434-H473 AromaticContact CZ-ND1 3.6Å; K469-H473 VanDerWaalsContact O-CB 3.29Å; K469-H473 WeakPolarHBondContact O-CB 3.18Å; K469-H473 PolarHBondContact O-CD2 3.43Å; K469-H473 VanDerWaalsContact O-CD2 3.23Å; K469-H473 PolarHBondContact O-N 2.85Å; A470-H473 WeakPolarHBondContact O-CB 3.4Å; A470-H473 PolarHBondContact O-N 2.82Å; L471-H473 VanDerWaalsContact C-N 3.33Å; L471-H473 PolarHBondContact O-N 3.36Å; H473-S475 PolarHBondContact O-N 3.25Å; H473-V476 PolarHBondContact O-N 2.95Å; H473-H477 PolarHBondContact O-N 3.49Å |
| 474 | L | 47.9 | Very low | 44.7 | Very low | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54 | -42.4 | 170.7 | -126.3 | 87.1 | 0 | 0 | 0 | 110.5 | L433 L437 F445 V448 L449 I452 A470 L471 H477 C478 L492 | L433-L474 HydrophobicContact CB-CD1 4.08Å; L437-L474 HydrophobicContact CD1-CD1 3.63Å; L437-L474 HydrophobicContact CD1-CD2 4.46Å; L437-L474 HydrophobicContact CD1-CG 3.57Å; L437-L474 HydrophobicContact CD2-CG 4.45Å; F445-L474 HydrophobicContact CE2-CD2 3.77Å; F445-L474 HydrophobicContact CZ-CD2 4.31Å; V448-L474 HydrophobicContact CG1-CD1 4.35Å; V448-L474 HydrophobicContact CG1-CD2 4.21Å; L449-L474 HydrophobicContact CD2-CD2 3.82Å; L449-L474 HydrophobicContact CG-CD2 4.15Å; I452-L474 HydrophobicContact CD1-CD1 4.01Å; A470-L474 WeakPolarHBondContact O-CB 3.2Å; A470-L474 PolarHBondContact O-N 3.38Å; L471-L474 PolarHBondContact O-N 3.11Å; L474-H477 PolarHBondContact O-N 3.03Å; L474-C478 WeakPolarHBondContact O-CB 3.09Å; L474-C478 PolarHBondContact O-N 3.18Å; L474-C478 PolarHBondContact O-SG 3.44Å; L474-L492 HydrophobicContact CB-CD1 4.46Å; L474-L492 HydrophobicContact CB-CD2 4.49Å; L474-L492 HydrophobicContact CD2-CD1 4.17Å; L474-L492 HydrophobicContact CD2-CD2 4.28Å; L474-L492 HydrophobicContact CD2-CG 4.24Å |
| 475 | S | 47 | Very low | 44.7 | Very low | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | -178.1 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | L471 C472 H473 C479 M499 | L471-S475 VanDerWaalsContact O-CB 3.29Å; L471-S475 WeakPolarHBondContact O-CB 3.26Å; L471-S475 PolarHBondContact O-N 2.78Å; L471-S475 PolarHBondContact O-OG 3.41Å; C472-S475 VanDerWaalsContact O-CB 3.32Å; C472-S475 WeakPolarHBondContact O-CB 2.97Å; C472-S475 PolarHBondContact O-N 2.92Å; H473-S475 PolarHBondContact O-N 3.25Å; S475-C479 VanDerWaalsContact O-CB 3.29Å; S475-C479 WeakPolarHBondContact O-CB 3.44Å; S475-C479 PolarHBondContact O-N 2.96Å; S475-C479 PolarHBondContact O-SG 3.5Å; S475-M499 VanDerWaalsContact OG-CE 3.23Å; S475-M499 WeakPolarHBondContact OG-CE 3.23Å; S475-M499 WeakPolarHBondContact OG-CG 3.25Å |
| 476 | V | 43.4 | Very low | 45.3 | Very low | 73 Ų | 73 | 50.2 Ų | 50.2 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 173.5 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | C472 H473 C479 A480 | C472-V476 WeakPolarHBondContact O-CG2 3.3Å; C472-V476 PolarHBondContact O-N 3.06Å; H473-V476 PolarHBondContact O-N 2.95Å; V476-C479 PolarHBondContact O-N 2.99Å; V476-A480 VanDerWaalsContact O-CB 3.25Å; V476-A480 WeakPolarHBondContact O-CB 3.41Å; V476-A480 PolarHBondContact O-N 3.14Å |
| 477 | H | 45.5 | Very low | 45.8 | Very low | 19 Ų | 19 | 51.6 Ų | 51.6 | 9% | 0.088 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64 | -49.5 | -179.9 | -170.9 | -85.1 | 0 | 0 | 0 | 113.1 | F434 L437 H473 L474 C479 A480 K481 | F434-H477 HydrophobicContact CD1-CB 3.96Å; F434-H477 AromaticContact CD1-CD2 3.59Å; F434-H477 AromaticContact CD1-CG 3.92Å; F434-H477 HydrophobicContact CE1-CB 3.72Å; F434-H477 AromaticContact CE1-CD2 4Å; L437-H477 VanDerWaalsContact CB-CE1 3.48Å; L437-H477 WeakPolarHBondContact CB-CE1 3.28Å; L437-H477 WeakPolarHBondContact CB-ND1 3.31Å; L437-H477 HydrophobicContact CD1-CB 4.43Å; H473-H477 PolarHBondContact O-N 3.49Å; L474-H477 PolarHBondContact O-N 3.03Å; H477-C479 VanDerWaalsContact C-N 3.28Å; H477-C479 PolarHBondContact O-N 3.23Å; H477-A480 PolarHBondContact O-N 2.83Å; H477-A480 VanDerWaalsContact O-N 3.07Å; H477-K481 PolarHBondContact O-N 3.21Å |
| 478 | C | 46.2 | Very low | 46.2 | Very low | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.02 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -33.1 | 178.5 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | L474 C484 L492 | L474-C478 WeakPolarHBondContact O-CB 3.09Å; L474-C478 PolarHBondContact O-N 3.18Å; L474-C478 PolarHBondContact O-SG 3.44Å; C478-C484 HydrophobicContact CB-CB 4.38Å; C478-C484 VanDerWaalsContact CB-SG 3.53Å; C478-C484 WeakPolarHBondContact O-CB 2.83Å; C478-C484 PolarHBondContact SG-SG 2.83Å; C478-L492 HydrophobicContact CB-CD1 3.61Å; C478-L492 WeakPolarHBondContact SG-CD1 3.37Å |
| 479 | C | 44.6 | Very low | 46.4 | Very low | 47 Ų | 47 | 48.5 Ų | 48.5 | 32% | 0.318 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -75.2 | -28.2 | 172.7 | -67.8 | 0 | 0 | 0 | 0 | 112.7 | S475 V476 H477 L503 L506 | S475-C479 VanDerWaalsContact O-CB 3.29Å; S475-C479 WeakPolarHBondContact O-CB 3.44Å; S475-C479 PolarHBondContact O-N 2.96Å; S475-C479 PolarHBondContact O-SG 3.5Å; V476-C479 PolarHBondContact O-N 2.99Å; H477-C479 VanDerWaalsContact C-N 3.28Å; H477-C479 PolarHBondContact O-N 3.23Å; C479-L503 VanDerWaalsContact SG-CD1 3.58Å; C479-L506 HydrophobicContact CB-CD1 4.22Å |
| 480 | A | 41.6 | Very low | 47.2 | Very low | 15 Ų | 15 | 54.7 Ų | 54.7 | 12% | 0.124 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.9 | -48.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | V476 H477 R482 A529 I533 | V476-A480 VanDerWaalsContact O-CB 3.25Å; V476-A480 WeakPolarHBondContact O-CB 3.41Å; V476-A480 PolarHBondContact O-N 3.14Å; H477-A480 PolarHBondContact O-N 2.83Å; H477-A480 VanDerWaalsContact O-N 3.07Å; A480-R482 PolarHBondContact O-N 2.92Å; A480-A529 VanDerWaalsContact C-CB 3.41Å; A480-A529 VanDerWaalsContact CA-CB 3.4Å; A480-A529 HydrophobicContact CB-CB 3.9Å; A480-A529 WeakPolarHBondContact O-CB 3.36Å; A480-I533 HydrophobicContact CB-CD1 4.12Å; A480-I533 HydrophobicContact CB-CG1 4.49Å |
| 481 | K | 40 | Very low | 47.8 | Very low | 56 Ų | 56 | 56.3 Ų | 56.3 | 24% | 0.243 | 30% | 0.303 | C | S | . | . | trans | -81.1 | 123.3 | 179.9 | -74.5 | -155.2 | 174.6 | -177.6 | 0 | 112.6 | C438 H477 Q483 C484 | C438-K481 PolarHBondContact SG-NZ 3.2Å; H477-K481 PolarHBondContact O-N 3.21Å; K481-Q483 PolarHBondContact O-N 3.42Å; K481-C484 PolarHBondContact O-N 3.45Å | ||
| 482 | R | 38 | Very low | 48 | Very low | 224 Ų | 224 | 56.3 Ų | 56.3 | 85% | 0.845 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -15.7 | 168.3 | -77.8 | -168.1 | -179.6 | -172.2 | 2.7 | 114 | A480 C484 | A480-R482 PolarHBondContact O-N 2.92Å; R482-C484 VanDerWaalsContact C-N 3.33Å |
| 483 | Q | 41.1 | Very low | 48.4 | Very low | 107 Ų | 107 | 55.9 Ų | 55.9 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -2.7 | -178.1 | -63.1 | -166.9 | 6.4 | 0 | 0 | 113.9 | K481 T485 | K481-Q483 PolarHBondContact O-N 3.42Å; Q483-T485 PolarHBondContact O-N 3.48Å; Q483-T485 VanDerWaalsContact O-N 3.11Å |
| 484 | C | 44.5 | Very low | 49 | Very low | 20 Ų | 20 | 55.4 Ų | 55.4 | 14% | 0.135 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -66.8 | 113.9 | 168.8 | -122 | 0 | 0 | 0 | 0 | 108.9 | C478 K481 R482 N488 I489 | C478-C484 HydrophobicContact CB-CB 4.38Å; C478-C484 VanDerWaalsContact CB-SG 3.53Å; C478-C484 WeakPolarHBondContact O-CB 2.83Å; C478-C484 PolarHBondContact SG-SG 2.83Å; K481-C484 PolarHBondContact O-N 3.45Å; R482-C484 VanDerWaalsContact C-N 3.33Å; C484-N488 HydrophobicContact CB-CB 4.48Å; C484-N488 VanDerWaalsContact SG-CB 3.53Å; C484-I489 HydrophobicContact CB-CG1 4.33Å |
| 485 | T | 47.1 | Very low | 49.1 | Very low | 56 Ų | 56 | 56.9 Ų | 56.9 | 34% | 0.344 | 31% | 0.313 | S | S | . | . | trans | -60.5 | 151.5 | 176.5 | 61.5 | 0 | 0 | 0 | 0 | 109 | V442 Q483 G487 N488 I489 | V442-T485 HydrophobicContact CG2-CG2 4.18Å; V442-T485 WeakPolarHBondContact CG2-OG1 3.38Å; Q483-T485 PolarHBondContact O-N 3.48Å; Q483-T485 VanDerWaalsContact O-N 3.11Å; T485-G487 PolarHBondContact O-N 2.94Å; T485-N488 PolarHBondContact O-N 2.81Å; T485-N488 PolarHBondContact OG1-N 3.37Å; T485-N488 VanDerWaalsContact OG1-N 3.17Å; T485-N488 PolarHBondContact OG1-OD1 3.35Å; T485-I489 PolarHBondContact O-N 2.94Å; T485-I489 VanDerWaalsContact O-N 3.16Å | ||
| 486 | A | 55.4 | Low | 49.2 | Very low | 85 Ų | 85 | 57.9 Ų | 57.9 | 70% | 0.702 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -53.6 | -29.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K490 | A486-K490 WeakPolarHBondContact O-CB 3.43Å; A486-K490 PolarHBondContact O-N 3.2Å |
| 487 | G | 55.3 | Low | 49.3 | Very low | 36 Ų | 36 | 57.2 Ų | 57.2 | 37% | 0.371 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.4 | -50.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T485 I489 K490 L491 | T485-G487 PolarHBondContact O-N 2.94Å; G487-I489 PolarHBondContact O-N 2.96Å; G487-K490 WeakPolarHBondContact O-CB 3.48Å; G487-K490 PolarHBondContact O-N 3.12Å; G487-L491 WeakPolarHBondContact O-CB 3.35Å; G487-L491 PolarHBondContact O-N 2.83Å |
| 488 | N | 54.5 | Low | 49 | Very low | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.032 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 177.4 | -69.5 | -1.1 | 0 | 0 | 0 | 112 | V442 F445 C484 T485 K490 L491 L492 | V442-N488 WeakPolarHBondContact CA-OD1 3.1Å; V442-N488 WeakPolarHBondContact CG1-OD1 3.23Å; V442-N488 WeakPolarHBondContact CG2-OD1 3.25Å; F445-N488 HydrophobicContact CD1-CB 3.61Å; F445-N488 VanDerWaalsContact CD1-CG 3.45Å; F445-N488 WeakPolarHBondContact CD1-OD1 3.19Å; F445-N488 VanDerWaalsContact CE1-CA 3.48Å; F445-N488 HydrophobicContact CE1-CB 3.55Å; F445-N488 WeakPolarHBondContact CE1-O 3.35Å; F445-N488 HydrophobicContact CG-CB 4.19Å; F445-N488 HydrophobicContact CZ-CB 4.07Å; C484-N488 HydrophobicContact CB-CB 4.48Å; C484-N488 VanDerWaalsContact SG-CB 3.53Å; T485-N488 PolarHBondContact O-N 2.81Å; T485-N488 PolarHBondContact OG1-N 3.37Å; T485-N488 VanDerWaalsContact OG1-N 3.17Å; T485-N488 PolarHBondContact OG1-OD1 3.35Å; N488-K490 VanDerWaalsContact C-N 3.27Å; N488-K490 PolarHBondContact O-N 3.26Å; N488-L491 PolarHBondContact O-N 3.46Å; N488-L492 WeakPolarHBondContact O-CB 3.41Å; N488-L492 PolarHBondContact O-N 3.48Å |
| 489 | I | 53.6 | Low | 48.8 | Very low | 58 Ų | 58 | 57.2 Ų | 57.2 | 30% | 0.297 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 177.1 | -62.5 | 174.5 | 0 | 0 | 0 | 110.5 | C484 T485 G487 L492 L493 L503 | C484-I489 HydrophobicContact CB-CG1 4.33Å; T485-I489 PolarHBondContact O-N 2.94Å; T485-I489 VanDerWaalsContact O-N 3.16Å; G487-I489 PolarHBondContact O-N 2.96Å; I489-L492 PolarHBondContact O-N 2.91Å; I489-L493 HydrophobicContact CG2-CD1 3.82Å; I489-L493 HydrophobicContact CG2-CG 4.36Å; I489-L493 WeakPolarHBondContact O-CB 3.33Å; I489-L493 VanDerWaalsContact O-CG 3.23Å; I489-L493 WeakPolarHBondContact O-CG 3.26Å; I489-L493 PolarHBondContact O-N 3.06Å; I489-L503 HydrophobicContact CG2-CD1 4.42Å |
| 490 | K | 60.8 | Low | 48.6 | Very low | 162 Ų | 162 | 57.7 Ų | 57.7 | 70% | 0.704 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.6 | -43.5 | 175.8 | -126.6 | -179.2 | -179.6 | -176.1 | 0 | 111.9 | A486 G487 N488 L493 S494 | A486-K490 WeakPolarHBondContact O-CB 3.43Å; A486-K490 PolarHBondContact O-N 3.2Å; G487-K490 WeakPolarHBondContact O-CB 3.48Å; G487-K490 PolarHBondContact O-N 3.12Å; N488-K490 VanDerWaalsContact C-N 3.27Å; N488-K490 PolarHBondContact O-N 3.26Å; K490-L493 PolarHBondContact O-N 3.21Å; K490-S494 WeakPolarHBondContact O-CB 3.43Å; K490-S494 PolarHBondContact O-N 2.95Å; K490-S494 PolarHBondContact O-OG 3.08Å |
| 491 | L | 57.8 | Low | 48.4 | Very low | 39 Ų | 39 | 57.9 Ų | 57.9 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 179.4 | -140.2 | 83.7 | 0 | 0 | 0 | 111.3 | F445 K446 L449 G487 N488 S494 S495 | F445-L491 HydrophobicContact CD1-CB 4.25Å; F445-L491 HydrophobicContact CD1-CD2 3.93Å; F445-L491 HydrophobicContact CE1-CB 3.95Å; F445-L491 HydrophobicContact CE1-CD2 4.31Å; K446-L491 HydrophobicContact CB-CD2 3.37Å; K446-L491 HydrophobicContact CD-CD1 4.44Å; K446-L491 HydrophobicContact CD-CD2 4.12Å; K446-L491 HydrophobicContact CG-CD2 3.66Å; L449-L491 HydrophobicContact CD1-CB 4.05Å; L449-L491 HydrophobicContact CD1-CD2 4.02Å; L449-L491 HydrophobicContact CD1-CG 4.26Å; G487-L491 WeakPolarHBondContact O-CB 3.35Å; G487-L491 PolarHBondContact O-N 2.83Å; N488-L491 PolarHBondContact O-N 3.46Å; L491-S494 WeakPolarHBondContact CA-OG 3.19Å; L491-S494 PolarHBondContact O-N 2.85Å; L491-S494 PolarHBondContact O-OG 3.22Å; L491-S495 PolarHBondContact O-N 3.16Å; L491-S495 PolarHBondContact O-OG 3.39Å; L491-S495 VanDerWaalsContact O-OG 3.04Å |
| 492 | L | 53 | Low | 48.2 | Very low | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 176.5 | -124.8 | 168 | 0 | 0 | 0 | 111.5 | F445 L449 L471 L474 C478 N488 I489 S494 S495 F496 M499 | F445-L492 HydrophobicContact CE1-CB 4.34Å; F445-L492 HydrophobicContact CE1-CD1 4.5Å; F445-L492 HydrophobicContact CE1-CG 4.32Å; F445-L492 HydrophobicContact CE2-CD1 4.02Å; F445-L492 HydrophobicContact CE2-CG 4.39Å; F445-L492 HydrophobicContact CZ-CB 3.97Å; F445-L492 HydrophobicContact CZ-CD1 3.42Å; F445-L492 VanDerWaalsContact CZ-CD1 3.42Å; F445-L492 HydrophobicContact CZ-CG 3.54Å; L449-L492 HydrophobicContact CD1-CB 4.28Å; L449-L492 HydrophobicContact CD1-CG 4.1Å; L449-L492 HydrophobicContact CD2-CD2 3.94Å; L449-L492 HydrophobicContact CD2-CG 4.02Å; L471-L492 HydrophobicContact CD2-CD2 4.47Å; L474-L492 HydrophobicContact CB-CD1 4.46Å; L474-L492 HydrophobicContact CB-CD2 4.49Å; L474-L492 HydrophobicContact CD2-CD1 4.17Å; L474-L492 HydrophobicContact CD2-CD2 4.28Å; L474-L492 HydrophobicContact CD2-CG 4.24Å; C478-L492 HydrophobicContact CB-CD1 3.61Å; C478-L492 WeakPolarHBondContact SG-CD1 3.37Å; N488-L492 WeakPolarHBondContact O-CB 3.41Å; N488-L492 PolarHBondContact O-N 3.48Å; I489-L492 PolarHBondContact O-N 2.91Å; L492-S494 VanDerWaalsContact C-N 3.28Å; L492-S494 PolarHBondContact O-N 3.21Å; L492-S495 PolarHBondContact O-N 3.05Å; L492-F496 PolarHBondContact O-N 3.17Å; L492-M499 HydrophobicContact CB-CE 3.97Å; L492-M499 HydrophobicContact CB-SD 3.84Å; L492-M499 HydrophobicContact CD1-CE 3.51Å; L492-M499 HydrophobicContact CD1-SD 4.46Å; L492-M499 HydrophobicContact CD2-CE 3.72Å; L492-M499 HydrophobicContact CD2-SD 3.91Å; L492-M499 HydrophobicContact CG-CE 3.91Å; L492-M499 HydrophobicContact CG-SD 4.25Å |
| 493 | L | 53.4 | Low | 48.3 | Very low | 64 Ų | 64 | 48.4 Ų | 48.4 | 34% | 0.335 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.1 | -32.7 | 174.8 | -75.1 | 168.6 | 0 | 0 | 0 | 112.4 | I489 K490 M499 | I489-L493 HydrophobicContact CG2-CD1 3.82Å; I489-L493 HydrophobicContact CG2-CG 4.36Å; I489-L493 WeakPolarHBondContact O-CB 3.33Å; I489-L493 VanDerWaalsContact O-CG 3.23Å; I489-L493 WeakPolarHBondContact O-CG 3.26Å; I489-L493 PolarHBondContact O-N 3.06Å; K490-L493 PolarHBondContact O-N 3.21Å; L493-M499 HydrophobicContact CD2-CB 4.23Å; L493-M499 HydrophobicContact CD2-CG 4.43Å; L493-M499 HydrophobicContact CD2-SD 3.98Å; L493-M499 HydrophobicContact CG-SD 4.14Å |
| 494 | S | 58.3 | Low | 48.2 | Very low | 85 Ų | 85 | 45.9 Ų | 45.9 | 59% | 0.594 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -76 | -31.6 | 175.5 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | K490 L491 L492 | K490-S494 WeakPolarHBondContact O-CB 3.43Å; K490-S494 PolarHBondContact O-N 2.95Å; K490-S494 PolarHBondContact O-OG 3.08Å; L491-S494 WeakPolarHBondContact CA-OG 3.19Å; L491-S494 PolarHBondContact O-N 2.85Å; L491-S494 PolarHBondContact O-OG 3.22Å; L492-S494 VanDerWaalsContact C-N 3.28Å; L492-S494 PolarHBondContact O-N 3.21Å |
| 495 | S | 50.6 | Low | 47.7 | Very low | 34 Ų | 34 | 47 Ų | 47 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -84 | -25.3 | -179.9 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | L491 L492 | L491-S495 PolarHBondContact O-N 3.16Å; L491-S495 PolarHBondContact O-OG 3.39Å; L491-S495 VanDerWaalsContact O-OG 3.04Å; L492-S495 PolarHBondContact O-N 3.05Å |
| 496 | F | 48 | Very low | 47.1 | Very low | 27 Ų | 27 | 46.4 Ų | 46.4 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | trans | -143.8 | 88.7 | 179.3 | -162.9 | -110.4 | 0 | 0 | 0 | 112.6 | L471 L492 G498 M499 | L471-F496 HydrophobicContact CB-CD1 4.21Å; L471-F496 HydrophobicContact CB-CD2 4.39Å; L471-F496 HydrophobicContact CB-CG 4.12Å; L471-F496 HydrophobicContact CD1-CB 4Å; L471-F496 HydrophobicContact CD1-CD2 3.33Å; L471-F496 HydrophobicContact CD1-CE2 3.85Å; L471-F496 HydrophobicContact CD1-CG 3.72Å; L471-F496 HydrophobicContact CD2-CB 4.33Å; L471-F496 HydrophobicContact CG-CD2 4.41Å; L471-F496 HydrophobicContact CG-CG 4.39Å; L492-F496 PolarHBondContact O-N 3.17Å; F496-G498 PolarHBondContact O-N 3.37Å; F496-M499 HydrophobicContact CD1-CB 4.35Å; F496-M499 WeakPolarHBondContact O-CB 3.29Å; F496-M499 PolarHBondContact O-N 3.27Å | ||
| 497 | P | 45.5 | Very low | 46.3 | Very low | 58 Ų | 58 | 48.8 Ų | 48.8 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.9 | -179.8 | -16.5 | 16.9 | 0 | 0 | 0 | 115.1 | M499 S500 E756 | P497-M499 PolarHBondContact O-N 2.86Å; P497-S500 PolarHBondContact O-N 2.86Å; P497-E756 WeakPolarHBondContact CA-OE2 3.26Å; P497-E756 HydrophobicContact CB-CB 3.56Å; P497-E756 HydrophobicContact CB-CG 4.28Å; P497-E756 WeakPolarHBondContact CB-OE2 3.5Å; P497-E756 VanDerWaalsContact CD-CD 3.45Å; P497-E756 WeakPolarHBondContact CD-OE2 3.37Å; P497-E756 HydrophobicContact CG-CB 3.79Å; P497-E756 VanDerWaalsContact CG-CD 3.48Å; P497-E756 HydrophobicContact CG-CG 4.06Å; P497-E756 WeakPolarHBondContact CG-OE2 3.24Å; P497-E756 VanDerWaalsContact N-OE2 3.08Å |
| 498 | G | 40.7 | Very low | 45.3 | Very low | 18 Ų | 18 | 52 Ų | 52 | 19% | 0.186 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -13.1 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | F496 S500 S501 E756 | F496-G498 PolarHBondContact O-N 3.37Å; G498-S500 PolarHBondContact O-N 3.25Å; G498-S501 PolarHBondContact O-OG 3.25Å; G498-E756 PolarHBondContact N-OE2 3.07Å |
| 499 | M | 40.6 | Very low | 44.3 | Very low | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.02 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.6 | -27.1 | 177.2 | -165.9 | -162.3 | -155.8 | 0 | 0 | 114 | S475 L492 L493 F496 P497 S501 A502 L503 | S475-M499 VanDerWaalsContact OG-CE 3.23Å; S475-M499 WeakPolarHBondContact OG-CE 3.23Å; S475-M499 WeakPolarHBondContact OG-CG 3.25Å; L492-M499 HydrophobicContact CB-CE 3.97Å; L492-M499 HydrophobicContact CB-SD 3.84Å; L492-M499 HydrophobicContact CD1-CE 3.51Å; L492-M499 HydrophobicContact CD1-SD 4.46Å; L492-M499 HydrophobicContact CD2-CE 3.72Å; L492-M499 HydrophobicContact CD2-SD 3.91Å; L492-M499 HydrophobicContact CG-CE 3.91Å; L492-M499 HydrophobicContact CG-SD 4.25Å; L493-M499 HydrophobicContact CD2-CB 4.23Å; L493-M499 HydrophobicContact CD2-CG 4.43Å; L493-M499 HydrophobicContact CD2-SD 3.98Å; L493-M499 HydrophobicContact CG-SD 4.14Å; F496-M499 HydrophobicContact CD1-CB 4.35Å; F496-M499 WeakPolarHBondContact O-CB 3.29Å; F496-M499 PolarHBondContact O-N 3.27Å; P497-M499 PolarHBondContact O-N 2.86Å; M499-S501 PolarHBondContact O-N 3.36Å; M499-S501 VanDerWaalsContact O-N 3.16Å; M499-A502 PolarHBondContact O-N 3.02Å; M499-A502 VanDerWaalsContact O-N 3.1Å; M499-L503 HydrophobicContact CE-CD1 4.48Å; M499-L503 WeakPolarHBondContact O-CB 3.06Å; M499-L503 PolarHBondContact O-N 3.36Å; M499-L503 HydrophobicContact SD-CD1 4.43Å |
| 500 | S | 41.7 | Very low | 43.4 | Very low | 58 Ų | 58 | 58.8 Ų | 58.8 | 41% | 0.406 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.2 | -32 | -178.2 | -166 | 0 | 0 | 0 | 0 | 111.9 | P497 G498 L504 | P497-S500 PolarHBondContact O-N 2.86Å; G498-S500 PolarHBondContact O-N 3.25Å; S500-L504 WeakPolarHBondContact O-CB 3.47Å; S500-L504 WeakPolarHBondContact O-CD1 3.39Å; S500-L504 PolarHBondContact O-N 3.35Å |
| 501 | S | 37 | Very low | 42.2 | Very low | 18 Ų | 18 | 53.3 Ų | 53.3 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.2 | -42.2 | 175.9 | 66.2 | 0 | 0 | 0 | 0 | 112.8 | G498 M499 L504 S505 D758 N760 | G498-S501 PolarHBondContact O-OG 3.25Å; M499-S501 PolarHBondContact O-N 3.36Å; M499-S501 VanDerWaalsContact O-N 3.16Å; S501-L504 PolarHBondContact O-N 2.74Å; S501-S505 VanDerWaalsContact O-CB 3.29Å; S501-S505 WeakPolarHBondContact O-CB 3.48Å; S501-S505 PolarHBondContact O-N 3.14Å; S501-S505 PolarHBondContact O-OG 2.83Å; S501-D758 WeakPolarHBondContact CB-OD2 3.46Å; S501-D758 PolarHBondContact OG-OD2 3.16Å; S501-N760 WeakPolarHBondContact CB-ND2 3.17Å |
| 502 | A | 36.1 | Very low | 41 | Very low | 41 Ų | 41 | 55.8 Ų | 55.8 | 34% | 0.339 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | M499 L504 S505 L506 | M499-A502 PolarHBondContact O-N 3.02Å; M499-A502 VanDerWaalsContact O-N 3.1Å; A502-L504 PolarHBondContact O-N 3.02Å; A502-S505 PolarHBondContact O-N 3.44Å; A502-L506 WeakPolarHBondContact O-CB 3.3Å; A502-L506 WeakPolarHBondContact O-CD1 3.5Å; A502-L506 WeakPolarHBondContact O-CG 3.47Å; A502-L506 PolarHBondContact O-N 3.46Å |
| 503 | L | 39.6 | Very low | 39.9 | Very low | 41 Ų | 41 | 58.1 Ų | 58.1 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.1 | -36.3 | -178.8 | -144 | 140.1 | 0 | 0 | 0 | 112 | C479 I489 M499 K507 | C479-L503 VanDerWaalsContact SG-CD1 3.58Å; I489-L503 HydrophobicContact CG2-CD1 4.42Å; M499-L503 HydrophobicContact CE-CD1 4.48Å; M499-L503 WeakPolarHBondContact O-CB 3.06Å; M499-L503 PolarHBondContact O-N 3.36Å; M499-L503 HydrophobicContact SD-CD1 4.43Å; L503-K507 PolarHBondContact O-N 3.39Å; L503-K507 VanDerWaalsContact O-N 3.08Å |
| 504 | L | 39.1 | Very low | 38.9 | Very low | 54 Ų | 54 | 61.6 Ų | 61.6 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -77 | -33.7 | 172.5 | -97.9 | 104.5 | 0 | 0 | 0 | 114.2 | S500 S501 A502 L506 K507 H508 R764 | S500-L504 WeakPolarHBondContact O-CB 3.47Å; S500-L504 WeakPolarHBondContact O-CD1 3.39Å; S500-L504 PolarHBondContact O-N 3.35Å; S501-L504 PolarHBondContact O-N 2.74Å; A502-L504 PolarHBondContact O-N 3.02Å; L504-L506 PolarHBondContact O-N 3.45Å; L504-K507 WeakPolarHBondContact O-CB 3.48Å; L504-K507 PolarHBondContact O-N 2.87Å; L504-H508 PolarHBondContact O-N 3.47Å; L504-R764 VanDerWaalsContact CB-CZ 3.49Å |
| 505 | S | 33.8 | Very low | 37.7 | Very low | 44 Ų | 44 | 62.9 Ų | 62.9 | 31% | 0.308 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 173.9 | -57.9 | 0 | 0 | 0 | 0 | 110 | S501 A502 H508 M509 | S501-S505 VanDerWaalsContact O-CB 3.29Å; S501-S505 WeakPolarHBondContact O-CB 3.48Å; S501-S505 PolarHBondContact O-N 3.14Å; S501-S505 PolarHBondContact O-OG 2.83Å; A502-S505 PolarHBondContact O-N 3.44Å; S505-H508 WeakPolarHBondContact O-CB 3.16Å; S505-H508 PolarHBondContact O-N 2.86Å; S505-M509 PolarHBondContact O-N 3.2Å |
| 506 | L | 34.9 | Very low | 36.7 | Very low | 42 Ų | 42 | 66.2 Ų | 66.2 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.8 | -41 | 171.3 | -76.8 | 163 | 0 | 0 | 0 | 112.9 | C479 A502 L504 H508 M509 R510 W532 | C479-L506 HydrophobicContact CB-CD1 4.22Å; A502-L506 WeakPolarHBondContact O-CB 3.3Å; A502-L506 WeakPolarHBondContact O-CD1 3.5Å; A502-L506 WeakPolarHBondContact O-CG 3.47Å; A502-L506 PolarHBondContact O-N 3.46Å; L504-L506 PolarHBondContact O-N 3.45Å; L506-H508 VanDerWaalsContact C-N 3.33Å; L506-H508 PolarHBondContact O-N 2.77Å; L506-M509 HydrophobicContact CD2-CE 4.36Å; L506-M509 PolarHBondContact O-N 3.34Å; L506-R510 PolarHBondContact O-N 2.61Å; L506-W532 HydrophobicContact CD2-CD2 4.26Å; L506-W532 HydrophobicContact CD2-CZ2 4.1Å |
| 507 | K | 38.1 | Very low | 35.7 | Very low | 136 Ų | 136 | 67.2 Ų | 67.2 | 59% | 0.591 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.4 | -40.2 | 171.9 | -81.6 | -177.2 | 175.7 | 177.7 | 0 | 112 | L503 L504 R510 S511 | L503-K507 PolarHBondContact O-N 3.39Å; L503-K507 VanDerWaalsContact O-N 3.08Å; L504-K507 WeakPolarHBondContact O-CB 3.48Å; L504-K507 PolarHBondContact O-N 2.87Å; K507-R510 WeakPolarHBondContact O-CB 3.34Å; K507-R510 PolarHBondContact O-N 2.6Å; K507-S511 PolarHBondContact O-N 2.99Å; K507-S511 VanDerWaalsContact O-N 3.14Å |
| 508 | H | 34.6 | Very low | 35 | Very low | 103 Ų | 103 | 68.3 Ų | 68.3 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 176.6 | -107 | -71 | 0 | 0 | 0 | 111.8 | L504 S505 L506 R510 S511 I512 | L504-H508 PolarHBondContact O-N 3.47Å; S505-H508 WeakPolarHBondContact O-CB 3.16Å; S505-H508 PolarHBondContact O-N 2.86Å; L506-H508 VanDerWaalsContact C-N 3.33Å; L506-H508 PolarHBondContact O-N 2.77Å; H508-R510 PolarHBondContact O-N 2.79Å; H508-S511 WeakPolarHBondContact O-CB 3.46Å; H508-S511 PolarHBondContact O-N 2.71Å; H508-I512 WeakPolarHBondContact O-CG1 3.47Å; H508-I512 PolarHBondContact O-N 3.34Å |
| 509 | M | 32.3 | Very low | 34.5 | Very low | 59 Ų | 59 | 76.3 Ų | 76.3 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 177.2 | -75.9 | -176.7 | -79.3 | 0 | 0 | 112.4 | S505 L506 S511 I512 M513 W532 | S505-M509 PolarHBondContact O-N 3.2Å; L506-M509 HydrophobicContact CD2-CE 4.36Å; L506-M509 PolarHBondContact O-N 3.34Å; M509-S511 PolarHBondContact O-N 3.17Å; M509-I512 PolarHBondContact O-N 3.32Å; M509-M513 PolarHBondContact O-N 3.27Å; M509-W532 HydrophobicContact CB-CH2 3.93Å; M509-W532 HydrophobicContact CB-CZ2 3.97Å; M509-W532 HydrophobicContact CE-CH2 3.97Å; M509-W532 HydrophobicContact CE-CZ3 4.47Å; M509-W532 HydrophobicContact CG-CH2 4.3Å; M509-W532 HydrophobicContact SD-CH2 3.48Å; M509-W532 WeakPolarHBondContact SD-CH2 3.33Å; M509-W532 HydrophobicContact SD-CZ2 4.38Å; M509-W532 HydrophobicContact SD-CZ3 4.13Å |
| 510 | R | 35.1 | Very low | 33.9 | Very low | 147 Ų | 147 | 80.7 Ų | 80.7 | 56% | 0.555 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -55.5 | -39.9 | 170 | -103.9 | -177.3 | 172.6 | 163.4 | 2.3 | 112.3 | L506 K507 H508 K514 | L506-R510 PolarHBondContact O-N 2.61Å; K507-R510 WeakPolarHBondContact O-CB 3.34Å; K507-R510 PolarHBondContact O-N 2.6Å; H508-R510 PolarHBondContact O-N 2.79Å; R510-K514 VanDerWaalsContact O-CB 3.28Å; R510-K514 WeakPolarHBondContact O-CB 3.49Å; R510-K514 PolarHBondContact O-N 2.9Å |
| 511 | S | 36.8 | Very low | 33.2 | Very low | 48 Ų | 48 | 88.6 Ų | 88.6 | 34% | 0.336 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71 | -39.2 | 179.5 | -160.1 | 0 | 0 | 0 | 0 | 112.4 | K507 H508 M509 K514 Y515 | K507-S511 PolarHBondContact O-N 2.99Å; K507-S511 VanDerWaalsContact O-N 3.14Å; H508-S511 WeakPolarHBondContact O-CB 3.46Å; H508-S511 PolarHBondContact O-N 2.71Å; M509-S511 PolarHBondContact O-N 3.17Å; S511-K514 PolarHBondContact O-N 2.64Å; S511-Y515 PolarHBondContact O-N 3.27Å; S511-Y515 VanDerWaalsContact O-N 3.13Å |
| 512 | I | 31.8 | Very low | 33 | Very low | 90 Ų | 90 | 95.7 Ų | 95.7 | 46% | 0.462 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 177.6 | -66.7 | 166.7 | 0 | 0 | 0 | 110.4 | H508 M509 Y515 H516 | H508-I512 WeakPolarHBondContact O-CG1 3.47Å; H508-I512 PolarHBondContact O-N 3.34Å; M509-I512 PolarHBondContact O-N 3.32Å; I512-Y515 WeakPolarHBondContact O-CB 3.5Å; I512-Y515 PolarHBondContact O-N 2.89Å; I512-H516 PolarHBondContact O-CD2 3.26Å; I512-H516 VanDerWaalsContact O-CD2 3.29Å; I512-H516 PolarHBondContact O-N 3.02Å; I512-H516 VanDerWaalsContact O-N 3.07Å |
| 513 | M | 30.2 | Very low | 32.8 | Very low | 49 Ų | 49 | 100.6 Ų | 100.6 | 24% | 0.241 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -68.7 | -36.4 | 177.8 | -69 | 179.5 | 72.2 | 0 | 0 | 112.6 | M509 Y515 H516 L517 | M509-M513 PolarHBondContact O-N 3.27Å; M513-Y515 PolarHBondContact O-N 3.31Å; M513-H516 PolarHBondContact O-N 2.64Å; M513-L517 WeakPolarHBondContact O-CB 3.5Å; M513-L517 PolarHBondContact O-N 2.91Å; M513-L517 VanDerWaalsContact O-N 3.16Å |
| 514 | K | 31.7 | Very low | 32.2 | Very low | 138 Ų | 138 | 102.6 Ų | 102.6 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -32.7 | 174.6 | -158.8 | -178.8 | -175.2 | -169.3 | 0 | 111.7 | R510 S511 S518 | R510-K514 VanDerWaalsContact O-CB 3.28Å; R510-K514 WeakPolarHBondContact O-CB 3.49Å; R510-K514 PolarHBondContact O-N 2.9Å; S511-K514 PolarHBondContact O-N 2.64Å; K514-S518 WeakPolarHBondContact O-CB 3.39Å; K514-S518 PolarHBondContact O-N 3.17Å; K514-S518 PolarHBondContact O-OG 3Å |
| 515 | Y | 34.2 | Very low | 31.6 | Very low | 111 Ų | 111 | 107.5 Ų | 107.5 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74.2 | -42.1 | 176.9 | -178.3 | -102.3 | 0 | 0 | 0 | 112.7 | S511 I512 M513 L517 S518 Y797 | S511-Y515 PolarHBondContact O-N 3.27Å; S511-Y515 VanDerWaalsContact O-N 3.13Å; I512-Y515 WeakPolarHBondContact O-CB 3.5Å; I512-Y515 PolarHBondContact O-N 2.89Å; M513-Y515 PolarHBondContact O-N 3.31Å; Y515-L517 VanDerWaalsContact C-N 3.29Å; Y515-L517 PolarHBondContact O-N 3.36Å; Y515-S518 PolarHBondContact O-OG 3.49Å; Y515-S518 VanDerWaalsContact O-OG 3.14Å; Y515-Y797 AromaticContact CE1-CE1 3.95Å; Y515-Y797 HydrophobicContact CE1-CE1 3.95Å |
| 516 | H | 28.2 | Very low | 31.6 | Very low | 105 Ų | 105 | 111.5 Ų | 111.5 | 49% | 0.486 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -74.2 | -16.7 | 179.2 | -72.4 | -55.1 | 0 | 0 | 0 | 114.5 | I512 M513 Y797 | I512-H516 PolarHBondContact O-CD2 3.26Å; I512-H516 VanDerWaalsContact O-CD2 3.29Å; I512-H516 PolarHBondContact O-N 3.02Å; I512-H516 VanDerWaalsContact O-N 3.07Å; M513-H516 PolarHBondContact O-N 2.64Å; H516-Y797 PolarHBondContact CE1-OH 3.36Å |
| 517 | L | 28.2 | Very low | 31.5 | Very low | 47 Ų | 47 | 113 Ų | 113 | 25% | 0.246 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -112.7 | -2.9 | -177.5 | -63.6 | 170.7 | 0 | 0 | 0 | 113.6 | F305 M513 Y515 E519 M520 F527 | F305-L517 HydrophobicContact CZ-CD2 4.25Å; M513-L517 WeakPolarHBondContact O-CB 3.5Å; M513-L517 PolarHBondContact O-N 2.91Å; M513-L517 VanDerWaalsContact O-N 3.16Å; Y515-L517 VanDerWaalsContact C-N 3.29Å; Y515-L517 PolarHBondContact O-N 3.36Å; L517-E519 PolarHBondContact O-N 2.8Å; L517-M520 WeakPolarHBondContact O-CB 3.4Å; L517-M520 PolarHBondContact O-N 2.69Å; L517-F527 HydrophobicContact CB-CE2 4.5Å; L517-F527 HydrophobicContact CD1-CE1 4.22Å; L517-F527 HydrophobicContact CD1-CE2 3.54Å; L517-F527 HydrophobicContact CD1-CZ 3.34Å |
| 518 | S | 30.2 | Very low | 31.3 | Very low | 81 Ų | 81 | 108 Ų | 108 | 57% | 0.566 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -5.3 | 175.2 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | K514 Y515 M520 | K514-S518 WeakPolarHBondContact O-CB 3.39Å; K514-S518 PolarHBondContact O-N 3.17Å; K514-S518 PolarHBondContact O-OG 3Å; Y515-S518 PolarHBondContact O-OG 3.49Å; Y515-S518 VanDerWaalsContact O-OG 3.14Å; S518-M520 PolarHBondContact O-N 3.27Å |
| 519 | E | 30.4 | Very low | 31.4 | Very low | 187 Ų | 187 | 103.7 Ų | 103.7 | 87% | 0.874 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -7.5 | 166 | -74.1 | -168.1 | 162.6 | 0 | 0 | 112.9 | L517 | L517-E519 PolarHBondContact O-N 2.8Š|
| 520 | M | 27.4 | Very low | 31.5 | Very low | 95 Ų | 95 | 103.4 Ų | 103.4 | 47% | 0.468 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -100.9 | 114.7 | 173.9 | -61.9 | -79 | -94.4 | 0 | 0 | 108.2 | L517 S518 I524 | L517-M520 WeakPolarHBondContact O-CB 3.4Å; L517-M520 PolarHBondContact O-N 2.69Å; S518-M520 PolarHBondContact O-N 3.27Å; M520-I524 HydrophobicContact CB-CD1 3.55Å; M520-I524 WeakPolarHBondContact O-CD1 3.18Å |
| 521 | R | 28.7 | Very low | 31.7 | Very low | 225 Ų | 225 | 98.2 Ų | 98.2 | 85% | 0.849 | 48% | 0.484 | S | S | * | . | trans | -21.2 | 144 | -173.2 | -71.8 | -178.8 | 178.4 | -174.1 | -1.2 | 117.2 | D523 | R521-D523 PolarHBondContact O-N 3.01Š| ||
| 522 | D | 32.3 | Very low | 31.9 | Very low | 167 Ų | 167 | 99.6 Ų | 99.6 | 89% | 0.893 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.6 | -3 | -168.8 | -66.9 | -51.4 | 0 | 0 | 0 | 119.6 | ||
| 523 | D | 31.7 | Very low | 32.2 | Very low | 144 Ų | 144 | 97.1 Ų | 97.1 | 77% | 0.77 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 7.6 | -176.7 | -63.6 | -29.8 | 0 | 0 | 0 | 114.1 | R521 Q525 | R521-D523 PolarHBondContact O-N 3.01Å; D523-Q525 PolarHBondContact O-N 3.38Å |
| 524 | I | 25.7 | Very low | 32.8 | Very low | 82 Ų | 82 | 97 Ų | 97 | 42% | 0.421 | 47% | 0.47 | S | S | . | . | trans | -73.8 | 82.6 | 176.1 | -52.8 | -179.4 | 0 | 0 | 0 | 109.7 | M520 H526 F527 | M520-I524 HydrophobicContact CB-CD1 3.55Å; M520-I524 WeakPolarHBondContact O-CD1 3.18Å; I524-H526 PolarHBondContact O-N 3.09Å; I524-F527 HydrophobicContact CG2-CE2 3.98Å; I524-F527 HydrophobicContact CG2-CZ 4.48Å | ||
| 525 | Q | 28.3 | Very low | 33.4 | Very low | 157 Ų | 157 | 91.9 Ų | 91.9 | 73% | 0.734 | 45% | 0.449 | S | S | * | . | trans | -57.8 | 98.7 | 165.3 | -71.1 | -173.3 | -6.1 | 0 | 0 | 109.9 | D523 | D523-Q525 PolarHBondContact O-N 3.38Š| ||
| 526 | H | 32.1 | Very low | 33.9 | Very low | 129 Ų | 129 | 89.4 Ų | 89.4 | 60% | 0.597 | 45% | 0.451 | S | S | * | . | trans | 34.9 | 99.3 | 150 | -62.3 | -45.5 | 0 | 0 | 0 | 117.6 | I524 S528 | I524-H526 PolarHBondContact O-N 3.09Å; H526-S528 PolarHBondContact O-N 2.64Å; H526-S528 VanDerWaalsContact O-N 3.15Å | ||
| 527 | F | 33 | Very low | 34.8 | Very low | 72 Ų | 72 | 84.9 Ų | 84.9 | 32% | 0.316 | 43% | 0.43 | S | S | . | . | trans | -39.9 | 114.8 | 169.2 | -78.2 | -86 | 0 | 0 | 0 | 113 | F305 L517 I524 | F305-F527 HydrophobicContact CE2-CZ 4.28Å; L517-F527 HydrophobicContact CB-CE2 4.5Å; L517-F527 HydrophobicContact CD1-CE1 4.22Å; L517-F527 HydrophobicContact CD1-CE2 3.54Å; L517-F527 HydrophobicContact CD1-CZ 3.34Å; I524-F527 HydrophobicContact CG2-CE2 3.98Å; I524-F527 HydrophobicContact CG2-CZ 4.48Å | ||
| 528 | S | 34.6 | Very low | 35.8 | Very low | 31 Ų | 31 | 83.5 Ų | 83.5 | 22% | 0.217 | 42% | 0.422 | C | S | . | . | trans | -75.8 | 159.8 | 176.8 | 70.7 | 0 | 0 | 0 | 0 | 110.3 | H526 N530 | H526-S528 PolarHBondContact O-N 2.64Å; H526-S528 VanDerWaalsContact O-N 3.15Å; S528-N530 PolarHBondContact O-N 3.32Å; S528-N530 VanDerWaalsContact O-N 3.1Å | ||
| 529 | A | 35.7 | Very low | 36.7 | Very low | 14 Ų | 14 | 81.8 Ų | 81.8 | 12% | 0.116 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -11.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A480 C531 W532 | A480-A529 VanDerWaalsContact C-CB 3.41Å; A480-A529 VanDerWaalsContact CA-CB 3.4Å; A480-A529 HydrophobicContact CB-CB 3.9Å; A480-A529 WeakPolarHBondContact O-CB 3.36Å; A529-C531 PolarHBondContact O-N 2.56Å; A529-W532 PolarHBondContact O-N 2.62Å |
| 530 | N | 35.7 | Very low | 37.9 | Very low | 53 Ų | 53 | 75 Ų | 75 | 28% | 0.283 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.4 | -38.8 | -179.5 | -65.1 | 6.6 | 0 | 0 | 0 | 110.5 | S528 W532 I533 D534 | S528-N530 PolarHBondContact O-N 3.32Å; S528-N530 VanDerWaalsContact O-N 3.1Å; N530-W532 PolarHBondContact O-N 2.66Å; N530-I533 PolarHBondContact O-N 2.67Å; N530-I533 VanDerWaalsContact O-N 3.08Å; N530-D534 VanDerWaalsContact C-CG 3.46Å; N530-D534 WeakPolarHBondContact O-CB 2.93Å; N530-D534 PolarHBondContact O-N 3.29Å; N530-D534 VanDerWaalsContact O-OD2 3.09Å |
| 531 | C | 39.8 | Very low | 39.1 | Very low | 38 Ų | 38 | 71 Ų | 71 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -55.8 | -30 | -178.5 | -153.2 | 0 | 0 | 0 | 0 | 114.3 | A529 D534 I535 | A529-C531 PolarHBondContact O-N 2.56Å; C531-D534 VanDerWaalsContact CA-OD2 3.31Å; C531-D534 WeakPolarHBondContact CA-OD2 3.3Å; C531-D534 PolarHBondContact N-OD2 3.43Å; C531-I535 WeakPolarHBondContact O-CG1 3.21Å; C531-I535 PolarHBondContact O-N 2.77Å |
| 532 | W | 39.5 | Very low | 40.5 | Very low | 77 Ų | 77 | 60.3 Ų | 60.3 | 29% | 0.292 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -77.8 | -39.9 | -179.5 | -72.7 | 105.4 | 0 | 0 | 0 | 113.1 | L506 M509 A529 N530 D534 I535 | L506-W532 HydrophobicContact CD2-CD2 4.26Å; L506-W532 HydrophobicContact CD2-CZ2 4.1Å; M509-W532 HydrophobicContact CB-CH2 3.93Å; M509-W532 HydrophobicContact CB-CZ2 3.97Å; M509-W532 HydrophobicContact CE-CH2 3.97Å; M509-W532 HydrophobicContact CE-CZ3 4.47Å; M509-W532 HydrophobicContact CG-CH2 4.3Å; M509-W532 HydrophobicContact SD-CH2 3.48Å; M509-W532 WeakPolarHBondContact SD-CH2 3.33Å; M509-W532 HydrophobicContact SD-CZ2 4.38Å; M509-W532 HydrophobicContact SD-CZ3 4.13Å; A529-W532 PolarHBondContact O-N 2.62Å; N530-W532 PolarHBondContact O-N 2.66Å; W532-D534 VanDerWaalsContact C-N 3.32Å; W532-I535 HydrophobicContact CE3-CD1 4.29Å; W532-I535 HydrophobicContact CZ3-CD1 4.43Å; W532-I535 PolarHBondContact O-N 3.46Å |
| 533 | I | 39.5 | Very low | 41.8 | Very low | 38 Ų | 38 | 56.9 Ų | 56.9 | 20% | 0.195 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.5 | -40.8 | 175 | -39.8 | 179.6 | 0 | 0 | 0 | 107.6 | I398 A480 N530 I535 A536 L537 | I398-I533 HydrophobicContact CB-CG2 3.89Å; I398-I533 HydrophobicContact CD1-CG2 4Å; I398-I533 HydrophobicContact CG1-CG2 4.49Å; I398-I533 HydrophobicContact CG2-CB 3.71Å; I398-I533 HydrophobicContact CG2-CD1 3.39Å; I398-I533 HydrophobicContact CG2-CG1 4.1Å; I398-I533 HydrophobicContact CG2-CG2 3.2Å; A480-I533 HydrophobicContact CB-CD1 4.12Å; A480-I533 HydrophobicContact CB-CG1 4.49Å; N530-I533 PolarHBondContact O-N 2.67Å; N530-I533 VanDerWaalsContact O-N 3.08Å; I533-I535 PolarHBondContact O-N 2.7Å; I533-I535 VanDerWaalsContact O-N 3.08Å; I533-A536 PolarHBondContact O-N 3.4Å; I533-L537 HydrophobicContact CB-CD1 4.01Å; I533-L537 HydrophobicContact CG2-CD1 3.39Å; I533-L537 HydrophobicContact CG2-CD2 4.38Å; I533-L537 HydrophobicContact CG2-CG 3.74Å; I533-L537 WeakPolarHBondContact O-CB 3.49Å; I533-L537 VanDerWaalsContact O-CD1 3.26Å; I533-L537 WeakPolarHBondContact O-CD1 3.13Å; I533-L537 WeakPolarHBondContact O-CG 3.45Å; I533-L537 PolarHBondContact O-N 2.71Å |
| 534 | D | 42.5 | Very low | 43.4 | Very low | 46 Ų | 46 | 51 Ų | 51 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -48.9 | -39.8 | 173.6 | -60.6 | -23.6 | 0 | 0 | 0 | 111.8 | N530 C531 W532 Y538 | N530-D534 VanDerWaalsContact C-CG 3.46Å; N530-D534 WeakPolarHBondContact O-CB 2.93Å; N530-D534 PolarHBondContact O-N 3.29Å; N530-D534 VanDerWaalsContact O-OD2 3.09Å; C531-D534 VanDerWaalsContact CA-OD2 3.31Å; C531-D534 WeakPolarHBondContact CA-OD2 3.3Å; C531-D534 PolarHBondContact N-OD2 3.43Å; W532-D534 VanDerWaalsContact C-N 3.32Å; D534-Y538 WeakPolarHBondContact O-CA 3.13Å; D534-Y538 WeakPolarHBondContact O-CB 3.38Å; D534-Y538 PolarHBondContact O-N 2.79Å |
| 535 | I | 44.1 | Very low | 45.2 | Very low | 31 Ų | 31 | 47.1 Ų | 47.1 | 16% | 0.159 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68 | -54.7 | 178.7 | -67.9 | 162 | 0 | 0 | 0 | 112.8 | C531 W532 I533 L537 Y538 L539 F572 | C531-I535 WeakPolarHBondContact O-CG1 3.21Å; C531-I535 PolarHBondContact O-N 2.77Å; W532-I535 HydrophobicContact CE3-CD1 4.29Å; W532-I535 HydrophobicContact CZ3-CD1 4.43Å; W532-I535 PolarHBondContact O-N 3.46Å; I533-I535 PolarHBondContact O-N 2.7Å; I533-I535 VanDerWaalsContact O-N 3.08Å; I535-L537 PolarHBondContact O-N 3.38Å; I535-Y538 WeakPolarHBondContact O-CB 3.34Å; I535-Y538 PolarHBondContact O-N 2.74Å; I535-Y538 VanDerWaalsContact O-N 3.08Å; I535-L539 WeakPolarHBondContact O-CG 2.93Å; I535-L539 PolarHBondContact O-N 3.48Å; I535-F572 HydrophobicContact CD1-CD2 4.14Å; I535-F572 HydrophobicContact CD1-CE2 4Å; I535-F572 HydrophobicContact CD1-CZ 4.36Å; I535-F572 HydrophobicContact CG1-CE2 4.27Å |
| 536 | A | 44.5 | Very low | 46.8 | Very low | 58 Ų | 58 | 40 Ų | 40 | 48% | 0.479 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.5 | -37.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I533 L539 W540 | I533-A536 PolarHBondContact O-N 3.4Å; A536-L539 PolarHBondContact O-N 3.49Å; A536-W540 PolarHBondContact O-N 3.1Å; A536-W540 VanDerWaalsContact O-N 3.11Å |
| 537 | L | 46.3 | Very low | 48.4 | Very low | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 173.1 | -65.4 | 170.4 | 0 | 0 | 0 | 112.1 | A395 I398 V399 I533 I535 L539 W540 L541 | A395-L537 HydrophobicContact CB-CD2 3.23Å; A395-L537 WeakPolarHBondContact O-CD2 3.1Å; I398-L537 HydrophobicContact CB-CD1 4.13Å; I398-L537 HydrophobicContact CG2-CD1 4.19Å; V399-L537 HydrophobicContact CB-CD1 4.13Å; V399-L537 HydrophobicContact CG2-CB 3.77Å; V399-L537 HydrophobicContact CG2-CD1 3.33Å; V399-L537 HydrophobicContact CG2-CD2 3.9Å; V399-L537 HydrophobicContact CG2-CG 3.84Å; I533-L537 HydrophobicContact CB-CD1 4.01Å; I533-L537 HydrophobicContact CG2-CD1 3.39Å; I533-L537 HydrophobicContact CG2-CD2 4.38Å; I533-L537 HydrophobicContact CG2-CG 3.74Å; I533-L537 WeakPolarHBondContact O-CB 3.49Å; I533-L537 VanDerWaalsContact O-CD1 3.26Å; I533-L537 WeakPolarHBondContact O-CD1 3.13Å; I533-L537 WeakPolarHBondContact O-CG 3.45Å; I533-L537 PolarHBondContact O-N 2.71Å; I535-L537 PolarHBondContact O-N 3.38Å; L537-L539 VanDerWaalsContact C-N 3.35Å; L537-W540 PolarHBondContact O-N 3.36Å; L537-L541 WeakPolarHBondContact O-CB 3.26Å; L537-L541 PolarHBondContact O-N 3.42Å |
| 538 | Y | 49.2 | Very low | 50 | Low | 19 Ų | 19 | 34 Ų | 34 | 8% | 0.075 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.3 | -36.4 | 178.4 | -173.4 | -93.6 | 0 | 0 | 0 | 111.8 | P292 C296 D534 I535 N542 L568 | P292-Y538 HydrophobicContact CB-CE2 4.43Å; P292-Y538 WeakPolarHBondContact CB-OH 3.5Å; P292-Y538 WeakPolarHBondContact CG-OH 3.36Å; C296-Y538 HydrophobicContact CB-CD2 4.04Å; C296-Y538 HydrophobicContact CB-CE2 4.02Å; C296-Y538 WeakPolarHBondContact SG-CE2 3.31Å; D534-Y538 WeakPolarHBondContact O-CA 3.13Å; D534-Y538 WeakPolarHBondContact O-CB 3.38Å; D534-Y538 PolarHBondContact O-N 2.79Å; I535-Y538 WeakPolarHBondContact O-CB 3.34Å; I535-Y538 PolarHBondContact O-N 2.74Å; I535-Y538 VanDerWaalsContact O-N 3.08Å; Y538-N542 WeakPolarHBondContact CD1-ND2 3.24Å; Y538-N542 WeakPolarHBondContact CE1-ND2 3.44Å; Y538-N542 VanDerWaalsContact O-CB 3.22Å; Y538-N542 WeakPolarHBondContact O-CB 3.27Å; Y538-N542 PolarHBondContact O-N 2.67Å; Y538-L568 HydrophobicContact CD1-CD2 3.76Å; Y538-L568 HydrophobicContact CE1-CD1 4.18Å; Y538-L568 HydrophobicContact CE1-CD2 3.9Å; Y538-L568 HydrophobicContact CE1-CG 4.49Å |
| 539 | L | 49.5 | Very low | 51.5 | Low | 44 Ų | 44 | 32.6 Ų | 32.6 | 23% | 0.23 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 172.8 | -62.7 | -177.7 | 0 | 0 | 0 | 112.2 | I535 A536 L537 N542 K543 G565 S569 | I535-L539 WeakPolarHBondContact O-CG 2.93Å; I535-L539 PolarHBondContact O-N 3.48Å; A536-L539 PolarHBondContact O-N 3.49Å; L537-L539 VanDerWaalsContact C-N 3.35Å; L539-N542 PolarHBondContact O-N 2.91Å; L539-K543 PolarHBondContact O-N 2.86Å; L539-G565 VanDerWaalsContact CD2-CA 3.5Å; L539-G565 WeakPolarHBondContact CD2-O 3.05Å; L539-S569 VanDerWaalsContact CD1-OG 3.25Å; L539-S569 WeakPolarHBondContact CD1-OG 3.47Å; L539-S569 WeakPolarHBondContact CD2-OG 3.46Å |
| 540 | W | 54.9 | Low | 52.9 | Low | 45 Ų | 45 | 36.4 Ų | 36.4 | 17% | 0.17 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -50.9 | 174.5 | 169.2 | 63.9 | 0 | 0 | 0 | 110.8 | L365 L377 Q392 A395 A536 L537 N542 K543 E544 | L365-W540 HydrophobicContact CD1-CH2 3.67Å; L365-W540 HydrophobicContact CD1-CZ3 3.62Å; L377-W540 HydrophobicContact CD1-CH2 4.31Å; Q392-W540 HydrophobicContact CB-CH2 3.95Å; Q392-W540 HydrophobicContact CB-CZ2 3.42Å; Q392-W540 VanDerWaalsContact CB-CZ2 3.42Å; Q392-W540 HydrophobicContact CG-CH2 4.4Å; Q392-W540 HydrophobicContact CG-CZ2 3.41Å; Q392-W540 VanDerWaalsContact CG-CZ2 3.41Å; A395-W540 HydrophobicContact CB-CD2 4.42Å; A395-W540 HydrophobicContact CB-CE3 3.93Å; A395-W540 HydrophobicContact CB-CZ3 4.09Å; A536-W540 PolarHBondContact O-N 3.1Å; A536-W540 VanDerWaalsContact O-N 3.11Å; L537-W540 PolarHBondContact O-N 3.36Å; W540-N542 VanDerWaalsContact C-N 3.29Å; W540-N542 PolarHBondContact O-N 3.49Å; W540-K543 WeakPolarHBondContact O-CB 3.38Å; W540-K543 PolarHBondContact O-N 3.25Å; W540-E544 HydrophobicContact CD2-CG 4.38Å; W540-E544 HydrophobicContact CZ2-CG 3.89Å; W540-E544 VanDerWaalsContact NE1-CG 3.27Å; W540-E544 PolarHBondContact NE1-OE1 3.46Å; W540-E544 WeakPolarHBondContact O-CG 3.37Å; W540-E544 PolarHBondContact O-N 2.98Å |
| 541 | L | 54.2 | Low | 54.3 | Low | 10 Ų | 10 | 35.9 Ų | 35.9 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.4 | -43.1 | 178.8 | -169 | 70 | 0 | 0 | 0 | 111.4 | A362 L365 L366 L537 E544 V545 | A362-L541 WeakPolarHBondContact O-CD1 3.44Å; L365-L541 HydrophobicContact CB-CD1 3.38Å; L365-L541 HydrophobicContact CD1-CD1 3.97Å; L365-L541 HydrophobicContact CG-CD1 4.31Å; L366-L541 HydrophobicContact CB-CD2 4.25Å; L366-L541 HydrophobicContact CB-CG 4.45Å; L366-L541 HydrophobicContact CD1-CD2 3.74Å; L366-L541 HydrophobicContact CD1-CG 4.09Å; L537-L541 WeakPolarHBondContact O-CB 3.26Å; L537-L541 PolarHBondContact O-N 3.42Å; L541-E544 PolarHBondContact O-N 3.24Å; L541-V545 HydrophobicContact CG-CG2 4.36Å; L541-V545 WeakPolarHBondContact O-CB 3.43Å; L541-V545 WeakPolarHBondContact O-CG2 3.43Å; L541-V545 PolarHBondContact O-N 2.95Å |
| 542 | N | 58 | Low | 55.5 | Low | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.3 | -36.3 | 176 | -79.3 | -2.1 | 0 | 0 | 0 | 112.9 | Y538 L539 W540 A546 Y561 G565 | Y538-N542 WeakPolarHBondContact CD1-ND2 3.24Å; Y538-N542 WeakPolarHBondContact CE1-ND2 3.44Å; Y538-N542 VanDerWaalsContact O-CB 3.22Å; Y538-N542 WeakPolarHBondContact O-CB 3.27Å; Y538-N542 PolarHBondContact O-N 2.67Å; L539-N542 PolarHBondContact O-N 2.91Å; W540-N542 VanDerWaalsContact C-N 3.29Å; W540-N542 PolarHBondContact O-N 3.49Å; N542-A546 WeakPolarHBondContact O-CB 3.15Å; N542-A546 PolarHBondContact O-N 3.34Å; N542-Y561 WeakPolarHBondContact OD1-CD1 3.37Å; N542-G565 WeakPolarHBondContact ND2-CA 3.19Å; N542-G565 PolarHBondContact ND2-N 2.83Å |
| 543 | K | 59.9 | Low | 56.5 | Low | 96 Ų | 96 | 30.5 Ų | 30.5 | 42% | 0.417 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.9 | -50.7 | 173.7 | -177 | -174.1 | 176.6 | -176.1 | 0 | 110.6 | L539 W540 V545 A546 L547 E589 | L539-K543 PolarHBondContact O-N 2.86Å; W540-K543 WeakPolarHBondContact O-CB 3.38Å; W540-K543 PolarHBondContact O-N 3.25Å; K543-V545 VanDerWaalsContact C-N 3.35Å; K543-V545 PolarHBondContact O-N 2.93Å; K543-A546 PolarHBondContact O-N 2.92Å; K543-L547 PolarHBondContact O-N 3.2Å; K543-E589 IonicContact NZ-OE1 3.71Å; K543-E589 PolarHBondContact NZ-OE1 3.45Å; K543-E589 VanDerWaalsContact NZ-OE1 3.12Å |
| 544 | E | 64.3 | Low | 57.6 | Low | 21 Ų | 21 | 28.8 Ų | 28.8 | 10% | 0.098 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -38 | -179 | -58.4 | -57.7 | 163 | 0 | 0 | 111.9 | H358 A362 Q392 W540 L541 L547 A548 | H358-E544 IonicContact CE1-OE2 3.6Å; H358-E544 PolarHBondContact CE1-OE2 2.95Å; H358-E544 VanDerWaalsContact CE1-OE2 3.28Å; H358-E544 IonicContact NE2-OE2 3.78Å; A362-E544 HydrophobicContact CB-CB 3.62Å; Q392-E544 PolarHBondContact NE2-OE1 2.83Å; W540-E544 HydrophobicContact CD2-CG 4.38Å; W540-E544 HydrophobicContact CZ2-CG 3.89Å; W540-E544 VanDerWaalsContact NE1-CG 3.27Å; W540-E544 PolarHBondContact NE1-OE1 3.46Å; W540-E544 WeakPolarHBondContact O-CG 3.37Å; W540-E544 PolarHBondContact O-N 2.98Å; L541-E544 PolarHBondContact O-N 3.24Å; E544-L547 WeakPolarHBondContact O-CB 3.38Å; E544-L547 PolarHBondContact O-N 3.35Å; E544-A548 PolarHBondContact O-N 3.2Å |
| 545 | V | 64 | Low | 58.3 | Low | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.9 | -39.7 | 175.2 | 165.5 | 0 | 0 | 0 | 0 | 111.2 | L366 L541 K543 L547 A548 Y549 Y561 | L366-V545 HydrophobicContact CB-CG2 4Å; L366-V545 HydrophobicContact CD1-CG2 4.22Å; L366-V545 HydrophobicContact CD2-CB 4.36Å; L366-V545 HydrophobicContact CD2-CG1 3.66Å; L366-V545 HydrophobicContact CD2-CG2 3.8Å; L366-V545 HydrophobicContact CG-CG2 4.22Å; L541-V545 HydrophobicContact CG-CG2 4.36Å; L541-V545 WeakPolarHBondContact O-CB 3.43Å; L541-V545 WeakPolarHBondContact O-CG2 3.43Å; L541-V545 PolarHBondContact O-N 2.95Å; K543-V545 VanDerWaalsContact C-N 3.35Å; K543-V545 PolarHBondContact O-N 2.93Å; V545-L547 PolarHBondContact O-N 3.08Å; V545-A548 PolarHBondContact O-N 2.77Å; V545-Y549 HydrophobicContact CG1-CD2 3.51Å; V545-Y549 HydrophobicContact CG1-CE2 3.21Å; V545-Y549 WeakPolarHBondContact O-CD2 3Å; V545-Y549 PolarHBondContact O-N 3.08Å; V545-Y561 HydrophobicContact CG1-CD1 3.83Å; V545-Y561 HydrophobicContact CG1-CD2 4.21Å; V545-Y561 HydrophobicContact CG1-CE1 4.01Å; V545-Y561 HydrophobicContact CG1-CE2 4.39Å; V545-Y561 HydrophobicContact CG1-CG 3.93Å |
| 546 | A | 62.5 | Low | 58.6 | Low | 7 Ų | 7 | 37.2 Ų | 37.2 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -37.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N542 K543 Y549 E550 S558 A562 | N542-A546 WeakPolarHBondContact O-CB 3.15Å; N542-A546 PolarHBondContact O-N 3.34Å; K543-A546 PolarHBondContact O-N 2.92Å; A546-Y549 PolarHBondContact O-N 3.44Å; A546-E550 WeakPolarHBondContact O-CB 3.09Å; A546-E550 PolarHBondContact O-N 2.84Å; A546-S558 WeakPolarHBondContact CB-O 3.36Å; A546-S558 WeakPolarHBondContact O-CB 3.48Å; A546-S558 PolarHBondContact O-OG 3.2Å; A546-A562 HydrophobicContact CB-CB 4.34Å |
| 547 | L | 64.4 | Low | 59.1 | Low | 72 Ų | 72 | 35.5 Ų | 35.5 | 38% | 0.377 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.4 | -49 | 172.7 | -170.9 | 72.7 | 0 | 0 | 0 | 111.1 | K543 E544 V545 Y549 E550 Q551 | K543-L547 PolarHBondContact O-N 3.2Å; E544-L547 WeakPolarHBondContact O-CB 3.38Å; E544-L547 PolarHBondContact O-N 3.35Å; V545-L547 PolarHBondContact O-N 3.08Å; L547-Y549 VanDerWaalsContact C-N 3.3Å; L547-Y549 PolarHBondContact O-N 2.68Å; L547-E550 WeakPolarHBondContact O-CB 2.84Å; L547-E550 PolarHBondContact O-N 3.08Å; L547-E550 VanDerWaalsContact O-N 3.08Å; L547-Q551 WeakPolarHBondContact O-CG 3.39Å; L547-Q551 PolarHBondContact O-N 3.45Å |
| 548 | A | 66.1 | Low | 59.6 | Low | 3 Ų | 3 | 35.6 Ų | 35.6 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.7 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N359 V363 E544 V545 Q551 A552 | N359-A548 HydrophobicContact CB-CB 4.47Å; V363-A548 HydrophobicContact CG2-CB 4.01Å; E544-A548 PolarHBondContact O-N 3.2Å; V545-A548 PolarHBondContact O-N 2.77Å; A548-Q551 PolarHBondContact O-N 3.44Å; A548-A552 PolarHBondContact O-N 3.3Å; A548-A552 VanDerWaalsContact O-N 3.1Å |
| 549 | Y | 66.4 | Low | 59.6 | Low | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 174.3 | -79.8 | -60 | 0 | 0 | 0 | 113.1 | L276 L279 Y367 V545 A546 L547 A552 G553 L554 F557 Y561 | L276-Y549 HydrophobicContact CD2-CD1 3.89Å; L276-Y549 HydrophobicContact CD2-CE1 3.55Å; L279-Y549 HydrophobicContact CD2-CE1 3.91Å; L279-Y549 WeakPolarHBondContact CD2-OH 3.43Å; Y367-Y549 PolarHBondContact OH-OH 3.23Å; Y367-Y549 VanDerWaalsContact OH-OH 3.12Å; V545-Y549 HydrophobicContact CG1-CD2 3.51Å; V545-Y549 HydrophobicContact CG1-CE2 3.21Å; V545-Y549 WeakPolarHBondContact O-CD2 3Å; V545-Y549 PolarHBondContact O-N 3.08Å; A546-Y549 PolarHBondContact O-N 3.44Å; L547-Y549 VanDerWaalsContact C-N 3.3Å; L547-Y549 PolarHBondContact O-N 2.68Å; Y549-A552 PolarHBondContact O-N 2.84Å; Y549-G553 PolarHBondContact O-N 3.41Å; Y549-L554 HydrophobicContact CD1-CB 3.93Å; Y549-L554 HydrophobicContact CD1-CD1 3.82Å; Y549-L554 HydrophobicContact CD1-CG 4.45Å; Y549-L554 HydrophobicContact CE1-CD1 4.17Å; Y549-L554 WeakPolarHBondContact O-CA 3.39Å; Y549-L554 WeakPolarHBondContact O-CB 3.27Å; Y549-L554 PolarHBondContact O-N 3.28Å; Y549-F557 HydrophobicContact CD1-CB 3.58Å; Y549-F557 HydrophobicContact CD1-CG 4.29Å; Y549-F557 HydrophobicContact CD2-CB 4.02Å; Y549-F557 HydrophobicContact CE1-CB 3.96Å; Y549-F557 HydrophobicContact CE1-CG 4.29Å; Y549-F557 HydrophobicContact CE2-CB 4.36Å; Y549-F557 HydrophobicContact CG-CB 3.64Å; Y549-Y561 AromaticContact CD2-CD2 3.67Å; Y549-Y561 HydrophobicContact CD2-CD2 3.67Å; Y549-Y561 HydrophobicContact CD2-CE2 4.03Å; Y549-Y561 HydrophobicContact CD2-CG 4.35Å; Y549-Y561 AromaticContact CE2-CD2 3.32Å; Y549-Y561 HydrophobicContact CE2-CD2 3.32Å; Y549-Y561 AromaticContact CE2-CE2 3.2Å; Y549-Y561 HydrophobicContact CE2-CE2 3.2Å; Y549-Y561 HydrophobicContact CE2-CG 4.15Å; Y549-Y561 AromaticContact CE2-CZ 3.93Å; Y549-Y561 AromaticContact CZ-CE2 3.77Å |
| 550 | E | 65.5 | Low | 59.6 | Low | 94 Ų | 94 | 39.4 Ų | 39.4 | 44% | 0.439 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65 | -41.6 | 177.4 | -172.8 | 178.9 | 177.2 | 0 | 0 | 111.6 | R234 A546 L547 A552 G553 | R234-E550 PolarHBondContact NE-O 2.9Å; R234-E550 PolarHBondContact NH2-O 3.43Å; A546-E550 WeakPolarHBondContact O-CB 3.09Å; A546-E550 PolarHBondContact O-N 2.84Å; L547-E550 WeakPolarHBondContact O-CB 2.84Å; L547-E550 PolarHBondContact O-N 3.08Å; L547-E550 VanDerWaalsContact O-N 3.08Å; E550-A552 VanDerWaalsContact C-N 3.3Å; E550-A552 PolarHBondContact O-N 2.91Å; E550-G553 PolarHBondContact O-N 3.21Å |
| 551 | Q | 65.4 | Low | 59.4 | Low | 42 Ų | 42 | 37.5 Ų | 37.5 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 174.5 | -68.6 | -167.4 | -0.1 | 0 | 0 | 111.3 | E355 N359 L547 A548 G553 | E355-Q551 PolarHBondContact OE1-NE2 2.98Å; N359-Q551 PolarHBondContact ND2-OE1 3.01Å; L547-Q551 WeakPolarHBondContact O-CG 3.39Å; L547-Q551 PolarHBondContact O-N 3.45Å; A548-Q551 PolarHBondContact O-N 3.44Å; Q551-G553 PolarHBondContact O-N 3.32Å; Q551-G553 VanDerWaalsContact O-N 3.13Å |
| 552 | A | 65.7 | Low | 59.1 | Low | 2 Ų | 2 | 38.8 Ų | 38.8 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -1.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A233 L273 L276 A548 Y549 E550 L554 | A233-A552 WeakPolarHBondContact CB-O 3.36Å; L273-A552 HydrophobicContact CD1-CB 3.52Å; L276-A552 HydrophobicContact CB-CB 3.82Å; L276-A552 HydrophobicContact CD1-CB 3.43Å; L276-A552 VanDerWaalsContact CD1-CB 3.43Å; L276-A552 HydrophobicContact CG-CB 4.25Å; A548-A552 PolarHBondContact O-N 3.3Å; A548-A552 VanDerWaalsContact O-N 3.1Å; Y549-A552 PolarHBondContact O-N 2.84Å; E550-A552 VanDerWaalsContact C-N 3.3Å; E550-A552 PolarHBondContact O-N 2.91Å; A552-L554 VanDerWaalsContact C-N 3.25Å; A552-L554 HydrophobicContact CB-CD1 4.36Å; A552-L554 HydrophobicContact CB-CG 4.11Å; A552-L554 PolarHBondContact O-N 2.91Å |
| 553 | G | 60.2 | Low | 58.3 | Low | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 10.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A233 R234 Y549 E550 Q551 I555 | A233-G553 CarbonylContact C-O 3.55Å; A233-G553 VanDerWaalsContact C-O 3.24Å; R234-G553 VanDerWaalsContact CA-O 3.29Å; R234-G553 WeakPolarHBondContact CA-O 2.82Å; R234-G553 PolarHBondContact N-O 3.41Å; Y549-G553 PolarHBondContact O-N 3.41Å; E550-G553 PolarHBondContact O-N 3.21Å; Q551-G553 PolarHBondContact O-N 3.32Å; Q551-G553 VanDerWaalsContact O-N 3.13Å; G553-I555 PolarHBondContact O-N 2.66Å |
| 554 | L | 62.5 | Low | 57.5 | Low | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | trans | -87 | 59.3 | 180 | -57 | -172.8 | 0 | 0 | 0 | 110.3 | L276 R280 Y549 A552 R556 F557 S558 | L276-L554 VanDerWaalsContact C-CD1 3.47Å; L276-L554 HydrophobicContact CB-CD1 3.78Å; L276-L554 WeakPolarHBondContact O-CD1 3.01Å; R280-L554 HydrophobicContact CB-CD1 4Å; R280-L554 HydrophobicContact CB-CD2 3.93Å; R280-L554 VanDerWaalsContact CD-CD2 3.42Å; R280-L554 HydrophobicContact CG-CD1 4.46Å; R280-L554 HydrophobicContact CG-CD2 3.71Å; Y549-L554 HydrophobicContact CD1-CB 3.93Å; Y549-L554 HydrophobicContact CD1-CD1 3.82Å; Y549-L554 HydrophobicContact CD1-CG 4.45Å; Y549-L554 HydrophobicContact CE1-CD1 4.17Å; Y549-L554 WeakPolarHBondContact O-CA 3.39Å; Y549-L554 WeakPolarHBondContact O-CB 3.27Å; Y549-L554 PolarHBondContact O-N 3.28Å; A552-L554 VanDerWaalsContact C-N 3.25Å; A552-L554 HydrophobicContact CB-CD1 4.36Å; A552-L554 HydrophobicContact CB-CG 4.11Å; A552-L554 PolarHBondContact O-N 2.91Å; L554-R556 PolarHBondContact O-N 3.33Å; L554-R556 VanDerWaalsContact O-N 3.12Å; L554-F557 HydrophobicContact CB-CB 4.15Å; L554-F557 HydrophobicContact CB-CD2 4Å; L554-F557 HydrophobicContact CB-CG 4.46Å; L554-F557 WeakPolarHBondContact O-CA 3.47Å; L554-F557 WeakPolarHBondContact O-CB 3.48Å; L554-F557 PolarHBondContact O-N 2.89Å; L554-S558 PolarHBondContact O-N 3.46Å | ||
| 555 | I | 57.6 | Low | 56.4 | Low | 77 Ų | 77 | 39.7 Ų | 39.7 | 40% | 0.395 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -54.8 | -38.4 | -171.5 | -60 | 171.7 | 0 | 0 | 0 | 111.8 | R234 G553 F557 S558 L559 | R234-I555 HydrophobicContact CB-CD1 4.26Å; R234-I555 HydrophobicContact CG-CD1 4.37Å; G553-I555 PolarHBondContact O-N 2.66Å; I555-F557 VanDerWaalsContact C-N 3.3Å; I555-F557 PolarHBondContact O-N 3.36Å; I555-S558 PolarHBondContact O-N 3.38Å; I555-L559 HydrophobicContact CG2-CD1 3.9Å; I555-L559 HydrophobicContact CG2-CG 4.24Å; I555-L559 WeakPolarHBondContact O-CB 3.44Å; I555-L559 VanDerWaalsContact O-CG 3.24Å; I555-L559 WeakPolarHBondContact O-CG 3.41Å; I555-L559 PolarHBondContact O-N 3.07Å |
| 556 | R | 49.5 | Very low | 55.2 | Low | 177 Ų | 177 | 40.2 Ų | 40.2 | 67% | 0.668 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -62.6 | -36.1 | 176.4 | -71.5 | -173.6 | -178.7 | 173.9 | 2 | 112.9 | L554 A560 | L554-R556 PolarHBondContact O-N 3.33Å; L554-R556 VanDerWaalsContact O-N 3.12Å; R556-A560 VanDerWaalsContact O-CB 3.25Å; R556-A560 WeakPolarHBondContact O-CB 3.47Å; R556-A560 PolarHBondContact O-N 2.62Å |
| 557 | F | 55.3 | Low | 53.9 | Low | 22 Ų | 22 | 40.3 Ų | 40.3 | 10% | 0.096 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -75.6 | -43.3 | 177.6 | -72.3 | -84.9 | 0 | 0 | 0 | 111.1 | R280 I283 Y549 L554 I555 L559 A560 Y561 | R280-F557 HydrophobicContact CB-CE2 4.09Å; R280-F557 HydrophobicContact CG-CD2 4.08Å; R280-F557 HydrophobicContact CG-CE2 3.4Å; R280-F557 VanDerWaalsContact CG-CE2 3.4Å; R280-F557 HydrophobicContact CG-CZ 4.22Å; I283-F557 HydrophobicContact CB-CE1 3.95Å; I283-F557 HydrophobicContact CB-CZ 3.69Å; I283-F557 HydrophobicContact CD1-CD1 4.29Å; I283-F557 HydrophobicContact CD1-CE1 3.37Å; I283-F557 HydrophobicContact CD1-CZ 3.9Å; I283-F557 HydrophobicContact CG1-CE1 4.23Å; I283-F557 HydrophobicContact CG1-CZ 4.39Å; I283-F557 HydrophobicContact CG2-CE1 3.58Å; I283-F557 HydrophobicContact CG2-CZ 3.46Å; I283-F557 VanDerWaalsContact CG2-CZ 3.46Å; Y549-F557 HydrophobicContact CD1-CB 3.58Å; Y549-F557 HydrophobicContact CD1-CG 4.29Å; Y549-F557 HydrophobicContact CD2-CB 4.02Å; Y549-F557 HydrophobicContact CE1-CB 3.96Å; Y549-F557 HydrophobicContact CE1-CG 4.29Å; Y549-F557 HydrophobicContact CE2-CB 4.36Å; Y549-F557 HydrophobicContact CG-CB 3.64Å; L554-F557 HydrophobicContact CB-CB 4.15Å; L554-F557 HydrophobicContact CB-CD2 4Å; L554-F557 HydrophobicContact CB-CG 4.46Å; L554-F557 WeakPolarHBondContact O-CA 3.47Å; L554-F557 WeakPolarHBondContact O-CB 3.48Å; L554-F557 PolarHBondContact O-N 2.89Å; I555-F557 VanDerWaalsContact C-N 3.3Å; I555-F557 PolarHBondContact O-N 3.36Å; F557-L559 VanDerWaalsContact C-N 3.31Å; F557-L559 PolarHBondContact O-N 3.35Å; F557-A560 PolarHBondContact O-N 3.41Å; F557-A560 VanDerWaalsContact O-N 3.1Å; F557-Y561 WeakPolarHBondContact O-CD2 3.45Å; F557-Y561 PolarHBondContact O-N 3.48Å |
| 558 | S | 57.2 | Low | 52.6 | Low | 12 Ų | 12 | 38.4 Ų | 38.4 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52.8 | -51 | 171.8 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | A546 L554 I555 A560 Y561 A562 | A546-S558 WeakPolarHBondContact CB-O 3.36Å; A546-S558 WeakPolarHBondContact O-CB 3.48Å; A546-S558 PolarHBondContact O-OG 3.2Å; L554-S558 PolarHBondContact O-N 3.46Å; I555-S558 PolarHBondContact O-N 3.38Å; S558-A560 PolarHBondContact O-N 3.46Å; S558-Y561 PolarHBondContact O-N 2.97Å; S558-A562 WeakPolarHBondContact O-CB 3.31Å; S558-A562 PolarHBondContact O-N 3.1Å |
| 559 | L | 49.5 | Very low | 51.1 | Low | 95 Ų | 95 | 39.6 Ų | 39.6 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.8 | -42 | 175.4 | -69.7 | 172.1 | 0 | 0 | 0 | 112.1 | I555 F557 A562 D563 | I555-L559 HydrophobicContact CG2-CD1 3.9Å; I555-L559 HydrophobicContact CG2-CG 4.24Å; I555-L559 WeakPolarHBondContact O-CB 3.44Å; I555-L559 VanDerWaalsContact O-CG 3.24Å; I555-L559 WeakPolarHBondContact O-CG 3.41Å; I555-L559 PolarHBondContact O-N 3.07Å; F557-L559 VanDerWaalsContact C-N 3.31Å; F557-L559 PolarHBondContact O-N 3.35Å; L559-A562 PolarHBondContact O-N 3.46Å; L559-D563 WeakPolarHBondContact O-CB 3.01Å; L559-D563 VanDerWaalsContact O-CG 3.26Å; L559-D563 PolarHBondContact O-N 3.45Å |
| 560 | A | 48.1 | Very low | 49.5 | Very low | 47 Ų | 47 | 41.1 Ų | 41.1 | 39% | 0.388 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R556 F557 S558 D563 E564 | R556-A560 VanDerWaalsContact O-CB 3.25Å; R556-A560 WeakPolarHBondContact O-CB 3.47Å; R556-A560 PolarHBondContact O-N 2.62Å; F557-A560 PolarHBondContact O-N 3.41Å; F557-A560 VanDerWaalsContact O-N 3.1Å; S558-A560 PolarHBondContact O-N 3.46Å; A560-D563 CarbonylContact O-C 3.24Å; A560-D563 PolarHBondContact O-N 3.31Å; A560-E564 VanDerWaalsContact O-CB 3.26Å; A560-E564 WeakPolarHBondContact O-CB 3.48Å; A560-E564 PolarHBondContact O-N 2.94Å |
| 561 | Y | 51 | Low | 48 | Very low | 5 Ų | 5 | 44.3 Ų | 44.3 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.7 | -37.9 | 177.4 | -85.9 | -86.9 | 0 | 0 | 0 | 111.9 | P292 L366 N542 V545 Y549 F557 S558 E564 G565 | P292-Y561 HydrophobicContact CG-CE1 4.21Å; L366-Y561 HydrophobicContact CD1-CE1 4.1Å; L366-Y561 HydrophobicContact CD2-CE1 3.93Å; N542-Y561 WeakPolarHBondContact OD1-CD1 3.37Å; V545-Y561 HydrophobicContact CG1-CD1 3.83Å; V545-Y561 HydrophobicContact CG1-CD2 4.21Å; V545-Y561 HydrophobicContact CG1-CE1 4.01Å; V545-Y561 HydrophobicContact CG1-CE2 4.39Å; V545-Y561 HydrophobicContact CG1-CG 3.93Å; Y549-Y561 AromaticContact CD2-CD2 3.67Å; Y549-Y561 HydrophobicContact CD2-CD2 3.67Å; Y549-Y561 HydrophobicContact CD2-CE2 4.03Å; Y549-Y561 HydrophobicContact CD2-CG 4.35Å; Y549-Y561 AromaticContact CE2-CD2 3.32Å; Y549-Y561 HydrophobicContact CE2-CD2 3.32Å; Y549-Y561 AromaticContact CE2-CE2 3.2Å; Y549-Y561 HydrophobicContact CE2-CE2 3.2Å; Y549-Y561 HydrophobicContact CE2-CG 4.15Å; Y549-Y561 AromaticContact CE2-CZ 3.93Å; Y549-Y561 AromaticContact CZ-CE2 3.77Å; F557-Y561 WeakPolarHBondContact O-CD2 3.45Å; F557-Y561 PolarHBondContact O-N 3.48Å; S558-Y561 PolarHBondContact O-N 2.97Å; Y561-E564 PolarHBondContact O-N 3.12Å; Y561-G565 PolarHBondContact O-N 3.39Å |
| 562 | A | 48.6 | Very low | 46.7 | Very low | 37 Ų | 37 | 46.8 Ų | 46.8 | 31% | 0.306 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | A546 S558 L559 L566 | A546-A562 HydrophobicContact CB-CB 4.34Å; S558-A562 WeakPolarHBondContact O-CB 3.31Å; S558-A562 PolarHBondContact O-N 3.1Å; L559-A562 PolarHBondContact O-N 3.46Å; A562-L566 WeakPolarHBondContact O-CB 3.07Å; A562-L566 PolarHBondContact O-N 3.15Å; A562-L566 VanDerWaalsContact O-N 3.1Å |
| 563 | D | 41.4 | Very low | 45 | Very low | 71 Ų | 71 | 50.5 Ų | 50.5 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.2 | -33.4 | 176.6 | -80.7 | -11.6 | 0 | 0 | 0 | 112 | L559 A560 L566 S567 F611 | L559-D563 WeakPolarHBondContact O-CB 3.01Å; L559-D563 VanDerWaalsContact O-CG 3.26Å; L559-D563 PolarHBondContact O-N 3.45Å; A560-D563 CarbonylContact O-C 3.24Å; A560-D563 PolarHBondContact O-N 3.31Å; D563-L566 CarbonylContact O-C 3.3Å; D563-L566 PolarHBondContact O-N 3.17Å; D563-S567 WeakPolarHBondContact O-CA 3.34Å; D563-S567 VanDerWaalsContact O-CB 3.24Å; D563-S567 WeakPolarHBondContact O-CB 3.48Å; D563-S567 PolarHBondContact O-N 3.18Å; D563-F611 HydrophobicContact CB-CE2 4.3Å; D563-F611 VanDerWaalsContact O-CE2 3.27Å; D563-F611 WeakPolarHBondContact O-CE2 3.45Å |
| 564 | E | 43.2 | Very low | 43.7 | Very low | 59 Ų | 59 | 53.6 Ų | 53.6 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -78.8 | -39.5 | 178.9 | -91.5 | -153.9 | 151.4 | 0 | 0 | 113 | P292 A560 Y561 L566 S567 L568 | P292-E564 WeakPolarHBondContact CD-OE2 3.16Å; P292-E564 WeakPolarHBondContact CG-OE2 3.47Å; A560-E564 VanDerWaalsContact O-CB 3.26Å; A560-E564 WeakPolarHBondContact O-CB 3.48Å; A560-E564 PolarHBondContact O-N 2.94Å; Y561-E564 PolarHBondContact O-N 3.12Å; E564-L566 PolarHBondContact O-N 3.3Å; E564-S567 VanDerWaalsContact O-CB 3.27Å; E564-S567 WeakPolarHBondContact O-CB 3.48Å; E564-S567 PolarHBondContact O-N 3.48Å; E564-S567 VanDerWaalsContact O-N 3.12Å; E564-L568 PolarHBondContact O-N 3.39Å |
| 565 | G | 39.9 | Very low | 42.2 | Very low | 7 Ų | 7 | 58 Ų | 58 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -53.7 | -46.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L539 N542 Y561 L568 S569 | L539-G565 VanDerWaalsContact CD2-CA 3.5Å; L539-G565 WeakPolarHBondContact CD2-O 3.05Å; N542-G565 WeakPolarHBondContact ND2-CA 3.19Å; N542-G565 PolarHBondContact ND2-N 2.83Å; Y561-G565 PolarHBondContact O-N 3.39Å; G565-L568 PolarHBondContact O-N 3.22Å; G565-S569 WeakPolarHBondContact O-CB 3.29Å; G565-S569 PolarHBondContact O-N 2.83Å; G565-S569 PolarHBondContact O-OG 3.18Å |
| 566 | L | 39 | Very low | 41.2 | Very low | 11 Ų | 11 | 60.5 Ų | 60.5 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 175.1 | -166.8 | 68.2 | 0 | 0 | 0 | 113 | A562 D563 E564 L568 S569 L570 L604 A607 F611 | A562-L566 WeakPolarHBondContact O-CB 3.07Å; A562-L566 PolarHBondContact O-N 3.15Å; A562-L566 VanDerWaalsContact O-N 3.1Å; D563-L566 CarbonylContact O-C 3.3Å; D563-L566 PolarHBondContact O-N 3.17Å; E564-L566 PolarHBondContact O-N 3.3Å; L566-L568 PolarHBondContact O-N 3.2Å; L566-S569 CarbonylContact O-C 3.59Å; L566-S569 WeakPolarHBondContact O-CA 3.43Å; L566-S569 WeakPolarHBondContact O-CB 3.38Å; L566-S569 PolarHBondContact O-N 2.86Å; L566-S569 VanDerWaalsContact O-N 3.16Å; L566-L570 HydrophobicContact CD1-CD1 4.33Å; L566-L570 HydrophobicContact CD1-CG 4.46Å; L566-L570 HydrophobicContact CD2-CD1 4.08Å; L566-L570 HydrophobicContact CG-CD1 3.68Å; L566-L570 HydrophobicContact CG-CG 4.21Å; L566-L570 VanDerWaalsContact O-CB 3.29Å; L566-L570 WeakPolarHBondContact O-CB 3.43Å; L566-L570 WeakPolarHBondContact O-CG 3.45Å; L566-L570 PolarHBondContact O-N 3.02Å; L566-L604 HydrophobicContact CD1-CD2 3.73Å; L566-L604 HydrophobicContact CD2-CD2 4.3Å; L566-L604 HydrophobicContact CD2-CG 4.18Å; L566-A607 HydrophobicContact CD2-CB 3.97Å; L566-F611 HydrophobicContact CB-CE2 4.5Å; L566-F611 HydrophobicContact CD2-CD2 3.93Å; L566-F611 HydrophobicContact CD2-CE2 4.39Å; L566-F611 HydrophobicContact CD2-CG 4.48Å; L566-F611 HydrophobicContact CG-CD2 4.49Å |
| 567 | S | 35.2 | Very low | 40.4 | Very low | 9 Ų | 9 | 59.8 Ų | 59.8 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.5 | -49 | 175.3 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | D563 E564 L570 R571 F611 | D563-S567 WeakPolarHBondContact O-CA 3.34Å; D563-S567 VanDerWaalsContact O-CB 3.24Å; D563-S567 WeakPolarHBondContact O-CB 3.48Å; D563-S567 PolarHBondContact O-N 3.18Å; E564-S567 VanDerWaalsContact O-CB 3.27Å; E564-S567 WeakPolarHBondContact O-CB 3.48Å; E564-S567 PolarHBondContact O-N 3.48Å; E564-S567 VanDerWaalsContact O-N 3.12Å; S567-L570 PolarHBondContact O-N 2.89Å; S567-R571 VanDerWaalsContact O-CB 3.26Å; S567-R571 WeakPolarHBondContact O-CB 3.48Å; S567-R571 WeakPolarHBondContact O-CG 3.33Å; S567-R571 PolarHBondContact O-N 3.29Å; S567-R571 PolarHBondContact OG-NE 2.71Å; S567-R571 PolarHBondContact OG-NH2 3.2Å; S567-F611 VanDerWaalsContact CB-CZ 3.44Å |
| 568 | L | 37.2 | Very low | 39.4 | Very low | 32 Ų | 32 | 60 Ų | 60 | 17% | 0.168 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 176.1 | -118.4 | 84.9 | 0 | 0 | 0 | 109.7 | Y538 E564 G565 L566 L570 R571 F572 | Y538-L568 HydrophobicContact CD1-CD2 3.76Å; Y538-L568 HydrophobicContact CE1-CD1 4.18Å; Y538-L568 HydrophobicContact CE1-CD2 3.9Å; Y538-L568 HydrophobicContact CE1-CG 4.49Å; E564-L568 PolarHBondContact O-N 3.39Å; G565-L568 PolarHBondContact O-N 3.22Å; L566-L568 PolarHBondContact O-N 3.2Å; L568-L570 VanDerWaalsContact C-N 3.26Å; L568-L570 PolarHBondContact O-N 3.35Å; L568-R571 PolarHBondContact O-N 3.43Å; L568-F572 HydrophobicContact CB-CE2 4.38Å; L568-F572 HydrophobicContact CD2-CE2 3.8Å; L568-F572 HydrophobicContact CG-CD2 4.34Å; L568-F572 HydrophobicContact CG-CE2 3.74Å; L568-F572 WeakPolarHBondContact O-CD2 3.48Å; L568-F572 PolarHBondContact O-N 2.84Å; L568-F572 VanDerWaalsContact O-N 3.1Å |
| 569 | S | 35.1 | Very low | 38.3 | Very low | 28 Ų | 28 | 63.4 Ų | 63.4 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.5 | -41.1 | 177.1 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | L539 G565 L566 | L539-S569 VanDerWaalsContact CD1-OG 3.25Å; L539-S569 WeakPolarHBondContact CD1-OG 3.47Å; L539-S569 WeakPolarHBondContact CD2-OG 3.46Å; G565-S569 WeakPolarHBondContact O-CB 3.29Å; G565-S569 PolarHBondContact O-N 2.83Å; G565-S569 PolarHBondContact O-OG 3.18Å; L566-S569 CarbonylContact O-C 3.59Å; L566-S569 WeakPolarHBondContact O-CA 3.43Å; L566-S569 WeakPolarHBondContact O-CB 3.38Å; L566-S569 PolarHBondContact O-N 2.86Å; L566-S569 VanDerWaalsContact O-N 3.16Å |
| 570 | L | 33.2 | Very low | 37.5 | Very low | 34 Ų | 34 | 61.3 Ų | 61.3 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -79.3 | -34.1 | -178.9 | -71.2 | 170.3 | 0 | 0 | 0 | 112.4 | L566 S567 L568 F572 S573 L578 F608 F611 | L566-L570 HydrophobicContact CD1-CD1 4.33Å; L566-L570 HydrophobicContact CD1-CG 4.46Å; L566-L570 HydrophobicContact CD2-CD1 4.08Å; L566-L570 HydrophobicContact CG-CD1 3.68Å; L566-L570 HydrophobicContact CG-CG 4.21Å; L566-L570 VanDerWaalsContact O-CB 3.29Å; L566-L570 WeakPolarHBondContact O-CB 3.43Å; L566-L570 WeakPolarHBondContact O-CG 3.45Å; L566-L570 PolarHBondContact O-N 3.02Å; S567-L570 PolarHBondContact O-N 2.89Å; L568-L570 VanDerWaalsContact C-N 3.26Å; L568-L570 PolarHBondContact O-N 3.35Å; L570-F572 VanDerWaalsContact C-N 3.26Å; L570-F572 PolarHBondContact O-N 2.82Å; L570-S573 PolarHBondContact O-N 2.84Å; L570-L578 HydrophobicContact CD2-CD2 4.12Å; L570-F608 HydrophobicContact CD2-CZ 4.47Å; L570-F611 HydrophobicContact CB-CD1 4.28Å; L570-F611 HydrophobicContact CB-CE1 4.16Å; L570-F611 HydrophobicContact CD1-CB 3.84Å; L570-F611 HydrophobicContact CD1-CD1 3.01Å; L570-F611 HydrophobicContact CD1-CD2 3.99Å; L570-F611 HydrophobicContact CD1-CE1 3.49Å; L570-F611 VanDerWaalsContact CD1-CE1 3.49Å; L570-F611 HydrophobicContact CD1-CE2 4.39Å; L570-F611 HydrophobicContact CD1-CG 3.29Å; L570-F611 HydrophobicContact CD1-CZ 4.19Å; L570-F611 HydrophobicContact CG-CD1 4.23Å; L570-F611 HydrophobicContact CG-CE1 4.44Å |
| 571 | R | 33.3 | Very low | 36.8 | Very low | 160 Ų | 160 | 62.3 Ų | 62.3 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.2 | -23.6 | 174.7 | -77.1 | 178.6 | -154.3 | -143.9 | 8 | 112.8 | S567 L568 S573 | S567-R571 VanDerWaalsContact O-CB 3.26Å; S567-R571 WeakPolarHBondContact O-CB 3.48Å; S567-R571 WeakPolarHBondContact O-CG 3.33Å; S567-R571 PolarHBondContact O-N 3.29Å; S567-R571 PolarHBondContact OG-NE 2.71Å; S567-R571 PolarHBondContact OG-NH2 3.2Å; L568-R571 PolarHBondContact O-N 3.43Å; R571-S573 VanDerWaalsContact C-N 3.33Å |
| 572 | F | 37.3 | Very low | 36.1 | Very low | 95 Ų | 95 | 63.6 Ų | 63.6 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 15 | 179.8 | -69.2 | -59.1 | 0 | 0 | 0 | 115.2 | I535 L568 L570 | I535-F572 HydrophobicContact CD1-CD2 4.14Å; I535-F572 HydrophobicContact CD1-CE2 4Å; I535-F572 HydrophobicContact CD1-CZ 4.36Å; I535-F572 HydrophobicContact CG1-CE2 4.27Å; L568-F572 HydrophobicContact CB-CE2 4.38Å; L568-F572 HydrophobicContact CD2-CE2 3.8Å; L568-F572 HydrophobicContact CG-CD2 4.34Å; L568-F572 HydrophobicContact CG-CE2 3.74Å; L568-F572 WeakPolarHBondContact O-CD2 3.48Å; L568-F572 PolarHBondContact O-N 2.84Å; L568-F572 VanDerWaalsContact O-N 3.1Å; L570-F572 VanDerWaalsContact C-N 3.26Å; L570-F572 PolarHBondContact O-N 2.82Å |
| 573 | S | 31.3 | Very low | 35.4 | Very low | 80 Ų | 80 | 63.6 Ų | 63.6 | 56% | 0.559 | 35% | 0.349 | S | S | * | . | trans | 33.1 | 86.3 | 154.7 | -59 | 0 | 0 | 0 | 0 | 117.9 | L570 R571 | L570-S573 PolarHBondContact O-N 2.84Å; R571-S573 VanDerWaalsContact C-N 3.33Å | ||
| 574 | S | 32.5 | Very low | 34.9 | Very low | 66 Ų | 66 | 63.1 Ų | 63.1 | 46% | 0.462 | 35% | 0.346 | S | S | . | . | trans | -160.7 | 112.7 | 136.9 | 174 | 0 | 0 | 0 | 0 | 108.4 | N576 W577 | S574-N576 PolarHBondContact O-N 3.43Å; S574-N576 VanDerWaalsContact O-N 3.11Å; S574-W577 PolarHBondContact O-N 3.48Å | ||
| 575 | P | 31.9 | Very low | 34.4 | Very low | 94 Ų | 94 | 62.6 Ų | 62.6 | 61% | 0.61 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59.3 | -25.6 | -175.2 | -22 | 31.3 | 0 | 0 | 0 | 113.5 | L578 C579 | P575-L578 PolarHBondContact O-N 2.79Å; P575-C579 VanDerWaalsContact O-CB 3.3Å; P575-C579 WeakPolarHBondContact O-CB 3.28Å; P575-C579 PolarHBondContact O-N 3.1Å; P575-C579 PolarHBondContact O-SG 2.73Å |
| 576 | N | 34.9 | Very low | 34.1 | Very low | 130 Ų | 130 | 66.2 Ų | 66.2 | 70% | 0.695 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -74.7 | -36.4 | -171.1 | -64.5 | -15.5 | 0 | 0 | 0 | 112.8 | S574 A580 | S574-N576 PolarHBondContact O-N 3.43Å; S574-N576 VanDerWaalsContact O-N 3.11Å; N576-A580 WeakPolarHBondContact O-CB 3.28Å; N576-A580 PolarHBondContact O-N 2.93Å; N576-A580 VanDerWaalsContact O-N 3.1Å |
| 577 | W | 34.1 | Very low | 33.8 | Very low | 162 Ų | 162 | 69.2 Ų | 69.2 | 61% | 0.614 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -76 | -35.8 | 173.9 | -165.8 | 80.9 | 0 | 0 | 0 | 111.1 | S574 A580 F581 | S574-W577 PolarHBondContact O-N 3.48Å; W577-A580 PolarHBondContact O-N 3.3Å; W577-F581 HydrophobicContact CD2-CB 4.37Å; W577-F581 HydrophobicContact CE3-CB 4.09Å; W577-F581 HydrophobicContact CH2-CB 4.22Å; W577-F581 HydrophobicContact CH2-CD1 4.44Å; W577-F581 AromaticContact CH2-CD2 3.8Å; W577-F581 HydrophobicContact CH2-CD2 3.8Å; W577-F581 HydrophobicContact CH2-CE2 4.28Å; W577-F581 AromaticContact CH2-CG 3.9Å; W577-F581 HydrophobicContact CH2-CG 3.9Å; W577-F581 HydrophobicContact CZ2-CB 4.47Å; W577-F581 HydrophobicContact CZ2-CD2 4.1Å; W577-F581 HydrophobicContact CZ2-CG 4.42Å; W577-F581 HydrophobicContact CZ3-CB 4.01Å; W577-F581 HydrophobicContact CZ3-CD1 4.28Å; W577-F581 HydrophobicContact CZ3-CD2 4.35Å; W577-F581 AromaticContact CZ3-CG 3.96Å; W577-F581 HydrophobicContact CZ3-CG 3.96Å; W577-F581 VanDerWaalsContact O-CB 3.22Å; W577-F581 WeakPolarHBondContact O-CB 3.5Å; W577-F581 PolarHBondContact O-N 2.91Å |
| 578 | L | 34.2 | Very low | 33.7 | Very low | 26 Ų | 26 | 72.3 Ų | 72.3 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 175.3 | -170.8 | 68.6 | 0 | 0 | 0 | 111.4 | L570 P575 A580 F581 L582 F608 | L570-L578 HydrophobicContact CD2-CD2 4.12Å; P575-L578 PolarHBondContact O-N 2.79Å; L578-A580 VanDerWaalsContact C-N 3.34Å; L578-A580 PolarHBondContact O-N 3.39Å; L578-F581 PolarHBondContact O-N 3.5Å; L578-L582 HydrophobicContact CD1-CD1 4.06Å; L578-L582 HydrophobicContact CD1-CG 3.94Å; L578-L582 HydrophobicContact CD2-CD1 4.1Å; L578-L582 HydrophobicContact CG-CD1 3.64Å; L578-L582 HydrophobicContact CG-CG 3.96Å; L578-L582 WeakPolarHBondContact O-CA 2.98Å; L578-L582 WeakPolarHBondContact O-CB 3.18Å; L578-L582 WeakPolarHBondContact O-CG 3.17Å; L578-L582 PolarHBondContact O-N 2.81Å; L578-F608 HydrophobicContact CD2-CE2 4.4Å; L578-F608 HydrophobicContact CD2-CZ 4.05Å |
| 579 | C | 32.7 | Very low | 33.4 | Very low | 84 Ų | 84 | 72.3 Ų | 72.3 | 57% | 0.568 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.2 | -38.7 | 173.2 | -72.5 | 0 | 0 | 0 | 0 | 111.8 | P575 G583 | P575-C579 VanDerWaalsContact O-CB 3.3Å; P575-C579 WeakPolarHBondContact O-CB 3.28Å; P575-C579 PolarHBondContact O-N 3.1Å; P575-C579 PolarHBondContact O-SG 2.73Å; C579-G583 WeakPolarHBondContact O-CA 3.48Å; C579-G583 PolarHBondContact O-N 3.42Å |
| 580 | A | 32.5 | Very low | 33.4 | Very low | 50 Ų | 50 | 73.7 Ų | 73.7 | 41% | 0.413 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N576 W577 L578 G583 L584 | N576-A580 WeakPolarHBondContact O-CB 3.28Å; N576-A580 PolarHBondContact O-N 2.93Å; N576-A580 VanDerWaalsContact O-N 3.1Å; W577-A580 PolarHBondContact O-N 3.3Å; L578-A580 VanDerWaalsContact C-N 3.34Å; L578-A580 PolarHBondContact O-N 3.39Å; A580-G583 PolarHBondContact O-N 3.24Å; A580-L584 VanDerWaalsContact O-CB 3.28Å; A580-L584 WeakPolarHBondContact O-CB 3.23Å; A580-L584 WeakPolarHBondContact O-CD1 3.34Å; A580-L584 WeakPolarHBondContact O-CG 3.14Å; A580-L584 PolarHBondContact O-N 2.98Å |
| 581 | F | 34.7 | Very low | 33.2 | Very low | 68 Ų | 68 | 78.6 Ų | 78.6 | 30% | 0.298 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -74.9 | -42.7 | -179.2 | -174 | -106.6 | 0 | 0 | 0 | 112.2 | W577 L578 G583 L584 L585 | W577-F581 HydrophobicContact CD2-CB 4.37Å; W577-F581 HydrophobicContact CE3-CB 4.09Å; W577-F581 HydrophobicContact CH2-CB 4.22Å; W577-F581 HydrophobicContact CH2-CD1 4.44Å; W577-F581 AromaticContact CH2-CD2 3.8Å; W577-F581 HydrophobicContact CH2-CD2 3.8Å; W577-F581 HydrophobicContact CH2-CE2 4.28Å; W577-F581 AromaticContact CH2-CG 3.9Å; W577-F581 HydrophobicContact CH2-CG 3.9Å; W577-F581 HydrophobicContact CZ2-CB 4.47Å; W577-F581 HydrophobicContact CZ2-CD2 4.1Å; W577-F581 HydrophobicContact CZ2-CG 4.42Å; W577-F581 HydrophobicContact CZ3-CB 4.01Å; W577-F581 HydrophobicContact CZ3-CD1 4.28Å; W577-F581 HydrophobicContact CZ3-CD2 4.35Å; W577-F581 AromaticContact CZ3-CG 3.96Å; W577-F581 HydrophobicContact CZ3-CG 3.96Å; W577-F581 VanDerWaalsContact O-CB 3.22Å; W577-F581 WeakPolarHBondContact O-CB 3.5Å; W577-F581 PolarHBondContact O-N 2.91Å; L578-F581 PolarHBondContact O-N 3.5Å; F581-G583 VanDerWaalsContact C-N 3.32Å; F581-L584 CarbonylContact O-C 3.48Å; F581-L584 WeakPolarHBondContact O-CB 3.13Å; F581-L584 PolarHBondContact O-N 2.95Å; F581-L585 HydrophobicContact CD1-CD1 3.74Å; F581-L585 HydrophobicContact CE1-CD1 3.21Å; F581-L585 HydrophobicContact CE1-CG 4.33Å; F581-L585 HydrophobicContact CE2-CD1 4.48Å; F581-L585 HydrophobicContact CZ-CD1 3.64Å; F581-L585 HydrophobicContact CZ-CG 4.4Å; F581-L585 WeakPolarHBondContact O-CB 3.47Å; F581-L585 PolarHBondContact O-N 3.47Å |
| 582 | L | 35.2 | Very low | 33.3 | Very low | 32 Ų | 32 | 75.9 Ų | 75.9 | 17% | 0.168 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 169.9 | -71.8 | 175.3 | 0 | 0 | 0 | 110.5 | L578 L584 L585 F586 Y601 F608 | L578-L582 HydrophobicContact CD1-CD1 4.06Å; L578-L582 HydrophobicContact CD1-CG 3.94Å; L578-L582 HydrophobicContact CD2-CD1 4.1Å; L578-L582 HydrophobicContact CG-CD1 3.64Å; L578-L582 HydrophobicContact CG-CG 3.96Å; L578-L582 WeakPolarHBondContact O-CA 2.98Å; L578-L582 WeakPolarHBondContact O-CB 3.18Å; L578-L582 WeakPolarHBondContact O-CG 3.17Å; L578-L582 PolarHBondContact O-N 2.81Å; L582-L584 VanDerWaalsContact C-N 3.32Å; L582-L584 PolarHBondContact O-N 3.43Å; L582-L585 PolarHBondContact O-N 3.35Å; L582-F586 VanDerWaalsContact O-CB 3.23Å; L582-F586 WeakPolarHBondContact O-CB 3.35Å; L582-F586 PolarHBondContact O-N 2.92Å; L582-Y601 HydrophobicContact CD2-CE1 4.46Å; L582-F608 HydrophobicContact CD1-CE2 3.86Å; L582-F608 HydrophobicContact CD1-CZ 4.38Å |
| 583 | G | 33.9 | Very low | 33 | Very low | 38 Ų | 38 | 81.5 Ų | 81.5 | 39% | 0.392 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C579 A580 F581 E587 | C579-G583 WeakPolarHBondContact O-CA 3.48Å; C579-G583 PolarHBondContact O-N 3.42Å; A580-G583 PolarHBondContact O-N 3.24Å; F581-G583 VanDerWaalsContact C-N 3.32Å; G583-E587 VanDerWaalsContact O-CB 3.29Å; G583-E587 WeakPolarHBondContact O-CB 3.2Å; G583-E587 PolarHBondContact O-N 2.87Å |
| 584 | L | 32.6 | Very low | 33 | Very low | 60 Ų | 60 | 83.1 Ų | 83.1 | 31% | 0.314 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70 | -39.5 | 175.9 | -79 | 164.8 | 0 | 0 | 0 | 113.1 | K469 A580 F581 L582 E587 F588 | K469-L584 HydrophobicContact CD-CD2 3.58Å; K469-L584 HydrophobicContact CG-CD2 3.9Å; A580-L584 VanDerWaalsContact O-CB 3.28Å; A580-L584 WeakPolarHBondContact O-CB 3.23Å; A580-L584 WeakPolarHBondContact O-CD1 3.34Å; A580-L584 WeakPolarHBondContact O-CG 3.14Å; A580-L584 PolarHBondContact O-N 2.98Å; F581-L584 CarbonylContact O-C 3.48Å; F581-L584 WeakPolarHBondContact O-CB 3.13Å; F581-L584 PolarHBondContact O-N 2.95Å; L582-L584 VanDerWaalsContact C-N 3.32Å; L582-L584 PolarHBondContact O-N 3.43Å; L584-E587 PolarHBondContact O-N 2.92Å; L584-F588 WeakPolarHBondContact O-CB 3.36Å; L584-F588 PolarHBondContact O-N 3.07Å |
| 585 | L | 32.2 | Very low | 33 | Very low | 48 Ų | 48 | 83.4 Ų | 83.4 | 25% | 0.251 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.5 | -40.8 | 173 | -97.2 | 159.4 | 0 | 0 | 0 | 111 | F581 L582 E587 F588 E589 | F581-L585 HydrophobicContact CD1-CD1 3.74Å; F581-L585 HydrophobicContact CE1-CD1 3.21Å; F581-L585 HydrophobicContact CE1-CG 4.33Å; F581-L585 HydrophobicContact CE2-CD1 4.48Å; F581-L585 HydrophobicContact CZ-CD1 3.64Å; F581-L585 HydrophobicContact CZ-CG 4.4Å; F581-L585 WeakPolarHBondContact O-CB 3.47Å; F581-L585 PolarHBondContact O-N 3.47Å; L582-L585 PolarHBondContact O-N 3.35Å; L585-E587 VanDerWaalsContact C-N 3.32Å; L585-E587 PolarHBondContact O-N 2.8Å; L585-F588 PolarHBondContact O-N 2.91Å; L585-E589 WeakPolarHBondContact O-CB 3.36Å; L585-E589 PolarHBondContact O-N 3.24Å |
| 586 | F | 33.9 | Very low | 33 | Very low | 84 Ų | 84 | 81.1 Ų | 81.1 | 37% | 0.368 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 172.5 | -112.3 | -87.8 | 0 | 0 | 0 | 111.1 | L582 S590 L598 Y601 | L582-F586 VanDerWaalsContact O-CB 3.23Å; L582-F586 WeakPolarHBondContact O-CB 3.35Å; L582-F586 PolarHBondContact O-N 2.92Å; F586-S590 WeakPolarHBondContact O-CA 3.21Å; F586-S590 WeakPolarHBondContact O-CB 3.33Å; F586-S590 PolarHBondContact O-N 3.08Å; F586-S590 PolarHBondContact O-OG 3.46Å; F586-L598 HydrophobicContact CE1-CD1 3.89Å; F586-Y601 HydrophobicContact CD2-CD1 4.39Å; F586-Y601 HydrophobicContact CD2-CG 4.43Å; F586-Y601 AromaticContact CE2-CD1 3.99Å; F586-Y601 HydrophobicContact CE2-CD1 3.99Å; F586-Y601 AromaticContact CE2-CG 3.84Å; F586-Y601 HydrophobicContact CE2-CG 3.84Å; F586-Y601 HydrophobicContact CZ-CG 4.25Å |
| 587 | E | 32.7 | Very low | 32.9 | Very low | 74 Ų | 74 | 76.5 Ų | 76.5 | 35% | 0.346 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 175.7 | -167 | -174.7 | -150.1 | 0 | 0 | 111.2 | K469 G583 L584 L585 S590 K591 | K469-E587 IonicContact NZ-OE2 3.95Å; K469-E587 PolarHBondContact NZ-OE2 3.18Å; G583-E587 VanDerWaalsContact O-CB 3.29Å; G583-E587 WeakPolarHBondContact O-CB 3.2Å; G583-E587 PolarHBondContact O-N 2.87Å; L584-E587 PolarHBondContact O-N 2.92Å; L585-E587 VanDerWaalsContact C-N 3.32Å; L585-E587 PolarHBondContact O-N 2.8Å; E587-S590 PolarHBondContact O-OG 3.04Å; E587-K591 PolarHBondContact O-N 3.06Å |
| 588 | F | 31.6 | Very low | 32.8 | Very low | 73 Ų | 73 | 72.3 Ų | 72.3 | 32% | 0.32 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 176.7 | -115.6 | -82.6 | 0 | 0 | 0 | 112.9 | Y427 L584 L585 | Y427-F588 HydrophobicContact CD1-CZ 4.46Å; Y427-F588 HydrophobicContact CE1-CE1 4.13Å; Y427-F588 HydrophobicContact CE1-CE2 4.05Å; Y427-F588 AromaticContact CE1-CZ 3.31Å; Y427-F588 HydrophobicContact CE1-CZ 3.31Å; Y427-F588 HydrophobicContact CE2-CE1 4.47Å; Y427-F588 HydrophobicContact CE2-CZ 4.35Å; Y427-F588 AromaticContact CZ-CE1 3.73Å; Y427-F588 AromaticContact CZ-CZ 3.26Å; Y427-F588 VanDerWaalsContact OH-CE1 3.28Å; Y427-F588 WeakPolarHBondContact OH-CE1 3.48Å; Y427-F588 VanDerWaalsContact OH-CE2 3.27Å; Y427-F588 WeakPolarHBondContact OH-CE2 3.13Å; Y427-F588 WeakPolarHBondContact OH-CZ 3.26Å; L584-F588 WeakPolarHBondContact O-CB 3.36Å; L584-F588 PolarHBondContact O-N 3.07Å; L585-F588 PolarHBondContact O-N 2.91Å |
| 589 | E | 32.4 | Very low | 32.7 | Very low | 33 Ų | 33 | 78.3 Ų | 78.3 | 15% | 0.154 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -88.2 | -27.4 | -173.6 | -73.2 | -107.7 | -166.1 | 0 | 0 | 112.5 | K543 L585 K591 L592 Y593 N597 Y601 | K543-E589 IonicContact NZ-OE1 3.71Å; K543-E589 PolarHBondContact NZ-OE1 3.45Å; K543-E589 VanDerWaalsContact NZ-OE1 3.12Å; L585-E589 WeakPolarHBondContact O-CB 3.36Å; L585-E589 PolarHBondContact O-N 3.24Å; E589-K591 VanDerWaalsContact C-N 3.26Å; E589-K591 PolarHBondContact O-N 3.25Å; E589-L592 CarbonylContact O-C 3.58Å; E589-L592 PolarHBondContact O-N 3.31Å; E589-Y593 PolarHBondContact O-N 3.33Å; E589-N597 VanDerWaalsContact OE2-CB 3.26Å; E589-N597 WeakPolarHBondContact OE2-CB 3.37Å; E589-N597 VanDerWaalsContact OE2-CG 3.31Å; E589-N597 PolarHBondContact OE2-ND2 2.88Å; E589-Y601 HydrophobicContact CB-CE2 4.43Å; E589-Y601 HydrophobicContact CG-CE2 4.37Å |
| 590 | S | 34 | Very low | 32.7 | Very low | 57 Ų | 57 | 77.2 Ų | 77.2 | 40% | 0.399 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.6 | -29.4 | 170.3 | 64.3 | 0 | 0 | 0 | 0 | 112.1 | F586 E587 L592 | F586-S590 WeakPolarHBondContact O-CA 3.21Å; F586-S590 WeakPolarHBondContact O-CB 3.33Å; F586-S590 PolarHBondContact O-N 3.08Å; F586-S590 PolarHBondContact O-OG 3.46Å; E587-S590 PolarHBondContact O-OG 3.04Å; S590-L592 PolarHBondContact O-N 3.01Å |
| 591 | K | 30.3 | Very low | 32.7 | Very low | 136 Ų | 136 | 76.3 Ų | 76.3 | 59% | 0.591 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -19 | 169.3 | -75.9 | -171.4 | 179.2 | -174.5 | 0 | 112.8 | D462 E587 E589 | D462-K591 IonicContact OD1-NZ 3.67Å; D462-K591 PolarHBondContact OD1-NZ 2.97Å; D462-K591 IonicContact OD2-NZ 3.87Å; E587-K591 PolarHBondContact O-N 3.06Å; E589-K591 VanDerWaalsContact C-N 3.26Å; E589-K591 PolarHBondContact O-N 3.25Å |
| 592 | L | 34.8 | Very low | 32.6 | Very low | 103 Ų | 103 | 77.9 Ų | 77.9 | 54% | 0.539 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -1.6 | 179.1 | -72.3 | 170.5 | 0 | 0 | 0 | 115.1 | E589 S590 E594 | E589-L592 CarbonylContact O-C 3.58Å; E589-L592 PolarHBondContact O-N 3.31Å; S590-L592 PolarHBondContact O-N 3.01Å; L592-E594 PolarHBondContact O-N 3.47Å |
| 593 | Y | 30.6 | Very low | 32.4 | Very low | 213 Ų | 213 | 79.6 Ų | 79.6 | 84% | 0.835 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 47.3 | 169 | -112 | -81.4 | 0 | 0 | 0 | 115.1 | E589 P595 | E589-Y593 PolarHBondContact O-N 3.33Å; Y593-P595 WeakPolarHBondContact O-CD 3.44Å |
| 594 | E | 32 | Very low | 32.2 | Very low | 114 Ų | 114 | 79.9 Ų | 79.9 | 53% | 0.533 | 40% | 0.401 | S | S | . | . | trans | -107.6 | 107.9 | 169.6 | -75.2 | -157 | 150.4 | 0 | 0 | 112.8 | L592 A596 N597 L598 | L592-E594 PolarHBondContact O-N 3.47Å; E594-A596 PolarHBondContact O-N 3.42Å; E594-N597 PolarHBondContact O-N 2.98Å; E594-N597 PolarHBondContact OE2-ND2 3.36Å; E594-L598 PolarHBondContact O-N 3.36Å; E594-L598 VanDerWaalsContact O-N 3.11Å | ||
| 595 | P | 32.2 | Very low | 32 | Very low | 73 Ų | 73 | 78.8 Ų | 78.8 | 47% | 0.474 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.1 | -20.4 | 179 | -19.8 | 31 | 0 | 0 | 0 | 113.7 | Y593 N597 L598 R599 | Y593-P595 WeakPolarHBondContact O-CD 3.44Å; P595-N597 VanDerWaalsContact C-N 3.35Å; P595-L598 CarbonylContact O-C 3.52Å; P595-L598 PolarHBondContact O-N 2.93Å; P595-R599 VanDerWaalsContact O-CB 3.23Å; P595-R599 WeakPolarHBondContact O-CB 3.48Å; P595-R599 PolarHBondContact O-N 2.84Å |
| 596 | A | 31.6 | Very low | 31.8 | Very low | 45 Ų | 45 | 84.1 Ų | 84.1 | 37% | 0.372 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | E594 R599 S600 | E594-A596 PolarHBondContact O-N 3.42Å; A596-R599 CarbonylContact O-C 3.4Å; A596-R599 PolarHBondContact O-N 3.18Å; A596-S600 WeakPolarHBondContact O-CB 3.48Å; A596-S600 PolarHBondContact O-N 3.01Å; A596-S600 PolarHBondContact O-OG 2.73Å; A596-S600 VanDerWaalsContact O-OG 3.07Å |
| 597 | N | 33.1 | Very low | 31.5 | Very low | 34 Ų | 34 | 80.8 Ų | 80.8 | 18% | 0.182 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -69.1 | -39.5 | 172.4 | -63.8 | -24.8 | 0 | 0 | 0 | 110.3 | E589 E594 P595 R599 S600 Y601 | E589-N597 VanDerWaalsContact OE2-CB 3.26Å; E589-N597 WeakPolarHBondContact OE2-CB 3.37Å; E589-N597 VanDerWaalsContact OE2-CG 3.31Å; E589-N597 PolarHBondContact OE2-ND2 2.88Å; E594-N597 PolarHBondContact O-N 2.98Å; E594-N597 PolarHBondContact OE2-ND2 3.36Å; P595-N597 VanDerWaalsContact C-N 3.35Å; N597-R599 VanDerWaalsContact C-N 3.25Å; N597-R599 PolarHBondContact O-N 3.43Å; N597-S600 CarbonylContact O-C 3.52Å; N597-S600 WeakPolarHBondContact O-CA 3.44Å; N597-S600 WeakPolarHBondContact O-CB 3.35Å; N597-S600 PolarHBondContact O-N 3.37Å; N597-S600 VanDerWaalsContact O-N 3.15Å; N597-Y601 HydrophobicContact CB-CD2 4.34Å; N597-Y601 HydrophobicContact CB-CE2 4.24Å; N597-Y601 WeakPolarHBondContact O-CB 3.32Å; N597-Y601 WeakPolarHBondContact O-CD2 3.25Å; N597-Y601 PolarHBondContact O-N 2.88Å |
| 598 | L | 31.4 | Very low | 31.2 | Very low | 74 Ų | 74 | 82.1 Ų | 82.1 | 39% | 0.387 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.4 | -30.5 | 173.5 | -145.3 | 101.5 | 0 | 0 | 0 | 113 | F586 E594 P595 Y601 L602 | F586-L598 HydrophobicContact CE1-CD1 3.89Å; E594-L598 PolarHBondContact O-N 3.36Å; E594-L598 VanDerWaalsContact O-N 3.11Å; P595-L598 CarbonylContact O-C 3.52Å; P595-L598 PolarHBondContact O-N 2.93Å; L598-Y601 CarbonylContact O-C 3.49Å; L598-Y601 PolarHBondContact O-N 3.25Å; L598-L602 HydrophobicContact CD2-CD1 4Å; L598-L602 WeakPolarHBondContact O-CA 3.33Å; L598-L602 WeakPolarHBondContact O-CB 3.39Å; L598-L602 WeakPolarHBondContact O-CG 3.3Å; L598-L602 PolarHBondContact O-N 2.85Å |
| 599 | R | 31.8 | Very low | 30.9 | Very low | 152 Ų | 152 | 84.8 Ų | 84.8 | 57% | 0.574 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -81.3 | -31.1 | 175.2 | -152.1 | -178 | -143.6 | -176.5 | 5.9 | 110.7 | P595 A596 N597 Y601 S603 | P595-R599 VanDerWaalsContact O-CB 3.23Å; P595-R599 WeakPolarHBondContact O-CB 3.48Å; P595-R599 PolarHBondContact O-N 2.84Å; A596-R599 CarbonylContact O-C 3.4Å; A596-R599 PolarHBondContact O-N 3.18Å; N597-R599 VanDerWaalsContact C-N 3.25Å; N597-R599 PolarHBondContact O-N 3.43Å; R599-Y601 VanDerWaalsContact C-N 3.29Å; R599-S603 VanDerWaalsContact O-CA 3.3Å; R599-S603 WeakPolarHBondContact O-CA 3.3Å; R599-S603 WeakPolarHBondContact O-CB 3.24Å; R599-S603 PolarHBondContact O-N 2.77Å; R599-S603 PolarHBondContact O-OG 3.09Å |
| 600 | S | 34.3 | Very low | 30.4 | Very low | 61 Ų | 61 | 92.1 Ų | 92.1 | 43% | 0.427 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 164.5 | -63 | 0 | 0 | 0 | 0 | 110 | A596 N597 S603 L604 | A596-S600 WeakPolarHBondContact O-CB 3.48Å; A596-S600 PolarHBondContact O-N 3.01Å; A596-S600 PolarHBondContact O-OG 2.73Å; A596-S600 VanDerWaalsContact O-OG 3.07Å; N597-S600 CarbonylContact O-C 3.52Å; N597-S600 WeakPolarHBondContact O-CA 3.44Å; N597-S600 WeakPolarHBondContact O-CB 3.35Å; N597-S600 PolarHBondContact O-N 3.37Å; N597-S600 VanDerWaalsContact O-N 3.15Å; S600-S603 CarbonylContact O-C 3.59Å; S600-L604 WeakPolarHBondContact O-CA 3.48Å; S600-L604 WeakPolarHBondContact O-CB 3.4Å; S600-L604 WeakPolarHBondContact O-CD1 3.39Å; S600-L604 PolarHBondContact O-N 2.99Å |
| 601 | Y | 32 | Very low | 29.9 | Very low | 31 Ų | 31 | 90.8 Ų | 90.8 | 12% | 0.122 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -75.3 | -36.1 | 176.5 | -77.7 | -61.8 | 0 | 0 | 0 | 113.7 | L582 F586 E589 N597 L598 R599 L604 G605 | L582-Y601 HydrophobicContact CD2-CE1 4.46Å; F586-Y601 HydrophobicContact CD2-CD1 4.39Å; F586-Y601 HydrophobicContact CD2-CG 4.43Å; F586-Y601 AromaticContact CE2-CD1 3.99Å; F586-Y601 HydrophobicContact CE2-CD1 3.99Å; F586-Y601 AromaticContact CE2-CG 3.84Å; F586-Y601 HydrophobicContact CE2-CG 3.84Å; F586-Y601 HydrophobicContact CZ-CG 4.25Å; E589-Y601 HydrophobicContact CB-CE2 4.43Å; E589-Y601 HydrophobicContact CG-CE2 4.37Å; N597-Y601 HydrophobicContact CB-CD2 4.34Å; N597-Y601 HydrophobicContact CB-CE2 4.24Å; N597-Y601 WeakPolarHBondContact O-CB 3.32Å; N597-Y601 WeakPolarHBondContact O-CD2 3.25Å; N597-Y601 PolarHBondContact O-N 2.88Å; L598-Y601 CarbonylContact O-C 3.49Å; L598-Y601 PolarHBondContact O-N 3.25Å; R599-Y601 VanDerWaalsContact C-N 3.29Å; Y601-L604 HydrophobicContact CD1-CD2 4.48Å; Y601-L604 CarbonylContact O-C 3.52Å; Y601-L604 WeakPolarHBondContact O-CB 3.37Å; Y601-L604 PolarHBondContact O-N 3.25Å; Y601-G605 PolarHBondContact O-N 3.38Å |
| 602 | L | 31.7 | Very low | 29.6 | Very low | 100 Ų | 100 | 92.6 Ų | 92.6 | 52% | 0.524 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -75.9 | -34.5 | 170.8 | -88.3 | 160.7 | 0 | 0 | 0 | 110.1 | L598 G605 Y606 | L598-L602 HydrophobicContact CD2-CD1 4Å; L598-L602 WeakPolarHBondContact O-CA 3.33Å; L598-L602 WeakPolarHBondContact O-CB 3.39Å; L598-L602 WeakPolarHBondContact O-CG 3.3Å; L598-L602 PolarHBondContact O-N 2.85Å; L602-G605 CarbonylContact O-C 3.59Å; L602-G605 PolarHBondContact O-N 2.69Å; L602-Y606 VanDerWaalsContact O-CB 3.23Å; L602-Y606 WeakPolarHBondContact O-CB 3.23Å; L602-Y606 WeakPolarHBondContact O-CD2 3.09Å; L602-Y606 PolarHBondContact O-N 3.32Å |
| 603 | S | 31.4 | Very low | 28.9 | Very low | 69 Ų | 69 | 89.3 Ų | 89.3 | 48% | 0.483 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.8 | -24.4 | 168 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | R599 S600 Y606 A607 | R599-S603 VanDerWaalsContact O-CA 3.3Å; R599-S603 WeakPolarHBondContact O-CA 3.3Å; R599-S603 WeakPolarHBondContact O-CB 3.24Å; R599-S603 PolarHBondContact O-N 2.77Å; R599-S603 PolarHBondContact O-OG 3.09Å; S600-S603 CarbonylContact O-C 3.59Å; S603-Y606 CarbonylContact O-C 3.58Å; S603-A607 WeakPolarHBondContact O-CA 3.07Å; S603-A607 WeakPolarHBondContact O-CB 3.46Å; S603-A607 PolarHBondContact O-N 2.68Å |
| 604 | L | 30.7 | Very low | 28.3 | Very low | 44 Ų | 44 | 89.4 Ų | 89.4 | 23% | 0.23 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -81.6 | -29 | 170.3 | -112.5 | 96.8 | 0 | 0 | 0 | 111.2 | L566 S600 Y601 A607 F608 | L566-L604 HydrophobicContact CD1-CD2 3.73Å; L566-L604 HydrophobicContact CD2-CD2 4.3Å; L566-L604 HydrophobicContact CD2-CG 4.18Å; S600-L604 WeakPolarHBondContact O-CA 3.48Å; S600-L604 WeakPolarHBondContact O-CB 3.4Å; S600-L604 WeakPolarHBondContact O-CD1 3.39Å; S600-L604 PolarHBondContact O-N 2.99Å; Y601-L604 HydrophobicContact CD1-CD2 4.48Å; Y601-L604 CarbonylContact O-C 3.52Å; Y601-L604 WeakPolarHBondContact O-CB 3.37Å; Y601-L604 PolarHBondContact O-N 3.25Å; L604-A607 CarbonylContact O-C 3.36Å; L604-A607 PolarHBondContact O-N 2.67Å; L604-F608 WeakPolarHBondContact O-CB 3.36Å; L604-F608 PolarHBondContact O-N 3Å |
| 605 | G | 28.3 | Very low | 27.8 | Very low | 36 Ų | 36 | 86.9 Ų | 86.9 | 37% | 0.371 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.7 | -38.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y601 L602 F608 Y609 | Y601-G605 PolarHBondContact O-N 3.38Å; L602-G605 CarbonylContact O-C 3.59Å; L602-G605 PolarHBondContact O-N 2.69Å; G605-F608 WeakPolarHBondContact O-CB 3.26Å; G605-F608 PolarHBondContact O-N 2.91Å; G605-Y609 WeakPolarHBondContact O-CB 3.45Å; G605-Y609 PolarHBondContact O-N 3.39Å |
| 606 | Y | 27.5 | Very low | 27.2 | Very low | 160 Ų | 160 | 87.9 Ų | 87.9 | 63% | 0.627 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -71.7 | -29.2 | 166.4 | -99.6 | -86 | 0 | 0 | 0 | 111.8 | L602 S603 Y609 R610 | L602-Y606 VanDerWaalsContact O-CB 3.23Å; L602-Y606 WeakPolarHBondContact O-CB 3.23Å; L602-Y606 WeakPolarHBondContact O-CD2 3.09Å; L602-Y606 PolarHBondContact O-N 3.32Å; S603-Y606 CarbonylContact O-C 3.58Å; Y606-Y609 CarbonylContact O-C 3.58Å; Y606-Y609 WeakPolarHBondContact O-CA 3.49Å; Y606-Y609 VanDerWaalsContact O-CB 3.26Å; Y606-Y609 WeakPolarHBondContact O-CB 3.08Å; Y606-Y609 PolarHBondContact O-N 2.65Å; Y606-R610 PolarHBondContact O-N 2.56Å |
| 607 | A | 27 | Very low | 26.7 | Very low | 14 Ų | 14 | 87 Ų | 87 | 12% | 0.116 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -71 | -45.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | L566 S603 L604 Y609 R610 F611 | L566-A607 HydrophobicContact CD2-CB 3.97Å; S603-A607 WeakPolarHBondContact O-CA 3.07Å; S603-A607 WeakPolarHBondContact O-CB 3.46Å; S603-A607 PolarHBondContact O-N 2.68Å; L604-A607 CarbonylContact O-C 3.36Å; L604-A607 PolarHBondContact O-N 2.67Å; A607-Y609 PolarHBondContact O-N 3.12Å; A607-Y609 VanDerWaalsContact O-N 3.12Å; A607-R610 CarbonylContact O-C 3.57Å; A607-R610 VanDerWaalsContact O-C 3.27Å; A607-R610 WeakPolarHBondContact O-CA 3.37Å; A607-R610 PolarHBondContact O-N 2.76Å; A607-F611 VanDerWaalsContact O-CA 3.26Å; A607-F611 WeakPolarHBondContact O-CA 3.26Å; A607-F611 WeakPolarHBondContact O-CB 3.39Å; A607-F611 PolarHBondContact O-N 3.23Å |
| 608 | F | 26.9 | Very low | 26.1 | Very low | 103 Ų | 103 | 89 Ų | 89 | 45% | 0.452 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -46.4 | -42.3 | 165.8 | -113.6 | -85.8 | 0 | 0 | 0 | 111.1 | L570 L578 L582 L604 G605 R610 | L570-F608 HydrophobicContact CD2-CZ 4.47Å; L578-F608 HydrophobicContact CD2-CE2 4.4Å; L578-F608 HydrophobicContact CD2-CZ 4.05Å; L582-F608 HydrophobicContact CD1-CE2 3.86Å; L582-F608 HydrophobicContact CD1-CZ 4.38Å; L604-F608 WeakPolarHBondContact O-CB 3.36Å; L604-F608 PolarHBondContact O-N 3Å; G605-F608 WeakPolarHBondContact O-CB 3.26Å; G605-F608 PolarHBondContact O-N 2.91Å; F608-R610 VanDerWaalsContact C-N 3.32Å; F608-R610 PolarHBondContact O-N 3.16Å |
| 609 | Y | 25.1 | Very low | 25.8 | Very low | 128 Ų | 128 | 86.8 Ų | 86.8 | 50% | 0.502 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -18.6 | 176.5 | -153.8 | -90.1 | 0 | 0 | 0 | 114.4 | G605 Y606 A607 | G605-Y609 WeakPolarHBondContact O-CB 3.45Å; G605-Y609 PolarHBondContact O-N 3.39Å; Y606-Y609 CarbonylContact O-C 3.58Å; Y606-Y609 WeakPolarHBondContact O-CA 3.49Å; Y606-Y609 VanDerWaalsContact O-CB 3.26Å; Y606-Y609 WeakPolarHBondContact O-CB 3.08Å; Y606-Y609 PolarHBondContact O-N 2.65Å; A607-Y609 PolarHBondContact O-N 3.12Å; A607-Y609 VanDerWaalsContact O-N 3.12Å |
| 610 | R | 22.4 | Very low | 25.3 | Very low | 187 Ų | 187 | 84.4 Ų | 84.4 | 71% | 0.706 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | -4.5 | 176.8 | -92.5 | -171.4 | 171 | 178.7 | -0.5 | 114.8 | Y606 A607 F608 R612 | Y606-R610 PolarHBondContact O-N 2.56Å; A607-R610 CarbonylContact O-C 3.57Å; A607-R610 VanDerWaalsContact O-C 3.27Å; A607-R610 WeakPolarHBondContact O-CA 3.37Å; A607-R610 PolarHBondContact O-N 2.76Å; F608-R610 VanDerWaalsContact C-N 3.32Å; F608-R610 PolarHBondContact O-N 3.16Å; R610-R612 PolarHBondContact O-N 3.47Å |
| 611 | F | 23.4 | Very low | 24.7 | Very low | 29 Ų | 29 | 84.1 Ų | 84.1 | 13% | 0.127 | 43% | 0.425 | C | S | . | . | trans | -79.7 | 125.1 | -166.7 | -156.4 | -86.2 | 0 | 0 | 0 | 107 | D563 L566 S567 L570 A607 P613 | D563-F611 HydrophobicContact CB-CE2 4.3Å; D563-F611 VanDerWaalsContact O-CE2 3.27Å; D563-F611 WeakPolarHBondContact O-CE2 3.45Å; L566-F611 HydrophobicContact CB-CE2 4.5Å; L566-F611 HydrophobicContact CD2-CD2 3.93Å; L566-F611 HydrophobicContact CD2-CE2 4.39Å; L566-F611 HydrophobicContact CD2-CG 4.48Å; L566-F611 HydrophobicContact CG-CD2 4.49Å; S567-F611 VanDerWaalsContact CB-CZ 3.44Å; L570-F611 HydrophobicContact CB-CD1 4.28Å; L570-F611 HydrophobicContact CB-CE1 4.16Å; L570-F611 HydrophobicContact CD1-CB 3.84Å; L570-F611 HydrophobicContact CD1-CD1 3.01Å; L570-F611 HydrophobicContact CD1-CD2 3.99Å; L570-F611 HydrophobicContact CD1-CE1 3.49Å; L570-F611 VanDerWaalsContact CD1-CE1 3.49Å; L570-F611 HydrophobicContact CD1-CE2 4.39Å; L570-F611 HydrophobicContact CD1-CG 3.29Å; L570-F611 HydrophobicContact CD1-CZ 4.19Å; L570-F611 HydrophobicContact CG-CD1 4.23Å; L570-F611 HydrophobicContact CG-CE1 4.44Å; A607-F611 VanDerWaalsContact O-CA 3.26Å; A607-F611 WeakPolarHBondContact O-CA 3.26Å; A607-F611 WeakPolarHBondContact O-CB 3.39Å; A607-F611 PolarHBondContact O-N 3.23Å; F611-P613 VanDerWaalsContact C-CD 3.44Å; F611-P613 WeakPolarHBondContact O-CD 3.23Å | ||
| 612 | R | 22.8 | Very low | 24.1 | Very low | 175 Ų | 175 | 85.2 Ų | 85.2 | 66% | 0.66 | 44% | 0.436 | S | S | * | . | trans | -95.4 | 84.6 | -177 | -65.8 | 171 | 171 | 179 | -5 | 107.3 | R610 R614 | R610-R612 PolarHBondContact O-N 3.47Å; R612-R614 PolarHBondContact O-N 2.75Å | ||
| 613 | P | 20.8 | Very low | 23.4 | Very low | 33 Ų | 33 | 84.7 Ų | 84.7 | 21% | 0.214 | 43% | 0.43 | C | S | . | . | trans | -68 | 133.9 | 164 | 36.8 | -36.5 | 0 | 0 | 0 | 105.1 | F611 P615 L1248 | F611-P613 VanDerWaalsContact C-CD 3.44Å; F611-P613 WeakPolarHBondContact O-CD 3.23Å; P613-P615 HydrophobicContact CB-CG 3.82Å; P613-P615 HydrophobicContact CG-CG 4.13Å; P613-P615 WeakPolarHBondContact O-CD 3.27Å; P613-L1248 VanDerWaalsContact O-CD1 3.24Å; P613-L1248 WeakPolarHBondContact O-CD1 2.82Å | ||
| 614 | R | 19.1 | Very low | 22.8 | Very low | 216 Ų | 216 | 86.6 Ų | 86.6 | 82% | 0.815 | 44% | 0.439 | S | S | * | . | trans | -84.4 | 100.8 | 148.8 | -72.1 | -178.4 | -179.5 | -179.4 | 0.1 | 104.9 | R612 | R612-R614 PolarHBondContact O-N 2.75Š| ||
| 615 | P | 20.7 | Very low | 22.4 | Very low | 60 Ų | 60 | 89.5 Ų | 89.5 | 39% | 0.39 | 46% | 0.458 | S | S | . | . | trans | -134.9 | 123.2 | 160.3 | 39 | -22 | 0 | 0 | 0 | 110.8 | P613 A617 | P613-P615 HydrophobicContact CB-CG 3.82Å; P613-P615 HydrophobicContact CG-CG 4.13Å; P613-P615 WeakPolarHBondContact O-CD 3.27Å; P615-A617 PolarHBondContact O-N 3.4Å | ||
| 616 | V | 19.6 | Very low | 21.9 | Very low | 95 Ų | 95 | 98.6 Ų | 98.6 | 58% | 0.576 | 48% | 0.481 | S | S | * | . | -14.6 | 84.9 | 127.3 | -169 | 0 | 0 | 0 | 0 | 112.3 | Y797 | V616-Y797 HydrophobicContact CG1-CE2 4.25Š| |||
| 617 | A | 20.3 | Very low | 21.5 | Very low | 27 Ų | 27 | 100.9 Ų | 100.9 | 22% | 0.223 | 49% | 0.494 | C | S | . | . | 70.9 | 109.1 | 108.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | P615 Y796 E800 | P615-A617 PolarHBondContact O-N 3.4Å; A617-Y796 VanDerWaalsContact CA-CZ 3.44Å; A617-Y796 WeakPolarHBondContact CA-OH 3.36Å; A617-Y796 HydrophobicContact CB-CD1 4.41Å; A617-Y796 HydrophobicContact CB-CE1 3.15Å; A617-Y796 VanDerWaalsContact CB-CZ 3.41Å; A617-Y796 WeakPolarHBondContact CB-OH 3.4Å; A617-Y796 WeakPolarHBondContact O-CD1 3.33Å; A617-Y796 WeakPolarHBondContact O-CE1 3.49Å; A617-E800 WeakPolarHBondContact CB-OE1 3.21Å; A617-E800 WeakPolarHBondContact CB-OE2 3.29Å | |||
| 618 | A | 21.9 | Very low | 21.1 | Very low | 74 Ų | 74 | 106.7 Ų | 106.7 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | trans | -177.7 | 122.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y796 | A618-Y796 VanDerWaalsContact CA-CE1 3.49Å; A618-Y796 VanDerWaalsContact CA-CE2 3.5Å; A618-Y796 HydrophobicContact CB-CD1 4.02Å; A618-Y796 HydrophobicContact CB-CE1 4.27Å; A618-Y796 HydrophobicContact CB-CG 4.17Å; A618-Y796 VanDerWaalsContact N-CE1 3.3Å; A618-Y796 PolarHBondContact N-OH 2.93Å | ||
| 619 | P | 23.5 | Very low | 20.8 | Very low | 28 Ų | 28 | 108.7 Ų | 108.7 | 18% | 0.182 | 54% | 0.538 | C | S | . | . | trans | -137.5 | 159.3 | 149.4 | 14.1 | 9.4 | 0 | 0 | 0 | 114 | Y796 W863 | P619-Y796 HydrophobicContact CG-CE2 4.26Å; P619-W863 HydrophobicContact CB-CZ2 4.36Å; P619-W863 HydrophobicContact CG-CD2 3.77Å; P619-W863 VanDerWaalsContact CG-CE2 3.47Å; P619-W863 HydrophobicContact CG-CG 3.59Å; P619-W863 HydrophobicContact CG-CZ2 4.24Å | ||
| 620 | L | 22.3 | Very low | 20.7 | Very low | 103 Ų | 103 | 112 Ų | 112 | 54% | 0.539 | 56% | 0.555 | S | S | . | * | trans | -163.8 | 134.1 | 178.2 | -105.4 | 162 | 0 | 0 | 0 | 114.2 | H855 | L620-H855 VanDerWaalsContact CA-NE2 3.33Å; L620-H855 WeakPolarHBondContact CA-NE2 3.2Å; L620-H855 PolarHBondContact N-NE2 3.19Å; L620-H855 PolarHBondContact O-CE1 3.04Å; L620-H855 PolarHBondContact O-NE2 3.44Å | ||
| 621 | A | 20.4 | Very low | 20.7 | Very low | 55 Ų | 55 | 109.7 Ų | 109.7 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | trans | 100 | 123.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 124.9 | V854 H855 | A621-V854 WeakPolarHBondContact O-CG1 3.22Å; A621-H855 PolarHBondContact N-CE1 3.12Å; A621-H855 PolarHBondContact N-NE2 2.64Å | ||
| 622 | C | 19.6 | Very low | 20.6 | Very low | 53 Ų | 53 | 115.3 Ų | 115.3 | 36% | 0.358 | 59% | 0.588 | S | S | . | * | trans | 71.3 | 109.4 | 165 | -90.3 | 0 | 0 | 0 | 0 | 124.1 | W684 V854 | C622-W684 HydrophobicContact CB-CE3 4.12Å; C622-W684 HydrophobicContact CB-CZ3 4.33Å; C622-W684 VanDerWaalsContact SG-CD2 3.58Å; C622-V854 VanDerWaalsContact C-CA 3.43Å; C622-V854 VanDerWaalsContact CA-CG2 3.45Å; C622-V854 VanDerWaalsContact N-CG2 3.35Å; C622-V854 VanDerWaalsContact O-CA 3.32Å; C622-V854 WeakPolarHBondContact O-CA 3.28Å; C622-V854 VanDerWaalsContact O-CG1 3.31Å; C622-V854 WeakPolarHBondContact O-CG1 3.1Å | ||
| 623 | K | 17.8 | Very low | 20.5 | Very low | 90 Ų | 90 | 113.2 Ų | 113.2 | 39% | 0.391 | 59% | 0.588 | S | S | . | * | cis | 74.9 | 109.3 | 40.1 | -134.9 | -173.8 | -177.4 | 178.1 | 0 | 111.7 | E850 V854 | K623-E850 HydrophobicContact CD-CB 4.39Å; K623-E850 HydrophobicContact CD-CG 4.38Å; K623-E850 VanDerWaalsContact CE-CG 3.42Å; K623-E850 WeakPolarHBondContact CE-OE2 3.18Å; K623-E850 IonicContact NZ-OE1 3.81Å; K623-E850 PolarHBondContact NZ-OE1 3.45Å; K623-E850 IonicContact NZ-OE2 2.65Å; K623-E850 PolarHBondContact NZ-OE2 2.73Å; K623-V854 HydrophobicContact CB-CG2 3.64Å; K623-V854 HydrophobicContact CG-CG2 4.31Å | ||
| 624 | T | 19.6 | Very low | 20.6 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 67% | 0.669 | 61% | 0.612 | S | S | * | * | trans | 87.5 | 96.9 | 156.8 | -16.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 625 | V | 20.5 | Very low | 20.8 | Very low | 105 Ų | 105 | 114 Ų | 114 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | trans | -140.4 | 116.7 | 146.2 | 179.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 626 | R | 18.8 | Very low | 21 | Very low | 226 Ų | 226 | 119.5 Ų | 119.5 | 85% | 0.853 | 63% | 0.634 | S | S | * | * | trans | -75.2 | 148 | 167.8 | -78.5 | 178.8 | 171.1 | 175.4 | -3.4 | 109.9 | ||||
| 627 | K | 18.5 | Very low | 21.2 | Very low | 209 Ų | 209 | 122.9 Ų | 122.9 | 91% | 0.909 | 65% | 0.649 | S | S | * | * | trans | -25.8 | 133.8 | 167 | -70.8 | 175.5 | 171.9 | 179.1 | 0 | 114.5 | ||||
| 628 | L | 20 | Very low | 21.4 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 71% | 0.707 | 68% | 0.675 | S | S | * | * | trans | -125 | 131.1 | 162 | -97.2 | 157.8 | 0 | 0 | 0 | 109 | ||||
| 629 | D | 20.4 | Very low | 21.4 | Very low | 146 Ų | 146 | 128.4 Ų | 128.4 | 78% | 0.781 | 68% | 0.681 | S | S | * | * | trans | -96.3 | 142 | -177.1 | -159 | -6.5 | 0 | 0 | 0 | 108.7 | ||||
| 630 | F | 21.9 | Very low | 21.5 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | trans | -96.6 | 2.4 | -154.7 | -96.8 | -85.8 | 0 | 0 | 0 | 116.2 | ||||
| 631 | D | 22.4 | Very low | 21.5 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | trans | -98.5 | 12.5 | -160.6 | -72.5 | -15.2 | 0 | 0 | 0 | 117.4 | ||||
| 632 | N | 21.2 | Very low | 21.7 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | -143.1 | 84.1 | 179.8 | -85.5 | -40.7 | 0 | 0 | 0 | 113.5 | ||||
| 633 | M | 21.3 | Very low | 22 | Very low | 132 Ų | 132 | 145 Ų | 145 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | -151.2 | 76.3 | 148.2 | -72.4 | -151.3 | -58.7 | 0 | 0 | 110.4 | K678 | M633-K678 HydrophobicContact SD-CD 4.29Å; M633-K678 WeakPolarHBondContact SD-CE 3.38Å; M633-K678 PolarHBondContact SD-NZ 2.78Å | ||
| 634 | S | 22.6 | Very low | 22.2 | Very low | 103 Ų | 103 | 152.3 Ų | 152.3 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -74.4 | 117.9 | 154.8 | 51.4 | 0 | 0 | 0 | 0 | 108.3 | E636 | S634-E636 PolarHBondContact O-N 3.5Š| ||
| 635 | L | 23.7 | Very low | 22.4 | Very low | 162 Ų | 162 | 155.1 Ų | 155.1 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -76.4 | 102.2 | 167.8 | -80.6 | 157.8 | 0 | 0 | 0 | 107.3 | D637 | L635-D637 PolarHBondContact O-N 2.83Š| ||
| 636 | E | 23.7 | Very low | 22.8 | Very low | 175 Ų | 175 | 159 Ų | 159 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -69 | 108.5 | 165.5 | -72 | -179.6 | 157.4 | 0 | 0 | 108.1 | S634 S638 | S634-E636 PolarHBondContact O-N 3.5Å; E636-S638 PolarHBondContact O-N 3.24Å | ||
| 637 | D | 25.1 | Very low | 23 | Very low | 167 Ų | 167 | 158.3 Ų | 158.3 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -66.5 | 95.6 | 172.7 | -80.7 | -35 | 0 | 0 | 0 | 110 | L635 | L635-D637 PolarHBondContact O-N 2.83Š| ||
| 638 | S | 23.3 | Very low | 23.4 | Very low | 110 Ų | 110 | 153.4 Ų | 153.4 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -105.2 | 68.7 | 177.3 | 68.6 | 0 | 0 | 0 | 0 | 111.6 | E636 | E636-S638 PolarHBondContact O-N 3.24Š| ||
| 639 | S | 23.5 | Very low | 23.6 | Very low | 106 Ų | 106 | 152.8 Ų | 152.8 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | 173.6 | 98.8 | 152.3 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 640 | E | 23.7 | Very low | 24.1 | Very low | 200 Ų | 200 | 152.4 Ų | 152.4 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | 178.6 | 72.9 | 138.9 | -99.1 | 171.1 | -163.8 | 0 | 0 | 109.8 | ||||
| 641 | A | 23.5 | Very low | 24.1 | Very low | 95 Ų | 95 | 147 Ų | 147 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -95.1 | 88.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 642 | T | 25.3 | Very low | 24.2 | Very low | 127 Ų | 127 | 147 Ų | 147 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | 171.2 | 87.8 | 144.8 | 45.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 643 | N | 25.5 | Very low | 24.6 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | -168 | 98.2 | 128 | -93.8 | -22.2 | 0 | 0 | 0 | 108.8 | |||||
| 644 | R | 21.2 | Very low | 24.7 | Very low | 242 Ų | 242 | 149.6 Ų | 149.6 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | -63.1 | 131.3 | 158.5 | -69.3 | 172.9 | 170.8 | 169.6 | -3.2 | 107.1 | ||||
| 645 | E | 24.4 | Very low | 25 | Very low | 168 Ų | 168 | 150 Ų | 150 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | 160.3 | 148.8 | 119.3 | -89 | -174.3 | -178.8 | 0 | 0 | 113 | |||||
| 646 | K | 27.9 | Very low | 24.9 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | 87.2 | 90.9 | 163.6 | -69.5 | 170.9 | -173.8 | 178.8 | 0 | 118.1 | ||||
| 647 | K | 22.9 | Very low | 25.1 | Very low | 210 Ų | 210 | 144.7 Ų | 144.7 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | trans | -43.1 | 135.5 | 140.8 | -65.6 | 173.2 | 172.7 | -179.9 | 0 | 111.7 | ||||
| 648 | S | 28.4 | Very low | 25 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -162.1 | 118.5 | 138.4 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 649 | S | 24.2 | Very low | 25 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -63.6 | 125.8 | 163.3 | 47.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 650 | V | 29.4 | Very low | 25.1 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | trans | -137.9 | 126.2 | 155.9 | 177.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 651 | S | 23.7 | Very low | 25.3 | Very low | 84 Ų | 84 | 140.9 Ų | 140.9 | 59% | 0.587 | 82% | 0.817 | S | S | * | * | trans | -81 | 164.6 | 174.8 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 652 | D | 24.6 | Very low | 25.5 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | trans | 64.8 | 108.9 | 154.9 | -46.5 | -39 | 0 | 0 | 0 | 117.7 | ||||
| 653 | D | 28.4 | Very low | 25.7 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | -175.2 | 128 | 118.3 | -95.2 | -22.8 | 0 | 0 | 0 | 111.9 | S655 | D653-S655 PolarHBondContact O-N 2.83Š| |||
| 654 | D | 24.2 | Very low | 26 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -59.6 | 122.8 | 169.5 | -71.7 | -50.4 | 0 | 0 | 0 | 111.3 | ||||
| 655 | S | 28 | Very low | 26.5 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -152.2 | 124.1 | 151.3 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | D653 S657 | D653-S655 PolarHBondContact O-N 2.83Å; S655-S657 PolarHBondContact O-N 3.48Å | ||
| 656 | A | 23.2 | Very low | 26.9 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 88% | 0.884 | 74% | 0.744 | S | S | * | * | trans | -29.9 | 114.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 657 | S | 25.9 | Very low | 27.3 | Very low | 119 Ų | 119 | 119.2 Ų | 119.2 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | trans | -148.5 | 75.8 | 153.2 | 73.2 | 0 | 0 | 0 | 0 | 110.6 | S655 | S655-S657 PolarHBondContact O-N 3.48Š| ||
| 658 | S | 23.6 | Very low | 27.9 | Very low | 106 Ų | 106 | 116.2 Ų | 116.2 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | trans | -134.5 | 74.9 | 170.7 | 64.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 659 | D | 24.3 | Very low | 28.1 | Very low | 169 Ų | 169 | 115.1 Ų | 115.1 | 90% | 0.904 | 69% | 0.691 | S | S | * | * | trans | -168.4 | 68.9 | 162.7 | -92.7 | -21.5 | 0 | 0 | 0 | 109.5 | ||||
| 660 | S | 25.7 | Very low | 28.7 | Very low | 108 Ų | 108 | 112.4 Ų | 112.4 | 76% | 0.755 | 66% | 0.662 | S | S | * | * | trans | -163.1 | 58.3 | 155.7 | 71.1 | 0 | 0 | 0 | 0 | 110.6 | D662 | S660-D662 PolarHBondContact O-N 2.84Š| ||
| 661 | S | 26.3 | Very low | 29.1 | Very low | 119 Ų | 119 | 108.3 Ų | 108.3 | 83% | 0.832 | 64% | 0.64 | S | S | * | * | trans | -89.7 | 57 | 158.2 | 62.1 | 0 | 0 | 0 | 0 | 108.6 | L663 | S661-L663 VanDerWaalsContact C-N 3.28Å; S661-L663 PolarHBondContact O-N 2.72Å | ||
| 662 | D | 29.1 | Very low | 29.7 | Very low | 147 Ų | 147 | 109.7 Ų | 109.7 | 79% | 0.786 | 64% | 0.636 | S | S | * | * | trans | -71.2 | 92.6 | 168.2 | -86 | -24.6 | 0 | 0 | 0 | 107.4 | S660 D664 | S660-D662 PolarHBondContact O-N 2.84Å; D662-D664 PolarHBondContact O-N 2.79Å | ||
| 663 | L | 28.7 | Very low | 30 | Very low | 127 Ų | 127 | 104.4 Ų | 104.4 | 67% | 0.665 | 61% | 0.607 | S | S | * | * | trans | 15.5 | 88.9 | 149.6 | -71.7 | 150.7 | 0 | 0 | 0 | 114.6 | S661 D665 | S661-L663 VanDerWaalsContact C-N 3.28Å; S661-L663 PolarHBondContact O-N 2.72Å; L663-D665 PolarHBondContact O-N 3.27Å | ||
| 664 | D | 32 | Very low | 30.6 | Very low | 101 Ų | 101 | 102 Ų | 102 | 54% | 0.54 | 59% | 0.591 | S | S | . | * | trans | -86.1 | 36.7 | 174.6 | -145.9 | 6.2 | 0 | 0 | 0 | 111.2 | D662 F666 G667 E668 | D662-D664 PolarHBondContact O-N 2.79Å; D664-F666 PolarHBondContact O-N 2.99Å; D664-G667 WeakPolarHBondContact O-CA 3.44Å; D664-G667 PolarHBondContact O-N 3.1Å; D664-E668 PolarHBondContact O-N 3.22Å | ||
| 665 | D | 31.2 | Very low | 31.4 | Very low | 79 Ų | 79 | 99 Ų | 99 | 42% | 0.422 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -55.1 | -23.5 | 175.7 | -70.1 | -15.5 | 0 | 0 | 0 | 111.8 | L663 E668 F669 | L663-D665 PolarHBondContact O-N 3.27Å; D665-E668 PolarHBondContact O-N 3.36Å; D665-F669 PolarHBondContact O-N 2.77Å; D665-F669 VanDerWaalsContact O-N 3.08Å |
| 666 | F | 33.8 | Very low | 31.9 | Very low | 48 Ų | 48 | 99.4 Ų | 99.4 | 21% | 0.211 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -69.8 | -34.3 | 173.5 | -138.3 | -81.7 | 0 | 0 | 0 | 112.4 | D664 E668 R670 L702 I703 | D664-F666 PolarHBondContact O-N 2.99Å; F666-E668 VanDerWaalsContact C-N 3.32Å; F666-R670 WeakPolarHBondContact O-CB 3.29Å; F666-R670 PolarHBondContact O-N 3.45Å; F666-L702 HydrophobicContact CE2-CB 4.29Å; F666-L702 WeakPolarHBondContact CE2-O 3.37Å; F666-L702 HydrophobicContact CZ-CB 3.78Å; F666-L702 WeakPolarHBondContact CZ-O 3.35Å; F666-I703 HydrophobicContact CE1-CB 4.42Å; F666-I703 HydrophobicContact CE1-CG1 3.5Å; F666-I703 VanDerWaalsContact CE1-CG1 3.5Å; F666-I703 HydrophobicContact CZ-CB 4.43Å; F666-I703 HydrophobicContact CZ-CG1 3.9Å |
| 667 | G | 36 | Very low | 33.1 | Very low | 30 Ų | 30 | 96 Ų | 96 | 31% | 0.309 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D664 S671 | D664-G667 WeakPolarHBondContact O-CA 3.44Å; D664-G667 PolarHBondContact O-N 3.1Å; G667-S671 WeakPolarHBondContact O-CA 3.03Å; G667-S671 WeakPolarHBondContact O-CB 3.26Å; G667-S671 PolarHBondContact O-N 2.79Å |
| 668 | E | 35.5 | Very low | 33.8 | Very low | 147 Ų | 147 | 96 Ų | 96 | 69% | 0.687 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -73.1 | -42.7 | 177.1 | -73.1 | -163 | 164.4 | 0 | 0 | 113.1 | D664 D665 F666 S671 F672 | D664-E668 PolarHBondContact O-N 3.22Å; D665-E668 PolarHBondContact O-N 3.36Å; F666-E668 VanDerWaalsContact C-N 3.32Å; E668-S671 CarbonylContact O-C 3.6Å; E668-S671 PolarHBondContact O-N 2.99Å; E668-F672 VanDerWaalsContact O-CB 3.24Å; E668-F672 WeakPolarHBondContact O-CB 3.25Å; E668-F672 PolarHBondContact O-N 3.21Å |
| 669 | F | 33.1 | Very low | 34.6 | Very low | 85 Ų | 85 | 103.2 Ų | 103.2 | 37% | 0.373 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 176.1 | -172.9 | -106 | 0 | 0 | 0 | 111.9 | D665 F672 L673 L702 | D665-F669 PolarHBondContact O-N 2.77Å; D665-F669 VanDerWaalsContact O-N 3.08Å; F669-F672 HydrophobicContact CD2-CD1 4.46Å; F669-F672 HydrophobicContact CE2-CD1 4.43Å; F669-F672 WeakPolarHBondContact O-CB 3.49Å; F669-F672 PolarHBondContact O-N 3.01Å; F669-L673 HydrophobicContact CD1-CD1 3.93Å; F669-L673 HydrophobicContact CE1-CD1 3.37Å; F669-L673 HydrophobicContact CE1-CG 4.17Å; F669-L673 HydrophobicContact CZ-CD1 3.77Å; F669-L673 HydrophobicContact CZ-CG 4.25Å; F669-L673 WeakPolarHBondContact O-CG 3.17Å; F669-L673 PolarHBondContact O-N 3.17Å; F669-L702 HydrophobicContact CD1-CD1 4.4Å; F669-L702 HydrophobicContact CE1-CD1 3.57Å; F669-L702 HydrophobicContact CZ-CD1 4.23Å |
| 670 | R | 35.2 | Very low | 35.5 | Very low | 63 Ų | 63 | 102.4 Ų | 102.4 | 24% | 0.238 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 171.4 | -177.1 | 174.2 | 177.2 | -137.3 | -18 | 111.6 | F666 F672 L673 E674 H716 | F666-R670 WeakPolarHBondContact O-CB 3.29Å; F666-R670 PolarHBondContact O-N 3.45Å; R670-F672 VanDerWaalsContact C-N 3.28Å; R670-F672 PolarHBondContact O-N 3.25Å; R670-L673 PolarHBondContact O-N 3.32Å; R670-E674 HydrophobicContact CG-CG 4.23Å; R670-E674 IonicContact CZ-OE1 2.74Å; R670-E674 VanDerWaalsContact CZ-OE1 3.27Å; R670-E674 IonicContact NE-OE1 3.1Å; R670-E674 PolarHBondContact NE-OE1 3.4Å; R670-E674 IonicContact NE-OE2 3.21Å; R670-E674 IonicContact NH2-OE1 2.74Å; R670-E674 PolarHBondContact NH2-OE1 3.06Å; R670-E674 IonicContact NH2-OE2 2.69Å; R670-E674 VanDerWaalsContact O-CB 3.3Å; R670-E674 WeakPolarHBondContact O-CB 3.38Å; R670-E674 WeakPolarHBondContact O-CG 3.12Å; R670-E674 PolarHBondContact O-N 3.45Å; R670-H716 PolarHBondContact NH1-CE1 2.85Å; R670-H716 PolarHBondContact NH1-ND1 3.45Å |
| 671 | S | 39 | Very low | 36.4 | Very low | 53 Ų | 53 | 99.3 Ų | 99.3 | 37% | 0.371 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 172.6 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | G667 E668 L673 N675 | G667-S671 WeakPolarHBondContact O-CA 3.03Å; G667-S671 WeakPolarHBondContact O-CB 3.26Å; G667-S671 PolarHBondContact O-N 2.79Å; E668-S671 CarbonylContact O-C 3.6Å; E668-S671 PolarHBondContact O-N 2.99Å; S671-L673 PolarHBondContact O-N 2.82Å; S671-N675 WeakPolarHBondContact O-CA 3.48Å; S671-N675 WeakPolarHBondContact O-CB 3.28Å; S671-N675 VanDerWaalsContact O-CG 3.24Å; S671-N675 PolarHBondContact O-N 3.35Å; S671-N675 PolarHBondContact O-ND2 3.36Å; S671-N675 VanDerWaalsContact O-ND2 3.09Å; S671-N675 PolarHBondContact OG-ND2 3.23Å |
| 672 | F | 35.6 | Very low | 37.2 | Very low | 113 Ų | 113 | 101.7 Ų | 101.7 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 176 | 175 | -98.5 | 0 | 0 | 0 | 112.1 | E668 F669 R670 R676 | E668-F672 VanDerWaalsContact O-CB 3.24Å; E668-F672 WeakPolarHBondContact O-CB 3.25Å; E668-F672 PolarHBondContact O-N 3.21Å; F669-F672 HydrophobicContact CD2-CD1 4.46Å; F669-F672 HydrophobicContact CE2-CD1 4.43Å; F669-F672 WeakPolarHBondContact O-CB 3.49Å; F669-F672 PolarHBondContact O-N 3.01Å; R670-F672 VanDerWaalsContact C-N 3.28Å; R670-F672 PolarHBondContact O-N 3.25Å; F672-R676 VanDerWaalsContact O-CB 3.3Å; F672-R676 WeakPolarHBondContact O-CB 3.22Å; F672-R676 PolarHBondContact O-N 2.96Å |
| 673 | L | 32.4 | Very low | 37.6 | Very low | 27 Ų | 27 | 96 Ų | 96 | 14% | 0.141 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -75.9 | -43.8 | 177.9 | -67.2 | 177.2 | 0 | 0 | 0 | 113 | F669 R670 S671 I699 | F669-L673 HydrophobicContact CD1-CD1 3.93Å; F669-L673 HydrophobicContact CE1-CD1 3.37Å; F669-L673 HydrophobicContact CE1-CG 4.17Å; F669-L673 HydrophobicContact CZ-CD1 3.77Å; F669-L673 HydrophobicContact CZ-CG 4.25Å; F669-L673 WeakPolarHBondContact O-CG 3.17Å; F669-L673 PolarHBondContact O-N 3.17Å; R670-L673 PolarHBondContact O-N 3.32Å; S671-L673 PolarHBondContact O-N 2.82Å; L673-I699 HydrophobicContact CB-CD1 4.19Å; L673-I699 HydrophobicContact CD1-CD1 3.71Å; L673-I699 HydrophobicContact CD1-CG1 3.43Å; L673-I699 VanDerWaalsContact CD1-CG1 3.43Å |
| 674 | E | 40.2 | Very low | 38.1 | Very low | 114 Ų | 114 | 96 Ų | 96 | 53% | 0.533 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.4 | -35.5 | 177.6 | -72 | -178.2 | -179.5 | 0 | 0 | 111.5 | R670 | R670-E674 HydrophobicContact CG-CG 4.23Å; R670-E674 IonicContact CZ-OE1 2.74Å; R670-E674 VanDerWaalsContact CZ-OE1 3.27Å; R670-E674 IonicContact NE-OE1 3.1Å; R670-E674 PolarHBondContact NE-OE1 3.4Å; R670-E674 IonicContact NE-OE2 3.21Å; R670-E674 IonicContact NH2-OE1 2.74Å; R670-E674 PolarHBondContact NH2-OE1 3.06Å; R670-E674 IonicContact NH2-OE2 2.69Å; R670-E674 VanDerWaalsContact O-CB 3.3Å; R670-E674 WeakPolarHBondContact O-CB 3.38Å; R670-E674 WeakPolarHBondContact O-CG 3.12Å; R670-E674 PolarHBondContact O-N 3.45Å |
| 675 | N | 41.5 | Very low | 38.4 | Very low | 105 Ų | 105 | 92 Ų | 92 | 56% | 0.561 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -90 | -8.3 | 179.8 | -64.6 | -42.9 | 0 | 0 | 0 | 114.4 | S671 H677 | S671-N675 WeakPolarHBondContact O-CA 3.48Å; S671-N675 WeakPolarHBondContact O-CB 3.28Å; S671-N675 VanDerWaalsContact O-CG 3.24Å; S671-N675 PolarHBondContact O-N 3.35Å; S671-N675 PolarHBondContact O-ND2 3.36Å; S671-N675 VanDerWaalsContact O-ND2 3.09Å; S671-N675 PolarHBondContact OG-ND2 3.23Å; N675-H677 PolarHBondContact O-N 3.39Å; N675-H677 VanDerWaalsContact O-N 3.07Å |
| 676 | R | 38.9 | Very low | 39.1 | Very low | 121 Ų | 121 | 90 Ų | 90 | 46% | 0.457 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.9 | 175.3 | -160.5 | 172.8 | 167.4 | 85 | -1.2 | 112.2 | F672 | F672-R676 VanDerWaalsContact O-CB 3.3Å; F672-R676 WeakPolarHBondContact O-CB 3.22Å; F672-R676 PolarHBondContact O-N 2.96Å |
| 677 | H | 48.4 | Very low | 39.7 | Very low | 36 Ų | 36 | 90.3 Ų | 90.3 | 17% | 0.167 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -143.4 | 92.1 | -169.1 | -63 | -54.2 | 0 | 0 | 0 | 112.9 | N675 C681 C683 C686 | N675-H677 PolarHBondContact O-N 3.39Å; N675-H677 VanDerWaalsContact O-N 3.07Å; H677-C681 HydrophobicContact CB-CB 4.39Å; H677-C683 PolarHBondContact ND1-SG 3.17Å; H677-C686 WeakPolarHBondContact CB-SG 3.02Å |
| 678 | K | 38.7 | Very low | 40.1 | Very low | 118 Ų | 118 | 90.1 Ų | 90.1 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | trans | -54 | 154.4 | 170.6 | -72 | -170.1 | -178 | -173.7 | 0 | 111.2 | M633 N680 C681 | M633-K678 HydrophobicContact SD-CD 4.29Å; M633-K678 WeakPolarHBondContact SD-CE 3.38Å; M633-K678 PolarHBondContact SD-NZ 2.78Å; K678-N680 PolarHBondContact O-N 3.28Å; K678-C681 PolarHBondContact O-N 3.08Å | ||
| 679 | R | 40.9 | Very low | 40.7 | Very low | 258 Ų | 258 | 84 Ų | 84 | 97% | 0.974 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -4.8 | -172 | -81.1 | -177.1 | 175.5 | 177.9 | -0.7 | 117.6 | ||
| 680 | N | 43.5 | Very low | 41.2 | Very low | 152 Ų | 152 | 80.7 Ų | 80.7 | 81% | 0.813 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.8 | 27.9 | 177.4 | -71.2 | -20.7 | 0 | 0 | 0 | 114.1 | K678 N682 | K678-N680 PolarHBondContact O-N 3.28Å; N680-N682 PolarHBondContact O-N 3.25Å |
| 681 | C | 43.6 | Very low | 41.6 | Very low | 43 Ų | 43 | 81.6 Ų | 81.6 | 29% | 0.291 | 41% | 0.406 | S | S | . | . | trans | -68 | 117.2 | 173.9 | -164.3 | 0 | 0 | 0 | 0 | 110.7 | H677 K678 C683 C686 | H677-C681 HydrophobicContact CB-CB 4.39Å; K678-C681 PolarHBondContact O-N 3.08Å; C681-C683 WeakPolarHBondContact CB-SG 3.4Å; C681-C683 PolarHBondContact O-N 3.01Å; C681-C683 WeakPolarHBondContact SG-CB 3.44Å; C681-C683 CovalentContact SG-SG 2.08Å; C681-C683 PolarHBondContact SG-SG 3.28Å; C681-C686 HydrophobicContact CB-CB 3.8Å; C681-C686 VanDerWaalsContact CB-SG 3.55Å; C681-C686 WeakPolarHBondContact O-CB 3.31Å | ||
| 682 | N | 43.2 | Very low | 42.1 | Very low | 168 Ų | 168 | 80 Ų | 80 | 90% | 0.898 | 39% | 0.392 | S | S | * | . | trans | -86.4 | 17.8 | 169.1 | -74.1 | -18.4 | 0 | 0 | 0 | 112.5 | N680 | N680-N682 PolarHBondContact O-N 3.25Š| ||
| 683 | C | 38.5 | Very low | 42.7 | Very low | 27 Ų | 27 | 75.1 Ų | 75.1 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -67.3 | 154.4 | 176.9 | 48.2 | 0 | 0 | 0 | 0 | 111.2 | H677 C681 A685 C686 G687 | H677-C683 PolarHBondContact ND1-SG 3.17Å; C681-C683 WeakPolarHBondContact CB-SG 3.4Å; C681-C683 PolarHBondContact O-N 3.01Å; C681-C683 WeakPolarHBondContact SG-CB 3.44Å; C681-C683 CovalentContact SG-SG 2.08Å; C681-C683 PolarHBondContact SG-SG 3.28Å; C683-A685 PolarHBondContact O-N 2.82Å; C683-C686 PolarHBondContact O-N 3.31Å; C683-C686 VanDerWaalsContact SG-CB 3.57Å; C683-C686 PolarHBondContact SG-SG 3.06Å; C683-G687 PolarHBondContact O-N 3Å |
| 684 | W | 39.6 | Very low | 43.2 | Very low | 129 Ų | 129 | 75.8 Ų | 75.8 | 49% | 0.489 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -53.1 | -41.6 | 178.7 | -179.5 | 88.8 | 0 | 0 | 0 | 111.4 | C622 C686 G687 N688 F691 | C622-W684 HydrophobicContact CB-CE3 4.12Å; C622-W684 HydrophobicContact CB-CZ3 4.33Å; C622-W684 VanDerWaalsContact SG-CD2 3.58Å; W684-C686 PolarHBondContact O-N 3.32Å; W684-G687 CarbonylContact O-C 3.52Å; W684-G687 PolarHBondContact O-N 3.03Å; W684-N688 HydrophobicContact CD2-CB 3.83Å; W684-N688 HydrophobicContact CE3-CB 4.14Å; W684-N688 HydrophobicContact CG-CB 4.27Å; W684-N688 HydrophobicContact CH2-CB 4.48Å; W684-N688 HydrophobicContact CZ2-CB 4.22Å; W684-N688 WeakPolarHBondContact CZ2-ND2 3.43Å; W684-N688 HydrophobicContact CZ3-CB 4.44Å; W684-N688 PolarHBondContact NE1-ND2 3.45Å; W684-N688 VanDerWaalsContact O-CA 3.26Å; W684-N688 WeakPolarHBondContact O-CA 3.33Å; W684-N688 WeakPolarHBondContact O-CB 3.27Å; W684-N688 PolarHBondContact O-N 3.24Å; W684-F691 HydrophobicContact CE3-CB 4.45Å; W684-F691 HydrophobicContact CH2-CB 4.24Å; W684-F691 HydrophobicContact CH2-CD2 4.4Å; W684-F691 HydrophobicContact CZ3-CB 3.8Å; W684-F691 AromaticContact CZ3-CD2 3.7Å; W684-F691 HydrophobicContact CZ3-CD2 3.7Å; W684-F691 AromaticContact CZ3-CG 3.88Å; W684-F691 HydrophobicContact CZ3-CG 3.88Å |
| 685 | A | 37.4 | Very low | 43.4 | Very low | 15 Ų | 15 | 72 Ų | 72 | 12% | 0.124 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C683 N688 F691 Q692 | C683-A685 PolarHBondContact O-N 2.82Å; A685-N688 CarbonylContact O-C 3.57Å; A685-N688 PolarHBondContact O-N 3.42Å; A685-N688 VanDerWaalsContact O-O 3.05Å; A685-F691 HydrophobicContact CB-CD1 3.49Å; A685-F691 VanDerWaalsContact CB-CD1 3.49Å; A685-F691 HydrophobicContact CB-CE1 3.69Å; A685-F691 HydrophobicContact CB-CG 4.32Å; A685-Q692 WeakPolarHBondContact O-CG 3.47Å; A685-Q692 PolarHBondContact O-NE2 3.24Å |
| 686 | C | 46.5 | Very low | 43.9 | Very low | 38 Ų | 38 | 67.6 Ų | 67.6 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -79.4 | -24.1 | -179.2 | -70.3 | 0 | 0 | 0 | 0 | 114.9 | H677 C681 C683 W684 Q692 | H677-C686 WeakPolarHBondContact CB-SG 3.02Å; C681-C686 HydrophobicContact CB-CB 3.8Å; C681-C686 VanDerWaalsContact CB-SG 3.55Å; C681-C686 WeakPolarHBondContact O-CB 3.31Å; C683-C686 PolarHBondContact O-N 3.31Å; C683-C686 VanDerWaalsContact SG-CB 3.57Å; C683-C686 PolarHBondContact SG-SG 3.06Å; W684-C686 PolarHBondContact O-N 3.32Å; C686-Q692 PolarHBondContact O-NE2 3.31Å |
| 687 | G | 46.1 | Very low | 44.3 | Very low | 54 Ų | 54 | 68.4 Ų | 68.4 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -86.6 | -22 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C683 W684 E689 | C683-G687 PolarHBondContact O-N 3Å; W684-G687 CarbonylContact O-C 3.52Å; W684-G687 PolarHBondContact O-N 3.03Å; G687-E689 PolarHBondContact O-N 3.47Å |
| 688 | N | 43.6 | Very low | 44 | Very low | 26 Ų | 26 | 71.7 Ų | 71.7 | 14% | 0.139 | 36% | 0.362 | C | S | . | . | trans | -95.1 | 89 | -178.4 | -167 | -50.2 | 0 | 0 | 0 | 108.9 | W684 A685 S690 F691 Q692 | W684-N688 HydrophobicContact CD2-CB 3.83Å; W684-N688 HydrophobicContact CE3-CB 4.14Å; W684-N688 HydrophobicContact CG-CB 4.27Å; W684-N688 HydrophobicContact CH2-CB 4.48Å; W684-N688 HydrophobicContact CZ2-CB 4.22Å; W684-N688 WeakPolarHBondContact CZ2-ND2 3.43Å; W684-N688 HydrophobicContact CZ3-CB 4.44Å; W684-N688 PolarHBondContact NE1-ND2 3.45Å; W684-N688 VanDerWaalsContact O-CA 3.26Å; W684-N688 WeakPolarHBondContact O-CA 3.33Å; W684-N688 WeakPolarHBondContact O-CB 3.27Å; W684-N688 PolarHBondContact O-N 3.24Å; A685-N688 CarbonylContact O-C 3.57Å; A685-N688 PolarHBondContact O-N 3.42Å; A685-N688 VanDerWaalsContact O-O 3.05Å; N688-S690 PolarHBondContact O-N 3.28Å; N688-S690 VanDerWaalsContact O-N 3.14Å; N688-S690 WeakPolarHBondContact OD1-CA 3.26Å; N688-S690 WeakPolarHBondContact OD1-CB 3.43Å; N688-S690 PolarHBondContact OD1-N 3.1Å; N688-S690 PolarHBondContact OD1-OG 2.96Å; N688-F691 HydrophobicContact CB-CB 4.16Å; N688-F691 WeakPolarHBondContact O-CB 3.32Å; N688-F691 PolarHBondContact O-N 2.88Å; N688-F691 PolarHBondContact OD1-N 3.07Å; N688-Q692 PolarHBondContact O-N 3.39Å; N688-Q692 VanDerWaalsContact O-N 3.12Å | ||
| 689 | E | 49.7 | Very low | 44.6 | Very low | 20 Ų | 20 | 67.8 Ų | 67.8 | 9% | 0.093 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.8 | -24.8 | 178.2 | -64.7 | 141.9 | 155.2 | 0 | 0 | 111.8 | G687 L693 Y731 Q734 | G687-E689 PolarHBondContact O-N 3.47Å; E689-L693 WeakPolarHBondContact O-CB 3.29Å; E689-L693 PolarHBondContact O-N 3.35Å; E689-Y731 HydrophobicContact CB-CD2 3.68Å; E689-Y731 HydrophobicContact CB-CE2 4.1Å; E689-Q734 PolarHBondContact OE1-NE2 3.26Å; E689-Q734 PolarHBondContact OE2-NE2 3.35Å |
| 690 | S | 43.2 | Very low | 45.1 | Very low | 15 Ų | 15 | 55.9 Ų | 55.9 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.4 | -40.2 | 173.7 | -31.8 | 0 | 0 | 0 | 0 | 112.3 | N688 L693 A694 Y731 | N688-S690 PolarHBondContact O-N 3.28Å; N688-S690 VanDerWaalsContact O-N 3.14Å; N688-S690 WeakPolarHBondContact OD1-CA 3.26Å; N688-S690 WeakPolarHBondContact OD1-CB 3.43Å; N688-S690 PolarHBondContact OD1-N 3.1Å; N688-S690 PolarHBondContact OD1-OG 2.96Å; S690-L693 PolarHBondContact O-N 2.8Å; S690-A694 PolarHBondContact O-N 3.5Å; S690-A694 VanDerWaalsContact O-N 3.08Å; S690-Y731 PolarHBondContact OG-OH 3.29Å; S690-Y731 VanDerWaalsContact OG-OH 3.09Å |
| 691 | F | 42.7 | Very low | 45.2 | Very low | 82 Ų | 82 | 56.2 Ų | 56.2 | 36% | 0.36 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.4 | -46 | 174.4 | -178 | -91.3 | 0 | 0 | 0 | 110.7 | W684 A685 N688 L693 A694 E695 | W684-F691 HydrophobicContact CE3-CB 4.45Å; W684-F691 HydrophobicContact CH2-CB 4.24Å; W684-F691 HydrophobicContact CH2-CD2 4.4Å; W684-F691 HydrophobicContact CZ3-CB 3.8Å; W684-F691 AromaticContact CZ3-CD2 3.7Å; W684-F691 HydrophobicContact CZ3-CD2 3.7Å; W684-F691 AromaticContact CZ3-CG 3.88Å; W684-F691 HydrophobicContact CZ3-CG 3.88Å; A685-F691 HydrophobicContact CB-CD1 3.49Å; A685-F691 VanDerWaalsContact CB-CD1 3.49Å; A685-F691 HydrophobicContact CB-CE1 3.69Å; A685-F691 HydrophobicContact CB-CG 4.32Å; N688-F691 HydrophobicContact CB-CB 4.16Å; N688-F691 WeakPolarHBondContact O-CB 3.32Å; N688-F691 PolarHBondContact O-N 2.88Å; N688-F691 PolarHBondContact OD1-N 3.07Å; F691-L693 PolarHBondContact O-N 3.41Å; F691-A694 PolarHBondContact O-N 2.84Å; F691-A694 VanDerWaalsContact O-N 3.13Å; F691-E695 HydrophobicContact CE1-CB 4.41Å; F691-E695 WeakPolarHBondContact O-CB 3.39Å; F691-E695 PolarHBondContact O-N 3.09Å |
| 692 | Q | 49.7 | Very low | 45.2 | Very low | 20 Ų | 20 | 56.8 Ų | 56.8 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.6 | -38.6 | 174.2 | -78 | 167.3 | 60.2 | 0 | 0 | 111.9 | A685 C686 N688 T696 L727 | A685-Q692 WeakPolarHBondContact O-CG 3.47Å; A685-Q692 PolarHBondContact O-NE2 3.24Å; C686-Q692 PolarHBondContact O-NE2 3.31Å; N688-Q692 PolarHBondContact O-N 3.39Å; N688-Q692 VanDerWaalsContact O-N 3.12Å; Q692-T696 VanDerWaalsContact O-CB 3.25Å; Q692-T696 WeakPolarHBondContact O-CB 3.49Å; Q692-T696 PolarHBondContact O-N 3.38Å; Q692-T696 PolarHBondContact O-OG1 2.95Å; Q692-L727 HydrophobicContact CB-CD1 3.78Å; Q692-L727 HydrophobicContact CB-CD2 3.88Å; Q692-L727 VanDerWaalsContact OE1-CD2 3.26Å |
| 693 | L | 47.9 | Very low | 45.5 | Very low | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 177.3 | -161.1 | 78 | 0 | 0 | 0 | 111.7 | E689 S690 F691 T696 Y697 I724 L727 Y728 | E689-L693 WeakPolarHBondContact O-CB 3.29Å; E689-L693 PolarHBondContact O-N 3.35Å; S690-L693 PolarHBondContact O-N 2.8Å; F691-L693 PolarHBondContact O-N 3.41Å; L693-T696 PolarHBondContact O-N 2.86Å; L693-Y697 PolarHBondContact O-N 2.84Å; L693-I724 HydrophobicContact CD1-CG2 4.13Å; L693-L727 HydrophobicContact CD1-CB 3.89Å; L693-L727 HydrophobicContact CD1-CD1 4.31Å; L693-Y728 HydrophobicContact CD1-CD2 3.99Å; L693-Y728 HydrophobicContact CD1-CE2 3.88Å; L693-Y728 HydrophobicContact CD1-CG 4.47Å; L693-Y728 HydrophobicContact CD2-CE1 4.06Å; L693-Y728 HydrophobicContact CD2-CE2 4.2Å |
| 694 | A | 43.3 | Very low | 46.2 | Very low | 41 Ų | 41 | 52 Ų | 52 | 34% | 0.339 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S690 F691 Y697 L698 L759 | S690-A694 PolarHBondContact O-N 3.5Å; S690-A694 VanDerWaalsContact O-N 3.08Å; F691-A694 PolarHBondContact O-N 2.84Å; F691-A694 VanDerWaalsContact O-N 3.13Å; A694-Y697 WeakPolarHBondContact O-CB 3.24Å; A694-Y697 PolarHBondContact O-N 3.31Å; A694-L698 PolarHBondContact O-N 3.11Å; A694-L759 HydrophobicContact CB-CD1 4.28Å |
| 695 | E | 44.6 | Very low | 46.4 | Very low | 34 Ų | 34 | 52.6 Ų | 52.6 | 16% | 0.159 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 174.7 | -177.5 | 176.8 | -148.3 | 0 | 0 | 111.1 | F691 Y697 L698 I699 | F691-E695 HydrophobicContact CE1-CB 4.41Å; F691-E695 WeakPolarHBondContact O-CB 3.39Å; F691-E695 PolarHBondContact O-N 3.09Å; E695-Y697 VanDerWaalsContact C-N 3.27Å; E695-Y697 PolarHBondContact O-N 3.47Å; E695-L698 PolarHBondContact O-N 2.62Å; E695-L698 VanDerWaalsContact O-N 3.14Å; E695-I699 HydrophobicContact CG-CD1 4.21Å; E695-I699 VanDerWaalsContact O-CG1 3.32Å; E695-I699 WeakPolarHBondContact O-CG1 2.73Å; E695-I699 PolarHBondContact O-N 3.2Å |
| 696 | T | 51.7 | Low | 46.6 | Very low | 14 Ų | 14 | 52.5 Ų | 52.5 | 9% | 0.086 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 178 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | Q692 L693 G700 V720 R723 I724 | Q692-T696 VanDerWaalsContact O-CB 3.25Å; Q692-T696 WeakPolarHBondContact O-CB 3.49Å; Q692-T696 PolarHBondContact O-N 3.38Å; Q692-T696 PolarHBondContact O-OG1 2.95Å; L693-T696 PolarHBondContact O-N 2.86Å; T696-G700 PolarHBondContact O-N 3.4Å; T696-V720 HydrophobicContact CG2-CG1 4Å; T696-V720 WeakPolarHBondContact O-CG1 3.45Å; T696-R723 HydrophobicContact CG2-CB 3.94Å; T696-R723 HydrophobicContact CG2-CG 3.92Å; T696-I724 HydrophobicContact CG2-CD1 4.27Å; T696-I724 HydrophobicContact CG2-CG1 3.64Å |
| 697 | Y | 47.7 | Very low | 46.6 | Very low | 138 Ų | 138 | 56.7 Ų | 56.7 | 54% | 0.541 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 173.7 | -114.5 | -80.3 | 0 | 0 | 0 | 113.2 | L693 A694 E695 I699 G700 R701 I724 | L693-Y697 PolarHBondContact O-N 2.84Å; A694-Y697 WeakPolarHBondContact O-CB 3.24Å; A694-Y697 PolarHBondContact O-N 3.31Å; E695-Y697 VanDerWaalsContact C-N 3.27Å; E695-Y697 PolarHBondContact O-N 3.47Å; Y697-I699 VanDerWaalsContact C-N 3.33Å; Y697-G700 PolarHBondContact O-N 2.96Å; Y697-R701 PolarHBondContact O-N 3.17Å; Y697-I724 HydrophobicContact CD2-CD1 3.87Å; Y697-I724 HydrophobicContact CD2-CG1 4.5Å; Y697-I724 HydrophobicContact CE2-CD1 3.95Å; Y697-I724 HydrophobicContact CG-CD1 4.41Å |
| 698 | L | 42.9 | Very low | 46.4 | Very low | 105 Ų | 105 | 56 Ų | 56 | 55% | 0.55 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 176.7 | -176.3 | 69.4 | 0 | 0 | 0 | 110.7 | A694 E695 G700 R701 L702 | A694-L698 PolarHBondContact O-N 3.11Å; E695-L698 PolarHBondContact O-N 2.62Å; E695-L698 VanDerWaalsContact O-N 3.14Å; L698-G700 VanDerWaalsContact C-N 3.32Å; L698-G700 PolarHBondContact O-N 3.15Å; L698-R701 PolarHBondContact O-N 3.41Å; L698-L702 HydrophobicContact CG-CD1 4.06Å; L698-L702 WeakPolarHBondContact O-CG 3.1Å; L698-L702 PolarHBondContact O-N 3.01Å |
| 699 | I | 49.4 | Very low | 46.5 | Very low | 35 Ų | 35 | 65.8 Ų | 65.8 | 18% | 0.179 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.5 | -48.2 | 173.4 | -67.8 | 167.9 | 0 | 0 | 0 | 110.1 | L673 E695 Y697 R701 L702 I703 V720 | L673-I699 HydrophobicContact CB-CD1 4.19Å; L673-I699 HydrophobicContact CD1-CD1 3.71Å; L673-I699 HydrophobicContact CD1-CG1 3.43Å; L673-I699 VanDerWaalsContact CD1-CG1 3.43Å; E695-I699 HydrophobicContact CG-CD1 4.21Å; E695-I699 VanDerWaalsContact O-CG1 3.32Å; E695-I699 WeakPolarHBondContact O-CG1 2.73Å; E695-I699 PolarHBondContact O-N 3.2Å; Y697-I699 VanDerWaalsContact C-N 3.33Å; I699-R701 PolarHBondContact O-N 3.48Å; I699-L702 PolarHBondContact O-N 2.8Å; I699-I703 HydrophobicContact CG2-CD1 3.66Å; I699-I703 HydrophobicContact CG2-CG1 4.42Å; I699-I703 WeakPolarHBondContact O-CD1 3.4Å; I699-I703 VanDerWaalsContact O-CG1 3.26Å; I699-I703 WeakPolarHBondContact O-CG1 3.45Å; I699-I703 PolarHBondContact O-N 3.33Å; I699-V720 HydrophobicContact CG2-CG2 3.96Å |
| 700 | G | 52.2 | Low | 46.6 | Very low | 9 Ų | 9 | 67.2 Ų | 67.2 | 9% | 0.093 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -54.8 | -47.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T696 Y697 L698 I703 E704 | T696-G700 PolarHBondContact O-N 3.4Å; Y697-G700 PolarHBondContact O-N 2.96Å; L698-G700 VanDerWaalsContact C-N 3.32Å; L698-G700 PolarHBondContact O-N 3.15Å; G700-I703 PolarHBondContact O-N 3.17Å; G700-E704 PolarHBondContact O-N 2.99Å |
| 701 | R | 46.4 | Very low | 47 | Very low | 159 Ų | 159 | 70.3 Ų | 70.3 | 60% | 0.6 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.8 | -37.7 | 178.6 | -89.3 | -54.6 | -157.8 | 177.6 | 3 | 113.4 | Y697 L698 I699 E704 L705 | Y697-R701 PolarHBondContact O-N 3.17Å; L698-R701 PolarHBondContact O-N 3.41Å; I699-R701 PolarHBondContact O-N 3.48Å; R701-E704 WeakPolarHBondContact CD-OE2 3.25Å; R701-E704 IonicContact CZ-OE2 3.51Å; R701-E704 IonicContact NE-OE2 3.28Å; R701-E704 IonicContact NH1-OE1 2.83Å; R701-E704 IonicContact NH1-OE2 3.67Å; R701-E704 PolarHBondContact NH1-OE2 2.68Å; R701-E704 WeakPolarHBondContact O-CB 3.1Å; R701-E704 PolarHBondContact O-N 2.99Å; R701-L705 WeakPolarHBondContact O-CG 3.37Å; R701-L705 PolarHBondContact O-N 3.39Å |
| 702 | L | 42.7 | Very low | 47.4 | Very low | 55 Ų | 55 | 74.9 Ų | 74.9 | 29% | 0.288 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 176.3 | -70.6 | 169.4 | 0 | 0 | 0 | 111.1 | F666 F669 L698 I699 E704 L705 S706 | F666-L702 HydrophobicContact CE2-CB 4.29Å; F666-L702 WeakPolarHBondContact CE2-O 3.37Å; F666-L702 HydrophobicContact CZ-CB 3.78Å; F666-L702 WeakPolarHBondContact CZ-O 3.35Å; F669-L702 HydrophobicContact CD1-CD1 4.4Å; F669-L702 HydrophobicContact CE1-CD1 3.57Å; F669-L702 HydrophobicContact CZ-CD1 4.23Å; L698-L702 HydrophobicContact CG-CD1 4.06Å; L698-L702 WeakPolarHBondContact O-CG 3.1Å; L698-L702 PolarHBondContact O-N 3.01Å; I699-L702 PolarHBondContact O-N 2.8Å; L702-E704 VanDerWaalsContact C-N 3.26Å; L702-E704 PolarHBondContact O-N 2.96Å; L702-L705 CarbonylContact O-C 3.59Å; L702-L705 PolarHBondContact O-N 3.11Å; L702-L705 VanDerWaalsContact O-N 3.15Å; L702-S706 PolarHBondContact O-N 3.33Å |
| 703 | I | 50.8 | Low | 47.4 | Very low | 3 Ų | 3 | 76.1 Ų | 76.1 | 2% | 0.015 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 173.3 | -68.2 | 158 | 0 | 0 | 0 | 109.8 | F666 I699 G700 L705 S706 K713 H716 L717 V720 | F666-I703 HydrophobicContact CE1-CB 4.42Å; F666-I703 HydrophobicContact CE1-CG1 3.5Å; F666-I703 VanDerWaalsContact CE1-CG1 3.5Å; F666-I703 HydrophobicContact CZ-CB 4.43Å; F666-I703 HydrophobicContact CZ-CG1 3.9Å; I699-I703 HydrophobicContact CG2-CD1 3.66Å; I699-I703 HydrophobicContact CG2-CG1 4.42Å; I699-I703 WeakPolarHBondContact O-CD1 3.4Å; I699-I703 VanDerWaalsContact O-CG1 3.26Å; I699-I703 WeakPolarHBondContact O-CG1 3.45Å; I699-I703 PolarHBondContact O-N 3.33Å; G700-I703 PolarHBondContact O-N 3.17Å; I703-L705 VanDerWaalsContact C-N 3.29Å; I703-L705 PolarHBondContact O-N 3.3Å; I703-S706 WeakPolarHBondContact O-CB 3.38Å; I703-S706 PolarHBondContact O-N 3.03Å; I703-S706 VanDerWaalsContact O-N 3.16Å; I703-S706 PolarHBondContact O-OG 3.14Å; I703-K713 HydrophobicContact CG2-CG 4.08Å; I703-K713 VanDerWaalsContact O-CE 3.22Å; I703-K713 WeakPolarHBondContact O-CE 3.15Å; I703-H716 HydrophobicContact CD1-CB 3.93Å; I703-H716 HydrophobicContact CG1-CB 4.4Å; I703-H716 HydrophobicContact CG2-CB 3.89Å; I703-L717 HydrophobicContact CB-CD2 4.26Å; I703-L717 HydrophobicContact CG2-CD2 4.02Å; I703-L717 HydrophobicContact CG2-CG 3.9Å; I703-V720 HydrophobicContact CD1-CG2 3.67Å |
| 704 | E | 52.6 | Low | 47.9 | Very low | 91 Ų | 91 | 81.3 Ų | 81.3 | 43% | 0.425 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.9 | -32.7 | 176.2 | -126.7 | -177.8 | 176.4 | 0 | 0 | 113.5 | G700 R701 L702 K713 | G700-E704 PolarHBondContact O-N 2.99Å; R701-E704 WeakPolarHBondContact CD-OE2 3.25Å; R701-E704 IonicContact CZ-OE2 3.51Å; R701-E704 IonicContact NE-OE2 3.28Å; R701-E704 IonicContact NH1-OE1 2.83Å; R701-E704 IonicContact NH1-OE2 3.67Å; R701-E704 PolarHBondContact NH1-OE2 2.68Å; R701-E704 WeakPolarHBondContact O-CB 3.1Å; R701-E704 PolarHBondContact O-N 2.99Å; L702-E704 VanDerWaalsContact C-N 3.26Å; L702-E704 PolarHBondContact O-N 2.96Å; E704-K713 VanDerWaalsContact O-CE 3.29Å; E704-K713 WeakPolarHBondContact O-CE 3.39Å; E704-K713 PolarHBondContact O-NZ 2.98Å |
| 705 | L | 42.5 | Very low | 48.9 | Very low | 142 Ų | 142 | 81.6 Ų | 81.6 | 74% | 0.743 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -84.6 | -14.4 | 175.9 | -68.4 | 168.5 | 0 | 0 | 0 | 113.3 | R701 L702 I703 | R701-L705 WeakPolarHBondContact O-CG 3.37Å; R701-L705 PolarHBondContact O-N 3.39Å; L702-L705 CarbonylContact O-C 3.59Å; L702-L705 PolarHBondContact O-N 3.11Å; L702-L705 VanDerWaalsContact O-N 3.15Å; I703-L705 VanDerWaalsContact C-N 3.29Å; I703-L705 PolarHBondContact O-N 3.3Å |
| 706 | S | 42.5 | Very low | 49.5 | Very low | 13 Ų | 13 | 81.6 Ų | 81.6 | 9% | 0.091 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -66.2 | 149.4 | -179.7 | 78.5 | 0 | 0 | 0 | 0 | 112.5 | L702 I703 Q708 K713 | L702-S706 PolarHBondContact O-N 3.33Å; I703-S706 WeakPolarHBondContact O-CB 3.38Å; I703-S706 PolarHBondContact O-N 3.03Å; I703-S706 VanDerWaalsContact O-N 3.16Å; I703-S706 PolarHBondContact O-OG 3.14Å; S706-Q708 PolarHBondContact O-N 3.26Å; S706-K713 PolarHBondContact O-NZ 2.74Å; S706-K713 VanDerWaalsContact O-NZ 3.14Å |
| 707 | S | 45.8 | Very low | 49.5 | Very low | 125 Ų | 125 | 83.4 Ų | 83.4 | 87% | 0.874 | 42% | 0.422 | S | S | * | . | trans | -72 | -0.2 | 176.1 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 708 | Q | 43 | Very low | 50.4 | Low | 41 Ų | 41 | 82.7 Ų | 82.7 | 19% | 0.192 | 42% | 0.423 | C | S | . | . | trans | -64.2 | 136.9 | -179.2 | -68.3 | -168.4 | -9.7 | 0 | 0 | 112.3 | S706 K713 H716 | S706-Q708 PolarHBondContact O-N 3.26Å; Q708-K713 HydrophobicContact CB-CB 4.45Å; Q708-K713 WeakPolarHBondContact O-CD 3.39Å; Q708-H716 PolarHBondContact OE1-CD2 2.81Å | ||
| 709 | R | 45.2 | Very low | 51.5 | Low | 230 Ų | 230 | 83 Ų | 83 | 87% | 0.868 | 42% | 0.421 | S | S | * | . | trans | -84.5 | 134.4 | -177.3 | -68 | -173.1 | -179.3 | -175.5 | 2.8 | 113 | A711 | R709-A711 PolarHBondContact O-N 3.47Š| ||
| 710 | G | 51.2 | Low | 51.9 | Low | 51 Ų | 51 | 82.2 Ų | 82.2 | 53% | 0.526 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | 47.9 | -99.1 | 156.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | M714 | G710-M714 PolarHBondContact O-N 2.85Å; G710-M714 VanDerWaalsContact O-N 3.12Å |
| 711 | A | 52 | Low | 52 | Low | 80 Ų | 80 | 85.4 Ų | 85.4 | 66% | 0.661 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -69.7 | -41.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R709 M714 S715 | R709-A711 PolarHBondContact O-N 3.47Å; A711-M714 PolarHBondContact O-N 2.8Å; A711-S715 PolarHBondContact O-N 3.35Å |
| 712 | R | 50.5 | Low | 53 | Low | 177 Ų | 177 | 84.6 Ų | 84.6 | 67% | 0.668 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.6 | -42 | 179.2 | -78.8 | -173.5 | -180 | 179.8 | 0.7 | 111.5 | M714 S715 H716 | R712-M714 PolarHBondContact O-N 2.98Å; R712-S715 PolarHBondContact O-N 3.23Å; R712-H716 PolarHBondContact O-CD2 2.97Å; R712-H716 PolarHBondContact O-N 3.47Å |
| 713 | K | 50.8 | Low | 54 | Low | 47 Ų | 47 | 88.6 Ų | 88.6 | 20% | 0.204 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 175.5 | -173.1 | 170.5 | -178.2 | 161 | 0 | 111.6 | I703 E704 S706 Q708 H716 L717 | I703-K713 HydrophobicContact CG2-CG 4.08Å; I703-K713 VanDerWaalsContact O-CE 3.22Å; I703-K713 WeakPolarHBondContact O-CE 3.15Å; E704-K713 VanDerWaalsContact O-CE 3.29Å; E704-K713 WeakPolarHBondContact O-CE 3.39Å; E704-K713 PolarHBondContact O-NZ 2.98Å; S706-K713 PolarHBondContact O-NZ 2.74Å; S706-K713 VanDerWaalsContact O-NZ 3.14Å; Q708-K713 HydrophobicContact CB-CB 4.45Å; Q708-K713 WeakPolarHBondContact O-CD 3.39Å; K713-H716 PolarHBondContact O-N 3.41Å; K713-L717 HydrophobicContact CG-CD1 4.22Å; K713-L717 WeakPolarHBondContact O-CG 3.49Å; K713-L717 PolarHBondContact O-N 3.2Å |
| 714 | M | 58.4 | Low | 54 | Low | 117 Ų | 117 | 89.7 Ų | 89.7 | 58% | 0.576 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.3 | -47.6 | 174.4 | -104.6 | 144.3 | 58.7 | 0 | 0 | 112.4 | G710 A711 R712 H716 L717 E718 | G710-M714 PolarHBondContact O-N 2.85Å; G710-M714 VanDerWaalsContact O-N 3.12Å; A711-M714 PolarHBondContact O-N 2.8Å; R712-M714 PolarHBondContact O-N 2.98Å; M714-H716 VanDerWaalsContact C-N 3.27Å; M714-H716 PolarHBondContact O-N 3.02Å; M714-L717 PolarHBondContact O-N 3.32Å; M714-L717 VanDerWaalsContact O-N 3.14Å; M714-E718 WeakPolarHBondContact O-CG 3.48Å; M714-E718 PolarHBondContact O-N 3.3Å |
| 715 | S | 63.8 | Low | 54.2 | Low | 48 Ų | 48 | 87.9 Ų | 87.9 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.9 | -38.3 | 176.6 | 175.6 | 0 | 0 | 0 | 0 | 112.9 | A711 R712 K719 | A711-S715 PolarHBondContact O-N 3.35Å; R712-S715 PolarHBondContact O-N 3.23Å; S715-K719 WeakPolarHBondContact O-CG 3.37Å; S715-K719 PolarHBondContact O-N 3.37Å; S715-K719 VanDerWaalsContact O-N 3.15Å |
| 716 | H | 57.6 | Low | 55.2 | Low | 33 Ų | 33 | 83.8 Ų | 83.8 | 15% | 0.153 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -70.3 | -41.5 | 176 | -68.6 | -40.6 | 0 | 0 | 0 | 112.5 | R670 I703 Q708 R712 K713 M714 E718 K719 V720 | R670-H716 PolarHBondContact NH1-CE1 2.85Å; R670-H716 PolarHBondContact NH1-ND1 3.45Å; I703-H716 HydrophobicContact CD1-CB 3.93Å; I703-H716 HydrophobicContact CG1-CB 4.4Å; I703-H716 HydrophobicContact CG2-CB 3.89Å; Q708-H716 PolarHBondContact OE1-CD2 2.81Å; R712-H716 PolarHBondContact O-CD2 2.97Å; R712-H716 PolarHBondContact O-N 3.47Å; K713-H716 PolarHBondContact O-N 3.41Å; M714-H716 VanDerWaalsContact C-N 3.27Å; M714-H716 PolarHBondContact O-N 3.02Å; H716-E718 VanDerWaalsContact C-N 3.33Å; H716-E718 PolarHBondContact O-N 3.19Å; H716-K719 PolarHBondContact O-N 2.9Å; H716-V720 WeakPolarHBondContact O-CG2 3.4Å; H716-V720 PolarHBondContact O-N 2.82Å |
| 717 | L | 52.4 | Low | 55.9 | Low | 53 Ų | 53 | 83.5 Ų | 83.5 | 28% | 0.277 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 175 | -70.9 | 169.5 | 0 | 0 | 0 | 112.1 | I703 K713 M714 V720 S721 | I703-L717 HydrophobicContact CB-CD2 4.26Å; I703-L717 HydrophobicContact CG2-CD2 4.02Å; I703-L717 HydrophobicContact CG2-CG 3.9Å; K713-L717 HydrophobicContact CG-CD1 4.22Å; K713-L717 WeakPolarHBondContact O-CG 3.49Å; K713-L717 PolarHBondContact O-N 3.2Å; M714-L717 PolarHBondContact O-N 3.32Å; M714-L717 VanDerWaalsContact O-N 3.14Å; L717-V720 PolarHBondContact O-N 3.2Å; L717-S721 WeakPolarHBondContact O-CB 3.41Å; L717-S721 PolarHBondContact O-N 3.49Å |
| 718 | E | 65.5 | Low | 56.1 | Low | 122 Ų | 122 | 80.7 Ų | 80.7 | 57% | 0.57 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62 | -47.1 | 173.4 | -76.7 | 173.4 | 167.5 | 0 | 0 | 111.6 | M714 H716 V720 S721 E722 | M714-E718 WeakPolarHBondContact O-CG 3.48Å; M714-E718 PolarHBondContact O-N 3.3Å; H716-E718 VanDerWaalsContact C-N 3.33Å; H716-E718 PolarHBondContact O-N 3.19Å; E718-V720 VanDerWaalsContact C-N 3.33Å; E718-V720 PolarHBondContact O-N 3.4Å; E718-S721 WeakPolarHBondContact O-CB 3.44Å; E718-S721 PolarHBondContact O-N 3.44Å; E718-S721 VanDerWaalsContact O-N 3.15Å; E718-E722 PolarHBondContact O-N 3.35Å |
| 719 | K | 65.9 | Low | 56.9 | Low | 113 Ų | 113 | 85.1 Ų | 85.1 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 175.6 | -74.6 | -179.9 | 179.8 | -179.9 | 0 | 112.9 | S715 H716 S721 R723 | S715-K719 WeakPolarHBondContact O-CG 3.37Å; S715-K719 PolarHBondContact O-N 3.37Å; S715-K719 VanDerWaalsContact O-N 3.15Å; H716-K719 PolarHBondContact O-N 2.9Å; K719-S721 VanDerWaalsContact C-N 3.34Å; K719-R723 WeakPolarHBondContact O-CB 3.49Å; K719-R723 PolarHBondContact O-N 3.13Å |
| 720 | V | 57.5 | Low | 57.6 | Low | 18 Ų | 18 | 81.9 Ų | 81.9 | 11% | 0.109 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 174.3 | 165.6 | 0 | 0 | 0 | 0 | 110.3 | T696 I699 I703 H716 L717 E718 R723 I724 | T696-V720 HydrophobicContact CG2-CG1 4Å; T696-V720 WeakPolarHBondContact O-CG1 3.45Å; I699-V720 HydrophobicContact CG2-CG2 3.96Å; I703-V720 HydrophobicContact CD1-CG2 3.67Å; H716-V720 WeakPolarHBondContact O-CG2 3.4Å; H716-V720 PolarHBondContact O-N 2.82Å; L717-V720 PolarHBondContact O-N 3.2Å; E718-V720 VanDerWaalsContact C-N 3.33Å; E718-V720 PolarHBondContact O-N 3.4Å; V720-R723 PolarHBondContact O-N 3.28Å; V720-I724 HydrophobicContact CG1-CD1 3.88Å; V720-I724 VanDerWaalsContact O-CG1 3.3Å; V720-I724 WeakPolarHBondContact O-CG1 3.36Å; V720-I724 PolarHBondContact O-N 2.9Å |
| 721 | S | 55.5 | Low | 57.4 | Low | 76 Ų | 76 | 81 Ų | 81 | 53% | 0.531 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 176.9 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | L717 E718 K719 R723 I724 A725 | L717-S721 WeakPolarHBondContact O-CB 3.41Å; L717-S721 PolarHBondContact O-N 3.49Å; E718-S721 WeakPolarHBondContact O-CB 3.44Å; E718-S721 PolarHBondContact O-N 3.44Å; E718-S721 VanDerWaalsContact O-N 3.15Å; K719-S721 VanDerWaalsContact C-N 3.34Å; S721-R723 VanDerWaalsContact C-N 3.3Å; S721-R723 PolarHBondContact O-N 2.9Å; S721-I724 PolarHBondContact O-N 3.18Å; S721-A725 PolarHBondContact O-N 3.37Å |
| 722 | E | 67.2 | Low | 57.2 | Low | 141 Ų | 141 | 80.3 Ų | 80.3 | 66% | 0.659 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59 | -41.8 | 175.5 | -75.2 | -177.4 | 168.6 | 0 | 0 | 112 | E718 A725 A726 | E718-E722 PolarHBondContact O-N 3.35Å; E722-A725 PolarHBondContact O-N 2.68Å; E722-A726 WeakPolarHBondContact O-CB 3.23Å; E722-A726 PolarHBondContact O-N 2.85Å |
| 723 | R | 62.6 | Low | 57.3 | Low | 140 Ų | 140 | 78.7 Ų | 78.7 | 53% | 0.528 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 178 | -171 | 69.1 | 178.2 | -171.3 | 0.9 | 111.7 | T696 K719 V720 S721 A726 L727 | T696-R723 HydrophobicContact CG2-CB 3.94Å; T696-R723 HydrophobicContact CG2-CG 3.92Å; K719-R723 WeakPolarHBondContact O-CB 3.49Å; K719-R723 PolarHBondContact O-N 3.13Å; V720-R723 PolarHBondContact O-N 3.28Å; S721-R723 VanDerWaalsContact C-N 3.3Å; S721-R723 PolarHBondContact O-N 2.9Å; R723-A726 PolarHBondContact O-N 2.8Å; R723-L727 HydrophobicContact CG-CD1 4.27Å; R723-L727 VanDerWaalsContact O-CG 3.3Å; R723-L727 WeakPolarHBondContact O-CG 3.41Å; R723-L727 PolarHBondContact O-N 2.9Å |
| 724 | I | 50.4 | Low | 57.3 | Low | 25 Ų | 25 | 81 Ų | 81 | 13% | 0.128 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58 | -49.5 | 174.2 | -73.3 | 169.9 | 0 | 0 | 0 | 109.8 | L693 T696 Y697 V720 S721 A726 L727 Y728 | L693-I724 HydrophobicContact CD1-CG2 4.13Å; T696-I724 HydrophobicContact CG2-CD1 4.27Å; T696-I724 HydrophobicContact CG2-CG1 3.64Å; Y697-I724 HydrophobicContact CD2-CD1 3.87Å; Y697-I724 HydrophobicContact CD2-CG1 4.5Å; Y697-I724 HydrophobicContact CE2-CD1 3.95Å; Y697-I724 HydrophobicContact CG-CD1 4.41Å; V720-I724 HydrophobicContact CG1-CD1 3.88Å; V720-I724 VanDerWaalsContact O-CG1 3.3Å; V720-I724 WeakPolarHBondContact O-CG1 3.36Å; V720-I724 PolarHBondContact O-N 2.9Å; S721-I724 PolarHBondContact O-N 3.18Å; I724-A726 PolarHBondContact O-N 2.86Å; I724-L727 PolarHBondContact O-N 3.46Å; I724-Y728 HydrophobicContact CG2-CD2 3.57Å; I724-Y728 HydrophobicContact CG2-CE2 3.42Å; I724-Y728 VanDerWaalsContact CG2-CE2 3.42Å; I724-Y728 WeakPolarHBondContact O-CD2 3.33Å; I724-Y728 PolarHBondContact O-N 3.06Å |
| 725 | A | 57 | Low | 56.5 | Low | 53 Ų | 53 | 76.9 Ų | 76.9 | 44% | 0.438 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S721 E722 Y728 Q729 | S721-A725 PolarHBondContact O-N 3.37Å; E722-A725 PolarHBondContact O-N 2.68Å; A725-Y728 PolarHBondContact O-N 3.42Å; A725-Q729 PolarHBondContact O-N 2.95Å |
| 726 | A | 65 | Low | 55.6 | Low | 56 Ų | 56 | 75.4 Ų | 75.4 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E722 R723 I724 Q729 R730 | E722-A726 WeakPolarHBondContact O-CB 3.23Å; E722-A726 PolarHBondContact O-N 2.85Å; R723-A726 PolarHBondContact O-N 2.8Å; I724-A726 PolarHBondContact O-N 2.86Å; A726-Q729 PolarHBondContact O-N 3.25Å; A726-R730 PolarHBondContact O-N 2.68Å; A726-R730 VanDerWaalsContact O-N 3.14Å |
| 727 | L | 57.5 | Low | 55.1 | Low | 7 Ų | 7 | 82.7 Ų | 82.7 | 4% | 0.037 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 175.7 | -71.7 | 169.7 | 0 | 0 | 0 | 111.3 | Q692 L693 R723 I724 R730 Y731 | Q692-L727 HydrophobicContact CB-CD1 3.78Å; Q692-L727 HydrophobicContact CB-CD2 3.88Å; Q692-L727 VanDerWaalsContact OE1-CD2 3.26Å; L693-L727 HydrophobicContact CD1-CB 3.89Å; L693-L727 HydrophobicContact CD1-CD1 4.31Å; R723-L727 HydrophobicContact CG-CD1 4.27Å; R723-L727 VanDerWaalsContact O-CG 3.3Å; R723-L727 WeakPolarHBondContact O-CG 3.41Å; R723-L727 PolarHBondContact O-N 2.9Å; I724-L727 PolarHBondContact O-N 3.46Å; L727-R730 PolarHBondContact O-N 3.13Å; L727-Y731 PolarHBondContact O-N 3.24Å |
| 728 | Y | 49.8 | Very low | 54.7 | Low | 66 Ų | 66 | 82 Ų | 82 | 26% | 0.259 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 174.5 | -88.7 | -65.2 | 0 | 0 | 0 | 113 | L693 I724 A725 R730 Y731 L732 L757 | L693-Y728 HydrophobicContact CD1-CD2 3.99Å; L693-Y728 HydrophobicContact CD1-CE2 3.88Å; L693-Y728 HydrophobicContact CD1-CG 4.47Å; L693-Y728 HydrophobicContact CD2-CE1 4.06Å; L693-Y728 HydrophobicContact CD2-CE2 4.2Å; I724-Y728 HydrophobicContact CG2-CD2 3.57Å; I724-Y728 HydrophobicContact CG2-CE2 3.42Å; I724-Y728 VanDerWaalsContact CG2-CE2 3.42Å; I724-Y728 WeakPolarHBondContact O-CD2 3.33Å; I724-Y728 PolarHBondContact O-N 3.06Å; A725-Y728 PolarHBondContact O-N 3.42Å; Y728-R730 VanDerWaalsContact C-N 3.31Å; Y728-R730 PolarHBondContact O-N 2.79Å; Y728-Y731 PolarHBondContact O-N 2.8Å; Y728-L732 PolarHBondContact O-N 3.46Å; Y728-L757 HydrophobicContact CE1-CB 4.13Å; Y728-L757 VanDerWaalsContact CE1-O 3.28Å; Y728-L757 WeakPolarHBondContact CE1-O 3.43Å; Y728-L757 PolarHBondContact OH-O 3.49Å |
| 729 | Q | 58.2 | Low | 53.3 | Low | 135 Ų | 135 | 78.9 Ų | 78.9 | 63% | 0.631 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58.3 | -40.6 | 177.2 | -86.2 | -104.1 | -18.1 | 0 | 0 | 112.4 | A725 A726 K733 | A725-Q729 PolarHBondContact O-N 2.95Å; A726-Q729 PolarHBondContact O-N 3.25Å; Q729-K733 PolarHBondContact O-N 2.87Å |
| 730 | R | 59.8 | Low | 52.2 | Low | 162 Ų | 162 | 78.7 Ų | 78.7 | 61% | 0.611 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.6 | -44.7 | 174.7 | -111.1 | -176.4 | -176 | 177.1 | 0.1 | 112.1 | A726 L727 Y728 K733 Q734 | A726-R730 PolarHBondContact O-N 2.68Å; A726-R730 VanDerWaalsContact O-N 3.14Å; L727-R730 PolarHBondContact O-N 3.13Å; Y728-R730 VanDerWaalsContact C-N 3.31Å; Y728-R730 PolarHBondContact O-N 2.79Å; R730-K733 PolarHBondContact O-N 3.36Å; R730-Q734 PolarHBondContact O-N 2.92Å |
| 731 | Y | 48.4 | Very low | 51.5 | Low | 32 Ų | 32 | 82.9 Ų | 82.9 | 13% | 0.125 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | -178.3 | -149.6 | -105.7 | 0 | 0 | 0 | 112.1 | E689 S690 L727 Y728 K733 Q734 L735 A762 | E689-Y731 HydrophobicContact CB-CD2 3.68Å; E689-Y731 HydrophobicContact CB-CE2 4.1Å; S690-Y731 PolarHBondContact OG-OH 3.29Å; S690-Y731 VanDerWaalsContact OG-OH 3.09Å; L727-Y731 PolarHBondContact O-N 3.24Å; Y728-Y731 PolarHBondContact O-N 2.8Å; Y731-K733 PolarHBondContact O-N 3.47Å; Y731-Q734 PolarHBondContact O-N 2.95Å; Y731-L735 HydrophobicContact CD1-CD1 3.88Å; Y731-L735 HydrophobicContact CE1-CD1 3.84Å; Y731-L735 PolarHBondContact O-N 3.48Å; Y731-L735 VanDerWaalsContact O-N 3.09Å; Y731-A762 PolarHBondContact OH-O 3.35Å |
| 732 | L | 46.4 | Very low | 50.7 | Low | 66 Ų | 66 | 83.9 Ų | 83.9 | 35% | 0.346 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 176.2 | -77.9 | 167.1 | 0 | 0 | 0 | 112.4 | Y728 L735 G736 | Y728-L732 PolarHBondContact O-N 3.46Å; L732-L735 PolarHBondContact O-N 2.68Å; L732-G736 PolarHBondContact O-N 3.16Å |
| 733 | K | 54.3 | Low | 49.2 | Very low | 143 Ų | 143 | 80.4 Ų | 80.4 | 62% | 0.622 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.1 | -41 | 176.2 | -94.1 | -178.6 | 177.2 | 173.2 | 0 | 113.1 | Q729 R730 Y731 R737 | Q729-K733 PolarHBondContact O-N 2.87Å; R730-K733 PolarHBondContact O-N 3.36Å; Y731-K733 PolarHBondContact O-N 3.47Å; K733-R737 WeakPolarHBondContact O-CG 3.41Å; K733-R737 PolarHBondContact O-N 3.27Å |
| 734 | Q | 50 | Low | 48.2 | Very low | 94 Ų | 94 | 80 Ų | 80 | 44% | 0.439 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.8 | -43.8 | 177.4 | -74.6 | -161.5 | 22.9 | 0 | 0 | 112 | E689 R730 Y731 R737 A738 | E689-Q734 PolarHBondContact OE1-NE2 3.26Å; E689-Q734 PolarHBondContact OE2-NE2 3.35Å; R730-Q734 PolarHBondContact O-N 2.92Å; Y731-Q734 PolarHBondContact O-N 2.95Å; Q734-R737 PolarHBondContact O-N 2.97Å; Q734-A738 PolarHBondContact O-N 3.48Å |
| 735 | L | 42.2 | Very low | 47.7 | Very low | 32 Ų | 32 | 86.4 Ų | 86.4 | 17% | 0.168 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 177.7 | -107.9 | 152.3 | 0 | 0 | 0 | 112.4 | Y731 L732 R737 A738 L739 L765 | Y731-L735 HydrophobicContact CD1-CD1 3.88Å; Y731-L735 HydrophobicContact CE1-CD1 3.84Å; Y731-L735 PolarHBondContact O-N 3.48Å; Y731-L735 VanDerWaalsContact O-N 3.09Å; L732-L735 PolarHBondContact O-N 2.68Å; L735-R737 VanDerWaalsContact C-N 3.3Å; L735-R737 PolarHBondContact O-N 3.26Å; L735-A738 PolarHBondContact O-N 2.86Å; L735-L739 HydrophobicContact CD2-CD1 3.59Å; L735-L739 HydrophobicContact CD2-CG 4.33Å; L735-L739 WeakPolarHBondContact O-CB 3.35Å; L735-L739 PolarHBondContact O-N 2.97Å; L735-L765 HydrophobicContact CD1-CB 4.44Å; L735-L765 HydrophobicContact CD1-CD1 3.89Å; L735-L765 HydrophobicContact CD2-CD2 4.2Å |
| 736 | G | 45.3 | Very low | 46.7 | Very low | 16 Ų | 16 | 88.2 Ų | 88.2 | 17% | 0.165 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -56.4 | -43.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L732 Q740 | L732-G736 PolarHBondContact O-N 3.16Å; G736-Q740 WeakPolarHBondContact O-CB 3.44Å; G736-Q740 WeakPolarHBondContact O-CG 3.25Å; G736-Q740 PolarHBondContact O-N 3.34Å |
| 737 | R | 46.7 | Very low | 45.4 | Very low | 187 Ų | 187 | 90 Ų | 90 | 71% | 0.706 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.5 | -43.1 | 176.1 | -70.4 | 178.1 | -175.5 | 179.9 | 0 | 113 | K733 Q734 L735 L739 | K733-R737 WeakPolarHBondContact O-CG 3.41Å; K733-R737 PolarHBondContact O-N 3.27Å; Q734-R737 PolarHBondContact O-N 2.97Å; L735-R737 VanDerWaalsContact C-N 3.3Å; L735-R737 PolarHBondContact O-N 3.26Å; R737-L739 VanDerWaalsContact C-N 3.34Å |
| 738 | A | 43.5 | Very low | 44.2 | Very low | 37 Ų | 37 | 93.5 Ų | 93.5 | 31% | 0.306 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q734 L735 S741 | Q734-A738 PolarHBondContact O-N 3.48Å; L735-A738 PolarHBondContact O-N 2.86Å; A738-S741 PolarHBondContact O-OG 3.23Å |
| 739 | L | 35.6 | Very low | 43.7 | Very low | 57 Ų | 57 | 93.9 Ų | 93.9 | 30% | 0.298 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -80.9 | -28.2 | -179 | -73.8 | 165.5 | 0 | 0 | 0 | 113.8 | L735 R737 S741 L742 C743 F748 | L735-L739 HydrophobicContact CD2-CD1 3.59Å; L735-L739 HydrophobicContact CD2-CG 4.33Å; L735-L739 WeakPolarHBondContact O-CB 3.35Å; L735-L739 PolarHBondContact O-N 2.97Å; R737-L739 VanDerWaalsContact C-N 3.34Å; L739-S741 PolarHBondContact O-N 3.27Å; L739-S741 VanDerWaalsContact O-N 3.17Å; L739-L742 HydrophobicContact CD2-CD1 4.08Å; L739-L742 WeakPolarHBondContact O-CA 3.4Å; L739-L742 PolarHBondContact O-N 3.29Å; L739-C743 PolarHBondContact O-N 3.24Å; L739-F748 HydrophobicContact CB-CE2 3.94Å; L739-F748 HydrophobicContact CD1-CE2 3.26Å; L739-F748 HydrophobicContact CD1-CZ 3.4Å; L739-F748 HydrophobicContact CG-CE2 4.2Å |
| 740 | Q | 42.6 | Very low | 42.7 | Very low | 110 Ų | 110 | 94.7 Ų | 94.7 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.1 | -25.5 | 169.7 | -88 | 179.2 | -11.5 | 0 | 0 | 112.7 | G736 L742 D746 | G736-Q740 WeakPolarHBondContact O-CB 3.44Å; G736-Q740 WeakPolarHBondContact O-CG 3.25Å; G736-Q740 PolarHBondContact O-N 3.34Å; Q740-L742 VanDerWaalsContact C-N 3.31Å; Q740-D746 PolarHBondContact NE2-OD1 3.06Å |
| 741 | S | 43.4 | Very low | 41.3 | Very low | 105 Ų | 105 | 89.9 Ų | 89.9 | 73% | 0.734 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -17.9 | 173 | 77.9 | 0 | 0 | 0 | 0 | 114.1 | A738 L739 | A738-S741 PolarHBondContact O-OG 3.23Å; L739-S741 PolarHBondContact O-N 3.27Å; L739-S741 VanDerWaalsContact O-N 3.17Å |
| 742 | L | 38.4 | Very low | 40.5 | Very low | 98 Ų | 98 | 93.8 Ų | 93.8 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -27.8 | -175.7 | -76.2 | 162.7 | 0 | 0 | 0 | 113.2 | L739 Q740 L772 | L739-L742 HydrophobicContact CD2-CD1 4.08Å; L739-L742 WeakPolarHBondContact O-CA 3.4Å; L739-L742 PolarHBondContact O-N 3.29Å; Q740-L742 VanDerWaalsContact C-N 3.31Å; L742-L772 HydrophobicContact CD1-CD1 4.42Å |
| 743 | C | 35.8 | Very low | 39.6 | Very low | 67 Ų | 67 | 93 Ų | 93 | 45% | 0.453 | 52% | 0.518 | S | S | . | . | trans | -141.3 | 125.3 | 173.5 | -95.9 | 0 | 0 | 0 | 0 | 109.3 | L739 E745 | L739-C743 PolarHBondContact O-N 3.24Å; C743-E745 PolarHBondContact O-N 3.38Å | ||
| 744 | P | 42.5 | Very low | 38.4 | Very low | 133 Ų | 133 | 91 Ų | 91 | 86% | 0.864 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -71.1 | -12.8 | 174 | 27.9 | -31.7 | 0 | 0 | 0 | 112.7 | ||
| 745 | E | 38.5 | Very low | 37.5 | Very low | 159 Ų | 159 | 95 Ų | 95 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -77.9 | 124.5 | 171.5 | -68.9 | -169.9 | 171.2 | 0 | 0 | 110.2 | C743 V747 | C743-E745 PolarHBondContact O-N 3.38Å; E745-V747 WeakPolarHBondContact O-CG2 3.3Å; E745-V747 PolarHBondContact O-N 3.3Å |
| 746 | D | 37.3 | Very low | 36.8 | Very low | 91 Ų | 91 | 97 Ų | 97 | 49% | 0.487 | 55% | 0.55 | S | S | . | . | trans | -73 | 68.1 | -173.2 | -139.7 | 5.1 | 0 | 0 | 0 | 110.5 | Q740 F748 A749 | Q740-D746 PolarHBondContact NE2-OD1 3.06Å; D746-F748 PolarHBondContact O-N 3.38Å; D746-A749 HydrophobicContact CB-CB 4.23Å; D746-A749 PolarHBondContact O-N 3.31Å; D746-A749 VanDerWaalsContact O-N 3.16Å | ||
| 747 | V | 36.5 | Very low | 36.1 | Very low | 93 Ų | 93 | 98.5 Ų | 98.5 | 56% | 0.564 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -25.3 | -174.1 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | E745 | E745-V747 WeakPolarHBondContact O-CG2 3.3Å; E745-V747 PolarHBondContact O-N 3.3Å |
| 748 | F | 33.9 | Very low | 35.4 | Very low | 81 Ų | 81 | 92.5 Ų | 92.5 | 36% | 0.355 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -15.6 | -175.6 | -65 | -77.4 | 0 | 0 | 0 | 115.5 | L739 D746 N750 C751 | L739-F748 HydrophobicContact CB-CE2 3.94Å; L739-F748 HydrophobicContact CD1-CE2 3.26Å; L739-F748 HydrophobicContact CD1-CZ 3.4Å; L739-F748 HydrophobicContact CG-CE2 4.2Å; D746-F748 PolarHBondContact O-N 3.38Å; F748-N750 PolarHBondContact O-N 3.01Å; F748-C751 HydrophobicContact CD1-CB 4.24Å; F748-C751 PolarHBondContact O-N 3.32Å; F748-C751 VanDerWaalsContact O-N 3.17Å |
| 749 | A | 37.9 | Very low | 34.8 | Very low | 73 Ų | 73 | 94.3 Ų | 94.3 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -30.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D746 | D746-A749 HydrophobicContact CB-CB 4.23Å; D746-A749 PolarHBondContact O-N 3.31Å; D746-A749 VanDerWaalsContact O-N 3.16Å |
| 750 | N | 36.8 | Very low | 34.7 | Very low | 153 Ų | 153 | 94 Ų | 94 | 82% | 0.818 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 2.9 | 179.2 | -68.9 | -22.3 | 0 | 0 | 0 | 114.1 | F748 S752 | F748-N750 PolarHBondContact O-N 3.01Å; N750-S752 PolarHBondContact O-N 3.32Å |
| 751 | C | 30.7 | Very low | 34.2 | Very low | 60 Ų | 60 | 90.2 Ų | 90.2 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | trans | -92.5 | 98.8 | -179.7 | -153.9 | 0 | 0 | 0 | 0 | 109.4 | F748 C753 | F748-C751 HydrophobicContact CD1-CB 4.24Å; F748-C751 PolarHBondContact O-N 3.32Å; F748-C751 VanDerWaalsContact O-N 3.17Å; C751-C753 PolarHBondContact O-N 2.99Å; C751-C753 PolarHBondContact SG-SG 3.19Å | ||
| 752 | S | 31.4 | Very low | 33.6 | Very low | 115 Ų | 115 | 85.6 Ų | 85.6 | 80% | 0.804 | 49% | 0.494 | S | S | * | . | trans | -66.7 | 55.1 | 167.3 | 51 | 0 | 0 | 0 | 0 | 111.4 | N750 S754 | N750-S752 PolarHBondContact O-N 3.32Å; S752-S754 PolarHBondContact O-N 3.39Å; S752-S754 VanDerWaalsContact O-N 3.17Å | ||
| 753 | C | 29 | Very low | 33.3 | Very low | 48 Ų | 48 | 84.8 Ų | 84.8 | 32% | 0.324 | 49% | 0.489 | S | S | . | . | trans | -84.5 | 26.9 | -178.7 | -106.8 | 0 | 0 | 0 | 0 | 112.3 | C751 Q755 | C751-C753 PolarHBondContact O-N 2.99Å; C751-C753 PolarHBondContact SG-SG 3.19Å; C753-Q755 VanDerWaalsContact C-N 3.28Å; C753-Q755 PolarHBondContact O-N 3.06Å | ||
| 754 | S | 29.1 | Very low | 33.1 | Very low | 101 Ų | 101 | 85 Ų | 85 | 71% | 0.706 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -76.1 | -1.7 | -168 | 54.5 | 0 | 0 | 0 | 0 | 115.3 | S752 | S752-S754 PolarHBondContact O-N 3.39Å; S752-S754 VanDerWaalsContact O-N 3.17Å |
| 755 | Q | 29.4 | Very low | 32.7 | Very low | 180 Ų | 180 | 81 Ų | 81 | 84% | 0.841 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -138.7 | -8.6 | -175.6 | -72.7 | -171.7 | -19.3 | 0 | 0 | 119.5 | C753 | C753-Q755 VanDerWaalsContact C-N 3.28Å; C753-Q755 PolarHBondContact O-N 3.06Å |
| 756 | E | 29.2 | Very low | 32.3 | Very low | 74 Ų | 74 | 75 Ų | 75 | 35% | 0.346 | 43% | 0.427 | S | S | . | . | trans | -147.4 | 53.3 | -175.1 | -68.4 | -166.4 | -160.8 | 0 | 0 | 115.9 | P497 G498 D758 | P497-E756 WeakPolarHBondContact CA-OE2 3.26Å; P497-E756 HydrophobicContact CB-CB 3.56Å; P497-E756 HydrophobicContact CB-CG 4.28Å; P497-E756 WeakPolarHBondContact CB-OE2 3.5Å; P497-E756 VanDerWaalsContact CD-CD 3.45Å; P497-E756 WeakPolarHBondContact CD-OE2 3.37Å; P497-E756 HydrophobicContact CG-CB 3.79Å; P497-E756 VanDerWaalsContact CG-CD 3.48Å; P497-E756 HydrophobicContact CG-CG 4.06Å; P497-E756 WeakPolarHBondContact CG-OE2 3.24Å; P497-E756 VanDerWaalsContact N-OE2 3.08Å; G498-E756 PolarHBondContact N-OE2 3.07Å; E756-D758 PolarHBondContact O-N 3.32Å | ||
| 757 | L | 30.4 | Very low | 32.1 | Very low | 46 Ų | 46 | 75.6 Ų | 75.6 | 24% | 0.241 | 43% | 0.429 | C | S | . | . | trans | -88.6 | 94.5 | 162.9 | -120 | 88.7 | 0 | 0 | 0 | 110.5 | Y728 A761 L765 | Y728-L757 HydrophobicContact CE1-CB 4.13Å; Y728-L757 VanDerWaalsContact CE1-O 3.28Å; Y728-L757 WeakPolarHBondContact CE1-O 3.43Å; Y728-L757 PolarHBondContact OH-O 3.49Å; L757-A761 HydrophobicContact CD2-CB 3.92Å; L757-A761 HydrophobicContact CG-CB 3.91Å; L757-L765 HydrophobicContact CD2-CD1 4.01Å | ||
| 758 | D | 32.6 | Very low | 32 | Very low | 62 Ų | 62 | 75.7 Ų | 75.7 | 33% | 0.332 | 43% | 0.426 | S | S | . | . | trans | -57.8 | 148.5 | 174.7 | -173.9 | -5 | 0 | 0 | 0 | 111.8 | S501 E756 N760 A761 A762 | S501-D758 WeakPolarHBondContact CB-OD2 3.46Å; S501-D758 PolarHBondContact OG-OD2 3.16Å; E756-D758 PolarHBondContact O-N 3.32Å; D758-N760 PolarHBondContact O-N 3.35Å; D758-A761 WeakPolarHBondContact O-CA 3.49Å; D758-A761 WeakPolarHBondContact O-CB 3.14Å; D758-A761 PolarHBondContact O-N 3.05Å; D758-A762 PolarHBondContact O-N 2.76Å | ||
| 759 | L | 30.5 | Very low | 31.9 | Very low | 74 Ų | 74 | 75.7 Ų | 75.7 | 39% | 0.387 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -44 | -32.9 | 174.7 | -175.9 | 70.7 | 0 | 0 | 0 | 112.6 | A694 A761 A762 I763 | A694-L759 HydrophobicContact CB-CD1 4.28Å; L759-A761 PolarHBondContact O-N 3.27Å; L759-A762 WeakPolarHBondContact O-CB 3.47Å; L759-A762 PolarHBondContact O-N 3.12Å; L759-I763 HydrophobicContact CG-CD1 4.19Å; L759-I763 WeakPolarHBondContact O-CG1 3.49Å; L759-I763 PolarHBondContact O-N 2.58Å |
| 760 | N | 32 | Very low | 31.6 | Very low | 52 Ų | 52 | 76.9 Ų | 76.9 | 28% | 0.278 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | 174.5 | -99.1 | -49.9 | 0 | 0 | 0 | 114 | S501 D758 R764 | S501-N760 WeakPolarHBondContact CB-ND2 3.17Å; D758-N760 PolarHBondContact O-N 3.35Å; N760-R764 WeakPolarHBondContact O-CG 3.3Å; N760-R764 PolarHBondContact O-N 3.45Å; N760-R764 VanDerWaalsContact O-N 3.09Å |
| 761 | A | 32.9 | Very low | 31.4 | Very low | 30 Ų | 30 | 71.8 Ų | 71.8 | 25% | 0.248 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.2 | -39.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L757 D758 L759 I763 R764 L765 | L757-A761 HydrophobicContact CD2-CB 3.92Å; L757-A761 HydrophobicContact CG-CB 3.91Å; D758-A761 WeakPolarHBondContact O-CA 3.49Å; D758-A761 WeakPolarHBondContact O-CB 3.14Å; D758-A761 PolarHBondContact O-N 3.05Å; L759-A761 PolarHBondContact O-N 3.27Å; A761-I763 PolarHBondContact O-N 3.49Å; A761-R764 PolarHBondContact O-N 3.1Å; A761-L765 VanDerWaalsContact O-CB 3.28Å; A761-L765 WeakPolarHBondContact O-CB 3.4Å; A761-L765 WeakPolarHBondContact O-CD1 2.96Å; A761-L765 WeakPolarHBondContact O-CG 3.21Å; A761-L765 PolarHBondContact O-N 3.49Å |
| 762 | A | 31.5 | Very low | 31.5 | Very low | 7 Ų | 7 | 73.1 Ų | 73.1 | 6% | 0.058 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y731 D758 L759 L765 S766 | Y731-A762 PolarHBondContact OH-O 3.35Å; D758-A762 PolarHBondContact O-N 2.76Å; L759-A762 WeakPolarHBondContact O-CB 3.47Å; L759-A762 PolarHBondContact O-N 3.12Å; A762-L765 PolarHBondContact O-N 2.8Å; A762-S766 WeakPolarHBondContact O-CB 3.42Å; A762-S766 PolarHBondContact O-N 3.39Å |
| 763 | I | 30.9 | Very low | 31.6 | Very low | 82 Ų | 82 | 71.7 Ų | 71.7 | 42% | 0.421 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 175.7 | -66.4 | 167.7 | 0 | 0 | 0 | 110.8 | L759 A761 L765 S766 I767 | L759-I763 HydrophobicContact CG-CD1 4.19Å; L759-I763 WeakPolarHBondContact O-CG1 3.49Å; L759-I763 PolarHBondContact O-N 2.58Å; A761-I763 PolarHBondContact O-N 3.49Å; I763-L765 VanDerWaalsContact C-N 3.32Å; I763-L765 PolarHBondContact O-N 3.43Å; I763-S766 PolarHBondContact O-N 3.49Å; I763-S766 PolarHBondContact O-OG 2.75Å; I763-I767 HydrophobicContact CG2-CD1 4.4Å; I763-I767 WeakPolarHBondContact O-CG1 3.48Å; I763-I767 PolarHBondContact O-N 3.3Å; I763-I767 VanDerWaalsContact O-N 3.11Å |
| 764 | R | 31.5 | Very low | 31.7 | Very low | 72 Ų | 72 | 74.2 Ų | 74.2 | 27% | 0.272 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 177.2 | -73.5 | -178.5 | -167.7 | 133.4 | 18 | 113.1 | L504 N760 A761 I767 L768 | L504-R764 VanDerWaalsContact CB-CZ 3.49Å; N760-R764 WeakPolarHBondContact O-CG 3.3Å; N760-R764 PolarHBondContact O-N 3.45Å; N760-R764 VanDerWaalsContact O-N 3.09Å; A761-R764 PolarHBondContact O-N 3.1Å; R764-I767 WeakPolarHBondContact O-CB 3.44Å; R764-I767 PolarHBondContact O-N 2.98Å; R764-L768 PolarHBondContact O-N 3.46Å; R764-L768 VanDerWaalsContact O-N 3.15Å |
| 765 | L | 34 | Very low | 31.7 | Very low | 49 Ų | 49 | 72.8 Ų | 72.8 | 26% | 0.257 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -74.7 | -30.8 | 178.1 | -69.9 | 165 | 0 | 0 | 0 | 111.4 | L735 L757 A761 A762 I763 I767 L768 N769 | L735-L765 HydrophobicContact CD1-CB 4.44Å; L735-L765 HydrophobicContact CD1-CD1 3.89Å; L735-L765 HydrophobicContact CD2-CD2 4.2Å; L757-L765 HydrophobicContact CD2-CD1 4.01Å; A761-L765 VanDerWaalsContact O-CB 3.28Å; A761-L765 WeakPolarHBondContact O-CB 3.4Å; A761-L765 WeakPolarHBondContact O-CD1 2.96Å; A761-L765 WeakPolarHBondContact O-CG 3.21Å; A761-L765 PolarHBondContact O-N 3.49Å; A762-L765 PolarHBondContact O-N 2.8Å; I763-L765 VanDerWaalsContact C-N 3.32Å; I763-L765 PolarHBondContact O-N 3.43Å; L765-I767 VanDerWaalsContact C-N 3.31Å; L765-I767 PolarHBondContact O-N 2.6Å; L765-L768 WeakPolarHBondContact O-CB 3.31Å; L765-L768 PolarHBondContact O-N 3.11Å; L765-N769 PolarHBondContact O-N 2.88Å |
| 766 | S | 32 | Very low | 32.5 | Very low | 33 Ų | 33 | 67 Ų | 67 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 169.9 | 79.1 | 0 | 0 | 0 | 0 | 111.9 | A762 I763 N769 V770 | A762-S766 WeakPolarHBondContact O-CB 3.42Å; A762-S766 PolarHBondContact O-N 3.39Å; I763-S766 PolarHBondContact O-N 3.49Å; I763-S766 PolarHBondContact O-OG 2.75Å; S766-N769 PolarHBondContact O-N 3.23Å; S766-V770 WeakPolarHBondContact O-CG2 3.32Å; S766-V770 PolarHBondContact O-N 3.08Å |
| 767 | I | 32.4 | Very low | 32.9 | Very low | 102 Ų | 102 | 68.2 Ų | 68.2 | 52% | 0.523 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 173.9 | -65 | 166.2 | 0 | 0 | 0 | 111.1 | I763 R764 L765 S771 | I763-I767 HydrophobicContact CG2-CD1 4.4Å; I763-I767 WeakPolarHBondContact O-CG1 3.48Å; I763-I767 PolarHBondContact O-N 3.3Å; I763-I767 VanDerWaalsContact O-N 3.11Å; R764-I767 WeakPolarHBondContact O-CB 3.44Å; R764-I767 PolarHBondContact O-N 2.98Å; L765-I767 VanDerWaalsContact C-N 3.31Å; L765-I767 PolarHBondContact O-N 2.6Å; I767-S771 WeakPolarHBondContact O-CB 3.48Å; I767-S771 PolarHBondContact O-N 2.87Å; I767-S771 VanDerWaalsContact O-N 3.16Å; I767-S771 PolarHBondContact O-OG 2.87Å |
| 768 | L | 33.2 | Very low | 33.6 | Very low | 95 Ų | 95 | 69.8 Ų | 69.8 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.7 | -143.6 | 97.4 | 0 | 0 | 0 | 111.3 | R764 L765 S771 L772 | R764-L768 PolarHBondContact O-N 3.46Å; R764-L768 VanDerWaalsContact O-N 3.15Å; L765-L768 WeakPolarHBondContact O-CB 3.31Å; L765-L768 PolarHBondContact O-N 3.11Å; L768-S771 PolarHBondContact O-N 3.06Å; L768-L772 HydrophobicContact CD2-CD1 4.38Å; L768-L772 PolarHBondContact O-N 2.72Å |
| 769 | N | 32.3 | Very low | 33.9 | Very low | 81 Ų | 81 | 73 Ų | 73 | 43% | 0.433 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | -179.3 | -131.4 | 9 | 0 | 0 | 0 | 112.1 | L765 S766 S771 L772 A773 | L765-N769 PolarHBondContact O-N 2.88Å; S766-N769 PolarHBondContact O-N 3.23Å; N769-S771 VanDerWaalsContact C-N 3.29Å; N769-S771 PolarHBondContact O-N 2.78Å; N769-L772 PolarHBondContact O-N 3.49Å; N769-A773 PolarHBondContact O-N 3.18Å |
| 770 | V | 33 | Very low | 34.1 | Very low | 98 Ų | 98 | 73 Ų | 73 | 59% | 0.594 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.6 | -34.4 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | S766 T774 | S766-V770 WeakPolarHBondContact O-CG2 3.32Å; S766-V770 PolarHBondContact O-N 3.08Å; V770-T774 PolarHBondContact O-OG1 2.86Å |
| 771 | S | 31.5 | Very low | 34.2 | Very low | 47 Ų | 47 | 77.5 Ų | 77.5 | 33% | 0.329 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -73.8 | -36.6 | 179.6 | -56.5 | 0 | 0 | 0 | 0 | 112.6 | I767 L768 N769 A773 | I767-S771 WeakPolarHBondContact O-CB 3.48Å; I767-S771 PolarHBondContact O-N 2.87Å; I767-S771 VanDerWaalsContact O-N 3.16Å; I767-S771 PolarHBondContact O-OG 2.87Å; L768-S771 PolarHBondContact O-N 3.06Å; N769-S771 VanDerWaalsContact C-N 3.29Å; N769-S771 PolarHBondContact O-N 2.78Å; S771-A773 VanDerWaalsContact C-N 3.32Å |
| 772 | L | 33.7 | Very low | 34.4 | Very low | 87 Ų | 87 | 82 Ų | 82 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.8 | -30.3 | 175.7 | -77.9 | 165 | 0 | 0 | 0 | 112.7 | L742 L768 N769 | L742-L772 HydrophobicContact CD1-CD1 4.42Å; L768-L772 HydrophobicContact CD2-CD1 4.38Å; L768-L772 PolarHBondContact O-N 2.72Å; N769-L772 PolarHBondContact O-N 3.49Å |
| 773 | A | 32.3 | Very low | 34.4 | Very low | 85 Ų | 85 | 88.5 Ų | 88.5 | 70% | 0.702 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -77.4 | -17.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N769 S771 | N769-A773 PolarHBondContact O-N 3.18Å; S771-A773 VanDerWaalsContact C-N 3.32Å |
| 774 | T | 31.2 | Very low | 34.3 | Very low | 102 Ų | 102 | 90.6 Ų | 90.6 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -118.3 | -15.6 | -166.3 | 51.9 | 0 | 0 | 0 | 0 | 115 | V770 | V770-T774 PolarHBondContact O-OG1 2.86Å |
| 775 | E | 30.3 | Very low | 34.4 | Very low | 71 Ų | 71 | 97.9 Ų | 97.9 | 33% | 0.332 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -139.4 | 146.9 | -172 | -61.1 | -165.6 | 168.6 | 0 | 0 | 113.4 | R783 | E775-R783 VanDerWaalsContact CD-NH1 3.25Å; E775-R783 IonicContact OE1-CZ 2.64Å; E775-R783 IonicContact OE1-NH1 3.05Å; E775-R783 PolarHBondContact OE1-NH1 3.36Å; E775-R783 IonicContact OE2-NH1 3.61Å; E775-R783 PolarHBondContact OE2-NH1 3.44Å |
| 776 | S | 44.9 | Very low | 34.2 | Very low | 58 Ų | 58 | 103.2 Ų | 103.2 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | trans | -68.7 | 142.9 | 171.6 | 69.1 | 0 | 0 | 0 | 0 | 110.9 | S778 K779 L780 | S776-S778 PolarHBondContact O-N 3.04Å; S776-S778 PolarHBondContact OG-OG 2.7Å; S776-K779 PolarHBondContact O-N 3.19Å; S776-L780 PolarHBondContact O-N 3.16Å | ||
| 777 | V | 37.9 | Very low | 34 | Very low | 99 Ų | 99 | 106 Ų | 106 | 60% | 0.6 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -51.2 | -33.5 | 178.3 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | L780 K781 | V777-L780 PolarHBondContact O-N 2.92Å; V777-K781 PolarHBondContact O-N 3.2Å; V777-K781 VanDerWaalsContact O-N 3.11Å |
| 778 | S | 44.6 | Very low | 33.6 | Very low | 80 Ų | 80 | 104.9 Ų | 104.9 | 56% | 0.559 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.6 | -41.8 | 176.2 | 45.1 | 0 | 0 | 0 | 0 | 113.4 | S776 L780 K781 Q782 | S776-S778 PolarHBondContact O-N 3.04Å; S776-S778 PolarHBondContact OG-OG 2.7Å; S778-L780 VanDerWaalsContact C-N 3.34Å; S778-K781 PolarHBondContact O-N 2.94Å; S778-Q782 WeakPolarHBondContact O-CB 3.43Å; S778-Q782 PolarHBondContact O-N 3.14Å |
| 779 | K | 38.7 | Very low | 33.5 | Very low | 128 Ų | 128 | 105.2 Ų | 105.2 | 56% | 0.557 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.1 | -36.3 | 174.9 | -85.7 | 178.8 | 175.4 | 174.3 | 0 | 111.5 | S776 Q782 R783 | S776-K779 PolarHBondContact O-N 3.19Å; K779-Q782 PolarHBondContact O-N 3.01Å; K779-R783 WeakPolarHBondContact O-CB 3.47Å; K779-R783 PolarHBondContact O-N 2.93Å |
| 780 | L | 34.6 | Very low | 33.2 | Very low | 75 Ų | 75 | 106.8 Ų | 106.8 | 39% | 0.393 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.2 | -48.4 | 176.1 | -147.6 | 107 | 0 | 0 | 0 | 111.1 | S776 V777 S778 Q782 R783 M784 | S776-L780 PolarHBondContact O-N 3.16Å; V777-L780 PolarHBondContact O-N 2.92Å; S778-L780 VanDerWaalsContact C-N 3.34Å; L780-Q782 PolarHBondContact O-N 3.06Å; L780-R783 PolarHBondContact O-N 3.49Å; L780-M784 WeakPolarHBondContact O-CG 3.33Å; L780-M784 PolarHBondContact O-N 3.25Å |
| 781 | K | 35.6 | Very low | 32.7 | Very low | 146 Ų | 146 | 103.8 Ų | 103.8 | 64% | 0.635 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.6 | -42.6 | 175.3 | -81.6 | -176.5 | 175.9 | 177.6 | 0 | 112.6 | V777 S778 R783 M784 R785 | V777-K781 PolarHBondContact O-N 3.2Å; V777-K781 VanDerWaalsContact O-N 3.11Å; S778-K781 PolarHBondContact O-N 2.94Å; K781-R783 VanDerWaalsContact C-N 3.32Å; K781-R783 PolarHBondContact O-N 3.25Å; K781-M784 PolarHBondContact O-N 3.28Å; K781-R785 PolarHBondContact O-N 3.29Å |
| 782 | Q | 36.6 | Very low | 32.6 | Very low | 125 Ų | 125 | 107.9 Ų | 107.9 | 58% | 0.584 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68 | -33.3 | -179.4 | -156.4 | 179.6 | 19.6 | 0 | 0 | 111.9 | S778 K779 L780 K786 | S778-Q782 WeakPolarHBondContact O-CB 3.43Å; S778-Q782 PolarHBondContact O-N 3.14Å; K779-Q782 PolarHBondContact O-N 3.01Å; L780-Q782 PolarHBondContact O-N 3.06Å; Q782-K786 PolarHBondContact O-N 2.96Å |
| 783 | R | 31.8 | Very low | 32.3 | Very low | 144 Ų | 144 | 106 Ų | 106 | 54% | 0.543 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.7 | -40.2 | 170.9 | -95.3 | -179.2 | 172 | 160.2 | -2.2 | 112.7 | E775 K779 L780 K781 R785 K786 M787 | E775-R783 VanDerWaalsContact CD-NH1 3.25Å; E775-R783 IonicContact OE1-CZ 2.64Å; E775-R783 IonicContact OE1-NH1 3.05Å; E775-R783 PolarHBondContact OE1-NH1 3.36Å; E775-R783 IonicContact OE2-NH1 3.61Å; E775-R783 PolarHBondContact OE2-NH1 3.44Å; K779-R783 WeakPolarHBondContact O-CB 3.47Å; K779-R783 PolarHBondContact O-N 2.93Å; L780-R783 PolarHBondContact O-N 3.49Å; K781-R783 VanDerWaalsContact C-N 3.32Å; K781-R783 PolarHBondContact O-N 3.25Å; R783-R785 PolarHBondContact O-N 2.95Å; R783-K786 CarbonylContact O-C 3.45Å; R783-K786 WeakPolarHBondContact O-CA 3.32Å; R783-K786 PolarHBondContact O-N 3.15Å; R783-M787 WeakPolarHBondContact O-CB 3.25Å; R783-M787 VanDerWaalsContact O-CG 3.24Å; R783-M787 WeakPolarHBondContact O-CG 3.5Å; R783-M787 PolarHBondContact O-N 3.11Å |
| 784 | M | 29.3 | Very low | 32.3 | Very low | 125 Ų | 125 | 104.8 Ų | 104.8 | 62% | 0.616 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -55.1 | -35.8 | 174.1 | -69.9 | -163.2 | 87.9 | 0 | 0 | 112.4 | L780 K781 M787 | L780-M784 WeakPolarHBondContact O-CG 3.33Å; L780-M784 PolarHBondContact O-N 3.25Å; K781-M784 PolarHBondContact O-N 3.28Å; M784-M787 VanDerWaalsContact CA-CE 3.49Å; M784-M787 HydrophobicContact CB-CE 4.07Å; M784-M787 HydrophobicContact CG-CE 3.56Å |
| 785 | R | 32.4 | Very low | 32.4 | Very low | 225 Ų | 225 | 103.5 Ų | 103.5 | 85% | 0.849 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.4 | -34.2 | 174.2 | -69.3 | -178.1 | 178.5 | 177.8 | -0.9 | 113.6 | K781 R783 | K781-R785 PolarHBondContact O-N 3.29Å; R783-R785 PolarHBondContact O-N 2.95Å |
| 786 | K | 29.5 | Very low | 32.4 | Very low | 162 Ų | 162 | 102 Ų | 102 | 70% | 0.704 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -84.3 | -14.4 | 176.1 | -71.7 | -173.8 | 174.9 | -175.1 | 0 | 113.8 | Q782 R783 G788 | Q782-K786 PolarHBondContact O-N 2.96Å; R783-K786 CarbonylContact O-C 3.45Å; R783-K786 WeakPolarHBondContact O-CA 3.32Å; R783-K786 PolarHBondContact O-N 3.15Å; K786-G788 PolarHBondContact O-N 2.9Å |
| 787 | M | 27.6 | Very low | 31.8 | Very low | 90 Ų | 90 | 101.7 Ų | 101.7 | 44% | 0.443 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -74.8 | -4.6 | 179.1 | -83.7 | -165.1 | -62.1 | 0 | 0 | 114 | R783 M784 S789 | R783-M787 WeakPolarHBondContact O-CB 3.25Å; R783-M787 VanDerWaalsContact O-CG 3.24Å; R783-M787 WeakPolarHBondContact O-CG 3.5Å; R783-M787 PolarHBondContact O-N 3.11Å; M784-M787 VanDerWaalsContact CA-CE 3.49Å; M784-M787 HydrophobicContact CB-CE 4.07Å; M784-M787 HydrophobicContact CG-CE 3.56Å; M787-S789 PolarHBondContact O-N 3.36Å |
| 788 | G | 24.8 | Very low | 31.5 | Very low | 79 Ų | 79 | 104.3 Ų | 104.3 | 81% | 0.814 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -59.3 | -9.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K786 | K786-G788 PolarHBondContact O-N 2.9Š|
| 789 | S | 30.2 | Very low | 30.8 | Very low | 102 Ų | 102 | 102.9 Ų | 102.9 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -124.1 | -6 | -175.4 | 56.6 | 0 | 0 | 0 | 0 | 117.7 | M787 | M787-S789 PolarHBondContact O-N 3.36Š|
| 790 | C | 25.8 | Very low | 30.5 | Very low | 114 Ų | 114 | 99.2 Ų | 99.2 | 77% | 0.77 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -167.9 | 33.6 | 176.2 | -101.3 | 0 | 0 | 0 | 0 | 114.3 | N792 | C790-N792 PolarHBondContact O-N 3.05Š|
| 791 | G | 24.3 | Very low | 30.3 | Very low | 36 Ų | 36 | 100 Ų | 100 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -5.1 | -161.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||
| 792 | N | 28.9 | Very low | 30 | Very low | 133 Ų | 133 | 99.6 Ų | 99.6 | 71% | 0.711 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | 15.4 | -163.2 | -71.4 | -14.8 | 0 | 0 | 0 | 116.4 | C790 | C790-N792 PolarHBondContact O-N 3.05Š|
| 793 | A | 26.8 | Very low | 29.8 | Very low | 46 Ų | 46 | 98.2 Ų | 98.2 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | trans | -93.3 | 134.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y797 | A793-Y797 HydrophobicContact CB-CD1 4.44Å; A793-Y797 HydrophobicContact CB-CG 4.2Å | ||
| 794 | S | 32.6 | Very low | 29.5 | Very low | 61 Ų | 61 | 97.5 Ų | 97.5 | 43% | 0.427 | 51% | 0.513 | S | S | . | . | trans | -61.7 | 159.1 | 176.5 | 64.4 | 0 | 0 | 0 | 0 | 111.2 | Y796 Y797 R798 | S794-Y796 PolarHBondContact O-N 3.43Å; S794-Y796 VanDerWaalsContact O-N 3.11Å; S794-Y796 WeakPolarHBondContact OG-CB 3.3Å; S794-Y797 WeakPolarHBondContact O-CB 3.28Å; S794-Y797 PolarHBondContact O-N 3.01Å; S794-R798 PolarHBondContact O-N 2.81Å | ||
| 795 | V | 32.3 | Very low | 29.4 | Very low | 74 Ų | 74 | 96.9 Ų | 96.9 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55 | -29.9 | 175.7 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | Y797 R798 L799 | V795-Y797 PolarHBondContact O-N 3.32Å; V795-R798 WeakPolarHBondContact O-CB 3.12Å; V795-R798 PolarHBondContact O-N 3.46Å; V795-L799 PolarHBondContact O-N 3.5Å; V795-L799 VanDerWaalsContact O-N 3.11Å |
| 796 | Y | 32.1 | Very low | 29.1 | Very low | 39 Ų | 39 | 91.9 Ų | 91.9 | 15% | 0.153 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -54.2 | -48.6 | 171.9 | -176.7 | -90.1 | 0 | 0 | 0 | 112.8 | A617 A618 P619 S794 R798 L799 E800 | A617-Y796 VanDerWaalsContact CA-CZ 3.44Å; A617-Y796 WeakPolarHBondContact CA-OH 3.36Å; A617-Y796 HydrophobicContact CB-CD1 4.41Å; A617-Y796 HydrophobicContact CB-CE1 3.15Å; A617-Y796 VanDerWaalsContact CB-CZ 3.41Å; A617-Y796 WeakPolarHBondContact CB-OH 3.4Å; A617-Y796 WeakPolarHBondContact O-CD1 3.33Å; A617-Y796 WeakPolarHBondContact O-CE1 3.49Å; A618-Y796 VanDerWaalsContact CA-CE1 3.49Å; A618-Y796 VanDerWaalsContact CA-CE2 3.5Å; A618-Y796 HydrophobicContact CB-CD1 4.02Å; A618-Y796 HydrophobicContact CB-CE1 4.27Å; A618-Y796 HydrophobicContact CB-CG 4.17Å; A618-Y796 VanDerWaalsContact N-CE1 3.3Å; A618-Y796 PolarHBondContact N-OH 2.93Å; P619-Y796 HydrophobicContact CG-CE2 4.26Å; S794-Y796 PolarHBondContact O-N 3.43Å; S794-Y796 VanDerWaalsContact O-N 3.11Å; S794-Y796 WeakPolarHBondContact OG-CB 3.3Å; Y796-R798 PolarHBondContact O-N 3.31Å; Y796-L799 PolarHBondContact O-N 3.35Å; Y796-E800 PolarHBondContact O-N 3.31Å |
| 797 | Y | 31.7 | Very low | 28.9 | Very low | 52 Ų | 52 | 87.9 Ų | 87.9 | 20% | 0.204 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -66.3 | -26.8 | 176.9 | -134.8 | -87.8 | 0 | 0 | 0 | 112.6 | Y515 H516 V616 A793 S794 V795 M801 | Y515-Y797 AromaticContact CE1-CE1 3.95Å; Y515-Y797 HydrophobicContact CE1-CE1 3.95Å; H516-Y797 PolarHBondContact CE1-OH 3.36Å; V616-Y797 HydrophobicContact CG1-CE2 4.25Å; A793-Y797 HydrophobicContact CB-CD1 4.44Å; A793-Y797 HydrophobicContact CB-CG 4.2Å; S794-Y797 WeakPolarHBondContact O-CB 3.28Å; S794-Y797 PolarHBondContact O-N 3.01Å; V795-Y797 PolarHBondContact O-N 3.32Å; Y797-M801 HydrophobicContact CD1-CG 4.09Å; Y797-M801 HydrophobicContact CE1-CE 3.96Å; Y797-M801 HydrophobicContact CE1-CG 4.34Å; Y797-M801 WeakPolarHBondContact O-CB 3.47Å; Y797-M801 WeakPolarHBondContact O-CG 2.98Å; Y797-M801 PolarHBondContact O-N 2.99Å |
| 798 | R | 30.4 | Very low | 28.7 | Very low | 154 Ų | 154 | 88 Ų | 88 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -74 | -31.8 | 177 | -58.8 | -174.8 | -142.3 | 167.5 | 5.8 | 112.7 | S794 V795 Y796 K802 | S794-R798 PolarHBondContact O-N 2.81Å; V795-R798 WeakPolarHBondContact O-CB 3.12Å; V795-R798 PolarHBondContact O-N 3.46Å; Y796-R798 PolarHBondContact O-N 3.31Å; R798-K802 WeakPolarHBondContact O-CB 3.21Å; R798-K802 WeakPolarHBondContact O-CG 3.46Å; R798-K802 PolarHBondContact O-N 3.36Å; R798-K802 VanDerWaalsContact O-N 3.09Å |
| 799 | L | 31.9 | Very low | 28.6 | Very low | 50 Ų | 50 | 87.9 Ų | 87.9 | 26% | 0.262 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.3 | -45.7 | 175.3 | -82.4 | 163.5 | 0 | 0 | 0 | 110.4 | V795 Y796 M801 K802 M803 | V795-L799 PolarHBondContact O-N 3.5Å; V795-L799 VanDerWaalsContact O-N 3.11Å; Y796-L799 PolarHBondContact O-N 3.35Å; L799-M801 PolarHBondContact O-N 2.83Å; L799-K802 PolarHBondContact O-N 3.23Å; L799-M803 WeakPolarHBondContact O-CG 3.38Å; L799-M803 PolarHBondContact O-N 3.37Å |
| 800 | E | 31.7 | Very low | 28.4 | Very low | 51 Ų | 51 | 87 Ų | 87 | 24% | 0.238 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 177.9 | -154.7 | 177.1 | -154.9 | 0 | 0 | 111.7 | A617 Y796 K802 M803 F804 | A617-E800 WeakPolarHBondContact CB-OE1 3.21Å; A617-E800 WeakPolarHBondContact CB-OE2 3.29Å; Y796-E800 PolarHBondContact O-N 3.31Å; E800-K802 PolarHBondContact O-N 2.63Å; E800-M803 PolarHBondContact O-N 3.01Å; E800-F804 HydrophobicContact CG-CD2 4.25Å; E800-F804 HydrophobicContact CG-CE2 4.31Å; E800-F804 WeakPolarHBondContact O-CD2 2.9Å; E800-F804 PolarHBondContact O-N 3.38Å |
| 801 | M | 31.1 | Very low | 28.4 | Very low | 91 Ų | 91 | 85.7 Ų | 85.7 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.8 | -31.7 | 175.8 | -79.3 | -70.5 | -169.3 | 0 | 0 | 113.7 | Y797 L799 N805 | Y797-M801 HydrophobicContact CD1-CG 4.09Å; Y797-M801 HydrophobicContact CE1-CE 3.96Å; Y797-M801 HydrophobicContact CE1-CG 4.34Å; Y797-M801 WeakPolarHBondContact O-CB 3.47Å; Y797-M801 WeakPolarHBondContact O-CG 2.98Å; Y797-M801 PolarHBondContact O-N 2.99Å; L799-M801 PolarHBondContact O-N 2.83Å; M801-N805 WeakPolarHBondContact O-CB 3.3Å; M801-N805 PolarHBondContact O-N 2.74Å |
| 802 | K | 29.3 | Very low | 28.4 | Very low | 139 Ų | 139 | 87.8 Ų | 87.8 | 60% | 0.604 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -73 | -33.6 | 172.7 | -84 | -173 | 175.1 | -177.5 | 0 | 112.3 | R798 L799 E800 F806 | R798-K802 WeakPolarHBondContact O-CB 3.21Å; R798-K802 WeakPolarHBondContact O-CG 3.46Å; R798-K802 PolarHBondContact O-N 3.36Å; R798-K802 VanDerWaalsContact O-N 3.09Å; L799-K802 PolarHBondContact O-N 3.23Å; E800-K802 PolarHBondContact O-N 2.63Å; K802-F806 PolarHBondContact O-N 3.22Å |
| 803 | M | 31.5 | Very low | 28.3 | Very low | 96 Ų | 96 | 89.7 Ų | 89.7 | 47% | 0.473 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 171.8 | -73 | 179.6 | 67.8 | 0 | 0 | 110.9 | L799 E800 F806 V807 | L799-M803 WeakPolarHBondContact O-CG 3.38Å; L799-M803 PolarHBondContact O-N 3.37Å; E800-M803 PolarHBondContact O-N 3.01Å; M803-F806 PolarHBondContact O-N 3.48Å; M803-V807 PolarHBondContact O-N 2.79Å |
| 804 | F | 26.5 | Very low | 28.2 | Very low | 128 Ų | 128 | 92 Ų | 92 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 174.7 | -94.3 | -77.6 | 0 | 0 | 0 | 113.2 | E800 F806 V807 V808 | E800-F804 HydrophobicContact CG-CD2 4.25Å; E800-F804 HydrophobicContact CG-CE2 4.31Å; E800-F804 WeakPolarHBondContact O-CD2 2.9Å; E800-F804 PolarHBondContact O-N 3.38Å; F804-F806 PolarHBondContact O-N 3.23Å; F804-V807 PolarHBondContact O-N 2.76Å; F804-V808 PolarHBondContact O-N 3.27Å; F804-V808 VanDerWaalsContact O-N 3.08Å |
| 805 | N | 26.3 | Very low | 27.7 | Very low | 112 Ų | 112 | 93.5 Ų | 93.5 | 60% | 0.599 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -27.9 | 177.6 | -107.6 | 4.2 | 0 | 0 | 0 | 113.1 | M801 T809 | M801-N805 WeakPolarHBondContact O-CB 3.3Å; M801-N805 PolarHBondContact O-N 2.74Å; N805-T809 WeakPolarHBondContact O-CB 3.39Å; N805-T809 WeakPolarHBondContact O-CG2 3.45Å; N805-T809 PolarHBondContact O-N 2.86Å; N805-T809 PolarHBondContact O-OG1 3.06Å |
| 806 | F | 25.6 | Very low | 27.1 | Very low | 120 Ų | 120 | 97.5 Ų | 97.5 | 53% | 0.526 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -75 | -32.6 | 176.1 | -122.2 | -85.7 | 0 | 0 | 0 | 112.7 | K802 M803 F804 S810 M833 | K802-F806 PolarHBondContact O-N 3.22Å; M803-F806 PolarHBondContact O-N 3.48Å; F804-F806 PolarHBondContact O-N 3.23Å; F806-S810 WeakPolarHBondContact O-CB 3.36Å; F806-S810 PolarHBondContact O-N 3.1Å; F806-S810 PolarHBondContact O-OG 3.08Å; F806-M833 HydrophobicContact CZ-CE 4.39Å |
| 807 | V | 24.9 | Very low | 26.6 | Very low | 79 Ų | 79 | 104 Ų | 104 | 48% | 0.479 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.5 | -40 | 174 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | M803 F804 S810 A811 | M803-V807 PolarHBondContact O-N 2.79Å; F804-V807 PolarHBondContact O-N 2.76Å; V807-S810 PolarHBondContact O-OG 2.82Å; V807-A811 PolarHBondContact O-N 2.83Å |
| 808 | V | 23.5 | Very low | 25.9 | Very low | 92 Ų | 92 | 106.7 Ų | 106.7 | 56% | 0.558 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -74.9 | -38 | -179.8 | -179.8 | 0 | 0 | 0 | 0 | 112.7 | F804 A811 | F804-V808 PolarHBondContact O-N 3.27Å; F804-V808 VanDerWaalsContact O-N 3.08Å; V808-A811 PolarHBondContact O-N 3.49Å |
| 809 | T | 24.3 | Very low | 25.4 | Very low | 77 Ų | 77 | 109.3 Ų | 109.3 | 47% | 0.472 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75.3 | -29.2 | -179.4 | 47 | 0 | 0 | 0 | 0 | 113.4 | N805 A811 | N805-T809 WeakPolarHBondContact O-CB 3.39Å; N805-T809 WeakPolarHBondContact O-CG2 3.45Å; N805-T809 PolarHBondContact O-N 2.86Å; N805-T809 PolarHBondContact O-OG1 3.06Å; T809-A811 VanDerWaalsContact C-N 3.35Å |
| 810 | S | 25.7 | Very low | 24.9 | Very low | 82 Ų | 82 | 111.7 Ų | 111.7 | 57% | 0.573 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -77.2 | -18.7 | 175.1 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | F806 V807 | F806-S810 WeakPolarHBondContact O-CB 3.36Å; F806-S810 PolarHBondContact O-N 3.1Å; F806-S810 PolarHBondContact O-OG 3.08Å; V807-S810 PolarHBondContact O-OG 2.82Å |
| 811 | A | 24.7 | Very low | 24.4 | Very low | 87 Ų | 87 | 114.7 Ų | 114.7 | 72% | 0.719 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -82.9 | -19.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V807 V808 T809 | V807-A811 PolarHBondContact O-N 2.83Å; V808-A811 PolarHBondContact O-N 3.49Å; T809-A811 VanDerWaalsContact C-N 3.35Å |
| 812 | A | 24.8 | Very low | 24.1 | Very low | 80 Ų | 80 | 113 Ų | 113 | 66% | 0.661 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -94.6 | -15.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 813 | E | 25.8 | Very low | 24 | Very low | 173 Ų | 173 | 114.1 Ų | 114.1 | 81% | 0.808 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -115.6 | 7.5 | -162.8 | -71.6 | -169.1 | 170.8 | 0 | 0 | 117.5 | ||
| 814 | S | 25.4 | Very low | 24 | Very low | 96 Ų | 96 | 113 Ų | 113 | 67% | 0.671 | 64% | 0.644 | S | S | * | * | trans | -144.1 | 98.3 | 171.4 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | E816 | S814-E816 PolarHBondContact O-N 2.99Š| ||
| 815 | G | 22.7 | Very low | 24.5 | Very low | 91 Ų | 91 | 111.8 Ų | 111.8 | 94% | 0.938 | 64% | 0.64 | S | S | * | * | trans | -72.4 | 31.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 816 | E | 20.3 | Very low | 24.6 | Very low | 158 Ų | 158 | 108 Ų | 108 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | trans | -139 | 97.4 | 176 | -76.3 | -172.2 | 158.1 | 0 | 0 | 110.6 | S814 T818 | S814-E816 PolarHBondContact O-N 2.99Å; E816-T818 VanDerWaalsContact C-N 3.25Å; E816-T818 PolarHBondContact O-N 3.41Å | ||
| 817 | L | 20.2 | Very low | 24.8 | Very low | 175 Ų | 175 | 108.3 Ų | 108.3 | 92% | 0.916 | 64% | 0.635 | S | S | * | * | trans | -72.1 | 80.5 | 167.4 | -82.7 | 157.4 | 0 | 0 | 0 | 109 | ||||
| 818 | T | 17.7 | Very low | 25.2 | Very low | 110 Ų | 110 | 106.3 Ų | 106.3 | 68% | 0.675 | 63% | 0.63 | S | S | * | * | trans | -84.4 | 115.9 | 169.4 | 36.2 | 0 | 0 | 0 | 0 | 110 | E816 V820 | E816-T818 VanDerWaalsContact C-N 3.25Å; E816-T818 PolarHBondContact O-N 3.41Å; T818-V820 PolarHBondContact O-N 3.17Å | ||
| 819 | F | 20.4 | Very low | 25.7 | Very low | 208 Ų | 208 | 112.2 Ų | 112.2 | 91% | 0.912 | 64% | 0.642 | S | S | * | * | trans | -55.2 | 114.4 | 173.5 | -68.4 | -94.2 | 0 | 0 | 0 | 110.8 | ||||
| 820 | V | 20.3 | Very low | 26.3 | Very low | 100 Ų | 100 | 111 Ų | 111 | 61% | 0.606 | 63% | 0.629 | S | S | * | * | trans | -131.6 | 119.2 | 171.5 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | T818 | T818-V820 PolarHBondContact O-N 3.17Š| ||
| 821 | T | 22 | Very low | 27.1 | Very low | 115 Ų | 115 | 113.2 Ų | 113.2 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | trans | -36.9 | 151.4 | 169.2 | 42.7 | 0 | 0 | 0 | 0 | 115.5 | R823 | T821-R823 PolarHBondContact O-N 3.39Š| ||
| 822 | P | 25.3 | Very low | 28.3 | Very low | 54 Ų | 54 | 113.2 Ų | 113.2 | 35% | 0.351 | 63% | 0.634 | S | S | . | * | trans | -63.8 | 106.1 | -170.4 | 27.5 | -36.3 | 0 | 0 | 0 | 111.3 | T824 N966 | P822-T824 PolarHBondContact O-N 2.87Å; P822-N966 WeakPolarHBondContact CB-O 3.23Å | ||
| 823 | R | 25.8 | Very low | 29.6 | Very low | 164 Ų | 164 | 110.7 Ų | 110.7 | 62% | 0.619 | 61% | 0.609 | S | S | * | * | trans | -77.3 | 105.6 | 166.3 | -67.5 | -174.6 | -178.4 | -174 | 3.2 | 107.5 | T821 H825 G826 | T821-R823 PolarHBondContact O-N 3.39Å; R823-H825 PolarHBondContact O-N 3.29Å; R823-H825 VanDerWaalsContact O-N 3.09Å; R823-G826 PolarHBondContact O-N 3.16Å | ||
| 824 | T | 32.3 | Very low | 31.6 | Very low | 72 Ų | 72 | 105.7 Ų | 105.7 | 44% | 0.442 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -37.4 | 115.8 | 153.3 | 48.5 | 0 | 0 | 0 | 0 | 108.4 | P822 G826 | P822-T824 PolarHBondContact O-N 2.87Å; T824-G826 PolarHBondContact O-N 2.78Å |
| 825 | H | 35.5 | Very low | 33.5 | Very low | 102 Ų | 102 | 106.4 Ų | 106.4 | 47% | 0.472 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 38 | 79 | -175.8 | -76.2 | -72.1 | 0 | 0 | 0 | 113.1 | R823 N827 | R823-H825 PolarHBondContact O-N 3.29Å; R823-H825 VanDerWaalsContact O-N 3.09Å; H825-N827 VanDerWaalsContact C-N 3.32Å; H825-N827 PolarHBondContact O-N 3.39Å |
| 826 | G | 30 | Very low | 35.4 | Very low | 32 Ų | 32 | 105.3 Ų | 105.3 | 33% | 0.33 | 57% | 0.571 | S | S | . | * | trans | -52.8 | 91.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R823 T824 G828 | R823-G826 PolarHBondContact O-N 3.16Å; T824-G826 PolarHBondContact O-N 2.78Å; G826-G828 PolarHBondContact O-N 2.94Å | ||
| 827 | N | 29.5 | Very low | 37.2 | Very low | 128 Ų | 128 | 101.3 Ų | 101.3 | 68% | 0.684 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -57.1 | -10.7 | 158.5 | -78.6 | -16.1 | 0 | 0 | 0 | 111.4 | H825 | H825-N827 VanDerWaalsContact C-N 3.32Å; H825-N827 PolarHBondContact O-N 3.39Å |
| 828 | G | 33.1 | Very low | 39.3 | Very low | 36 Ų | 36 | 97.9 Ų | 97.9 | 37% | 0.371 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.1 | -24 | -174.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | G826 | G826-G828 PolarHBondContact O-N 2.94Å |
| 829 | R | 33.5 | Very low | 41.8 | Very low | 216 Ų | 216 | 99.2 Ų | 99.2 | 82% | 0.815 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -97.4 | -18.6 | 177.1 | -80.4 | -171.8 | 177.9 | 176.7 | -0.1 | 113.5 | ||
| 830 | Y | 37 | Very low | 43.7 | Very low | 51 Ų | 51 | 95 Ų | 95 | 20% | 0.2 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -75.3 | -33.6 | 179.6 | -76.4 | -83.6 | 0 | 0 | 0 | 112.7 | A832 M833 R838 R841 N874 G875 | Y830-A832 PolarHBondContact O-N 3.48Å; Y830-M833 PolarHBondContact O-N 3.22Å; Y830-M833 VanDerWaalsContact O-N 3.16Å; Y830-R838 PolarHBondContact O-NH2 2.98Å; Y830-R841 PolarHBondContact OH-NH2 2.97Å; Y830-R841 VanDerWaalsContact OH-NH2 3.15Å; Y830-N874 PolarHBondContact OH-O 3.4Å; Y830-N874 VanDerWaalsContact OH-O 3.14Å; Y830-G875 PolarHBondContact OH-O 3.46Å |
| 831 | D | 42.6 | Very low | 45.6 | Very low | 130 Ų | 130 | 92.4 Ų | 92.4 | 70% | 0.695 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -24.7 | -179.1 | -70.8 | -22.7 | 0 | 0 | 0 | 112.5 | ||
| 832 | A | 49.8 | Very low | 48 | Very low | 86 Ų | 86 | 90.3 Ų | 90.3 | 71% | 0.711 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -12.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y830 | Y830-A832 PolarHBondContact O-N 3.48Š|
| 833 | M | 52.9 | Low | 50.1 | Low | 27 Ų | 27 | 91.9 Ų | 91.9 | 13% | 0.133 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -78 | 131.4 | -178.7 | -79.6 | -172.8 | 153.3 | 0 | 0 | 111.8 | F806 Y830 E837 R838 | F806-M833 HydrophobicContact CZ-CE 4.39Å; Y830-M833 PolarHBondContact O-N 3.22Å; Y830-M833 VanDerWaalsContact O-N 3.16Å; M833-E837 HydrophobicContact CB-CB 4.23Å; M833-E837 HydrophobicContact CG-CB 4.29Å; M833-E837 HydrophobicContact SD-CB 4.44Å; M833-R838 HydrophobicContact CB-CG 3.78Å; M833-R838 PolarHBondContact O-NE 2.69Å; M833-R838 PolarHBondContact O-NH2 3.04Å; M833-R838 VanDerWaalsContact O-NH2 3.12Å |
| 834 | T | 66.6 | Low | 51.6 | Low | 69 Ų | 69 | 86.2 Ų | 86.2 | 42% | 0.423 | 46% | 0.455 | S | S | . | . | trans | -61.3 | 153.2 | 169.5 | 64.1 | 0 | 0 | 0 | 0 | 110.7 | S836 E837 R838 | T834-S836 PolarHBondContact O-N 3.11Å; T834-S836 VanDerWaalsContact O-N 3.1Å; T834-E837 WeakPolarHBondContact CB-OE2 3.29Å; T834-E837 PolarHBondContact N-OE2 2.81Å; T834-E837 PolarHBondContact O-N 3.41Å; T834-E837 VanDerWaalsContact OG1-CG 3.29Å; T834-E837 WeakPolarHBondContact OG1-CG 3.47Å; T834-E837 PolarHBondContact OG1-N 3.31Å; T834-E837 PolarHBondContact OG1-OE2 3.35Å; T834-R838 PolarHBondContact O-N 2.86Å; T834-R838 VanDerWaalsContact O-N 3.08Å | ||
| 835 | P | 66.3 | Low | 53.2 | Low | 110 Ų | 110 | 83.7 Ų | 83.7 | 71% | 0.714 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -54.1 | -32.4 | 175.9 | -27 | 34.6 | 0 | 0 | 0 | 113.6 | K839 | P835-K839 WeakPolarHBondContact O-CB 3.29Å; P835-K839 PolarHBondContact O-N 2.91Å |
| 836 | S | 61.8 | Low | 55 | Low | 68 Ų | 68 | 82.4 Ų | 82.4 | 48% | 0.476 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | T834 K839 K840 | T834-S836 PolarHBondContact O-N 3.11Å; T834-S836 VanDerWaalsContact O-N 3.1Å; S836-K839 PolarHBondContact O-N 2.91Å; S836-K840 WeakPolarHBondContact O-CG 3.43Å; S836-K840 PolarHBondContact O-N 3.27Å |
| 837 | E | 59 | Low | 56.7 | Low | 74 Ų | 74 | 82.6 Ų | 82.6 | 35% | 0.346 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.6 | -41.3 | 177.5 | -71.6 | 160.3 | 153.3 | 0 | 0 | 112 | M833 T834 K839 K840 R841 | M833-E837 HydrophobicContact CB-CB 4.23Å; M833-E837 HydrophobicContact CG-CB 4.29Å; M833-E837 HydrophobicContact SD-CB 4.44Å; T834-E837 WeakPolarHBondContact CB-OE2 3.29Å; T834-E837 PolarHBondContact N-OE2 2.81Å; T834-E837 PolarHBondContact O-N 3.41Å; T834-E837 VanDerWaalsContact OG1-CG 3.29Å; T834-E837 WeakPolarHBondContact OG1-CG 3.47Å; T834-E837 PolarHBondContact OG1-N 3.31Å; T834-E837 PolarHBondContact OG1-OE2 3.35Å; E837-K839 VanDerWaalsContact C-N 3.33Å; E837-K839 PolarHBondContact O-N 3.21Å; E837-K840 PolarHBondContact O-N 3.38Å; E837-R841 WeakPolarHBondContact O-CB 3.23Å; E837-R841 PolarHBondContact O-N 3.33Å |
| 838 | R | 63.4 | Low | 58.2 | Low | 104 Ų | 104 | 77.4 Ų | 77.4 | 39% | 0.392 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 174.8 | -64.9 | -177.2 | -157.2 | -179 | 0.4 | 111.2 | Y830 M833 T834 R841 L842 | Y830-R838 PolarHBondContact O-NH2 2.98Å; M833-R838 HydrophobicContact CB-CG 3.78Å; M833-R838 PolarHBondContact O-NE 2.69Å; M833-R838 PolarHBondContact O-NH2 3.04Å; M833-R838 VanDerWaalsContact O-NH2 3.12Å; T834-R838 PolarHBondContact O-N 2.86Å; T834-R838 VanDerWaalsContact O-N 3.08Å; R838-R841 PolarHBondContact O-N 3.31Å; R838-L842 WeakPolarHBondContact O-CB 3.3Å; R838-L842 PolarHBondContact O-N 3.3Å |
| 839 | K | 71.1 | Confident | 60 | Low | 137 Ų | 137 | 78 Ų | 78 | 60% | 0.596 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.4 | -47.6 | 176 | -176 | 174.8 | 179.7 | 175.2 | 0 | 111.7 | P835 S836 E837 R841 L842 D843 | P835-K839 WeakPolarHBondContact O-CB 3.29Å; P835-K839 PolarHBondContact O-N 2.91Å; S836-K839 PolarHBondContact O-N 2.91Å; E837-K839 VanDerWaalsContact C-N 3.33Å; E837-K839 PolarHBondContact O-N 3.21Å; K839-R841 VanDerWaalsContact C-N 3.31Å; K839-R841 PolarHBondContact O-N 3.23Å; K839-L842 PolarHBondContact O-N 3.39Å; K839-D843 VanDerWaalsContact O-CG 3.23Å; K839-D843 PolarHBondContact O-N 3.37Å |
| 840 | K | 59.5 | Low | 61.5 | Low | 121 Ų | 121 | 71.3 Ų | 71.3 | 53% | 0.526 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 177.4 | -74.2 | 171.9 | -174.5 | 173.2 | 0 | 112.4 | S836 E837 D843 I844 | S836-K840 WeakPolarHBondContact O-CG 3.43Å; S836-K840 PolarHBondContact O-N 3.27Å; E837-K840 PolarHBondContact O-N 3.38Å; K840-D843 PolarHBondContact O-N 2.97Å; K840-I844 VanDerWaalsContact O-CG1 3.27Å; K840-I844 WeakPolarHBondContact O-CG1 3.39Å; K840-I844 PolarHBondContact O-N 2.55Å |
| 841 | R | 60.6 | Low | 62.5 | Low | 44 Ų | 44 | 70.8 Ų | 70.8 | 17% | 0.166 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 178.3 | -172.2 | 173.5 | -179.5 | 149.9 | 3.5 | 111.5 | Y830 E837 R838 K839 I844 E845 W870 N874 | Y830-R841 PolarHBondContact OH-NH2 2.97Å; Y830-R841 VanDerWaalsContact OH-NH2 3.15Å; E837-R841 WeakPolarHBondContact O-CB 3.23Å; E837-R841 PolarHBondContact O-N 3.33Å; R838-R841 PolarHBondContact O-N 3.31Å; K839-R841 VanDerWaalsContact C-N 3.31Å; K839-R841 PolarHBondContact O-N 3.23Å; R841-I844 PolarHBondContact O-N 3.36Å; R841-E845 WeakPolarHBondContact O-CB 3.45Å; R841-E845 PolarHBondContact O-N 2.92Å; R841-W870 HydrophobicContact CG-CH2 4.33Å; R841-N874 PolarHBondContact NE-O 3.5Å; R841-N874 PolarHBondContact NH2-O 3.04Å; R841-N874 PolarHBondContact NH2-OD1 2.99Å |
| 842 | L | 73.1 | Confident | 63.6 | Low | 71 Ų | 71 | 65 Ų | 65 | 37% | 0.372 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 174.4 | -173.6 | 66.4 | 0 | 0 | 0 | 111.9 | R838 K839 I844 E845 N846 | R838-L842 WeakPolarHBondContact O-CB 3.3Å; R838-L842 PolarHBondContact O-N 3.3Å; K839-L842 PolarHBondContact O-N 3.39Å; L842-I844 VanDerWaalsContact C-N 3.31Å; L842-I844 PolarHBondContact O-N 2.98Å; L842-E845 PolarHBondContact O-N 3.41Å; L842-N846 WeakPolarHBondContact O-CB 3.43Å; L842-N846 VanDerWaalsContact O-CG 3.25Å; L842-N846 PolarHBondContact O-N 2.67Å; L842-N846 PolarHBondContact O-ND2 3.39Å |
| 843 | D | 68 | Low | 64.4 | Low | 87 Ų | 87 | 65.6 Ų | 65.6 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 175.1 | -68 | -22.6 | 0 | 0 | 0 | 111.5 | K839 K840 C847 | K839-D843 VanDerWaalsContact O-CG 3.23Å; K839-D843 PolarHBondContact O-N 3.37Å; K840-D843 PolarHBondContact O-N 2.97Å; D843-C847 VanDerWaalsContact O-CB 3.26Å; D843-C847 WeakPolarHBondContact O-CB 3.46Å; D843-C847 PolarHBondContact O-N 3.33Å |
| 844 | I | 57.3 | Low | 64.5 | Low | 45 Ų | 45 | 65.5 Ų | 65.5 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.5 | -47.3 | 174.6 | -68.3 | 163.6 | 0 | 0 | 0 | 110.7 | K840 R841 L842 N846 C847 I848 W870 | K840-I844 VanDerWaalsContact O-CG1 3.27Å; K840-I844 WeakPolarHBondContact O-CG1 3.39Å; K840-I844 PolarHBondContact O-N 2.55Å; R841-I844 PolarHBondContact O-N 3.36Å; L842-I844 VanDerWaalsContact C-N 3.31Å; L842-I844 PolarHBondContact O-N 2.98Å; I844-N846 PolarHBondContact O-N 3.1Å; I844-C847 WeakPolarHBondContact O-CB 3.15Å; I844-C847 PolarHBondContact O-N 3.24Å; I844-C847 VanDerWaalsContact O-N 3.15Å; I844-I848 HydrophobicContact CG2-CD1 3.76Å; I844-I848 HydrophobicContact CG2-CG1 4.35Å; I844-I848 WeakPolarHBondContact O-CG1 3.38Å; I844-I848 PolarHBondContact O-N 3Å; I844-W870 HydrophobicContact CB-CH2 4.25Å; I844-W870 HydrophobicContact CG2-CH2 3.65Å; I844-W870 HydrophobicContact CG2-CZ2 3.87Å; I844-W870 HydrophobicContact CG2-CZ3 4.22Å |
| 845 | E | 66.9 | Low | 63.7 | Low | 20 Ų | 20 | 63.4 Ų | 63.4 | 9% | 0.093 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.6 | -52.6 | 177 | -178.8 | 179.2 | 161.3 | 0 | 0 | 111.1 | R841 L842 C847 I848 V849 W870 L871 H876 | R841-E845 WeakPolarHBondContact O-CB 3.45Å; R841-E845 PolarHBondContact O-N 2.92Å; L842-E845 PolarHBondContact O-N 3.41Å; E845-C847 VanDerWaalsContact C-N 3.31Å; E845-C847 PolarHBondContact O-N 3.06Å; E845-I848 PolarHBondContact O-N 2.79Å; E845-V849 WeakPolarHBondContact O-CG2 3.42Å; E845-V849 PolarHBondContact O-N 3.38Å; E845-W870 HydrophobicContact CB-CH2 4.44Å; E845-W870 HydrophobicContact CB-CZ3 4.09Å; E845-L871 HydrophobicContact CB-CD2 4.4Å; E845-L871 HydrophobicContact CG-CD2 3.68Å; E845-H876 WeakPolarHBondContact OE2-CB 3.34Å; E845-H876 PolarHBondContact OE2-N 3.08Å |
| 846 | N | 73 | Confident | 63.3 | Low | 74 Ų | 74 | 59.2 Ų | 59.2 | 40% | 0.396 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.2 | -47.1 | 175 | -71.9 | -28.6 | 0 | 0 | 0 | 110.6 | L842 I844 I848 V849 E850 | L842-N846 WeakPolarHBondContact O-CB 3.43Å; L842-N846 VanDerWaalsContact O-CG 3.25Å; L842-N846 PolarHBondContact O-N 2.67Å; L842-N846 PolarHBondContact O-ND2 3.39Å; I844-N846 PolarHBondContact O-N 3.1Å; N846-I848 VanDerWaalsContact C-N 3.35Å; N846-I848 PolarHBondContact O-N 2.85Å; N846-V849 PolarHBondContact O-N 3.5Å; N846-E850 WeakPolarHBondContact O-CB 3.49Å; N846-E850 WeakPolarHBondContact O-CG 3.45Å; N846-E850 PolarHBondContact O-N 2.92Å |
| 847 | C | 65.3 | Low | 63.1 | Low | 37 Ų | 37 | 60.9 Ų | 60.9 | 25% | 0.25 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.3 | -45.6 | 178.3 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | D843 I844 E845 E850 Q851 | D843-C847 VanDerWaalsContact O-CB 3.26Å; D843-C847 WeakPolarHBondContact O-CB 3.46Å; D843-C847 PolarHBondContact O-N 3.33Å; I844-C847 WeakPolarHBondContact O-CB 3.15Å; I844-C847 PolarHBondContact O-N 3.24Å; I844-C847 VanDerWaalsContact O-N 3.15Å; E845-C847 VanDerWaalsContact C-N 3.31Å; E845-C847 PolarHBondContact O-N 3.06Å; C847-E850 PolarHBondContact O-N 2.93Å; C847-Q851 WeakPolarHBondContact O-CG 3.44Å; C847-Q851 PolarHBondContact O-N 2.69Å |
| 848 | I | 60.7 | Low | 62.6 | Low | 19 Ų | 19 | 58.9 Ų | 58.9 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.6 | -48.2 | 179.4 | -65.5 | 168.2 | 0 | 0 | 0 | 110.7 | I844 E845 N846 E850 Q851 L852 A867 W870 L871 | I844-I848 HydrophobicContact CG2-CD1 3.76Å; I844-I848 HydrophobicContact CG2-CG1 4.35Å; I844-I848 WeakPolarHBondContact O-CG1 3.38Å; I844-I848 PolarHBondContact O-N 3Å; E845-I848 PolarHBondContact O-N 2.79Å; N846-I848 VanDerWaalsContact C-N 3.35Å; N846-I848 PolarHBondContact O-N 2.85Å; I848-E850 VanDerWaalsContact C-N 3.25Å; I848-E850 PolarHBondContact O-N 3.28Å; I848-Q851 CarbonylContact O-C 3.59Å; I848-Q851 PolarHBondContact O-N 3.38Å; I848-Q851 VanDerWaalsContact O-N 3.07Å; I848-L852 HydrophobicContact CG2-CD1 4Å; I848-L852 HydrophobicContact CG2-CG 4.4Å; I848-L852 WeakPolarHBondContact O-CG 3.08Å; I848-L852 PolarHBondContact O-N 3.4Å; I848-A867 HydrophobicContact CG2-CB 3.57Å; I848-W870 HydrophobicContact CD1-CD2 3.82Å; I848-W870 HydrophobicContact CD1-CE3 3.38Å; I848-W870 HydrophobicContact CD1-CG 4.45Å; I848-W870 HydrophobicContact CD1-CH2 4.38Å; I848-W870 HydrophobicContact CD1-CZ3 3.72Å; I848-L871 HydrophobicContact CB-CD2 4.36Å; I848-L871 HydrophobicContact CG2-CD1 3.77Å; I848-L871 HydrophobicContact CG2-CD2 4.3Å; I848-L871 HydrophobicContact CG2-CG 3.94Å |
| 849 | V | 71.3 | Confident | 62.2 | Low | 48 Ų | 48 | 54 Ų | 54 | 29% | 0.291 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.3 | -42.8 | 177.1 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | E845 N846 L852 N853 L871 | E845-V849 WeakPolarHBondContact O-CG2 3.42Å; E845-V849 PolarHBondContact O-N 3.38Å; N846-V849 PolarHBondContact O-N 3.5Å; V849-L852 PolarHBondContact O-N 2.68Å; V849-N853 VanDerWaalsContact O-CG 3.25Å; V849-N853 PolarHBondContact O-N 3.41Å; V849-N853 PolarHBondContact O-ND2 3.25Å; V849-L871 HydrophobicContact CG2-CD1 3.76Å; V849-L871 HydrophobicContact CG2-CD2 3.92Å |
| 850 | E | 65.6 | Low | 61.1 | Low | 75 Ų | 75 | 54.1 Ų | 54.1 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 174.7 | -67.4 | -179 | 172.5 | 0 | 0 | 111.5 | K623 N846 C847 I848 L852 N853 V854 | K623-E850 HydrophobicContact CD-CB 4.39Å; K623-E850 HydrophobicContact CD-CG 4.38Å; K623-E850 VanDerWaalsContact CE-CG 3.42Å; K623-E850 WeakPolarHBondContact CE-OE2 3.18Å; K623-E850 IonicContact NZ-OE1 3.81Å; K623-E850 PolarHBondContact NZ-OE1 3.45Å; K623-E850 IonicContact NZ-OE2 2.65Å; K623-E850 PolarHBondContact NZ-OE2 2.73Å; N846-E850 WeakPolarHBondContact O-CB 3.49Å; N846-E850 WeakPolarHBondContact O-CG 3.45Å; N846-E850 PolarHBondContact O-N 2.92Å; C847-E850 PolarHBondContact O-N 2.93Å; I848-E850 VanDerWaalsContact C-N 3.25Å; I848-E850 PolarHBondContact O-N 3.28Å; E850-L852 VanDerWaalsContact C-N 3.32Å; E850-L852 PolarHBondContact O-N 3.15Å; E850-N853 PolarHBondContact O-N 2.69Å; E850-V854 WeakPolarHBondContact O-CG2 3.38Å; E850-V854 PolarHBondContact O-N 3.06Å; E850-V854 VanDerWaalsContact O-N 3.16Å |
| 851 | Q | 57.3 | Low | 60.5 | Low | 40 Ų | 40 | 49.3 Ų | 49.3 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.5 | -32.6 | 176.5 | -66.6 | -46.6 | -64 | 0 | 0 | 113.6 | C847 I848 V854 H855 W863 | C847-Q851 WeakPolarHBondContact O-CG 3.44Å; C847-Q851 PolarHBondContact O-N 2.69Å; I848-Q851 CarbonylContact O-C 3.59Å; I848-Q851 PolarHBondContact O-N 3.38Å; I848-Q851 VanDerWaalsContact O-N 3.07Å; Q851-V854 WeakPolarHBondContact O-CB 3.35Å; Q851-V854 PolarHBondContact O-N 3.14Å; Q851-H855 WeakPolarHBondContact O-CB 3.05Å; Q851-H855 PolarHBondContact O-CD2 2.96Å; Q851-H855 PolarHBondContact O-N 3.16Å; Q851-W863 HydrophobicContact CB-CH2 4.23Å; Q851-W863 HydrophobicContact CB-CZ3 4.2Å |
| 852 | L | 66.4 | Low | 59.9 | Low | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70 | -43.8 | 175.7 | -73.2 | 170 | 0 | 0 | 0 | 111.3 | I848 V849 E850 V854 H855 A856 W863 Y864 A867 H868 L871 | I848-L852 HydrophobicContact CG2-CD1 4Å; I848-L852 HydrophobicContact CG2-CG 4.4Å; I848-L852 WeakPolarHBondContact O-CG 3.08Å; I848-L852 PolarHBondContact O-N 3.4Å; V849-L852 PolarHBondContact O-N 2.68Å; E850-L852 VanDerWaalsContact C-N 3.32Å; E850-L852 PolarHBondContact O-N 3.15Å; L852-V854 PolarHBondContact O-N 3.05Å; L852-V854 VanDerWaalsContact O-N 3.15Å; L852-H855 PolarHBondContact O-N 3.27Å; L852-A856 VanDerWaalsContact O-CA 3.31Å; L852-A856 WeakPolarHBondContact O-CA 3.3Å; L852-A856 WeakPolarHBondContact O-CB 3.25Å; L852-A856 PolarHBondContact O-N 3.49Å; L852-W863 HydrophobicContact CD2-CE3 4.46Å; L852-W863 HydrophobicContact CD2-CH2 3.78Å; L852-W863 HydrophobicContact CD2-CZ3 3.54Å; L852-W863 HydrophobicContact CG-CH2 4.41Å; L852-W863 HydrophobicContact CG-CZ3 4.05Å; L852-Y864 HydrophobicContact CD2-CD2 3.63Å; L852-Y864 HydrophobicContact CD2-CE2 3.69Å; L852-Y864 HydrophobicContact CD2-CG 4.41Å; L852-A867 HydrophobicContact CD1-CB 4.08Å; L852-A867 HydrophobicContact CD2-CB 3.94Å; L852-A867 HydrophobicContact CG-CB 4.17Å; L852-H868 VanDerWaalsContact CD2-CD2 3.49Å; L852-H868 WeakPolarHBondContact CD2-CD2 3.09Å; L852-H868 WeakPolarHBondContact CD2-NE2 3.31Å; L852-L871 HydrophobicContact CD1-CD1 3.5Å; L852-L871 VanDerWaalsContact CD1-CD1 3.5Å |
| 853 | N | 67.2 | Low | 59.1 | Low | 97 Ų | 97 | 48.5 Ų | 48.5 | 52% | 0.519 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.5 | -24.8 | 175.7 | -71.4 | -28.2 | 0 | 0 | 0 | 113.2 | V849 E850 | V849-N853 VanDerWaalsContact O-CG 3.25Å; V849-N853 PolarHBondContact O-N 3.41Å; V849-N853 PolarHBondContact O-ND2 3.25Å; E850-N853 PolarHBondContact O-N 2.69Å |
| 854 | V | 54.7 | Low | 59 | Low | 25 Ų | 25 | 44.5 Ų | 44.5 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77.4 | -53.7 | 175.9 | 162.5 | 0 | 0 | 0 | 0 | 112.1 | A621 C622 K623 E850 Q851 L852 | A621-V854 WeakPolarHBondContact O-CG1 3.22Å; C622-V854 VanDerWaalsContact C-CA 3.43Å; C622-V854 VanDerWaalsContact CA-CG2 3.45Å; C622-V854 VanDerWaalsContact N-CG2 3.35Å; C622-V854 VanDerWaalsContact O-CA 3.32Å; C622-V854 WeakPolarHBondContact O-CA 3.28Å; C622-V854 VanDerWaalsContact O-CG1 3.31Å; C622-V854 WeakPolarHBondContact O-CG1 3.1Å; K623-V854 HydrophobicContact CB-CG2 3.64Å; K623-V854 HydrophobicContact CG-CG2 4.31Å; E850-V854 WeakPolarHBondContact O-CG2 3.38Å; E850-V854 PolarHBondContact O-N 3.06Å; E850-V854 VanDerWaalsContact O-N 3.16Å; Q851-V854 WeakPolarHBondContact O-CB 3.35Å; Q851-V854 PolarHBondContact O-N 3.14Å; L852-V854 PolarHBondContact O-N 3.05Å; L852-V854 VanDerWaalsContact O-N 3.15Å |
| 855 | H | 49.4 | Very low | 60 | Low | 25 Ų | 25 | 43.4 Ų | 43.4 | 12% | 0.116 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -105.8 | 23.7 | -166.8 | -68.5 | -57.7 | 0 | 0 | 0 | 112 | L620 A621 Q851 L852 L857 S858 W863 | L620-H855 VanDerWaalsContact CA-NE2 3.33Å; L620-H855 WeakPolarHBondContact CA-NE2 3.2Å; L620-H855 PolarHBondContact N-NE2 3.19Å; L620-H855 PolarHBondContact O-CE1 3.04Å; L620-H855 PolarHBondContact O-NE2 3.44Å; A621-H855 PolarHBondContact N-CE1 3.12Å; A621-H855 PolarHBondContact N-NE2 2.64Å; Q851-H855 WeakPolarHBondContact O-CB 3.05Å; Q851-H855 PolarHBondContact O-CD2 2.96Å; Q851-H855 PolarHBondContact O-N 3.16Å; L852-H855 PolarHBondContact O-N 3.27Å; H855-L857 PolarHBondContact O-N 3.11Å; H855-S858 WeakPolarHBondContact O-CA 3.48Å; H855-S858 WeakPolarHBondContact O-CB 3.42Å; H855-S858 PolarHBondContact O-N 3.29Å; H855-W863 HydrophobicContact CB-CH2 3.91Å; H855-W863 HydrophobicContact CB-CZ2 3.56Å |
| 856 | A | 58 | Low | 60.2 | Low | 22 Ų | 22 | 47.6 Ų | 47.6 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -34.8 | -171 | 0 | 0 | 0 | 0 | 0 | 112.7 | L852 I917 | L852-A856 VanDerWaalsContact O-CA 3.31Å; L852-A856 WeakPolarHBondContact O-CA 3.3Å; L852-A856 WeakPolarHBondContact O-CB 3.25Å; L852-A856 PolarHBondContact O-N 3.49Å; A856-I917 HydrophobicContact CB-CD1 3.53Å; A856-I917 WeakPolarHBondContact O-CG2 3.47Å |
| 857 | L | 57.4 | Low | 60 | Low | 104 Ų | 104 | 44.5 Ų | 44.5 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -5.4 | 177.7 | -62.8 | 176 | 0 | 0 | 0 | 114.5 | H855 L859 I917 | H855-L857 PolarHBondContact O-N 3.11Å; L857-L859 PolarHBondContact O-N 3.4Å; L857-I917 HydrophobicContact CD2-CD1 4Å; L857-I917 HydrophobicContact CD2-CG1 4.4Å |
| 858 | S | 48.4 | Very low | 61 | Low | 32 Ų | 32 | 42.9 Ų | 42.9 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | trans | -84 | 51.8 | 174.7 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | H855 Y860 | H855-S858 WeakPolarHBondContact O-CA 3.48Å; H855-S858 WeakPolarHBondContact O-CB 3.42Å; H855-S858 PolarHBondContact O-N 3.29Å; S858-Y860 PolarHBondContact O-N 3.41Å; S858-Y860 VanDerWaalsContact O-N 3.09Å | ||
| 859 | L | 54.8 | Low | 62.1 | Low | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20 | -178.9 | -63.9 | 175.3 | 0 | 0 | 0 | 113.3 | L857 S861 Y864 V893 R896 H897 L900 F916 I917 | L857-L859 PolarHBondContact O-N 3.4Å; L859-S861 PolarHBondContact O-N 3.16Å; L859-Y864 HydrophobicContact CD2-CD1 4Å; L859-Y864 HydrophobicContact CD2-CE1 3.67Å; L859-Y864 HydrophobicContact CD2-CE2 4.28Å; L859-Y864 HydrophobicContact CD2-CG 4.42Å; L859-V893 HydrophobicContact CB-CG1 4.08Å; L859-V893 HydrophobicContact CD2-CG1 4.3Å; L859-V893 WeakPolarHBondContact O-CG1 2.91Å; L859-R896 HydrophobicContact CD1-CB 4Å; L859-H897 HydrophobicContact CB-CB 3.82Å; L859-L900 HydrophobicContact CD1-CD2 4.46Å; L859-F916 HydrophobicContact CD1-CB 4.29Å; L859-I917 HydrophobicContact CD2-CG2 3.85Å |
| 860 | Y | 49.1 | Very low | 62.4 | Low | 139 Ų | 139 | 42.4 Ų | 42.4 | 55% | 0.545 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -11.6 | -176 | 71.7 | -92.8 | 0 | 0 | 0 | 114.6 | S858 | S858-Y860 PolarHBondContact O-N 3.41Å; S858-Y860 VanDerWaalsContact O-N 3.09Å |
| 861 | S | 45 | Very low | 63.2 | Low | 19 Ų | 19 | 38.9 Ų | 38.9 | 13% | 0.133 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -105.7 | 127.1 | -165.3 | -154.6 | 0 | 0 | 0 | 0 | 112.2 | L859 W863 Y864 | L859-S861 PolarHBondContact O-N 3.16Å; S861-W863 PolarHBondContact O-N 3.07Å; S861-W863 PolarHBondContact OG-NE1 3.25Å; S861-Y864 WeakPolarHBondContact O-CB 3.29Å; S861-Y864 PolarHBondContact O-N 2.96Å |
| 862 | P | 49.3 | Very low | 64.7 | Low | 57 Ų | 57 | 37.4 Ų | 37.4 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.5 | -176.1 | -26.9 | 33.5 | 0 | 0 | 0 | 115.1 | Y864 L1248 | P862-Y864 PolarHBondContact O-N 3.23Å; P862-L1248 HydrophobicContact CB-CD2 4.17Å; P862-L1248 HydrophobicContact CG-CB 4.33Å; P862-L1248 HydrophobicContact CG-CD2 3.99Å |
| 863 | W | 56.3 | Low | 65.3 | Low | 41 Ų | 41 | 40.4 Ų | 40.4 | 16% | 0.155 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.8 | -24.4 | 177.3 | 77 | -83.4 | 0 | 0 | 0 | 112.5 | P619 Q851 L852 H855 S861 R866 A867 | P619-W863 HydrophobicContact CB-CZ2 4.36Å; P619-W863 HydrophobicContact CG-CD2 3.77Å; P619-W863 VanDerWaalsContact CG-CE2 3.47Å; P619-W863 HydrophobicContact CG-CG 3.59Å; P619-W863 HydrophobicContact CG-CZ2 4.24Å; Q851-W863 HydrophobicContact CB-CH2 4.23Å; Q851-W863 HydrophobicContact CB-CZ3 4.2Å; L852-W863 HydrophobicContact CD2-CE3 4.46Å; L852-W863 HydrophobicContact CD2-CH2 3.78Å; L852-W863 HydrophobicContact CD2-CZ3 3.54Å; L852-W863 HydrophobicContact CG-CH2 4.41Å; L852-W863 HydrophobicContact CG-CZ3 4.05Å; H855-W863 HydrophobicContact CB-CH2 3.91Å; H855-W863 HydrophobicContact CB-CZ2 3.56Å; S861-W863 PolarHBondContact O-N 3.07Å; S861-W863 PolarHBondContact OG-NE1 3.25Å; W863-R866 CarbonylContact O-C 3.55Å; W863-R866 PolarHBondContact O-N 3.26Å; W863-A867 HydrophobicContact CE3-CB 3.7Å; W863-A867 HydrophobicContact CZ3-CB 3.9Å; W863-A867 VanDerWaalsContact O-CB 3.23Å; W863-A867 WeakPolarHBondContact O-CB 3.4Å; W863-A867 PolarHBondContact O-N 3.38Å |
| 864 | Y | 66.8 | Low | 65.6 | Low | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -52.7 | -176.9 | -175.8 | -90.9 | 0 | 0 | 0 | 110.6 | L852 L859 S861 P862 R866 A867 H868 E889 V893 | L852-Y864 HydrophobicContact CD2-CD2 3.63Å; L852-Y864 HydrophobicContact CD2-CE2 3.69Å; L852-Y864 HydrophobicContact CD2-CG 4.41Å; L859-Y864 HydrophobicContact CD2-CD1 4Å; L859-Y864 HydrophobicContact CD2-CE1 3.67Å; L859-Y864 HydrophobicContact CD2-CE2 4.28Å; L859-Y864 HydrophobicContact CD2-CG 4.42Å; S861-Y864 WeakPolarHBondContact O-CB 3.29Å; S861-Y864 PolarHBondContact O-N 2.96Å; P862-Y864 PolarHBondContact O-N 3.23Å; Y864-R866 VanDerWaalsContact C-N 3.29Å; Y864-R866 PolarHBondContact O-N 3.3Å; Y864-A867 PolarHBondContact O-N 2.97Å; Y864-H868 AromaticContact CE1-CD2 3.68Å; Y864-H868 AromaticContact CE1-NE2 3.89Å; Y864-H868 AromaticContact CE2-NE2 3.78Å; Y864-H868 AromaticContact CZ-CD2 3.67Å; Y864-H868 AromaticContact CZ-NE2 3.41Å; Y864-H868 PolarHBondContact O-CD2 3.3Å; Y864-H868 PolarHBondContact O-N 2.97Å; Y864-H868 PolarHBondContact OH-NE2 2.83Å; Y864-E889 HydrophobicContact CE1-CB 4.49Å; Y864-E889 WeakPolarHBondContact CE1-O 3.37Å; Y864-E889 PolarHBondContact OH-OE2 2.75Å; Y864-V893 HydrophobicContact CD1-CG1 4.02Å; Y864-V893 HydrophobicContact CD1-CG2 3.9Å; Y864-V893 HydrophobicContact CE1-CG2 4.43Å |
| 865 | A | 76.6 | Confident | 66.1 | Low | 22 Ų | 22 | 37.3 Ų | 37.3 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.9 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H868 E869 V893 | A865-H868 PolarHBondContact O-N 3.42Å; A865-E869 WeakPolarHBondContact O-CB 3.35Å; A865-E869 PolarHBondContact O-N 3.46Å; A865-V893 HydrophobicContact CB-CG2 3.97Å |
| 866 | R | 71.1 | Confident | 66.8 | Low | 108 Ų | 108 | 39.3 Ų | 39.3 | 41% | 0.408 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.3 | -36.6 | -178.2 | -67.7 | -57.7 | -161.5 | 141.5 | 8.2 | 114 | W863 Y864 E869 W870 A944 | W863-R866 CarbonylContact O-C 3.55Å; W863-R866 PolarHBondContact O-N 3.26Å; Y864-R866 VanDerWaalsContact C-N 3.29Å; Y864-R866 PolarHBondContact O-N 3.3Å; R866-E869 IonicContact CZ-OE1 2.64Å; R866-E869 IonicContact NH1-OE1 2.86Å; R866-E869 PolarHBondContact NH1-OE1 3.04Å; R866-W870 VanDerWaalsContact O-CB 3.26Å; R866-W870 WeakPolarHBondContact O-CB 3.36Å; R866-W870 PolarHBondContact O-N 2.85Å; R866-A944 VanDerWaalsContact CZ-O 3.26Å; R866-A944 PolarHBondContact NH1-O 2.94Å; R866-A944 PolarHBondContact NH2-O 3.37Å |
| 867 | A | 69.2 | Low | 67.3 | Low | 10 Ų | 10 | 47 Ų | 47 | 8% | 0.083 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I848 L852 W863 Y864 W870 L871 | I848-A867 HydrophobicContact CG2-CB 3.57Å; L852-A867 HydrophobicContact CD1-CB 4.08Å; L852-A867 HydrophobicContact CD2-CB 3.94Å; L852-A867 HydrophobicContact CG-CB 4.17Å; W863-A867 HydrophobicContact CE3-CB 3.7Å; W863-A867 HydrophobicContact CZ3-CB 3.9Å; W863-A867 VanDerWaalsContact O-CB 3.23Å; W863-A867 WeakPolarHBondContact O-CB 3.4Å; W863-A867 PolarHBondContact O-N 3.38Å; Y864-A867 PolarHBondContact O-N 2.97Å; A867-W870 PolarHBondContact O-N 3.17Å; A867-L871 VanDerWaalsContact O-CG 3.3Å; A867-L871 WeakPolarHBondContact O-CG 3.08Å; A867-L871 PolarHBondContact O-N 2.85Å |
| 868 | H | 86.1 | Confident | 68.2 | Low | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.6 | -44.3 | 174.9 | -83.9 | -80.4 | 0 | 0 | 0 | 112.5 | L852 Y864 A865 W870 L871 A872 H886 E889 A890 | L852-H868 VanDerWaalsContact CD2-CD2 3.49Å; L852-H868 WeakPolarHBondContact CD2-CD2 3.09Å; L852-H868 WeakPolarHBondContact CD2-NE2 3.31Å; Y864-H868 AromaticContact CE1-CD2 3.68Å; Y864-H868 AromaticContact CE1-NE2 3.89Å; Y864-H868 AromaticContact CE2-NE2 3.78Å; Y864-H868 AromaticContact CZ-CD2 3.67Å; Y864-H868 AromaticContact CZ-NE2 3.41Å; Y864-H868 PolarHBondContact O-CD2 3.3Å; Y864-H868 PolarHBondContact O-N 2.97Å; Y864-H868 PolarHBondContact OH-NE2 2.83Å; A865-H868 PolarHBondContact O-N 3.42Å; H868-W870 VanDerWaalsContact C-N 3.32Å; H868-W870 PolarHBondContact O-N 3.46Å; H868-L871 PolarHBondContact O-N 2.68Å; H868-A872 WeakPolarHBondContact O-CB 3.41Å; H868-A872 PolarHBondContact O-N 3.02Å; H868-H886 WeakPolarHBondContact CB-O 3.21Å; H868-H886 AromaticContact CE1-ND1 3.68Å; H868-H886 AromaticContact ND1-CG 3.9Å; H868-H886 AromaticContact ND1-ND1 3.02Å; H868-H886 PolarHBondContact ND1-ND1 2.92Å; H868-H886 WeakPolarHBondContact O-CB 3.36Å; H868-E889 HydrophobicContact CB-CB 4.26Å; H868-E889 WeakPolarHBondContact CE1-CB 3.39Å; H868-E889 WeakPolarHBondContact ND1-CB 3.27Å; H868-A890 HydrophobicContact CB-CB 3.96Å |
| 869 | E | 83.8 | Confident | 70.2 | Confident | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.065 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.2 | -49 | 171.5 | 175.7 | 178.8 | 91.5 | 0 | 0 | 111.3 | A865 R866 L871 A872 L873 Y941 A944 | A865-E869 WeakPolarHBondContact O-CB 3.35Å; A865-E869 PolarHBondContact O-N 3.46Å; R866-E869 IonicContact CZ-OE1 2.64Å; R866-E869 IonicContact NH1-OE1 2.86Å; R866-E869 PolarHBondContact NH1-OE1 3.04Å; E869-L871 PolarHBondContact O-N 3.1Å; E869-A872 PolarHBondContact O-N 3.44Å; E869-L873 HydrophobicContact CG-CD1 3.76Å; E869-L873 HydrophobicContact CG-CG 4.49Å; E869-L873 WeakPolarHBondContact O-CB 3.27Å; E869-L873 VanDerWaalsContact O-CG 3.28Å; E869-L873 WeakPolarHBondContact O-CG 3.32Å; E869-L873 PolarHBondContact O-N 2.97Å; E869-Y941 HydrophobicContact CB-CE1 4.49Å; E869-Y941 HydrophobicContact CG-CE1 3.96Å; E869-Y941 WeakPolarHBondContact OE2-CE1 3.39Å; E869-Y941 PolarHBondContact OE2-OH 3.5Å; E869-A944 PolarHBondContact OE2-N 2.89Å; E869-A944 VanDerWaalsContact OE2-N 3.09Å |
| 870 | W | 78.3 | Confident | 71.9 | Confident | 44 Ų | 44 | 48 Ų | 48 | 17% | 0.167 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | -179.9 | -172.5 | 93.1 | 0 | 0 | 0 | 111.2 | R841 I844 E845 I848 R866 A867 H868 L873 N874 | R841-W870 HydrophobicContact CG-CH2 4.33Å; I844-W870 HydrophobicContact CB-CH2 4.25Å; I844-W870 HydrophobicContact CG2-CH2 3.65Å; I844-W870 HydrophobicContact CG2-CZ2 3.87Å; I844-W870 HydrophobicContact CG2-CZ3 4.22Å; E845-W870 HydrophobicContact CB-CH2 4.44Å; E845-W870 HydrophobicContact CB-CZ3 4.09Å; I848-W870 HydrophobicContact CD1-CD2 3.82Å; I848-W870 HydrophobicContact CD1-CE3 3.38Å; I848-W870 HydrophobicContact CD1-CG 4.45Å; I848-W870 HydrophobicContact CD1-CH2 4.38Å; I848-W870 HydrophobicContact CD1-CZ3 3.72Å; R866-W870 VanDerWaalsContact O-CB 3.26Å; R866-W870 WeakPolarHBondContact O-CB 3.36Å; R866-W870 PolarHBondContact O-N 2.85Å; A867-W870 PolarHBondContact O-N 3.17Å; H868-W870 VanDerWaalsContact C-N 3.32Å; H868-W870 PolarHBondContact O-N 3.46Å; W870-L873 PolarHBondContact O-N 3.22Å; W870-N874 HydrophobicContact CD2-CB 3.95Å; W870-N874 HydrophobicContact CE3-CB 4.25Å; W870-N874 HydrophobicContact CG-CB 4.46Å; W870-N874 HydrophobicContact CH2-CB 4.25Å; W870-N874 HydrophobicContact CZ2-CB 3.93Å; W870-N874 HydrophobicContact CZ3-CB 4.38Å; W870-N874 WeakPolarHBondContact O-CA 3.38Å; W870-N874 WeakPolarHBondContact O-CB 3.4Å; W870-N874 PolarHBondContact O-N 3.13Å; W870-N874 PolarHBondContact O-ND2 3.14Å |
| 871 | L | 82.6 | Confident | 74.1 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 177.5 | -71.6 | 173.1 | 0 | 0 | 0 | 112 | E845 I848 V849 L852 A867 H868 E869 L873 G875 L878 H886 | E845-L871 HydrophobicContact CB-CD2 4.4Å; E845-L871 HydrophobicContact CG-CD2 3.68Å; I848-L871 HydrophobicContact CB-CD2 4.36Å; I848-L871 HydrophobicContact CG2-CD1 3.77Å; I848-L871 HydrophobicContact CG2-CD2 4.3Å; I848-L871 HydrophobicContact CG2-CG 3.94Å; V849-L871 HydrophobicContact CG2-CD1 3.76Å; V849-L871 HydrophobicContact CG2-CD2 3.92Å; L852-L871 HydrophobicContact CD1-CD1 3.5Å; L852-L871 VanDerWaalsContact CD1-CD1 3.5Å; A867-L871 VanDerWaalsContact O-CG 3.3Å; A867-L871 WeakPolarHBondContact O-CG 3.08Å; A867-L871 PolarHBondContact O-N 2.85Å; H868-L871 PolarHBondContact O-N 2.68Å; E869-L871 PolarHBondContact O-N 3.1Å; L871-L873 VanDerWaalsContact C-N 3.33Å; L871-L873 PolarHBondContact O-N 3.21Å; L871-G875 WeakPolarHBondContact O-CA 3.28Å; L871-G875 PolarHBondContact O-N 3.49Å; L871-L878 VanDerWaalsContact O-CD1 3.24Å; L871-L878 WeakPolarHBondContact O-CD1 3.43Å; L871-H886 HydrophobicContact CB-CB 4.43Å; L871-H886 WeakPolarHBondContact CD1-CE1 3.11Å |
| 872 | A | 88 | Confident | 76.5 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | H868 E869 V883 H886 L887 | H868-A872 WeakPolarHBondContact O-CB 3.41Å; H868-A872 PolarHBondContact O-N 3.02Å; E869-A872 PolarHBondContact O-N 3.44Å; A872-V883 HydrophobicContact CB-CG1 4.3Å; A872-H886 HydrophobicContact CB-CB 3.8Å; A872-L887 HydrophobicContact CB-CD2 3.65Å; A872-L887 HydrophobicContact CB-CG 3.73Å |
| 873 | L | 80.3 | Confident | 78.6 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 38% | 0.377 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -87.4 | -26.8 | -175.4 | -61.8 | 175.6 | 0 | 0 | 0 | 113.4 | E869 W870 L871 T943 V952 | E869-L873 HydrophobicContact CG-CD1 3.76Å; E869-L873 HydrophobicContact CG-CG 4.49Å; E869-L873 WeakPolarHBondContact O-CB 3.27Å; E869-L873 VanDerWaalsContact O-CG 3.28Å; E869-L873 WeakPolarHBondContact O-CG 3.32Å; E869-L873 PolarHBondContact O-N 2.97Å; W870-L873 PolarHBondContact O-N 3.22Å; L871-L873 VanDerWaalsContact C-N 3.33Å; L871-L873 PolarHBondContact O-N 3.21Å; L873-T943 HydrophobicContact CD1-CG2 3.56Å; L873-T943 HydrophobicContact CD2-CG2 4.12Å; L873-T943 HydrophobicContact CG-CG2 4.46Å; L873-V952 HydrophobicContact CD2-CG2 4.2Å |
| 874 | N | 72 | Confident | 80.5 | Confident | 49 Ų | 49 | 38.9 Ų | 38.9 | 26% | 0.262 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -123.3 | -7.5 | -168.3 | -64.3 | -77.9 | 0 | 0 | 0 | 115.6 | Y830 R841 W870 | Y830-N874 PolarHBondContact OH-O 3.4Å; Y830-N874 VanDerWaalsContact OH-O 3.14Å; R841-N874 PolarHBondContact NE-O 3.5Å; R841-N874 PolarHBondContact NH2-O 3.04Å; R841-N874 PolarHBondContact NH2-OD1 2.99Å; W870-N874 HydrophobicContact CD2-CB 3.95Å; W870-N874 HydrophobicContact CE3-CB 4.25Å; W870-N874 HydrophobicContact CG-CB 4.46Å; W870-N874 HydrophobicContact CH2-CB 4.25Å; W870-N874 HydrophobicContact CZ2-CB 3.93Å; W870-N874 HydrophobicContact CZ3-CB 4.38Å; W870-N874 WeakPolarHBondContact O-CA 3.38Å; W870-N874 WeakPolarHBondContact O-CB 3.4Å; W870-N874 PolarHBondContact O-N 3.13Å; W870-N874 PolarHBondContact O-ND2 3.14Å |
| 875 | G | 65.3 | Low | 81.9 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | trans | -60.3 | 143.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y830 L871 | Y830-G875 PolarHBondContact OH-O 3.46Å; L871-G875 WeakPolarHBondContact O-CA 3.28Å; L871-G875 PolarHBondContact O-N 3.49Å | ||
| 876 | H | 64.8 | Low | 82.7 | Confident | 66 Ų | 66 | 39.6 Ų | 39.6 | 31% | 0.306 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 119.7 | -174.3 | 173.4 | -86 | 0 | 0 | 0 | 111.8 | E845 L878 | E845-H876 WeakPolarHBondContact OE2-CB 3.34Å; E845-H876 PolarHBondContact OE2-N 3.08Å; H876-L878 PolarHBondContact O-N 3.02Å |
| 877 | K | 68.5 | Low | 83.8 | Confident | 184 Ų | 184 | 34.5 Ų | 34.5 | 80% | 0.8 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 36 | 177.7 | -64.1 | -174.9 | -179.9 | -174.9 | 0 | 114 | ||
| 878 | L | 76.8 | Confident | 85 | Confident | 36 Ų | 36 | 34.1 Ų | 34.1 | 19% | 0.188 | 17% | 0.171 | C | C | . | . | trans | -67.5 | 135.9 | 174.9 | -61 | -174.3 | 0 | 0 | 0 | 110.7 | L871 H876 T882 V883 | L871-L878 VanDerWaalsContact O-CD1 3.24Å; L871-L878 WeakPolarHBondContact O-CD1 3.43Å; H876-L878 PolarHBondContact O-N 3.02Å; L878-T882 HydrophobicContact CB-CG2 4.44Å; L878-T882 HydrophobicContact CD1-CG2 4.13Å; L878-T882 HydrophobicContact CD2-CG2 3.74Å; L878-T882 HydrophobicContact CG-CG2 4.32Å; L878-V883 HydrophobicContact CB-CG2 3.81Å; L878-V883 HydrophobicContact CD1-CG2 4.33Å | ||
| 879 | D | 89.7 | Confident | 85.3 | Confident | 80 Ų | 80 | 34 Ų | 34 | 43% | 0.428 | 17% | 0.17 | S | C | . | . | trans | -73.4 | 166.2 | 168 | 67.7 | 91.9 | 0 | 0 | 0 | 111.2 | W881 T882 V883 | D879-W881 VanDerWaalsContact C-N 3.25Å; D879-W881 PolarHBondContact O-N 2.95Å; D879-W881 WeakPolarHBondContact OD1-CA 3.43Å; D879-W881 VanDerWaalsContact OD1-CB 3.27Å; D879-W881 WeakPolarHBondContact OD1-CB 3Å; D879-W881 PolarHBondContact OD1-N 3.27Å; D879-T882 PolarHBondContact O-N 3.42Å; D879-T882 PolarHBondContact OD1-N 2.95Å; D879-T882 VanDerWaalsContact OD1-N 3.09Å; D879-T882 WeakPolarHBondContact OD2-CB 3.47Å; D879-T882 PolarHBondContact OD2-OG1 2.93Å; D879-V883 WeakPolarHBondContact O-CG2 3.29Å; D879-V883 PolarHBondContact O-N 3.22Å; D879-V883 VanDerWaalsContact O-N 3.15Å | ||
| 880 | S | 90.9 | Very high | 85.5 | Confident | 44 Ų | 44 | 33.6 Ų | 33.6 | 31% | 0.308 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.3 | -33.2 | -176.2 | -55.4 | 0 | 0 | 0 | 0 | 113.6 | A884 P962 I964 | S880-A884 WeakPolarHBondContact O-CB 3.44Å; S880-A884 PolarHBondContact O-N 3.19Å; S880-P962 WeakPolarHBondContact CB-O 3.3Å; S880-I964 WeakPolarHBondContact O-CD1 3.14Å |
| 881 | W | 95.3 | Very high | 86.1 | Confident | 31 Ų | 31 | 31.8 Ų | 31.8 | 12% | 0.117 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74 | -37.6 | 179 | -78 | 103.9 | 0 | 0 | 0 | 112.1 | D879 A884 Y885 V921 V924 K925 V928 D961 P962 | D879-W881 VanDerWaalsContact C-N 3.25Å; D879-W881 PolarHBondContact O-N 2.95Å; D879-W881 WeakPolarHBondContact OD1-CA 3.43Å; D879-W881 VanDerWaalsContact OD1-CB 3.27Å; D879-W881 WeakPolarHBondContact OD1-CB 3Å; D879-W881 PolarHBondContact OD1-N 3.27Å; W881-A884 PolarHBondContact O-N 3.33Å; W881-Y885 WeakPolarHBondContact O-CB 3.35Å; W881-Y885 PolarHBondContact O-N 2.61Å; W881-V921 HydrophobicContact CB-CG1 3.52Å; W881-V921 HydrophobicContact CG-CG1 4.4Å; W881-V924 HydrophobicContact CE3-CG1 4.37Å; W881-V924 HydrophobicContact CZ3-CG1 4.18Å; W881-K925 VanDerWaalsContact CD1-CE 3.46Å; W881-K925 HydrophobicContact CD2-CD 4.14Å; W881-K925 VanDerWaalsContact CD2-CE 3.49Å; W881-K925 HydrophobicContact CD2-CG 3.54Å; W881-K925 HydrophobicContact CE3-CB 4.49Å; W881-K925 HydrophobicContact CE3-CD 4.45Å; W881-K925 HydrophobicContact CE3-CG 3.42Å; W881-K925 VanDerWaalsContact CE3-CG 3.42Å; W881-K925 HydrophobicContact CG-CD 4.41Å; W881-K925 HydrophobicContact CG-CG 4.26Å; W881-K925 HydrophobicContact CH2-CB 4.36Å; W881-K925 HydrophobicContact CH2-CG 3.81Å; W881-K925 HydrophobicContact CZ2-CG 3.91Å; W881-K925 HydrophobicContact CZ3-CB 4.23Å; W881-K925 HydrophobicContact CZ3-CG 3.56Å; W881-V928 HydrophobicContact CH2-CB 4.05Å; W881-V928 HydrophobicContact CH2-CG1 4.01Å; W881-V928 HydrophobicContact CH2-CG2 4.4Å; W881-V928 HydrophobicContact CZ3-CB 4.28Å; W881-V928 HydrophobicContact CZ3-CG2 4.19Å; W881-D961 PolarHBondContact NE1-OD1 2.98Å; W881-P962 VanDerWaalsContact CD2-CD 3.46Å; W881-P962 HydrophobicContact CD2-CG 3.61Å; W881-P962 HydrophobicContact CE3-CG 3.57Å; W881-P962 HydrophobicContact CG-CG 4.2Å; W881-P962 HydrophobicContact CH2-CG 4.08Å; W881-P962 HydrophobicContact CZ2-CG 4.13Å; W881-P962 HydrophobicContact CZ3-CG 3.8Å |
| 882 | T | 94.5 | Very high | 86.2 | Confident | 28 Ų | 28 | 32 Ų | 32 | 17% | 0.172 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 176 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | L878 D879 Y885 H886 V921 | L878-T882 HydrophobicContact CB-CG2 4.44Å; L878-T882 HydrophobicContact CD1-CG2 4.13Å; L878-T882 HydrophobicContact CD2-CG2 3.74Å; L878-T882 HydrophobicContact CG-CG2 4.32Å; D879-T882 PolarHBondContact O-N 3.42Å; D879-T882 PolarHBondContact OD1-N 2.95Å; D879-T882 VanDerWaalsContact OD1-N 3.09Å; D879-T882 WeakPolarHBondContact OD2-CB 3.47Å; D879-T882 PolarHBondContact OD2-OG1 2.93Å; T882-Y885 WeakPolarHBondContact O-CB 3.23Å; T882-Y885 PolarHBondContact O-N 3.12Å; T882-H886 PolarHBondContact O-CD2 3.46Å; T882-H886 PolarHBondContact O-N 3.01Å; T882-H886 VanDerWaalsContact O-N 3.16Å; T882-V921 HydrophobicContact CG2-CG2 4.45Å |
| 883 | V | 93.4 | Very high | 85.7 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 173 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | A872 L878 D879 Y885 H886 L887 I964 | A872-V883 HydrophobicContact CB-CG1 4.3Å; L878-V883 HydrophobicContact CB-CG2 3.81Å; L878-V883 HydrophobicContact CD1-CG2 4.33Å; D879-V883 WeakPolarHBondContact O-CG2 3.29Å; D879-V883 PolarHBondContact O-N 3.22Å; D879-V883 VanDerWaalsContact O-N 3.15Å; V883-Y885 VanDerWaalsContact C-N 3.32Å; V883-Y885 PolarHBondContact O-N 2.92Å; V883-H886 PolarHBondContact O-N 3Å; V883-L887 HydrophobicContact CG1-CD1 4.2Å; V883-L887 HydrophobicContact CG1-CG 4.49Å; V883-L887 PolarHBondContact O-N 3.3Å; V883-I964 HydrophobicContact CB-CD1 4.47Å; V883-I964 HydrophobicContact CG1-CG1 4.14Å; V883-I964 HydrophobicContact CG1-CG2 4.36Å |
| 884 | A | 96.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.5 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S880 W881 L887 C888 L954 M956 P962 | S880-A884 WeakPolarHBondContact O-CB 3.44Å; S880-A884 PolarHBondContact O-N 3.19Å; W881-A884 PolarHBondContact O-N 3.33Å; A884-L887 PolarHBondContact O-N 3.09Å; A884-C888 WeakPolarHBondContact O-CB 3.32Å; A884-C888 PolarHBondContact O-N 2.78Å; A884-C888 PolarHBondContact O-SG 2.89Å; A884-L954 HydrophobicContact CB-CD1 3.74Å; A884-L954 HydrophobicContact CB-CD2 4.13Å; A884-M956 HydrophobicContact CB-SD 4.2Å; A884-P962 HydrophobicContact CB-CB 3.93Å; A884-P962 HydrophobicContact CB-CG 3.91Å |
| 885 | Y | 96.4 | Very high | 85.5 | Confident | 25 Ų | 25 | 27.5 Ų | 27.5 | 10% | 0.098 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.4 | -53.4 | 174.2 | 164.8 | -102.4 | 0 | 0 | 0 | 111.6 | W881 T882 V883 L887 C888 E889 F918 D920 V921 V924 | W881-Y885 WeakPolarHBondContact O-CB 3.35Å; W881-Y885 PolarHBondContact O-N 2.61Å; T882-Y885 WeakPolarHBondContact O-CB 3.23Å; T882-Y885 PolarHBondContact O-N 3.12Å; V883-Y885 VanDerWaalsContact C-N 3.32Å; V883-Y885 PolarHBondContact O-N 2.92Å; Y885-L887 PolarHBondContact O-N 3.47Å; Y885-C888 PolarHBondContact O-N 3.05Å; Y885-E889 HydrophobicContact CD2-CG 4.42Å; Y885-E889 HydrophobicContact CE2-CG 3.89Å; Y885-E889 PolarHBondContact O-N 3.35Å; Y885-F918 HydrophobicContact CD2-CB 4.26Å; Y885-F918 HydrophobicContact CE2-CB 3.87Å; Y885-F918 VanDerWaalsContact CE2-O 3.27Å; Y885-F918 WeakPolarHBondContact CE2-O 3.44Å; Y885-F918 PolarHBondContact OH-O 2.79Å; Y885-D920 WeakPolarHBondContact CD2-O 3.5Å; Y885-V921 HydrophobicContact CG-CG2 4.2Å; Y885-V924 HydrophobicContact CD2-CG2 3.79Å |
| 886 | H | 93.8 | Very high | 86.4 | Confident | 15 Ų | 15 | 27 Ų | 27 | 7% | 0.069 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | -179.2 | -73.5 | -63.2 | 0 | 0 | 0 | 112.4 | H868 L871 A872 T882 V883 C888 E889 A890 | H868-H886 WeakPolarHBondContact CB-O 3.21Å; H868-H886 AromaticContact CE1-ND1 3.68Å; H868-H886 AromaticContact ND1-CG 3.9Å; H868-H886 AromaticContact ND1-ND1 3.02Å; H868-H886 PolarHBondContact ND1-ND1 2.92Å; H868-H886 WeakPolarHBondContact O-CB 3.36Å; L871-H886 HydrophobicContact CB-CB 4.43Å; L871-H886 WeakPolarHBondContact CD1-CE1 3.11Å; A872-H886 HydrophobicContact CB-CB 3.8Å; T882-H886 PolarHBondContact O-CD2 3.46Å; T882-H886 PolarHBondContact O-N 3.01Å; T882-H886 VanDerWaalsContact O-N 3.16Å; V883-H886 PolarHBondContact O-N 3Å; H886-C888 VanDerWaalsContact C-N 3.33Å; H886-C888 PolarHBondContact O-N 3.27Å; H886-E889 PolarHBondContact O-N 2.9Å; H886-A890 PolarHBondContact O-N 3.36Å |
| 887 | L | 94 | Very high | 86.7 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.3 | -39.4 | 174.8 | -71.8 | 178.7 | 0 | 0 | 0 | 112.4 | A872 V883 A884 Y885 A890 I891 Y941 V952 L954 | A872-L887 HydrophobicContact CB-CD2 3.65Å; A872-L887 HydrophobicContact CB-CG 3.73Å; V883-L887 HydrophobicContact CG1-CD1 4.2Å; V883-L887 HydrophobicContact CG1-CG 4.49Å; V883-L887 PolarHBondContact O-N 3.3Å; A884-L887 PolarHBondContact O-N 3.09Å; Y885-L887 PolarHBondContact O-N 3.47Å; L887-A890 PolarHBondContact O-N 2.85Å; L887-I891 WeakPolarHBondContact O-CD1 3.31Å; L887-I891 WeakPolarHBondContact O-CG1 3.42Å; L887-Y941 HydrophobicContact CD2-CD1 4.03Å; L887-Y941 HydrophobicContact CD2-CE1 4.34Å; L887-Y941 HydrophobicContact CD2-CG 4.13Å; L887-V952 HydrophobicContact CD1-CG1 4.22Å; L887-L954 HydrophobicContact CB-CD2 4.09Å; L887-L954 HydrophobicContact CD1-CB 4.2Å; L887-L954 HydrophobicContact CD1-CD2 4.22Å |
| 888 | C | 95.1 | Very high | 86.8 | Confident | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.2 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | A884 Y885 H886 A890 I891 L1137 H1138 | A884-C888 WeakPolarHBondContact O-CB 3.32Å; A884-C888 PolarHBondContact O-N 2.78Å; A884-C888 PolarHBondContact O-SG 2.89Å; Y885-C888 PolarHBondContact O-N 3.05Å; H886-C888 VanDerWaalsContact C-N 3.33Å; H886-C888 PolarHBondContact O-N 3.27Å; C888-A890 VanDerWaalsContact C-N 3.27Å; C888-A890 PolarHBondContact O-N 2.93Å; C888-I891 PolarHBondContact O-N 2.98Å; C888-L1137 HydrophobicContact CB-CB 4.37Å; C888-L1137 HydrophobicContact CB-CD2 4.31Å; C888-H1138 PolarHBondContact O-CE1 3.44Å |
| 889 | E | 92.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70.4 | -18.6 | 176.5 | -74.9 | -52.6 | 132.5 | 0 | 0 | 114.1 | Y864 H868 Y885 H886 I891 R896 F918 H1138 | Y864-E889 HydrophobicContact CE1-CB 4.49Å; Y864-E889 WeakPolarHBondContact CE1-O 3.37Å; Y864-E889 PolarHBondContact OH-OE2 2.75Å; H868-E889 HydrophobicContact CB-CB 4.26Å; H868-E889 WeakPolarHBondContact CE1-CB 3.39Å; H868-E889 WeakPolarHBondContact ND1-CB 3.27Å; Y885-E889 HydrophobicContact CD2-CG 4.42Å; Y885-E889 HydrophobicContact CE2-CG 3.89Å; Y885-E889 PolarHBondContact O-N 3.35Å; H886-E889 PolarHBondContact O-N 2.9Å; E889-I891 VanDerWaalsContact C-N 3.29Å; E889-I891 PolarHBondContact O-N 3.09Å; E889-R896 PolarHBondContact O-NH2 2.76Å; E889-R896 IonicContact OE1-NH1 3.32Å; E889-R896 IonicContact OE2-CZ 2.78Å; E889-R896 IonicContact OE2-NH1 3.38Å; E889-R896 PolarHBondContact OE2-NH1 2.98Å; E889-R896 IonicContact OE2-NH2 3.47Å; E889-F918 VanDerWaalsContact OE1-CB 3.28Å; E889-F918 WeakPolarHBondContact OE1-CB 3.49Å; E889-F918 VanDerWaalsContact OE1-CD2 3.28Å; E889-F918 WeakPolarHBondContact OE1-CD2 3.29Å; E889-F918 PolarHBondContact OE1-N 3.49Å; E889-H1138 IonicContact OE1-CD2 3.28Å; E889-H1138 IonicContact OE1-CE1 2.69Å; E889-H1138 PolarHBondContact OE1-CE1 3.41Å; E889-H1138 IonicContact OE1-NE2 2.81Å; E889-H1138 PolarHBondContact OE1-NE2 3.43Å; E889-H1138 IonicContact OE2-NE2 3.85Å |
| 890 | A | 87.9 | Confident | 86 | Confident | 4 Ų | 4 | 13.4 Ų | 13.4 | 3% | 0.033 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -10.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H868 H886 L887 C888 Y941 | H868-A890 HydrophobicContact CB-CB 3.96Å; H886-A890 PolarHBondContact O-N 3.36Å; L887-A890 PolarHBondContact O-N 2.85Å; C888-A890 VanDerWaalsContact C-N 3.27Å; C888-A890 PolarHBondContact O-N 2.93Å; A890-Y941 HydrophobicContact CB-CE2 3.92Å |
| 891 | I | 89.7 | Confident | 84.6 | Confident | 6 Ų | 6 | 15.2 Ų | 15.2 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -108.8 | 150.3 | -170.4 | -60.4 | 167.2 | 0 | 0 | 0 | 112 | L887 C888 E889 V893 R896 T939 Y941 I1110 P1135 | L887-I891 WeakPolarHBondContact O-CD1 3.31Å; L887-I891 WeakPolarHBondContact O-CG1 3.42Å; C888-I891 PolarHBondContact O-N 2.98Å; E889-I891 VanDerWaalsContact C-N 3.29Å; E889-I891 PolarHBondContact O-N 3.09Å; I891-V893 PolarHBondContact O-N 3.01Å; I891-R896 PolarHBondContact O-NE 2.85Å; I891-R896 VanDerWaalsContact O-NE 3.17Å; I891-R896 PolarHBondContact O-NH2 3.34Å; I891-T939 HydrophobicContact CD1-CG2 3.4Å; I891-Y941 HydrophobicContact CD1-CD2 3.76Å; I891-Y941 HydrophobicContact CD1-CE2 4.37Å; I891-Y941 HydrophobicContact CG1-CD2 3.62Å; I891-Y941 HydrophobicContact CG1-CE2 3.73Å; I891-I1110 HydrophobicContact CD1-CG2 3.95Å; I891-I1110 HydrophobicContact CG2-CG2 3.85Å; I891-P1135 VanDerWaalsContact CG2-O 3.27Å; I891-P1135 WeakPolarHBondContact CG2-O 3.41Å |
| 892 | A | 85.5 | Confident | 83.3 | Confident | 5 Ų | 5 | 15.6 Ų | 15.6 | 4% | 0.041 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 52.9 | 26.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A894 S895 R896 P1135 E1250 | A892-A894 VanDerWaalsContact C-N 3.31Å; A892-A894 PolarHBondContact O-N 3.21Å; A892-S895 PolarHBondContact O-N 3.49Å; A892-S895 VanDerWaalsContact O-N 3.17Å; A892-R896 WeakPolarHBondContact O-CB 3.49Å; A892-R896 VanDerWaalsContact O-CG 3.25Å; A892-R896 WeakPolarHBondContact O-CG 3.41Å; A892-R896 PolarHBondContact O-N 3.39Å; A892-P1135 HydrophobicContact CB-CB 4.05Å; A892-E1250 VanDerWaalsContact C-CD 3.42Å; A892-E1250 WeakPolarHBondContact CA-OE1 3.42Å; A892-E1250 WeakPolarHBondContact CA-OE2 3.27Å; A892-E1250 PolarHBondContact N-OE1 3.07Å |
| 893 | V | 78.5 | Confident | 82.1 | Confident | 11 Ų | 11 | 16.6 Ų | 16.6 | 7% | 0.067 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -54 | -43.5 | -176.7 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | L859 Y864 A865 I891 R896 H897 E1250 | L859-V893 HydrophobicContact CB-CG1 4.08Å; L859-V893 HydrophobicContact CD2-CG1 4.3Å; L859-V893 WeakPolarHBondContact O-CG1 2.91Å; Y864-V893 HydrophobicContact CD1-CG1 4.02Å; Y864-V893 HydrophobicContact CD1-CG2 3.9Å; Y864-V893 HydrophobicContact CE1-CG2 4.43Å; A865-V893 HydrophobicContact CB-CG2 3.97Å; I891-V893 PolarHBondContact O-N 3.01Å; V893-R896 PolarHBondContact O-N 3.44Å; V893-H897 WeakPolarHBondContact O-CB 3.29Å; V893-H897 PolarHBondContact O-N 2.94Å; V893-E1250 PolarHBondContact N-OE1 2.94Å; V893-E1250 PolarHBondContact N-OE2 3.46Å |
| 894 | A | 68.9 | Low | 80.5 | Confident | 21 Ų | 21 | 22.1 Ų | 22.1 | 17% | 0.174 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -73.2 | -36.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A892 H897 L898 E1250 | A892-A894 VanDerWaalsContact C-N 3.31Å; A892-A894 PolarHBondContact O-N 3.21Å; A894-H897 PolarHBondContact O-N 3.28Å; A894-L898 PolarHBondContact O-N 3.32Å; A894-E1250 HydrophobicContact CB-CB 4.1Å; A894-E1250 HydrophobicContact CB-CG 4.43Å; A894-E1250 PolarHBondContact N-OE2 2.8Å |
| 895 | S | 78.6 | Confident | 78.8 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.5 | -36.7 | 175.6 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | A892 L898 A899 | A892-S895 PolarHBondContact O-N 3.49Å; A892-S895 VanDerWaalsContact O-N 3.17Å; S895-L898 PolarHBondContact O-N 2.88Å; S895-A899 PolarHBondContact O-N 3.43Å |
| 896 | R | 83.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.4 | -37.1 | 172.4 | -68.7 | -175.5 | -64.2 | 147.1 | -16.4 | 112.1 | L859 E889 I891 A892 V893 A899 L900 F914 F916 H1138 F1139 | L859-R896 HydrophobicContact CD1-CB 4Å; E889-R896 PolarHBondContact O-NH2 2.76Å; E889-R896 IonicContact OE1-NH1 3.32Å; E889-R896 IonicContact OE2-CZ 2.78Å; E889-R896 IonicContact OE2-NH1 3.38Å; E889-R896 PolarHBondContact OE2-NH1 2.98Å; E889-R896 IonicContact OE2-NH2 3.47Å; I891-R896 PolarHBondContact O-NE 2.85Å; I891-R896 VanDerWaalsContact O-NE 3.17Å; I891-R896 PolarHBondContact O-NH2 3.34Å; A892-R896 WeakPolarHBondContact O-CB 3.49Å; A892-R896 VanDerWaalsContact O-CG 3.25Å; A892-R896 WeakPolarHBondContact O-CG 3.41Å; A892-R896 PolarHBondContact O-N 3.39Å; V893-R896 PolarHBondContact O-N 3.44Å; R896-A899 WeakPolarHBondContact O-CB 3.45Å; R896-A899 PolarHBondContact O-N 3.41Å; R896-L900 PolarHBondContact O-N 2.78Å; R896-F914 HydrophobicContact CB-CE1 4.36Å; R896-F914 HydrophobicContact CG-CE1 3.93Å; R896-F914 HydrophobicContact CG-CZ 4.1Å; R896-F916 WeakPolarHBondContact CD-O 3.01Å; R896-F916 PolarHBondContact NH1-O 3.43Å; R896-H1138 VanDerWaalsContact CD-ND1 3.34Å; R896-H1138 WeakPolarHBondContact CD-ND1 3.44Å; R896-H1138 HydrophobicContact CG-CB 4.34Å; R896-H1138 PolarHBondContact NH1-CE1 3.26Å; R896-H1138 PolarHBondContact NH1-NE2 2.72Å; R896-F1139 HydrophobicContact CG-CE2 4.39Å |
| 897 | H | 71.2 | Confident | 75 | Confident | 40 Ų | 40 | 29.3 Ų | 29.3 | 19% | 0.185 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 173 | -175.1 | 59.6 | 0 | 0 | 0 | 111.6 | L859 V893 A894 A899 L900 L901 | L859-H897 HydrophobicContact CB-CB 3.82Å; V893-H897 WeakPolarHBondContact O-CB 3.29Å; V893-H897 PolarHBondContact O-N 2.94Å; A894-H897 PolarHBondContact O-N 3.28Å; H897-A899 VanDerWaalsContact C-N 3.3Å; H897-A899 PolarHBondContact O-N 2.79Å; H897-L900 WeakPolarHBondContact O-CB 3.35Å; H897-L900 PolarHBondContact O-N 2.76Å; H897-L900 VanDerWaalsContact O-N 3.15Å; H897-L901 WeakPolarHBondContact NE2-CD1 3.4Å; H897-L901 WeakPolarHBondContact O-CG 3.37Å; H897-L901 PolarHBondContact O-N 3.2Å |
| 898 | L | 71 | Confident | 73.2 | Confident | 16 Ų | 16 | 31 Ų | 31 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.5 | -43.9 | 172.7 | 178.4 | 61.3 | 0 | 0 | 0 | 111.3 | A894 S895 L900 L901 E902 I1252 Y1257 L1260 | A894-L898 PolarHBondContact O-N 3.32Å; S895-L898 PolarHBondContact O-N 2.88Å; L898-L900 VanDerWaalsContact C-N 3.31Å; L898-L900 PolarHBondContact O-N 3.13Å; L898-L901 PolarHBondContact O-N 2.91Å; L898-E902 HydrophobicContact CD1-CG 4.47Å; L898-E902 WeakPolarHBondContact O-CB 3.22Å; L898-E902 WeakPolarHBondContact O-CG 3.29Å; L898-E902 PolarHBondContact O-N 3.09Å; L898-I1252 HydrophobicContact CD2-CD1 4.16Å; L898-Y1257 HydrophobicContact CD2-CE1 4.15Å; L898-L1260 HydrophobicContact CD2-CD1 3.99Å; L898-L1260 HydrophobicContact CG-CD1 4.24Å |
| 899 | A | 77.6 | Confident | 71.1 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S895 R896 H897 E902 H903 F914 F916 L1260 | S895-A899 PolarHBondContact O-N 3.43Å; R896-A899 WeakPolarHBondContact O-CB 3.45Å; R896-A899 PolarHBondContact O-N 3.41Å; H897-A899 VanDerWaalsContact C-N 3.3Å; H897-A899 PolarHBondContact O-N 2.79Å; A899-E902 PolarHBondContact O-N 2.99Å; A899-H903 PolarHBondContact O-N 3.25Å; A899-F914 HydrophobicContact CB-CD1 3.95Å; A899-F914 HydrophobicContact CB-CD2 4.21Å; A899-F914 HydrophobicContact CB-CE1 4.06Å; A899-F914 HydrophobicContact CB-CE2 4.3Å; A899-F914 HydrophobicContact CB-CG 4.05Å; A899-F914 HydrophobicContact CB-CZ 4.24Å; A899-F916 VanDerWaalsContact C-CE1 3.41Å; A899-F916 HydrophobicContact CB-CD1 4.12Å; A899-F916 HydrophobicContact CB-CE1 3.9Å; A899-F916 WeakPolarHBondContact O-CE1 3.45Å; A899-L1260 HydrophobicContact CB-CD2 3.57Å |
| 900 | L | 72.2 | Confident | 69.4 | Low | 16 Ų | 16 | 45.9 Ų | 45.9 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 176.7 | 176.9 | 63.4 | 0 | 0 | 0 | 111.3 | L859 R896 H897 L898 H903 L904 F916 | L859-L900 HydrophobicContact CD1-CD2 4.46Å; R896-L900 PolarHBondContact O-N 2.78Å; H897-L900 WeakPolarHBondContact O-CB 3.35Å; H897-L900 PolarHBondContact O-N 2.76Å; H897-L900 VanDerWaalsContact O-N 3.15Å; L898-L900 VanDerWaalsContact C-N 3.31Å; L898-L900 PolarHBondContact O-N 3.13Å; L900-H903 PolarHBondContact O-N 3.03Å; L900-L904 HydrophobicContact CD1-CD1 3.99Å; L900-L904 HydrophobicContact CD1-CG 4.05Å; L900-L904 HydrophobicContact CG-CD1 3.9Å; L900-L904 HydrophobicContact CG-CG 4.35Å; L900-L904 WeakPolarHBondContact O-CB 3.46Å; L900-L904 VanDerWaalsContact O-CG 3.25Å; L900-L904 WeakPolarHBondContact O-CG 3.24Å; L900-L904 PolarHBondContact O-N 2.77Å; L900-F916 HydrophobicContact CB-CD1 3.73Å; L900-F916 HydrophobicContact CB-CE1 4.03Å; L900-F916 HydrophobicContact CB-CG 4.08Å; L900-F916 HydrophobicContact CD1-CD1 4.34Å; L900-F916 HydrophobicContact CD1-CD2 3.73Å; L900-F916 HydrophobicContact CD1-CE1 4.47Å; L900-F916 HydrophobicContact CD1-CE2 3.81Å; L900-F916 HydrophobicContact CD1-CG 4Å; L900-F916 HydrophobicContact CD1-CZ 4.21Å; L900-F916 VanDerWaalsContact N-CE1 3.32Å |
| 901 | L | 61.7 | Low | 68 | Low | 82 Ų | 82 | 51.3 Ų | 51.3 | 43% | 0.429 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 177.3 | -68.7 | 179 | 0 | 0 | 0 | 112.2 | H897 L898 H903 L904 S905 | H897-L901 WeakPolarHBondContact NE2-CD1 3.4Å; H897-L901 WeakPolarHBondContact O-CG 3.37Å; H897-L901 PolarHBondContact O-N 3.2Å; L898-L901 PolarHBondContact O-N 2.91Å; L901-H903 VanDerWaalsContact C-N 3.32Å; L901-H903 PolarHBondContact O-N 2.89Å; L901-L904 PolarHBondContact O-N 3.45Å; L901-S905 WeakPolarHBondContact O-CB 3.11Å; L901-S905 PolarHBondContact O-N 2.81Å |
| 902 | E | 68.1 | Low | 66.5 | Low | 40 Ų | 40 | 54.5 Ų | 54.5 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 174.5 | -78 | -84.2 | 139.8 | 0 | 0 | 111 | L898 A899 S905 K907 Y908 | L898-E902 HydrophobicContact CD1-CG 4.47Å; L898-E902 WeakPolarHBondContact O-CB 3.22Å; L898-E902 WeakPolarHBondContact O-CG 3.29Å; L898-E902 PolarHBondContact O-N 3.09Å; A899-E902 PolarHBondContact O-N 2.99Å; E902-S905 PolarHBondContact O-N 3.27Å; E902-S905 PolarHBondContact O-OG 3.39Å; E902-K907 VanDerWaalsContact CD-NZ 3.3Å; E902-K907 IonicContact OE1-NZ 2.7Å; E902-K907 PolarHBondContact OE1-NZ 3.27Å; E902-K907 WeakPolarHBondContact OE2-CD 3.48Å; E902-K907 IonicContact OE2-NZ 3.34Å; E902-K907 PolarHBondContact OE2-NZ 3.34Å; E902-Y908 HydrophobicContact CB-CE2 4.47Å |
| 903 | H | 68.1 | Low | 66.2 | Low | 49 Ų | 49 | 57.5 Ų | 57.5 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 175.3 | 175.9 | 62.8 | 0 | 0 | 0 | 112.6 | A899 L900 L901 S905 G906 R910 P912 F916 | A899-H903 PolarHBondContact O-N 3.25Å; L900-H903 PolarHBondContact O-N 3.03Å; L901-H903 VanDerWaalsContact C-N 3.32Å; L901-H903 PolarHBondContact O-N 2.89Å; H903-S905 PolarHBondContact O-N 3.06Å; H903-G906 PolarHBondContact O-N 2.76Å; H903-R910 PolarHBondContact CE1-O 3.37Å; H903-P912 WeakPolarHBondContact NE2-CB 3.33Å; H903-F916 HydrophobicContact CB-CE1 4.31Å; H903-F916 HydrophobicContact CB-CE2 4.45Å; H903-F916 HydrophobicContact CB-CZ 3.59Å; H903-F916 AromaticContact CD2-CE2 3.84Å; H903-F916 AromaticContact CD2-CZ 3.83Å; H903-F916 AromaticContact CG-CZ 3.79Å |
| 904 | L | 60.6 | Low | 66.6 | Low | 119 Ų | 119 | 57.6 Ų | 57.6 | 62% | 0.623 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.5 | -21.5 | 179.1 | -70.6 | 175.4 | 0 | 0 | 0 | 113.4 | L900 L901 G906 | L900-L904 HydrophobicContact CD1-CD1 3.99Å; L900-L904 HydrophobicContact CD1-CG 4.05Å; L900-L904 HydrophobicContact CG-CD1 3.9Å; L900-L904 HydrophobicContact CG-CG 4.35Å; L900-L904 WeakPolarHBondContact O-CB 3.46Å; L900-L904 VanDerWaalsContact O-CG 3.25Å; L900-L904 WeakPolarHBondContact O-CG 3.24Å; L900-L904 PolarHBondContact O-N 2.77Å; L901-L904 PolarHBondContact O-N 3.45Å; L904-G906 PolarHBondContact O-N 2.78Å |
| 905 | S | 59.1 | Low | 67.6 | Low | 69 Ų | 69 | 58 Ų | 58 | 48% | 0.483 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -2.9 | 176.1 | 73.2 | 0 | 0 | 0 | 0 | 114.2 | L901 E902 H903 K907 | L901-S905 WeakPolarHBondContact O-CB 3.11Å; L901-S905 PolarHBondContact O-N 2.81Å; E902-S905 PolarHBondContact O-N 3.27Å; E902-S905 PolarHBondContact O-OG 3.39Å; H903-S905 PolarHBondContact O-N 3.06Å; S905-K907 PolarHBondContact O-N 2.97Å; S905-K907 WeakPolarHBondContact OG-CG 3.17Å |
| 906 | G | 58.1 | Low | 67.9 | Low | 34 Ų | 34 | 58.8 Ų | 58.8 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 7.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | H903 L904 Y908 | H903-G906 PolarHBondContact O-N 2.76Å; L904-G906 PolarHBondContact O-N 2.78Å; G906-Y908 PolarHBondContact O-N 3.24Å |
| 907 | K | 53.3 | Low | 68.1 | Low | 88 Ų | 88 | 60.1 Ų | 60.1 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | trans | -60.7 | -15.7 | 179.1 | -81.5 | -178.5 | -177.6 | -178.9 | 0 | 114.7 | E902 S905 | E902-K907 VanDerWaalsContact CD-NZ 3.3Å; E902-K907 IonicContact OE1-NZ 2.7Å; E902-K907 PolarHBondContact OE1-NZ 3.27Å; E902-K907 WeakPolarHBondContact OE2-CD 3.48Å; E902-K907 IonicContact OE2-NZ 3.34Å; E902-K907 PolarHBondContact OE2-NZ 3.34Å; S905-K907 PolarHBondContact O-N 2.97Å; S905-K907 WeakPolarHBondContact OG-CG 3.17Å | ||
| 908 | Y | 56.1 | Low | 69 | Low | 37 Ų | 37 | 58.8 Ų | 58.8 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -132.2 | 113.7 | -178.4 | -53.9 | -68 | 0 | 0 | 0 | 108.8 | E902 G906 R910 G1225 R1227 | E902-Y908 HydrophobicContact CB-CE2 4.47Å; G906-Y908 PolarHBondContact O-N 3.24Å; Y908-R910 PolarHBondContact O-N 3.04Å; Y908-G1225 WeakPolarHBondContact CE1-O 3.27Å; Y908-R1227 VanDerWaalsContact CD1-NH1 3.29Å; Y908-R1227 VanDerWaalsContact CD1-NH2 3.3Å; Y908-R1227 PolarHBondContact OH-NH1 2.95Å |
| 909 | D | 51.5 | Low | 69.7 | Low | 141 Ų | 141 | 63.4 Ų | 63.4 | 75% | 0.754 | 34% | 0.335 | S | S | * | . | trans | -65.7 | 21.9 | -176 | -60.5 | -20.9 | 0 | 0 | 0 | 115.2 | ||||
| 910 | R | 56.6 | Low | 70.3 | Confident | 175 Ų | 175 | 66.4 Ų | 66.4 | 66% | 0.66 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -130.7 | 157.1 | -165.9 | -63.5 | -175 | -178.6 | -169.4 | -2.7 | 112.1 | H903 Y908 E913 | H903-R910 PolarHBondContact CE1-O 3.37Å; Y908-R910 PolarHBondContact O-N 3.04Å; R910-E913 IonicContact NH1-OE1 3.16Å |
| 911 | T | 57.1 | Low | 71.4 | Confident | 118 Ų | 118 | 67 Ų | 67 | 72% | 0.724 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -46.1 | 145.9 | 165.3 | 50.2 | 0 | 0 | 0 | 0 | 110.6 | E913 | T911-E913 PolarHBondContact O-N 3.44Š|
| 912 | P | 58.9 | Low | 73 | Confident | 73 Ų | 73 | 68 Ų | 68 | 47% | 0.474 | 36% | 0.36 | S | S | . | . | trans | -61.4 | 102.2 | -177.5 | 20.5 | -29.5 | 0 | 0 | 0 | 110.8 | H903 F914 F916 | H903-P912 WeakPolarHBondContact NE2-CB 3.33Å; P912-F914 VanDerWaalsContact C-N 3.26Å; P912-F916 HydrophobicContact CB-CE2 3.54Å; P912-F916 HydrophobicContact CB-CZ 4.02Å; P912-F916 HydrophobicContact CG-CE2 4.49Å | ||
| 913 | E | 78.3 | Confident | 74.3 | Confident | 67 Ų | 67 | 67.6 Ų | 67.6 | 31% | 0.313 | 36% | 0.362 | S | S | . | . | trans | -68.9 | -29.4 | 174 | -68.8 | -179.2 | -176.7 | 0 | 0 | 111 | R910 T911 F1142 Q1262 | R910-E913 IonicContact NH1-OE1 3.16Å; T911-E913 PolarHBondContact O-N 3.44Å; E913-F1142 HydrophobicContact CB-CD2 4.35Å; E913-F1142 HydrophobicContact CB-CE2 3.71Å; E913-F1142 WeakPolarHBondContact O-CD2 3.45Å; E913-Q1262 PolarHBondContact OE2-NE2 3.3Å | ||
| 914 | F | 87.2 | Confident | 75.6 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 6% | 0.057 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -84.1 | 123.6 | -179.6 | -169.6 | -76.4 | 0 | 0 | 0 | 111.1 | R896 A899 P912 F916 H1138 F1139 F1142 L1260 | R896-F914 HydrophobicContact CB-CE1 4.36Å; R896-F914 HydrophobicContact CG-CE1 3.93Å; R896-F914 HydrophobicContact CG-CZ 4.1Å; A899-F914 HydrophobicContact CB-CD1 3.95Å; A899-F914 HydrophobicContact CB-CD2 4.21Å; A899-F914 HydrophobicContact CB-CE1 4.06Å; A899-F914 HydrophobicContact CB-CE2 4.3Å; A899-F914 HydrophobicContact CB-CG 4.05Å; A899-F914 HydrophobicContact CB-CZ 4.24Å; P912-F914 VanDerWaalsContact C-N 3.26Å; F914-F916 HydrophobicContact CB-CD1 4.44Å; F914-F916 HydrophobicContact CB-CE1 3.87Å; F914-F916 HydrophobicContact CB-CZ 4.28Å; F914-F916 AromaticContact CD1-CD1 3.46Å; F914-F916 HydrophobicContact CD1-CD1 3.46Å; F914-F916 VanDerWaalsContact CD1-CD1 3.46Å; F914-F916 AromaticContact CD1-CE1 3.73Å; F914-F916 HydrophobicContact CD1-CE1 3.73Å; F914-F916 HydrophobicContact CD1-CG 4.26Å; F914-F916 HydrophobicContact CE1-CD1 4.17Å; F914-F916 HydrophobicContact CG-CD1 4.31Å; F914-F916 HydrophobicContact CG-CE1 4.11Å; F914-F916 PolarHBondContact O-N 3.42Å; F914-H1138 HydrophobicContact CE1-CB 4.1Å; F914-H1138 HydrophobicContact CZ-CB 4.11Å; F914-F1139 AromaticContact CE2-CD1 3.91Å; F914-F1139 HydrophobicContact CE2-CD1 3.91Å; F914-F1139 HydrophobicContact CE2-CD2 4.07Å; F914-F1139 AromaticContact CE2-CE1 3.94Å; F914-F1139 HydrophobicContact CE2-CE1 3.94Å; F914-F1139 HydrophobicContact CE2-CE2 4.07Å; F914-F1139 AromaticContact CE2-CG 3.99Å; F914-F1139 HydrophobicContact CE2-CG 3.99Å; F914-F1139 HydrophobicContact CE2-CZ 4.01Å; F914-F1139 HydrophobicContact CZ-CD1 4.42Å; F914-F1139 AromaticContact CZ-CD2 3.74Å; F914-F1139 HydrophobicContact CZ-CD2 3.74Å; F914-F1139 HydrophobicContact CZ-CE1 4.4Å; F914-F1139 AromaticContact CZ-CE2 3.69Å; F914-F1139 HydrophobicContact CZ-CE2 3.69Å; F914-F1139 HydrophobicContact CZ-CG 4.12Å; F914-F1139 HydrophobicContact CZ-CZ 4.04Å; F914-F1142 HydrophobicContact CB-CD2 3.88Å; F914-F1142 HydrophobicContact CB-CE2 3.87Å; F914-F1142 HydrophobicContact CB-CG 4.34Å; F914-F1142 HydrophobicContact CB-CZ 4.31Å; F914-F1142 HydrophobicContact CD2-CB 3.85Å; F914-F1142 AromaticContact CD2-CD1 3.48Å; F914-F1142 HydrophobicContact CD2-CD1 3.48Å; F914-F1142 VanDerWaalsContact CD2-CD1 3.48Å; F914-F1142 AromaticContact CD2-CD2 3.94Å; F914-F1142 HydrophobicContact CD2-CD2 3.94Å; F914-F1142 AromaticContact CD2-CE1 3.83Å; F914-F1142 HydrophobicContact CD2-CE1 3.83Å; F914-F1142 HydrophobicContact CD2-CE2 4.27Å; F914-F1142 AromaticContact CD2-CG 3.5Å; F914-F1142 HydrophobicContact CD2-CG 3.5Å; F914-F1142 VanDerWaalsContact CD2-CG 3.5Å; F914-F1142 HydrophobicContact CD2-CZ 4.2Å; F914-F1142 HydrophobicContact CE2-CB 4.14Å; F914-F1142 AromaticContact CE2-CD1 3.98Å; F914-F1142 HydrophobicContact CE2-CD1 3.98Å; F914-F1142 HydrophobicContact CE2-CG 4.15Å; F914-F1142 HydrophobicContact CG-CD2 4.29Å; F914-F1142 HydrophobicContact CG-CG 4.25Å; F914-L1260 HydrophobicContact CE2-CD2 4.28Å |
| 915 | P | 90.3 | Very high | 77.3 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 20% | 0.201 | 34% | 0.337 | C | S | . | . | trans | -77.6 | 95 | 175.7 | 30 | -29.7 | 0 | 0 | 0 | 110 | I917 F918 H1138 A1141 | P915-I917 VanDerWaalsContact C-N 3.25Å; P915-I917 PolarHBondContact O-N 3.03Å; P915-F918 HydrophobicContact CB-CE1 4.45Å; P915-H1138 HydrophobicContact CG-CB 4.33Å; P915-H1138 WeakPolarHBondContact O-CB 3.4Å; P915-H1138 PolarHBondContact O-CD2 3.47Å; P915-A1141 HydrophobicContact CG-CB 3.78Å | ||
| 916 | F | 85.2 | Confident | 79 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 9% | 0.088 | 33% | 0.331 | C | S | . | . | trans | -64.1 | -32.9 | -178.3 | -50.4 | -64.8 | 0 | 0 | 0 | 112.9 | L859 R896 A899 L900 H903 P912 F914 | L859-F916 HydrophobicContact CD1-CB 4.29Å; R896-F916 WeakPolarHBondContact CD-O 3.01Å; R896-F916 PolarHBondContact NH1-O 3.43Å; A899-F916 VanDerWaalsContact C-CE1 3.41Å; A899-F916 HydrophobicContact CB-CD1 4.12Å; A899-F916 HydrophobicContact CB-CE1 3.9Å; A899-F916 WeakPolarHBondContact O-CE1 3.45Å; L900-F916 HydrophobicContact CB-CD1 3.73Å; L900-F916 HydrophobicContact CB-CE1 4.03Å; L900-F916 HydrophobicContact CB-CG 4.08Å; L900-F916 HydrophobicContact CD1-CD1 4.34Å; L900-F916 HydrophobicContact CD1-CD2 3.73Å; L900-F916 HydrophobicContact CD1-CE1 4.47Å; L900-F916 HydrophobicContact CD1-CE2 3.81Å; L900-F916 HydrophobicContact CD1-CG 4Å; L900-F916 HydrophobicContact CD1-CZ 4.21Å; L900-F916 VanDerWaalsContact N-CE1 3.32Å; H903-F916 HydrophobicContact CB-CE1 4.31Å; H903-F916 HydrophobicContact CB-CE2 4.45Å; H903-F916 HydrophobicContact CB-CZ 3.59Å; H903-F916 AromaticContact CD2-CE2 3.84Å; H903-F916 AromaticContact CD2-CZ 3.83Å; H903-F916 AromaticContact CG-CZ 3.79Å; P912-F916 HydrophobicContact CB-CE2 3.54Å; P912-F916 HydrophobicContact CB-CZ 4.02Å; P912-F916 HydrophobicContact CG-CE2 4.49Å; F914-F916 HydrophobicContact CB-CD1 4.44Å; F914-F916 HydrophobicContact CB-CE1 3.87Å; F914-F916 HydrophobicContact CB-CZ 4.28Å; F914-F916 AromaticContact CD1-CD1 3.46Å; F914-F916 HydrophobicContact CD1-CD1 3.46Å; F914-F916 VanDerWaalsContact CD1-CD1 3.46Å; F914-F916 AromaticContact CD1-CE1 3.73Å; F914-F916 HydrophobicContact CD1-CE1 3.73Å; F914-F916 HydrophobicContact CD1-CG 4.26Å; F914-F916 HydrophobicContact CE1-CD1 4.17Å; F914-F916 HydrophobicContact CG-CD1 4.31Å; F914-F916 HydrophobicContact CG-CE1 4.11Å; F914-F916 PolarHBondContact O-N 3.42Å | ||
| 917 | I | 87.6 | Confident | 80.7 | Confident | 27 Ų | 27 | 60.8 Ų | 60.8 | 14% | 0.138 | 32% | 0.315 | C | S | . | . | trans | -141.5 | 151.4 | 177.9 | 56.1 | 172.3 | 0 | 0 | 0 | 109.7 | A856 L857 L859 P915 | A856-I917 HydrophobicContact CB-CD1 3.53Å; A856-I917 WeakPolarHBondContact O-CG2 3.47Å; L857-I917 HydrophobicContact CD2-CD1 4Å; L857-I917 HydrophobicContact CD2-CG1 4.4Å; L859-I917 HydrophobicContact CD2-CG2 3.85Å; P915-I917 VanDerWaalsContact C-N 3.25Å; P915-I917 PolarHBondContact O-N 3.03Å | ||
| 918 | F | 91.5 | Very high | 82.8 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 5% | 0.053 | 30% | 0.297 | C | S | . | . | trans | -91.5 | 128.3 | 160.3 | -63.8 | -59.6 | 0 | 0 | 0 | 108.8 | Y885 E889 P915 D920 V924 C927 L1137 H1138 A1141 | Y885-F918 HydrophobicContact CD2-CB 4.26Å; Y885-F918 HydrophobicContact CE2-CB 3.87Å; Y885-F918 VanDerWaalsContact CE2-O 3.27Å; Y885-F918 WeakPolarHBondContact CE2-O 3.44Å; Y885-F918 PolarHBondContact OH-O 2.79Å; E889-F918 VanDerWaalsContact OE1-CB 3.28Å; E889-F918 WeakPolarHBondContact OE1-CB 3.49Å; E889-F918 VanDerWaalsContact OE1-CD2 3.28Å; E889-F918 WeakPolarHBondContact OE1-CD2 3.29Å; E889-F918 PolarHBondContact OE1-N 3.49Å; P915-F918 HydrophobicContact CB-CE1 4.45Å; F918-D920 VanDerWaalsContact C-N 3.32Å; F918-V924 HydrophobicContact CB-CG2 3.89Å; F918-V924 HydrophobicContact CD1-CG2 4.39Å; F918-V924 HydrophobicContact CD2-CG2 3.55Å; F918-V924 HydrophobicContact CE2-CG2 4.15Å; F918-V924 HydrophobicContact CG-CG2 3.68Å; F918-C927 HydrophobicContact CE1-CB 4.24Å; F918-C927 HydrophobicContact CZ-CB 4.28Å; F918-L1137 HydrophobicContact CE2-CB 4.1Å; F918-L1137 HydrophobicContact CE2-CD2 3.84Å; F918-L1137 HydrophobicContact CE2-CG 3.98Å; F918-L1137 HydrophobicContact CZ-CD2 4.16Å; F918-L1137 HydrophobicContact CZ-CG 4.07Å; F918-H1138 AromaticContact CD2-CD2 3.68Å; F918-H1138 AromaticContact CD2-CE1 3.82Å; F918-H1138 AromaticContact CD2-NE2 3.25Å; F918-H1138 VanDerWaalsContact CD2-NE2 3.25Å; F918-H1138 WeakPolarHBondContact CD2-NE2 3.24Å; F918-H1138 AromaticContact CE2-CD2 3.5Å; F918-H1138 AromaticContact CE2-CE1 3.75Å; F918-H1138 AromaticContact CE2-CG 3.84Å; F918-H1138 AromaticContact CE2-NE2 3.45Å; F918-H1138 WeakPolarHBondContact CE2-NE2 3.28Å; F918-H1138 AromaticContact CZ-CD2 3.99Å; F918-A1141 HydrophobicContact CZ-CB 4.27Å | ||
| 919 | N | 85.6 | Confident | 84.6 | Confident | 113 Ų | 113 | 58.8 Ų | 58.8 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | trans | -75.3 | -26.4 | -175.9 | -65.6 | -41 | 0 | 0 | 0 | 112.5 | ||||
| 920 | D | 89.9 | Confident | 86.6 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -160.9 | 176.1 | -173.3 | 50.7 | 36.4 | 0 | 0 | 0 | 111.1 | Y885 F918 D922 S923 | Y885-D920 WeakPolarHBondContact CD2-O 3.5Å; F918-D920 VanDerWaalsContact C-N 3.32Å; D920-D922 VanDerWaalsContact C-N 3.26Å; D920-D922 PolarHBondContact O-N 3.35Å; D920-D922 PolarHBondContact OD1-N 2.9Å; D920-S923 WeakPolarHBondContact O-CB 3.43Å; D920-S923 PolarHBondContact O-N 3.05Å; D920-S923 WeakPolarHBondContact OD1-CB 3.49Å; D920-S923 PolarHBondContact OD1-N 3.41Å; D920-S923 PolarHBondContact OD1-OG 3.03Å |
| 921 | V | 94.5 | Very high | 88.4 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 16% | 0.164 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.4 | -36 | 175.5 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | W881 T882 Y885 S923 V924 K925 | W881-V921 HydrophobicContact CB-CG1 3.52Å; W881-V921 HydrophobicContact CG-CG1 4.4Å; T882-V921 HydrophobicContact CG2-CG2 4.45Å; Y885-V921 HydrophobicContact CG-CG2 4.2Å; V921-S923 VanDerWaalsContact C-N 3.3Å; V921-S923 PolarHBondContact O-N 2.86Å; V921-V924 PolarHBondContact O-N 3.04Å; V921-V924 VanDerWaalsContact O-N 3.17Å; V921-K925 HydrophobicContact CG1-CD 4.26Å; V921-K925 HydrophobicContact CG1-CG 4.42Å; V921-K925 PolarHBondContact O-N 3.43Å |
| 922 | D | 96.3 | Very high | 90.2 | Very high | 103 Ų | 103 | 47.3 Ų | 47.3 | 55% | 0.551 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -68.5 | -31 | -178.3 | -66.9 | -33 | 0 | 0 | 0 | 112.1 | D920 V924 K925 S926 | D920-D922 VanDerWaalsContact C-N 3.26Å; D920-D922 PolarHBondContact O-N 3.35Å; D920-D922 PolarHBondContact OD1-N 2.9Å; D922-V924 VanDerWaalsContact C-N 3.32Å; D922-V924 PolarHBondContact O-N 3.05Å; D922-K925 PolarHBondContact O-N 3.27Å; D922-S926 WeakPolarHBondContact O-CB 3.11Å; D922-S926 PolarHBondContact O-N 2.92Å |
| 923 | S | 93.8 | Very high | 91.7 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 172.1 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | D920 V921 C927 | D920-S923 WeakPolarHBondContact O-CB 3.43Å; D920-S923 PolarHBondContact O-N 3.05Å; D920-S923 WeakPolarHBondContact OD1-CB 3.49Å; D920-S923 PolarHBondContact OD1-N 3.41Å; D920-S923 PolarHBondContact OD1-OG 3.03Å; V921-S923 VanDerWaalsContact C-N 3.3Å; V921-S923 PolarHBondContact O-N 2.86Å; S923-C927 PolarHBondContact O-N 2.98Å |
| 924 | V | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.8 | -45 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | W881 Y885 F918 V921 D922 S926 C927 V928 L1137 | W881-V924 HydrophobicContact CE3-CG1 4.37Å; W881-V924 HydrophobicContact CZ3-CG1 4.18Å; Y885-V924 HydrophobicContact CD2-CG2 3.79Å; F918-V924 HydrophobicContact CB-CG2 3.89Å; F918-V924 HydrophobicContact CD1-CG2 4.39Å; F918-V924 HydrophobicContact CD2-CG2 3.55Å; F918-V924 HydrophobicContact CE2-CG2 4.15Å; F918-V924 HydrophobicContact CG-CG2 3.68Å; V921-V924 PolarHBondContact O-N 3.04Å; V921-V924 VanDerWaalsContact O-N 3.17Å; D922-V924 VanDerWaalsContact C-N 3.32Å; D922-V924 PolarHBondContact O-N 3.05Å; V924-S926 VanDerWaalsContact C-N 3.32Å; V924-S926 PolarHBondContact O-N 3.26Å; V924-C927 WeakPolarHBondContact O-CB 3.09Å; V924-C927 PolarHBondContact O-N 3.44Å; V924-C927 VanDerWaalsContact O-N 3.16Å; V924-V928 HydrophobicContact CG1-CG2 4.43Å; V924-V928 WeakPolarHBondContact O-CG2 2.92Å; V924-V928 PolarHBondContact O-N 3.45Å; V924-L1137 HydrophobicContact CG1-CD2 3.79Å; V924-L1137 HydrophobicContact CG2-CD2 4.43Å |
| 925 | K | 96.7 | Very high | 92.8 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 33% | 0.33 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.1 | -45 | 174.3 | -74 | 176 | 177.1 | 172.6 | 0 | 112 | W881 V921 D922 C927 V928 S929 | W881-K925 VanDerWaalsContact CD1-CE 3.46Å; W881-K925 HydrophobicContact CD2-CD 4.14Å; W881-K925 VanDerWaalsContact CD2-CE 3.49Å; W881-K925 HydrophobicContact CD2-CG 3.54Å; W881-K925 HydrophobicContact CE3-CB 4.49Å; W881-K925 HydrophobicContact CE3-CD 4.45Å; W881-K925 HydrophobicContact CE3-CG 3.42Å; W881-K925 VanDerWaalsContact CE3-CG 3.42Å; W881-K925 HydrophobicContact CG-CD 4.41Å; W881-K925 HydrophobicContact CG-CG 4.26Å; W881-K925 HydrophobicContact CH2-CB 4.36Å; W881-K925 HydrophobicContact CH2-CG 3.81Å; W881-K925 HydrophobicContact CZ2-CG 3.91Å; W881-K925 HydrophobicContact CZ3-CB 4.23Å; W881-K925 HydrophobicContact CZ3-CG 3.56Å; V921-K925 HydrophobicContact CG1-CD 4.26Å; V921-K925 HydrophobicContact CG1-CG 4.42Å; V921-K925 PolarHBondContact O-N 3.43Å; D922-K925 PolarHBondContact O-N 3.27Å; K925-C927 VanDerWaalsContact C-N 3.33Å; K925-C927 PolarHBondContact O-N 3.47Å; K925-V928 PolarHBondContact O-N 3.43Å; K925-S929 WeakPolarHBondContact O-CB 3.32Å; K925-S929 PolarHBondContact O-N 3.24Å; K925-S929 PolarHBondContact O-OG 3.24Å |
| 926 | S | 94.5 | Very high | 93.2 | Very high | 51 Ų | 51 | 49.2 Ų | 49.2 | 36% | 0.357 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | D922 V924 S929 R930 | D922-S926 WeakPolarHBondContact O-CB 3.11Å; D922-S926 PolarHBondContact O-N 2.92Å; V924-S926 VanDerWaalsContact C-N 3.32Å; V924-S926 PolarHBondContact O-N 3.26Å; S926-S929 PolarHBondContact O-OG 3.21Å; S926-S929 VanDerWaalsContact O-OG 3.1Å; S926-R930 WeakPolarHBondContact O-CG 3.28Å; S926-R930 PolarHBondContact O-N 3.21Å; S926-R930 PolarHBondContact O-NH1 3.06Å; S926-R930 PolarHBondContact OG-NH1 3.24Å |
| 927 | C | 94.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.5 | -47.1 | 173 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | F918 S923 V924 K925 R930 A1141 | F918-C927 HydrophobicContact CE1-CB 4.24Å; F918-C927 HydrophobicContact CZ-CB 4.28Å; S923-C927 PolarHBondContact O-N 2.98Å; V924-C927 WeakPolarHBondContact O-CB 3.09Å; V924-C927 PolarHBondContact O-N 3.44Å; V924-C927 VanDerWaalsContact O-N 3.16Å; K925-C927 VanDerWaalsContact C-N 3.33Å; K925-C927 PolarHBondContact O-N 3.47Å; C927-R930 PolarHBondContact O-N 3.33Å; C927-A1141 WeakPolarHBondContact SG-CB 3.49Å |
| 928 | V | 96.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.7 | -35.7 | -176.9 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | W881 V924 K925 R930 L931 M956 S957 S958 L1137 | W881-V928 HydrophobicContact CH2-CB 4.05Å; W881-V928 HydrophobicContact CH2-CG1 4.01Å; W881-V928 HydrophobicContact CH2-CG2 4.4Å; W881-V928 HydrophobicContact CZ3-CB 4.28Å; W881-V928 HydrophobicContact CZ3-CG2 4.19Å; V924-V928 HydrophobicContact CG1-CG2 4.43Å; V924-V928 WeakPolarHBondContact O-CG2 2.92Å; V924-V928 PolarHBondContact O-N 3.45Å; K925-V928 PolarHBondContact O-N 3.43Å; V928-R930 VanDerWaalsContact C-N 3.26Å; V928-R930 PolarHBondContact O-N 3.18Å; V928-L931 HydrophobicContact CG1-CD1 4.32Å; V928-L931 VanDerWaalsContact O-CB 3.31Å; V928-L931 WeakPolarHBondContact O-CB 3.5Å; V928-L931 WeakPolarHBondContact O-CG 3.47Å; V928-L931 PolarHBondContact O-N 2.83Å; V928-L931 VanDerWaalsContact O-N 3.14Å; V928-M956 HydrophobicContact CG2-CB 4.45Å; V928-M956 HydrophobicContact CG2-SD 4.24Å; V928-S957 VanDerWaalsContact CG1-C 3.46Å; V928-S957 WeakPolarHBondContact CG1-O 3.34Å; V928-S958 WeakPolarHBondContact O-CB 3.34Å; V928-L1137 HydrophobicContact CG2-CD2 4.46Å |
| 929 | S | 95.1 | Very high | 94.6 | Very high | 81 Ų | 81 | 46.4 Ų | 46.4 | 57% | 0.566 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -68.9 | -22.2 | 178.4 | 68.2 | 0 | 0 | 0 | 0 | 113.8 | K925 S926 L931 | K925-S929 WeakPolarHBondContact O-CB 3.32Å; K925-S929 PolarHBondContact O-N 3.24Å; K925-S929 PolarHBondContact O-OG 3.24Å; S926-S929 PolarHBondContact O-OG 3.21Å; S926-S929 VanDerWaalsContact O-OG 3.1Å; S929-L931 VanDerWaalsContact C-N 3.31Å |
| 930 | R | 93.5 | Very high | 95.2 | Very high | 111 Ų | 111 | 41 Ų | 41 | 42% | 0.419 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -9.4 | 172.9 | -72.1 | -165.7 | -65.9 | -89.1 | -0.8 | 113.8 | S926 C927 V928 V1144 N1145 | S926-R930 WeakPolarHBondContact O-CG 3.28Å; S926-R930 PolarHBondContact O-N 3.21Å; S926-R930 PolarHBondContact O-NH1 3.06Å; S926-R930 PolarHBondContact OG-NH1 3.24Å; C927-R930 PolarHBondContact O-N 3.33Å; V928-R930 VanDerWaalsContact C-N 3.26Å; V928-R930 PolarHBondContact O-N 3.18Å; R930-V1144 HydrophobicContact CB-CG1 4.25Å; R930-N1145 PolarHBondContact NE-OD1 3Å; R930-N1145 VanDerWaalsContact NE-OD1 3.09Å; R930-N1145 PolarHBondContact NH2-OD1 2.81Å |
| 931 | L | 94.7 | Very high | 95.3 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -70.3 | 141.7 | 177.1 | -58.6 | 177.9 | 0 | 0 | 0 | 110.7 | V928 S929 K933 V937 S958 L1140 V1144 | V928-L931 HydrophobicContact CG1-CD1 4.32Å; V928-L931 VanDerWaalsContact O-CB 3.31Å; V928-L931 WeakPolarHBondContact O-CB 3.5Å; V928-L931 WeakPolarHBondContact O-CG 3.47Å; V928-L931 PolarHBondContact O-N 2.83Å; V928-L931 VanDerWaalsContact O-N 3.14Å; S929-L931 VanDerWaalsContact C-N 3.31Å; L931-K933 PolarHBondContact O-N 2.94Å; L931-V937 HydrophobicContact CD1-CG2 3.64Å; L931-S958 PolarHBondContact O-OG 2.82Å; L931-L1140 HydrophobicContact CD1-CD2 4.48Å; L931-L1140 HydrophobicContact CD2-CD2 3.78Å; L931-L1140 HydrophobicContact CD2-CG 4.07Å; L931-V1144 HydrophobicContact CD2-CG2 4.06Å |
| 932 | E | 93.7 | Very high | 95 | Very high | 74 Ų | 74 | 37.5 Ų | 37.5 | 35% | 0.346 | 19% | 0.189 | S | C | . | . | trans | -50.2 | 137.5 | 171.5 | -71 | -66.2 | 170.7 | 0 | 0 | 111 | N934 W935 I1150 | E932-N934 PolarHBondContact O-N 2.77Å; E932-W935 HydrophobicContact CB-CB 4.49Å; E932-W935 HydrophobicContact CB-CD2 3.75Å; E932-W935 HydrophobicContact CB-CE3 4.3Å; E932-W935 HydrophobicContact CB-CG 3.83Å; E932-W935 HydrophobicContact CB-CZ2 4.36Å; E932-W935 HydrophobicContact CG-CD2 4.18Å; E932-W935 HydrophobicContact CG-CH2 4.27Å; E932-W935 HydrophobicContact CG-CZ2 3.91Å; E932-W935 PolarHBondContact O-N 3.35Å; E932-I1150 HydrophobicContact CG-CG1 4.25Å | ||
| 933 | K | 91.7 | Very high | 94.4 | Very high | 166 Ų | 166 | 33 Ų | 33 | 72% | 0.722 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -29.5 | -170.4 | -78.4 | -172.9 | 178.6 | -179.3 | 0 | 113.4 | L931 R959 | L931-K933 PolarHBondContact O-N 2.94Å; K933-R959 WeakPolarHBondContact O-CD 3.46Å; K933-R959 WeakPolarHBondContact O-CG 3.47Å; K933-R959 PolarHBondContact O-NH1 3.36Å |
| 934 | N | 92.2 | Very high | 93.2 | Very high | 49 Ų | 49 | 33 Ų | 33 | 26% | 0.262 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -12.7 | -179.4 | 64.9 | -22.6 | 0 | 0 | 0 | 114.1 | E932 E1105 | E932-N934 PolarHBondContact O-N 2.77Å; N934-E1105 HydrophobicContact CB-CG 4.26Å; N934-E1105 WeakPolarHBondContact CB-OE2 3.42Å; N934-E1105 PolarHBondContact ND2-OE2 2.94Å; N934-E1105 WeakPolarHBondContact O-CB 3.48Å |
| 935 | W | 95.8 | Very high | 91.6 | Very high | 10 Ų | 10 | 37 Ų | 37 | 4% | 0.038 | 19% | 0.189 | C | C | . | . | trans | -74.3 | 147.1 | 179.6 | -66.8 | 4.8 | 0 | 0 | 0 | 111.3 | E932 R959 P1106 I1108 V1144 I1150 L1343 P1344 | E932-W935 HydrophobicContact CB-CB 4.49Å; E932-W935 HydrophobicContact CB-CD2 3.75Å; E932-W935 HydrophobicContact CB-CE3 4.3Å; E932-W935 HydrophobicContact CB-CG 3.83Å; E932-W935 HydrophobicContact CB-CZ2 4.36Å; E932-W935 HydrophobicContact CG-CD2 4.18Å; E932-W935 HydrophobicContact CG-CH2 4.27Å; E932-W935 HydrophobicContact CG-CZ2 3.91Å; E932-W935 PolarHBondContact O-N 3.35Å; W935-R959 PolarHBondContact O-NH1 2.94Å; W935-P1106 HydrophobicContact CG-CB 4.44Å; W935-I1108 HydrophobicContact CD2-CD1 4.06Å; W935-I1108 HydrophobicContact CE3-CD1 3.57Å; W935-I1108 HydrophobicContact CZ3-CD1 4.12Å; W935-V1144 HydrophobicContact CZ3-CG2 4.21Å; W935-I1150 HydrophobicContact CZ2-CG1 4.23Å; W935-L1343 HydrophobicContact CH2-CB 4.27Å; W935-L1343 HydrophobicContact CH2-CD2 4.08Å; W935-L1343 HydrophobicContact CZ3-CD2 3.92Å; W935-P1344 HydrophobicContact CD2-CG 4.12Å; W935-P1344 HydrophobicContact CH2-CG 4.37Å; W935-P1344 HydrophobicContact CZ2-CB 3.94Å; W935-P1344 HydrophobicContact CZ2-CG 3.73Å | ||
| 936 | T | 97.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 127.1 | 171.3 | -53.3 | 0 | 0 | 0 | 0 | 109.4 | V938 R955 R959 H1031 P1106 I1107 I1108 | T936-V938 HydrophobicContact CG2-CG2 4.2Å; T936-R955 HydrophobicContact CG2-CG 3.74Å; T936-R959 PolarHBondContact OG1-NH2 3.27Å; T936-H1031 WeakPolarHBondContact OG1-CB 3.17Å; T936-P1106 PolarHBondContact N-O 2.98Å; T936-I1107 HydrophobicContact CG2-CD1 4.31Å; T936-I1107 WeakPolarHBondContact O-CA 3.43Å; T936-I1108 PolarHBondContact O-N 2.87Å |
| 937 | V | 98.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.1 | 175 | -178 | 0 | 0 | 0 | 0 | 108 | L931 R955 M956 I1108 I1110 L1140 | L931-V937 HydrophobicContact CD1-CG2 3.64Å; V937-R955 WeakPolarHBondContact O-CA 3.16Å; V937-M956 HydrophobicContact CB-CB 4.42Å; V937-M956 HydrophobicContact CB-CE 4.4Å; V937-M956 HydrophobicContact CG1-CE 4.01Å; V937-M956 PolarHBondContact N-O 3.48Å; V937-M956 PolarHBondContact O-N 2.84Å; V937-I1108 WeakPolarHBondContact CA-O 3.35Å; V937-I1108 HydrophobicContact CG2-CB 4.37Å; V937-I1110 HydrophobicContact CG1-CD1 3.63Å; V937-I1110 HydrophobicContact CG1-CG1 4.21Å; V937-L1140 HydrophobicContact CG2-CD2 3.55Å |
| 938 | V | 98.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 112.3 | 176.1 | -179 | 0 | 0 | 0 | 0 | 108.6 | T936 L940 L953 R955 L1029 I1107 I1108 F1109 I1110 | T936-V938 HydrophobicContact CG2-CG2 4.2Å; V938-L940 HydrophobicContact CG1-CD2 4.49Å; V938-L953 HydrophobicContact CG1-CD1 4.33Å; V938-L953 HydrophobicContact CG1-CG 4.17Å; V938-R955 HydrophobicContact CG2-CG 4.46Å; V938-L1029 HydrophobicContact CG1-CD2 4.13Å; V938-I1107 HydrophobicContact CB-CG2 4.29Å; V938-I1107 HydrophobicContact CG2-CG2 4Å; V938-I1108 PolarHBondContact N-O 3.17Å; V938-F1109 HydrophobicContact CB-CD1 3.87Å; V938-F1109 HydrophobicContact CB-CE1 3.75Å; V938-F1109 HydrophobicContact CG1-CD1 4.03Å; V938-F1109 HydrophobicContact CG1-CE1 3.67Å; V938-F1109 VanDerWaalsContact O-CA 3.29Å; V938-F1109 WeakPolarHBondContact O-CA 3.47Å; V938-F1109 WeakPolarHBondContact O-CD1 3.26Å; V938-I1110 PolarHBondContact O-N 3.09Å |
| 939 | T | 98 | Very high | 85.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 123.2 | 174.9 | -59.1 | 0 | 0 | 0 | 0 | 109.3 | I891 L953 L954 I1110 | I891-T939 HydrophobicContact CD1-CG2 3.4Å; T939-L953 WeakPolarHBondContact O-CA 3.41Å; T939-L954 PolarHBondContact N-O 2.92Å; T939-L954 PolarHBondContact O-N 3.49Å; T939-I1110 CarbonylContact C-O 3.37Å; T939-I1110 WeakPolarHBondContact CA-O 3.11Å; T939-I1110 HydrophobicContact CG2-CB 4.2Å; T939-I1110 HydrophobicContact CG2-CG2 4.05Å |
| 940 | L | 96.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 115.8 | 167.9 | -63.5 | 178.2 | 0 | 0 | 0 | 108.3 | V938 L951 L953 F1022 L1029 F1109 I1110 L1111 S1112 L1115 I1120 | V938-L940 HydrophobicContact CG1-CD2 4.49Å; L940-L951 HydrophobicContact CB-CD1 4.38Å; L940-L953 HydrophobicContact CD2-CB 4.02Å; L940-L953 HydrophobicContact CD2-CD1 3.96Å; L940-L953 HydrophobicContact CD2-CG 3.96Å; L940-F1022 HydrophobicContact CD1-CE1 4.2Å; L940-F1022 HydrophobicContact CD1-CZ 3.97Å; L940-F1022 HydrophobicContact CD2-CE1 4.29Å; L940-L1029 HydrophobicContact CD2-CD2 4.19Å; L940-F1109 HydrophobicContact CD1-CE1 4.47Å; L940-I1110 PolarHBondContact N-O 3.06Å; L940-L1111 HydrophobicContact CB-CD2 3.87Å; L940-L1111 HydrophobicContact CD1-CD2 3.89Å; L940-L1111 HydrophobicContact CG-CD2 4.14Å; L940-S1112 PolarHBondContact O-N 3.29Å; L940-L1115 HydrophobicContact CB-CD1 3.96Å; L940-I1120 HydrophobicContact CD1-CD1 3.46Å; L940-I1120 VanDerWaalsContact CD1-CD1 3.46Å |
| 941 | Y | 92.5 | Very high | 84.8 | Confident | 14 Ų | 14 | 41 Ų | 41 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 111 | -175.2 | -170.5 | -87.9 | 0 | 0 | 0 | 110.1 | E869 L887 A890 I891 T943 V952 | E869-Y941 HydrophobicContact CB-CE1 4.49Å; E869-Y941 HydrophobicContact CG-CE1 3.96Å; E869-Y941 WeakPolarHBondContact OE2-CE1 3.39Å; E869-Y941 PolarHBondContact OE2-OH 3.5Å; L887-Y941 HydrophobicContact CD2-CD1 4.03Å; L887-Y941 HydrophobicContact CD2-CE1 4.34Å; L887-Y941 HydrophobicContact CD2-CG 4.13Å; A890-Y941 HydrophobicContact CB-CE2 3.92Å; I891-Y941 HydrophobicContact CD1-CD2 3.76Å; I891-Y941 HydrophobicContact CD1-CE2 4.37Å; I891-Y941 HydrophobicContact CG1-CD2 3.62Å; I891-Y941 HydrophobicContact CG1-CE2 3.73Å; Y941-T943 HydrophobicContact CD1-CG2 4.36Å; Y941-T943 HydrophobicContact CE1-CG2 4.45Å; Y941-V952 PolarHBondContact N-O 2.98Å; Y941-V952 PolarHBondContact O-N 3.15Å |
| 942 | L | 89.4 | Confident | 84.7 | Confident | 9 Ų | 9 | 40.9 Ų | 40.9 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 117.6 | 169.2 | -169 | 69.5 | 0 | 0 | 0 | 109 | P949 D950 A970 F971 S1112 D1114 L1115 | L942-P949 HydrophobicContact CD1-CB 3.83Å; L942-P949 HydrophobicContact CD1-CG 4.22Å; L942-P949 HydrophobicContact CD2-CB 4.41Å; L942-P949 HydrophobicContact CG-CB 3.9Å; L942-P949 HydrophobicContact CG-CG 4.48Å; L942-D950 WeakPolarHBondContact CA-O 3.23Å; L942-A970 HydrophobicContact CD1-CB 3.76Å; L942-F971 HydrophobicContact CD2-CE2 3.83Å; L942-F971 HydrophobicContact CD2-CZ 3.59Å; L942-S1112 PolarHBondContact N-OG 3.25Å; L942-D1114 HydrophobicContact CD2-CB 4.08Å; L942-L1115 HydrophobicContact CB-CD1 4.11Å; L942-L1115 HydrophobicContact CB-CD2 4.24Å; L942-L1115 HydrophobicContact CB-CG 4.1Å; L942-L1115 HydrophobicContact CD2-CD2 4.23Å |
| 943 | T | 83.6 | Confident | 84.8 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | trans | -67.1 | 148.6 | 175.9 | 70.9 | 0 | 0 | 0 | 0 | 109.5 | L873 Y941 D945 P949 D950 V952 | L873-T943 HydrophobicContact CD1-CG2 3.56Å; L873-T943 HydrophobicContact CD2-CG2 4.12Å; L873-T943 HydrophobicContact CG-CG2 4.46Å; Y941-T943 HydrophobicContact CD1-CG2 4.36Å; Y941-T943 HydrophobicContact CE1-CG2 4.45Å; T943-D945 VanDerWaalsContact C-N 3.29Å; T943-D945 PolarHBondContact O-N 2.9Å; T943-P949 WeakPolarHBondContact O-CB 3.33Å; T943-D950 HydrophobicContact CG2-CB 4.06Å; T943-D950 PolarHBondContact N-O 3.09Å; T943-D950 PolarHBondContact OG1-N 3.09Å; T943-V952 HydrophobicContact CG2-CG2 3.95Å | ||
| 944 | A | 67.3 | Low | 85.1 | Confident | 32 Ų | 32 | 29.5 Ų | 29.5 | 26% | 0.264 | 15% | 0.154 | S | C | . | . | trans | -98 | 34 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R866 E869 E946 | R866-A944 VanDerWaalsContact CZ-O 3.26Å; R866-A944 PolarHBondContact NH1-O 2.94Å; R866-A944 PolarHBondContact NH2-O 3.37Å; E869-A944 PolarHBondContact OE2-N 2.89Å; E869-A944 VanDerWaalsContact OE2-N 3.09Å; A944-E946 PolarHBondContact O-N 2.87Å | ||
| 945 | D | 63 | Low | 85.3 | Confident | 82 Ų | 82 | 27.4 Ų | 27.4 | 44% | 0.439 | 14% | 0.143 | S | C | . | . | trans | -63.6 | 124.4 | 163.5 | -170 | -37.4 | 0 | 0 | 0 | 109 | T943 H947 A948 P949 | T943-D945 VanDerWaalsContact C-N 3.29Å; T943-D945 PolarHBondContact O-N 2.9Å; D945-H947 VanDerWaalsContact C-N 3.32Å; D945-H947 PolarHBondContact OD1-N 3.46Å; D945-A948 PolarHBondContact OD1-N 3.5Å; D945-P949 WeakPolarHBondContact O-CD 3.5Å | ||
| 946 | E | 52 | Low | 85.4 | Confident | 159 Ų | 159 | 27 Ų | 27 | 74% | 0.743 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -73.7 | -23.7 | -176.5 | -64.6 | -164 | 163 | 0 | 0 | 113 | A944 | A944-E946 PolarHBondContact O-N 2.87Š|
| 947 | H | 52.5 | Low | 85.3 | Confident | 160 Ų | 160 | 27.1 Ų | 27.1 | 74% | 0.741 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -90.8 | -40.8 | -175.7 | -65 | -57.7 | 0 | 0 | 0 | 112.1 | D945 | D945-H947 VanDerWaalsContact C-N 3.32Å; D945-H947 PolarHBondContact OD1-N 3.46Å |
| 948 | A | 66.1 | Low | 85.2 | Confident | 24 Ų | 24 | 29.1 Ų | 29.1 | 20% | 0.198 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -153.2 | 83.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110.8 | D945 D950 E972 | D945-A948 PolarHBondContact OD1-N 3.5Å; A948-D950 PolarHBondContact O-N 3.36Å; A948-E972 WeakPolarHBondContact CB-OE1 3.43Å |
| 949 | P | 77.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 31.9 Ų | 31.9 | 7% | 0.065 | 17% | 0.166 | C | C | . | . | trans | -72.2 | 126.4 | -179.5 | 29 | -33.5 | 0 | 0 | 0 | 110.9 | L942 T943 D945 A970 F971 | L942-P949 HydrophobicContact CD1-CB 3.83Å; L942-P949 HydrophobicContact CD1-CG 4.22Å; L942-P949 HydrophobicContact CD2-CB 4.41Å; L942-P949 HydrophobicContact CG-CB 3.9Å; L942-P949 HydrophobicContact CG-CG 4.48Å; T943-P949 WeakPolarHBondContact O-CB 3.33Å; D945-P949 WeakPolarHBondContact O-CD 3.5Å; P949-A970 PolarHBondContact O-N 2.61Å; P949-F971 HydrophobicContact CB-CE2 4.5Å; P949-F971 HydrophobicContact CG-CD2 3.17Å; P949-F971 HydrophobicContact CG-CE2 3.38Å; P949-F971 HydrophobicContact CG-CG 4.15Å; P949-F971 HydrophobicContact CG-CZ 4.49Å | ||
| 950 | D | 86.6 | Confident | 84.7 | Confident | 51 Ų | 51 | 32.6 Ų | 32.6 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 142.3 | 177 | -85.4 | -12.7 | 0 | 0 | 0 | 110.6 | L942 T943 A948 N966 G968 S969 | L942-D950 WeakPolarHBondContact CA-O 3.23Å; T943-D950 HydrophobicContact CG2-CB 4.06Å; T943-D950 PolarHBondContact N-O 3.09Å; T943-D950 PolarHBondContact OG1-N 3.09Å; A948-D950 PolarHBondContact O-N 3.36Å; D950-N966 PolarHBondContact OD2-ND2 3.36Å; D950-G968 WeakPolarHBondContact CA-O 3.49Å; D950-G968 VanDerWaalsContact OD1-C 3.3Å; D950-S969 WeakPolarHBondContact OD1-CA 3.5Å; D950-S969 PolarHBondContact OD1-N 3.47Å; D950-S969 VanDerWaalsContact OD1-N 3.16Å |
| 951 | L | 92.2 | Very high | 84.6 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 108.8 | 171.5 | -176.7 | 63.9 | 0 | 0 | 0 | 110.2 | L940 N966 L967 G968 A970 W1021 F1022 L1115 | L940-L951 HydrophobicContact CB-CD1 4.38Å; L951-N966 PolarHBondContact O-OD1 3.29Å; L951-L967 HydrophobicContact CB-CB 4.32Å; L951-L967 HydrophobicContact CD2-CB 4.44Å; L951-L967 HydrophobicContact CD2-CD1 3.89Å; L951-L967 HydrophobicContact CG-CB 4.45Å; L951-L967 HydrophobicContact CG-CD1 4.16Å; L951-L967 WeakPolarHBondContact O-CB 3.26Å; L951-L967 PolarHBondContact O-N 2.85Å; L951-G968 PolarHBondContact N-O 2.9Å; L951-A970 HydrophobicContact CB-CB 4.16Å; L951-W1021 HydrophobicContact CD2-CB 4.28Å; L951-W1021 HydrophobicContact CD2-CD2 4.08Å; L951-W1021 HydrophobicContact CD2-CE3 3.63Å; L951-W1021 HydrophobicContact CD2-CG 4.4Å; L951-W1021 HydrophobicContact CD2-CZ3 4.2Å; L951-F1022 HydrophobicContact CD2-CE1 4.18Å; L951-L1115 HydrophobicContact CD1-CD1 3.74Å |
| 952 | V | 92.6 | Very high | 84.8 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.7 | 176.7 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | L873 L887 Y941 T943 I964 | L873-V952 HydrophobicContact CD2-CG2 4.2Å; L887-V952 HydrophobicContact CD1-CG1 4.22Å; Y941-V952 PolarHBondContact N-O 2.98Å; Y941-V952 PolarHBondContact O-N 3.15Å; T943-V952 HydrophobicContact CG2-CG2 3.95Å; V952-I964 HydrophobicContact CG1-CG2 3.83Å |
| 953 | L | 96.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126 | 172.6 | -176.6 | 156.5 | 0 | 0 | 0 | 109.4 | V938 T939 L940 R955 I964 V965 L967 L1028 L1029 | V938-L953 HydrophobicContact CG1-CD1 4.33Å; V938-L953 HydrophobicContact CG1-CG 4.17Å; T939-L953 WeakPolarHBondContact O-CA 3.41Å; L940-L953 HydrophobicContact CD2-CB 4.02Å; L940-L953 HydrophobicContact CD2-CD1 3.96Å; L940-L953 HydrophobicContact CD2-CG 3.96Å; L953-R955 HydrophobicContact CD2-CB 4Å; L953-I964 CarbonylContact O-C 3.58Å; L953-I964 WeakPolarHBondContact O-CA 3.05Å; L953-V965 PolarHBondContact N-O 3.3Å; L953-V965 PolarHBondContact O-N 3.14Å; L953-L967 HydrophobicContact CB-CD1 4.16Å; L953-L967 HydrophobicContact CB-CG 4.41Å; L953-L967 HydrophobicContact CD1-CD1 4.34Å; L953-L1028 HydrophobicContact CD1-CB 3.75Å; L953-L1028 HydrophobicContact CD1-CD1 4.3Å; L953-L1028 HydrophobicContact CD2-CB 4.21Å; L953-L1028 HydrophobicContact CD2-CD1 4.33Å; L953-L1029 HydrophobicContact CD1-CD2 3.67Å |
| 954 | L | 97.5 | Very high | 85.6 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.5 | 171.1 | 159.3 | 68.5 | 0 | 0 | 0 | 108.5 | A884 L887 T939 M956 P962 L963 I964 | A884-L954 HydrophobicContact CB-CD1 3.74Å; A884-L954 HydrophobicContact CB-CD2 4.13Å; L887-L954 HydrophobicContact CB-CD2 4.09Å; L887-L954 HydrophobicContact CD1-CB 4.2Å; L887-L954 HydrophobicContact CD1-CD2 4.22Å; T939-L954 PolarHBondContact N-O 2.92Å; T939-L954 PolarHBondContact O-N 3.49Å; L954-M956 HydrophobicContact CD1-CG 3.75Å; L954-M956 HydrophobicContact CD1-SD 4.14Å; L954-M956 HydrophobicContact CD2-CE 4.22Å; L954-M956 HydrophobicContact CD2-SD 4.07Å; L954-M956 HydrophobicContact CG-CE 4.49Å; L954-M956 HydrophobicContact CG-CG 4.05Å; L954-M956 HydrophobicContact CG-SD 4.22Å; L954-P962 HydrophobicContact CD1-CB 3.85Å; L954-L963 WeakPolarHBondContact CA-O 3.32Å; L954-I964 HydrophobicContact CD1-CD1 4.23Å; L954-I964 HydrophobicContact CD1-CG1 3.78Å |
| 955 | R | 97.7 | Very high | 86.8 | Confident | 5 Ų | 5 | 35.6 Ų | 35.6 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.7 | 177.4 | 176.1 | 176.2 | 170.8 | 157.3 | -8.6 | 110 | T936 V937 V938 L953 P962 L963 P1027 L1028 R1030 E1056 N1060 | T936-R955 HydrophobicContact CG2-CG 3.74Å; V937-R955 WeakPolarHBondContact O-CA 3.16Å; V938-R955 HydrophobicContact CG2-CG 4.46Å; L953-R955 HydrophobicContact CD2-CB 4Å; R955-P962 CarbonylContact O-C 3.59Å; R955-P962 VanDerWaalsContact O-CA 3.31Å; R955-P962 WeakPolarHBondContact O-CA 3.47Å; R955-L963 HydrophobicContact CB-CB 4.35Å; R955-L963 PolarHBondContact N-O 2.97Å; R955-L963 PolarHBondContact O-N 3.41Å; R955-P1027 PolarHBondContact NH1-O 3.36Å; R955-L1028 PolarHBondContact NH1-O 2.86Å; R955-R1030 PolarHBondContact NH1-O 3.22Å; R955-R1030 PolarHBondContact NH2-O 3.38Å; R955-E1056 IonicContact CZ-OE1 3.58Å; R955-E1056 IonicContact NE-OE1 2.77Å; R955-E1056 IonicContact NH2-OE1 3.47Å; R955-E1056 PolarHBondContact NH2-OE1 3.48Å; R955-N1060 PolarHBondContact NH2-ND2 3.06Å |
| 956 | M | 97 | Very high | 88 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 145 | -178.5 | -59.4 | -178 | -63.2 | 0 | 0 | 111.1 | A884 V928 V937 L954 P962 L1137 | A884-M956 HydrophobicContact CB-SD 4.2Å; V928-M956 HydrophobicContact CG2-CB 4.45Å; V928-M956 HydrophobicContact CG2-SD 4.24Å; V937-M956 HydrophobicContact CB-CB 4.42Å; V937-M956 HydrophobicContact CB-CE 4.4Å; V937-M956 HydrophobicContact CG1-CE 4.01Å; V937-M956 PolarHBondContact N-O 3.48Å; V937-M956 PolarHBondContact O-N 2.84Å; L954-M956 HydrophobicContact CD1-CG 3.75Å; L954-M956 HydrophobicContact CD1-SD 4.14Å; L954-M956 HydrophobicContact CD2-CE 4.22Å; L954-M956 HydrophobicContact CD2-SD 4.07Å; L954-M956 HydrophobicContact CG-CE 4.49Å; L954-M956 HydrophobicContact CG-CG 4.05Å; L954-M956 HydrophobicContact CG-SD 4.22Å; M956-P962 HydrophobicContact CG-CB 4.1Å; M956-P962 HydrophobicContact CG-CG 4.21Å; M956-L1137 HydrophobicContact CE-CD1 4.23Å; M956-L1137 HydrophobicContact CE-CD2 4.23Å |
| 957 | S | 96.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 165.9 | 170.9 | 74.1 | 0 | 0 | 0 | 0 | 109.9 | V928 R959 C960 | V928-S957 VanDerWaalsContact CG1-C 3.46Å; V928-S957 WeakPolarHBondContact CG1-O 3.34Å; S957-R959 PolarHBondContact O-N 2.93Å; S957-R959 PolarHBondContact OG-N 3.24Å; S957-R959 PolarHBondContact OG-NH2 3.41Å; S957-C960 VanDerWaalsContact O-O 3.07Å; S957-C960 PolarHBondContact OG-SG 3.01Å; S957-C960 VanDerWaalsContact OG-SG 3.39Å |
| 958 | S | 95.6 | Very high | 91.3 | Very high | 42 Ų | 42 | 22.2 Ų | 22.2 | 29% | 0.294 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -10.2 | 171.9 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | V928 L931 | V928-S958 WeakPolarHBondContact O-CB 3.34Å; L931-S958 PolarHBondContact O-OG 2.82Å |
| 959 | R | 93.6 | Very high | 92.2 | Very high | 58 Ų | 58 | 21.8 Ų | 21.8 | 22% | 0.219 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -23.3 | -175.9 | -55.3 | 179.9 | -61.1 | -76.2 | -1 | 114.1 | K933 W935 T936 S957 H1031 E1056 | K933-R959 WeakPolarHBondContact O-CD 3.46Å; K933-R959 WeakPolarHBondContact O-CG 3.47Å; K933-R959 PolarHBondContact O-NH1 3.36Å; W935-R959 PolarHBondContact O-NH1 2.94Å; T936-R959 PolarHBondContact OG1-NH2 3.27Å; S957-R959 PolarHBondContact O-N 2.93Å; S957-R959 PolarHBondContact OG-N 3.24Å; S957-R959 PolarHBondContact OG-NH2 3.41Å; R959-H1031 VanDerWaalsContact CZ-NE2 3.31Å; R959-H1031 PolarHBondContact NE-NE2 2.78Å; R959-H1031 PolarHBondContact NH2-CE1 3.49Å; R959-H1031 PolarHBondContact NH2-ND1 2.96Å; R959-H1031 PolarHBondContact NH2-NE2 2.71Å; R959-E1056 IonicContact CZ-OE1 3.59Å; R959-E1056 IonicContact CZ-OE2 3.36Å; R959-E1056 IonicContact NE-OE1 2.98Å; R959-E1056 IonicContact NE-OE2 3.66Å; R959-E1056 PolarHBondContact NE-OE2 3.46Å; R959-E1056 IonicContact NH2-OE1 3.52Å; R959-E1056 PolarHBondContact NH2-OE1 2.99Å; R959-E1056 IonicContact NH2-OE2 2.71Å |
| 960 | C | 92.8 | Very high | 92 | Very high | 16 Ų | 16 | 21.5 Ų | 21.5 | 11% | 0.108 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 161.4 | -171.1 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | S957 N1053 | S957-C960 VanDerWaalsContact O-O 3.07Å; S957-C960 PolarHBondContact OG-SG 3.01Å; S957-C960 VanDerWaalsContact OG-SG 3.39Å; C960-N1053 HydrophobicContact CB-CB 3.9Å |
| 961 | D | 93.6 | Very high | 91.3 | Very high | 86 Ų | 86 | 22 Ų | 22 | 46% | 0.46 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 155.5 | 173 | -68.1 | -32.9 | 0 | 0 | 0 | 112.3 | W881 L963 N1053 | W881-D961 PolarHBondContact NE1-OD1 2.98Å; D961-L963 PolarHBondContact O-N 3.24Å; D961-N1053 WeakPolarHBondContact O-CB 3.45Å; D961-N1053 PolarHBondContact O-ND2 2.79Å; D961-N1053 VanDerWaalsContact O-ND2 3.07Å |
| 962 | P | 97.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 137.1 | 178.4 | -26.9 | 34.4 | 0 | 0 | 0 | 112.7 | S880 W881 A884 L954 R955 M956 I964 N1053 | S880-P962 WeakPolarHBondContact CB-O 3.3Å; W881-P962 VanDerWaalsContact CD2-CD 3.46Å; W881-P962 HydrophobicContact CD2-CG 3.61Å; W881-P962 HydrophobicContact CE3-CG 3.57Å; W881-P962 HydrophobicContact CG-CG 4.2Å; W881-P962 HydrophobicContact CH2-CG 4.08Å; W881-P962 HydrophobicContact CZ2-CG 4.13Å; W881-P962 HydrophobicContact CZ3-CG 3.8Å; A884-P962 HydrophobicContact CB-CB 3.93Å; A884-P962 HydrophobicContact CB-CG 3.91Å; L954-P962 HydrophobicContact CD1-CB 3.85Å; R955-P962 CarbonylContact O-C 3.59Å; R955-P962 VanDerWaalsContact O-CA 3.31Å; R955-P962 WeakPolarHBondContact O-CA 3.47Å; M956-P962 HydrophobicContact CG-CB 4.1Å; M956-P962 HydrophobicContact CG-CG 4.21Å; P962-I964 HydrophobicContact CB-CD1 4.08Å; P962-N1053 PolarHBondContact O-ND2 3.19Å |
| 963 | L | 95.7 | Very high | 89.3 | Confident | 11 Ų | 11 | 32.7 Ų | 32.7 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.5 | 171.6 | 177.7 | 63.8 | 0 | 0 | 0 | 109.3 | L954 R955 D961 V965 L1028 N1053 L1054 A1057 | L954-L963 WeakPolarHBondContact CA-O 3.32Å; R955-L963 HydrophobicContact CB-CB 4.35Å; R955-L963 PolarHBondContact N-O 2.97Å; R955-L963 PolarHBondContact O-N 3.41Å; D961-L963 PolarHBondContact O-N 3.24Å; L963-V965 HydrophobicContact CD1-CG2 4.28Å; L963-V965 HydrophobicContact CD2-CG2 4.48Å; L963-V965 HydrophobicContact CG-CG2 4.07Å; L963-L1028 HydrophobicContact CD2-CD2 3.93Å; L963-N1053 HydrophobicContact CB-CB 4.23Å; L963-L1054 HydrophobicContact CD1-CD2 3.6Å; L963-L1054 HydrophobicContact CD1-CG 4.34Å; L963-A1057 HydrophobicContact CD2-CB 3.87Å |
| 964 | I | 93.9 | Very high | 88.8 | Confident | 23 Ų | 23 | 33.4 Ų | 33.4 | 12% | 0.118 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.2 | 179.8 | -56 | 91.6 | 0 | 0 | 0 | 109.2 | S880 V883 V952 L953 L954 P962 | S880-I964 WeakPolarHBondContact O-CD1 3.14Å; V883-I964 HydrophobicContact CB-CD1 4.47Å; V883-I964 HydrophobicContact CG1-CG1 4.14Å; V883-I964 HydrophobicContact CG1-CG2 4.36Å; V952-I964 HydrophobicContact CG1-CG2 3.83Å; L953-I964 CarbonylContact O-C 3.58Å; L953-I964 WeakPolarHBondContact O-CA 3.05Å; L954-I964 HydrophobicContact CD1-CD1 4.23Å; L954-I964 HydrophobicContact CD1-CG1 3.78Å; P962-I964 HydrophobicContact CB-CD1 4.08Å |
| 965 | V | 92.1 | Very high | 88.3 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 123.7 | -179.2 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | L953 L963 L967 L1028 L1077 | L953-V965 PolarHBondContact N-O 3.3Å; L953-V965 PolarHBondContact O-N 3.14Å; L963-V965 HydrophobicContact CD1-CG2 4.28Å; L963-V965 HydrophobicContact CD2-CG2 4.48Å; L963-V965 HydrophobicContact CG-CG2 4.07Å; V965-L967 HydrophobicContact CG1-CD2 3.95Å; V965-L1028 HydrophobicContact CB-CD1 4.12Å; V965-L1028 HydrophobicContact CG1-CD1 4.23Å; V965-L1028 HydrophobicContact CG2-CD1 3.81Å; V965-L1077 HydrophobicContact CG2-CD2 4.3Å |
| 966 | N | 89.2 | Confident | 88 | Confident | 56 Ų | 56 | 36.3 Ų | 36.3 | 30% | 0.299 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 118.4 | 169.1 | -173.1 | -11.3 | 0 | 0 | 0 | 108.7 | P822 D950 L951 G968 | P822-N966 WeakPolarHBondContact CB-O 3.23Å; D950-N966 PolarHBondContact OD2-ND2 3.36Å; L951-N966 PolarHBondContact O-OD1 3.29Å; N966-G968 VanDerWaalsContact C-N 3.32Å; N966-G968 WeakPolarHBondContact OD1-CA 3.31Å; N966-G968 PolarHBondContact OD1-N 2.85Å |
| 967 | L | 90 | Very high | 87.6 | Confident | 37 Ų | 37 | 38.3 Ų | 38.3 | 19% | 0.194 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -2 | -179.8 | -57.6 | 176.6 | 0 | 0 | 0 | 112.6 | L951 L953 V965 F1022 M1025 | L951-L967 HydrophobicContact CB-CB 4.32Å; L951-L967 HydrophobicContact CD2-CB 4.44Å; L951-L967 HydrophobicContact CD2-CD1 3.89Å; L951-L967 HydrophobicContact CG-CB 4.45Å; L951-L967 HydrophobicContact CG-CD1 4.16Å; L951-L967 WeakPolarHBondContact O-CB 3.26Å; L951-L967 PolarHBondContact O-N 2.85Å; L953-L967 HydrophobicContact CB-CD1 4.16Å; L953-L967 HydrophobicContact CB-CG 4.41Å; L953-L967 HydrophobicContact CD1-CD1 4.34Å; V965-L967 HydrophobicContact CG1-CD2 3.95Å; L967-F1022 HydrophobicContact CD1-CD1 3.91Å; L967-F1022 HydrophobicContact CD1-CE1 4.06Å; L967-M1025 HydrophobicContact CD2-CB 4.07Å; L967-M1025 HydrophobicContact CD2-CG 4.08Å |
| 968 | G | 84.6 | Confident | 87.2 | Confident | 27 Ų | 27 | 41.1 Ų | 41.1 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.6 | -174.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D950 L951 N966 A970 | D950-G968 WeakPolarHBondContact CA-O 3.49Å; D950-G968 VanDerWaalsContact OD1-C 3.3Å; L951-G968 PolarHBondContact N-O 2.9Å; N966-G968 VanDerWaalsContact C-N 3.32Å; N966-G968 WeakPolarHBondContact OD1-CA 3.31Å; N966-G968 PolarHBondContact OD1-N 2.85Å; G968-A970 PolarHBondContact O-N 3.38Å |
| 969 | S | 83 | Confident | 87.1 | Confident | 15 Ų | 15 | 42.3 Ų | 42.3 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 111.7 | -175.8 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | D950 F971 E972 V973 | D950-S969 WeakPolarHBondContact OD1-CA 3.5Å; D950-S969 PolarHBondContact OD1-N 3.47Å; D950-S969 VanDerWaalsContact OD1-N 3.16Å; S969-F971 PolarHBondContact O-N 3.14Å; S969-E972 VanDerWaalsContact OG-CG 3.28Å; S969-E972 WeakPolarHBondContact OG-CG 3.48Å; S969-V973 WeakPolarHBondContact O-CG2 3.36Å |
| 970 | A | 74.2 | Confident | 87.1 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.5 | -43.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L942 P949 L951 G968 Y974 W1021 | L942-A970 HydrophobicContact CD1-CB 3.76Å; P949-A970 PolarHBondContact O-N 2.61Å; L951-A970 HydrophobicContact CB-CB 4.16Å; G968-A970 PolarHBondContact O-N 3.38Å; A970-Y974 CarbonylContact O-C 3.57Å; A970-Y974 PolarHBondContact O-N 3.48Å; A970-W1021 HydrophobicContact CB-CZ2 3.96Å; A970-W1021 PolarHBondContact O-NE1 3.29Å |
| 971 | F | 72.1 | Confident | 87 | Confident | 62 Ų | 62 | 43.3 Ų | 43.3 | 27% | 0.272 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -89.8 | -23.3 | -170.8 | -60.5 | -36.3 | 0 | 0 | 0 | 114.4 | L942 P949 S969 V973 D975 L977 W1021 | L942-F971 HydrophobicContact CD2-CE2 3.83Å; L942-F971 HydrophobicContact CD2-CZ 3.59Å; P949-F971 HydrophobicContact CB-CE2 4.5Å; P949-F971 HydrophobicContact CG-CD2 3.17Å; P949-F971 HydrophobicContact CG-CE2 3.38Å; P949-F971 HydrophobicContact CG-CG 4.15Å; P949-F971 HydrophobicContact CG-CZ 4.49Å; S969-F971 PolarHBondContact O-N 3.14Å; F971-V973 PolarHBondContact O-N 3.02Å; F971-D975 HydrophobicContact CD1-CB 4.41Å; F971-L977 HydrophobicContact CE1-CB 4.43Å; F971-L977 HydrophobicContact CE1-CD1 3.96Å; F971-L977 HydrophobicContact CE1-CG 3.9Å; F971-L977 HydrophobicContact CZ-CD1 3.52Å; F971-L977 HydrophobicContact CZ-CG 4.01Å; F971-W1021 HydrophobicContact CD1-CZ2 4.48Å; F971-W1021 HydrophobicContact CE1-CZ2 4.13Å |
| 972 | E | 70.6 | Confident | 87.1 | Confident | 148 Ų | 148 | 43.3 Ų | 43.3 | 69% | 0.692 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.9 | -35.7 | 169.1 | -73.7 | 179.6 | 179.2 | 0 | 0 | 111.1 | A948 S969 | A948-E972 WeakPolarHBondContact CB-OE1 3.43Å; S969-E972 VanDerWaalsContact OG-CG 3.28Å; S969-E972 WeakPolarHBondContact OG-CG 3.48Å |
| 973 | V | 73.4 | Confident | 86.9 | Confident | 85 Ų | 85 | 43.6 Ų | 43.6 | 52% | 0.515 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -80.5 | -47.7 | 177.2 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | S969 F971 K1020 | S969-V973 WeakPolarHBondContact O-CG2 3.36Å; F971-V973 PolarHBondContact O-N 3.02Å; V973-K1020 HydrophobicContact CG1-CB 3.96Å |
| 974 | Y | 84.8 | Confident | 86.8 | Confident | 16 Ų | 16 | 44.2 Ų | 44.2 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | trans | -163.1 | 112.3 | -176.1 | -172.5 | -138.2 | 0 | 0 | 0 | 113.8 | A970 A976 E979 F1013 H1016 L1017 K1020 W1021 | A970-Y974 CarbonylContact O-C 3.57Å; A970-Y974 PolarHBondContact O-N 3.48Å; Y974-A976 HydrophobicContact CD1-CB 3.87Å; Y974-A976 HydrophobicContact CE1-CB 3.86Å; Y974-A976 PolarHBondContact O-N 3.17Å; Y974-E979 WeakPolarHBondContact CE2-OE2 3.41Å; Y974-E979 PolarHBondContact OH-OE1 3.23Å; Y974-E979 PolarHBondContact OH-OE2 3.08Å; Y974-F1013 HydrophobicContact CE1-CE2 4.42Å; Y974-F1013 VanDerWaalsContact OH-CD2 3.32Å; Y974-F1013 WeakPolarHBondContact OH-CD2 3.48Å; Y974-H1016 HydrophobicContact CE1-CB 3.79Å; Y974-H1016 HydrophobicContact CE2-CB 4.41Å; Y974-L1017 HydrophobicContact CE1-CB 4.45Å; Y974-K1020 HydrophobicContact CD1-CB 4.25Å; Y974-K1020 HydrophobicContact CD1-CD 4.03Å; Y974-K1020 HydrophobicContact CD2-CD 3.8Å; Y974-K1020 HydrophobicContact CG-CB 4.27Å; Y974-K1020 HydrophobicContact CG-CD 3.51Å; Y974-W1021 PolarHBondContact O-NE1 2.93Å | ||
| 975 | D | 88 | Confident | 86.7 | Confident | 66 Ų | 66 | 47 Ų | 47 | 35% | 0.353 | 25% | 0.25 | S | C | . | . | trans | -74.8 | 74.3 | 171.2 | -170.2 | -4.8 | 0 | 0 | 0 | 112.4 | F971 L977 S978 E979 | F971-D975 HydrophobicContact CD1-CB 4.41Å; D975-L977 VanDerWaalsContact C-N 3.26Å; D975-L977 PolarHBondContact O-N 3.06Å; D975-L977 PolarHBondContact OD1-N 3.49Å; D975-S978 VanDerWaalsContact CG-CB 3.42Å; D975-S978 WeakPolarHBondContact OD1-CB 3.47Å; D975-S978 PolarHBondContact OD1-N 3.16Å; D975-S978 PolarHBondContact OD1-OG 2.88Å; D975-S978 WeakPolarHBondContact OD2-CB 3.37Å; D975-S978 PolarHBondContact OD2-OG 3.4Å; D975-E979 PolarHBondContact O-N 3.49Å | ||
| 976 | A | 90.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -29.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y974 L980 F1013 L1017 W1021 L1118 | Y974-A976 HydrophobicContact CD1-CB 3.87Å; Y974-A976 HydrophobicContact CE1-CB 3.86Å; Y974-A976 PolarHBondContact O-N 3.17Å; A976-L980 VanDerWaalsContact O-CB 3.28Å; A976-L980 WeakPolarHBondContact O-CB 3.31Å; A976-L980 PolarHBondContact O-N 3.4Å; A976-F1013 HydrophobicContact CB-CE2 3.97Å; A976-F1013 HydrophobicContact CB-CZ 4.24Å; A976-F1013 VanDerWaalsContact O-CE2 3.27Å; A976-F1013 WeakPolarHBondContact O-CE2 3.41Å; A976-L1017 HydrophobicContact CB-CD1 3.78Å; A976-W1021 HydrophobicContact CB-CH2 4.33Å; A976-W1021 HydrophobicContact CB-CZ2 3.73Å; A976-L1118 HydrophobicContact CB-CD2 4.32Å |
| 977 | L | 88.6 | Confident | 87.1 | Confident | 44 Ų | 44 | 48.1 Ų | 48.1 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.7 | -43.6 | -177.7 | -63.4 | -173.5 | 0 | 0 | 0 | 111.3 | F971 D975 N981 D1114 L1118 | F971-L977 HydrophobicContact CE1-CB 4.43Å; F971-L977 HydrophobicContact CE1-CD1 3.96Å; F971-L977 HydrophobicContact CE1-CG 3.9Å; F971-L977 HydrophobicContact CZ-CD1 3.52Å; F971-L977 HydrophobicContact CZ-CG 4.01Å; D975-L977 VanDerWaalsContact C-N 3.26Å; D975-L977 PolarHBondContact O-N 3.06Å; D975-L977 PolarHBondContact OD1-N 3.49Å; L977-N981 WeakPolarHBondContact O-CB 3.43Å; L977-N981 PolarHBondContact O-N 3.16Å; L977-D1114 HydrophobicContact CD1-CB 3.97Å; L977-D1114 VanDerWaalsContact CD2-O 3.31Å; L977-D1114 WeakPolarHBondContact CD2-O 3.24Å; L977-L1118 HydrophobicContact CD2-CD1 4.1Å; L977-L1118 HydrophobicContact CD2-CD2 3.87Å; L977-L1118 HydrophobicContact CD2-CG 3.86Å |
| 978 | S | 88.4 | Confident | 87.2 | Confident | 61 Ų | 61 | 48.4 Ų | 48.4 | 43% | 0.427 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 175.5 | -68 | 0 | 0 | 0 | 0 | 111.7 | D975 N981 E982 | D975-S978 VanDerWaalsContact CG-CB 3.42Å; D975-S978 WeakPolarHBondContact OD1-CB 3.47Å; D975-S978 PolarHBondContact OD1-N 3.16Å; D975-S978 PolarHBondContact OD1-OG 2.88Å; D975-S978 WeakPolarHBondContact OD2-CB 3.37Å; D975-S978 PolarHBondContact OD2-OG 3.4Å; S978-N981 PolarHBondContact O-N 3.05Å; S978-E982 PolarHBondContact O-N 3.12Å; S978-E982 VanDerWaalsContact O-N 3.09Å |
| 979 | E | 94.2 | Very high | 87.6 | Confident | 66 Ų | 66 | 55 Ų | 55 | 31% | 0.308 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 177.8 | -171.4 | 172.1 | 156.2 | 0 | 0 | 112 | Y974 D975 N981 E982 L983 F1013 | Y974-E979 WeakPolarHBondContact CE2-OE2 3.41Å; Y974-E979 PolarHBondContact OH-OE1 3.23Å; Y974-E979 PolarHBondContact OH-OE2 3.08Å; D975-E979 PolarHBondContact O-N 3.49Å; E979-N981 VanDerWaalsContact C-N 3.31Å; E979-N981 PolarHBondContact O-N 2.78Å; E979-E982 PolarHBondContact O-N 2.84Å; E979-L983 HydrophobicContact CG-CD1 4.46Å; E979-L983 WeakPolarHBondContact O-CG 3.18Å; E979-L983 PolarHBondContact O-N 3.14Å; E979-F1013 HydrophobicContact CB-CD2 4.21Å; E979-F1013 HydrophobicContact CB-CE2 4.35Å; E979-F1013 HydrophobicContact CG-CD2 4.02Å |
| 980 | L | 93.6 | Very high | 88 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 9% | 0.089 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 176.9 | -178.2 | 60.7 | 0 | 0 | 0 | 112 | A976 E982 L983 D984 M1010 F1013 L1118 | A976-L980 VanDerWaalsContact O-CB 3.28Å; A976-L980 WeakPolarHBondContact O-CB 3.31Å; A976-L980 PolarHBondContact O-N 3.4Å; L980-E982 VanDerWaalsContact C-N 3.34Å; L980-E982 PolarHBondContact O-N 3.21Å; L980-L983 PolarHBondContact O-N 2.63Å; L980-D984 PolarHBondContact O-N 3.23Å; L980-M1010 HydrophobicContact CD1-CE 3.93Å; L980-M1010 HydrophobicContact CD1-SD 4.45Å; L980-F1013 HydrophobicContact CB-CE1 4.49Å; L980-F1013 HydrophobicContact CB-CE2 4.07Å; L980-F1013 HydrophobicContact CB-CZ 3.86Å; L980-F1013 HydrophobicContact CD1-CE1 4.1Å; L980-F1013 HydrophobicContact CD1-CZ 4.3Å; L980-F1013 HydrophobicContact CD2-CZ 4.5Å; L980-F1013 HydrophobicContact CG-CZ 4.44Å; L980-L1118 HydrophobicContact CD2-CD2 4.02Å |
| 981 | N | 90.3 | Very high | 88.7 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 42% | 0.422 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.6 | -172.5 | 23 | 0 | 0 | 0 | 111.8 | L977 S978 E979 D984 K985 | L977-N981 WeakPolarHBondContact O-CB 3.43Å; L977-N981 PolarHBondContact O-N 3.16Å; S978-N981 PolarHBondContact O-N 3.05Å; E979-N981 VanDerWaalsContact C-N 3.31Å; E979-N981 PolarHBondContact O-N 2.78Å; N981-D984 PolarHBondContact O-N 2.99Å; N981-K985 WeakPolarHBondContact O-CG 3.37Å; N981-K985 PolarHBondContact O-N 2.84Å |
| 982 | E | 94.3 | Very high | 89.5 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.1 | -36.7 | 174.5 | -70.3 | -53.5 | 130.4 | 0 | 0 | 112.6 | S978 E979 L980 K985 K986 | S978-E982 PolarHBondContact O-N 3.12Å; S978-E982 VanDerWaalsContact O-N 3.09Å; E979-E982 PolarHBondContact O-N 2.84Å; L980-E982 VanDerWaalsContact C-N 3.34Å; L980-E982 PolarHBondContact O-N 3.21Å; E982-K985 PolarHBondContact O-N 2.86Å; E982-K985 IonicContact OE1-NZ 2.81Å; E982-K985 PolarHBondContact OE1-NZ 2.87Å; E982-K986 WeakPolarHBondContact O-CG 3.46Å; E982-K986 PolarHBondContact O-N 3.17Å |
| 983 | L | 94.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65 | -40.3 | 172.8 | -68.6 | 176.9 | 0 | 0 | 0 | 112.2 | E979 L980 K986 N987 Q1009 M1010 F1013 | E979-L983 HydrophobicContact CG-CD1 4.46Å; E979-L983 WeakPolarHBondContact O-CG 3.18Å; E979-L983 PolarHBondContact O-N 3.14Å; L980-L983 PolarHBondContact O-N 2.63Å; L983-K986 HydrophobicContact CD2-CD 4.49Å; L983-K986 PolarHBondContact O-N 3.48Å; L983-N987 WeakPolarHBondContact O-CB 3.33Å; L983-N987 PolarHBondContact O-N 3.02Å; L983-Q1009 HydrophobicContact CD2-CB 3.59Å; L983-Q1009 HydrophobicContact CD2-CG 4.46Å; L983-M1010 HydrophobicContact CB-CE 4.37Å; L983-M1010 HydrophobicContact CD1-CE 4.28Å; L983-M1010 HydrophobicContact CD1-SD 4.43Å; L983-F1013 HydrophobicContact CD1-CB 3.63Å; L983-F1013 HydrophobicContact CD1-CD2 4.22Å; L983-F1013 HydrophobicContact CD1-CG 3.86Å |
| 984 | D | 91.8 | Very high | 91.1 | Very high | 23 Ų | 23 | 64.1 Ų | 64.1 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.2 | -170.5 | 37.8 | 0 | 0 | 0 | 111.2 | L980 N981 K986 N987 V988 R1241 | L980-D984 PolarHBondContact O-N 3.23Å; N981-D984 PolarHBondContact O-N 2.99Å; D984-K986 VanDerWaalsContact C-N 3.34Å; D984-K986 PolarHBondContact O-N 3.48Å; D984-N987 WeakPolarHBondContact O-CB 3.41Å; D984-N987 PolarHBondContact O-N 2.83Å; D984-N987 VanDerWaalsContact O-N 3.17Å; D984-V988 WeakPolarHBondContact O-CG2 3.46Å; D984-V988 PolarHBondContact O-N 2.8Å; D984-R1241 IonicContact OD1-NH1 3.79Å; D984-R1241 IonicContact OD2-CZ 3.26Å; D984-R1241 VanDerWaalsContact OD2-CZ 3.27Å; D984-R1241 IonicContact OD2-NH1 2.74Å; D984-R1241 PolarHBondContact OD2-NH1 3.26Å; D984-R1241 IonicContact OD2-NH2 3.21Å; D984-R1241 PolarHBondContact OD2-NH2 3.46Å |
| 985 | K | 92.6 | Very high | 91.4 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 173.6 | -70.5 | 172.3 | -168.6 | 170 | 0 | 112.1 | N981 E982 R989 | N981-K985 WeakPolarHBondContact O-CG 3.37Å; N981-K985 PolarHBondContact O-N 2.84Å; E982-K985 PolarHBondContact O-N 2.86Å; E982-K985 IonicContact OE1-NZ 2.81Å; E982-K985 PolarHBondContact OE1-NZ 2.87Å; K985-R989 WeakPolarHBondContact O-CG 3.13Å; K985-R989 PolarHBondContact O-N 3.37Å; K985-R989 VanDerWaalsContact O-N 3.09Å |
| 986 | K | 95.1 | Very high | 91.5 | Very high | 84 Ų | 84 | 71.5 Ų | 71.5 | 37% | 0.365 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 174.8 | -74.5 | 171 | 176.7 | 170.9 | 0 | 111.7 | E982 L983 D984 R989 S990 | E982-K986 WeakPolarHBondContact O-CG 3.46Å; E982-K986 PolarHBondContact O-N 3.17Å; L983-K986 HydrophobicContact CD2-CD 4.49Å; L983-K986 PolarHBondContact O-N 3.48Å; D984-K986 VanDerWaalsContact C-N 3.34Å; D984-K986 PolarHBondContact O-N 3.48Å; K986-R989 PolarHBondContact O-N 3.21Å; K986-S990 WeakPolarHBondContact O-CB 3.27Å; K986-S990 PolarHBondContact O-N 3.15Å |
| 987 | N | 94.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 79.1 Ų | 79.1 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.3 | -51.9 | 174.9 | 179.3 | 49.6 | 0 | 0 | 0 | 110.7 | L983 D984 R989 S990 I991 R1003 D1272 L1333 | L983-N987 WeakPolarHBondContact O-CB 3.33Å; L983-N987 PolarHBondContact O-N 3.02Å; D984-N987 WeakPolarHBondContact O-CB 3.41Å; D984-N987 PolarHBondContact O-N 2.83Å; D984-N987 VanDerWaalsContact O-N 3.17Å; N987-R989 VanDerWaalsContact C-N 3.33Å; N987-R989 PolarHBondContact O-N 3.44Å; N987-S990 WeakPolarHBondContact O-CB 3.34Å; N987-S990 PolarHBondContact O-N 3.47Å; N987-S990 VanDerWaalsContact O-N 3.09Å; N987-S990 PolarHBondContact O-OG 3.29Å; N987-I991 PolarHBondContact O-N 3.14Å; N987-R1003 PolarHBondContact OD1-NH1 3.37Å; N987-D1272 PolarHBondContact ND2-O 2.97Å; N987-L1333 HydrophobicContact CB-CD1 4.49Å |
| 988 | V | 91.4 | Very high | 91.7 | Very high | 43 Ų | 43 | 83.8 Ų | 83.8 | 26% | 0.261 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59 | -41.6 | 177 | 172.2 | 0 | 0 | 0 | 0 | 112 | D984 | D984-V988 WeakPolarHBondContact O-CG2 3.46Å; D984-V988 PolarHBondContact O-N 2.8Å |
| 989 | R | 92.9 | Very high | 91.8 | Very high | 166 Ų | 166 | 82.5 Ų | 82.5 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.3 | -40.3 | 175.8 | -70.8 | 171.1 | -174.2 | 171.9 | 3 | 111.8 | K985 K986 N987 I991 K992 | K985-R989 WeakPolarHBondContact O-CG 3.13Å; K985-R989 PolarHBondContact O-N 3.37Å; K985-R989 VanDerWaalsContact O-N 3.09Å; K986-R989 PolarHBondContact O-N 3.21Å; N987-R989 VanDerWaalsContact C-N 3.33Å; N987-R989 PolarHBondContact O-N 3.44Å; R989-I991 VanDerWaalsContact C-N 3.3Å; R989-I991 PolarHBondContact O-N 3.2Å; R989-K992 PolarHBondContact O-N 3.38Å |
| 990 | S | 91.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 82.1 Ų | 82.1 | 3% | 0.028 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.5 | -34.1 | -179 | 75.3 | 0 | 0 | 0 | 0 | 113.1 | K986 N987 K992 L993 F999 R1003 | K986-S990 WeakPolarHBondContact O-CB 3.27Å; K986-S990 PolarHBondContact O-N 3.15Å; N987-S990 WeakPolarHBondContact O-CB 3.34Å; N987-S990 PolarHBondContact O-N 3.47Å; N987-S990 VanDerWaalsContact O-N 3.09Å; N987-S990 PolarHBondContact O-OG 3.29Å; S990-K992 VanDerWaalsContact C-N 3.29Å; S990-K992 PolarHBondContact O-N 2.96Å; S990-L993 PolarHBondContact O-N 2.96Å; S990-F999 WeakPolarHBondContact O-CD2 3.16Å; S990-R1003 WeakPolarHBondContact OG-CD 3.5Å; S990-R1003 PolarHBondContact OG-NH1 2.78Å |
| 991 | I | 88.9 | Confident | 91.9 | Very high | 60 Ų | 60 | 84.2 Ų | 84.2 | 31% | 0.308 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.9 | -27 | 179.4 | -66.8 | 169.8 | 0 | 0 | 0 | 111.8 | N987 R989 L993 D1272 | N987-I991 PolarHBondContact O-N 3.14Å; R989-I991 VanDerWaalsContact C-N 3.3Å; R989-I991 PolarHBondContact O-N 3.2Å; I991-L993 VanDerWaalsContact C-N 3.3Å; I991-L993 PolarHBondContact O-N 3.27Å; I991-D1272 HydrophobicContact CD1-CB 3.65Å |
| 992 | K | 89.4 | Confident | 92.1 | Very high | 161 Ų | 161 | 81.8 Ų | 81.8 | 70% | 0.7 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6.3 | -178.8 | -64.8 | 177.3 | -177.8 | -176.8 | 0 | 113.9 | R989 S990 K994 | R989-K992 PolarHBondContact O-N 3.38Å; S990-K992 VanDerWaalsContact C-N 3.29Å; S990-K992 PolarHBondContact O-N 2.96Å; K992-K994 PolarHBondContact O-N 2.82Å |
| 993 | L | 89.2 | Confident | 92.1 | Very high | 70 Ų | 70 | 77.7 Ų | 77.7 | 37% | 0.366 | 37% | 0.365 | S | S | . | . | trans | -74.6 | 123.8 | -179.2 | -65.1 | 174.8 | 0 | 0 | 0 | 110.9 | S990 I991 F999 A1002 | S990-L993 PolarHBondContact O-N 2.96Å; I991-L993 VanDerWaalsContact C-N 3.3Å; I991-L993 PolarHBondContact O-N 3.27Å; L993-F999 HydrophobicContact CB-CB 4.16Å; L993-F999 HydrophobicContact CB-CD2 4.41Å; L993-A1002 HydrophobicContact CD1-CB 3.54Å | ||
| 994 | K | 87.5 | Confident | 92.2 | Very high | 211 Ų | 211 | 82 Ų | 82 | 92% | 0.917 | 38% | 0.383 | S | S | * | . | trans | -84 | -33.2 | -179.8 | -62.7 | -175.8 | 179.2 | -178.6 | 0 | 113.6 | K992 K996 | K992-K994 PolarHBondContact O-N 2.82Å; K994-K996 PolarHBondContact O-N 2.89Å | ||
| 995 | D | 93 | Very high | 92.5 | Very high | 80 Ų | 80 | 83.6 Ų | 83.6 | 43% | 0.428 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -71.2 | 123.4 | 179 | 176.9 | -89.3 | 0 | 0 | 0 | 110.5 | H997 K998 F999 | D995-H997 PolarHBondContact O-N 3.14Å; D995-H997 PolarHBondContact OD1-N 3.29Å; D995-H997 VanDerWaalsContact OD1-N 3.1Å; D995-K998 HydrophobicContact CB-CB 4.11Å; D995-K998 HydrophobicContact CB-CD 4.14Å; D995-K998 HydrophobicContact CB-CG 4.29Å; D995-K998 PolarHBondContact O-N 3.01Å; D995-K998 WeakPolarHBondContact OD1-CB 3.29Å; D995-K998 WeakPolarHBondContact OD1-CG 3.48Å; D995-K998 PolarHBondContact OD1-N 3.18Å; D995-F999 WeakPolarHBondContact O-CB 3.35Å; D995-F999 PolarHBondContact O-N 3.35Å |
| 996 | K | 88.6 | Confident | 92.7 | Very high | 156 Ų | 156 | 80.1 Ų | 80.1 | 68% | 0.678 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62 | -38.8 | -172.4 | -174.5 | 179.8 | 176.7 | -173.7 | 0 | 112.9 | K994 W1000 | K994-K996 PolarHBondContact O-N 2.89Å; K996-W1000 VanDerWaalsContact O-CD1 3.26Å; K996-W1000 PolarHBondContact O-N 2.92Å; K996-W1000 VanDerWaalsContact O-N 3.11Å |
| 997 | H | 91.8 | Very high | 92.8 | Very high | 161 Ų | 161 | 77 Ų | 77 | 75% | 0.745 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -71.3 | -48.1 | -179.7 | -78.4 | -78.4 | 0 | 0 | 0 | 111 | D995 F999 W1000 A1001 | D995-H997 PolarHBondContact O-N 3.14Å; D995-H997 PolarHBondContact OD1-N 3.29Å; D995-H997 VanDerWaalsContact OD1-N 3.1Å; H997-F999 VanDerWaalsContact C-N 3.33Å; H997-F999 PolarHBondContact O-N 3.46Å; H997-W1000 PolarHBondContact O-N 2.77Å; H997-A1001 VanDerWaalsContact O-CB 3.29Å; H997-A1001 WeakPolarHBondContact O-CB 3.36Å; H997-A1001 PolarHBondContact O-N 2.82Å |
| 998 | K | 91.7 | Very high | 93 | Very high | 141 Ų | 141 | 79.3 Ų | 79.3 | 61% | 0.613 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63 | -39.7 | 176.1 | -68.1 | 178.4 | -178.3 | 178.3 | 0 | 111.8 | D995 A1002 | D995-K998 HydrophobicContact CB-CB 4.11Å; D995-K998 HydrophobicContact CB-CD 4.14Å; D995-K998 HydrophobicContact CB-CG 4.29Å; D995-K998 PolarHBondContact O-N 3.01Å; D995-K998 WeakPolarHBondContact OD1-CB 3.29Å; D995-K998 WeakPolarHBondContact OD1-CG 3.48Å; D995-K998 PolarHBondContact OD1-N 3.18Å; K998-A1002 VanDerWaalsContact O-CB 3.26Å; K998-A1002 WeakPolarHBondContact O-CB 3.48Å; K998-A1002 PolarHBondContact O-N 3.01Å |
| 999 | F | 91.7 | Very high | 93.3 | Very high | 35 Ų | 35 | 79.9 Ų | 79.9 | 15% | 0.154 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.5 | -60.2 | 174 | 173.6 | -93 | 0 | 0 | 0 | 110.3 | S990 L993 D995 H997 A1001 A1002 R1003 T1274 | S990-F999 WeakPolarHBondContact O-CD2 3.16Å; L993-F999 HydrophobicContact CB-CB 4.16Å; L993-F999 HydrophobicContact CB-CD2 4.41Å; D995-F999 WeakPolarHBondContact O-CB 3.35Å; D995-F999 PolarHBondContact O-N 3.35Å; H997-F999 VanDerWaalsContact C-N 3.33Å; H997-F999 PolarHBondContact O-N 3.46Å; F999-A1001 PolarHBondContact O-N 3.06Å; F999-A1002 PolarHBondContact O-N 3.17Å; F999-R1003 HydrophobicContact CD1-CG 4.09Å; F999-R1003 HydrophobicContact CD2-CG 4.43Å; F999-R1003 HydrophobicContact CE1-CG 3.82Å; F999-R1003 HydrophobicContact CE2-CG 4.2Å; F999-R1003 HydrophobicContact CG-CG 4.39Å; F999-R1003 HydrophobicContact CZ-CG 3.89Å; F999-R1003 VanDerWaalsContact O-CG 3.24Å; F999-R1003 WeakPolarHBondContact O-CG 3.29Å; F999-R1003 PolarHBondContact O-N 2.87Å; F999-T1274 HydrophobicContact CZ-CG2 3.76Å |
| 1000 | W | 93.7 | Very high | 93.5 | Very high | 57 Ų | 57 | 72.1 Ų | 72.1 | 22% | 0.216 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.7 | -39.1 | -177.4 | -78.9 | 109.5 | 0 | 0 | 0 | 112.9 | K996 H997 A1002 R1003 F1004 K1329 L1330 | K996-W1000 VanDerWaalsContact O-CD1 3.26Å; K996-W1000 PolarHBondContact O-N 2.92Å; K996-W1000 VanDerWaalsContact O-N 3.11Å; H997-W1000 PolarHBondContact O-N 2.77Å; W1000-A1002 VanDerWaalsContact C-N 3.34Å; W1000-A1002 PolarHBondContact O-N 3.49Å; W1000-R1003 HydrophobicContact CE3-CB 4.36Å; W1000-R1003 PolarHBondContact O-N 3.05Å; W1000-F1004 HydrophobicContact CB-CD2 4.29Å; W1000-F1004 HydrophobicContact CB-CE2 4.17Å; W1000-F1004 HydrophobicContact CE3-CE2 4.06Å; W1000-F1004 HydrophobicContact CE3-CZ 4.16Å; W1000-F1004 WeakPolarHBondContact O-CB 3.47Å; W1000-F1004 WeakPolarHBondContact O-CD2 3.1Å; W1000-F1004 WeakPolarHBondContact O-CG 2.92Å; W1000-F1004 PolarHBondContact O-N 2.9Å; W1000-K1329 HydrophobicContact CE3-CD 4.45Å; W1000-K1329 HydrophobicContact CH2-CD 3.71Å; W1000-K1329 HydrophobicContact CZ3-CD 3.64Å; W1000-K1329 HydrophobicContact CZ3-CG 4.41Å; W1000-L1330 HydrophobicContact CZ3-CD2 4.46Å |
| 1001 | A | 95 | Very high | 93.8 | Very high | 62 Ų | 62 | 75.8 Ų | 75.8 | 51% | 0.512 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H997 F999 S1005 | H997-A1001 VanDerWaalsContact O-CB 3.29Å; H997-A1001 WeakPolarHBondContact O-CB 3.36Å; H997-A1001 PolarHBondContact O-N 2.82Å; F999-A1001 PolarHBondContact O-N 3.06Å; A1001-S1005 WeakPolarHBondContact O-CB 3.34Å; A1001-S1005 PolarHBondContact O-N 3.16Å |
| 1002 | A | 95.1 | Very high | 94.3 | Very high | 27 Ų | 27 | 78.9 Ų | 78.9 | 22% | 0.223 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L993 K998 F999 W1000 S1005 C1006 | L993-A1002 HydrophobicContact CD1-CB 3.54Å; K998-A1002 VanDerWaalsContact O-CB 3.26Å; K998-A1002 WeakPolarHBondContact O-CB 3.48Å; K998-A1002 PolarHBondContact O-N 3.01Å; F999-A1002 PolarHBondContact O-N 3.17Å; W1000-A1002 VanDerWaalsContact C-N 3.34Å; W1000-A1002 PolarHBondContact O-N 3.49Å; A1002-S1005 WeakPolarHBondContact O-CB 3.39Å; A1002-S1005 PolarHBondContact O-N 2.89Å; A1002-C1006 PolarHBondContact O-N 3.35Å; A1002-C1006 PolarHBondContact O-SG 2.69Å |
| 1003 | R | 94.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.7 | -48 | 177.2 | -66.7 | -60 | -63.1 | 143.1 | -2.7 | 111.9 | N987 S990 F999 W1000 S1005 C1006 D1007 L1330 L1333 | N987-R1003 PolarHBondContact OD1-NH1 3.37Å; S990-R1003 WeakPolarHBondContact OG-CD 3.5Å; S990-R1003 PolarHBondContact OG-NH1 2.78Å; F999-R1003 HydrophobicContact CD1-CG 4.09Å; F999-R1003 HydrophobicContact CD2-CG 4.43Å; F999-R1003 HydrophobicContact CE1-CG 3.82Å; F999-R1003 HydrophobicContact CE2-CG 4.2Å; F999-R1003 HydrophobicContact CG-CG 4.39Å; F999-R1003 HydrophobicContact CZ-CG 3.89Å; F999-R1003 VanDerWaalsContact O-CG 3.24Å; F999-R1003 WeakPolarHBondContact O-CG 3.29Å; F999-R1003 PolarHBondContact O-N 2.87Å; W1000-R1003 HydrophobicContact CE3-CB 4.36Å; W1000-R1003 PolarHBondContact O-N 3.05Å; R1003-S1005 VanDerWaalsContact C-N 3.33Å; R1003-C1006 PolarHBondContact O-N 3.08Å; R1003-D1007 PolarHBondContact O-N 3.09Å; R1003-L1330 HydrophobicContact CB-CD1 3.98Å; R1003-L1330 HydrophobicContact CB-CD2 4.34Å; R1003-L1330 HydrophobicContact CG-CD1 4.5Å; R1003-L1330 VanDerWaalsContact NH2-CD1 3.27Å; R1003-L1333 VanDerWaalsContact CZ-CD2 3.43Å; R1003-L1333 VanDerWaalsContact NH2-CD2 3.32Å |
| 1004 | F | 97 | Very high | 95.1 | Very high | 96 Ų | 96 | 67.9 Ų | 67.9 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.9 | -36.1 | 177.5 | -73.1 | -55.8 | 0 | 0 | 0 | 112.3 | W1000 D1007 A1008 K1329 L1330 | W1000-F1004 HydrophobicContact CB-CD2 4.29Å; W1000-F1004 HydrophobicContact CB-CE2 4.17Å; W1000-F1004 HydrophobicContact CE3-CE2 4.06Å; W1000-F1004 HydrophobicContact CE3-CZ 4.16Å; W1000-F1004 WeakPolarHBondContact O-CB 3.47Å; W1000-F1004 WeakPolarHBondContact O-CD2 3.1Å; W1000-F1004 WeakPolarHBondContact O-CG 2.92Å; W1000-F1004 PolarHBondContact O-N 2.9Å; F1004-D1007 PolarHBondContact O-N 2.95Å; F1004-A1008 WeakPolarHBondContact O-CB 3.42Å; F1004-A1008 PolarHBondContact O-N 3.02Å; F1004-K1329 HydrophobicContact CE1-CG 4.44Å; F1004-K1329 VanDerWaalsContact CZ-CE 3.42Å; F1004-L1330 HydrophobicContact CD1-CD2 3.65Å; F1004-L1330 HydrophobicContact CE1-CD2 3.89Å; F1004-L1330 HydrophobicContact CG-CD2 4.47Å |
| 1005 | S | 97 | Very high | 95.6 | Very high | 57 Ų | 57 | 61.5 Ų | 61.5 | 40% | 0.399 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 171.3 | 166.3 | 0 | 0 | 0 | 0 | 111.9 | A1001 A1002 R1003 D1007 A1008 Q1009 | A1001-S1005 WeakPolarHBondContact O-CB 3.34Å; A1001-S1005 PolarHBondContact O-N 3.16Å; A1002-S1005 WeakPolarHBondContact O-CB 3.39Å; A1002-S1005 PolarHBondContact O-N 2.89Å; R1003-S1005 VanDerWaalsContact C-N 3.33Å; S1005-D1007 VanDerWaalsContact C-N 3.34Å; S1005-A1008 PolarHBondContact O-N 2.79Å; S1005-Q1009 WeakPolarHBondContact O-CB 3.4Å; S1005-Q1009 WeakPolarHBondContact O-CG 3.35Å; S1005-Q1009 PolarHBondContact O-N 3.27Å; S1005-Q1009 PolarHBondContact O-NE2 2.81Å; S1005-Q1009 PolarHBondContact OG-NE2 2.94Å |
| 1006 | C | 96.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 61.4 Ų | 61.4 | 7% | 0.068 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 175.3 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | A1002 R1003 Q1009 M1010 L1333 | A1002-C1006 PolarHBondContact O-N 3.35Å; A1002-C1006 PolarHBondContact O-SG 2.69Å; R1003-C1006 PolarHBondContact O-N 3.08Å; C1006-Q1009 PolarHBondContact O-N 2.85Å; C1006-M1010 WeakPolarHBondContact O-CB 3.36Å; C1006-M1010 PolarHBondContact O-N 3.38Å; C1006-L1333 HydrophobicContact CB-CD2 3.48Å; C1006-L1333 VanDerWaalsContact CB-CD2 3.48Å |
| 1007 | D | 97.7 | Very high | 96.1 | Very high | 20 Ų | 20 | 54 Ų | 54 | 11% | 0.107 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 176.7 | -171.6 | 75.8 | 0 | 0 | 0 | 112.2 | R1003 F1004 S1005 Q1009 M1010 K1011 L1330 K1331 F1332 L1333 | R1003-D1007 PolarHBondContact O-N 3.09Å; F1004-D1007 PolarHBondContact O-N 2.95Å; S1005-D1007 VanDerWaalsContact C-N 3.34Å; D1007-Q1009 VanDerWaalsContact C-N 3.32Å; D1007-Q1009 PolarHBondContact O-N 3.32Å; D1007-M1010 PolarHBondContact O-N 2.65Å; D1007-K1011 PolarHBondContact O-N 2.8Å; D1007-L1330 HydrophobicContact CB-CB 4.35Å; D1007-L1330 HydrophobicContact CB-CD2 4.01Å; D1007-L1330 WeakPolarHBondContact OD1-CA 3.21Å; D1007-L1330 WeakPolarHBondContact OD1-CB 3.46Å; D1007-K1331 PolarHBondContact OD1-N 3.04Å; D1007-F1332 WeakPolarHBondContact OD1-CA 3.42Å; D1007-F1332 PolarHBondContact OD1-N 3.04Å; D1007-L1333 HydrophobicContact CB-CB 4.14Å; D1007-L1333 PolarHBondContact OD1-N 2.95Å |
| 1008 | A | 98.3 | Very high | 96.3 | Very high | 49 Ų | 49 | 47.8 Ų | 47.8 | 41% | 0.405 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1004 S1005 K1012 | F1004-A1008 WeakPolarHBondContact O-CB 3.42Å; F1004-A1008 PolarHBondContact O-N 3.02Å; S1005-A1008 PolarHBondContact O-N 2.79Å; A1008-K1012 WeakPolarHBondContact O-CG 3.25Å; A1008-K1012 PolarHBondContact O-N 2.97Å; A1008-K1012 VanDerWaalsContact O-N 3.13Å |
| 1009 | Q | 98.1 | Very high | 96.4 | Very high | 55 Ų | 55 | 43.8 Ų | 43.8 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.5 | -41 | 174.4 | -75.1 | 173.6 | 61.2 | 0 | 0 | 111.8 | L983 S1005 C1006 D1007 K1011 K1012 F1013 | L983-Q1009 HydrophobicContact CD2-CB 3.59Å; L983-Q1009 HydrophobicContact CD2-CG 4.46Å; S1005-Q1009 WeakPolarHBondContact O-CB 3.4Å; S1005-Q1009 WeakPolarHBondContact O-CG 3.35Å; S1005-Q1009 PolarHBondContact O-N 3.27Å; S1005-Q1009 PolarHBondContact O-NE2 2.81Å; S1005-Q1009 PolarHBondContact OG-NE2 2.94Å; C1006-Q1009 PolarHBondContact O-N 2.85Å; D1007-Q1009 VanDerWaalsContact C-N 3.32Å; D1007-Q1009 PolarHBondContact O-N 3.32Å; Q1009-K1011 VanDerWaalsContact C-N 3.31Å; Q1009-K1011 PolarHBondContact O-N 2.88Å; Q1009-K1012 PolarHBondContact O-N 3.01Å; Q1009-F1013 WeakPolarHBondContact O-CB 3.49Å; Q1009-F1013 PolarHBondContact O-N 2.97Å |
| 1010 | M | 97.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 175.1 | -175.2 | 58.6 | 73 | 0 | 0 | 111.5 | L980 L983 C1006 D1007 F1013 L1014 W1271 F1332 L1333 | L980-M1010 HydrophobicContact CD1-CE 3.93Å; L980-M1010 HydrophobicContact CD1-SD 4.45Å; L983-M1010 HydrophobicContact CB-CE 4.37Å; L983-M1010 HydrophobicContact CD1-CE 4.28Å; L983-M1010 HydrophobicContact CD1-SD 4.43Å; C1006-M1010 WeakPolarHBondContact O-CB 3.36Å; C1006-M1010 PolarHBondContact O-N 3.38Å; D1007-M1010 PolarHBondContact O-N 2.65Å; M1010-F1013 WeakPolarHBondContact O-CB 3.26Å; M1010-F1013 PolarHBondContact O-N 3.39Å; M1010-F1013 HydrophobicContact SD-CD1 3.81Å; M1010-L1014 HydrophobicContact CG-CD1 4.43Å; M1010-L1014 WeakPolarHBondContact O-CG 3.49Å; M1010-L1014 PolarHBondContact O-N 2.85Å; M1010-W1271 HydrophobicContact CE-CH2 4.09Å; M1010-W1271 HydrophobicContact CE-CZ2 3.93Å; M1010-F1332 HydrophobicContact CB-CB 4.24Å; M1010-F1332 HydrophobicContact CG-CB 4.17Å; M1010-F1332 WeakPolarHBondContact CG-O 3.36Å; M1010-L1333 HydrophobicContact CB-CD1 4.49Å; M1010-L1333 HydrophobicContact CE-CD1 4Å |
| 1011 | K | 98.1 | Very high | 96.3 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.3 | -51.9 | 172.4 | -170.6 | -170.5 | -175.8 | -149.7 | 0 | 111.6 | D1007 Q1009 F1013 L1014 E1015 F1332 | D1007-K1011 PolarHBondContact O-N 2.8Å; Q1009-K1011 VanDerWaalsContact C-N 3.31Å; Q1009-K1011 PolarHBondContact O-N 2.88Å; K1011-F1013 VanDerWaalsContact C-N 3.3Å; K1011-F1013 PolarHBondContact O-N 3.23Å; K1011-L1014 PolarHBondContact O-N 3.34Å; K1011-L1014 VanDerWaalsContact O-N 3.17Å; K1011-E1015 WeakPolarHBondContact CE-OE1 3.06Å; K1011-E1015 IonicContact NZ-OE1 3.98Å; K1011-E1015 PolarHBondContact NZ-OE1 2.74Å; K1011-E1015 WeakPolarHBondContact O-CG 3.4Å; K1011-E1015 PolarHBondContact O-N 2.97Å; K1011-F1332 HydrophobicContact CB-CB 4.19Å; K1011-F1332 HydrophobicContact CB-CD1 4.1Å; K1011-F1332 HydrophobicContact CB-CD2 3.63Å; K1011-F1332 HydrophobicContact CB-CE1 4.44Å; K1011-F1332 HydrophobicContact CB-CE2 4.01Å; K1011-F1332 HydrophobicContact CB-CG 3.68Å; K1011-F1332 HydrophobicContact CB-CZ 4.4Å; K1011-F1332 HydrophobicContact CD-CD2 4.09Å; K1011-F1332 HydrophobicContact CD-CE1 4.4Å; K1011-F1332 HydrophobicContact CD-CE2 3.56Å; K1011-F1332 HydrophobicContact CD-CZ 3.74Å; K1011-F1332 HydrophobicContact CG-CD1 3.97Å; K1011-F1332 HydrophobicContact CG-CD2 3.83Å; K1011-F1332 HydrophobicContact CG-CE1 3.83Å; K1011-F1332 HydrophobicContact CG-CE2 3.68Å; K1011-F1332 HydrophobicContact CG-CG 3.97Å; K1011-F1332 HydrophobicContact CG-CZ 3.68Å |
| 1012 | K | 98 | Very high | 96.2 | Very high | 125 Ų | 125 | 41.7 Ų | 41.7 | 54% | 0.543 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.4 | -40.5 | 178.1 | -72.8 | -179.1 | 179.6 | -174.6 | 0 | 112.1 | A1008 Q1009 E1015 H1016 | A1008-K1012 WeakPolarHBondContact O-CG 3.25Å; A1008-K1012 PolarHBondContact O-N 2.97Å; A1008-K1012 VanDerWaalsContact O-N 3.13Å; Q1009-K1012 PolarHBondContact O-N 3.01Å; K1012-E1015 PolarHBondContact O-N 3.15Å; K1012-H1016 WeakPolarHBondContact O-CB 3.4Å; K1012-H1016 VanDerWaalsContact O-CG 3.24Å; K1012-H1016 PolarHBondContact O-N 3.36Å; K1012-H1016 PolarHBondContact O-ND1 2.95Å |
| 1013 | F | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 174.6 | 167.6 | -96 | 0 | 0 | 0 | 111.7 | Y974 A976 E979 L980 L983 Q1009 M1010 K1011 H1016 L1017 L1118 P1119 | Y974-F1013 HydrophobicContact CE1-CE2 4.42Å; Y974-F1013 VanDerWaalsContact OH-CD2 3.32Å; Y974-F1013 WeakPolarHBondContact OH-CD2 3.48Å; A976-F1013 HydrophobicContact CB-CE2 3.97Å; A976-F1013 HydrophobicContact CB-CZ 4.24Å; A976-F1013 VanDerWaalsContact O-CE2 3.27Å; A976-F1013 WeakPolarHBondContact O-CE2 3.41Å; E979-F1013 HydrophobicContact CB-CD2 4.21Å; E979-F1013 HydrophobicContact CB-CE2 4.35Å; E979-F1013 HydrophobicContact CG-CD2 4.02Å; L980-F1013 HydrophobicContact CB-CE1 4.49Å; L980-F1013 HydrophobicContact CB-CE2 4.07Å; L980-F1013 HydrophobicContact CB-CZ 3.86Å; L980-F1013 HydrophobicContact CD1-CE1 4.1Å; L980-F1013 HydrophobicContact CD1-CZ 4.3Å; L980-F1013 HydrophobicContact CD2-CZ 4.5Å; L980-F1013 HydrophobicContact CG-CZ 4.44Å; L983-F1013 HydrophobicContact CD1-CB 3.63Å; L983-F1013 HydrophobicContact CD1-CD2 4.22Å; L983-F1013 HydrophobicContact CD1-CG 3.86Å; Q1009-F1013 WeakPolarHBondContact O-CB 3.49Å; Q1009-F1013 PolarHBondContact O-N 2.97Å; M1010-F1013 WeakPolarHBondContact O-CB 3.26Å; M1010-F1013 PolarHBondContact O-N 3.39Å; M1010-F1013 HydrophobicContact SD-CD1 3.81Å; K1011-F1013 VanDerWaalsContact C-N 3.3Å; K1011-F1013 PolarHBondContact O-N 3.23Å; F1013-H1016 PolarHBondContact O-N 3.01Å; F1013-L1017 HydrophobicContact CE1-CD2 4.32Å; F1013-L1017 HydrophobicContact CZ-CD2 4.42Å; F1013-L1017 VanDerWaalsContact O-CB 3.29Å; F1013-L1017 WeakPolarHBondContact O-CB 3.32Å; F1013-L1017 PolarHBondContact O-N 3.35Å; F1013-L1118 HydrophobicContact CZ-CD2 4.02Å; F1013-P1119 HydrophobicContact CE1-CG 4.11Å |
| 1014 | L | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 176.9 | -69.1 | 167.8 | 0 | 0 | 0 | 112.2 | M1010 K1011 L1017 E1018 P1119 A1122 I1123 F1332 A1336 | M1010-L1014 HydrophobicContact CG-CD1 4.43Å; M1010-L1014 WeakPolarHBondContact O-CG 3.49Å; M1010-L1014 PolarHBondContact O-N 2.85Å; K1011-L1014 PolarHBondContact O-N 3.34Å; K1011-L1014 VanDerWaalsContact O-N 3.17Å; L1014-L1017 PolarHBondContact O-N 3.14Å; L1014-E1018 PolarHBondContact O-N 3.5Å; L1014-P1119 HydrophobicContact CD2-CB 4.36Å; L1014-P1119 HydrophobicContact CD2-CG 3.82Å; L1014-A1122 HydrophobicContact CD1-CB 3.96Å; L1014-A1122 HydrophobicContact CD2-CB 4Å; L1014-I1123 HydrophobicContact CD2-CG2 4.26Å; L1014-F1332 HydrophobicContact CD1-CB 4.41Å; L1014-F1332 HydrophobicContact CD1-CD1 4Å; L1014-A1336 HydrophobicContact CD1-CB 4.37Å |
| 1015 | E | 97.5 | Very high | 95.8 | Very high | 77 Ų | 77 | 41.8 Ų | 41.8 | 36% | 0.36 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 175.4 | -70.1 | 167.4 | 175 | 0 | 0 | 111.3 | K1011 K1012 A1019 | K1011-E1015 WeakPolarHBondContact CE-OE1 3.06Å; K1011-E1015 IonicContact NZ-OE1 3.98Å; K1011-E1015 PolarHBondContact NZ-OE1 2.74Å; K1011-E1015 WeakPolarHBondContact O-CG 3.4Å; K1011-E1015 PolarHBondContact O-N 2.97Å; K1012-E1015 PolarHBondContact O-N 3.15Å; E1015-A1019 VanDerWaalsContact O-CB 3.29Å; E1015-A1019 WeakPolarHBondContact O-CB 3.5Å; E1015-A1019 PolarHBondContact O-N 2.88Å |
| 1016 | H | 96.4 | Very high | 95.6 | Very high | 77 Ų | 77 | 39.7 Ų | 39.7 | 36% | 0.356 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.3 | -42.7 | 175.9 | -69.3 | 153.3 | 0 | 0 | 0 | 112.5 | Y974 K1012 F1013 E1018 A1019 K1020 | Y974-H1016 HydrophobicContact CE1-CB 3.79Å; Y974-H1016 HydrophobicContact CE2-CB 4.41Å; K1012-H1016 WeakPolarHBondContact O-CB 3.4Å; K1012-H1016 VanDerWaalsContact O-CG 3.24Å; K1012-H1016 PolarHBondContact O-N 3.36Å; K1012-H1016 PolarHBondContact O-ND1 2.95Å; F1013-H1016 PolarHBondContact O-N 3.01Å; H1016-E1018 VanDerWaalsContact C-N 3.29Å; H1016-E1018 PolarHBondContact O-N 2.91Å; H1016-A1019 PolarHBondContact O-N 3.15Å; H1016-K1020 WeakPolarHBondContact O-CB 3.45Å; H1016-K1020 VanDerWaalsContact O-CG 3.29Å; H1016-K1020 WeakPolarHBondContact O-CG 3.37Å; H1016-K1020 PolarHBondContact O-N 3.22Å |
| 1017 | L | 95.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.6 | -47.8 | 176.8 | -179.9 | 65.2 | 0 | 0 | 0 | 110.1 | Y974 A976 F1013 L1014 W1021 I1120 I1123 | Y974-L1017 HydrophobicContact CE1-CB 4.45Å; A976-L1017 HydrophobicContact CB-CD1 3.78Å; F1013-L1017 HydrophobicContact CE1-CD2 4.32Å; F1013-L1017 HydrophobicContact CZ-CD2 4.42Å; F1013-L1017 VanDerWaalsContact O-CB 3.29Å; F1013-L1017 WeakPolarHBondContact O-CB 3.32Å; F1013-L1017 PolarHBondContact O-N 3.35Å; L1014-L1017 PolarHBondContact O-N 3.14Å; L1017-W1021 HydrophobicContact CD1-CD2 3.6Å; L1017-W1021 HydrophobicContact CD1-CE3 3.64Å; L1017-W1021 HydrophobicContact CD1-CG 4Å; L1017-W1021 HydrophobicContact CD1-CZ3 4.15Å; L1017-W1021 WeakPolarHBondContact O-CB 3.1Å; L1017-W1021 PolarHBondContact O-N 3.03Å; L1017-I1120 HydrophobicContact CD2-CG1 4.46Å; L1017-I1123 HydrophobicContact CD2-CG2 4.11Å; L1017-I1123 HydrophobicContact CG-CG2 4.49Å |
| 1018 | E | 95.5 | Very high | 95.4 | Very high | 32 Ų | 32 | 38.3 Ų | 38.3 | 15% | 0.15 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -62.1 | -53.4 | 176.5 | -174.7 | 164.1 | -171 | 0 | 0 | 112.5 | L1014 H1016 K1020 F1022 N1023 T1026 I1123 E1124 S1125 | L1014-E1018 PolarHBondContact O-N 3.5Å; H1016-E1018 VanDerWaalsContact C-N 3.29Å; H1016-E1018 PolarHBondContact O-N 2.91Å; E1018-K1020 VanDerWaalsContact C-N 3.32Å; E1018-K1020 PolarHBondContact O-N 3.42Å; E1018-F1022 PolarHBondContact O-N 3.32Å; E1018-F1022 VanDerWaalsContact O-N 3.15Å; E1018-N1023 PolarHBondContact O-N 3.41Å; E1018-T1026 HydrophobicContact CG-CG2 3.86Å; E1018-I1123 HydrophobicContact CB-CB 4.12Å; E1018-I1123 HydrophobicContact CB-CG2 4.35Å; E1018-I1123 HydrophobicContact CG-CB 4.5Å; E1018-I1123 HydrophobicContact CG-CD1 4.39Å; E1018-E1124 WeakPolarHBondContact OE2-CA 2.89Å; E1018-E1124 WeakPolarHBondContact OE2-CB 3.46Å; E1018-E1124 PolarHBondContact OE2-N 3.02Å; E1018-S1125 WeakPolarHBondContact OE1-CB 3.33Å; E1018-S1125 PolarHBondContact OE1-N 2.87Å; E1018-S1125 PolarHBondContact OE1-OG 3.34Å |
| 1019 | A | 93.9 | Very high | 95.3 | Very high | 56 Ų | 56 | 36 Ų | 36 | 46% | 0.463 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -65.5 | -33.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1015 H1016 N1023 | E1015-A1019 VanDerWaalsContact O-CB 3.29Å; E1015-A1019 WeakPolarHBondContact O-CB 3.5Å; E1015-A1019 PolarHBondContact O-N 2.88Å; H1016-A1019 PolarHBondContact O-N 3.15Å; A1019-N1023 WeakPolarHBondContact O-CB 2.92Å |
| 1020 | K | 93.1 | Very high | 95.1 | Very high | 91 Ų | 91 | 35 Ų | 35 | 40% | 0.396 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -93.9 | -41.2 | -172.7 | -65.5 | -171.3 | -176.4 | -177.4 | 0 | 113.5 | V973 Y974 H1016 E1018 | V973-K1020 HydrophobicContact CG1-CB 3.96Å; Y974-K1020 HydrophobicContact CD1-CB 4.25Å; Y974-K1020 HydrophobicContact CD1-CD 4.03Å; Y974-K1020 HydrophobicContact CD2-CD 3.8Å; Y974-K1020 HydrophobicContact CG-CB 4.27Å; Y974-K1020 HydrophobicContact CG-CD 3.51Å; H1016-K1020 WeakPolarHBondContact O-CB 3.45Å; H1016-K1020 VanDerWaalsContact O-CG 3.29Å; H1016-K1020 WeakPolarHBondContact O-CG 3.37Å; H1016-K1020 PolarHBondContact O-N 3.22Å; E1018-K1020 VanDerWaalsContact C-N 3.32Å; E1018-K1020 PolarHBondContact O-N 3.42Å |
| 1021 | W | 91.8 | Very high | 94.9 | Very high | 14 Ų | 14 | 35.4 Ų | 35.4 | 5% | 0.053 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -86.7 | -35.5 | -179.5 | -75.3 | 13.5 | 0 | 0 | 0 | 113.2 | L951 A970 F971 Y974 A976 L1017 L1115 L1118 | L951-W1021 HydrophobicContact CD2-CB 4.28Å; L951-W1021 HydrophobicContact CD2-CD2 4.08Å; L951-W1021 HydrophobicContact CD2-CE3 3.63Å; L951-W1021 HydrophobicContact CD2-CG 4.4Å; L951-W1021 HydrophobicContact CD2-CZ3 4.2Å; A970-W1021 HydrophobicContact CB-CZ2 3.96Å; A970-W1021 PolarHBondContact O-NE1 3.29Å; F971-W1021 HydrophobicContact CD1-CZ2 4.48Å; F971-W1021 HydrophobicContact CE1-CZ2 4.13Å; Y974-W1021 PolarHBondContact O-NE1 2.93Å; A976-W1021 HydrophobicContact CB-CH2 4.33Å; A976-W1021 HydrophobicContact CB-CZ2 3.73Å; L1017-W1021 HydrophobicContact CD1-CD2 3.6Å; L1017-W1021 HydrophobicContact CD1-CE3 3.64Å; L1017-W1021 HydrophobicContact CD1-CG 4Å; L1017-W1021 HydrophobicContact CD1-CZ3 4.15Å; L1017-W1021 WeakPolarHBondContact O-CB 3.1Å; L1017-W1021 PolarHBondContact O-N 3.03Å; W1021-L1115 HydrophobicContact CH2-CD2 3.63Å; W1021-L1115 HydrophobicContact CZ3-CD2 3.84Å; W1021-L1118 HydrophobicContact CH2-CD1 3.61Å; W1021-L1118 HydrophobicContact CZ3-CD1 3.44Å; W1021-L1118 VanDerWaalsContact CZ3-CD1 3.44Å |
| 1022 | F | 92.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 2% | 0.022 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -112.4 | -44.7 | -171.9 | -53.9 | -63.7 | 0 | 0 | 0 | 112.3 | L940 L951 L967 E1018 V1024 M1025 T1026 L1029 I1123 | L940-F1022 HydrophobicContact CD1-CE1 4.2Å; L940-F1022 HydrophobicContact CD1-CZ 3.97Å; L940-F1022 HydrophobicContact CD2-CE1 4.29Å; L951-F1022 HydrophobicContact CD2-CE1 4.18Å; L967-F1022 HydrophobicContact CD1-CD1 3.91Å; L967-F1022 HydrophobicContact CD1-CE1 4.06Å; E1018-F1022 PolarHBondContact O-N 3.32Å; E1018-F1022 VanDerWaalsContact O-N 3.15Å; F1022-V1024 PolarHBondContact O-N 3Å; F1022-M1025 WeakPolarHBondContact O-CA 3.49Å; F1022-M1025 WeakPolarHBondContact O-CB 3.45Å; F1022-M1025 PolarHBondContact O-N 3.24Å; F1022-T1026 HydrophobicContact CB-CG2 3.72Å; F1022-L1029 HydrophobicContact CB-CD1 4.46Å; F1022-L1029 HydrophobicContact CD1-CD1 3.81Å; F1022-L1029 HydrophobicContact CD1-CD2 4.32Å; F1022-L1029 HydrophobicContact CD1-CG 4.39Å; F1022-L1029 HydrophobicContact CD2-CD1 3.91Å; F1022-L1029 HydrophobicContact CE1-CD1 3.95Å; F1022-L1029 HydrophobicContact CE1-CD2 4.05Å; F1022-L1029 HydrophobicContact CE2-CD1 4.06Å; F1022-L1029 HydrophobicContact CG-CD1 3.79Å; F1022-L1029 HydrophobicContact CZ-CD1 4.08Å; F1022-I1123 HydrophobicContact CD2-CD1 4.06Å; F1022-I1123 HydrophobicContact CE2-CD1 4.21Å |
| 1023 | N | 90.5 | Very high | 94 | Very high | 104 Ų | 104 | 27.1 Ų | 27.1 | 56% | 0.556 | 14% | 0.141 | S | C | * | . | G | 310 helix | trans | 48 | -121.5 | -179.4 | -168.1 | -2 | 0 | 0 | 0 | 111.6 | E1018 A1019 M1025 T1026 | E1018-N1023 PolarHBondContact O-N 3.41Å; A1019-N1023 WeakPolarHBondContact O-CB 2.92Å; N1023-M1025 PolarHBondContact O-N 3.44Å; N1023-T1026 WeakPolarHBondContact O-CG2 3.3Å; N1023-T1026 PolarHBondContact O-OG1 2.94Å |
| 1024 | V | 91.6 | Very high | 93.5 | Very high | 15 Ų | 15 | 28.2 Ų | 28.2 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -70.9 | -8.3 | 178.2 | -61.3 | 0 | 0 | 0 | 0 | 113.6 | F1022 P1027 A1072 F1073 | F1022-V1024 PolarHBondContact O-N 3Å; V1024-P1027 VanDerWaalsContact O-CD 3.28Å; V1024-P1027 WeakPolarHBondContact O-CD 3.29Å; V1024-A1072 HydrophobicContact CG1-CB 4.1Å; V1024-A1072 HydrophobicContact CG2-CB 4.35Å; V1024-F1073 HydrophobicContact CB-CB 4.3Å; V1024-F1073 WeakPolarHBondContact O-CD2 3.39Å |
| 1025 | M | 94.4 | Very high | 92.7 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -88.7 | 1.2 | -179.3 | -57.2 | -49.6 | -54.5 | 0 | 0 | 114.4 | L967 F1022 N1023 P1027 L1028 F1073 Q1076 L1077 | L967-M1025 HydrophobicContact CD2-CB 4.07Å; L967-M1025 HydrophobicContact CD2-CG 4.08Å; F1022-M1025 WeakPolarHBondContact O-CA 3.49Å; F1022-M1025 WeakPolarHBondContact O-CB 3.45Å; F1022-M1025 PolarHBondContact O-N 3.24Å; N1023-M1025 PolarHBondContact O-N 3.44Å; M1025-P1027 VanDerWaalsContact C-N 3.26Å; M1025-P1027 VanDerWaalsContact O-N 3.15Å; M1025-L1028 HydrophobicContact CE-CD1 3.29Å; M1025-L1028 HydrophobicContact CE-CD2 4.41Å; M1025-L1028 HydrophobicContact CE-CG 3.74Å; M1025-L1028 WeakPolarHBondContact O-CB 3.24Å; M1025-L1028 PolarHBondContact O-N 3.04Å; M1025-F1073 HydrophobicContact CE-CD2 3.58Å; M1025-F1073 HydrophobicContact CE-CE2 3.41Å; M1025-F1073 VanDerWaalsContact CE-CE2 3.41Å; M1025-F1073 HydrophobicContact SD-CD2 3.56Å; M1025-F1073 VanDerWaalsContact SD-CD2 3.56Å; M1025-F1073 HydrophobicContact SD-CE2 4.05Å; M1025-Q1076 HydrophobicContact SD-CB 4.07Å; M1025-Q1076 VanDerWaalsContact SD-CD 3.59Å; M1025-Q1076 HydrophobicContact SD-CG 4.32Å; M1025-Q1076 PolarHBondContact SD-OE1 2.79Å; M1025-L1077 HydrophobicContact CE-CD2 4.03Å; M1025-L1077 HydrophobicContact CE-CG 4.35Å |
| 1026 | T | 93.9 | Very high | 92 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 9% | 0.086 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -52.1 | -29.6 | 175.7 | 50.6 | 0 | 0 | 0 | 0 | 115.5 | E1018 F1022 N1023 L1028 L1029 | E1018-T1026 HydrophobicContact CG-CG2 3.86Å; F1022-T1026 HydrophobicContact CB-CG2 3.72Å; N1023-T1026 WeakPolarHBondContact O-CG2 3.3Å; N1023-T1026 PolarHBondContact O-OG1 2.94Å; T1026-L1028 PolarHBondContact O-N 2.88Å; T1026-L1028 VanDerWaalsContact O-N 3.15Å; T1026-L1029 WeakPolarHBondContact O-CB 3.02Å; T1026-L1029 PolarHBondContact O-N 3.08Å |
| 1027 | P | 94.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -61.4 | -22.2 | 174.7 | -25.1 | 36.2 | 0 | 0 | 0 | 114.4 | R955 V1024 M1025 L1029 R1030 L1064 L1065 F1073 | R955-P1027 PolarHBondContact NH1-O 3.36Å; V1024-P1027 VanDerWaalsContact O-CD 3.28Å; V1024-P1027 WeakPolarHBondContact O-CD 3.29Å; M1025-P1027 VanDerWaalsContact C-N 3.26Å; M1025-P1027 VanDerWaalsContact O-N 3.15Å; P1027-L1029 PolarHBondContact O-N 3.25Å; P1027-R1030 PolarHBondContact O-N 3.45Å; P1027-L1064 HydrophobicContact CB-CD1 4.24Å; P1027-L1064 HydrophobicContact CG-CB 4.45Å; P1027-L1065 HydrophobicContact CG-CD1 3.59Å; P1027-L1065 HydrophobicContact CG-CD2 4.02Å; P1027-L1065 HydrophobicContact CG-CG 3.65Å; P1027-F1073 HydrophobicContact CB-CE2 4.14Å; P1027-F1073 HydrophobicContact CB-CZ 3.99Å; P1027-F1073 HydrophobicContact CG-CD2 4.38Å; P1027-F1073 HydrophobicContact CG-CE2 4.16Å; P1027-F1073 HydrophobicContact CG-CZ 4.3Å |
| 1028 | L | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -68.4 | -25.1 | 176.3 | -63.1 | -173.4 | 0 | 0 | 0 | 112.6 | L953 R955 L963 V965 M1025 T1026 R1030 A1057 F1073 L1077 | L953-L1028 HydrophobicContact CD1-CB 3.75Å; L953-L1028 HydrophobicContact CD1-CD1 4.3Å; L953-L1028 HydrophobicContact CD2-CB 4.21Å; L953-L1028 HydrophobicContact CD2-CD1 4.33Å; R955-L1028 PolarHBondContact NH1-O 2.86Å; L963-L1028 HydrophobicContact CD2-CD2 3.93Å; V965-L1028 HydrophobicContact CB-CD1 4.12Å; V965-L1028 HydrophobicContact CG1-CD1 4.23Å; V965-L1028 HydrophobicContact CG2-CD1 3.81Å; M1025-L1028 HydrophobicContact CE-CD1 3.29Å; M1025-L1028 HydrophobicContact CE-CD2 4.41Å; M1025-L1028 HydrophobicContact CE-CG 3.74Å; M1025-L1028 WeakPolarHBondContact O-CB 3.24Å; M1025-L1028 PolarHBondContact O-N 3.04Å; T1026-L1028 PolarHBondContact O-N 2.88Å; T1026-L1028 VanDerWaalsContact O-N 3.15Å; L1028-R1030 PolarHBondContact O-N 2.94Å; L1028-A1057 HydrophobicContact CD2-CB 3.82Å; L1028-F1073 HydrophobicContact CD2-CE2 4.14Å; L1028-F1073 HydrophobicContact CD2-CZ 4.15Å; L1028-F1073 HydrophobicContact CG-CE2 4.13Å; L1028-L1077 HydrophobicContact CD2-CD1 4.48Å |
| 1029 | L | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -80.8 | -3.2 | 178.7 | -54.8 | 177.7 | 0 | 0 | 0 | 112.8 | V938 L940 L953 F1022 T1026 P1027 F1109 I1123 L1126 | V938-L1029 HydrophobicContact CG1-CD2 4.13Å; L940-L1029 HydrophobicContact CD2-CD2 4.19Å; L953-L1029 HydrophobicContact CD1-CD2 3.67Å; F1022-L1029 HydrophobicContact CB-CD1 4.46Å; F1022-L1029 HydrophobicContact CD1-CD1 3.81Å; F1022-L1029 HydrophobicContact CD1-CD2 4.32Å; F1022-L1029 HydrophobicContact CD1-CG 4.39Å; F1022-L1029 HydrophobicContact CD2-CD1 3.91Å; F1022-L1029 HydrophobicContact CE1-CD1 3.95Å; F1022-L1029 HydrophobicContact CE1-CD2 4.05Å; F1022-L1029 HydrophobicContact CE2-CD1 4.06Å; F1022-L1029 HydrophobicContact CG-CD1 3.79Å; F1022-L1029 HydrophobicContact CZ-CD1 4.08Å; T1026-L1029 WeakPolarHBondContact O-CB 3.02Å; T1026-L1029 PolarHBondContact O-N 3.08Å; P1027-L1029 PolarHBondContact O-N 3.25Å; L1029-F1109 HydrophobicContact CB-CZ 4.35Å; L1029-F1109 HydrophobicContact CD2-CE1 4.14Å; L1029-F1109 HydrophobicContact CD2-CZ 4.49Å; L1029-I1123 HydrophobicContact CD1-CD1 3.93Å; L1029-L1126 HydrophobicContact CB-CD1 4.33Å; L1029-L1126 HydrophobicContact CB-CD2 4.05Å; L1029-L1126 HydrophobicContact CD1-CD1 4.26Å |
| 1030 | R | 93.5 | Very high | 90.7 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 13% | 0.132 | 19% | 0.191 | C | C | . | . | trans | -132.1 | 150.3 | -169.9 | -66.4 | 178.1 | 69.7 | -166.3 | -6.4 | 112.6 | R955 P1027 L1028 N1060 L1064 N1104 S1125 L1126 T1129 | R955-R1030 PolarHBondContact NH1-O 3.22Å; R955-R1030 PolarHBondContact NH2-O 3.38Å; P1027-R1030 PolarHBondContact O-N 3.45Å; L1028-R1030 PolarHBondContact O-N 2.94Å; R1030-N1060 PolarHBondContact O-ND2 3.34Å; R1030-L1064 HydrophobicContact CB-CD1 3.88Å; R1030-N1104 PolarHBondContact NH2-OD1 3.28Å; R1030-S1125 WeakPolarHBondContact CD-O 3.45Å; R1030-S1125 VanDerWaalsContact CZ-O 3.26Å; R1030-S1125 PolarHBondContact NE-O 3.32Å; R1030-S1125 VanDerWaalsContact NE-O 3.16Å; R1030-S1125 PolarHBondContact NH1-O 2.75Å; R1030-L1126 HydrophobicContact CG-CD2 3.43Å; R1030-L1126 VanDerWaalsContact CG-CD2 3.43Å; R1030-T1129 HydrophobicContact CG-CG2 4.46Å; R1030-T1129 PolarHBondContact NE-OG1 3.1Å | ||
| 1031 | H | 93.6 | Very high | 90.6 | Very high | 11 Ų | 11 | 32.8 Ų | 32.8 | 5% | 0.051 | 18% | 0.175 | C | C | . | . | trans | -126.5 | 128.3 | 168.8 | -173.6 | 56.4 | 0 | 0 | 0 | 109 | T936 R959 E1056 N1060 E1105 I1107 | T936-H1031 WeakPolarHBondContact OG1-CB 3.17Å; R959-H1031 VanDerWaalsContact CZ-NE2 3.31Å; R959-H1031 PolarHBondContact NE-NE2 2.78Å; R959-H1031 PolarHBondContact NH2-CE1 3.49Å; R959-H1031 PolarHBondContact NH2-ND1 2.96Å; R959-H1031 PolarHBondContact NH2-NE2 2.71Å; H1031-E1056 IonicContact CE1-OE1 3.95Å; H1031-E1056 IonicContact CE1-OE2 3.12Å; H1031-E1056 IonicContact ND1-OE1 3.37Å; H1031-E1056 PolarHBondContact ND1-OE1 2.91Å; H1031-N1060 WeakPolarHBondContact CA-ND2 3.35Å; H1031-E1105 HydrophobicContact CB-CB 4.3Å; H1031-E1105 PolarHBondContact O-N 2.99Å; H1031-I1107 HydrophobicContact CB-CD1 4Å | ||
| 1032 | V | 91.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 144.4 | 175.7 | -74.1 | 0 | 0 | 0 | 0 | 107.7 | L1037 N1060 F1063 L1064 V1102 T1103 | V1032-L1037 HydrophobicContact CB-CD1 4.44Å; V1032-L1037 HydrophobicContact CG2-CD1 4.03Å; V1032-N1060 HydrophobicContact CG2-CB 4.13Å; V1032-N1060 PolarHBondContact O-OD1 2.86Å; V1032-F1063 HydrophobicContact CG2-CD1 4.36Å; V1032-L1064 HydrophobicContact CG1-CD2 4.04Å; V1032-L1064 HydrophobicContact CG2-CG 4.45Å; V1032-V1102 HydrophobicContact CB-CG1 3.53Å; V1032-V1102 HydrophobicContact CG1-CG1 3.95Å; V1032-V1102 HydrophobicContact CG2-CG1 4.31Å; V1032-T1103 WeakPolarHBondContact CA-O 3.27Å |
| 1033 | S | 87.9 | Confident | 90.6 | Very high | 27 Ų | 27 | 39 Ų | 39 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.7 | -176.5 | 58 | 0 | 0 | 0 | 0 | 110.1 | T1103 E1105 | S1033-T1103 PolarHBondContact N-O 2.95Å; S1033-T1103 VanDerWaalsContact N-O 3.12Å; S1033-T1103 PolarHBondContact O-N 3.01Å; S1033-T1103 VanDerWaalsContact O-N 3.13Å; S1033-T1103 PolarHBondContact O-OG1 3.14Å; S1033-T1103 VanDerWaalsContact O-OG1 3.1Å; S1033-T1103 PolarHBondContact OG-OG1 3.01Å; S1033-E1105 VanDerWaalsContact OG-CD 3.3Å; S1033-E1105 VanDerWaalsContact OG-CG 3.22Å; S1033-E1105 WeakPolarHBondContact OG-CG 3.28Å; S1033-E1105 PolarHBondContact OG-OE1 3.37Å |
| 1034 | S | 85.9 | Confident | 90.7 | Very high | 24 Ų | 24 | 34 Ų | 34 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | trans | -165 | 164.9 | 167.6 | 88.6 | 0 | 0 | 0 | 0 | 108.7 | T1036 L1037 Q1038 E1100 | S1034-T1036 PolarHBondContact OG-N 3.21Å; S1034-L1037 PolarHBondContact O-N 3.46Å; S1034-L1037 VanDerWaalsContact OG-CG 3.3Å; S1034-L1037 WeakPolarHBondContact OG-CG 3.45Å; S1034-L1037 PolarHBondContact OG-N 2.76Å; S1034-L1037 VanDerWaalsContact OG-N 3.13Å; S1034-Q1038 PolarHBondContact O-N 3.09Å; S1034-E1100 WeakPolarHBondContact CB-OE1 3.32Å; S1034-E1100 PolarHBondContact OG-OE1 3.11Å | ||
| 1035 | E | 82 | Confident | 90.8 | Very high | 179 Ų | 179 | 36 Ų | 36 | 84% | 0.836 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -63.8 | -41.7 | 177.7 | -68.5 | -175.8 | 174 | 0 | 0 | 111.5 | L1037 Q1038 S1039 | E1035-L1037 PolarHBondContact O-N 3.37Å; E1035-Q1038 PolarHBondContact O-N 2.79Å; E1035-S1039 PolarHBondContact O-N 3.49Å |
| 1036 | T | 83.5 | Confident | 90.7 | Very high | 54 Ų | 54 | 41.9 Ų | 41.9 | 33% | 0.331 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.7 | -44 | 176.3 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | S1034 Q1038 S1039 V1040 E1100 | S1034-T1036 PolarHBondContact OG-N 3.21Å; T1036-Q1038 VanDerWaalsContact C-N 3.25Å; T1036-Q1038 PolarHBondContact O-N 3.17Å; T1036-S1039 PolarHBondContact O-N 3.37Å; T1036-V1040 HydrophobicContact CG2-CG2 4.31Å; T1036-V1040 VanDerWaalsContact O-CG2 3.29Å; T1036-V1040 WeakPolarHBondContact O-CG2 3.43Å; T1036-V1040 PolarHBondContact O-N 3.05Å; T1036-E1100 WeakPolarHBondContact CB-OE1 3.48Å; T1036-E1100 WeakPolarHBondContact CB-OE2 3.16Å; T1036-E1100 PolarHBondContact N-OE1 3.3Å; T1036-E1100 PolarHBondContact OG1-OE1 3.11Å; T1036-E1100 PolarHBondContact OG1-OE2 3.39Å |
| 1037 | L | 87.1 | Confident | 90.6 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -34.6 | 179.8 | -66.3 | 176.8 | 0 | 0 | 0 | 111.8 | V1032 S1034 E1035 K1041 V1059 F1063 V1102 | V1032-L1037 HydrophobicContact CB-CD1 4.44Å; V1032-L1037 HydrophobicContact CG2-CD1 4.03Å; S1034-L1037 PolarHBondContact O-N 3.46Å; S1034-L1037 VanDerWaalsContact OG-CG 3.3Å; S1034-L1037 WeakPolarHBondContact OG-CG 3.45Å; S1034-L1037 PolarHBondContact OG-N 2.76Å; S1034-L1037 VanDerWaalsContact OG-N 3.13Å; E1035-L1037 PolarHBondContact O-N 3.37Å; L1037-K1041 WeakPolarHBondContact O-CB 3.43Å; L1037-K1041 PolarHBondContact O-N 3.39Å; L1037-V1059 HydrophobicContact CB-CG1 3.69Å; L1037-V1059 HydrophobicContact CD2-CG1 3.45Å; L1037-V1059 VanDerWaalsContact CD2-CG1 3.45Å; L1037-V1059 HydrophobicContact CG-CG1 4.06Å; L1037-F1063 HydrophobicContact CD2-CB 4.11Å; L1037-F1063 HydrophobicContact CD2-CD2 4.37Å; L1037-F1063 HydrophobicContact CD2-CG 4.43Å; L1037-V1102 HydrophobicContact CD1-CG1 4.07Å; L1037-V1102 HydrophobicContact CD1-CG2 4.35Å |
| 1038 | Q | 88.4 | Confident | 90.4 | Very high | 88 Ų | 88 | 50.8 Ų | 50.8 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.4 | -44 | 176.1 | -177.1 | 57.8 | 31.1 | 0 | 0 | 111.9 | S1034 E1035 T1036 V1040 K1041 E1042 | S1034-Q1038 PolarHBondContact O-N 3.09Å; E1035-Q1038 PolarHBondContact O-N 2.79Å; T1036-Q1038 VanDerWaalsContact C-N 3.25Å; T1036-Q1038 PolarHBondContact O-N 3.17Å; Q1038-V1040 PolarHBondContact O-N 3.38Å; Q1038-K1041 WeakPolarHBondContact O-CB 3.46Å; Q1038-K1041 PolarHBondContact O-N 2.84Å; Q1038-E1042 PolarHBondContact NE2-OE1 3.05Å; Q1038-E1042 PolarHBondContact O-N 2.87Å; Q1038-E1042 VanDerWaalsContact O-N 3.13Å |
| 1039 | S | 88.4 | Confident | 90.2 | Very high | 75 Ų | 75 | 56.1 Ų | 56.1 | 52% | 0.524 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | E1035 T1036 K1041 E1042 E1043 | E1035-S1039 PolarHBondContact O-N 3.49Å; T1036-S1039 PolarHBondContact O-N 3.37Å; S1039-K1041 VanDerWaalsContact C-N 3.32Å; S1039-K1041 PolarHBondContact O-N 2.99Å; S1039-E1042 PolarHBondContact O-N 2.95Å; S1039-E1043 PolarHBondContact O-N 3.43Å |
| 1040 | V | 89.8 | Confident | 89.9 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.8 | -36.6 | 178 | 176 | 0 | 0 | 0 | 0 | 111.6 | T1036 Q1038 E1043 L1044 V1059 L1090 A1094 | T1036-V1040 HydrophobicContact CG2-CG2 4.31Å; T1036-V1040 VanDerWaalsContact O-CG2 3.29Å; T1036-V1040 WeakPolarHBondContact O-CG2 3.43Å; T1036-V1040 PolarHBondContact O-N 3.05Å; Q1038-V1040 PolarHBondContact O-N 3.38Å; V1040-E1043 PolarHBondContact O-N 3.3Å; V1040-L1044 HydrophobicContact CG1-CD1 4.34Å; V1040-L1044 WeakPolarHBondContact O-CG 3.42Å; V1040-L1044 PolarHBondContact O-N 3.45Å; V1040-V1059 HydrophobicContact CB-CG2 4.48Å; V1040-V1059 HydrophobicContact CG1-CG2 4Å; V1040-L1090 HydrophobicContact CG1-CD2 3.35Å; V1040-A1094 HydrophobicContact CG1-CB 4.21Å; V1040-A1094 HydrophobicContact CG2-CB 3.88Å |
| 1041 | K | 91.6 | Very high | 89.8 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 6% | 0.057 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 174.9 | 178.7 | -178.1 | 171.5 | 180 | 0 | 111.1 | L1037 Q1038 S1039 L1044 I1045 S1052 A1055 E1056 V1059 | L1037-K1041 WeakPolarHBondContact O-CB 3.43Å; L1037-K1041 PolarHBondContact O-N 3.39Å; Q1038-K1041 WeakPolarHBondContact O-CB 3.46Å; Q1038-K1041 PolarHBondContact O-N 2.84Å; S1039-K1041 VanDerWaalsContact C-N 3.32Å; S1039-K1041 PolarHBondContact O-N 2.99Å; K1041-L1044 PolarHBondContact O-N 3.48Å; K1041-I1045 HydrophobicContact CG-CD1 4.08Å; K1041-I1045 VanDerWaalsContact O-CG1 3.29Å; K1041-I1045 WeakPolarHBondContact O-CG1 3.11Å; K1041-I1045 PolarHBondContact O-N 3.3Å; K1041-I1045 VanDerWaalsContact O-N 3.09Å; K1041-S1052 WeakPolarHBondContact CE-O 3.5Å; K1041-S1052 WeakPolarHBondContact CE-OG 3.09Å; K1041-S1052 PolarHBondContact NZ-OG 3.22Å; K1041-A1055 HydrophobicContact CG-CB 4.08Å; K1041-E1056 HydrophobicContact CD-CB 4.13Å; K1041-E1056 IonicContact NZ-OE2 2.75Å; K1041-E1056 PolarHBondContact NZ-OE2 2.9Å; K1041-V1059 HydrophobicContact CB-CG2 4.02Å |
| 1042 | E | 92.6 | Very high | 89.8 | Confident | 111 Ų | 111 | 59 Ų | 59 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 178.5 | -71.3 | 169.8 | -166.8 | 0 | 0 | 111.6 | Q1038 S1039 L1044 I1045 D1046 | Q1038-E1042 PolarHBondContact NE2-OE1 3.05Å; Q1038-E1042 PolarHBondContact O-N 2.87Å; Q1038-E1042 VanDerWaalsContact O-N 3.13Å; S1039-E1042 PolarHBondContact O-N 2.95Å; E1042-L1044 PolarHBondContact O-N 2.85Å; E1042-I1045 PolarHBondContact O-N 3.46Å; E1042-D1046 PolarHBondContact O-N 3.15Å |
| 1043 | E | 91.4 | Very high | 89.9 | Confident | 38 Ų | 38 | 59.4 Ų | 59.4 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -39 | 176.2 | -170.4 | -178.1 | -160.6 | 0 | 0 | 112.6 | S1039 V1040 R1047 L1089 T1093 | S1039-E1043 PolarHBondContact O-N 3.43Å; V1040-E1043 PolarHBondContact O-N 3.3Å; E1043-R1047 HydrophobicContact CG-CG 4.41Å; E1043-R1047 WeakPolarHBondContact O-CB 3.35Å; E1043-R1047 WeakPolarHBondContact O-CG 3.4Å; E1043-R1047 PolarHBondContact O-N 3.26Å; E1043-R1047 IonicContact OE1-CZ 2.83Å; E1043-R1047 IonicContact OE1-NE 3.41Å; E1043-R1047 PolarHBondContact OE1-NE 3.43Å; E1043-R1047 IonicContact OE1-NH1 3.15Å; E1043-R1047 PolarHBondContact OE1-NH1 2.91Å; E1043-R1047 VanDerWaalsContact OE1-NH1 3.15Å; E1043-R1047 IonicContact OE1-NH2 2.66Å; E1043-R1047 PolarHBondContact OE1-NH2 2.83Å; E1043-L1089 HydrophobicContact CG-CD2 4.31Å; E1043-T1093 WeakPolarHBondContact OE2-CB 3.45Å; E1043-T1093 WeakPolarHBondContact OE2-CG2 3.36Å; E1043-T1093 PolarHBondContact OE2-OG1 3.37Å |
| 1044 | L | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67 | -38.7 | 176.1 | -78 | 172.8 | 0 | 0 | 0 | 112.7 | V1040 K1041 E1042 F1048 L1050 A1055 V1059 I1086 L1089 L1090 | V1040-L1044 HydrophobicContact CG1-CD1 4.34Å; V1040-L1044 WeakPolarHBondContact O-CG 3.42Å; V1040-L1044 PolarHBondContact O-N 3.45Å; K1041-L1044 PolarHBondContact O-N 3.48Å; E1042-L1044 PolarHBondContact O-N 2.85Å; L1044-F1048 HydrophobicContact CD2-CD2 3.81Å; L1044-F1048 HydrophobicContact CD2-CE2 3.86Å; L1044-F1048 WeakPolarHBondContact O-CB 3.38Å; L1044-F1048 PolarHBondContact O-N 3.39Å; L1044-L1050 HydrophobicContact CB-CD1 4.47Å; L1044-A1055 HydrophobicContact CB-CB 4.34Å; L1044-V1059 HydrophobicContact CD1-CG2 3.57Å; L1044-I1086 HydrophobicContact CD2-CB 4.44Å; L1044-I1086 HydrophobicContact CD2-CG1 4.02Å; L1044-I1086 HydrophobicContact CD2-CG2 3.94Å; L1044-L1089 HydrophobicContact CD2-CD2 3.82Å; L1044-L1089 HydrophobicContact CG-CD2 4.48Å; L1044-L1090 HydrophobicContact CD1-CD2 4.32Å |
| 1045 | I | 93.2 | Very high | 90.5 | Very high | 57 Ų | 57 | 58.7 Ų | 58.7 | 29% | 0.292 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.7 | -49.2 | 176.9 | -68.3 | 165.9 | 0 | 0 | 0 | 109.5 | K1041 E1042 S1049 A1055 | K1041-I1045 HydrophobicContact CG-CD1 4.08Å; K1041-I1045 VanDerWaalsContact O-CG1 3.29Å; K1041-I1045 WeakPolarHBondContact O-CG1 3.11Å; K1041-I1045 PolarHBondContact O-N 3.3Å; K1041-I1045 VanDerWaalsContact O-N 3.09Å; E1042-I1045 PolarHBondContact O-N 3.46Å; I1045-S1049 WeakPolarHBondContact O-CA 3.29Å; I1045-S1049 PolarHBondContact O-N 3.37Å; I1045-A1055 HydrophobicContact CD1-CB 4.13Å; I1045-A1055 HydrophobicContact CG1-CB 3.53Å |
| 1046 | D | 92.8 | Very high | 91.1 | Very high | 129 Ų | 129 | 50.4 Ų | 50.4 | 69% | 0.69 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.3 | -51.7 | -179.1 | -177.4 | 65.7 | 0 | 0 | 0 | 112 | E1042 | E1042-D1046 PolarHBondContact O-N 3.15Å |
| 1047 | R | 91.9 | Very high | 91.6 | Very high | 145 Ų | 145 | 47.9 Ų | 47.9 | 55% | 0.547 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -74.6 | -30 | -172.3 | -70.2 | -172.9 | 178.6 | -179.1 | 10.5 | 115.3 | E1043 | E1043-R1047 HydrophobicContact CG-CG 4.41Å; E1043-R1047 WeakPolarHBondContact O-CB 3.35Å; E1043-R1047 WeakPolarHBondContact O-CG 3.4Å; E1043-R1047 PolarHBondContact O-N 3.26Å; E1043-R1047 IonicContact OE1-CZ 2.83Å; E1043-R1047 IonicContact OE1-NE 3.41Å; E1043-R1047 PolarHBondContact OE1-NE 3.43Å; E1043-R1047 IonicContact OE1-NH1 3.15Å; E1043-R1047 PolarHBondContact OE1-NH1 2.91Å; E1043-R1047 VanDerWaalsContact OE1-NH1 3.15Å; E1043-R1047 IonicContact OE1-NH2 2.66Å; E1043-R1047 PolarHBondContact OE1-NH2 2.83Å |
| 1048 | F | 91.2 | Very high | 91.9 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -116.8 | 2.9 | -173.9 | -63.6 | -74.7 | 0 | 0 | 0 | 113.5 | L1044 L1050 A1085 I1086 L1089 | L1044-F1048 HydrophobicContact CD2-CD2 3.81Å; L1044-F1048 HydrophobicContact CD2-CE2 3.86Å; L1044-F1048 WeakPolarHBondContact O-CB 3.38Å; L1044-F1048 PolarHBondContact O-N 3.39Å; F1048-L1050 HydrophobicContact CB-CD1 3.89Å; F1048-L1050 HydrophobicContact CB-CG 3.69Å; F1048-L1050 PolarHBondContact O-N 2.95Å; F1048-A1085 HydrophobicContact CE1-CB 3.5Å; F1048-A1085 HydrophobicContact CZ-CB 3.77Å; F1048-I1086 HydrophobicContact CD1-CG1 4.38Å; F1048-I1086 HydrophobicContact CD2-CG1 3.82Å; F1048-I1086 HydrophobicContact CE1-CG1 4.24Å; F1048-I1086 HydrophobicContact CE2-CG1 3.63Å; F1048-I1086 HydrophobicContact CG-CG1 4.19Å; F1048-I1086 HydrophobicContact CZ-CG1 3.87Å; F1048-L1089 HydrophobicContact CE2-CB 4.43Å; F1048-L1089 HydrophobicContact CE2-CD2 3.67Å |
| 1049 | S | 90.1 | Very high | 92.1 | Very high | 112 Ų | 112 | 43.1 Ų | 43.1 | 78% | 0.783 | 24% | 0.235 | S | C | * | . | trans | 50.7 | 37.9 | -175.2 | -50.6 | 0 | 0 | 0 | 0 | 112.2 | I1045 | I1045-S1049 WeakPolarHBondContact O-CA 3.29Å; I1045-S1049 PolarHBondContact O-N 3.37Å | ||
| 1050 | L | 90.8 | Very high | 92.2 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | trans | -77.9 | 143.6 | -179.2 | -69.8 | 171.3 | 0 | 0 | 0 | 110.5 | L1044 F1048 A1055 L1058 V1078 I1086 | L1044-L1050 HydrophobicContact CB-CD1 4.47Å; F1048-L1050 HydrophobicContact CB-CD1 3.89Å; F1048-L1050 HydrophobicContact CB-CG 3.69Å; F1048-L1050 PolarHBondContact O-N 2.95Å; L1050-A1055 HydrophobicContact CB-CB 4.41Å; L1050-L1058 HydrophobicContact CD1-CD1 3.83Å; L1050-V1078 HydrophobicContact CD2-CG1 3.86Å; L1050-I1086 HydrophobicContact CD1-CD1 4.05Å | ||
| 1051 | A | 91.2 | Very high | 92.3 | Very high | 47 Ų | 47 | 39.4 Ų | 39.4 | 39% | 0.388 | 21% | 0.209 | S | C | . | . | trans | -61 | 141.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | N1053 L1054 A1055 | A1051-N1053 WeakPolarHBondContact CB-OD1 3.36Å; A1051-N1053 PolarHBondContact O-N 3.41Å; A1051-N1053 VanDerWaalsContact O-N 3.08Å; A1051-L1054 HydrophobicContact CB-CD1 4.46Å; A1051-L1054 PolarHBondContact O-N 3Å; A1051-A1055 PolarHBondContact O-N 2.75Å | ||
| 1052 | S | 92 | Very high | 92.3 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 27% | 0.266 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -53.8 | -34.1 | -175.1 | 175.5 | 0 | 0 | 0 | 0 | 113.2 | K1041 E1056 | K1041-S1052 WeakPolarHBondContact CE-O 3.5Å; K1041-S1052 WeakPolarHBondContact CE-OG 3.09Å; K1041-S1052 PolarHBondContact NZ-OG 3.22Å; S1052-E1056 WeakPolarHBondContact O-CB 3.35Å; S1052-E1056 PolarHBondContact O-N 2.84Å |
| 1053 | N | 93.7 | Very high | 92 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 6% | 0.059 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.4 | -40 | 178.1 | 60.4 | -5.3 | 0 | 0 | 0 | 113.6 | C960 D961 P962 L963 A1051 A1057 | C960-N1053 HydrophobicContact CB-CB 3.9Å; D961-N1053 WeakPolarHBondContact O-CB 3.45Å; D961-N1053 PolarHBondContact O-ND2 2.79Å; D961-N1053 VanDerWaalsContact O-ND2 3.07Å; P962-N1053 PolarHBondContact O-ND2 3.19Å; L963-N1053 HydrophobicContact CB-CB 4.23Å; A1051-N1053 WeakPolarHBondContact CB-OD1 3.36Å; A1051-N1053 PolarHBondContact O-N 3.41Å; A1051-N1053 VanDerWaalsContact O-N 3.08Å; N1053-A1057 WeakPolarHBondContact O-CB 3.21Å; N1053-A1057 PolarHBondContact O-N 3.37Å |
| 1054 | L | 93.6 | Very high | 91.8 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 19% | 0.188 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.7 | -42.3 | 173.9 | -71.8 | 175.3 | 0 | 0 | 0 | 110.9 | L963 A1051 A1057 L1058 L1077 | L963-L1054 HydrophobicContact CD1-CD2 3.6Å; L963-L1054 HydrophobicContact CD1-CG 4.34Å; A1051-L1054 HydrophobicContact CB-CD1 4.46Å; A1051-L1054 PolarHBondContact O-N 3Å; L1054-A1057 PolarHBondContact O-N 2.8Å; L1054-L1058 WeakPolarHBondContact O-CB 3.45Å; L1054-L1058 VanDerWaalsContact O-CG 3.27Å; L1054-L1058 WeakPolarHBondContact O-CG 3.25Å; L1054-L1058 PolarHBondContact O-N 2.8Å; L1054-L1077 HydrophobicContact CD2-CB 4.43Å |
| 1055 | A | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1041 L1044 I1045 L1050 A1051 A1057 L1058 V1059 | K1041-A1055 HydrophobicContact CG-CB 4.08Å; L1044-A1055 HydrophobicContact CB-CB 4.34Å; I1045-A1055 HydrophobicContact CD1-CB 4.13Å; I1045-A1055 HydrophobicContact CG1-CB 3.53Å; L1050-A1055 HydrophobicContact CB-CB 4.41Å; A1051-A1055 PolarHBondContact O-N 2.75Å; A1055-A1057 PolarHBondContact O-N 2.94Å; A1055-L1058 PolarHBondContact O-N 2.86Å; A1055-V1059 WeakPolarHBondContact O-CG2 3.47Å; A1055-V1059 PolarHBondContact O-N 3.22Å |
| 1056 | E | 93.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.028 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 175.9 | -171.8 | 177.9 | 113.6 | 0 | 0 | 112.5 | R955 R959 H1031 K1041 S1052 L1058 V1059 N1060 | R955-E1056 IonicContact CZ-OE1 3.58Å; R955-E1056 IonicContact NE-OE1 2.77Å; R955-E1056 IonicContact NH2-OE1 3.47Å; R955-E1056 PolarHBondContact NH2-OE1 3.48Å; R959-E1056 IonicContact CZ-OE1 3.59Å; R959-E1056 IonicContact CZ-OE2 3.36Å; R959-E1056 IonicContact NE-OE1 2.98Å; R959-E1056 IonicContact NE-OE2 3.66Å; R959-E1056 PolarHBondContact NE-OE2 3.46Å; R959-E1056 IonicContact NH2-OE1 3.52Å; R959-E1056 PolarHBondContact NH2-OE1 2.99Å; R959-E1056 IonicContact NH2-OE2 2.71Å; H1031-E1056 IonicContact CE1-OE1 3.95Å; H1031-E1056 IonicContact CE1-OE2 3.12Å; H1031-E1056 IonicContact ND1-OE1 3.37Å; H1031-E1056 PolarHBondContact ND1-OE1 2.91Å; K1041-E1056 HydrophobicContact CD-CB 4.13Å; K1041-E1056 IonicContact NZ-OE2 2.75Å; K1041-E1056 PolarHBondContact NZ-OE2 2.9Å; S1052-E1056 WeakPolarHBondContact O-CB 3.35Å; S1052-E1056 PolarHBondContact O-N 2.84Å; E1056-L1058 VanDerWaalsContact C-N 3.31Å; E1056-L1058 PolarHBondContact O-N 2.81Å; E1056-V1059 PolarHBondContact O-N 2.72Å; E1056-N1060 WeakPolarHBondContact O-CB 3.33Å; E1056-N1060 VanDerWaalsContact O-CG 3.26Å; E1056-N1060 PolarHBondContact O-N 3.39Å; E1056-N1060 PolarHBondContact O-OD1 2.79Å |
| 1057 | A | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -39.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L963 L1028 N1053 L1054 A1055 G1061 F1073 L1077 | L963-A1057 HydrophobicContact CD2-CB 3.87Å; L1028-A1057 HydrophobicContact CD2-CB 3.82Å; N1053-A1057 WeakPolarHBondContact O-CB 3.21Å; N1053-A1057 PolarHBondContact O-N 3.37Å; L1054-A1057 PolarHBondContact O-N 2.8Å; A1055-A1057 PolarHBondContact O-N 2.94Å; A1057-G1061 PolarHBondContact O-N 3.48Å; A1057-F1073 WeakPolarHBondContact O-CE1 3.38Å; A1057-F1073 WeakPolarHBondContact O-CZ 3.27Å; A1057-L1077 HydrophobicContact CB-CD1 4.13Å |
| 1058 | L | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.3 | -43 | 177.4 | -72.7 | 165.8 | 0 | 0 | 0 | 112.3 | L1050 L1054 A1055 E1056 G1061 W1062 F1070 F1073 L1077 V1078 I1086 | L1050-L1058 HydrophobicContact CD1-CD1 3.83Å; L1054-L1058 WeakPolarHBondContact O-CB 3.45Å; L1054-L1058 VanDerWaalsContact O-CG 3.27Å; L1054-L1058 WeakPolarHBondContact O-CG 3.25Å; L1054-L1058 PolarHBondContact O-N 2.8Å; A1055-L1058 PolarHBondContact O-N 2.86Å; E1056-L1058 VanDerWaalsContact C-N 3.31Å; E1056-L1058 PolarHBondContact O-N 2.81Å; L1058-G1061 PolarHBondContact O-N 2.92Å; L1058-W1062 PolarHBondContact O-N 3.25Å; L1058-F1070 HydrophobicContact CD2-CE2 4.42Å; L1058-F1070 HydrophobicContact CD2-CZ 4.28Å; L1058-F1070 VanDerWaalsContact O-CE2 3.28Å; L1058-F1070 WeakPolarHBondContact O-CE2 2.98Å; L1058-F1073 HydrophobicContact CD2-CE1 4.35Å; L1058-L1077 HydrophobicContact CD2-CD1 4.32Å; L1058-V1078 HydrophobicContact CD1-CG1 4.09Å; L1058-I1086 HydrophobicContact CD1-CD1 3.99Å |
| 1059 | V | 91.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -46.7 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | L1037 V1040 K1041 L1044 A1055 E1056 G1061 W1062 F1063 | L1037-V1059 HydrophobicContact CB-CG1 3.69Å; L1037-V1059 HydrophobicContact CD2-CG1 3.45Å; L1037-V1059 VanDerWaalsContact CD2-CG1 3.45Å; L1037-V1059 HydrophobicContact CG-CG1 4.06Å; V1040-V1059 HydrophobicContact CB-CG2 4.48Å; V1040-V1059 HydrophobicContact CG1-CG2 4Å; K1041-V1059 HydrophobicContact CB-CG2 4.02Å; L1044-V1059 HydrophobicContact CD1-CG2 3.57Å; A1055-V1059 WeakPolarHBondContact O-CG2 3.47Å; A1055-V1059 PolarHBondContact O-N 3.22Å; E1056-V1059 PolarHBondContact O-N 2.72Å; V1059-G1061 VanDerWaalsContact C-N 3.31Å; V1059-G1061 PolarHBondContact O-N 3.43Å; V1059-W1062 PolarHBondContact O-N 3.42Å; V1059-F1063 PolarHBondContact O-N 3.42Å; V1059-F1063 VanDerWaalsContact O-N 3.15Å |
| 1060 | N | 91.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 174.2 | -70.8 | 9.3 | 0 | 0 | 0 | 111.2 | R955 R1030 H1031 V1032 E1056 W1062 F1063 L1064 | R955-N1060 PolarHBondContact NH2-ND2 3.06Å; R1030-N1060 PolarHBondContact O-ND2 3.34Å; H1031-N1060 WeakPolarHBondContact CA-ND2 3.35Å; V1032-N1060 HydrophobicContact CG2-CB 4.13Å; V1032-N1060 PolarHBondContact O-OD1 2.86Å; E1056-N1060 WeakPolarHBondContact O-CB 3.33Å; E1056-N1060 VanDerWaalsContact O-CG 3.26Å; E1056-N1060 PolarHBondContact O-N 3.39Å; E1056-N1060 PolarHBondContact O-OD1 2.79Å; N1060-W1062 VanDerWaalsContact C-N 3.31Å; N1060-W1062 PolarHBondContact O-N 3.16Å; N1060-F1063 PolarHBondContact O-N 3.25Å; N1060-L1064 VanDerWaalsContact O-CB 3.27Å; N1060-L1064 WeakPolarHBondContact O-CB 3.45Å; N1060-L1064 WeakPolarHBondContact O-CG 3.49Å; N1060-L1064 PolarHBondContact O-N 3.41Å |
| 1061 | G | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -38.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1057 L1058 V1059 L1064 L1065 | A1057-G1061 PolarHBondContact O-N 3.48Å; L1058-G1061 PolarHBondContact O-N 2.92Å; V1059-G1061 VanDerWaalsContact C-N 3.31Å; V1059-G1061 PolarHBondContact O-N 3.43Å; G1061-L1064 PolarHBondContact O-N 3Å; G1061-L1065 VanDerWaalsContact O-CB 3.28Å; G1061-L1065 WeakPolarHBondContact O-CB 3.32Å; G1061-L1065 WeakPolarHBondContact O-CG 3.43Å; G1061-L1065 PolarHBondContact O-N 3.26Å |
| 1062 | W | 90.1 | Very high | 91.7 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 14% | 0.136 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.6 | -179.7 | -111 | 0 | 0 | 0 | 111.7 | L1058 V1059 N1060 E1067 F1070 L1090 N1091 A1094 | L1058-W1062 PolarHBondContact O-N 3.25Å; V1059-W1062 PolarHBondContact O-N 3.42Å; N1060-W1062 VanDerWaalsContact C-N 3.31Å; N1060-W1062 PolarHBondContact O-N 3.16Å; W1062-E1067 HydrophobicContact CZ3-CG 4.41Å; W1062-F1070 HydrophobicContact CB-CD2 4.26Å; W1062-F1070 HydrophobicContact CB-CE2 3.91Å; W1062-F1070 HydrophobicContact CB-CZ 4.18Å; W1062-F1070 HydrophobicContact CE3-CB 4.43Å; W1062-F1070 AromaticContact CE3-CD1 3.41Å; W1062-F1070 HydrophobicContact CE3-CD1 3.41Å; W1062-F1070 VanDerWaalsContact CE3-CD1 3.41Å; W1062-F1070 HydrophobicContact CE3-CD2 4.28Å; W1062-F1070 AromaticContact CE3-CE1 3.59Å; W1062-F1070 HydrophobicContact CE3-CE1 3.59Å; W1062-F1070 HydrophobicContact CE3-CE2 4.44Å; W1062-F1070 AromaticContact CE3-CG 3.76Å; W1062-F1070 HydrophobicContact CE3-CG 3.76Å; W1062-F1070 HydrophobicContact CE3-CZ 4.11Å; W1062-F1070 AromaticContact CZ3-CD1 3.74Å; W1062-F1070 HydrophobicContact CZ3-CD1 3.74Å; W1062-F1070 HydrophobicContact CZ3-CE1 4.12Å; W1062-F1070 HydrophobicContact CZ3-CG 4.33Å; W1062-F1070 VanDerWaalsContact N-CE2 3.32Å; W1062-L1090 HydrophobicContact CB-CD1 3.87Å; W1062-L1090 HydrophobicContact CD2-CB 3.67Å; W1062-L1090 HydrophobicContact CD2-CD1 3.78Å; W1062-L1090 HydrophobicContact CD2-CG 4.23Å; W1062-L1090 HydrophobicContact CE3-CB 4.03Å; W1062-L1090 HydrophobicContact CE3-CD1 3.88Å; W1062-L1090 HydrophobicContact CG-CB 4.11Å; W1062-L1090 HydrophobicContact CG-CD1 3.78Å; W1062-L1090 HydrophobicContact CG-CD2 4.18Å; W1062-L1090 HydrophobicContact CG-CG 4.26Å; W1062-L1090 HydrophobicContact CH2-CB 4.22Å; W1062-L1090 HydrophobicContact CZ2-CB 3.87Å; W1062-L1090 HydrophobicContact CZ3-CB 4.3Å; W1062-N1091 WeakPolarHBondContact CH2-OD1 3.38Å; W1062-A1094 PolarHBondContact NE1-O 3.3Å; W1062-A1094 VanDerWaalsContact NE1-O 3.14Å |
| 1063 | F | 86.5 | Confident | 91.8 | Very high | 81 Ų | 81 | 37.3 Ų | 37.3 | 36% | 0.355 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -73.8 | -32.5 | 180 | -170.2 | -97.8 | 0 | 0 | 0 | 113 | V1032 L1037 V1059 N1060 V1102 | V1032-F1063 HydrophobicContact CG2-CD1 4.36Å; L1037-F1063 HydrophobicContact CD2-CB 4.11Å; L1037-F1063 HydrophobicContact CD2-CD2 4.37Å; L1037-F1063 HydrophobicContact CD2-CG 4.43Å; V1059-F1063 PolarHBondContact O-N 3.42Å; V1059-F1063 VanDerWaalsContact O-N 3.15Å; N1060-F1063 PolarHBondContact O-N 3.25Å; F1063-V1102 HydrophobicContact CD1-CB 4.26Å; F1063-V1102 HydrophobicContact CD1-CG1 3.86Å; F1063-V1102 HydrophobicContact CD1-CG2 4.21Å; F1063-V1102 HydrophobicContact CD2-CG2 4.04Å; F1063-V1102 HydrophobicContact CE1-CB 3.47Å; F1063-V1102 VanDerWaalsContact CE1-CB 3.47Å; F1063-V1102 HydrophobicContact CE1-CG1 3.52Å; F1063-V1102 HydrophobicContact CE1-CG2 3.57Å; F1063-V1102 HydrophobicContact CE2-CB 4.22Å; F1063-V1102 HydrophobicContact CE2-CG2 3.36Å; F1063-V1102 HydrophobicContact CG-CG2 4.43Å; F1063-V1102 HydrophobicContact CZ-CB 3.46Å; F1063-V1102 VanDerWaalsContact CZ-CB 3.46Å; F1063-V1102 HydrophobicContact CZ-CG1 4.01Å; F1063-V1102 HydrophobicContact CZ-CG2 3.11Å |
| 1064 | L | 88.6 | Confident | 91.8 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 20% | 0.204 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -92.8 | -17.8 | -172.3 | -66 | 178.7 | 0 | 0 | 0 | 114.6 | P1027 R1030 V1032 N1060 G1061 | P1027-L1064 HydrophobicContact CB-CD1 4.24Å; P1027-L1064 HydrophobicContact CG-CB 4.45Å; R1030-L1064 HydrophobicContact CB-CD1 3.88Å; V1032-L1064 HydrophobicContact CG1-CD2 4.04Å; V1032-L1064 HydrophobicContact CG2-CG 4.45Å; N1060-L1064 VanDerWaalsContact O-CB 3.27Å; N1060-L1064 WeakPolarHBondContact O-CB 3.45Å; N1060-L1064 WeakPolarHBondContact O-CG 3.49Å; N1060-L1064 PolarHBondContact O-N 3.41Å; G1061-L1064 PolarHBondContact O-N 3Å |
| 1065 | L | 90.8 | Very high | 91.7 | Very high | 32 Ų | 32 | 40.7 Ų | 40.7 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -118.3 | 149.6 | -175.1 | -59.5 | 177.9 | 0 | 0 | 0 | 111.6 | P1027 G1061 F1070 F1073 | P1027-L1065 HydrophobicContact CG-CD1 3.59Å; P1027-L1065 HydrophobicContact CG-CD2 4.02Å; P1027-L1065 HydrophobicContact CG-CG 3.65Å; G1061-L1065 VanDerWaalsContact O-CB 3.28Å; G1061-L1065 WeakPolarHBondContact O-CB 3.32Å; G1061-L1065 WeakPolarHBondContact O-CG 3.43Å; G1061-L1065 PolarHBondContact O-N 3.26Å; L1065-F1070 HydrophobicContact CB-CB 4.21Å; L1065-F1073 HydrophobicContact CD1-CB 3.7Å; L1065-F1073 HydrophobicContact CD1-CD1 4.35Å; L1065-F1073 HydrophobicContact CD1-CD2 4.5Å; L1065-F1073 HydrophobicContact CD1-CG 3.96Å |
| 1066 | N | 90 | Very high | 91.4 | Very high | 103 Ų | 103 | 44 Ų | 44 | 55% | 0.551 | 21% | 0.211 | S | C | * | . | trans | -65.5 | 160.5 | 164 | 68.3 | 53.9 | 0 | 0 | 0 | 111 | K1068 S1069 F1070 | N1066-K1068 VanDerWaalsContact C-N 3.28Å; N1066-K1068 PolarHBondContact O-N 2.75Å; N1066-K1068 PolarHBondContact OD1-N 2.92Å; N1066-S1069 PolarHBondContact O-N 2.72Å; N1066-S1069 VanDerWaalsContact O-N 3.14Å; N1066-S1069 WeakPolarHBondContact OD1-CB 3.46Å; N1066-S1069 PolarHBondContact OD1-N 3.46Å; N1066-S1069 PolarHBondContact OD1-OG 3.36Å; N1066-F1070 WeakPolarHBondContact O-CB 3.28Å; N1066-F1070 PolarHBondContact O-N 2.85Å | ||
| 1067 | E | 87.8 | Confident | 91.2 | Very high | 86 Ų | 86 | 44.3 Ų | 44.3 | 40% | 0.402 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56 | -39.3 | -173.9 | -165.1 | -165.1 | 143.1 | 0 | 0 | 113.6 | W1062 F1070 R1071 | W1062-E1067 HydrophobicContact CZ3-CG 4.41Å; E1067-F1070 PolarHBondContact O-N 3.3Å; E1067-R1071 WeakPolarHBondContact O-CB 3.45Å; E1067-R1071 VanDerWaalsContact O-CG 3.26Å; E1067-R1071 WeakPolarHBondContact O-CG 2.99Å; E1067-R1071 PolarHBondContact O-N 3.02Å; E1067-R1071 IonicContact OE1-CZ 3.87Å; E1067-R1071 IonicContact OE1-NE 3.83Å; E1067-R1071 PolarHBondContact OE1-NE 3.43Å; E1067-R1071 IonicContact OE1-NH2 2.97Å; E1067-R1071 PolarHBondContact OE1-NH2 2.86Å |
| 1068 | K | 90.9 | Very high | 91 | Very high | 179 Ų | 179 | 45.2 Ų | 45.2 | 78% | 0.778 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -64.8 | -47.7 | 179.8 | -177.3 | -178.5 | 177.3 | -177.6 | 0 | 111.2 | N1066 R1071 A1072 | N1066-K1068 VanDerWaalsContact C-N 3.28Å; N1066-K1068 PolarHBondContact O-N 2.75Å; N1066-K1068 PolarHBondContact OD1-N 2.92Å; K1068-R1071 PolarHBondContact O-N 2.75Å; K1068-A1072 PolarHBondContact O-N 3.41Å |
| 1069 | S | 93.2 | Very high | 90.7 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 26% | 0.259 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.5 | -38.8 | 177.2 | -66.4 | 0 | 0 | 0 | 0 | 111.4 | N1066 R1071 A1072 F1073 | N1066-S1069 PolarHBondContact O-N 2.72Å; N1066-S1069 VanDerWaalsContact O-N 3.14Å; N1066-S1069 WeakPolarHBondContact OD1-CB 3.46Å; N1066-S1069 PolarHBondContact OD1-N 3.46Å; N1066-S1069 PolarHBondContact OD1-OG 3.36Å; S1069-R1071 PolarHBondContact O-N 3.33Å; S1069-A1072 WeakPolarHBondContact O-CB 3.45Å; S1069-A1072 PolarHBondContact O-N 3.17Å; S1069-A1072 VanDerWaalsContact O-N 3.13Å; S1069-F1073 WeakPolarHBondContact O-CB 3.04Å; S1069-F1073 PolarHBondContact O-N 2.82Å |
| 1070 | F | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 175.4 | 179.6 | -103.2 | 0 | 0 | 0 | 112 | L1058 W1062 L1065 N1066 E1067 A1072 F1073 S1074 I1086 V1087 L1090 | L1058-F1070 HydrophobicContact CD2-CE2 4.42Å; L1058-F1070 HydrophobicContact CD2-CZ 4.28Å; L1058-F1070 VanDerWaalsContact O-CE2 3.28Å; L1058-F1070 WeakPolarHBondContact O-CE2 2.98Å; W1062-F1070 HydrophobicContact CB-CD2 4.26Å; W1062-F1070 HydrophobicContact CB-CE2 3.91Å; W1062-F1070 HydrophobicContact CB-CZ 4.18Å; W1062-F1070 HydrophobicContact CE3-CB 4.43Å; W1062-F1070 AromaticContact CE3-CD1 3.41Å; W1062-F1070 HydrophobicContact CE3-CD1 3.41Å; W1062-F1070 VanDerWaalsContact CE3-CD1 3.41Å; W1062-F1070 HydrophobicContact CE3-CD2 4.28Å; W1062-F1070 AromaticContact CE3-CE1 3.59Å; W1062-F1070 HydrophobicContact CE3-CE1 3.59Å; W1062-F1070 HydrophobicContact CE3-CE2 4.44Å; W1062-F1070 AromaticContact CE3-CG 3.76Å; W1062-F1070 HydrophobicContact CE3-CG 3.76Å; W1062-F1070 HydrophobicContact CE3-CZ 4.11Å; W1062-F1070 AromaticContact CZ3-CD1 3.74Å; W1062-F1070 HydrophobicContact CZ3-CD1 3.74Å; W1062-F1070 HydrophobicContact CZ3-CE1 4.12Å; W1062-F1070 HydrophobicContact CZ3-CG 4.33Å; W1062-F1070 VanDerWaalsContact N-CE2 3.32Å; L1065-F1070 HydrophobicContact CB-CB 4.21Å; N1066-F1070 WeakPolarHBondContact O-CB 3.28Å; N1066-F1070 PolarHBondContact O-N 2.85Å; E1067-F1070 PolarHBondContact O-N 3.3Å; F1070-A1072 PolarHBondContact O-N 3.35Å; F1070-F1073 AromaticContact CD2-CD1 3.96Å; F1070-F1073 HydrophobicContact CD2-CD1 3.96Å; F1070-F1073 HydrophobicContact CE2-CD1 4.02Å; F1070-F1073 HydrophobicContact CE2-CE1 4.4Å; F1070-F1073 WeakPolarHBondContact O-CB 3.45Å; F1070-F1073 PolarHBondContact O-N 3.36Å; F1070-F1073 VanDerWaalsContact O-N 3.17Å; F1070-S1074 WeakPolarHBondContact O-CB 3.48Å; F1070-S1074 PolarHBondContact O-N 3.44Å; F1070-S1074 PolarHBondContact O-OG 3Å; F1070-I1086 HydrophobicContact CZ-CG2 4.33Å; F1070-V1087 HydrophobicContact CD1-CG2 3.8Å; F1070-V1087 HydrophobicContact CE1-CG2 3.66Å; F1070-L1090 HydrophobicContact CE1-CD1 3.74Å; F1070-L1090 HydrophobicContact CZ-CD1 3.52Å |
| 1071 | R | 92.8 | Very high | 90.3 | Very high | 92 Ų | 92 | 61.1 Ų | 61.1 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.5 | -33 | 175 | -75.4 | 171.4 | -177.4 | -80.3 | 6.9 | 112.4 | E1067 K1068 S1069 S1074 K1075 V1087 | E1067-R1071 WeakPolarHBondContact O-CB 3.45Å; E1067-R1071 VanDerWaalsContact O-CG 3.26Å; E1067-R1071 WeakPolarHBondContact O-CG 2.99Å; E1067-R1071 PolarHBondContact O-N 3.02Å; E1067-R1071 IonicContact OE1-CZ 3.87Å; E1067-R1071 IonicContact OE1-NE 3.83Å; E1067-R1071 PolarHBondContact OE1-NE 3.43Å; E1067-R1071 IonicContact OE1-NH2 2.97Å; E1067-R1071 PolarHBondContact OE1-NH2 2.86Å; K1068-R1071 PolarHBondContact O-N 2.75Å; S1069-R1071 PolarHBondContact O-N 3.33Å; R1071-S1074 PolarHBondContact O-OG 2.84Å; R1071-K1075 VanDerWaalsContact O-CD 3.24Å; R1071-K1075 WeakPolarHBondContact O-CD 3Å; R1071-K1075 WeakPolarHBondContact O-CE 3.4Å; R1071-K1075 WeakPolarHBondContact O-CG 3.19Å; R1071-V1087 HydrophobicContact CG-CG1 4.41Å; R1071-V1087 HydrophobicContact CG-CG2 3.95Å; R1071-V1087 VanDerWaalsContact CZ-CG1 3.49Å |
| 1072 | A | 92.4 | Very high | 90.2 | Very high | 39 Ų | 39 | 63 Ų | 63 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -74.5 | -44.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1024 K1068 S1069 F1070 K1075 | V1024-A1072 HydrophobicContact CG1-CB 4.1Å; V1024-A1072 HydrophobicContact CG2-CB 4.35Å; K1068-A1072 PolarHBondContact O-N 3.41Å; S1069-A1072 WeakPolarHBondContact O-CB 3.45Å; S1069-A1072 PolarHBondContact O-N 3.17Å; S1069-A1072 VanDerWaalsContact O-N 3.13Å; F1070-A1072 PolarHBondContact O-N 3.35Å; A1072-K1075 PolarHBondContact O-N 3.3Å |
| 1073 | F | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.8 | -51.9 | 175.2 | 170.7 | -106.6 | 0 | 0 | 0 | 112.5 | V1024 M1025 P1027 L1028 A1057 L1058 L1065 S1069 F1070 K1075 Q1076 L1077 | V1024-F1073 HydrophobicContact CB-CB 4.3Å; V1024-F1073 WeakPolarHBondContact O-CD2 3.39Å; M1025-F1073 HydrophobicContact CE-CD2 3.58Å; M1025-F1073 HydrophobicContact CE-CE2 3.41Å; M1025-F1073 VanDerWaalsContact CE-CE2 3.41Å; M1025-F1073 HydrophobicContact SD-CD2 3.56Å; M1025-F1073 VanDerWaalsContact SD-CD2 3.56Å; M1025-F1073 HydrophobicContact SD-CE2 4.05Å; P1027-F1073 HydrophobicContact CB-CE2 4.14Å; P1027-F1073 HydrophobicContact CB-CZ 3.99Å; P1027-F1073 HydrophobicContact CG-CD2 4.38Å; P1027-F1073 HydrophobicContact CG-CE2 4.16Å; P1027-F1073 HydrophobicContact CG-CZ 4.3Å; L1028-F1073 HydrophobicContact CD2-CE2 4.14Å; L1028-F1073 HydrophobicContact CD2-CZ 4.15Å; L1028-F1073 HydrophobicContact CG-CE2 4.13Å; A1057-F1073 WeakPolarHBondContact O-CE1 3.38Å; A1057-F1073 WeakPolarHBondContact O-CZ 3.27Å; L1058-F1073 HydrophobicContact CD2-CE1 4.35Å; L1065-F1073 HydrophobicContact CD1-CB 3.7Å; L1065-F1073 HydrophobicContact CD1-CD1 4.35Å; L1065-F1073 HydrophobicContact CD1-CD2 4.5Å; L1065-F1073 HydrophobicContact CD1-CG 3.96Å; S1069-F1073 WeakPolarHBondContact O-CB 3.04Å; S1069-F1073 PolarHBondContact O-N 2.82Å; F1070-F1073 AromaticContact CD2-CD1 3.96Å; F1070-F1073 HydrophobicContact CD2-CD1 3.96Å; F1070-F1073 HydrophobicContact CE2-CD1 4.02Å; F1070-F1073 HydrophobicContact CE2-CE1 4.4Å; F1070-F1073 WeakPolarHBondContact O-CB 3.45Å; F1070-F1073 PolarHBondContact O-N 3.36Å; F1070-F1073 VanDerWaalsContact O-N 3.17Å; F1073-K1075 VanDerWaalsContact C-N 3.27Å; F1073-K1075 PolarHBondContact O-N 3.07Å; F1073-Q1076 WeakPolarHBondContact O-CB 3.47Å; F1073-Q1076 PolarHBondContact O-N 3.37Å; F1073-L1077 HydrophobicContact CD1-CD1 4.49Å; F1073-L1077 HydrophobicContact CE1-CD1 3.77Å; F1073-L1077 HydrophobicContact CE2-CD1 3.88Å; F1073-L1077 HydrophobicContact CZ-CD1 3.43Å; F1073-L1077 VanDerWaalsContact CZ-CD1 3.43Å |
| 1074 | S | 93.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.5 | -35.8 | -177.2 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | F1070 R1071 Q1076 L1077 V1078 A1083 | F1070-S1074 WeakPolarHBondContact O-CB 3.48Å; F1070-S1074 PolarHBondContact O-N 3.44Å; F1070-S1074 PolarHBondContact O-OG 3Å; R1071-S1074 PolarHBondContact O-OG 2.84Å; S1074-Q1076 PolarHBondContact O-N 3.03Å; S1074-L1077 PolarHBondContact O-N 2.94Å; S1074-L1077 VanDerWaalsContact O-N 3.17Å; S1074-V1078 WeakPolarHBondContact O-CG2 3.23Å; S1074-V1078 PolarHBondContact O-N 3.5Å; S1074-A1083 WeakPolarHBondContact OG-CB 3.36Å |
| 1075 | K | 90.8 | Very high | 90.5 | Very high | 117 Ų | 117 | 62.3 Ų | 62.3 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.5 | -20.1 | 176.8 | -74.9 | 171.8 | -169.8 | -178.6 | 0 | 113.4 | R1071 A1072 F1073 L1080 A1083 | R1071-K1075 VanDerWaalsContact O-CD 3.24Å; R1071-K1075 WeakPolarHBondContact O-CD 3Å; R1071-K1075 WeakPolarHBondContact O-CE 3.4Å; R1071-K1075 WeakPolarHBondContact O-CG 3.19Å; A1072-K1075 PolarHBondContact O-N 3.3Å; F1073-K1075 VanDerWaalsContact C-N 3.27Å; F1073-K1075 PolarHBondContact O-N 3.07Å; K1075-L1080 HydrophobicContact CD-CD1 3.88Å; K1075-L1080 HydrophobicContact CG-CD1 3.87Å; K1075-A1083 HydrophobicContact CG-CB 4.19Å |
| 1076 | Q | 88.4 | Confident | 90.5 | Very high | 69 Ų | 69 | 60.8 Ų | 60.8 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -84.3 | -22.2 | 175.9 | -61.4 | -169.8 | 24.4 | 0 | 0 | 112.6 | M1025 F1073 S1074 | M1025-Q1076 HydrophobicContact SD-CB 4.07Å; M1025-Q1076 VanDerWaalsContact SD-CD 3.59Å; M1025-Q1076 HydrophobicContact SD-CG 4.32Å; M1025-Q1076 PolarHBondContact SD-OE1 2.79Å; F1073-Q1076 WeakPolarHBondContact O-CB 3.47Å; F1073-Q1076 PolarHBondContact O-N 3.37Å; S1074-Q1076 PolarHBondContact O-N 3.03Å |
| 1077 | L | 89.1 | Confident | 90.5 | Very high | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -100.6 | -32.9 | -176.5 | -63.8 | -178 | 0 | 0 | 0 | 113.4 | V965 M1025 L1028 L1054 A1057 L1058 F1073 S1074 | V965-L1077 HydrophobicContact CG2-CD2 4.3Å; M1025-L1077 HydrophobicContact CE-CD2 4.03Å; M1025-L1077 HydrophobicContact CE-CG 4.35Å; L1028-L1077 HydrophobicContact CD2-CD1 4.48Å; L1054-L1077 HydrophobicContact CD2-CB 4.43Å; A1057-L1077 HydrophobicContact CB-CD1 4.13Å; L1058-L1077 HydrophobicContact CD2-CD1 4.32Å; F1073-L1077 HydrophobicContact CD1-CD1 4.49Å; F1073-L1077 HydrophobicContact CE1-CD1 3.77Å; F1073-L1077 HydrophobicContact CE2-CD1 3.88Å; F1073-L1077 HydrophobicContact CZ-CD1 3.43Å; F1073-L1077 VanDerWaalsContact CZ-CD1 3.43Å; S1074-L1077 PolarHBondContact O-N 2.94Å; S1074-L1077 VanDerWaalsContact O-N 3.17Å |
| 1078 | V | 90.1 | Very high | 90.6 | Very high | 19 Ų | 19 | 59.7 Ų | 59.7 | 12% | 0.115 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -133.8 | 165.5 | -176.2 | -62 | 0 | 0 | 0 | 0 | 111.6 | L1050 L1058 S1074 A1083 I1086 | L1050-V1078 HydrophobicContact CD2-CG1 3.86Å; L1058-V1078 HydrophobicContact CD1-CG1 4.09Å; S1074-V1078 WeakPolarHBondContact O-CG2 3.23Å; S1074-V1078 PolarHBondContact O-N 3.5Å; V1078-A1083 HydrophobicContact CG2-CB 3.96Å; V1078-I1086 HydrophobicContact CG2-CD1 3.95Å |
| 1079 | S | 87 | Confident | 90.6 | Very high | 67 Ų | 67 | 51.9 Ų | 51.9 | 47% | 0.469 | 27% | 0.265 | S | S | . | . | trans | -55.9 | 151.1 | 177.5 | 87.2 | 0 | 0 | 0 | 0 | 111.9 | K1081 S1082 A1083 | S1079-K1081 PolarHBondContact O-N 2.78Å; S1079-S1082 PolarHBondContact O-N 2.84Å; S1079-S1082 VanDerWaalsContact O-N 3.11Å; S1079-S1082 WeakPolarHBondContact OG-CB 3.32Å; S1079-S1082 PolarHBondContact OG-N 3.39Å; S1079-S1082 VanDerWaalsContact OG-N 3.17Å; S1079-S1082 PolarHBondContact OG-OG 3.43Å; S1079-A1083 WeakPolarHBondContact O-CB 3.36Å; S1079-A1083 PolarHBondContact O-N 3.47Å | ||
| 1080 | L | 85.8 | Confident | 90.3 | Very high | 98 Ų | 98 | 50.1 Ų | 50.1 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.3 | -38.6 | 179.7 | -177.3 | 65.1 | 0 | 0 | 0 | 112.7 | K1075 Q1084 | K1075-L1080 HydrophobicContact CD-CD1 3.88Å; K1075-L1080 HydrophobicContact CG-CD1 3.87Å; L1080-Q1084 WeakPolarHBondContact O-CG 2.94Å; L1080-Q1084 PolarHBondContact O-N 3.02Å; L1080-Q1084 VanDerWaalsContact O-N 3.13Å |
| 1081 | K | 88.1 | Confident | 90 | Very high | 176 Ų | 176 | 53.4 Ų | 53.4 | 77% | 0.765 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66.2 | -47.8 | 177.6 | -68.9 | -175.8 | 179.4 | -179.5 | 0 | 111.2 | S1079 Q1084 A1085 | S1079-K1081 PolarHBondContact O-N 2.78Å; K1081-Q1084 PolarHBondContact O-N 3.26Å; K1081-A1085 PolarHBondContact O-N 3.31Å; K1081-A1085 VanDerWaalsContact O-N 3.11Å |
| 1082 | S | 89.8 | Confident | 89.6 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 176.7 | -52.7 | 0 | 0 | 0 | 0 | 111 | S1079 Q1084 A1085 I1086 | S1079-S1082 PolarHBondContact O-N 2.84Å; S1079-S1082 VanDerWaalsContact O-N 3.11Å; S1079-S1082 WeakPolarHBondContact OG-CB 3.32Å; S1079-S1082 PolarHBondContact OG-N 3.39Å; S1079-S1082 VanDerWaalsContact OG-N 3.17Å; S1079-S1082 PolarHBondContact OG-OG 3.43Å; S1082-Q1084 VanDerWaalsContact C-N 3.33Å; S1082-Q1084 PolarHBondContact O-N 2.87Å; S1082-A1085 PolarHBondContact O-N 3.32Å; S1082-A1085 VanDerWaalsContact O-N 3.15Å; S1082-I1086 WeakPolarHBondContact O-CB 2.93Å; S1082-I1086 WeakPolarHBondContact O-CD1 3.25Å; S1082-I1086 WeakPolarHBondContact O-CG1 3.45Å; S1082-I1086 PolarHBondContact O-N 3.39Å |
| 1083 | A | 89.5 | Confident | 88.9 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.017 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.5 | -45.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1074 K1075 V1078 S1079 V1087 | S1074-A1083 WeakPolarHBondContact OG-CB 3.36Å; K1075-A1083 HydrophobicContact CG-CB 4.19Å; V1078-A1083 HydrophobicContact CG2-CB 3.96Å; S1079-A1083 WeakPolarHBondContact O-CB 3.36Å; S1079-A1083 PolarHBondContact O-N 3.47Å; A1083-V1087 WeakPolarHBondContact O-CG2 3.3Å; A1083-V1087 PolarHBondContact O-N 3.16Å |
| 1084 | Q | 90.7 | Very high | 87.9 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 48% | 0.477 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 177.5 | -72.7 | 174.3 | -4.5 | 0 | 0 | 112.5 | L1080 K1081 S1082 K1088 | L1080-Q1084 WeakPolarHBondContact O-CG 2.94Å; L1080-Q1084 PolarHBondContact O-N 3.02Å; L1080-Q1084 VanDerWaalsContact O-N 3.13Å; K1081-Q1084 PolarHBondContact O-N 3.26Å; S1082-Q1084 VanDerWaalsContact C-N 3.33Å; S1082-Q1084 PolarHBondContact O-N 2.87Å; Q1084-K1088 WeakPolarHBondContact O-CG 3.49Å; Q1084-K1088 PolarHBondContact O-N 2.61Å |
| 1085 | A | 91.3 | Very high | 86.6 | Confident | 38 Ų | 38 | 61.8 Ų | 61.8 | 31% | 0.314 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.4 | -40.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1048 K1081 S1082 K1088 L1089 | F1048-A1085 HydrophobicContact CE1-CB 3.5Å; F1048-A1085 HydrophobicContact CZ-CB 3.77Å; K1081-A1085 PolarHBondContact O-N 3.31Å; K1081-A1085 VanDerWaalsContact O-N 3.11Å; S1082-A1085 PolarHBondContact O-N 3.32Å; S1082-A1085 VanDerWaalsContact O-N 3.15Å; A1085-K1088 WeakPolarHBondContact O-CB 3.38Å; A1085-K1088 PolarHBondContact O-N 3.12Å; A1085-L1089 PolarHBondContact O-N 3.13Å |
| 1086 | I | 92.1 | Very high | 85 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.9 | -70.9 | 160.1 | 0 | 0 | 0 | 110.7 | L1044 F1048 L1050 L1058 F1070 V1078 S1082 K1088 L1089 L1090 | L1044-I1086 HydrophobicContact CD2-CB 4.44Å; L1044-I1086 HydrophobicContact CD2-CG1 4.02Å; L1044-I1086 HydrophobicContact CD2-CG2 3.94Å; F1048-I1086 HydrophobicContact CD1-CG1 4.38Å; F1048-I1086 HydrophobicContact CD2-CG1 3.82Å; F1048-I1086 HydrophobicContact CE1-CG1 4.24Å; F1048-I1086 HydrophobicContact CE2-CG1 3.63Å; F1048-I1086 HydrophobicContact CG-CG1 4.19Å; F1048-I1086 HydrophobicContact CZ-CG1 3.87Å; L1050-I1086 HydrophobicContact CD1-CD1 4.05Å; L1058-I1086 HydrophobicContact CD1-CD1 3.99Å; F1070-I1086 HydrophobicContact CZ-CG2 4.33Å; V1078-I1086 HydrophobicContact CG2-CD1 3.95Å; S1082-I1086 WeakPolarHBondContact O-CB 2.93Å; S1082-I1086 WeakPolarHBondContact O-CD1 3.25Å; S1082-I1086 WeakPolarHBondContact O-CG1 3.45Å; S1082-I1086 PolarHBondContact O-N 3.39Å; I1086-K1088 VanDerWaalsContact C-N 3.3Å; I1086-K1088 PolarHBondContact O-N 3.27Å; I1086-L1089 WeakPolarHBondContact O-CB 3.35Å; I1086-L1089 PolarHBondContact O-N 3.38Å; I1086-L1089 VanDerWaalsContact O-N 3.17Å; I1086-L1090 HydrophobicContact CG2-CD1 3.56Å; I1086-L1090 HydrophobicContact CG2-CG 4.19Å; I1086-L1090 WeakPolarHBondContact O-CB 3.47Å; I1086-L1090 WeakPolarHBondContact O-CG 3.44Å; I1086-L1090 PolarHBondContact O-N 3.49Å |
| 1087 | V | 90.6 | Very high | 83.7 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 176.4 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | F1070 R1071 A1083 L1089 N1091 | F1070-V1087 HydrophobicContact CD1-CG2 3.8Å; F1070-V1087 HydrophobicContact CE1-CG2 3.66Å; R1071-V1087 HydrophobicContact CG-CG1 4.41Å; R1071-V1087 HydrophobicContact CG-CG2 3.95Å; R1071-V1087 VanDerWaalsContact CZ-CG1 3.49Å; A1083-V1087 WeakPolarHBondContact O-CG2 3.3Å; A1083-V1087 PolarHBondContact O-N 3.16Å; V1087-L1089 VanDerWaalsContact C-N 3.35Å; V1087-N1091 WeakPolarHBondContact CG1-ND2 3.34Å; V1087-N1091 WeakPolarHBondContact O-CB 3.43Å; V1087-N1091 PolarHBondContact O-N 3.47Å; V1087-N1091 VanDerWaalsContact O-N 3.15Å; V1087-N1091 PolarHBondContact O-ND2 2.82Å |
| 1088 | K | 89.8 | Confident | 82.2 | Confident | 164 Ų | 164 | 70.4 Ų | 70.4 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 174.8 | -72.6 | 179.3 | 179.9 | -175.5 | 0 | 111.6 | Q1084 A1085 I1086 A1092 | Q1084-K1088 WeakPolarHBondContact O-CG 3.49Å; Q1084-K1088 PolarHBondContact O-N 2.61Å; A1085-K1088 WeakPolarHBondContact O-CB 3.38Å; A1085-K1088 PolarHBondContact O-N 3.12Å; I1086-K1088 VanDerWaalsContact C-N 3.3Å; I1086-K1088 PolarHBondContact O-N 3.27Å; K1088-A1092 PolarHBondContact O-N 3.22Å |
| 1089 | L | 89.1 | Confident | 80.6 | Confident | 15 Ų | 15 | 77.1 Ų | 77.1 | 8% | 0.079 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.2 | -54.3 | 177.2 | 177.9 | 60.2 | 0 | 0 | 0 | 111.5 | E1043 L1044 F1048 A1085 I1086 V1087 N1091 A1092 T1093 | E1043-L1089 HydrophobicContact CG-CD2 4.31Å; L1044-L1089 HydrophobicContact CD2-CD2 3.82Å; L1044-L1089 HydrophobicContact CG-CD2 4.48Å; F1048-L1089 HydrophobicContact CE2-CB 4.43Å; F1048-L1089 HydrophobicContact CE2-CD2 3.67Å; A1085-L1089 PolarHBondContact O-N 3.13Å; I1086-L1089 WeakPolarHBondContact O-CB 3.35Å; I1086-L1089 PolarHBondContact O-N 3.38Å; I1086-L1089 VanDerWaalsContact O-N 3.17Å; V1087-L1089 VanDerWaalsContact C-N 3.35Å; L1089-N1091 VanDerWaalsContact C-N 3.27Å; L1089-N1091 PolarHBondContact O-N 3.43Å; L1089-A1092 CarbonylContact O-C 3.59Å; L1089-A1092 WeakPolarHBondContact O-CA 3.45Å; L1089-A1092 WeakPolarHBondContact O-CB 3.36Å; L1089-A1092 PolarHBondContact O-N 3.02Å; L1089-T1093 HydrophobicContact CD1-CG2 3.72Å; L1089-T1093 PolarHBondContact O-N 3.2Å; L1089-T1093 PolarHBondContact O-OG1 2.99Å |
| 1090 | L | 88.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.5 | -34.2 | -175.7 | -69.3 | 168.9 | 0 | 0 | 0 | 112.6 | V1040 L1044 W1062 F1070 I1086 A1092 A1094 | V1040-L1090 HydrophobicContact CG1-CD2 3.35Å; L1044-L1090 HydrophobicContact CD1-CD2 4.32Å; W1062-L1090 HydrophobicContact CB-CD1 3.87Å; W1062-L1090 HydrophobicContact CD2-CB 3.67Å; W1062-L1090 HydrophobicContact CD2-CD1 3.78Å; W1062-L1090 HydrophobicContact CD2-CG 4.23Å; W1062-L1090 HydrophobicContact CE3-CB 4.03Å; W1062-L1090 HydrophobicContact CE3-CD1 3.88Å; W1062-L1090 HydrophobicContact CG-CB 4.11Å; W1062-L1090 HydrophobicContact CG-CD1 3.78Å; W1062-L1090 HydrophobicContact CG-CD2 4.18Å; W1062-L1090 HydrophobicContact CG-CG 4.26Å; W1062-L1090 HydrophobicContact CH2-CB 4.22Å; W1062-L1090 HydrophobicContact CZ2-CB 3.87Å; W1062-L1090 HydrophobicContact CZ3-CB 4.3Å; F1070-L1090 HydrophobicContact CE1-CD1 3.74Å; F1070-L1090 HydrophobicContact CZ-CD1 3.52Å; I1086-L1090 HydrophobicContact CG2-CD1 3.56Å; I1086-L1090 HydrophobicContact CG2-CG 4.19Å; I1086-L1090 WeakPolarHBondContact O-CB 3.47Å; I1086-L1090 WeakPolarHBondContact O-CG 3.44Å; I1086-L1090 PolarHBondContact O-N 3.49Å; L1090-A1092 PolarHBondContact O-N 3.08Å; L1090-A1094 HydrophobicContact CB-CB 4.46Å; L1090-A1094 HydrophobicContact CD2-CB 3.94Å; L1090-A1094 CarbonylContact O-C 3.56Å; L1090-A1094 WeakPolarHBondContact O-CA 3.47Å; L1090-A1094 WeakPolarHBondContact O-CB 3.28Å; L1090-A1094 PolarHBondContact O-N 3.28Å |
| 1091 | N | 85.8 | Confident | 78.6 | Confident | 69 Ų | 69 | 82.5 Ų | 82.5 | 37% | 0.369 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.5 | -28.9 | 171.3 | -83.8 | -56.2 | 0 | 0 | 0 | 113.4 | W1062 V1087 L1089 | W1062-N1091 WeakPolarHBondContact CH2-OD1 3.38Å; V1087-N1091 WeakPolarHBondContact CG1-ND2 3.34Å; V1087-N1091 WeakPolarHBondContact O-CB 3.43Å; V1087-N1091 PolarHBondContact O-N 3.47Å; V1087-N1091 VanDerWaalsContact O-N 3.15Å; V1087-N1091 PolarHBondContact O-ND2 2.82Å; L1089-N1091 VanDerWaalsContact C-N 3.27Å; L1089-N1091 PolarHBondContact O-N 3.43Å |
| 1092 | A | 84.2 | Confident | 78.1 | Confident | 78 Ų | 78 | 75.6 Ų | 75.6 | 65% | 0.645 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -86.2 | -36.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1088 L1089 L1090 | K1088-A1092 PolarHBondContact O-N 3.22Å; L1089-A1092 CarbonylContact O-C 3.59Å; L1089-A1092 WeakPolarHBondContact O-CA 3.45Å; L1089-A1092 WeakPolarHBondContact O-CB 3.36Å; L1089-A1092 PolarHBondContact O-N 3.02Å; L1090-A1092 PolarHBondContact O-N 3.08Å |
| 1093 | T | 79.2 | Confident | 77.8 | Confident | 54 Ų | 54 | 77 Ų | 77 | 33% | 0.331 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -108.6 | -31.5 | -169.3 | 60 | 0 | 0 | 0 | 0 | 114.5 | E1043 L1089 | E1043-T1093 WeakPolarHBondContact OE2-CB 3.45Å; E1043-T1093 WeakPolarHBondContact OE2-CG2 3.36Å; E1043-T1093 PolarHBondContact OE2-OG1 3.37Å; L1089-T1093 HydrophobicContact CD1-CG2 3.72Å; L1089-T1093 PolarHBondContact O-N 3.2Å; L1089-T1093 PolarHBondContact O-OG1 2.99Å |
| 1094 | A | 73.6 | Confident | 77.8 | Confident | 8 Ų | 8 | 79.2 Ų | 79.2 | 7% | 0.066 | 40% | 0.402 | C | S | . | . | trans | -109.5 | 46.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112 | V1040 W1062 L1090 P1096 | V1040-A1094 HydrophobicContact CG1-CB 4.21Å; V1040-A1094 HydrophobicContact CG2-CB 3.88Å; W1062-A1094 PolarHBondContact NE1-O 3.3Å; W1062-A1094 VanDerWaalsContact NE1-O 3.14Å; L1090-A1094 HydrophobicContact CB-CB 4.46Å; L1090-A1094 HydrophobicContact CD2-CB 3.94Å; L1090-A1094 CarbonylContact O-C 3.56Å; L1090-A1094 WeakPolarHBondContact O-CA 3.47Å; L1090-A1094 WeakPolarHBondContact O-CB 3.28Å; L1090-A1094 PolarHBondContact O-N 3.28Å; A1094-P1096 VanDerWaalsContact O-CD 3.29Å; A1094-P1096 WeakPolarHBondContact O-CD 3.37Å | ||
| 1095 | K | 66.3 | Low | 78 | Confident | 168 Ų | 168 | 75.9 Ų | 75.9 | 73% | 0.73 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -65 | 116.8 | 167.8 | -77.4 | -174.9 | 179.4 | 178.8 | 0 | 107.4 | D1097 | K1095-D1097 PolarHBondContact O-N 3.29Å; K1095-D1097 VanDerWaalsContact O-N 3.09Å |
| 1096 | P | 57.1 | Low | 78.3 | Confident | 92 Ų | 92 | 74.8 Ų | 74.8 | 60% | 0.597 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 116.5 | 177.5 | 25.3 | -30.9 | 0 | 0 | 0 | 107.8 | A1094 E1098 | A1094-P1096 VanDerWaalsContact O-CD 3.29Å; A1094-P1096 WeakPolarHBondContact O-CD 3.37Å; P1096-E1098 PolarHBondContact O-N 2.92Å |
| 1097 | D | 61.1 | Low | 78.6 | Confident | 95 Ų | 95 | 74.8 Ų | 74.8 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 126.3 | 164.7 | -171 | -9.7 | 0 | 0 | 0 | 106.8 | K1095 H1099 E1100 | K1095-D1097 PolarHBondContact O-N 3.29Å; K1095-D1097 VanDerWaalsContact O-N 3.09Å; D1097-H1099 PolarHBondContact O-N 3.27Å; D1097-H1099 IonicContact OD1-CD2 3.31Å; D1097-H1099 IonicContact OD1-CG 3.2Å; D1097-H1099 PolarHBondContact OD1-N 3.49Å; D1097-E1100 HydrophobicContact CB-CB 4.26Å; D1097-E1100 PolarHBondContact O-N 3.24Å |
| 1098 | E | 56.7 | Low | 78.9 | Confident | 193 Ų | 193 | 74.8 Ų | 74.8 | 90% | 0.902 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18.7 | 178.6 | -70.9 | -172.7 | 166.8 | 0 | 0 | 111.8 | P1096 | P1096-E1098 PolarHBondContact O-N 2.92Š|
| 1099 | H | 56.6 | Low | 79.3 | Confident | 161 Ų | 161 | 67 Ų | 67 | 75% | 0.745 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -13.9 | 177.9 | -61.9 | -54.4 | 0 | 0 | 0 | 115 | D1097 R1101 | D1097-H1099 PolarHBondContact O-N 3.27Å; D1097-H1099 IonicContact OD1-CD2 3.31Å; D1097-H1099 IonicContact OD1-CG 3.2Å; D1097-H1099 PolarHBondContact OD1-N 3.49Å; H1099-R1101 PolarHBondContact O-N 3.25Å |
| 1100 | E | 63.7 | Low | 79.7 | Confident | 55 Ų | 55 | 66.3 Ų | 66.3 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | trans | -76.7 | 112.1 | -177.1 | -166.3 | 175.4 | 176.8 | 0 | 0 | 111.1 | S1034 T1036 D1097 V1102 | S1034-E1100 WeakPolarHBondContact CB-OE1 3.32Å; S1034-E1100 PolarHBondContact OG-OE1 3.11Å; T1036-E1100 WeakPolarHBondContact CB-OE1 3.48Å; T1036-E1100 WeakPolarHBondContact CB-OE2 3.16Å; T1036-E1100 PolarHBondContact N-OE1 3.3Å; T1036-E1100 PolarHBondContact OG1-OE1 3.11Å; T1036-E1100 PolarHBondContact OG1-OE2 3.39Å; D1097-E1100 HydrophobicContact CB-CB 4.26Å; D1097-E1100 PolarHBondContact O-N 3.24Å; E1100-V1102 PolarHBondContact O-N 2.96Å | ||
| 1101 | R | 66.5 | Low | 80 | Confident | 223 Ų | 223 | 67 Ų | 67 | 84% | 0.842 | 34% | 0.343 | S | S | * | . | trans | -78.4 | 102.7 | 177.4 | -68.8 | -174.7 | -177.8 | -175.6 | 0.2 | 109.9 | H1099 | H1099-R1101 PolarHBondContact O-N 3.25Š| ||
| 1102 | V | 77.6 | Confident | 80.1 | Confident | 30 Ų | 30 | 64 Ų | 64 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 126.8 | 172 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | V1032 L1037 F1063 E1100 | V1032-V1102 HydrophobicContact CB-CG1 3.53Å; V1032-V1102 HydrophobicContact CG1-CG1 3.95Å; V1032-V1102 HydrophobicContact CG2-CG1 4.31Å; L1037-V1102 HydrophobicContact CD1-CG1 4.07Å; L1037-V1102 HydrophobicContact CD1-CG2 4.35Å; F1063-V1102 HydrophobicContact CD1-CB 4.26Å; F1063-V1102 HydrophobicContact CD1-CG1 3.86Å; F1063-V1102 HydrophobicContact CD1-CG2 4.21Å; F1063-V1102 HydrophobicContact CD2-CG2 4.04Å; F1063-V1102 HydrophobicContact CE1-CB 3.47Å; F1063-V1102 VanDerWaalsContact CE1-CB 3.47Å; F1063-V1102 HydrophobicContact CE1-CG1 3.52Å; F1063-V1102 HydrophobicContact CE1-CG2 3.57Å; F1063-V1102 HydrophobicContact CE2-CB 4.22Å; F1063-V1102 HydrophobicContact CE2-CG2 3.36Å; F1063-V1102 HydrophobicContact CG-CG2 4.43Å; F1063-V1102 HydrophobicContact CZ-CB 3.46Å; F1063-V1102 VanDerWaalsContact CZ-CB 3.46Å; F1063-V1102 HydrophobicContact CZ-CG1 4.01Å; F1063-V1102 HydrophobicContact CZ-CG2 3.11Å; E1100-V1102 PolarHBondContact O-N 2.96Å |
| 1103 | T | 84.4 | Confident | 79.9 | Confident | 70 Ų | 70 | 62.1 Ų | 62.1 | 43% | 0.429 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 129.9 | -178.6 | 38.4 | 0 | 0 | 0 | 0 | 111 | V1032 S1033 E1105 | V1032-T1103 WeakPolarHBondContact CA-O 3.27Å; S1033-T1103 PolarHBondContact N-O 2.95Å; S1033-T1103 VanDerWaalsContact N-O 3.12Å; S1033-T1103 PolarHBondContact O-N 3.01Å; S1033-T1103 VanDerWaalsContact O-N 3.13Å; S1033-T1103 PolarHBondContact O-OG1 3.14Å; S1033-T1103 VanDerWaalsContact O-OG1 3.1Å; S1033-T1103 PolarHBondContact OG-OG1 3.01Å; T1103-E1105 PolarHBondContact O-N 3.41Å |
| 1104 | N | 90 | Very high | 80 | Confident | 48 Ų | 48 | 63 Ų | 63 | 26% | 0.257 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 116.9 | 170.5 | -72.5 | -72.6 | 0 | 0 | 0 | 109.2 | R1030 P1130 | R1030-N1104 PolarHBondContact NH2-OD1 3.28Å; N1104-P1130 WeakPolarHBondContact O-CD 3.45Å; N1104-P1130 VanDerWaalsContact O-CG 3.29Å; N1104-P1130 WeakPolarHBondContact O-CG 3.49Å |
| 1105 | E | 94.5 | Very high | 80.8 | Confident | 32 Ų | 32 | 62.6 Ų | 62.6 | 15% | 0.15 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -92.4 | 156.9 | -175.6 | -64.6 | -70.3 | -168.5 | 0 | 0 | 112.4 | N934 H1031 S1033 T1103 I1107 | N934-E1105 HydrophobicContact CB-CG 4.26Å; N934-E1105 WeakPolarHBondContact CB-OE2 3.42Å; N934-E1105 PolarHBondContact ND2-OE2 2.94Å; N934-E1105 WeakPolarHBondContact O-CB 3.48Å; H1031-E1105 HydrophobicContact CB-CB 4.3Å; H1031-E1105 PolarHBondContact O-N 2.99Å; S1033-E1105 VanDerWaalsContact OG-CD 3.3Å; S1033-E1105 VanDerWaalsContact OG-CG 3.22Å; S1033-E1105 WeakPolarHBondContact OG-CG 3.28Å; S1033-E1105 PolarHBondContact OG-OE1 3.37Å; T1103-E1105 PolarHBondContact O-N 3.41Å; E1105-I1107 PolarHBondContact O-N 2.64Å |
| 1106 | P | 96.7 | Very high | 81.9 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 131.3 | -175.6 | -25.3 | 35.6 | 0 | 0 | 0 | 114.6 | W935 T936 P1130 P1344 | W935-P1106 HydrophobicContact CG-CB 4.44Å; T936-P1106 PolarHBondContact N-O 2.98Å; P1106-P1130 WeakPolarHBondContact CA-O 3.36Å; P1106-P1130 HydrophobicContact CG-CG 4.46Å; P1106-P1344 HydrophobicContact CB-CB 4.3Å; P1106-P1344 HydrophobicContact CB-CG 3.73Å; P1106-P1344 HydrophobicContact CG-CB 4.42Å; P1106-P1344 HydrophobicContact CG-CG 4.33Å |
| 1107 | I | 98.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.9 | 171.3 | -57.1 | -57.9 | 0 | 0 | 0 | 110.1 | T936 V938 H1031 E1105 F1109 T1129 P1130 V1131 T1132 | T936-I1107 HydrophobicContact CG2-CD1 4.31Å; T936-I1107 WeakPolarHBondContact O-CA 3.43Å; V938-I1107 HydrophobicContact CB-CG2 4.29Å; V938-I1107 HydrophobicContact CG2-CG2 4Å; H1031-I1107 HydrophobicContact CB-CD1 4Å; E1105-I1107 PolarHBondContact O-N 2.64Å; I1107-F1109 HydrophobicContact CG2-CD1 4.47Å; I1107-F1109 HydrophobicContact CG2-CD2 3.95Å; I1107-F1109 HydrophobicContact CG2-CE1 4.18Å; I1107-F1109 HydrophobicContact CG2-CE2 3.62Å; I1107-F1109 HydrophobicContact CG2-CG 4.35Å; I1107-F1109 HydrophobicContact CG2-CZ 3.74Å; I1107-T1129 HydrophobicContact CB-CG2 4.38Å; I1107-T1129 HydrophobicContact CG1-CG2 3.59Å; I1107-P1130 PolarHBondContact N-O 2.77Å; I1107-V1131 HydrophobicContact CB-CG2 4.28Å; I1107-V1131 WeakPolarHBondContact O-CA 3.35Å; I1107-T1132 PolarHBondContact O-N 2.95Å |
| 1108 | I | 98.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 108.2 | 173.8 | -54 | 178.4 | 0 | 0 | 0 | 107.7 | W935 T936 V937 V938 T1132 V1134 L1140 | W935-I1108 HydrophobicContact CD2-CD1 4.06Å; W935-I1108 HydrophobicContact CE3-CD1 3.57Å; W935-I1108 HydrophobicContact CZ3-CD1 4.12Å; T936-I1108 PolarHBondContact O-N 2.87Å; V937-I1108 WeakPolarHBondContact CA-O 3.35Å; V937-I1108 HydrophobicContact CG2-CB 4.37Å; V938-I1108 PolarHBondContact N-O 3.17Å; I1108-T1132 HydrophobicContact CB-CG2 4.3Å; I1108-T1132 HydrophobicContact CG1-CG2 3.8Å; I1108-T1132 HydrophobicContact CG2-CG2 4.34Å; I1108-V1134 HydrophobicContact CG2-CB 4.44Å; I1108-V1134 HydrophobicContact CG2-CG1 4.11Å; I1108-V1134 HydrophobicContact CG2-CG2 3.62Å; I1108-L1140 HydrophobicContact CD1-CD1 3.92Å; I1108-L1140 HydrophobicContact CD1-CD2 4.25Å; I1108-L1140 HydrophobicContact CG2-CD1 4.49Å; I1108-L1140 HydrophobicContact CG2-CD2 4.37Å |
| 1109 | F | 98.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 135.8 | 176.7 | -78.3 | -71.3 | 0 | 0 | 0 | 112.2 | V938 L940 L1029 I1107 L1111 I1120 L1126 V1131 T1132 R1133 V1134 | V938-F1109 HydrophobicContact CB-CD1 3.87Å; V938-F1109 HydrophobicContact CB-CE1 3.75Å; V938-F1109 HydrophobicContact CG1-CD1 4.03Å; V938-F1109 HydrophobicContact CG1-CE1 3.67Å; V938-F1109 VanDerWaalsContact O-CA 3.29Å; V938-F1109 WeakPolarHBondContact O-CA 3.47Å; V938-F1109 WeakPolarHBondContact O-CD1 3.26Å; L940-F1109 HydrophobicContact CD1-CE1 4.47Å; L1029-F1109 HydrophobicContact CB-CZ 4.35Å; L1029-F1109 HydrophobicContact CD2-CE1 4.14Å; L1029-F1109 HydrophobicContact CD2-CZ 4.49Å; I1107-F1109 HydrophobicContact CG2-CD1 4.47Å; I1107-F1109 HydrophobicContact CG2-CD2 3.95Å; I1107-F1109 HydrophobicContact CG2-CE1 4.18Å; I1107-F1109 HydrophobicContact CG2-CE2 3.62Å; I1107-F1109 HydrophobicContact CG2-CG 4.35Å; I1107-F1109 HydrophobicContact CG2-CZ 3.74Å; F1109-L1111 HydrophobicContact CB-CD2 4.15Å; F1109-L1111 HydrophobicContact CB-CG 4.34Å; F1109-L1111 HydrophobicContact CD1-CD2 4.23Å; F1109-L1111 HydrophobicContact CG-CD2 4.43Å; F1109-I1120 HydrophobicContact CZ-CG2 4.32Å; F1109-L1126 HydrophobicContact CE2-CD1 3.9Å; F1109-L1126 HydrophobicContact CZ-CD1 3.71Å; F1109-V1131 HydrophobicContact CD2-CG1 3.44Å; F1109-V1131 VanDerWaalsContact CD2-CG1 3.44Å; F1109-V1131 HydrophobicContact CE2-CG1 3.63Å; F1109-V1131 HydrophobicContact CE2-CG2 4.05Å; F1109-T1132 PolarHBondContact N-O 3.12Å; F1109-R1133 HydrophobicContact CB-CG 4.21Å; F1109-R1133 CarbonylContact O-C 3.57Å; F1109-R1133 VanDerWaalsContact O-CA 3.27Å; F1109-R1133 WeakPolarHBondContact O-CA 3.33Å; F1109-V1134 PolarHBondContact O-N 3.46Å |
| 1110 | I | 97.4 | Very high | 88.6 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.7 | 161.2 | -64.8 | 167.1 | 0 | 0 | 0 | 106.4 | I891 V937 V938 T939 L940 V1134 L1137 | I891-I1110 HydrophobicContact CD1-CG2 3.95Å; I891-I1110 HydrophobicContact CG2-CG2 3.85Å; V937-I1110 HydrophobicContact CG1-CD1 3.63Å; V937-I1110 HydrophobicContact CG1-CG1 4.21Å; V938-I1110 PolarHBondContact O-N 3.09Å; T939-I1110 CarbonylContact C-O 3.37Å; T939-I1110 WeakPolarHBondContact CA-O 3.11Å; T939-I1110 HydrophobicContact CG2-CB 4.2Å; T939-I1110 HydrophobicContact CG2-CG2 4.05Å; L940-I1110 PolarHBondContact N-O 3.06Å; I1110-V1134 HydrophobicContact CD1-CG2 4.18Å; I1110-V1134 HydrophobicContact CG1-CG2 3.59Å; I1110-L1137 HydrophobicContact CD1-CB 4.17Å |
| 1111 | L | 94.2 | Very high | 90.1 | Very high | 15 Ų | 15 | 28.7 Ų | 28.7 | 8% | 0.079 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.2 | -179.5 | -57.5 | -175.5 | 0 | 0 | 0 | 108.5 | L940 F1109 L1115 I1120 R1133 | L940-L1111 HydrophobicContact CB-CD2 3.87Å; L940-L1111 HydrophobicContact CD1-CD2 3.89Å; L940-L1111 HydrophobicContact CG-CD2 4.14Å; F1109-L1111 HydrophobicContact CB-CD2 4.15Å; F1109-L1111 HydrophobicContact CB-CG 4.34Å; F1109-L1111 HydrophobicContact CD1-CD2 4.23Å; F1109-L1111 HydrophobicContact CG-CD2 4.43Å; L1111-L1115 HydrophobicContact CB-CB 4.11Å; L1111-L1115 WeakPolarHBondContact CD1-O 3.18Å; L1111-I1120 HydrophobicContact CD1-CD1 4.18Å; L1111-I1120 HydrophobicContact CD2-CD1 3.92Å; L1111-R1133 VanDerWaalsContact CD1-CZ 3.43Å |
| 1112 | S | 88.3 | Confident | 91.5 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 4% | 0.035 | 10% | 0.102 | C | C | . | . | trans | -60.2 | 161.4 | 172.8 | 71.7 | 0 | 0 | 0 | 0 | 110.9 | L940 L942 D1114 L1115 C1116 | L940-S1112 PolarHBondContact O-N 3.29Å; L942-S1112 PolarHBondContact N-OG 3.25Å; S1112-D1114 VanDerWaalsContact C-N 3.29Å; S1112-D1114 PolarHBondContact O-N 3.38Å; S1112-L1115 PolarHBondContact O-N 3.11Å; S1112-C1116 PolarHBondContact O-N 2.85Å | ||
| 1113 | K | 79.7 | Confident | 92.4 | Very high | 39 Ų | 39 | 17 Ų | 17 | 17% | 0.17 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -31.4 | -56.2 | -177.5 | 174.7 | -173.9 | 161.7 | 155.3 | 0 | 114.9 | L1115 C1116 P1245 G1246 R1247 Y1249 E1250 | K1113-L1115 VanDerWaalsContact C-N 3.33Å; K1113-L1115 PolarHBondContact O-N 3.41Å; K1113-C1116 PolarHBondContact O-SG 3.49Å; K1113-P1245 HydrophobicContact CD-CG 4.22Å; K1113-P1245 HydrophobicContact CG-CG 3.94Å; K1113-G1246 PolarHBondContact NZ-O 3.17Å; K1113-R1247 PolarHBondContact NZ-O 2.64Å; K1113-Y1249 WeakPolarHBondContact CD-O 3.26Å; K1113-Y1249 WeakPolarHBondContact CE-O 3.38Å; K1113-Y1249 PolarHBondContact NZ-O 3.48Å; K1113-E1250 HydrophobicContact CB-CG 4.28Å; K1113-E1250 HydrophobicContact CD-CG 4.44Å; K1113-E1250 HydrophobicContact CG-CG 4.33Å |
| 1114 | D | 81.4 | Confident | 92.9 | Very high | 71 Ų | 71 | 18.8 Ų | 18.8 | 38% | 0.38 | 10% | 0.096 | S | C | . | . | G | 310 helix | trans | -79.4 | -18.1 | -171.5 | -54.7 | -65.7 | 0 | 0 | 0 | 113 | L942 L977 S1112 | L942-D1114 HydrophobicContact CD2-CB 4.08Å; L977-D1114 HydrophobicContact CD1-CB 3.97Å; L977-D1114 VanDerWaalsContact CD2-O 3.31Å; L977-D1114 WeakPolarHBondContact CD2-O 3.24Å; S1112-D1114 VanDerWaalsContact C-N 3.29Å; S1112-D1114 PolarHBondContact O-N 3.38Å |
| 1115 | L | 90.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -93.5 | -10.2 | -176.4 | -55.4 | -174.6 | 0 | 0 | 0 | 113.4 | L940 L942 L951 W1021 L1111 S1112 K1113 M1117 L1118 | L940-L1115 HydrophobicContact CB-CD1 3.96Å; L942-L1115 HydrophobicContact CB-CD1 4.11Å; L942-L1115 HydrophobicContact CB-CD2 4.24Å; L942-L1115 HydrophobicContact CB-CG 4.1Å; L942-L1115 HydrophobicContact CD2-CD2 4.23Å; L951-L1115 HydrophobicContact CD1-CD1 3.74Å; W1021-L1115 HydrophobicContact CH2-CD2 3.63Å; W1021-L1115 HydrophobicContact CZ3-CD2 3.84Å; L1111-L1115 HydrophobicContact CB-CB 4.11Å; L1111-L1115 WeakPolarHBondContact CD1-O 3.18Å; S1112-L1115 PolarHBondContact O-N 3.11Å; K1113-L1115 VanDerWaalsContact C-N 3.33Å; K1113-L1115 PolarHBondContact O-N 3.41Å; L1115-M1117 PolarHBondContact O-N 3.09Å; L1115-M1117 VanDerWaalsContact O-N 3.1Å; L1115-L1118 HydrophobicContact CB-CD1 4.08Å; L1115-L1118 HydrophobicContact CD2-CD1 3.66Å; L1115-L1118 HydrophobicContact CG-CD1 4.43Å; L1115-L1118 WeakPolarHBondContact O-CB 3.44Å; L1115-L1118 PolarHBondContact O-N 3.18Å |
| 1116 | C | 88.9 | Confident | 93 | Very high | 15 Ų | 15 | 15.7 Ų | 15.7 | 10% | 0.101 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -28.4 | -169.8 | 67.7 | 0 | 0 | 0 | 0 | 115.1 | S1112 K1113 R1133 L1242 P1251 | S1112-C1116 PolarHBondContact O-N 2.85Å; K1113-C1116 PolarHBondContact O-SG 3.49Å; C1116-R1133 PolarHBondContact O-NH1 3.41Å; C1116-L1242 HydrophobicContact CB-CD1 3.95Å; C1116-P1251 HydrophobicContact CB-CG 4.31Å; C1116-P1251 WeakPolarHBondContact SG-CG 3.38Å |
| 1117 | M | 89.1 | Confident | 92.7 | Very high | 37 Ų | 37 | 17.6 Ų | 17.6 | 18% | 0.182 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -11.8 | 179 | -69.4 | -54.7 | -54.6 | 0 | 0 | 113.5 | L1115 R1241 L1270 | L1115-M1117 PolarHBondContact O-N 3.09Å; L1115-M1117 VanDerWaalsContact O-N 3.1Å; M1117-R1241 HydrophobicContact CE-CB 4.42Å; M1117-R1241 HydrophobicContact CE-CG 3.79Å; M1117-R1241 HydrophobicContact SD-CG 3.99Å; M1117-L1270 HydrophobicContact CE-CB 4.12Å; M1117-L1270 HydrophobicContact CE-CD2 4.14Å; M1117-L1270 WeakPolarHBondContact CE-O 3.44Å; M1117-L1270 HydrophobicContact SD-CD2 4.46Å |
| 1118 | L | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -66.6 | 130.3 | -178.9 | -72.6 | 172 | 0 | 0 | 0 | 110.3 | A976 L977 L980 F1013 W1021 L1115 I1120 R1133 | A976-L1118 HydrophobicContact CB-CD2 4.32Å; L977-L1118 HydrophobicContact CD2-CD1 4.1Å; L977-L1118 HydrophobicContact CD2-CD2 3.87Å; L977-L1118 HydrophobicContact CD2-CG 3.86Å; L980-L1118 HydrophobicContact CD2-CD2 4.02Å; F1013-L1118 HydrophobicContact CZ-CD2 4.02Å; W1021-L1118 HydrophobicContact CH2-CD1 3.61Å; W1021-L1118 HydrophobicContact CZ3-CD1 3.44Å; W1021-L1118 VanDerWaalsContact CZ3-CD1 3.44Å; L1115-L1118 HydrophobicContact CB-CD1 4.08Å; L1115-L1118 HydrophobicContact CD2-CD1 3.66Å; L1115-L1118 HydrophobicContact CG-CD1 4.43Å; L1115-L1118 WeakPolarHBondContact O-CB 3.44Å; L1115-L1118 PolarHBondContact O-N 3.18Å; L1118-I1120 HydrophobicContact CB-CD1 4.11Å; L1118-I1120 HydrophobicContact CB-CG1 3.71Å; L1118-I1120 HydrophobicContact CD1-CD1 4.24Å; L1118-I1120 HydrophobicContact CD1-CG1 4.49Å; L1118-I1120 PolarHBondContact O-N 3.02Å; L1118-R1133 VanDerWaalsContact O-CZ 3.29Å; L1118-R1133 PolarHBondContact O-NH1 3.39Å; L1118-R1133 PolarHBondContact O-NH2 3.4Å | ||
| 1119 | P | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -79.7 | 48.6 | 176.8 | 33.9 | -37.4 | 0 | 0 | 0 | 112.6 | F1013 L1014 H1121 A1122 L1270 W1271 A1336 | F1013-P1119 HydrophobicContact CE1-CG 4.11Å; L1014-P1119 HydrophobicContact CD2-CB 4.36Å; L1014-P1119 HydrophobicContact CD2-CG 3.82Å; P1119-H1121 PolarHBondContact O-N 3.03Å; P1119-A1122 WeakPolarHBondContact O-CB 3.48Å; P1119-A1122 PolarHBondContact O-N 3.34Å; P1119-L1270 HydrophobicContact CB-CD1 4.33Å; P1119-W1271 HydrophobicContact CB-CH2 3.81Å; P1119-W1271 HydrophobicContact CB-CZ3 4.28Å; P1119-W1271 HydrophobicContact CG-CH2 3.92Å; P1119-W1271 HydrophobicContact CG-CZ3 4.33Å; P1119-A1336 HydrophobicContact CB-CB 4.08Å | ||
| 1120 | I | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -53.2 | -35.1 | -174.8 | -62.8 | -179.8 | 0 | 0 | 0 | 112.6 | L940 L1017 F1109 L1111 L1118 A1122 I1123 L1126 | L940-I1120 HydrophobicContact CD1-CD1 3.46Å; L940-I1120 VanDerWaalsContact CD1-CD1 3.46Å; L1017-I1120 HydrophobicContact CD2-CG1 4.46Å; F1109-I1120 HydrophobicContact CZ-CG2 4.32Å; L1111-I1120 HydrophobicContact CD1-CD1 4.18Å; L1111-I1120 HydrophobicContact CD2-CD1 3.92Å; L1118-I1120 HydrophobicContact CB-CD1 4.11Å; L1118-I1120 HydrophobicContact CB-CG1 3.71Å; L1118-I1120 HydrophobicContact CD1-CD1 4.24Å; L1118-I1120 HydrophobicContact CD1-CG1 4.49Å; L1118-I1120 PolarHBondContact O-N 3.02Å; I1120-A1122 PolarHBondContact O-N 3.03Å; I1120-I1123 WeakPolarHBondContact O-CG1 3.36Å; I1120-I1123 PolarHBondContact O-N 2.85Å; I1120-L1126 HydrophobicContact CG2-CD1 3.85Å; I1120-L1126 WeakPolarHBondContact O-CD1 3.34Å |
| 1121 | H | 94.9 | Very high | 92 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -61.7 | -14.8 | 178.2 | 69.2 | -85.9 | 0 | 0 | 0 | 114.1 | P1119 V1131 R1325 A1336 I1338 L1339 | P1119-H1121 PolarHBondContact O-N 3.03Å; H1121-V1131 HydrophobicContact CB-CB 4.11Å; H1121-V1131 HydrophobicContact CB-CG1 3.65Å; H1121-R1325 PolarHBondContact CD2-NH2 2.81Å; H1121-R1325 PolarHBondContact NE2-NH2 3.48Å; H1121-A1336 PolarHBondContact CE1-O 3.15Å; H1121-A1336 PolarHBondContact NE2-O 3.41Å; H1121-I1338 PolarHBondContact NE2-O 3.33Å; H1121-L1339 HydrophobicContact CB-CD1 4.35Å; H1121-L1339 WeakPolarHBondContact ND1-CD1 3.48Å |
| 1122 | A | 95.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 20.6 Ų | 20.6 | 7% | 0.066 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -100.8 | -2.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1014 P1119 I1120 R1127 A1336 | L1014-A1122 HydrophobicContact CD1-CB 3.96Å; L1014-A1122 HydrophobicContact CD2-CB 4Å; P1119-A1122 WeakPolarHBondContact O-CB 3.48Å; P1119-A1122 PolarHBondContact O-N 3.34Å; I1120-A1122 PolarHBondContact O-N 3.03Å; A1122-R1127 WeakPolarHBondContact O-CG 3.41Å; A1122-R1127 PolarHBondContact O-NE 3.21Å; A1122-A1336 HydrophobicContact CB-CB 3.43Å; A1122-A1336 VanDerWaalsContact CB-CB 3.43Å |
| 1123 | I | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -62.2 | 152.4 | 170 | 73.4 | -177.4 | 0 | 0 | 0 | 110 | L1014 L1017 E1018 F1022 L1029 I1120 S1125 L1126 R1127 | L1014-I1123 HydrophobicContact CD2-CG2 4.26Å; L1017-I1123 HydrophobicContact CD2-CG2 4.11Å; L1017-I1123 HydrophobicContact CG-CG2 4.49Å; E1018-I1123 HydrophobicContact CB-CB 4.12Å; E1018-I1123 HydrophobicContact CB-CG2 4.35Å; E1018-I1123 HydrophobicContact CG-CB 4.5Å; E1018-I1123 HydrophobicContact CG-CD1 4.39Å; F1022-I1123 HydrophobicContact CD2-CD1 4.06Å; F1022-I1123 HydrophobicContact CE2-CD1 4.21Å; L1029-I1123 HydrophobicContact CD1-CD1 3.93Å; I1120-I1123 WeakPolarHBondContact O-CG1 3.36Å; I1120-I1123 PolarHBondContact O-N 2.85Å; I1123-S1125 VanDerWaalsContact C-N 3.33Å; I1123-S1125 PolarHBondContact O-N 3.15Å; I1123-L1126 HydrophobicContact CD1-CD1 3.82Å; I1123-L1126 HydrophobicContact CD1-CG 4.03Å; I1123-L1126 HydrophobicContact CG1-CB 3.96Å; I1123-L1126 HydrophobicContact CG1-CD1 3.92Å; I1123-L1126 HydrophobicContact CG1-CG 3.86Å; I1123-L1126 PolarHBondContact O-N 3.35Å; I1123-R1127 VanDerWaalsContact O-CG 3.24Å; I1123-R1127 WeakPolarHBondContact O-CG 3.45Å; I1123-R1127 PolarHBondContact O-N 3.17Å |
| 1124 | E | 93.9 | Very high | 93.4 | Very high | 106 Ų | 106 | 19 Ų | 19 | 50% | 0.495 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | -51.8 | -51.4 | -170.3 | -171.6 | 68.9 | -121.4 | 0 | 0 | 111.8 | E1018 L1126 R1127 | E1018-E1124 WeakPolarHBondContact OE2-CA 2.89Å; E1018-E1124 WeakPolarHBondContact OE2-CB 3.46Å; E1018-E1124 PolarHBondContact OE2-N 3.02Å; E1124-L1126 PolarHBondContact O-N 3.34Å; E1124-L1126 VanDerWaalsContact O-N 3.13Å; E1124-R1127 PolarHBondContact O-N 3.22Å; E1124-R1127 IonicContact OE1-CZ 3.79Å; E1124-R1127 IonicContact OE1-NH1 3.63Å; E1124-R1127 PolarHBondContact OE1-NH1 3.02Å; E1124-R1127 IonicContact OE2-CZ 2.7Å; E1124-R1127 IonicContact OE2-NH1 2.73Å; E1124-R1127 PolarHBondContact OE2-NH1 3.02Å; E1124-R1127 IonicContact OE2-NH2 3.69Å; E1124-R1127 PolarHBondContact OE2-NH2 2.99Å |
| 1125 | S | 91.7 | Very high | 93.9 | Very high | 15 Ų | 15 | 16.9 Ų | 16.9 | 11% | 0.105 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -59.3 | -26.5 | -178.8 | 46.2 | 0 | 0 | 0 | 0 | 114.1 | E1018 R1030 I1123 | E1018-S1125 WeakPolarHBondContact OE1-CB 3.33Å; E1018-S1125 PolarHBondContact OE1-N 2.87Å; E1018-S1125 PolarHBondContact OE1-OG 3.34Å; R1030-S1125 WeakPolarHBondContact CD-O 3.45Å; R1030-S1125 VanDerWaalsContact CZ-O 3.26Å; R1030-S1125 PolarHBondContact NE-O 3.32Å; R1030-S1125 VanDerWaalsContact NE-O 3.16Å; R1030-S1125 PolarHBondContact NH1-O 2.75Å; I1123-S1125 VanDerWaalsContact C-N 3.33Å; I1123-S1125 PolarHBondContact O-N 3.15Å |
| 1126 | L | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -99.8 | -10.2 | -176.9 | -66.6 | 179.1 | 0 | 0 | 0 | 114.5 | L1029 R1030 F1109 I1120 I1123 E1124 Q1128 T1129 | L1029-L1126 HydrophobicContact CB-CD1 4.33Å; L1029-L1126 HydrophobicContact CB-CD2 4.05Å; L1029-L1126 HydrophobicContact CD1-CD1 4.26Å; R1030-L1126 HydrophobicContact CG-CD2 3.43Å; R1030-L1126 VanDerWaalsContact CG-CD2 3.43Å; F1109-L1126 HydrophobicContact CE2-CD1 3.9Å; F1109-L1126 HydrophobicContact CZ-CD1 3.71Å; I1120-L1126 HydrophobicContact CG2-CD1 3.85Å; I1120-L1126 WeakPolarHBondContact O-CD1 3.34Å; I1123-L1126 HydrophobicContact CD1-CD1 3.82Å; I1123-L1126 HydrophobicContact CD1-CG 4.03Å; I1123-L1126 HydrophobicContact CG1-CB 3.96Å; I1123-L1126 HydrophobicContact CG1-CD1 3.92Å; I1123-L1126 HydrophobicContact CG1-CG 3.86Å; I1123-L1126 PolarHBondContact O-N 3.35Å; E1124-L1126 PolarHBondContact O-N 3.34Å; E1124-L1126 VanDerWaalsContact O-N 3.13Å; L1126-Q1128 PolarHBondContact O-N 3.22Å; L1126-Q1128 VanDerWaalsContact O-N 3.09Å; L1126-T1129 HydrophobicContact CD2-CG2 4.31Å; L1126-T1129 WeakPolarHBondContact O-CB 3.25Å; L1126-T1129 PolarHBondContact O-N 3.39Å |
| 1127 | R | 92 | Very high | 94.5 | Very high | 55 Ų | 55 | 16.3 Ų | 16.3 | 21% | 0.208 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.9 | -173.7 | -62.1 | -166.4 | -156 | 126.8 | 13.7 | 114.8 | A1122 I1123 E1124 N1322 | A1122-R1127 WeakPolarHBondContact O-CG 3.41Å; A1122-R1127 PolarHBondContact O-NE 3.21Å; I1123-R1127 VanDerWaalsContact O-CG 3.24Å; I1123-R1127 WeakPolarHBondContact O-CG 3.45Å; I1123-R1127 PolarHBondContact O-N 3.17Å; E1124-R1127 PolarHBondContact O-N 3.22Å; E1124-R1127 IonicContact OE1-CZ 3.79Å; E1124-R1127 IonicContact OE1-NH1 3.63Å; E1124-R1127 PolarHBondContact OE1-NH1 3.02Å; E1124-R1127 IonicContact OE2-CZ 2.7Å; E1124-R1127 IonicContact OE2-NH1 2.73Å; E1124-R1127 PolarHBondContact OE2-NH1 3.02Å; E1124-R1127 IonicContact OE2-NH2 3.69Å; E1124-R1127 PolarHBondContact OE2-NH2 2.99Å; R1127-N1322 VanDerWaalsContact O-CB 3.26Å; R1127-N1322 WeakPolarHBondContact O-CB 3.47Å; R1127-N1322 PolarHBondContact O-ND2 2.63Å |
| 1128 | Q | 89.1 | Confident | 94.7 | Very high | 76 Ų | 76 | 14.5 Ų | 14.5 | 36% | 0.355 | 7% | 0.071 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -0.8 | 174.6 | -55.8 | -52.1 | -32.9 | 0 | 0 | 113.1 | L1126 | L1126-Q1128 PolarHBondContact O-N 3.22Å; L1126-Q1128 VanDerWaalsContact O-N 3.09Å |
| 1129 | T | 93.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -88.8 | 132.1 | 179.4 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | R1030 I1107 L1126 V1131 N1322 | R1030-T1129 HydrophobicContact CG-CG2 4.46Å; R1030-T1129 PolarHBondContact NE-OG1 3.1Å; I1107-T1129 HydrophobicContact CB-CG2 4.38Å; I1107-T1129 HydrophobicContact CG1-CG2 3.59Å; L1126-T1129 HydrophobicContact CD2-CG2 4.31Å; L1126-T1129 WeakPolarHBondContact O-CB 3.25Å; L1126-T1129 PolarHBondContact O-N 3.39Å; T1129-V1131 HydrophobicContact CG2-CG2 4.06Å; T1129-V1131 WeakPolarHBondContact O-CG2 3.34Å; T1129-V1131 PolarHBondContact O-N 3.17Å; T1129-V1131 VanDerWaalsContact O-N 3.12Å; T1129-N1322 VanDerWaalsContact C-ND2 3.29Å; T1129-N1322 PolarHBondContact O-ND2 3.04Å |
| 1130 | P | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.013 | 7% | 0.071 | C | C | . | . | trans | -69.3 | 109.7 | 175.2 | 19.7 | -21.3 | 0 | 0 | 0 | 109.9 | N1104 P1106 I1107 L1318 L1319 | N1104-P1130 WeakPolarHBondContact O-CD 3.45Å; N1104-P1130 VanDerWaalsContact O-CG 3.29Å; N1104-P1130 WeakPolarHBondContact O-CG 3.49Å; P1106-P1130 WeakPolarHBondContact CA-O 3.36Å; P1106-P1130 HydrophobicContact CG-CG 4.46Å; I1107-P1130 PolarHBondContact N-O 2.77Å; P1130-L1318 HydrophobicContact CB-CB 3.58Å; P1130-L1318 HydrophobicContact CB-CD1 4.17Å; P1130-L1319 HydrophobicContact CB-CD2 3.94Å; P1130-L1319 HydrophobicContact CB-CG 4.14Å; P1130-L1319 HydrophobicContact CG-CD2 3.89Å; P1130-L1319 HydrophobicContact CG-CG 4.34Å | ||
| 1131 | V | 97.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.012 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133 | -171.2 | 172.7 | 0 | 0 | 0 | 0 | 112 | I1107 F1109 H1121 T1129 | I1107-V1131 HydrophobicContact CB-CG2 4.28Å; I1107-V1131 WeakPolarHBondContact O-CA 3.35Å; F1109-V1131 HydrophobicContact CD2-CG1 3.44Å; F1109-V1131 VanDerWaalsContact CD2-CG1 3.44Å; F1109-V1131 HydrophobicContact CE2-CG1 3.63Å; F1109-V1131 HydrophobicContact CE2-CG2 4.05Å; H1121-V1131 HydrophobicContact CB-CB 4.11Å; H1121-V1131 HydrophobicContact CB-CG1 3.65Å; T1129-V1131 HydrophobicContact CG2-CG2 4.06Å; T1129-V1131 WeakPolarHBondContact O-CG2 3.34Å; T1129-V1131 PolarHBondContact O-N 3.17Å; T1129-V1131 VanDerWaalsContact O-N 3.12Å |
| 1132 | T | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 169.9 | 170.2 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | I1107 I1108 F1109 L1318 S1340 G1342 P1344 | I1107-T1132 PolarHBondContact O-N 2.95Å; I1108-T1132 HydrophobicContact CB-CG2 4.3Å; I1108-T1132 HydrophobicContact CG1-CG2 3.8Å; I1108-T1132 HydrophobicContact CG2-CG2 4.34Å; F1109-T1132 PolarHBondContact N-O 3.12Å; T1132-L1318 HydrophobicContact CG2-CD1 4.1Å; T1132-S1340 CarbonylContact C-O 3.54Å; T1132-S1340 WeakPolarHBondContact CA-O 3.37Å; T1132-S1340 PolarHBondContact OG1-O 3.09Å; T1132-S1340 PolarHBondContact OG1-OG 3.18Å; T1132-G1342 WeakPolarHBondContact CG2-O 3.38Å; T1132-G1342 PolarHBondContact OG1-N 3.13Å; T1132-G1342 PolarHBondContact OG1-O 2.59Å; T1132-P1344 HydrophobicContact CG2-CG 4.34Å |
| 1133 | R | 96.9 | Very high | 94.7 | Very high | 7 Ų | 7 | 14.5 Ų | 14.5 | 3% | 0.026 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 149.3 | 178 | -55.5 | -159.2 | -178.2 | 159.8 | -2.6 | 114 | F1109 L1111 C1116 L1118 L1339 S1340 Y1341 G1342 | F1109-R1133 HydrophobicContact CB-CG 4.21Å; F1109-R1133 CarbonylContact O-C 3.57Å; F1109-R1133 VanDerWaalsContact O-CA 3.27Å; F1109-R1133 WeakPolarHBondContact O-CA 3.33Å; L1111-R1133 VanDerWaalsContact CD1-CZ 3.43Å; C1116-R1133 PolarHBondContact O-NH1 3.41Å; L1118-R1133 VanDerWaalsContact O-CZ 3.29Å; L1118-R1133 PolarHBondContact O-NH1 3.39Å; L1118-R1133 PolarHBondContact O-NH2 3.4Å; R1133-L1339 HydrophobicContact CG-CD1 4.1Å; R1133-L1339 HydrophobicContact CG-CD2 4.24Å; R1133-L1339 HydrophobicContact CG-CG 4.43Å; R1133-L1339 VanDerWaalsContact NH1-CD2 3.32Å; R1133-S1340 PolarHBondContact N-O 2.83Å; R1133-Y1341 HydrophobicContact CB-CD1 3.72Å; R1133-Y1341 HydrophobicContact CB-CE1 4.04Å; R1133-Y1341 HydrophobicContact CB-CG 4.38Å; R1133-Y1341 CarbonylContact O-C 3.49Å; R1133-Y1341 WeakPolarHBondContact O-CA 3.25Å; R1133-G1342 PolarHBondContact O-N 3.05Å |
| 1134 | V | 95.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 15.2 Ų | 15.2 | 2% | 0.024 | 7% | 0.074 | C | C | . | . | trans | -134.7 | 149.9 | 166.7 | -66 | 0 | 0 | 0 | 0 | 109.8 | I1108 F1109 I1110 S1136 L1140 L1143 | I1108-V1134 HydrophobicContact CG2-CB 4.44Å; I1108-V1134 HydrophobicContact CG2-CG1 4.11Å; I1108-V1134 HydrophobicContact CG2-CG2 3.62Å; F1109-V1134 PolarHBondContact O-N 3.46Å; I1110-V1134 HydrophobicContact CD1-CG2 4.18Å; I1110-V1134 HydrophobicContact CG1-CG2 3.59Å; V1134-S1136 PolarHBondContact O-N 2.96Å; V1134-L1140 HydrophobicContact CG1-CD1 4.38Å; V1134-L1140 HydrophobicContact CG2-CB 4.01Å; V1134-L1143 HydrophobicContact CG1-CD1 4.45Å | ||
| 1135 | P | 92.4 | Very high | 94.3 | Very high | 27 Ų | 27 | 13.5 Ų | 13.5 | 18% | 0.175 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -63.5 | -39.9 | -176.7 | -24.4 | 33.1 | 0 | 0 | 0 | 113.5 | I891 A892 F1139 | I891-P1135 VanDerWaalsContact CG2-O 3.27Å; I891-P1135 WeakPolarHBondContact CG2-O 3.41Å; A892-P1135 HydrophobicContact CB-CB 4.05Å; P1135-F1139 HydrophobicContact CB-CD2 3.75Å; P1135-F1139 HydrophobicContact CB-CE2 4.03Å; P1135-F1139 HydrophobicContact CB-CG 4.12Å; P1135-F1139 HydrophobicContact CG-CB 4.39Å; P1135-F1139 HydrophobicContact CG-CD1 4.08Å; P1135-F1139 HydrophobicContact CG-CD2 4Å; P1135-F1139 HydrophobicContact CG-CE1 4.34Å; P1135-F1139 HydrophobicContact CG-CE2 4.28Å; P1135-F1139 HydrophobicContact CG-CG 3.89Å; P1135-F1139 HydrophobicContact CG-CZ 4.44Å |
| 1136 | S | 94.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -155.5 | 174.2 | 174.9 | 68.2 | 0 | 0 | 0 | 0 | 111.4 | V1134 H1138 F1139 L1140 | V1134-S1136 PolarHBondContact O-N 2.96Å; S1136-H1138 PolarHBondContact O-N 3.15Å; S1136-H1138 WeakPolarHBondContact OG-CB 3.4Å; S1136-H1138 PolarHBondContact OG-N 3.46Å; S1136-H1138 PolarHBondContact OG-ND1 3.29Å; S1136-H1138 VanDerWaalsContact OG-ND1 3.14Å; S1136-F1139 PolarHBondContact O-N 3.32Å; S1136-L1140 PolarHBondContact O-N 3.43Å; S1136-L1140 VanDerWaalsContact O-N 3.14Å | ||
| 1137 | L | 97.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.8 | -29.4 | 173.5 | -173.3 | 66.5 | 0 | 0 | 0 | 111.6 | C888 F918 V924 V928 M956 I1110 L1140 A1141 | C888-L1137 HydrophobicContact CB-CB 4.37Å; C888-L1137 HydrophobicContact CB-CD2 4.31Å; F918-L1137 HydrophobicContact CE2-CB 4.1Å; F918-L1137 HydrophobicContact CE2-CD2 3.84Å; F918-L1137 HydrophobicContact CE2-CG 3.98Å; F918-L1137 HydrophobicContact CZ-CD2 4.16Å; F918-L1137 HydrophobicContact CZ-CG 4.07Å; V924-L1137 HydrophobicContact CG1-CD2 3.79Å; V924-L1137 HydrophobicContact CG2-CD2 4.43Å; V928-L1137 HydrophobicContact CG2-CD2 4.46Å; M956-L1137 HydrophobicContact CE-CD1 4.23Å; M956-L1137 HydrophobicContact CE-CD2 4.23Å; I1110-L1137 HydrophobicContact CD1-CB 4.17Å; L1137-L1140 HydrophobicContact CD1-CD2 4.17Å; L1137-L1140 WeakPolarHBondContact O-CB 3.36Å; L1137-L1140 PolarHBondContact O-N 2.95Å; L1137-A1141 WeakPolarHBondContact O-CB 3.45Å; L1137-A1141 PolarHBondContact O-N 3.44Å |
| 1138 | H | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.7 | -42.5 | 175.5 | -49 | 78.7 | 0 | 0 | 0 | 112.6 | C888 E889 R896 F914 P915 F918 S1136 L1140 A1141 F1142 | C888-H1138 PolarHBondContact O-CE1 3.44Å; E889-H1138 IonicContact OE1-CD2 3.28Å; E889-H1138 IonicContact OE1-CE1 2.69Å; E889-H1138 PolarHBondContact OE1-CE1 3.41Å; E889-H1138 IonicContact OE1-NE2 2.81Å; E889-H1138 PolarHBondContact OE1-NE2 3.43Å; E889-H1138 IonicContact OE2-NE2 3.85Å; R896-H1138 VanDerWaalsContact CD-ND1 3.34Å; R896-H1138 WeakPolarHBondContact CD-ND1 3.44Å; R896-H1138 HydrophobicContact CG-CB 4.34Å; R896-H1138 PolarHBondContact NH1-CE1 3.26Å; R896-H1138 PolarHBondContact NH1-NE2 2.72Å; F914-H1138 HydrophobicContact CE1-CB 4.1Å; F914-H1138 HydrophobicContact CZ-CB 4.11Å; P915-H1138 HydrophobicContact CG-CB 4.33Å; P915-H1138 WeakPolarHBondContact O-CB 3.4Å; P915-H1138 PolarHBondContact O-CD2 3.47Å; F918-H1138 AromaticContact CD2-CD2 3.68Å; F918-H1138 AromaticContact CD2-CE1 3.82Å; F918-H1138 AromaticContact CD2-NE2 3.25Å; F918-H1138 VanDerWaalsContact CD2-NE2 3.25Å; F918-H1138 WeakPolarHBondContact CD2-NE2 3.24Å; F918-H1138 AromaticContact CE2-CD2 3.5Å; F918-H1138 AromaticContact CE2-CE1 3.75Å; F918-H1138 AromaticContact CE2-CG 3.84Å; F918-H1138 AromaticContact CE2-NE2 3.45Å; F918-H1138 WeakPolarHBondContact CE2-NE2 3.28Å; F918-H1138 AromaticContact CZ-CD2 3.99Å; S1136-H1138 PolarHBondContact O-N 3.15Å; S1136-H1138 WeakPolarHBondContact OG-CB 3.4Å; S1136-H1138 PolarHBondContact OG-N 3.46Å; S1136-H1138 PolarHBondContact OG-ND1 3.29Å; S1136-H1138 VanDerWaalsContact OG-ND1 3.14Å; H1138-L1140 VanDerWaalsContact C-N 3.33Å; H1138-A1141 WeakPolarHBondContact O-CB 3.35Å; H1138-A1141 PolarHBondContact O-N 3.03Å; H1138-F1142 WeakPolarHBondContact O-CB 3.3Å; H1138-F1142 PolarHBondContact O-N 3.44Å |
| 1139 | F | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.3 | -39.1 | 173.3 | -84 | -94.5 | 0 | 0 | 0 | 111.3 | R896 F914 P1135 S1136 F1142 L1143 Q1259 L1260 | R896-F1139 HydrophobicContact CG-CE2 4.39Å; F914-F1139 AromaticContact CE2-CD1 3.91Å; F914-F1139 HydrophobicContact CE2-CD1 3.91Å; F914-F1139 HydrophobicContact CE2-CD2 4.07Å; F914-F1139 AromaticContact CE2-CE1 3.94Å; F914-F1139 HydrophobicContact CE2-CE1 3.94Å; F914-F1139 HydrophobicContact CE2-CE2 4.07Å; F914-F1139 AromaticContact CE2-CG 3.99Å; F914-F1139 HydrophobicContact CE2-CG 3.99Å; F914-F1139 HydrophobicContact CE2-CZ 4.01Å; F914-F1139 HydrophobicContact CZ-CD1 4.42Å; F914-F1139 AromaticContact CZ-CD2 3.74Å; F914-F1139 HydrophobicContact CZ-CD2 3.74Å; F914-F1139 HydrophobicContact CZ-CE1 4.4Å; F914-F1139 AromaticContact CZ-CE2 3.69Å; F914-F1139 HydrophobicContact CZ-CE2 3.69Å; F914-F1139 HydrophobicContact CZ-CG 4.12Å; F914-F1139 HydrophobicContact CZ-CZ 4.04Å; P1135-F1139 HydrophobicContact CB-CD2 3.75Å; P1135-F1139 HydrophobicContact CB-CE2 4.03Å; P1135-F1139 HydrophobicContact CB-CG 4.12Å; P1135-F1139 HydrophobicContact CG-CB 4.39Å; P1135-F1139 HydrophobicContact CG-CD1 4.08Å; P1135-F1139 HydrophobicContact CG-CD2 4Å; P1135-F1139 HydrophobicContact CG-CE1 4.34Å; P1135-F1139 HydrophobicContact CG-CE2 4.28Å; P1135-F1139 HydrophobicContact CG-CG 3.89Å; P1135-F1139 HydrophobicContact CG-CZ 4.44Å; S1136-F1139 PolarHBondContact O-N 3.32Å; F1139-F1142 WeakPolarHBondContact O-CB 3.48Å; F1139-F1142 PolarHBondContact O-N 2.91Å; F1139-L1143 WeakPolarHBondContact O-CG 3.3Å; F1139-L1143 PolarHBondContact O-N 2.9Å; F1139-Q1259 HydrophobicContact CD1-CB 3.92Å; F1139-Q1259 HydrophobicContact CE1-CB 4.08Å; F1139-L1260 HydrophobicContact CE1-CD2 3.64Å; F1139-L1260 HydrophobicContact CE1-CG 3.96Å; F1139-L1260 HydrophobicContact CZ-CD2 3.71Å; F1139-L1260 HydrophobicContact CZ-CG 4.23Å |
| 1140 | L | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.1 | -45.9 | 174.6 | -174.5 | 56.6 | 0 | 0 | 0 | 111.4 | L931 V937 I1108 V1134 S1136 L1137 H1138 F1142 L1143 V1144 L1343 | L931-L1140 HydrophobicContact CD1-CD2 4.48Å; L931-L1140 HydrophobicContact CD2-CD2 3.78Å; L931-L1140 HydrophobicContact CD2-CG 4.07Å; V937-L1140 HydrophobicContact CG2-CD2 3.55Å; I1108-L1140 HydrophobicContact CD1-CD1 3.92Å; I1108-L1140 HydrophobicContact CD1-CD2 4.25Å; I1108-L1140 HydrophobicContact CG2-CD1 4.49Å; I1108-L1140 HydrophobicContact CG2-CD2 4.37Å; V1134-L1140 HydrophobicContact CG1-CD1 4.38Å; V1134-L1140 HydrophobicContact CG2-CB 4.01Å; S1136-L1140 PolarHBondContact O-N 3.43Å; S1136-L1140 VanDerWaalsContact O-N 3.14Å; L1137-L1140 HydrophobicContact CD1-CD2 4.17Å; L1137-L1140 WeakPolarHBondContact O-CB 3.36Å; L1137-L1140 PolarHBondContact O-N 2.95Å; H1138-L1140 VanDerWaalsContact C-N 3.33Å; L1140-F1142 VanDerWaalsContact C-N 3.3Å; L1140-F1142 PolarHBondContact O-N 3.04Å; L1140-L1143 PolarHBondContact O-N 3.14Å; L1140-V1144 HydrophobicContact CD1-CG2 3.99Å; L1140-V1144 HydrophobicContact CG-CG2 4.27Å; L1140-V1144 WeakPolarHBondContact O-CB 3.39Å; L1140-V1144 WeakPolarHBondContact O-CG2 3.26Å; L1140-V1144 PolarHBondContact O-N 3.07Å; L1140-L1343 HydrophobicContact CD1-CD2 3.64Å |
| 1141 | A | 94.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.017 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | P915 F918 C927 L1137 H1138 L1143 V1144 N1145 | P915-A1141 HydrophobicContact CG-CB 3.78Å; F918-A1141 HydrophobicContact CZ-CB 4.27Å; C927-A1141 WeakPolarHBondContact SG-CB 3.49Å; L1137-A1141 WeakPolarHBondContact O-CB 3.45Å; L1137-A1141 PolarHBondContact O-N 3.44Å; H1138-A1141 WeakPolarHBondContact O-CB 3.35Å; H1138-A1141 PolarHBondContact O-N 3.03Å; A1141-L1143 PolarHBondContact O-N 2.92Å; A1141-V1144 PolarHBondContact O-N 3.06Å; A1141-N1145 VanDerWaalsContact O-CB 3.26Å; A1141-N1145 WeakPolarHBondContact O-CB 3.31Å; A1141-N1145 PolarHBondContact O-N 3.34Å; A1141-N1145 PolarHBondContact O-ND2 3.21Å; A1141-N1145 PolarHBondContact O-OD1 3.17Å |
| 1142 | F | 93.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 177.2 | -176.3 | -130.2 | 0 | 0 | 0 | 112.3 | E913 F914 H1138 F1139 L1140 K1146 L1260 Q1262 | E913-F1142 HydrophobicContact CB-CD2 4.35Å; E913-F1142 HydrophobicContact CB-CE2 3.71Å; E913-F1142 WeakPolarHBondContact O-CD2 3.45Å; F914-F1142 HydrophobicContact CB-CD2 3.88Å; F914-F1142 HydrophobicContact CB-CE2 3.87Å; F914-F1142 HydrophobicContact CB-CG 4.34Å; F914-F1142 HydrophobicContact CB-CZ 4.31Å; F914-F1142 HydrophobicContact CD2-CB 3.85Å; F914-F1142 AromaticContact CD2-CD1 3.48Å; F914-F1142 HydrophobicContact CD2-CD1 3.48Å; F914-F1142 VanDerWaalsContact CD2-CD1 3.48Å; F914-F1142 AromaticContact CD2-CD2 3.94Å; F914-F1142 HydrophobicContact CD2-CD2 3.94Å; F914-F1142 AromaticContact CD2-CE1 3.83Å; F914-F1142 HydrophobicContact CD2-CE1 3.83Å; F914-F1142 HydrophobicContact CD2-CE2 4.27Å; F914-F1142 AromaticContact CD2-CG 3.5Å; F914-F1142 HydrophobicContact CD2-CG 3.5Å; F914-F1142 VanDerWaalsContact CD2-CG 3.5Å; F914-F1142 HydrophobicContact CD2-CZ 4.2Å; F914-F1142 HydrophobicContact CE2-CB 4.14Å; F914-F1142 AromaticContact CE2-CD1 3.98Å; F914-F1142 HydrophobicContact CE2-CD1 3.98Å; F914-F1142 HydrophobicContact CE2-CG 4.15Å; F914-F1142 HydrophobicContact CG-CD2 4.29Å; F914-F1142 HydrophobicContact CG-CG 4.25Å; H1138-F1142 WeakPolarHBondContact O-CB 3.3Å; H1138-F1142 PolarHBondContact O-N 3.44Å; F1139-F1142 WeakPolarHBondContact O-CB 3.48Å; F1139-F1142 PolarHBondContact O-N 2.91Å; L1140-F1142 VanDerWaalsContact C-N 3.3Å; L1140-F1142 PolarHBondContact O-N 3.04Å; F1142-K1146 PolarHBondContact O-N 2.82Å; F1142-L1260 WeakPolarHBondContact CE1-O 3.38Å; F1142-Q1262 HydrophobicContact CD1-CG 3.93Å; F1142-Q1262 HydrophobicContact CE1-CB 4.37Å; F1142-Q1262 HydrophobicContact CE1-CG 3.2Å; F1142-Q1262 HydrophobicContact CE2-CG 3.87Å; F1142-Q1262 HydrophobicContact CZ-CG 3.18Å; F1142-Q1262 VanDerWaalsContact CZ-NE2 3.31Å |
| 1143 | L | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.1 | -45.4 | 177.8 | -67.9 | 175.5 | 0 | 0 | 0 | 112.3 | V1134 F1139 L1140 A1141 N1145 K1146 W1147 C1263 L1343 | V1134-L1143 HydrophobicContact CG1-CD1 4.45Å; F1139-L1143 WeakPolarHBondContact O-CG 3.3Å; F1139-L1143 PolarHBondContact O-N 2.9Å; L1140-L1143 PolarHBondContact O-N 3.14Å; A1141-L1143 PolarHBondContact O-N 2.92Å; L1143-N1145 PolarHBondContact O-N 3.23Å; L1143-K1146 PolarHBondContact O-N 2.92Å; L1143-W1147 WeakPolarHBondContact O-CB 3.33Å; L1143-W1147 PolarHBondContact O-N 3.29Å; L1143-C1263 WeakPolarHBondContact CD2-O 3.08Å; L1143-L1343 HydrophobicContact CB-CD1 4.03Å; L1143-L1343 HydrophobicContact CB-CD2 3.88Å; L1143-L1343 HydrophobicContact CB-CG 3.92Å; L1143-L1343 HydrophobicContact CD1-CD2 4.48Å; L1143-L1343 HydrophobicContact CD1-CG 4.32Å |
| 1144 | V | 93 | Very high | 91.5 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 9% | 0.085 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.9 | -39.7 | -179.4 | 170 | 0 | 0 | 0 | 0 | 111.6 | R930 L931 W935 L1140 A1141 K1146 W1147 N1148 L1343 | R930-V1144 HydrophobicContact CB-CG1 4.25Å; L931-V1144 HydrophobicContact CD2-CG2 4.06Å; W935-V1144 HydrophobicContact CZ3-CG2 4.21Å; L1140-V1144 HydrophobicContact CD1-CG2 3.99Å; L1140-V1144 HydrophobicContact CG-CG2 4.27Å; L1140-V1144 WeakPolarHBondContact O-CB 3.39Å; L1140-V1144 WeakPolarHBondContact O-CG2 3.26Å; L1140-V1144 PolarHBondContact O-N 3.07Å; A1141-V1144 PolarHBondContact O-N 3.06Å; V1144-K1146 PolarHBondContact O-N 3.5Å; V1144-W1147 CarbonylContact O-C 3.58Å; V1144-W1147 VanDerWaalsContact O-C 3.28Å; V1144-W1147 PolarHBondContact O-N 2.9Å; V1144-N1148 PolarHBondContact O-N 3.33Å; V1144-N1148 PolarHBondContact O-OD1 3.38Å; V1144-L1343 HydrophobicContact CG2-CD2 3.93Å |
| 1145 | N | 90.1 | Very high | 91.1 | Very high | 70 Ų | 70 | 38.1 Ų | 38.1 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.7 | -29.1 | 176.5 | -71.5 | -7.6 | 0 | 0 | 0 | 112.4 | R930 A1141 L1143 N1148 | R930-N1145 PolarHBondContact NE-OD1 3Å; R930-N1145 VanDerWaalsContact NE-OD1 3.09Å; R930-N1145 PolarHBondContact NH2-OD1 2.81Å; A1141-N1145 VanDerWaalsContact O-CB 3.26Å; A1141-N1145 WeakPolarHBondContact O-CB 3.31Å; A1141-N1145 PolarHBondContact O-N 3.34Å; A1141-N1145 PolarHBondContact O-ND2 3.21Å; A1141-N1145 PolarHBondContact O-OD1 3.17Å; L1143-N1145 PolarHBondContact O-N 3.23Å; N1145-N1148 PolarHBondContact O-OD1 2.83Å |
| 1146 | K | 88.7 | Confident | 91 | Very high | 87 Ų | 87 | 40.7 Ų | 40.7 | 38% | 0.378 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -81.4 | -46.6 | 175.7 | 175.3 | 62.7 | 178.3 | -172.9 | 0 | 111.6 | F1142 L1143 V1144 Q1262 | F1142-K1146 PolarHBondContact O-N 2.82Å; L1143-K1146 PolarHBondContact O-N 2.92Å; V1144-K1146 PolarHBondContact O-N 3.5Å; K1146-Q1262 HydrophobicContact CG-CB 4.36Å |
| 1147 | W | 87 | Confident | 91 | Very high | 59 Ų | 59 | 43.1 Ų | 43.1 | 22% | 0.223 | 22% | 0.217 | C | C | . | . | trans | -104.2 | 72.5 | -175.2 | -61.1 | 94.9 | 0 | 0 | 0 | 109.5 | L1143 V1144 K1149 P1151 H1229 Q1262 P1264 L1343 | L1143-W1147 WeakPolarHBondContact O-CB 3.33Å; L1143-W1147 PolarHBondContact O-N 3.29Å; V1144-W1147 CarbonylContact O-C 3.58Å; V1144-W1147 VanDerWaalsContact O-C 3.28Å; V1144-W1147 PolarHBondContact O-N 2.9Å; W1147-K1149 PolarHBondContact O-N 3.5Å; W1147-P1151 HydrophobicContact CB-CG 4.12Å; W1147-P1151 HydrophobicContact CD2-CB 4.42Å; W1147-P1151 HydrophobicContact CD2-CG 3.94Å; W1147-P1151 HydrophobicContact CE3-CB 3.87Å; W1147-P1151 HydrophobicContact CE3-CG 3.79Å; W1147-P1151 HydrophobicContact CG-CG 4.09Å; W1147-P1151 HydrophobicContact CZ3-CB 4.13Å; W1147-H1229 HydrophobicContact CH2-CB 4.37Å; W1147-H1229 WeakPolarHBondContact CH2-O 3.46Å; W1147-Q1262 PolarHBondContact NE1-O 2.87Å; W1147-Q1262 VanDerWaalsContact NE1-O 3.14Å; W1147-P1264 HydrophobicContact CD2-CB 4.09Å; W1147-P1264 HydrophobicContact CH2-CB 4.38Å; W1147-P1264 HydrophobicContact CH2-CG 3.98Å; W1147-P1264 HydrophobicContact CZ2-CB 3.84Å; W1147-P1264 HydrophobicContact CZ2-CG 3.56Å; W1147-L1343 HydrophobicContact CB-CD1 3.58Å; W1147-L1343 HydrophobicContact CG-CD1 3.95Å | ||
| 1148 | N | 75.2 | Confident | 91 | Very high | 131 Ų | 131 | 43.1 Ų | 43.1 | 70% | 0.701 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -60.3 | -8 | 179.7 | -71 | -22.1 | 0 | 0 | 0 | 114.5 | V1144 N1145 | V1144-N1148 PolarHBondContact O-N 3.33Å; V1144-N1148 PolarHBondContact O-OD1 3.38Å; N1145-N1148 PolarHBondContact O-OD1 2.83Å |
| 1149 | K | 83.6 | Confident | 91.2 | Very high | 171 Ų | 171 | 43.6 Ų | 43.6 | 74% | 0.743 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -132.8 | 154.8 | 174 | -65.2 | -177.5 | 179.7 | -179.7 | 0 | 108.1 | W1147 P1151 | W1147-K1149 PolarHBondContact O-N 3.5Å; K1149-P1151 WeakPolarHBondContact O-CD 3.48Å; K1149-P1151 VanDerWaalsContact O-N 3.14Å |
| 1150 | I | 87 | Confident | 91.3 | Very high | 64 Ų | 64 | 44 Ų | 44 | 33% | 0.328 | 22% | 0.221 | S | C | . | . | trans | -51.8 | 119.8 | 173.1 | -56.7 | 176.7 | 0 | 0 | 0 | 109 | E932 W935 A1152 V1346 | E932-I1150 HydrophobicContact CG-CG1 4.25Å; W935-I1150 HydrophobicContact CZ2-CG1 4.23Å; I1150-A1152 PolarHBondContact O-N 3.14Å; I1150-V1346 HydrophobicContact CG2-CG1 4.24Å; I1150-V1346 HydrophobicContact CG2-CG2 4.1Å | ||
| 1151 | P | 91.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | trans | -59.4 | 134.3 | 178.7 | -21.4 | 30.9 | 0 | 0 | 0 | 110.8 | W1147 K1149 I1231 P1264 L1343 V1345 V1346 | W1147-P1151 HydrophobicContact CB-CG 4.12Å; W1147-P1151 HydrophobicContact CD2-CB 4.42Å; W1147-P1151 HydrophobicContact CD2-CG 3.94Å; W1147-P1151 HydrophobicContact CE3-CB 3.87Å; W1147-P1151 HydrophobicContact CE3-CG 3.79Å; W1147-P1151 HydrophobicContact CG-CG 4.09Å; W1147-P1151 HydrophobicContact CZ3-CB 4.13Å; K1149-P1151 WeakPolarHBondContact O-CD 3.48Å; K1149-P1151 VanDerWaalsContact O-N 3.14Å; P1151-I1231 HydrophobicContact CB-CD1 4.45Å; P1151-P1264 HydrophobicContact CB-CB 3.96Å; P1151-P1264 HydrophobicContact CG-CB 3.77Å; P1151-L1343 HydrophobicContact CG-CB 4.4Å; P1151-L1343 HydrophobicContact CG-CD1 4.02Å; P1151-V1345 HydrophobicContact CB-CG2 4.21Å; P1151-V1345 WeakPolarHBondContact O-CG1 3.48Å; P1151-V1346 PolarHBondContact O-N 3.15Å; P1151-V1346 VanDerWaalsContact O-N 3.08Å | ||
| 1152 | A | 92.2 | Very high | 91.5 | Very high | 49 Ų | 49 | 44 Ų | 44 | 41% | 0.405 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1150 V1346 | I1150-A1152 PolarHBondContact O-N 3.14Å; A1152-V1346 CarbonylContact C-O 3.49Å; A1152-V1346 VanDerWaalsContact CA-O 3.23Å; A1152-V1346 WeakPolarHBondContact CA-O 3.2Å; A1152-V1346 HydrophobicContact CB-CG2 4.22Å |
| 1153 | V | 92.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.5 | 175 | 173.6 | 0 | 0 | 0 | 0 | 110.3 | D1204 L1205 I1231 W1289 L1290 V1345 V1346 S1348 | V1153-D1204 HydrophobicContact CB-CB 4.44Å; V1153-D1204 HydrophobicContact CG1-CB 4.18Å; V1153-D1204 HydrophobicContact CG2-CB 4.39Å; V1153-L1205 HydrophobicContact CG1-CB 3.99Å; V1153-I1231 HydrophobicContact CG2-CB 4.32Å; V1153-I1231 HydrophobicContact CG2-CD1 3.63Å; V1153-I1231 HydrophobicContact CG2-CG1 4.08Å; V1153-W1289 HydrophobicContact CB-CH2 4.16Å; V1153-W1289 HydrophobicContact CB-CZ2 4.1Å; V1153-W1289 HydrophobicContact CG1-CH2 4.37Å; V1153-W1289 HydrophobicContact CG2-CH2 3.75Å; V1153-W1289 HydrophobicContact CG2-CZ2 3.89Å; V1153-L1290 HydrophobicContact CG1-CD2 4.23Å; V1153-V1345 HydrophobicContact CG2-CG1 4.08Å; V1153-V1346 PolarHBondContact N-O 3.18Å; V1153-S1348 PolarHBondContact O-N 2.86Å |
| 1154 | V | 92.4 | Very high | 91.7 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 34% | 0.339 | 22% | 0.223 | S | C | . | . | trans | -77.9 | 119.3 | 162.9 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | E1156 N1157 D1204 | V1154-E1156 PolarHBondContact O-N 3.38Å; V1154-E1156 VanDerWaalsContact O-N 3.15Å; V1154-N1157 HydrophobicContact CB-CB 4.08Å; V1154-N1157 HydrophobicContact CG1-CB 4.46Å; V1154-N1157 PolarHBondContact O-N 3.31Å; V1154-D1204 VanDerWaalsContact CB-OD2 3.3Å; V1154-D1204 WeakPolarHBondContact CB-OD2 3.37Å; V1154-D1204 WeakPolarHBondContact CG2-OD2 3.33Å; V1154-D1204 PolarHBondContact N-OD2 3.36Å | ||
| 1155 | K | 88.4 | Confident | 91.6 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -38.1 | -170.8 | 170.5 | -172.5 | 168.5 | -156.7 | 0 | 113 | L1182 W1184 L1290 | K1155-L1182 HydrophobicContact CD-CD2 4.44Å; K1155-L1182 HydrophobicContact CG-CD2 4.49Å; K1155-W1184 PolarHBondContact O-NE1 3.41Å; K1155-L1290 WeakPolarHBondContact CD-O 3.29Å; K1155-L1290 HydrophobicContact CG-CB 4.25Å |
| 1156 | E | 90.3 | Very high | 91.7 | Very high | 80 Ų | 80 | 51 Ų | 51 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -19 | -177.5 | -64 | 65.2 | -140.3 | 0 | 0 | 112.2 | V1154 A1158 | V1154-E1156 PolarHBondContact O-N 3.38Å; V1154-E1156 VanDerWaalsContact O-N 3.15Å; E1156-A1158 VanDerWaalsContact C-N 3.32Å; E1156-A1158 PolarHBondContact O-N 3.09Å; E1156-A1158 VanDerWaalsContact O-N 3.11Å |
| 1157 | N | 94.9 | Very high | 91.9 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -89.8 | 61.8 | -176.5 | -168.7 | 30.3 | 0 | 0 | 0 | 112.2 | V1154 K1203 D1204 L1205 | V1154-N1157 HydrophobicContact CB-CB 4.08Å; V1154-N1157 HydrophobicContact CG1-CB 4.46Å; V1154-N1157 PolarHBondContact O-N 3.31Å; N1157-K1203 WeakPolarHBondContact OD1-CD 3.42Å; N1157-D1204 HydrophobicContact CB-CB 4.38Å; N1157-D1204 PolarHBondContact ND2-N 3.09Å; N1157-D1204 PolarHBondContact ND2-OD1 3.13Å; N1157-D1204 PolarHBondContact ND2-OD2 3.33Å; N1157-D1204 PolarHBondContact O-N 2.92Å; N1157-L1205 PolarHBondContact O-N 3.43Å |
| 1158 | A | 97 | Very high | 92.1 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 157 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1156 W1184 Q1185 L1205 | E1156-A1158 VanDerWaalsContact C-N 3.32Å; E1156-A1158 PolarHBondContact O-N 3.09Å; E1156-A1158 VanDerWaalsContact O-N 3.11Å; A1158-W1184 HydrophobicContact CB-CB 4.48Å; A1158-W1184 HydrophobicContact CB-CD2 3.6Å; A1158-W1184 VanDerWaalsContact CB-CE2 3.49Å; A1158-W1184 HydrophobicContact CB-CE3 4.22Å; A1158-W1184 HydrophobicContact CB-CG 3.73Å; A1158-W1184 HydrophobicContact CB-CZ2 4.03Å; A1158-Q1185 PolarHBondContact O-N 3.18Å; A1158-L1205 CarbonylContact C-O 3.53Å; A1158-L1205 VanDerWaalsContact CA-O 3.23Å; A1158-L1205 WeakPolarHBondContact CA-O 3Å; A1158-L1205 HydrophobicContact CB-CB 3.78Å; A1158-L1205 HydrophobicContact CB-CD2 4.12Å; A1158-L1205 HydrophobicContact CB-CG 4.22Å |
| 1159 | F | 97.9 | Very high | 93 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 4% | 0.044 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 137 | 171.7 | -167.7 | -80.2 | 0 | 0 | 0 | 111.4 | V1161 Q1185 E1196 A1200 K1203 L1205 F1206 V1207 | F1159-V1161 HydrophobicContact CD1-CG2 4.41Å; F1159-V1161 HydrophobicContact CE1-CG2 3.95Å; F1159-Q1185 CarbonylContact C-O 3.53Å; F1159-Q1185 WeakPolarHBondContact CA-O 3.28Å; F1159-Q1185 HydrophobicContact CD2-CB 3.77Å; F1159-Q1185 HydrophobicContact CE2-CB 4.24Å; F1159-E1196 HydrophobicContact CZ-CB 4.12Å; F1159-A1200 HydrophobicContact CB-CB 3.66Å; F1159-A1200 HydrophobicContact CD1-CB 3.38Å; F1159-A1200 HydrophobicContact CD2-CB 3.94Å; F1159-A1200 HydrophobicContact CE1-CB 3.93Å; F1159-A1200 HydrophobicContact CE2-CB 4.42Å; F1159-A1200 HydrophobicContact CG-CB 3.38Å; F1159-A1200 HydrophobicContact CZ-CB 4.41Å; F1159-K1203 HydrophobicContact CB-CG 4.13Å; F1159-L1205 PolarHBondContact N-O 3.26Å; F1159-F1206 HydrophobicContact CB-CD2 4.5Å; F1159-F1206 HydrophobicContact CD1-CD2 4.12Å; F1159-F1206 HydrophobicContact CD1-CE2 4.07Å; F1159-F1206 CarbonylContact O-C 3.52Å; F1159-F1206 VanDerWaalsContact O-CA 3.3Å; F1159-F1206 WeakPolarHBondContact O-CA 3.46Å; F1159-V1207 PolarHBondContact O-N 3.32Å |
| 1160 | Y | 97.7 | Very high | 93.5 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 4% | 0.039 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 149.6 | 176.8 | 69.7 | -91.3 | 0 | 0 | 0 | 114.2 | L1162 F1179 W1184 Q1185 G1186 C1187 V1188 V1207 | Y1160-L1162 HydrophobicContact CD2-CB 3.83Å; Y1160-L1162 HydrophobicContact CE2-CB 4.11Å; Y1160-F1179 HydrophobicContact CD1-CB 3.69Å; Y1160-F1179 AromaticContact CD1-CD2 3.89Å; Y1160-F1179 HydrophobicContact CD1-CD2 3.89Å; Y1160-F1179 HydrophobicContact CD1-CG 4.02Å; Y1160-F1179 AromaticContact CD2-CD2 3.54Å; Y1160-F1179 HydrophobicContact CD2-CD2 3.54Å; Y1160-F1179 HydrophobicContact CD2-CE2 4.12Å; Y1160-F1179 HydrophobicContact CD2-CG 4.45Å; Y1160-F1179 HydrophobicContact CE1-CB 3.57Å; Y1160-F1179 HydrophobicContact CE1-CD2 4.28Å; Y1160-F1179 HydrophobicContact CE1-CG 4.33Å; Y1160-F1179 HydrophobicContact CE2-CB 4.49Å; Y1160-F1179 AromaticContact CE2-CD2 3.96Å; Y1160-F1179 HydrophobicContact CE2-CD2 3.96Å; Y1160-F1179 HydrophobicContact CG-CB 4.22Å; Y1160-F1179 AromaticContact CG-CD2 3.49Å; Y1160-F1179 HydrophobicContact CG-CD2 3.49Å; Y1160-F1179 VanDerWaalsContact CG-CD2 3.49Å; Y1160-F1179 HydrophobicContact CG-CE2 4.1Å; Y1160-F1179 HydrophobicContact CG-CG 4.08Å; Y1160-W1184 HydrophobicContact CD1-CB 3.68Å; Y1160-W1184 HydrophobicContact CD1-CE3 4.24Å; Y1160-W1184 HydrophobicContact CE1-CB 3.93Å; Y1160-W1184 WeakPolarHBondContact CE1-O 3.2Å; Y1160-Q1185 WeakPolarHBondContact CD1-O 3.46Å; Y1160-Q1185 WeakPolarHBondContact CE1-O 3.35Å; Y1160-Q1185 PolarHBondContact N-O 3.48Å; Y1160-G1186 CarbonylContact O-C 3.6Å; Y1160-G1186 WeakPolarHBondContact O-CA 3.41Å; Y1160-C1187 PolarHBondContact O-N 3.34Å; Y1160-V1188 HydrophobicContact CE2-CG2 3.68Å; Y1160-V1207 CarbonylContact C-O 3.58Å; Y1160-V1207 VanDerWaalsContact CA-O 3.23Å; Y1160-V1207 WeakPolarHBondContact CA-O 3.45Å |
| 1161 | V | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 113 | 168.2 | 176.7 | 0 | 0 | 0 | 0 | 107.3 | F1159 P1164 P1192 F1206 V1207 Y1208 C1209 | F1159-V1161 HydrophobicContact CD1-CG2 4.41Å; F1159-V1161 HydrophobicContact CE1-CG2 3.95Å; V1161-P1164 HydrophobicContact CG1-CB 4.21Å; V1161-P1164 HydrophobicContact CG1-CG 4.14Å; V1161-P1192 HydrophobicContact CG2-CB 4.4Å; V1161-P1192 HydrophobicContact CG2-CG 3.78Å; V1161-F1206 HydrophobicContact CG2-CE2 3.82Å; V1161-F1206 HydrophobicContact CG2-CZ 4.01Å; V1161-V1207 PolarHBondContact N-O 2.9Å; V1161-Y1208 HydrophobicContact CB-CD2 4.09Å; V1161-Y1208 HydrophobicContact CG1-CD2 4.01Å; V1161-Y1208 HydrophobicContact CG1-CE2 4.24Å; V1161-C1209 PolarHBondContact O-N 2.94Å |
| 1162 | L | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.3 | -172.2 | 179.3 | 60.1 | 0 | 0 | 0 | 110.8 | Y1160 T1171 Q1172 F1175 E1176 F1179 C1187 V1188 G1189 C1209 | Y1160-L1162 HydrophobicContact CD2-CB 3.83Å; Y1160-L1162 HydrophobicContact CE2-CB 4.11Å; L1162-T1171 HydrophobicContact CD1-CG2 4.07Å; L1162-Q1172 HydrophobicContact CD2-CG 4.17Å; L1162-Q1172 HydrophobicContact CG-CB 4.4Å; L1162-Q1172 HydrophobicContact CG-CG 4.35Å; L1162-F1175 HydrophobicContact CD1-CB 4.18Å; L1162-F1175 HydrophobicContact CD2-CB 4.05Å; L1162-E1176 HydrophobicContact CD2-CB 3.92Å; L1162-F1179 HydrophobicContact CD2-CD2 4.27Å; L1162-F1179 HydrophobicContact CD2-CE2 4.34Å; L1162-C1187 PolarHBondContact N-O 3.07Å; L1162-V1188 HydrophobicContact CB-CG2 4.46Å; L1162-V1188 HydrophobicContact CD2-CG2 4.41Å; L1162-V1188 WeakPolarHBondContact O-CA 3.24Å; L1162-G1189 PolarHBondContact O-N 2.89Å; L1162-C1209 HydrophobicContact CD1-CB 3.58Å |
| 1163 | N | 96.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.011 | 25% | 0.245 | C | C | . | . | trans | 52.9 | 52.6 | 174.8 | -171.9 | 23.2 | 0 | 0 | 0 | 113.8 | T1165 R1166 D1167 L1168 Q1172 G1189 C1209 | N1163-T1165 PolarHBondContact O-N 2.88Å; N1163-T1165 VanDerWaalsContact O-N 3.13Å; N1163-R1166 PolarHBondContact O-N 3.47Å; N1163-R1166 VanDerWaalsContact O-N 3.09Å; N1163-R1166 VanDerWaalsContact OD1-CA 3.29Å; N1163-R1166 WeakPolarHBondContact OD1-CA 3.44Å; N1163-R1166 PolarHBondContact OD1-N 3.17Å; N1163-R1166 VanDerWaalsContact OD1-N 3.12Å; N1163-D1167 PolarHBondContact OD1-N 2.88Å; N1163-D1167 VanDerWaalsContact OD1-N 3.09Å; N1163-L1168 HydrophobicContact CB-CB 4.31Å; N1163-L1168 WeakPolarHBondContact OD1-CB 3.35Å; N1163-L1168 PolarHBondContact OD1-N 3.48Å; N1163-Q1172 HydrophobicContact CB-CB 4.13Å; N1163-Q1172 PolarHBondContact ND2-OE1 3.33Å; N1163-G1189 WeakPolarHBondContact O-CA 3.35Å; N1163-G1189 PolarHBondContact O-N 3.36Å; N1163-C1209 PolarHBondContact N-O 3.31Å | ||
| 1164 | P | 94.7 | Very high | 94.4 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 7% | 0.065 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.6 | -175.8 | 26.3 | -35.4 | 0 | 0 | 0 | 113.5 | V1161 Y1208 | V1161-P1164 HydrophobicContact CG1-CB 4.21Å; V1161-P1164 HydrophobicContact CG1-CG 4.14Å; P1164-Y1208 HydrophobicContact CG-CE2 4.05Å |
| 1165 | T | 91.4 | Very high | 94.7 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 39% | 0.387 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -6.9 | 179.3 | 41.5 | 0 | 0 | 0 | 0 | 114.6 | N1163 D1167 | N1163-T1165 PolarHBondContact O-N 2.88Å; N1163-T1165 VanDerWaalsContact O-N 3.13Å; T1165-D1167 VanDerWaalsContact C-N 3.26Å; T1165-D1167 VanDerWaalsContact CB-OD1 3.23Å; T1165-D1167 WeakPolarHBondContact CB-OD1 3.39Å; T1165-D1167 PolarHBondContact O-N 3.25Å; T1165-D1167 PolarHBondContact OG1-OD1 3.41Å |
| 1166 | R | 93.6 | Very high | 95.1 | Very high | 163 Ų | 163 | 49.4 Ų | 49.4 | 62% | 0.615 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 64.3 | 17.2 | 178.6 | -53.5 | 179.9 | -176.6 | -170.8 | -5.1 | 116.1 | N1163 G1189 | N1163-R1166 PolarHBondContact O-N 3.47Å; N1163-R1166 VanDerWaalsContact O-N 3.09Å; N1163-R1166 VanDerWaalsContact OD1-CA 3.29Å; N1163-R1166 WeakPolarHBondContact OD1-CA 3.44Å; N1163-R1166 PolarHBondContact OD1-N 3.17Å; N1163-R1166 VanDerWaalsContact OD1-N 3.12Å; R1166-G1189 WeakPolarHBondContact CG-O 3.1Å; R1166-G1189 VanDerWaalsContact CZ-O 3.32Å; R1166-G1189 PolarHBondContact NE-O 2.83Å; R1166-G1189 PolarHBondContact NH2-O 2.91Å; R1166-G1189 VanDerWaalsContact NH2-O 3.09Å |
| 1167 | D | 91.9 | Very high | 95.3 | Very high | 97 Ų | 97 | 48.3 Ų | 48.3 | 52% | 0.519 | 25% | 0.245 | S | C | . | . | trans | -107.1 | -8.5 | -179.7 | 53.1 | -5.7 | 0 | 0 | 0 | 114.1 | N1163 T1165 A1169 H1211 | N1163-D1167 PolarHBondContact OD1-N 2.88Å; N1163-D1167 VanDerWaalsContact OD1-N 3.09Å; T1165-D1167 VanDerWaalsContact C-N 3.26Å; T1165-D1167 VanDerWaalsContact CB-OD1 3.23Å; T1165-D1167 WeakPolarHBondContact CB-OD1 3.39Å; T1165-D1167 PolarHBondContact O-N 3.25Å; T1165-D1167 PolarHBondContact OG1-OD1 3.41Å; D1167-A1169 PolarHBondContact O-N 3.08Å; D1167-H1211 IonicContact OD1-CD2 3.87Å; D1167-H1211 PolarHBondContact OD1-CD2 3.16Å; D1167-H1211 VanDerWaalsContact OD1-CD2 3.31Å; D1167-H1211 IonicContact OD1-NE2 3.82Å; D1167-H1211 PolarHBondContact OD1-NE2 3.23Å; D1167-H1211 IonicContact OD2-CD2 3.42Å; D1167-H1211 PolarHBondContact OD2-CD2 3.03Å; D1167-H1211 IonicContact OD2-NE2 2.91Å; D1167-H1211 PolarHBondContact OD2-NE2 3.32Å | ||
| 1168 | L | 92.2 | Very high | 95.3 | Very high | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.089 | 24% | 0.237 | C | C | . | . | trans | -100.6 | 55.1 | 176.1 | -62.8 | 172.9 | 0 | 0 | 0 | 112.5 | N1163 Q1170 T1171 Q1172 D1275 | N1163-L1168 HydrophobicContact CB-CB 4.31Å; N1163-L1168 WeakPolarHBondContact OD1-CB 3.35Å; N1163-L1168 PolarHBondContact OD1-N 3.48Å; L1168-Q1170 VanDerWaalsContact C-N 3.27Å; L1168-Q1170 PolarHBondContact O-N 2.85Å; L1168-T1171 PolarHBondContact O-N 3.43Å; L1168-Q1172 PolarHBondContact O-N 2.96Å; L1168-D1275 HydrophobicContact CD2-CB 4.16Å | ||
| 1169 | A | 93.9 | Very high | 95.3 | Very high | 66 Ų | 66 | 47 Ų | 47 | 55% | 0.545 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.4 | -34.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1167 K1173 | D1167-A1169 PolarHBondContact O-N 3.08Å; A1169-K1173 WeakPolarHBondContact O-CB 3.43Å; A1169-K1173 PolarHBondContact O-N 3.29Å |
| 1170 | Q | 93.6 | Very high | 95.2 | Very high | 132 Ų | 132 | 51.6 Ų | 51.6 | 62% | 0.617 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -73.5 | -41.8 | 179.2 | -63.4 | -62.3 | -8.7 | 0 | 0 | 112.4 | L1168 Q1172 K1173 R1174 | L1168-Q1170 VanDerWaalsContact C-N 3.27Å; L1168-Q1170 PolarHBondContact O-N 2.85Å; Q1170-Q1172 VanDerWaalsContact C-N 3.31Å; Q1170-Q1172 PolarHBondContact O-N 3.48Å; Q1170-K1173 PolarHBondContact O-N 3.43Å; Q1170-R1174 PolarHBondContact O-N 3.13Å |
| 1171 | T | 95.1 | Very high | 95 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 172.4 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | L1162 L1168 K1173 R1174 F1175 C1209 D1279 | L1162-T1171 HydrophobicContact CD1-CG2 4.07Å; L1168-T1171 PolarHBondContact O-N 3.43Å; T1171-K1173 PolarHBondContact O-N 3.16Å; T1171-R1174 PolarHBondContact O-N 3.43Å; T1171-F1175 HydrophobicContact CG2-CD2 3.87Å; T1171-F1175 HydrophobicContact CG2-CE2 4.2Å; T1171-F1175 WeakPolarHBondContact O-CD2 3.3Å; T1171-F1175 PolarHBondContact O-N 3.09Å; T1171-C1209 HydrophobicContact CG2-CB 4.25Å; T1171-D1279 VanDerWaalsContact CA-OD2 3.26Å; T1171-D1279 WeakPolarHBondContact CA-OD2 3.22Å; T1171-D1279 WeakPolarHBondContact CB-OD2 3.44Å; T1171-D1279 VanDerWaalsContact CG2-OD1 3.29Å; T1171-D1279 WeakPolarHBondContact CG2-OD1 3.49Å; T1171-D1279 PolarHBondContact OG1-OD1 3.27Å; T1171-D1279 PolarHBondContact OG1-OD2 2.92Å |
| 1172 | Q | 97.2 | Very high | 94.7 | Very high | 49 Ų | 49 | 57.3 Ų | 57.3 | 23% | 0.229 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59 | -49.2 | 174.6 | -176.7 | -179.5 | -30.3 | 0 | 0 | 111.6 | L1162 N1163 L1168 Q1170 R1174 F1175 E1176 V1188 | L1162-Q1172 HydrophobicContact CD2-CG 4.17Å; L1162-Q1172 HydrophobicContact CG-CB 4.4Å; L1162-Q1172 HydrophobicContact CG-CG 4.35Å; N1163-Q1172 HydrophobicContact CB-CB 4.13Å; N1163-Q1172 PolarHBondContact ND2-OE1 3.33Å; L1168-Q1172 PolarHBondContact O-N 2.96Å; Q1170-Q1172 VanDerWaalsContact C-N 3.31Å; Q1170-Q1172 PolarHBondContact O-N 3.48Å; Q1172-R1174 VanDerWaalsContact C-N 3.25Å; Q1172-R1174 PolarHBondContact O-N 2.86Å; Q1172-F1175 PolarHBondContact O-N 3.23Å; Q1172-E1176 HydrophobicContact CG-CB 4.28Å; Q1172-E1176 WeakPolarHBondContact CG-OE2 3.42Å; Q1172-E1176 PolarHBondContact NE2-OE2 2.89Å; Q1172-E1176 WeakPolarHBondContact O-CB 3.42Å; Q1172-E1176 PolarHBondContact O-N 3.34Å; Q1172-V1188 HydrophobicContact CG-CG1 3.74Å |
| 1173 | K | 95.3 | Very high | 94.5 | Very high | 162 Ų | 162 | 64.6 Ų | 64.6 | 70% | 0.704 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56.7 | -38.8 | 178.2 | -176.2 | -179.8 | 178 | -178.4 | 0 | 112.4 | A1169 Q1170 T1171 | A1169-K1173 WeakPolarHBondContact O-CB 3.43Å; A1169-K1173 PolarHBondContact O-N 3.29Å; Q1170-K1173 PolarHBondContact O-N 3.43Å; T1171-K1173 PolarHBondContact O-N 3.16Å |
| 1174 | R | 94.4 | Very high | 94.5 | Very high | 68 Ų | 68 | 65.1 Ų | 65.1 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.7 | -43.6 | 179.8 | -166.2 | 178.2 | -172.6 | 121.1 | 3.2 | 112.1 | Q1170 T1171 Q1172 D1298 | Q1170-R1174 PolarHBondContact O-N 3.13Å; T1171-R1174 PolarHBondContact O-N 3.43Å; Q1172-R1174 VanDerWaalsContact C-N 3.25Å; Q1172-R1174 PolarHBondContact O-N 2.86Å; R1174-D1298 IonicContact CZ-OD2 3.81Å; R1174-D1298 IonicContact NH1-OD2 2.74Å; R1174-D1298 PolarHBondContact NH1-OD2 3.01Å; R1174-D1298 IonicContact NH2-OD1 3.26Å; R1174-D1298 IonicContact NH2-OD2 3.7Å; R1174-D1298 PolarHBondContact NH2-OD2 3.22Å |
| 1175 | F | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -101.5 | -23.5 | -168 | -71.9 | -63.6 | 0 | 0 | 0 | 115.9 | L1162 T1171 Q1172 A1177 F1178 F1179 D1279 L1282 H1283 | L1162-F1175 HydrophobicContact CD1-CB 4.18Å; L1162-F1175 HydrophobicContact CD2-CB 4.05Å; T1171-F1175 HydrophobicContact CG2-CD2 3.87Å; T1171-F1175 HydrophobicContact CG2-CE2 4.2Å; T1171-F1175 WeakPolarHBondContact O-CD2 3.3Å; T1171-F1175 PolarHBondContact O-N 3.09Å; Q1172-F1175 PolarHBondContact O-N 3.23Å; F1175-A1177 PolarHBondContact O-N 3.26Å; F1175-F1178 HydrophobicContact CD1-CD1 4.32Å; F1175-F1178 PolarHBondContact O-N 3.4Å; F1175-F1178 VanDerWaalsContact O-N 3.15Å; F1175-F1179 HydrophobicContact CB-CD2 3.97Å; F1175-F1179 HydrophobicContact CB-CE1 4.22Å; F1175-F1179 HydrophobicContact CB-CE2 3.53Å; F1175-F1179 HydrophobicContact CB-CZ 3.66Å; F1175-F1179 AromaticContact CD1-CE1 3.78Å; F1175-F1179 HydrophobicContact CD1-CE1 3.78Å; F1175-F1179 HydrophobicContact CD1-CE2 4.44Å; F1175-F1179 AromaticContact CD1-CZ 3.69Å; F1175-F1179 HydrophobicContact CD1-CZ 3.69Å; F1175-F1179 HydrophobicContact CG-CE1 4.27Å; F1175-F1179 HydrophobicContact CG-CE2 4.12Å; F1175-F1179 AromaticContact CG-CZ 3.75Å; F1175-F1179 HydrophobicContact CG-CZ 3.75Å; F1175-F1179 WeakPolarHBondContact O-CD2 3.44Å; F1175-F1179 WeakPolarHBondContact O-CG 3.19Å; F1175-F1179 PolarHBondContact O-N 3.07Å; F1175-D1279 HydrophobicContact CE2-CB 3.79Å; F1175-D1279 HydrophobicContact CZ-CB 4.2Å; F1175-D1279 VanDerWaalsContact CZ-O 3.28Å; F1175-D1279 WeakPolarHBondContact CZ-O 3.41Å; F1175-L1282 HydrophobicContact CD1-CD2 4.4Å; F1175-L1282 HydrophobicContact CD2-CD2 4.44Å; F1175-L1282 HydrophobicContact CE1-CB 4.35Å; F1175-L1282 HydrophobicContact CE1-CD2 3.84Å; F1175-L1282 HydrophobicContact CE1-CG 4.01Å; F1175-L1282 HydrophobicContact CE2-CD2 3.87Å; F1175-L1282 HydrophobicContact CZ-CB 3.8Å; F1175-L1282 HydrophobicContact CZ-CD2 3.54Å; F1175-L1282 HydrophobicContact CZ-CG 3.85Å; F1175-H1283 HydrophobicContact CE1-CB 4.01Å; F1175-H1283 HydrophobicContact CZ-CB 4.26Å |
| 1176 | E | 97.3 | Very high | 94.7 | Very high | 51 Ų | 51 | 68 Ų | 68 | 24% | 0.238 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.4 | -47.4 | -174.8 | -177.9 | 175 | 171.2 | 0 | 0 | 111.7 | L1162 Q1172 K1180 V1188 | L1162-E1176 HydrophobicContact CD2-CB 3.92Å; Q1172-E1176 HydrophobicContact CG-CB 4.28Å; Q1172-E1176 WeakPolarHBondContact CG-OE2 3.42Å; Q1172-E1176 PolarHBondContact NE2-OE2 2.89Å; Q1172-E1176 WeakPolarHBondContact O-CB 3.42Å; Q1172-E1176 PolarHBondContact O-N 3.34Å; E1176-K1180 HydrophobicContact CG-CD 4.33Å; E1176-K1180 WeakPolarHBondContact O-CB 3.46Å; E1176-K1180 VanDerWaalsContact O-CG 3.25Å; E1176-K1180 WeakPolarHBondContact O-CG 3.45Å; E1176-K1180 PolarHBondContact O-N 3.41Å; E1176-K1180 VanDerWaalsContact O-N 3.17Å; E1176-K1180 IonicContact OE1-NZ 2.72Å; E1176-K1180 PolarHBondContact OE1-NZ 2.9Å; E1176-V1188 HydrophobicContact CG-CG2 4.18Å |
| 1177 | A | 94.6 | Very high | 94.9 | Very high | 57 Ų | 57 | 60.2 Ų | 60.2 | 47% | 0.471 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1175 K1180 N1181 | F1175-A1177 PolarHBondContact O-N 3.26Å; A1177-K1180 PolarHBondContact O-N 2.78Å; A1177-N1181 WeakPolarHBondContact O-CB 3.45Å; A1177-N1181 PolarHBondContact O-N 3.35Å; A1177-N1181 PolarHBondContact O-ND2 3.32Å; A1177-N1181 PolarHBondContact O-OD1 3.31Å |
| 1178 | F | 95.5 | Very high | 95.2 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 179.7 | -175.9 | -94.9 | 0 | 0 | 0 | 112 | F1175 N1181 L1182 H1283 L1286 | F1175-F1178 HydrophobicContact CD1-CD1 4.32Å; F1175-F1178 PolarHBondContact O-N 3.4Å; F1175-F1178 VanDerWaalsContact O-N 3.15Å; F1178-N1181 PolarHBondContact O-N 3Å; F1178-L1182 HydrophobicContact CD1-CD1 3.93Å; F1178-L1182 HydrophobicContact CE1-CD1 3.48Å; F1178-L1182 VanDerWaalsContact CE1-CD1 3.48Å; F1178-L1182 HydrophobicContact CE1-CG 4.48Å; F1178-L1182 HydrophobicContact CZ-CD1 4.05Å; F1178-L1182 WeakPolarHBondContact O-CG 3.39Å; F1178-L1182 PolarHBondContact O-N 3.02Å; F1178-H1283 AromaticContact CD2-CD2 3.83Å; F1178-H1283 AromaticContact CD2-NE2 3.74Å; F1178-H1283 AromaticContact CE2-CD2 3.75Å; F1178-H1283 AromaticContact CE2-NE2 3.64Å; F1178-L1286 HydrophobicContact CE1-CB 3.93Å; F1178-L1286 HydrophobicContact CE1-CD1 3.84Å; F1178-L1286 HydrophobicContact CZ-CB 4.1Å |
| 1179 | F | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.2 | -35.9 | 178.4 | -60.7 | -27.3 | 0 | 0 | 0 | 112.7 | Y1160 L1162 F1175 N1181 L1182 H1183 W1184 V1207 L1282 L1286 | Y1160-F1179 HydrophobicContact CD1-CB 3.69Å; Y1160-F1179 AromaticContact CD1-CD2 3.89Å; Y1160-F1179 HydrophobicContact CD1-CD2 3.89Å; Y1160-F1179 HydrophobicContact CD1-CG 4.02Å; Y1160-F1179 AromaticContact CD2-CD2 3.54Å; Y1160-F1179 HydrophobicContact CD2-CD2 3.54Å; Y1160-F1179 HydrophobicContact CD2-CE2 4.12Å; Y1160-F1179 HydrophobicContact CD2-CG 4.45Å; Y1160-F1179 HydrophobicContact CE1-CB 3.57Å; Y1160-F1179 HydrophobicContact CE1-CD2 4.28Å; Y1160-F1179 HydrophobicContact CE1-CG 4.33Å; Y1160-F1179 HydrophobicContact CE2-CB 4.49Å; Y1160-F1179 AromaticContact CE2-CD2 3.96Å; Y1160-F1179 HydrophobicContact CE2-CD2 3.96Å; Y1160-F1179 HydrophobicContact CG-CB 4.22Å; Y1160-F1179 AromaticContact CG-CD2 3.49Å; Y1160-F1179 HydrophobicContact CG-CD2 3.49Å; Y1160-F1179 VanDerWaalsContact CG-CD2 3.49Å; Y1160-F1179 HydrophobicContact CG-CE2 4.1Å; Y1160-F1179 HydrophobicContact CG-CG 4.08Å; L1162-F1179 HydrophobicContact CD2-CD2 4.27Å; L1162-F1179 HydrophobicContact CD2-CE2 4.34Å; F1175-F1179 HydrophobicContact CB-CD2 3.97Å; F1175-F1179 HydrophobicContact CB-CE1 4.22Å; F1175-F1179 HydrophobicContact CB-CE2 3.53Å; F1175-F1179 HydrophobicContact CB-CZ 3.66Å; F1175-F1179 AromaticContact CD1-CE1 3.78Å; F1175-F1179 HydrophobicContact CD1-CE1 3.78Å; F1175-F1179 HydrophobicContact CD1-CE2 4.44Å; F1175-F1179 AromaticContact CD1-CZ 3.69Å; F1175-F1179 HydrophobicContact CD1-CZ 3.69Å; F1175-F1179 HydrophobicContact CG-CE1 4.27Å; F1175-F1179 HydrophobicContact CG-CE2 4.12Å; F1175-F1179 AromaticContact CG-CZ 3.75Å; F1175-F1179 HydrophobicContact CG-CZ 3.75Å; F1175-F1179 WeakPolarHBondContact O-CD2 3.44Å; F1175-F1179 WeakPolarHBondContact O-CG 3.19Å; F1175-F1179 PolarHBondContact O-N 3.07Å; F1179-N1181 VanDerWaalsContact C-N 3.34Å; F1179-L1182 CarbonylContact O-C 3.54Å; F1179-L1182 PolarHBondContact O-N 2.95Å; F1179-H1183 PolarHBondContact O-N 3.05Å; F1179-W1184 HydrophobicContact CB-CE3 4.11Å; F1179-W1184 AromaticContact CD1-CE3 3.52Å; F1179-W1184 HydrophobicContact CD1-CE3 3.52Å; F1179-W1184 HydrophobicContact CD1-CH2 4.42Å; F1179-W1184 AromaticContact CD1-CZ3 3.47Å; F1179-W1184 HydrophobicContact CD1-CZ3 3.47Å; F1179-W1184 VanDerWaalsContact CD1-CZ3 3.47Å; F1179-W1184 HydrophobicContact CE1-CE3 4.11Å; F1179-W1184 HydrophobicContact CE1-CH2 4.48Å; F1179-W1184 AromaticContact CE1-CZ3 3.6Å; F1179-W1184 HydrophobicContact CE1-CZ3 3.6Å; F1179-W1184 AromaticContact CG-CE3 3.88Å; F1179-W1184 HydrophobicContact CG-CE3 3.88Å; F1179-W1184 HydrophobicContact CG-CZ3 4.24Å; F1179-W1184 HydrophobicContact CZ-CZ3 4.41Å; F1179-W1184 PolarHBondContact O-N 3.25Å; F1179-W1184 VanDerWaalsContact O-N 3.17Å; F1179-V1207 HydrophobicContact CZ-CG1 4.14Å; F1179-L1282 HydrophobicContact CZ-CD2 4.36Å; F1179-L1286 HydrophobicContact CE1-CD1 3.74Å |
| 1180 | K | 94.4 | Very high | 95.3 | Very high | 108 Ų | 108 | 58.6 Ų | 58.6 | 47% | 0.47 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 173.5 | -74.7 | 176.8 | -172.5 | 174.5 | 0 | 112.1 | E1176 A1177 L1182 H1183 | E1176-K1180 HydrophobicContact CG-CD 4.33Å; E1176-K1180 WeakPolarHBondContact O-CB 3.46Å; E1176-K1180 VanDerWaalsContact O-CG 3.25Å; E1176-K1180 WeakPolarHBondContact O-CG 3.45Å; E1176-K1180 PolarHBondContact O-N 3.41Å; E1176-K1180 VanDerWaalsContact O-N 3.17Å; E1176-K1180 IonicContact OE1-NZ 2.72Å; E1176-K1180 PolarHBondContact OE1-NZ 2.9Å; A1177-K1180 PolarHBondContact O-N 2.78Å; K1180-L1182 PolarHBondContact O-N 2.96Å; K1180-H1183 WeakPolarHBondContact O-CA 3.4Å; K1180-H1183 PolarHBondContact O-N 2.92Å |
| 1181 | N | 93.2 | Very high | 95.2 | Very high | 126 Ų | 126 | 55.5 Ų | 55.5 | 67% | 0.674 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -68.3 | -22.8 | 175.1 | -69.8 | -9.8 | 0 | 0 | 0 | 112.9 | A1177 F1178 F1179 H1183 | A1177-N1181 WeakPolarHBondContact O-CB 3.45Å; A1177-N1181 PolarHBondContact O-N 3.35Å; A1177-N1181 PolarHBondContact O-ND2 3.32Å; A1177-N1181 PolarHBondContact O-OD1 3.31Å; F1178-N1181 PolarHBondContact O-N 3Å; F1179-N1181 VanDerWaalsContact C-N 3.34Å; N1181-H1183 VanDerWaalsContact C-N 3.27Å |
| 1182 | L | 91.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 2.9 | 169.9 | -65 | 173 | 0 | 0 | 0 | 112.9 | K1155 F1178 F1179 K1180 W1184 Q1291 | K1155-L1182 HydrophobicContact CD-CD2 4.44Å; K1155-L1182 HydrophobicContact CG-CD2 4.49Å; F1178-L1182 HydrophobicContact CD1-CD1 3.93Å; F1178-L1182 HydrophobicContact CE1-CD1 3.48Å; F1178-L1182 VanDerWaalsContact CE1-CD1 3.48Å; F1178-L1182 HydrophobicContact CE1-CG 4.48Å; F1178-L1182 HydrophobicContact CZ-CD1 4.05Å; F1178-L1182 WeakPolarHBondContact O-CG 3.39Å; F1178-L1182 PolarHBondContact O-N 3.02Å; F1179-L1182 CarbonylContact O-C 3.54Å; F1179-L1182 PolarHBondContact O-N 2.95Å; K1180-L1182 PolarHBondContact O-N 2.96Å; L1182-W1184 HydrophobicContact CB-CD2 4.14Å; L1182-W1184 HydrophobicContact CB-CG 4.05Å; L1182-W1184 HydrophobicContact CD1-CD2 4.32Å; L1182-W1184 HydrophobicContact CD1-CH2 4.08Å; L1182-W1184 HydrophobicContact CD1-CZ2 3.68Å; L1182-W1184 PolarHBondContact O-N 2.86Å; L1182-Q1291 HydrophobicContact CD2-CG 4.16Å |
| 1183 | H | 92.8 | Very high | 94.8 | Very high | 152 Ų | 152 | 57.1 Ų | 57.1 | 70% | 0.704 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 27.3 | -178.4 | -54.1 | -64.5 | 0 | 0 | 0 | 114.8 | F1179 K1180 N1181 | F1179-H1183 PolarHBondContact O-N 3.05Å; K1180-H1183 WeakPolarHBondContact O-CA 3.4Å; K1180-H1183 PolarHBondContact O-N 2.92Å; N1181-H1183 VanDerWaalsContact C-N 3.27Å |
| 1184 | W | 96.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | trans | -74.6 | 144.1 | -179.6 | -65.1 | -4.7 | 0 | 0 | 0 | 112.4 | K1155 A1158 Y1160 F1179 L1182 L1205 V1207 L1286 L1290 | K1155-W1184 PolarHBondContact O-NE1 3.41Å; A1158-W1184 HydrophobicContact CB-CB 4.48Å; A1158-W1184 HydrophobicContact CB-CD2 3.6Å; A1158-W1184 VanDerWaalsContact CB-CE2 3.49Å; A1158-W1184 HydrophobicContact CB-CE3 4.22Å; A1158-W1184 HydrophobicContact CB-CG 3.73Å; A1158-W1184 HydrophobicContact CB-CZ2 4.03Å; Y1160-W1184 HydrophobicContact CD1-CB 3.68Å; Y1160-W1184 HydrophobicContact CD1-CE3 4.24Å; Y1160-W1184 HydrophobicContact CE1-CB 3.93Å; Y1160-W1184 WeakPolarHBondContact CE1-O 3.2Å; F1179-W1184 HydrophobicContact CB-CE3 4.11Å; F1179-W1184 AromaticContact CD1-CE3 3.52Å; F1179-W1184 HydrophobicContact CD1-CE3 3.52Å; F1179-W1184 HydrophobicContact CD1-CH2 4.42Å; F1179-W1184 AromaticContact CD1-CZ3 3.47Å; F1179-W1184 HydrophobicContact CD1-CZ3 3.47Å; F1179-W1184 VanDerWaalsContact CD1-CZ3 3.47Å; F1179-W1184 HydrophobicContact CE1-CE3 4.11Å; F1179-W1184 HydrophobicContact CE1-CH2 4.48Å; F1179-W1184 AromaticContact CE1-CZ3 3.6Å; F1179-W1184 HydrophobicContact CE1-CZ3 3.6Å; F1179-W1184 AromaticContact CG-CE3 3.88Å; F1179-W1184 HydrophobicContact CG-CE3 3.88Å; F1179-W1184 HydrophobicContact CG-CZ3 4.24Å; F1179-W1184 HydrophobicContact CZ-CZ3 4.41Å; F1179-W1184 PolarHBondContact O-N 3.25Å; F1179-W1184 VanDerWaalsContact O-N 3.17Å; L1182-W1184 HydrophobicContact CB-CD2 4.14Å; L1182-W1184 HydrophobicContact CB-CG 4.05Å; L1182-W1184 HydrophobicContact CD1-CD2 4.32Å; L1182-W1184 HydrophobicContact CD1-CH2 4.08Å; L1182-W1184 HydrophobicContact CD1-CZ2 3.68Å; L1182-W1184 PolarHBondContact O-N 2.86Å; W1184-L1205 HydrophobicContact CH2-CD2 3.55Å; W1184-L1205 HydrophobicContact CZ2-CD2 3.66Å; W1184-L1205 HydrophobicContact CZ3-CD2 4.4Å; W1184-V1207 HydrophobicContact CH2-CG2 4.1Å; W1184-V1207 HydrophobicContact CZ3-CB 4.37Å; W1184-V1207 HydrophobicContact CZ3-CG2 3.7Å; W1184-L1286 HydrophobicContact CH2-CD1 3.93Å; W1184-L1286 HydrophobicContact CH2-CD2 3.97Å; W1184-L1286 HydrophobicContact CZ3-CD1 4.25Å; W1184-L1290 HydrophobicContact CH2-CD1 4.19Å; W1184-L1290 HydrophobicContact CZ2-CD1 3.74Å | ||
| 1185 | Q | 95.7 | Very high | 94.1 | Very high | 102 Ų | 102 | 55.5 Ų | 55.5 | 48% | 0.477 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 149.6 | 167.3 | -67.7 | 177.2 | -16.2 | 0 | 0 | 109.3 | A1158 F1159 Y1160 K1203 | A1158-Q1185 PolarHBondContact O-N 3.18Å; F1159-Q1185 CarbonylContact C-O 3.53Å; F1159-Q1185 WeakPolarHBondContact CA-O 3.28Å; F1159-Q1185 HydrophobicContact CD2-CB 3.77Å; F1159-Q1185 HydrophobicContact CE2-CB 4.24Å; Y1160-Q1185 WeakPolarHBondContact CD1-O 3.46Å; Y1160-Q1185 WeakPolarHBondContact CE1-O 3.35Å; Y1160-Q1185 PolarHBondContact N-O 3.48Å; Q1185-K1203 VanDerWaalsContact OE1-CE 3.25Å |
| 1186 | G | 95.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 57.9 Ų | 57.9 | 32% | 0.32 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | 174.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y1160 | Y1160-G1186 CarbonylContact O-C 3.6Å; Y1160-G1186 WeakPolarHBondContact O-CA 3.41Å |
| 1187 | C | 96.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128 | 178.6 | -64.5 | 0 | 0 | 0 | 0 | 110 | Y1160 L1162 R1190 E1196 | Y1160-C1187 PolarHBondContact O-N 3.34Å; L1162-C1187 PolarHBondContact N-O 3.07Å; C1187-R1190 HydrophobicContact CB-CG 4.3Å; C1187-R1190 VanDerWaalsContact SG-CZ 3.51Å; C1187-R1190 PolarHBondContact SG-NH1 3.15Å; C1187-R1190 VanDerWaalsContact SG-NH1 3.39Å; C1187-R1190 PolarHBondContact SG-NH2 3.16Å; C1187-E1196 PolarHBondContact SG-OE2 3.46Å |
| 1188 | V | 97.5 | Very high | 93.4 | Very high | 41 Ų | 41 | 56.3 Ų | 56.3 | 25% | 0.248 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131 | 175.2 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | Y1160 L1162 Q1172 E1176 R1190 | Y1160-V1188 HydrophobicContact CE2-CG2 3.68Å; L1162-V1188 HydrophobicContact CB-CG2 4.46Å; L1162-V1188 HydrophobicContact CD2-CG2 4.41Å; L1162-V1188 WeakPolarHBondContact O-CA 3.24Å; Q1172-V1188 HydrophobicContact CG-CG1 3.74Å; E1176-V1188 HydrophobicContact CG-CG2 4.18Å; V1188-R1190 PolarHBondContact O-N 3.15Å |
| 1189 | G | 95.2 | Very high | 93.1 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 9% | 0.093 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 68.3 | 17.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1162 N1163 R1166 | L1162-G1189 PolarHBondContact O-N 2.89Å; N1163-G1189 WeakPolarHBondContact O-CA 3.35Å; N1163-G1189 PolarHBondContact O-N 3.36Å; R1166-G1189 WeakPolarHBondContact CG-O 3.1Å; R1166-G1189 VanDerWaalsContact CZ-O 3.32Å; R1166-G1189 PolarHBondContact NE-O 2.83Å; R1166-G1189 PolarHBondContact NH2-O 2.91Å; R1166-G1189 VanDerWaalsContact NH2-O 3.09Å |
| 1190 | R | 94.7 | Very high | 93 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 36% | 0.362 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -155.7 | 156.5 | 175.1 | 64.4 | 173.6 | -177.1 | 85.1 | -4.4 | 110.9 | C1187 V1188 E1196 | C1187-R1190 HydrophobicContact CB-CG 4.3Å; C1187-R1190 VanDerWaalsContact SG-CZ 3.51Å; C1187-R1190 PolarHBondContact SG-NH1 3.15Å; C1187-R1190 VanDerWaalsContact SG-NH1 3.39Å; C1187-R1190 PolarHBondContact SG-NH2 3.16Å; V1188-R1190 PolarHBondContact O-N 3.15Å; R1190-E1196 IonicContact CZ-OE1 3.91Å; R1190-E1196 IonicContact CZ-OE2 3.97Å; R1190-E1196 IonicContact NH1-OE1 3.9Å; R1190-E1196 IonicContact NH1-OE2 3.54Å; R1190-E1196 PolarHBondContact NH1-OE2 3.34Å; R1190-E1196 IonicContact NH2-OE1 3.9Å; R1190-E1196 PolarHBondContact NH2-OE1 3.29Å; R1190-E1196 IonicContact NH2-OE2 3.94Å; R1190-E1196 PolarHBondContact NH2-OE2 3.14Å |
| 1191 | D | 91.6 | Very high | 92.9 | Very high | 67 Ų | 67 | 52.8 Ų | 52.8 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 142.6 | 165.1 | -86.8 | -56.4 | 0 | 0 | 0 | 110.4 | R1216 Y1217 | D1191-R1216 IonicContact OD1-NH1 3.53Å; D1191-R1216 IonicContact OD2-NH1 2.75Å; D1191-R1216 PolarHBondContact OD2-NH1 3.5Å; D1191-Y1217 WeakPolarHBondContact OD1-CE1 3.35Å; D1191-Y1217 PolarHBondContact OD1-OH 2.57Å |
| 1192 | P | 92 | Very high | 92.8 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 153.5 | 170.1 | 29.2 | -35.5 | 0 | 0 | 0 | 111.7 | V1161 E1196 I1197 Y1217 | V1161-P1192 HydrophobicContact CG2-CB 4.4Å; V1161-P1192 HydrophobicContact CG2-CG 3.78Å; P1192-E1196 VanDerWaalsContact CA-OE2 3.23Å; P1192-E1196 WeakPolarHBondContact CA-OE2 3.47Å; P1192-E1196 HydrophobicContact CB-CB 3.92Å; P1192-I1197 HydrophobicContact CB-CD1 3.87Å; P1192-I1197 HydrophobicContact CB-CG1 3.92Å; P1192-I1197 HydrophobicContact CG-CD1 3.22Å; P1192-I1197 HydrophobicContact CG-CG1 3.53Å; P1192-Y1217 HydrophobicContact CG-CD1 4.04Å; P1192-Y1217 HydrophobicContact CG-CE1 3.71Å |
| 1193 | T | 91.3 | Very high | 93 | Very high | 72 Ų | 72 | 53.8 Ų | 53.8 | 44% | 0.442 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 167.9 | 170.7 | 69.9 | 0 | 0 | 0 | 0 | 111.3 | D1195 E1196 I1197 | T1193-D1195 VanDerWaalsContact C-N 3.31Å; T1193-D1195 PolarHBondContact O-N 2.97Å; T1193-E1196 PolarHBondContact N-OE2 3.47Å; T1193-E1196 PolarHBondContact O-N 2.75Å; T1193-E1196 WeakPolarHBondContact OG1-CB 3.22Å; T1193-E1196 VanDerWaalsContact OG1-CG 3.3Å; T1193-E1196 WeakPolarHBondContact OG1-CG 3.45Å; T1193-E1196 PolarHBondContact OG1-N 3.19Å; T1193-I1197 PolarHBondContact O-N 3.05Å |
| 1194 | I | 85.4 | Confident | 93.1 | Very high | 83 Ų | 83 | 48.4 Ų | 48.4 | 43% | 0.426 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.5 | -47.1 | 175.6 | -69.6 | 171.6 | 0 | 0 | 0 | 110.4 | E1196 I1197 R1198 I1220 | I1194-E1196 PolarHBondContact O-N 2.96Å; I1194-I1197 PolarHBondContact O-N 3.34Å; I1194-R1198 HydrophobicContact CG2-CG 4.43Å; I1194-R1198 WeakPolarHBondContact O-CG 3.34Å; I1194-R1198 PolarHBondContact O-N 3.37Å; I1194-I1220 HydrophobicContact CB-CG2 4.19Å; I1194-I1220 HydrophobicContact CG1-CD1 4.39Å; I1194-I1220 HydrophobicContact CG1-CG2 4.06Å; I1194-I1220 HydrophobicContact CG2-CG2 3.68Å |
| 1195 | D | 88.9 | Confident | 93.2 | Very high | 114 Ų | 114 | 47.8 Ų | 47.8 | 61% | 0.61 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66 | -38.4 | -179.7 | -60.3 | -41.5 | 0 | 0 | 0 | 112.4 | T1193 I1197 R1198 S1199 | T1193-D1195 VanDerWaalsContact C-N 3.31Å; T1193-D1195 PolarHBondContact O-N 2.97Å; D1195-I1197 PolarHBondContact O-N 2.65Å; D1195-R1198 PolarHBondContact O-N 3.38Å; D1195-S1199 WeakPolarHBondContact O-CB 3.45Å; D1195-S1199 PolarHBondContact O-N 2.94Å |
| 1196 | E | 93.9 | Very high | 93.2 | Very high | 50 Ų | 50 | 42.9 Ų | 42.9 | 23% | 0.234 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 173.9 | -75.2 | 174.6 | 148.7 | 0 | 0 | 111.2 | F1159 C1187 R1190 P1192 T1193 I1194 S1199 A1200 | F1159-E1196 HydrophobicContact CZ-CB 4.12Å; C1187-E1196 PolarHBondContact SG-OE2 3.46Å; R1190-E1196 IonicContact CZ-OE1 3.91Å; R1190-E1196 IonicContact CZ-OE2 3.97Å; R1190-E1196 IonicContact NH1-OE1 3.9Å; R1190-E1196 IonicContact NH1-OE2 3.54Å; R1190-E1196 PolarHBondContact NH1-OE2 3.34Å; R1190-E1196 IonicContact NH2-OE1 3.9Å; R1190-E1196 PolarHBondContact NH2-OE1 3.29Å; R1190-E1196 IonicContact NH2-OE2 3.94Å; R1190-E1196 PolarHBondContact NH2-OE2 3.14Å; P1192-E1196 VanDerWaalsContact CA-OE2 3.23Å; P1192-E1196 WeakPolarHBondContact CA-OE2 3.47Å; P1192-E1196 HydrophobicContact CB-CB 3.92Å; T1193-E1196 PolarHBondContact N-OE2 3.47Å; T1193-E1196 PolarHBondContact O-N 2.75Å; T1193-E1196 WeakPolarHBondContact OG1-CB 3.22Å; T1193-E1196 VanDerWaalsContact OG1-CG 3.3Å; T1193-E1196 WeakPolarHBondContact OG1-CG 3.45Å; T1193-E1196 PolarHBondContact OG1-N 3.19Å; I1194-E1196 PolarHBondContact O-N 2.96Å; E1196-S1199 PolarHBondContact O-N 3.42Å; E1196-A1200 WeakPolarHBondContact O-CB 3.26Å; E1196-A1200 PolarHBondContact O-N 3.21Å |
| 1197 | I | 91.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -44.9 | 176.1 | -73.8 | -57.4 | 0 | 0 | 0 | 112.2 | P1192 T1193 I1194 D1195 S1199 A1200 L1201 F1206 Y1217 I1220 V1221 | P1192-I1197 HydrophobicContact CB-CD1 3.87Å; P1192-I1197 HydrophobicContact CB-CG1 3.92Å; P1192-I1197 HydrophobicContact CG-CD1 3.22Å; P1192-I1197 HydrophobicContact CG-CG1 3.53Å; T1193-I1197 PolarHBondContact O-N 3.05Å; I1194-I1197 PolarHBondContact O-N 3.34Å; D1195-I1197 PolarHBondContact O-N 2.65Å; I1197-S1199 VanDerWaalsContact C-N 3.27Å; I1197-S1199 PolarHBondContact O-N 2.85Å; I1197-A1200 PolarHBondContact O-N 3.03Å; I1197-L1201 PolarHBondContact O-N 3.16Å; I1197-F1206 HydrophobicContact CD1-CE2 4.28Å; I1197-F1206 HydrophobicContact CD1-CZ 4.3Å; I1197-Y1217 HydrophobicContact CD1-CD1 3.55Å; I1197-Y1217 HydrophobicContact CD1-CE1 4.33Å; I1197-Y1217 HydrophobicContact CD1-CG 3.76Å; I1197-Y1217 HydrophobicContact CG1-CD1 3.86Å; I1197-Y1217 HydrophobicContact CG1-CG 4.39Å; I1197-Y1217 WeakPolarHBondContact CG2-O 3.46Å; I1197-I1220 HydrophobicContact CG1-CD1 4.45Å; I1197-I1220 HydrophobicContact CG2-CB 4.34Å; I1197-I1220 HydrophobicContact CG2-CG2 4.42Å; I1197-V1221 HydrophobicContact CG2-CG2 3.98Å |
| 1198 | R | 89 | Confident | 93.3 | Very high | 74 Ų | 74 | 41.4 Ų | 41.4 | 28% | 0.279 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 177.8 | -68.5 | 179.5 | 75.7 | -179.8 | 8.1 | 111.4 | I1194 D1195 K1202 D1226 | I1194-R1198 HydrophobicContact CG2-CG 4.43Å; I1194-R1198 WeakPolarHBondContact O-CG 3.34Å; I1194-R1198 PolarHBondContact O-N 3.37Å; D1195-R1198 PolarHBondContact O-N 3.38Å; R1198-K1202 WeakPolarHBondContact O-CG 3.34Å; R1198-D1226 IonicContact CZ-OD2 2.74Å; R1198-D1226 IonicContact NE-OD2 2.88Å; R1198-D1226 PolarHBondContact NE-OD2 3.33Å; R1198-D1226 IonicContact NH2-OD1 2.95Å; R1198-D1226 PolarHBondContact NH2-OD1 3.18Å; R1198-D1226 IonicContact NH2-OD2 3.35Å; R1198-D1226 PolarHBondContact NH2-OD2 3.29Å |
| 1199 | S | 90.9 | Very high | 93.2 | Very high | 58 Ų | 58 | 39.5 Ų | 39.5 | 41% | 0.406 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.2 | -43.4 | 173.6 | -168.7 | 0 | 0 | 0 | 0 | 111.6 | D1195 E1196 I1197 L1201 K1202 K1203 | D1195-S1199 WeakPolarHBondContact O-CB 3.45Å; D1195-S1199 PolarHBondContact O-N 2.94Å; E1196-S1199 PolarHBondContact O-N 3.42Å; I1197-S1199 VanDerWaalsContact C-N 3.27Å; I1197-S1199 PolarHBondContact O-N 2.85Å; S1199-L1201 PolarHBondContact O-N 3.46Å; S1199-K1202 WeakPolarHBondContact O-CB 3.28Å; S1199-K1202 PolarHBondContact O-N 3.28Å; S1199-K1202 VanDerWaalsContact O-N 3.13Å; S1199-K1203 PolarHBondContact O-N 2.82Å |
| 1200 | A | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1159 E1196 I1197 K1202 K1203 F1206 | F1159-A1200 HydrophobicContact CB-CB 3.66Å; F1159-A1200 HydrophobicContact CD1-CB 3.38Å; F1159-A1200 HydrophobicContact CD2-CB 3.94Å; F1159-A1200 HydrophobicContact CE1-CB 3.93Å; F1159-A1200 HydrophobicContact CE2-CB 4.42Å; F1159-A1200 HydrophobicContact CG-CB 3.38Å; F1159-A1200 HydrophobicContact CZ-CB 4.41Å; E1196-A1200 WeakPolarHBondContact O-CB 3.26Å; E1196-A1200 PolarHBondContact O-N 3.21Å; I1197-A1200 PolarHBondContact O-N 3.03Å; A1200-K1202 PolarHBondContact O-N 3.27Å; A1200-K1203 VanDerWaalsContact O-CB 3.26Å; A1200-K1203 WeakPolarHBondContact O-CB 3.43Å; A1200-K1203 WeakPolarHBondContact O-CG 3.31Å; A1200-K1203 PolarHBondContact O-N 3.21Å; A1200-F1206 HydrophobicContact CB-CD2 3.81Å; A1200-F1206 HydrophobicContact CB-CE2 4.06Å |
| 1201 | L | 92.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -5.1 | 179 | -61.3 | -165.1 | 0 | 0 | 0 | 113.8 | I1197 S1199 F1206 I1218 V1221 C1228 H1229 A1230 V1232 Y1258 | I1197-L1201 PolarHBondContact O-N 3.16Å; S1199-L1201 PolarHBondContact O-N 3.46Å; L1201-F1206 HydrophobicContact CD2-CB 3.98Å; L1201-F1206 HydrophobicContact CD2-CD1 3.81Å; L1201-F1206 HydrophobicContact CD2-CD2 4.19Å; L1201-F1206 HydrophobicContact CD2-CE1 4.34Å; L1201-F1206 HydrophobicContact CD2-CG 3.71Å; L1201-I1218 HydrophobicContact CD1-CD1 4.01Å; L1201-V1221 HydrophobicContact CB-CG2 4.41Å; L1201-V1221 HydrophobicContact CD1-CB 4.08Å; L1201-V1221 HydrophobicContact CD1-CG1 4.34Å; L1201-V1221 HydrophobicContact CD1-CG2 3.48Å; L1201-V1221 VanDerWaalsContact CD1-CG2 3.48Å; L1201-V1221 HydrophobicContact CG-CG2 4.19Å; L1201-C1228 HydrophobicContact CD1-CB 4.42Å; L1201-H1229 PolarHBondContact O-N 2.95Å; L1201-A1230 PolarHBondContact O-N 3.42Å; L1201-A1230 VanDerWaalsContact O-N 3.08Å; L1201-V1232 HydrophobicContact CD2-CG2 4.36Å; L1201-Y1258 HydrophobicContact CD1-CE1 4.32Å; L1201-Y1258 HydrophobicContact CD2-CE1 4.46Å |
| 1202 | K | 92.5 | Very high | 92.1 | Very high | 115 Ų | 115 | 37.2 Ų | 37.2 | 50% | 0.5 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -7.9 | 169.4 | -70.3 | 175.6 | -176.9 | -179 | 0 | 113.3 | R1198 S1199 A1200 | R1198-K1202 WeakPolarHBondContact O-CG 3.34Å; S1199-K1202 WeakPolarHBondContact O-CB 3.28Å; S1199-K1202 PolarHBondContact O-N 3.28Å; S1199-K1202 VanDerWaalsContact O-N 3.13Å; A1200-K1202 PolarHBondContact O-N 3.27Å |
| 1203 | K | 94.7 | Very high | 91.2 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -72.6 | 174.6 | 171.6 | -59.1 | -69.3 | -175.8 | 165.2 | 0 | 110.7 | N1157 F1159 Q1185 S1199 A1200 H1229 A1230 | N1157-K1203 WeakPolarHBondContact OD1-CD 3.42Å; F1159-K1203 HydrophobicContact CB-CG 4.13Å; Q1185-K1203 VanDerWaalsContact OE1-CE 3.25Å; S1199-K1203 PolarHBondContact O-N 2.82Å; A1200-K1203 VanDerWaalsContact O-CB 3.26Å; A1200-K1203 WeakPolarHBondContact O-CB 3.43Å; A1200-K1203 WeakPolarHBondContact O-CG 3.31Å; A1200-K1203 PolarHBondContact O-N 3.21Å; K1203-H1229 CarbonylContact O-C 3.59Å; K1203-A1230 WeakPolarHBondContact O-CA 3.24Å; K1203-A1230 VanDerWaalsContact O-CB 3.29Å; K1203-A1230 WeakPolarHBondContact O-CB 3.39Å; K1203-A1230 PolarHBondContact O-N 3.46Å |
| 1204 | D | 95.8 | Very high | 90.3 | Very high | 39 Ų | 39 | 34.5 Ų | 34.5 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -79.4 | -31.2 | 175 | -62.3 | -9 | 0 | 0 | 0 | 111.6 | V1153 V1154 N1157 I1231 | V1153-D1204 HydrophobicContact CB-CB 4.44Å; V1153-D1204 HydrophobicContact CG1-CB 4.18Å; V1153-D1204 HydrophobicContact CG2-CB 4.39Å; V1154-D1204 VanDerWaalsContact CB-OD2 3.3Å; V1154-D1204 WeakPolarHBondContact CB-OD2 3.37Å; V1154-D1204 WeakPolarHBondContact CG2-OD2 3.33Å; V1154-D1204 PolarHBondContact N-OD2 3.36Å; N1157-D1204 HydrophobicContact CB-CB 4.38Å; N1157-D1204 PolarHBondContact ND2-N 3.09Å; N1157-D1204 PolarHBondContact ND2-OD1 3.13Å; N1157-D1204 PolarHBondContact ND2-OD2 3.33Å; N1157-D1204 PolarHBondContact O-N 2.92Å; D1204-I1231 VanDerWaalsContact O-CD1 3.31Å; D1204-I1231 WeakPolarHBondContact O-CD1 3.45Å; D1204-I1231 PolarHBondContact O-N 3.45Å |
| 1205 | L | 97.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131.4 | -177.6 | -178.4 | 66.9 | 0 | 0 | 0 | 111.8 | V1153 N1157 A1158 F1159 W1184 V1207 I1231 L1233 W1289 L1290 | V1153-L1205 HydrophobicContact CG1-CB 3.99Å; N1157-L1205 PolarHBondContact O-N 3.43Å; A1158-L1205 CarbonylContact C-O 3.53Å; A1158-L1205 VanDerWaalsContact CA-O 3.23Å; A1158-L1205 WeakPolarHBondContact CA-O 3Å; A1158-L1205 HydrophobicContact CB-CB 3.78Å; A1158-L1205 HydrophobicContact CB-CD2 4.12Å; A1158-L1205 HydrophobicContact CB-CG 4.22Å; F1159-L1205 PolarHBondContact N-O 3.26Å; W1184-L1205 HydrophobicContact CH2-CD2 3.55Å; W1184-L1205 HydrophobicContact CZ2-CD2 3.66Å; W1184-L1205 HydrophobicContact CZ3-CD2 4.4Å; L1205-V1207 HydrophobicContact CD1-CG2 4.25Å; L1205-V1207 HydrophobicContact CD2-CG2 4.02Å; L1205-V1207 HydrophobicContact CG-CG2 3.87Å; L1205-I1231 CarbonylContact C-O 3.47Å; L1205-I1231 WeakPolarHBondContact CA-O 3.41Å; L1205-I1231 HydrophobicContact CD1-CB 4.28Å; L1205-I1231 HydrophobicContact CD1-CG2 4.13Å; L1205-L1233 HydrophobicContact CD1-CD1 4.06Å; L1205-L1233 HydrophobicContact CD1-CG 3.91Å; L1205-W1289 HydrophobicContact CD1-CH2 4.31Å; L1205-W1289 HydrophobicContact CD1-CZ3 4.15Å; L1205-W1289 HydrophobicContact CD2-CZ3 4.43Å; L1205-L1290 HydrophobicContact CD2-CD1 3.87Å |
| 1206 | F | 96.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 121 | 172.3 | 174.7 | -105.9 | 0 | 0 | 0 | 110.1 | F1159 V1161 I1197 A1200 L1201 Y1217 A1230 I1231 V1232 L1233 | F1159-F1206 HydrophobicContact CB-CD2 4.5Å; F1159-F1206 HydrophobicContact CD1-CD2 4.12Å; F1159-F1206 HydrophobicContact CD1-CE2 4.07Å; F1159-F1206 CarbonylContact O-C 3.52Å; F1159-F1206 VanDerWaalsContact O-CA 3.3Å; F1159-F1206 WeakPolarHBondContact O-CA 3.46Å; V1161-F1206 HydrophobicContact CG2-CE2 3.82Å; V1161-F1206 HydrophobicContact CG2-CZ 4.01Å; I1197-F1206 HydrophobicContact CD1-CE2 4.28Å; I1197-F1206 HydrophobicContact CD1-CZ 4.3Å; A1200-F1206 HydrophobicContact CB-CD2 3.81Å; A1200-F1206 HydrophobicContact CB-CE2 4.06Å; L1201-F1206 HydrophobicContact CD2-CB 3.98Å; L1201-F1206 HydrophobicContact CD2-CD1 3.81Å; L1201-F1206 HydrophobicContact CD2-CD2 4.19Å; L1201-F1206 HydrophobicContact CD2-CE1 4.34Å; L1201-F1206 HydrophobicContact CD2-CG 3.71Å; F1206-Y1217 HydrophobicContact CZ-CD2 4.32Å; F1206-A1230 HydrophobicContact CB-CB 3.85Å; F1206-I1231 PolarHBondContact N-O 3.45Å; F1206-V1232 HydrophobicContact CB-CG2 4.24Å; F1206-V1232 HydrophobicContact CD1-CG1 3.99Å; F1206-V1232 HydrophobicContact CD1-CG2 4.18Å; F1206-V1232 CarbonylContact O-C 3.42Å; F1206-V1232 WeakPolarHBondContact O-CA 3.45Å; F1206-L1233 PolarHBondContact O-N 2.94Å |
| 1207 | V | 97.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.1 | -178 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | F1159 Y1160 V1161 F1179 W1184 L1205 L1233 L1282 | F1159-V1207 PolarHBondContact O-N 3.32Å; Y1160-V1207 CarbonylContact C-O 3.58Å; Y1160-V1207 VanDerWaalsContact CA-O 3.23Å; Y1160-V1207 WeakPolarHBondContact CA-O 3.45Å; V1161-V1207 PolarHBondContact N-O 2.9Å; F1179-V1207 HydrophobicContact CZ-CG1 4.14Å; W1184-V1207 HydrophobicContact CH2-CG2 4.1Å; W1184-V1207 HydrophobicContact CZ3-CB 4.37Å; W1184-V1207 HydrophobicContact CZ3-CG2 3.7Å; L1205-V1207 HydrophobicContact CD1-CG2 4.25Å; L1205-V1207 HydrophobicContact CD2-CG2 4.02Å; L1205-V1207 HydrophobicContact CG-CG2 3.87Å; V1207-L1233 HydrophobicContact CG1-CB 4.31Å; V1207-L1233 HydrophobicContact CG2-CB 4.3Å; V1207-L1233 HydrophobicContact CG2-CD1 3.96Å; V1207-L1233 HydrophobicContact CG2-CG 4.29Å; V1207-L1282 HydrophobicContact CG1-CD2 4.26Å |
| 1208 | Y | 96.5 | Very high | 88 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.7 | 174.9 | 172.5 | -107.3 | 0 | 0 | 0 | 110.6 | V1161 P1164 G1210 H1211 Y1217 L1233 L1234 M1235 | V1161-Y1208 HydrophobicContact CB-CD2 4.09Å; V1161-Y1208 HydrophobicContact CG1-CD2 4.01Å; V1161-Y1208 HydrophobicContact CG1-CE2 4.24Å; P1164-Y1208 HydrophobicContact CG-CE2 4.05Å; Y1208-G1210 WeakPolarHBondContact CE1-O 3.38Å; Y1208-G1210 VanDerWaalsContact OH-C 3.29Å; Y1208-G1210 WeakPolarHBondContact OH-CA 3.31Å; Y1208-H1211 PolarHBondContact OH-N 3.17Å; Y1208-H1211 PolarHBondContact OH-O 3.39Å; Y1208-Y1217 HydrophobicContact CD2-CD2 4.35Å; Y1208-Y1217 AromaticContact CD2-CE2 3.55Å; Y1208-Y1217 HydrophobicContact CD2-CE2 3.55Å; Y1208-Y1217 AromaticContact CE2-CE2 3.49Å; Y1208-Y1217 HydrophobicContact CE2-CE2 3.49Å; Y1208-Y1217 VanDerWaalsContact CE2-CE2 3.49Å; Y1208-Y1217 HydrophobicContact CG-CE2 4.39Å; Y1208-L1233 PolarHBondContact N-O 3.25Å; Y1208-L1234 HydrophobicContact CD1-CD2 4.47Å; Y1208-M1235 WeakPolarHBondContact O-CA 3.3Å; Y1208-M1235 VanDerWaalsContact O-CB 3.26Å; Y1208-M1235 WeakPolarHBondContact O-CB 3.47Å; Y1208-M1235 PolarHBondContact O-N 3.32Å |
| 1209 | C | 96.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 95.9 | 174 | -61.9 | 0 | 0 | 0 | 0 | 109.2 | V1161 L1162 N1163 T1171 L1282 | V1161-C1209 PolarHBondContact O-N 2.94Å; L1162-C1209 HydrophobicContact CD1-CB 3.58Å; N1163-C1209 PolarHBondContact N-O 3.31Å; T1171-C1209 HydrophobicContact CG2-CB 4.25Å; C1209-L1282 VanDerWaalsContact SG-CD2 3.53Å |
| 1210 | G | 92.5 | Very high | 86 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -174.4 | 179.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1208 G1236 | Y1208-G1210 WeakPolarHBondContact CE1-O 3.38Å; Y1208-G1210 VanDerWaalsContact OH-C 3.29Å; Y1208-G1210 WeakPolarHBondContact OH-CA 3.31Å; G1210-G1236 WeakPolarHBondContact O-CA 3.41Å |
| 1211 | H | 86.9 | Confident | 84.7 | Confident | 83 Ų | 83 | 30.9 Ų | 30.9 | 38% | 0.384 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -73.1 | 150.2 | 179.6 | -70.7 | -62.8 | 0 | 0 | 0 | 113.5 | D1167 Y1208 | D1167-H1211 IonicContact OD1-CD2 3.87Å; D1167-H1211 PolarHBondContact OD1-CD2 3.16Å; D1167-H1211 VanDerWaalsContact OD1-CD2 3.31Å; D1167-H1211 IonicContact OD1-NE2 3.82Å; D1167-H1211 PolarHBondContact OD1-NE2 3.23Å; D1167-H1211 IonicContact OD2-CD2 3.42Å; D1167-H1211 PolarHBondContact OD2-CD2 3.03Å; D1167-H1211 IonicContact OD2-NE2 2.91Å; D1167-H1211 PolarHBondContact OD2-NE2 3.32Å; Y1208-H1211 PolarHBondContact OH-N 3.17Å; Y1208-H1211 PolarHBondContact OH-O 3.39Å |
| 1212 | G | 78 | Confident | 83.5 | Confident | 36 Ų | 36 | 31.6 Ų | 31.6 | 37% | 0.371 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | -161.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1236 | G1212-G1236 CarbonylContact O-C 3.52Å; G1212-G1236 VanDerWaalsContact O-CA 3.3Å; G1212-G1236 WeakPolarHBondContact O-CA 3.32Å |
| 1213 | S | 74.3 | Confident | 81.9 | Confident | 26 Ų | 26 | 29.9 Ų | 29.9 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.5 | -164.2 | 73.5 | 0 | 0 | 0 | 0 | 116.5 | S1215 S1254 | S1213-S1215 PolarHBondContact O-N 2.89Å; S1213-S1215 VanDerWaalsContact OG-CB 3.24Å; S1213-S1215 WeakPolarHBondContact OG-CB 3.47Å; S1213-S1215 PolarHBondContact OG-N 2.95Å; S1213-S1215 PolarHBondContact OG-OG 3.48Å; S1213-S1254 WeakPolarHBondContact CB-OG 3.36Å; S1213-S1254 PolarHBondContact OG-OG 3.3Å |
| 1214 | G | 72.4 | Confident | 80.2 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | trans | 65.9 | 1.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1216 Y1217 | G1214-R1216 PolarHBondContact O-N 3.16Å; G1214-Y1217 WeakPolarHBondContact O-CD2 3.38Å; G1214-Y1217 PolarHBondContact O-N 3.45Å | ||
| 1215 | S | 71 | Confident | 78.7 | Confident | 35 Ų | 35 | 31.8 Ų | 31.8 | 25% | 0.245 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.1 | -22 | -175.5 | 51.2 | 0 | 0 | 0 | 0 | 115.6 | S1213 Y1217 I1218 K1219 S1254 | S1213-S1215 PolarHBondContact O-N 2.89Å; S1213-S1215 VanDerWaalsContact OG-CB 3.24Å; S1213-S1215 WeakPolarHBondContact OG-CB 3.47Å; S1213-S1215 PolarHBondContact OG-N 2.95Å; S1213-S1215 PolarHBondContact OG-OG 3.48Å; S1215-Y1217 PolarHBondContact O-N 3.09Å; S1215-I1218 VanDerWaalsContact O-CG2 3.32Å; S1215-I1218 WeakPolarHBondContact O-CG2 3.28Å; S1215-K1219 WeakPolarHBondContact O-CG 3.34Å; S1215-K1219 PolarHBondContact O-N 2.79Å; S1215-S1254 WeakPolarHBondContact CB-OG 3.34Å |
| 1216 | R | 77.7 | Confident | 77.6 | Confident | 119 Ų | 119 | 33.1 Ų | 33.1 | 45% | 0.449 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.8 | -29.1 | 176.4 | 73.3 | -178.7 | 82.1 | 178.2 | 3.9 | 112.5 | D1191 G1214 I1220 | D1191-R1216 IonicContact OD1-NH1 3.53Å; D1191-R1216 IonicContact OD2-NH1 2.75Å; D1191-R1216 PolarHBondContact OD2-NH1 3.5Å; G1214-R1216 PolarHBondContact O-N 3.16Å; R1216-I1220 WeakPolarHBondContact O-CG1 3.35Å |
| 1217 | Y | 81.5 | Confident | 77 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -80.7 | -40.3 | -176.2 | -51.8 | -55.1 | 0 | 0 | 0 | 112 | D1191 P1192 I1197 F1206 Y1208 G1214 S1215 K1219 I1220 | D1191-Y1217 WeakPolarHBondContact OD1-CE1 3.35Å; D1191-Y1217 PolarHBondContact OD1-OH 2.57Å; P1192-Y1217 HydrophobicContact CG-CD1 4.04Å; P1192-Y1217 HydrophobicContact CG-CE1 3.71Å; I1197-Y1217 HydrophobicContact CD1-CD1 3.55Å; I1197-Y1217 HydrophobicContact CD1-CE1 4.33Å; I1197-Y1217 HydrophobicContact CD1-CG 3.76Å; I1197-Y1217 HydrophobicContact CG1-CD1 3.86Å; I1197-Y1217 HydrophobicContact CG1-CG 4.39Å; I1197-Y1217 WeakPolarHBondContact CG2-O 3.46Å; F1206-Y1217 HydrophobicContact CZ-CD2 4.32Å; Y1208-Y1217 HydrophobicContact CD2-CD2 4.35Å; Y1208-Y1217 AromaticContact CD2-CE2 3.55Å; Y1208-Y1217 HydrophobicContact CD2-CE2 3.55Å; Y1208-Y1217 AromaticContact CE2-CE2 3.49Å; Y1208-Y1217 HydrophobicContact CE2-CE2 3.49Å; Y1208-Y1217 VanDerWaalsContact CE2-CE2 3.49Å; Y1208-Y1217 HydrophobicContact CG-CE2 4.39Å; G1214-Y1217 WeakPolarHBondContact O-CD2 3.38Å; G1214-Y1217 PolarHBondContact O-N 3.45Å; S1215-Y1217 PolarHBondContact O-N 3.09Å; Y1217-K1219 VanDerWaalsContact C-N 3.33Å; Y1217-K1219 PolarHBondContact O-N 2.64Å; Y1217-I1220 WeakPolarHBondContact O-CB 3.4Å; Y1217-I1220 PolarHBondContact O-N 2.94Å |
| 1218 | I | 79.7 | Confident | 76.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.2 | -36.5 | 176.4 | -169.5 | 56.7 | 0 | 0 | 0 | 112.1 | L1201 S1215 I1220 V1221 E1222 Y1258 A1261 | L1201-I1218 HydrophobicContact CD1-CD1 4.01Å; S1215-I1218 VanDerWaalsContact O-CG2 3.32Å; S1215-I1218 WeakPolarHBondContact O-CG2 3.28Å; I1218-I1220 PolarHBondContact O-N 3.19Å; I1218-I1220 VanDerWaalsContact O-N 3.16Å; I1218-V1221 HydrophobicContact CD1-CB 4.41Å; I1218-V1221 PolarHBondContact O-N 3.14Å; I1218-E1222 HydrophobicContact CG1-CG 4.28Å; I1218-E1222 WeakPolarHBondContact O-CG 3.28Å; I1218-E1222 PolarHBondContact O-N 3.13Å; I1218-Y1258 HydrophobicContact CB-CD1 4.18Å; I1218-Y1258 HydrophobicContact CB-CD2 4.17Å; I1218-Y1258 HydrophobicContact CB-CE1 3.85Å; I1218-Y1258 HydrophobicContact CB-CE2 3.83Å; I1218-Y1258 HydrophobicContact CB-CG 4.33Å; I1218-Y1258 HydrophobicContact CD1-CD1 3.63Å; I1218-Y1258 HydrophobicContact CD1-CE1 3.83Å; I1218-Y1258 HydrophobicContact CD1-CG 4.18Å; I1218-Y1258 HydrophobicContact CG1-CD1 3.93Å; I1218-Y1258 HydrophobicContact CG1-CD2 4.27Å; I1218-Y1258 HydrophobicContact CG1-CE1 4.09Å; I1218-Y1258 HydrophobicContact CG1-CE2 4.41Å; I1218-Y1258 HydrophobicContact CG1-CG 4.02Å; I1218-Y1258 HydrophobicContact CG2-CD2 4.23Å; I1218-Y1258 HydrophobicContact CG2-CE2 3.91Å; I1218-A1261 HydrophobicContact CD1-CB 3.75Å |
| 1219 | K | 73.5 | Confident | 76.5 | Confident | 109 Ų | 109 | 38.7 Ų | 38.7 | 47% | 0.474 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.5 | -31.2 | 175.9 | -75.5 | -179.1 | 179 | -170.4 | 0 | 113.6 | S1215 Y1217 S1223 | S1215-K1219 WeakPolarHBondContact O-CG 3.34Å; S1215-K1219 PolarHBondContact O-N 2.79Å; Y1217-K1219 VanDerWaalsContact C-N 3.33Å; Y1217-K1219 PolarHBondContact O-N 2.64Å; K1219-S1223 WeakPolarHBondContact O-CB 3.41Å; K1219-S1223 PolarHBondContact O-N 2.64Å; K1219-S1223 PolarHBondContact O-OG 2.86Å |
| 1220 | I | 64.6 | Low | 76.4 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 18% | 0.179 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.2 | -43.1 | 175.5 | -64.3 | 167.4 | 0 | 0 | 0 | 109.5 | I1194 I1197 R1216 Y1217 I1218 S1223 H1224 | I1194-I1220 HydrophobicContact CB-CG2 4.19Å; I1194-I1220 HydrophobicContact CG1-CD1 4.39Å; I1194-I1220 HydrophobicContact CG1-CG2 4.06Å; I1194-I1220 HydrophobicContact CG2-CG2 3.68Å; I1197-I1220 HydrophobicContact CG1-CD1 4.45Å; I1197-I1220 HydrophobicContact CG2-CB 4.34Å; I1197-I1220 HydrophobicContact CG2-CG2 4.42Å; R1216-I1220 WeakPolarHBondContact O-CG1 3.35Å; Y1217-I1220 WeakPolarHBondContact O-CB 3.4Å; Y1217-I1220 PolarHBondContact O-N 2.94Å; I1218-I1220 PolarHBondContact O-N 3.19Å; I1218-I1220 VanDerWaalsContact O-N 3.16Å; I1220-S1223 PolarHBondContact O-N 3.49Å; I1220-S1223 PolarHBondContact O-OG 3.41Å; I1220-H1224 PolarHBondContact O-N 3.18Å; I1220-H1224 PolarHBondContact O-ND1 2.97Å |
| 1221 | V | 67.4 | Low | 76.6 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.3 | -41.3 | 179.4 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | I1197 L1201 I1218 S1223 H1224 G1225 D1226 | I1197-V1221 HydrophobicContact CG2-CG2 3.98Å; L1201-V1221 HydrophobicContact CB-CG2 4.41Å; L1201-V1221 HydrophobicContact CD1-CB 4.08Å; L1201-V1221 HydrophobicContact CD1-CG1 4.34Å; L1201-V1221 HydrophobicContact CD1-CG2 3.48Å; L1201-V1221 VanDerWaalsContact CD1-CG2 3.48Å; L1201-V1221 HydrophobicContact CG-CG2 4.19Å; I1218-V1221 HydrophobicContact CD1-CB 4.41Å; I1218-V1221 PolarHBondContact O-N 3.14Å; V1221-S1223 VanDerWaalsContact C-N 3.34Å; V1221-S1223 PolarHBondContact O-N 3.41Å; V1221-H1224 PolarHBondContact O-N 3.24Å; V1221-G1225 PolarHBondContact O-N 3.02Å; V1221-D1226 HydrophobicContact CB-CB 4.37Å; V1221-D1226 HydrophobicContact CG1-CB 3.47Å; V1221-D1226 VanDerWaalsContact CG1-CB 3.47Å; V1221-D1226 PolarHBondContact O-N 3.41Å; V1221-D1226 VanDerWaalsContact O-N 3.11Å |
| 1222 | E | 67 | Low | 77.1 | Confident | 15 Ų | 15 | 34.6 Ų | 34.6 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 174.6 | -68.3 | -179.5 | 135.8 | 0 | 0 | 112.8 | I1218 H1224 G1225 Y1257 | I1218-E1222 HydrophobicContact CG1-CG 4.28Å; I1218-E1222 WeakPolarHBondContact O-CG 3.28Å; I1218-E1222 PolarHBondContact O-N 3.13Å; E1222-H1224 PolarHBondContact O-N 2.93Å; E1222-G1225 PolarHBondContact O-N 2.86Å; E1222-Y1257 WeakPolarHBondContact OE1-CA 3.49Å; E1222-Y1257 VanDerWaalsContact OE1-CB 3.23Å; E1222-Y1257 WeakPolarHBondContact OE1-CB 3.47Å; E1222-Y1257 WeakPolarHBondContact OE1-CD1 3.48Å |
| 1223 | S | 58.9 | Low | 78 | Confident | 80 Ų | 80 | 32.9 Ų | 32.9 | 56% | 0.559 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -71.6 | -16.4 | -179.8 | 70.5 | 0 | 0 | 0 | 0 | 113.8 | K1219 I1220 V1221 | K1219-S1223 WeakPolarHBondContact O-CB 3.41Å; K1219-S1223 PolarHBondContact O-N 2.64Å; K1219-S1223 PolarHBondContact O-OG 2.86Å; I1220-S1223 PolarHBondContact O-N 3.49Å; I1220-S1223 PolarHBondContact O-OG 3.41Å; V1221-S1223 VanDerWaalsContact C-N 3.34Å; V1221-S1223 PolarHBondContact O-N 3.41Å |
| 1224 | H | 57.9 | Low | 79 | Confident | 87 Ų | 87 | 31.6 Ų | 31.6 | 40% | 0.403 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 7.6 | 179.2 | -64.5 | 83.4 | 0 | 0 | 0 | 112.7 | I1220 V1221 E1222 D1226 | I1220-H1224 PolarHBondContact O-N 3.18Å; I1220-H1224 PolarHBondContact O-ND1 2.97Å; V1221-H1224 PolarHBondContact O-N 3.24Å; E1222-H1224 PolarHBondContact O-N 2.93Å; H1224-D1226 PolarHBondContact O-N 3.24Å |
| 1225 | G | 65 | Low | 80.1 | Confident | 27 Ų | 27 | 32 Ų | 32 | 28% | 0.278 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 12.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y908 V1221 E1222 | Y908-G1225 WeakPolarHBondContact CE1-O 3.27Å; V1221-G1225 PolarHBondContact O-N 3.02Å; E1222-G1225 PolarHBondContact O-N 2.86Å |
| 1226 | D | 74.4 | Confident | 81 | Confident | 28 Ų | 28 | 30.6 Ų | 30.6 | 15% | 0.15 | 15% | 0.153 | C | C | . | . | trans | -78.8 | 164.3 | -177.9 | -78.2 | -35.1 | 0 | 0 | 0 | 112.1 | R1198 V1221 H1224 | R1198-D1226 IonicContact CZ-OD2 2.74Å; R1198-D1226 IonicContact NE-OD2 2.88Å; R1198-D1226 PolarHBondContact NE-OD2 3.33Å; R1198-D1226 IonicContact NH2-OD1 2.95Å; R1198-D1226 PolarHBondContact NH2-OD1 3.18Å; R1198-D1226 IonicContact NH2-OD2 3.35Å; R1198-D1226 PolarHBondContact NH2-OD2 3.29Å; V1221-D1226 HydrophobicContact CB-CB 4.37Å; V1221-D1226 HydrophobicContact CG1-CB 3.47Å; V1221-D1226 VanDerWaalsContact CG1-CB 3.47Å; V1221-D1226 PolarHBondContact O-N 3.41Å; V1221-D1226 VanDerWaalsContact O-N 3.11Å; H1224-D1226 PolarHBondContact O-N 3.24Å | ||
| 1227 | R | 84.7 | Confident | 81.5 | Confident | 47 Ų | 47 | 26.8 Ų | 26.8 | 18% | 0.177 | 14% | 0.144 | C | C | . | . | trans | -106.9 | 154 | 171.5 | -62.7 | -64.8 | -177.1 | -120.5 | -7 | 111.4 | Y908 Q1262 | Y908-R1227 VanDerWaalsContact CD1-NH1 3.29Å; Y908-R1227 VanDerWaalsContact CD1-NH2 3.3Å; Y908-R1227 PolarHBondContact OH-NH1 2.95Å; R1227-Q1262 VanDerWaalsContact NE-OE1 3.13Å | ||
| 1228 | C | 91.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -96.7 | 108.1 | 173.5 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | L1201 A1261 Q1262 C1263 | L1201-C1228 HydrophobicContact CD1-CB 4.42Å; C1228-A1261 HydrophobicContact CB-CB 4.01Å; C1228-A1261 PolarHBondContact N-O 2.95Å; C1228-Q1262 CarbonylContact O-C 3.46Å; C1228-C1263 HydrophobicContact CB-CB 3.97Å; C1228-C1263 WeakPolarHBondContact O-CA 2.99Å | ||
| 1229 | H | 91.7 | Very high | 82.4 | Confident | 71 Ų | 71 | 27.8 Ų | 27.8 | 33% | 0.329 | 15% | 0.151 | S | C | . | . | trans | -87.2 | -20.6 | 173.6 | -62.3 | 160.8 | 0 | 0 | 0 | 112.6 | W1147 L1201 K1203 P1264 | W1147-H1229 HydrophobicContact CH2-CB 4.37Å; W1147-H1229 WeakPolarHBondContact CH2-O 3.46Å; L1201-H1229 PolarHBondContact O-N 2.95Å; K1203-H1229 CarbonylContact O-C 3.59Å; H1229-P1264 WeakPolarHBondContact O-CG 3.46Å | ||
| 1230 | A | 94.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -71.9 | 141.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1201 K1203 F1206 V1232 C1263 P1264 | L1201-A1230 PolarHBondContact O-N 3.42Å; L1201-A1230 VanDerWaalsContact O-N 3.08Å; K1203-A1230 WeakPolarHBondContact O-CA 3.24Å; K1203-A1230 VanDerWaalsContact O-CB 3.29Å; K1203-A1230 WeakPolarHBondContact O-CB 3.39Å; K1203-A1230 PolarHBondContact O-N 3.46Å; F1206-A1230 HydrophobicContact CB-CB 3.85Å; A1230-V1232 HydrophobicContact CB-CG2 4.41Å; A1230-C1263 PolarHBondContact O-SG 3.03Å; A1230-P1264 WeakPolarHBondContact O-CD 3.36Å |
| 1231 | I | 96.6 | Very high | 84.1 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 131.5 | 154 | -69.9 | 79.3 | 0 | 0 | 0 | 107.4 | P1151 V1153 D1204 L1205 F1206 L1233 P1264 N1265 W1289 L1317 V1345 | P1151-I1231 HydrophobicContact CB-CD1 4.45Å; V1153-I1231 HydrophobicContact CG2-CB 4.32Å; V1153-I1231 HydrophobicContact CG2-CD1 3.63Å; V1153-I1231 HydrophobicContact CG2-CG1 4.08Å; D1204-I1231 VanDerWaalsContact O-CD1 3.31Å; D1204-I1231 WeakPolarHBondContact O-CD1 3.45Å; D1204-I1231 PolarHBondContact O-N 3.45Å; L1205-I1231 CarbonylContact C-O 3.47Å; L1205-I1231 WeakPolarHBondContact CA-O 3.41Å; L1205-I1231 HydrophobicContact CD1-CB 4.28Å; L1205-I1231 HydrophobicContact CD1-CG2 4.13Å; F1206-I1231 PolarHBondContact N-O 3.45Å; I1231-L1233 HydrophobicContact CG2-CD2 4.46Å; I1231-P1264 HydrophobicContact CD1-CB 4.34Å; I1231-P1264 HydrophobicContact CD1-CG 3.61Å; I1231-P1264 HydrophobicContact CG1-CB 4.49Å; I1231-P1264 HydrophobicContact CG1-CG 3.9Å; I1231-N1265 CarbonylContact C-O 3.59Å; I1231-N1265 WeakPolarHBondContact CA-O 3.16Å; I1231-N1265 HydrophobicContact CG1-CB 4.26Å; I1231-N1265 HydrophobicContact CG2-CB 4.26Å; I1231-W1289 HydrophobicContact CG2-CH2 4.46Å; I1231-L1317 HydrophobicContact CG2-CD2 4.15Å; I1231-V1345 HydrophobicContact CD1-CG1 4.08Å; I1231-V1345 HydrophobicContact CD1-CG2 4.47Å; I1231-V1345 HydrophobicContact CG1-CB 4.46Å; I1231-V1345 HydrophobicContact CG1-CG1 3.84Å; I1231-V1345 HydrophobicContact CG1-CG2 3.87Å |
| 1232 | V | 96.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.3 | -168.8 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | L1201 F1206 A1230 L1234 Y1258 N1265 V1266 V1267 | L1201-V1232 HydrophobicContact CD2-CG2 4.36Å; F1206-V1232 HydrophobicContact CB-CG2 4.24Å; F1206-V1232 HydrophobicContact CD1-CG1 3.99Å; F1206-V1232 HydrophobicContact CD1-CG2 4.18Å; F1206-V1232 CarbonylContact O-C 3.42Å; F1206-V1232 WeakPolarHBondContact O-CA 3.45Å; A1230-V1232 HydrophobicContact CB-CG2 4.41Å; V1232-L1234 HydrophobicContact CG1-CD1 4.33Å; V1232-L1234 HydrophobicContact CG1-CD2 3.49Å; V1232-L1234 VanDerWaalsContact CG1-CD2 3.49Å; V1232-L1234 HydrophobicContact CG1-CG 3.64Å; V1232-Y1258 HydrophobicContact CB-CD1 4.43Å; V1232-Y1258 HydrophobicContact CB-CE1 4.33Å; V1232-Y1258 HydrophobicContact CG1-CD1 4.32Å; V1232-Y1258 HydrophobicContact CG1-CE1 3.89Å; V1232-Y1258 HydrophobicContact CG1-CE2 4.49Å; V1232-Y1258 HydrophobicContact CG2-CD1 3.88Å; V1232-Y1258 HydrophobicContact CG2-CE1 3.74Å; V1232-N1265 PolarHBondContact N-O 3.14Å; V1232-V1266 HydrophobicContact CB-CG1 4.34Å; V1232-V1266 HydrophobicContact CB-CG2 4.36Å; V1232-V1266 HydrophobicContact CG1-CG1 4.16Å; V1232-V1266 CarbonylContact O-C 3.52Å; V1232-V1266 VanDerWaalsContact O-CA 3.28Å; V1232-V1266 WeakPolarHBondContact O-CA 3.29Å; V1232-V1267 PolarHBondContact O-N 3.19Å |
| 1233 | L | 97.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 102.5 | 173.6 | -52.4 | -173.5 | 0 | 0 | 0 | 109.6 | L1205 F1206 V1207 Y1208 I1231 M1235 V1267 L1282 L1285 L1286 | L1205-L1233 HydrophobicContact CD1-CD1 4.06Å; L1205-L1233 HydrophobicContact CD1-CG 3.91Å; F1206-L1233 PolarHBondContact O-N 2.94Å; V1207-L1233 HydrophobicContact CG1-CB 4.31Å; V1207-L1233 HydrophobicContact CG2-CB 4.3Å; V1207-L1233 HydrophobicContact CG2-CD1 3.96Å; V1207-L1233 HydrophobicContact CG2-CG 4.29Å; Y1208-L1233 PolarHBondContact N-O 3.25Å; I1231-L1233 HydrophobicContact CG2-CD2 4.46Å; L1233-M1235 HydrophobicContact CB-CE 3.89Å; L1233-M1235 PolarHBondContact O-N 2.97Å; L1233-V1267 HydrophobicContact CD2-CB 3.55Å; L1233-V1267 HydrophobicContact CD2-CG1 4.46Å; L1233-V1267 HydrophobicContact CD2-CG2 3.46Å; L1233-V1267 VanDerWaalsContact CD2-CG2 3.46Å; L1233-L1282 HydrophobicContact CD1-CD1 4Å; L1233-L1285 HydrophobicContact CD1-CD2 4.41Å; L1233-L1286 HydrophobicContact CD1-CD2 3.96Å |
| 1234 | L | 95.8 | Very high | 84 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 83.3 | 180 | -58.1 | 176.3 | 0 | 0 | 0 | 111.6 | Y1208 V1232 G1236 S1239 Y1258 V1266 V1267 A1268 L1269 | Y1208-L1234 HydrophobicContact CD1-CD2 4.47Å; V1232-L1234 HydrophobicContact CG1-CD1 4.33Å; V1232-L1234 HydrophobicContact CG1-CD2 3.49Å; V1232-L1234 VanDerWaalsContact CG1-CD2 3.49Å; V1232-L1234 HydrophobicContact CG1-CG 3.64Å; L1234-G1236 PolarHBondContact O-N 2.97Å; L1234-S1239 PolarHBondContact O-OG 3.04Å; L1234-Y1258 HydrophobicContact CD1-CD2 4.21Å; L1234-Y1258 HydrophobicContact CD1-CE2 3.79Å; L1234-Y1258 HydrophobicContact CD2-CE2 4.22Å; L1234-V1266 HydrophobicContact CD1-CG1 3.82Å; L1234-V1266 HydrophobicContact CG-CG1 4.17Å; L1234-V1267 PolarHBondContact N-O 2.87Å; L1234-A1268 HydrophobicContact CB-CB 4.39Å; L1234-A1268 HydrophobicContact CD1-CB 4.47Å; L1234-L1269 WeakPolarHBondContact O-CD1 3.45Å |
| 1235 | M | 95.1 | Very high | 83.3 | Confident | 13 Ų | 13 | 26.9 Ų | 26.9 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 57.1 | 178.2 | -55.6 | -58.2 | 114.8 | 0 | 0 | 111.6 | Y1208 L1233 V1267 L1269 T1278 M1281 L1282 | Y1208-M1235 WeakPolarHBondContact O-CA 3.3Å; Y1208-M1235 VanDerWaalsContact O-CB 3.26Å; Y1208-M1235 WeakPolarHBondContact O-CB 3.47Å; Y1208-M1235 PolarHBondContact O-N 3.32Å; L1233-M1235 HydrophobicContact CB-CE 3.89Å; L1233-M1235 PolarHBondContact O-N 2.97Å; M1235-V1267 HydrophobicContact CE-CB 4.36Å; M1235-V1267 HydrophobicContact CE-CG1 3.92Å; M1235-L1269 HydrophobicContact CE-CD1 4.36Å; M1235-L1269 HydrophobicContact SD-CD1 4.23Å; M1235-T1278 HydrophobicContact CB-CG2 4.05Å; M1235-T1278 HydrophobicContact CG-CG2 4.47Å; M1235-T1278 HydrophobicContact SD-CG2 3.97Å; M1235-M1281 HydrophobicContact SD-CE 3.64Å; M1235-L1282 HydrophobicContact CG-CB 4.32Å; M1235-L1282 HydrophobicContact CG-CD1 3.91Å; M1235-L1282 HydrophobicContact CG-CD2 3.74Å; M1235-L1282 HydrophobicContact CG-CG 4.19Å; M1235-L1282 HydrophobicContact SD-CB 4.33Å; M1235-L1282 HydrophobicContact SD-CD1 4.17Å |
| 1236 | G | 88.9 | Confident | 82.2 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -132.9 | 147.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G1210 G1212 L1234 S1238 S1239 | G1210-G1236 WeakPolarHBondContact O-CA 3.41Å; G1212-G1236 CarbonylContact O-C 3.52Å; G1212-G1236 VanDerWaalsContact O-CA 3.3Å; G1212-G1236 WeakPolarHBondContact O-CA 3.32Å; L1234-G1236 PolarHBondContact O-N 2.97Å; G1236-S1238 PolarHBondContact O-N 3.29Å; G1236-S1239 VanDerWaalsContact O-CB 3.25Å; G1236-S1239 WeakPolarHBondContact O-CB 2.84Å; G1236-S1239 PolarHBondContact O-N 3.49Å; G1236-S1239 PolarHBondContact O-OG 3.39Å |
| 1237 | C | 89.1 | Confident | 80.7 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 26% | 0.264 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 136.8 | -176.9 | -69.3 | 0 | 0 | 0 | 0 | 112 | S1239 D1272 V1273 | C1237-S1239 PolarHBondContact O-N 3.1Å; C1237-D1272 HydrophobicContact CB-CB 4.35Å; C1237-D1272 WeakPolarHBondContact CB-OD1 3.31Å; C1237-V1273 PolarHBondContact SG-N 3.21Å; C1237-V1273 PolarHBondContact SG-O 2.87Å |
| 1238 | S | 88 | Confident | 78.5 | Confident | 25 Ų | 25 | 35.8 Ų | 35.8 | 18% | 0.175 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 23 | 177.9 | -62.2 | 0 | 0 | 0 | 0 | 114.4 | G1236 G1240 R1241 L1269 W1271 D1272 | G1236-S1238 PolarHBondContact O-N 3.29Å; S1238-G1240 VanDerWaalsContact C-N 3.27Å; S1238-G1240 PolarHBondContact O-N 3.33Å; S1238-R1241 VanDerWaalsContact O-CB 3.3Å; S1238-R1241 WeakPolarHBondContact O-CB 3.37Å; S1238-R1241 PolarHBondContact O-N 2.85Å; S1238-L1269 CarbonylContact C-O 3.4Å; S1238-L1269 WeakPolarHBondContact CA-O 3.21Å; S1238-W1271 PolarHBondContact N-O 2.74Å; S1238-W1271 WeakPolarHBondContact OG-CA 3.22Å; S1238-D1272 PolarHBondContact OG-N 3.43Å; S1238-D1272 PolarHBondContact OG-OD1 3.25Å |
| 1239 | S | 91.4 | Very high | 76.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -31.4 | -180 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | L1234 G1236 C1237 A1268 L1269 | L1234-S1239 PolarHBondContact O-OG 3.04Å; G1236-S1239 VanDerWaalsContact O-CB 3.25Å; G1236-S1239 WeakPolarHBondContact O-CB 2.84Å; G1236-S1239 PolarHBondContact O-N 3.49Å; G1236-S1239 PolarHBondContact O-OG 3.39Å; C1237-S1239 PolarHBondContact O-N 3.1Å; S1239-A1268 WeakPolarHBondContact OG-CA 3.43Å; S1239-A1268 WeakPolarHBondContact OG-CB 3.16Å; S1239-L1269 PolarHBondContact N-O 3.31Å; S1239-L1269 VanDerWaalsContact N-O 3.08Å; S1239-L1269 PolarHBondContact OG-N 3.4Å |
| 1240 | G | 88.2 | Confident | 74.9 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -0.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1238 L1242 A1268 L1269 Y1341 | S1238-G1240 VanDerWaalsContact C-N 3.27Å; S1238-G1240 PolarHBondContact O-N 3.33Å; G1240-L1242 PolarHBondContact O-N 3.24Å; G1240-A1268 VanDerWaalsContact CA-CB 3.44Å; G1240-L1269 WeakPolarHBondContact CA-O 3.28Å; G1240-L1269 PolarHBondContact N-O 2.08Å; G1240-Y1341 PolarHBondContact O-OH 2.78Å |
| 1241 | R | 86.1 | Confident | 73.6 | Confident | 69 Ų | 69 | 39.1 Ų | 39.1 | 26% | 0.26 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -66.8 | 121.8 | 178.1 | -168 | 168.2 | -173.8 | 140.1 | 5.1 | 109.4 | D984 M1117 S1238 L1270 | D984-R1241 IonicContact OD1-NH1 3.79Å; D984-R1241 IonicContact OD2-CZ 3.26Å; D984-R1241 VanDerWaalsContact OD2-CZ 3.27Å; D984-R1241 IonicContact OD2-NH1 2.74Å; D984-R1241 PolarHBondContact OD2-NH1 3.26Å; D984-R1241 IonicContact OD2-NH2 3.21Å; D984-R1241 PolarHBondContact OD2-NH2 3.46Å; M1117-R1241 HydrophobicContact CE-CB 4.42Å; M1117-R1241 HydrophobicContact CE-CG 3.79Å; M1117-R1241 HydrophobicContact SD-CG 3.99Å; S1238-R1241 VanDerWaalsContact O-CB 3.3Å; S1238-R1241 WeakPolarHBondContact O-CB 3.37Å; S1238-R1241 PolarHBondContact O-N 2.85Å; R1241-L1270 WeakPolarHBondContact CB-O 3.39Å |
| 1242 | L | 76.4 | Confident | 72.5 | Confident | 19 Ų | 19 | 40.6 Ų | 40.6 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -87.1 | 128.5 | 167.2 | -50 | -178 | 0 | 0 | 0 | 107.2 | C1116 G1240 P1251 | C1116-L1242 HydrophobicContact CB-CD1 3.95Å; G1240-L1242 PolarHBondContact O-N 3.24Å; L1242-P1251 HydrophobicContact CB-CB 3.6Å; L1242-P1251 HydrophobicContact CB-CG 4.1Å; L1242-P1251 HydrophobicContact CD1-CG 4.32Å |
| 1243 | L | 63.8 | Low | 71.6 | Confident | 95 Ų | 95 | 41 Ų | 41 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -62.4 | 129 | -174.2 | -73.1 | 172.1 | 0 | 0 | 0 | 109.3 | P1251 I1252 | L1243-P1251 WeakPolarHBondContact O-CA 3.34Å; L1243-P1251 WeakPolarHBondContact O-CB 3.39Å; L1243-I1252 PolarHBondContact N-O 3Å |
| 1244 | P | 51.6 | Low | 70.8 | Confident | 90 Ų | 90 | 41.6 Ų | 41.6 | 58% | 0.584 | 21% | 0.212 | S | C | * | . | P | Polyproline II helix | trans | -56.1 | 121.7 | 179.9 | 21.7 | -30.8 | 0 | 0 | 0 | 107.7 | ||
| 1245 | P | 43 | Very low | 70.4 | Confident | 34 Ų | 34 | 41.6 Ų | 41.6 | 22% | 0.221 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 163.7 | -173.5 | 33.1 | -31.5 | 0 | 0 | 0 | 109 | K1113 Y1249 P1251 | K1113-P1245 HydrophobicContact CD-CG 4.22Å; K1113-P1245 HydrophobicContact CG-CG 3.94Å; P1245-Y1249 VanDerWaalsContact CB-C 3.47Å; P1245-Y1249 WeakPolarHBondContact CB-O 3.26Å; P1245-Y1249 VanDerWaalsContact CG-O 3.29Å; P1245-Y1249 WeakPolarHBondContact CG-O 3.39Å; P1245-P1251 HydrophobicContact CG-CB 4.32Å |
| 1246 | G | 41.9 | Very low | 70 | Confident | 13 Ų | 13 | 41.1 Ų | 41.1 | 13% | 0.134 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -56 | 169.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | K1113 L1248 Y1249 | K1113-G1246 PolarHBondContact NZ-O 3.17Å; G1246-L1248 PolarHBondContact O-N 3.27Å; G1246-Y1249 PolarHBondContact O-N 2.99Å |
| 1247 | R | 42.2 | Very low | 69.8 | Low | 201 Ų | 201 | 43.6 Ų | 43.6 | 76% | 0.758 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -52.7 | -22.8 | 175 | -77 | -171.8 | 179.1 | -168.1 | -2.4 | 114.1 | K1113 | K1113-R1247 PolarHBondContact NZ-O 2.64Š|
| 1248 | L | 38.3 | Very low | 69.8 | Low | 76 Ų | 76 | 41.7 Ų | 41.7 | 40% | 0.398 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -101.9 | -31.4 | -173.9 | -63.8 | 173.9 | 0 | 0 | 0 | 115.7 | P613 P862 G1246 | P613-L1248 VanDerWaalsContact O-CD1 3.24Å; P613-L1248 WeakPolarHBondContact O-CD1 2.82Å; P862-L1248 HydrophobicContact CB-CD2 4.17Å; P862-L1248 HydrophobicContact CG-CB 4.33Å; P862-L1248 HydrophobicContact CG-CD2 3.99Å; G1246-L1248 PolarHBondContact O-N 3.27Å |
| 1249 | Y | 46.7 | Very low | 69.9 | Low | 103 Ų | 103 | 40.6 Ų | 40.6 | 40% | 0.404 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -96 | 170.1 | -174.6 | -64.2 | -74.4 | 0 | 0 | 0 | 111.5 | K1113 P1245 G1246 | K1113-Y1249 WeakPolarHBondContact CD-O 3.26Å; K1113-Y1249 WeakPolarHBondContact CE-O 3.38Å; K1113-Y1249 PolarHBondContact NZ-O 3.48Å; P1245-Y1249 VanDerWaalsContact CB-C 3.47Å; P1245-Y1249 WeakPolarHBondContact CB-O 3.26Å; P1245-Y1249 VanDerWaalsContact CG-O 3.29Å; P1245-Y1249 WeakPolarHBondContact CG-O 3.39Å; G1246-Y1249 PolarHBondContact O-N 2.99Å |
| 1250 | E | 61.7 | Low | 69.6 | Low | 28 Ų | 28 | 41.4 Ų | 41.4 | 13% | 0.131 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -98.7 | 156.6 | 171.6 | -68.3 | 165.8 | 156.8 | 0 | 0 | 110.3 | A892 V893 A894 K1113 I1252 | A892-E1250 VanDerWaalsContact C-CD 3.42Å; A892-E1250 WeakPolarHBondContact CA-OE1 3.42Å; A892-E1250 WeakPolarHBondContact CA-OE2 3.27Å; A892-E1250 PolarHBondContact N-OE1 3.07Å; V893-E1250 PolarHBondContact N-OE1 2.94Å; V893-E1250 PolarHBondContact N-OE2 3.46Å; A894-E1250 HydrophobicContact CB-CB 4.1Å; A894-E1250 HydrophobicContact CB-CG 4.43Å; A894-E1250 PolarHBondContact N-OE2 2.8Å; K1113-E1250 HydrophobicContact CB-CG 4.28Å; K1113-E1250 HydrophobicContact CD-CG 4.44Å; K1113-E1250 HydrophobicContact CG-CG 4.33Å; E1250-I1252 PolarHBondContact O-N 2.93Å |
| 1251 | P | 67 | Low | 69.6 | Low | 10 Ų | 10 | 41.4 Ų | 41.4 | 7% | 0.065 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 126.1 | -174.8 | 29.8 | -32.5 | 0 | 0 | 0 | 110.5 | C1116 L1242 L1243 P1245 | C1116-P1251 HydrophobicContact CB-CG 4.31Å; C1116-P1251 WeakPolarHBondContact SG-CG 3.38Å; L1242-P1251 HydrophobicContact CB-CB 3.6Å; L1242-P1251 HydrophobicContact CB-CG 4.1Å; L1242-P1251 HydrophobicContact CD1-CG 4.32Å; L1243-P1251 WeakPolarHBondContact O-CA 3.34Å; L1243-P1251 WeakPolarHBondContact O-CB 3.39Å; P1245-P1251 HydrophobicContact CG-CB 4.32Å |
| 1252 | I | 72.5 | Confident | 69.8 | Low | 32 Ų | 32 | 38.3 Ų | 38.3 | 16% | 0.164 | 19% | 0.19 | C | C | . | . | trans | -108.2 | 140.1 | 174.3 | -62 | 171.7 | 0 | 0 | 0 | 108.1 | L898 L1243 E1250 T1256 Y1257 | L898-I1252 HydrophobicContact CD2-CD1 4.16Å; L1243-I1252 PolarHBondContact N-O 3Å; E1250-I1252 PolarHBondContact O-N 2.93Å; I1252-T1256 HydrophobicContact CG2-CG2 4.25Å; I1252-Y1257 HydrophobicContact CG2-CE1 4.5Å; I1252-Y1257 HydrophobicContact CG2-CE2 4.11Å | ||
| 1253 | G | 78.5 | Confident | 70.6 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 8% | 0.082 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -146.4 | -175.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1255 T1256 Y1257 | G1253-V1255 VanDerWaalsContact C-N 3.25Å; G1253-V1255 PolarHBondContact O-N 3.03Å; G1253-T1256 PolarHBondContact N-OG1 3.23Å; G1253-T1256 VanDerWaalsContact N-OG1 3.16Å; G1253-T1256 VanDerWaalsContact O-CB 3.3Å; G1253-T1256 WeakPolarHBondContact O-CB 3.38Å; G1253-T1256 PolarHBondContact O-N 2.93Å; G1253-T1256 PolarHBondContact O-OG1 3.37Å; G1253-Y1257 VanDerWaalsContact O-CD2 3.25Å; G1253-Y1257 WeakPolarHBondContact O-CD2 3.48Å |
| 1254 | S | 81.8 | Confident | 72.1 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | -176.6 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | S1213 S1215 T1256 Y1257 Y1258 | S1213-S1254 WeakPolarHBondContact CB-OG 3.36Å; S1213-S1254 PolarHBondContact OG-OG 3.3Å; S1215-S1254 WeakPolarHBondContact CB-OG 3.34Å; S1254-T1256 VanDerWaalsContact C-N 3.29Å; S1254-T1256 PolarHBondContact O-N 3.17Å; S1254-Y1257 WeakPolarHBondContact O-CB 2.91Å; S1254-Y1257 PolarHBondContact O-N 3.42Å; S1254-Y1258 VanDerWaalsContact O-CD2 3.31Å; S1254-Y1258 WeakPolarHBondContact O-CD2 3.4Å; S1254-Y1258 PolarHBondContact O-N 3.49Å |
| 1255 | V | 87.5 | Confident | 74.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -36.4 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 112.3 | G1253 Y1257 Y1258 Q1259 V1266 A1268 Y1341 | G1253-V1255 VanDerWaalsContact C-N 3.25Å; G1253-V1255 PolarHBondContact O-N 3.03Å; V1255-Y1257 VanDerWaalsContact C-N 3.29Å; V1255-Y1257 PolarHBondContact O-N 3.33Å; V1255-Y1258 PolarHBondContact O-N 2.65Å; V1255-Q1259 HydrophobicContact CG1-CG 4.24Å; V1255-Q1259 WeakPolarHBondContact O-CG 3.49Å; V1255-Q1259 PolarHBondContact O-N 3.02Å; V1255-V1266 HydrophobicContact CG1-CB 4.35Å; V1255-V1266 HydrophobicContact CG2-CG1 4.11Å; V1255-A1268 HydrophobicContact CG2-CB 3.93Å; V1255-Y1341 VanDerWaalsContact CG1-CB 3.42Å; V1255-Y1341 HydrophobicContact CG1-CD1 3.8Å; V1255-Y1341 HydrophobicContact CG1-CD2 3.86Å; V1255-Y1341 HydrophobicContact CG1-CE1 4.46Å; V1255-Y1341 HydrophobicContact CG1-CG 3.46Å; V1255-Y1341 VanDerWaalsContact CG1-CG 3.46Å; V1255-Y1341 HydrophobicContact CG2-CD2 4.09Å; V1255-Y1341 HydrophobicContact CG2-CE2 4.26Å |
| 1256 | T | 84.9 | Confident | 76.9 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.4 | -43.3 | 178 | -47.7 | 0 | 0 | 0 | 0 | 111 | I1252 G1253 S1254 Q1259 L1260 | I1252-T1256 HydrophobicContact CG2-CG2 4.25Å; G1253-T1256 PolarHBondContact N-OG1 3.23Å; G1253-T1256 VanDerWaalsContact N-OG1 3.16Å; G1253-T1256 VanDerWaalsContact O-CB 3.3Å; G1253-T1256 WeakPolarHBondContact O-CB 3.38Å; G1253-T1256 PolarHBondContact O-N 2.93Å; G1253-T1256 PolarHBondContact O-OG1 3.37Å; S1254-T1256 VanDerWaalsContact C-N 3.29Å; S1254-T1256 PolarHBondContact O-N 3.17Å; T1256-Q1259 PolarHBondContact O-N 3.09Å; T1256-L1260 HydrophobicContact CG2-CD1 4.44Å; T1256-L1260 WeakPolarHBondContact O-CG 3.33Å; T1256-L1260 PolarHBondContact O-N 2.77Å |
| 1257 | Y | 85.3 | Confident | 79.6 | Confident | 56 Ų | 56 | 26.4 Ų | 26.4 | 22% | 0.22 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 177.8 | -62.1 | -62.8 | 0 | 0 | 0 | 112.2 | L898 E1222 I1252 G1253 S1254 V1255 Q1259 L1260 A1261 | L898-Y1257 HydrophobicContact CD2-CE1 4.15Å; E1222-Y1257 WeakPolarHBondContact OE1-CA 3.49Å; E1222-Y1257 VanDerWaalsContact OE1-CB 3.23Å; E1222-Y1257 WeakPolarHBondContact OE1-CB 3.47Å; E1222-Y1257 WeakPolarHBondContact OE1-CD1 3.48Å; I1252-Y1257 HydrophobicContact CG2-CE1 4.5Å; I1252-Y1257 HydrophobicContact CG2-CE2 4.11Å; G1253-Y1257 VanDerWaalsContact O-CD2 3.25Å; G1253-Y1257 WeakPolarHBondContact O-CD2 3.48Å; S1254-Y1257 WeakPolarHBondContact O-CB 2.91Å; S1254-Y1257 PolarHBondContact O-N 3.42Å; V1255-Y1257 VanDerWaalsContact C-N 3.29Å; V1255-Y1257 PolarHBondContact O-N 3.33Å; Y1257-Q1259 VanDerWaalsContact C-N 3.31Å; Y1257-Q1259 PolarHBondContact O-N 3.15Å; Y1257-L1260 PolarHBondContact O-N 3.29Å; Y1257-A1261 PolarHBondContact O-N 3.41Å |
| 1258 | Y | 89.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 173.3 | -80.4 | -78.6 | 0 | 0 | 0 | 112.1 | L1201 I1218 V1232 L1234 S1254 V1255 A1261 Q1262 C1263 V1266 | L1201-Y1258 HydrophobicContact CD1-CE1 4.32Å; L1201-Y1258 HydrophobicContact CD2-CE1 4.46Å; I1218-Y1258 HydrophobicContact CB-CD1 4.18Å; I1218-Y1258 HydrophobicContact CB-CD2 4.17Å; I1218-Y1258 HydrophobicContact CB-CE1 3.85Å; I1218-Y1258 HydrophobicContact CB-CE2 3.83Å; I1218-Y1258 HydrophobicContact CB-CG 4.33Å; I1218-Y1258 HydrophobicContact CD1-CD1 3.63Å; I1218-Y1258 HydrophobicContact CD1-CE1 3.83Å; I1218-Y1258 HydrophobicContact CD1-CG 4.18Å; I1218-Y1258 HydrophobicContact CG1-CD1 3.93Å; I1218-Y1258 HydrophobicContact CG1-CD2 4.27Å; I1218-Y1258 HydrophobicContact CG1-CE1 4.09Å; I1218-Y1258 HydrophobicContact CG1-CE2 4.41Å; I1218-Y1258 HydrophobicContact CG1-CG 4.02Å; I1218-Y1258 HydrophobicContact CG2-CD2 4.23Å; I1218-Y1258 HydrophobicContact CG2-CE2 3.91Å; V1232-Y1258 HydrophobicContact CB-CD1 4.43Å; V1232-Y1258 HydrophobicContact CB-CE1 4.33Å; V1232-Y1258 HydrophobicContact CG1-CD1 4.32Å; V1232-Y1258 HydrophobicContact CG1-CE1 3.89Å; V1232-Y1258 HydrophobicContact CG1-CE2 4.49Å; V1232-Y1258 HydrophobicContact CG2-CD1 3.88Å; V1232-Y1258 HydrophobicContact CG2-CE1 3.74Å; L1234-Y1258 HydrophobicContact CD1-CD2 4.21Å; L1234-Y1258 HydrophobicContact CD1-CE2 3.79Å; L1234-Y1258 HydrophobicContact CD2-CE2 4.22Å; S1254-Y1258 VanDerWaalsContact O-CD2 3.31Å; S1254-Y1258 WeakPolarHBondContact O-CD2 3.4Å; S1254-Y1258 PolarHBondContact O-N 3.49Å; V1255-Y1258 PolarHBondContact O-N 2.65Å; Y1258-A1261 CarbonylContact O-C 3.57Å; Y1258-A1261 PolarHBondContact O-N 3.25Å; Y1258-Q1262 PolarHBondContact O-N 3.49Å; Y1258-C1263 HydrophobicContact CD1-CB 4.44Å; Y1258-C1263 WeakPolarHBondContact O-CB 3.43Å; Y1258-C1263 PolarHBondContact O-N 3.28Å; Y1258-V1266 HydrophobicContact CG-CG2 4.08Å |
| 1259 | Q | 89.2 | Confident | 84.9 | Confident | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.009 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -68.4 | -37.7 | 177.9 | -69.7 | 177.2 | -48 | 0 | 0 | 112.6 | F1139 V1255 T1256 Y1257 A1261 Q1262 | F1139-Q1259 HydrophobicContact CD1-CB 3.92Å; F1139-Q1259 HydrophobicContact CE1-CB 4.08Å; V1255-Q1259 HydrophobicContact CG1-CG 4.24Å; V1255-Q1259 WeakPolarHBondContact O-CG 3.49Å; V1255-Q1259 PolarHBondContact O-N 3.02Å; T1256-Q1259 PolarHBondContact O-N 3.09Å; Y1257-Q1259 VanDerWaalsContact C-N 3.31Å; Y1257-Q1259 PolarHBondContact O-N 3.15Å; Q1259-A1261 PolarHBondContact O-N 3.17Å; Q1259-Q1262 PolarHBondContact O-N 3.17Å |
| 1260 | L | 85.6 | Confident | 87.1 | Confident | 17 Ų | 17 | 8.3 Ų | 8.3 | 9% | 0.089 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -63.8 | -31.5 | 171.6 | -72.2 | 174 | 0 | 0 | 0 | 112.1 | L898 A899 F914 F1139 F1142 T1256 Y1257 Q1262 | L898-L1260 HydrophobicContact CD2-CD1 3.99Å; L898-L1260 HydrophobicContact CG-CD1 4.24Å; A899-L1260 HydrophobicContact CB-CD2 3.57Å; F914-L1260 HydrophobicContact CE2-CD2 4.28Å; F1139-L1260 HydrophobicContact CE1-CD2 3.64Å; F1139-L1260 HydrophobicContact CE1-CG 3.96Å; F1139-L1260 HydrophobicContact CZ-CD2 3.71Å; F1139-L1260 HydrophobicContact CZ-CG 4.23Å; F1142-L1260 WeakPolarHBondContact CE1-O 3.38Å; T1256-L1260 HydrophobicContact CG2-CD1 4.44Å; T1256-L1260 WeakPolarHBondContact O-CG 3.33Å; T1256-L1260 PolarHBondContact O-N 2.77Å; Y1257-L1260 PolarHBondContact O-N 3.29Å; L1260-Q1262 PolarHBondContact O-N 3.09Å |
| 1261 | A | 88.1 | Confident | 88.6 | Confident | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.008 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 12.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1218 C1228 Y1257 Y1258 Q1259 C1263 | I1218-A1261 HydrophobicContact CD1-CB 3.75Å; C1228-A1261 HydrophobicContact CB-CB 4.01Å; C1228-A1261 PolarHBondContact N-O 2.95Å; Y1257-A1261 PolarHBondContact O-N 3.41Å; Y1258-A1261 CarbonylContact O-C 3.57Å; Y1258-A1261 PolarHBondContact O-N 3.25Å; Q1259-A1261 PolarHBondContact O-N 3.17Å; A1261-C1263 VanDerWaalsContact C-N 3.26Å; A1261-C1263 PolarHBondContact O-N 3.41Å |
| 1262 | Q | 89.8 | Confident | 89.7 | Confident | 4 Ų | 4 | 9.4 Ų | 9.4 | 2% | 0.019 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 23.7 | -177.8 | -63.6 | 176.3 | -41 | 0 | 0 | 115.3 | E913 F1142 K1146 W1147 R1227 C1228 Y1258 Q1259 L1260 | E913-Q1262 PolarHBondContact OE2-NE2 3.3Å; F1142-Q1262 HydrophobicContact CD1-CG 3.93Å; F1142-Q1262 HydrophobicContact CE1-CB 4.37Å; F1142-Q1262 HydrophobicContact CE1-CG 3.2Å; F1142-Q1262 HydrophobicContact CE2-CG 3.87Å; F1142-Q1262 HydrophobicContact CZ-CG 3.18Å; F1142-Q1262 VanDerWaalsContact CZ-NE2 3.31Å; K1146-Q1262 HydrophobicContact CG-CB 4.36Å; W1147-Q1262 PolarHBondContact NE1-O 2.87Å; W1147-Q1262 VanDerWaalsContact NE1-O 3.14Å; R1227-Q1262 VanDerWaalsContact NE-OE1 3.13Å; C1228-Q1262 CarbonylContact O-C 3.46Å; Y1258-Q1262 PolarHBondContact O-N 3.49Å; Q1259-Q1262 PolarHBondContact O-N 3.17Å; L1260-Q1262 PolarHBondContact O-N 3.09Å |
| 1263 | C | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.043 | C | C | . | . | trans | -56.6 | 124.4 | 173.8 | -180 | 0 | 0 | 0 | 0 | 110.1 | L1143 C1228 A1230 Y1258 A1261 N1265 V1266 | L1143-C1263 WeakPolarHBondContact CD2-O 3.08Å; C1228-C1263 HydrophobicContact CB-CB 3.97Å; C1228-C1263 WeakPolarHBondContact O-CA 2.99Å; A1230-C1263 PolarHBondContact O-SG 3.03Å; Y1258-C1263 HydrophobicContact CD1-CB 4.44Å; Y1258-C1263 WeakPolarHBondContact O-CB 3.43Å; Y1258-C1263 PolarHBondContact O-N 3.28Å; A1261-C1263 VanDerWaalsContact C-N 3.26Å; A1261-C1263 PolarHBondContact O-N 3.41Å; C1263-N1265 PolarHBondContact O-N 2.87Å; C1263-N1265 PolarHBondContact SG-O 2.96Å; C1263-V1266 HydrophobicContact CB-CG2 4.25Å; C1263-V1266 VanDerWaalsContact SG-CG2 3.52Å | ||
| 1264 | P | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -63.1 | -42 | -176 | 20.4 | -30.4 | 0 | 0 | 0 | 111.9 | W1147 P1151 H1229 A1230 I1231 G1342 L1343 | W1147-P1264 HydrophobicContact CD2-CB 4.09Å; W1147-P1264 HydrophobicContact CH2-CB 4.38Å; W1147-P1264 HydrophobicContact CH2-CG 3.98Å; W1147-P1264 HydrophobicContact CZ2-CB 3.84Å; W1147-P1264 HydrophobicContact CZ2-CG 3.56Å; P1151-P1264 HydrophobicContact CB-CB 3.96Å; P1151-P1264 HydrophobicContact CG-CB 3.77Å; H1229-P1264 WeakPolarHBondContact O-CG 3.46Å; A1230-P1264 WeakPolarHBondContact O-CD 3.36Å; I1231-P1264 HydrophobicContact CD1-CB 4.34Å; I1231-P1264 HydrophobicContact CD1-CG 3.61Å; I1231-P1264 HydrophobicContact CG1-CB 4.49Å; I1231-P1264 HydrophobicContact CG1-CG 3.9Å; P1264-G1342 CarbonylContact O-C 3.49Å; P1264-G1342 WeakPolarHBondContact O-CA 3.16Å; P1264-L1343 PolarHBondContact O-N 3.23Å |
| 1265 | N | 97.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 142.1 | 177.3 | -164.8 | -82 | 0 | 0 | 0 | 111.9 | I1231 V1232 C1263 L1317 S1340 Y1341 L1343 V1345 | I1231-N1265 CarbonylContact C-O 3.59Å; I1231-N1265 WeakPolarHBondContact CA-O 3.16Å; I1231-N1265 HydrophobicContact CG1-CB 4.26Å; I1231-N1265 HydrophobicContact CG2-CB 4.26Å; V1232-N1265 PolarHBondContact N-O 3.14Å; C1263-N1265 PolarHBondContact O-N 2.87Å; C1263-N1265 PolarHBondContact SG-O 2.96Å; N1265-L1317 HydrophobicContact CB-CD2 4.49Å; N1265-S1340 PolarHBondContact ND2-OG 2.97Å; N1265-S1340 PolarHBondContact OD1-OG 3.11Å; N1265-Y1341 CarbonylContact C-O 3.28Å; N1265-Y1341 VanDerWaalsContact CA-O 3.31Å; N1265-Y1341 WeakPolarHBondContact CA-O 3.05Å; N1265-L1343 PolarHBondContact ND2-O 3.15Å; N1265-V1345 HydrophobicContact CB-CG2 3.58Å |
| 1266 | V | 97.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.7 | 173.9 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | V1232 L1234 V1255 Y1258 C1263 A1268 S1340 Y1341 | V1232-V1266 HydrophobicContact CB-CG1 4.34Å; V1232-V1266 HydrophobicContact CB-CG2 4.36Å; V1232-V1266 HydrophobicContact CG1-CG1 4.16Å; V1232-V1266 CarbonylContact O-C 3.52Å; V1232-V1266 VanDerWaalsContact O-CA 3.28Å; V1232-V1266 WeakPolarHBondContact O-CA 3.29Å; L1234-V1266 HydrophobicContact CD1-CG1 3.82Å; L1234-V1266 HydrophobicContact CG-CG1 4.17Å; V1255-V1266 HydrophobicContact CG1-CB 4.35Å; V1255-V1266 HydrophobicContact CG2-CG1 4.11Å; Y1258-V1266 HydrophobicContact CG-CG2 4.08Å; C1263-V1266 HydrophobicContact CB-CG2 4.25Å; C1263-V1266 VanDerWaalsContact SG-CG2 3.52Å; V1266-A1268 HydrophobicContact CG1-CB 4.29Å; V1266-S1340 CarbonylContact O-C 3.52Å; V1266-S1340 WeakPolarHBondContact O-CA 3.39Å; V1266-Y1341 PolarHBondContact N-O 2.9Å; V1266-Y1341 PolarHBondContact O-N 3.37Å |
| 1267 | V | 98 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.4 | 166.8 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | V1232 L1233 L1234 M1235 L1317 L1321 I1338 L1339 | V1232-V1267 PolarHBondContact O-N 3.19Å; L1233-V1267 HydrophobicContact CD2-CB 3.55Å; L1233-V1267 HydrophobicContact CD2-CG1 4.46Å; L1233-V1267 HydrophobicContact CD2-CG2 3.46Å; L1233-V1267 VanDerWaalsContact CD2-CG2 3.46Å; L1234-V1267 PolarHBondContact N-O 2.87Å; M1235-V1267 HydrophobicContact CE-CB 4.36Å; M1235-V1267 HydrophobicContact CE-CG1 3.92Å; V1267-L1317 HydrophobicContact CG2-CD1 4.41Å; V1267-L1317 HydrophobicContact CG2-CD2 4.14Å; V1267-L1321 HydrophobicContact CG1-CD1 4.44Å; V1267-L1321 HydrophobicContact CG1-CD2 3.9Å; V1267-L1321 HydrophobicContact CG2-CD1 3.96Å; V1267-I1338 HydrophobicContact CG1-CG2 3.88Å; V1267-L1339 CarbonylContact C-O 3.46Å; V1267-L1339 WeakPolarHBondContact CA-O 3.3Å |
| 1268 | A | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 170.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1234 S1239 G1240 V1255 V1266 I1338 L1339 | L1234-A1268 HydrophobicContact CB-CB 4.39Å; L1234-A1268 HydrophobicContact CD1-CB 4.47Å; S1239-A1268 WeakPolarHBondContact OG-CA 3.43Å; S1239-A1268 WeakPolarHBondContact OG-CB 3.16Å; G1240-A1268 VanDerWaalsContact CA-CB 3.44Å; V1255-A1268 HydrophobicContact CG2-CB 3.93Å; V1266-A1268 HydrophobicContact CG1-CB 4.29Å; A1268-I1338 WeakPolarHBondContact O-CA 3.47Å; A1268-L1339 PolarHBondContact N-O 3.28Å; A1268-L1339 PolarHBondContact O-N 3.41Å |
| 1269 | L | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.9 | -175.6 | -68 | 84.1 | 0 | 0 | 0 | 111.3 | L1234 M1235 S1238 S1239 G1240 W1271 V1273 T1278 S1337 I1338 | L1234-L1269 WeakPolarHBondContact O-CD1 3.45Å; M1235-L1269 HydrophobicContact CE-CD1 4.36Å; M1235-L1269 HydrophobicContact SD-CD1 4.23Å; S1238-L1269 CarbonylContact C-O 3.4Å; S1238-L1269 WeakPolarHBondContact CA-O 3.21Å; S1239-L1269 PolarHBondContact N-O 3.31Å; S1239-L1269 VanDerWaalsContact N-O 3.08Å; S1239-L1269 PolarHBondContact OG-N 3.4Å; G1240-L1269 WeakPolarHBondContact CA-O 3.28Å; G1240-L1269 PolarHBondContact N-O 2.08Å; L1269-W1271 PolarHBondContact O-N 3.02Å; L1269-V1273 HydrophobicContact CD2-CB 4.33Å; L1269-V1273 HydrophobicContact CD2-CG1 4.19Å; L1269-V1273 HydrophobicContact CD2-CG2 3.23Å; L1269-T1278 HydrophobicContact CD2-CG2 4.17Å; L1269-S1337 CarbonylContact C-O 3.43Å; L1269-S1337 VanDerWaalsContact CA-O 3.3Å; L1269-S1337 WeakPolarHBondContact CA-O 3.39Å; L1269-I1338 HydrophobicContact CD2-CG1 4.3Å; L1269-I1338 HydrophobicContact CG-CG1 4.07Å |
| 1270 | L | 93.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -67.7 | -31.3 | -176.9 | -71.1 | 175.1 | 0 | 0 | 0 | 113.5 | M1117 P1119 R1241 S1337 L1339 Y1341 | M1117-L1270 HydrophobicContact CE-CB 4.12Å; M1117-L1270 HydrophobicContact CE-CD2 4.14Å; M1117-L1270 WeakPolarHBondContact CE-O 3.44Å; M1117-L1270 HydrophobicContact SD-CD2 4.46Å; P1119-L1270 HydrophobicContact CB-CD1 4.33Å; R1241-L1270 WeakPolarHBondContact CB-O 3.39Å; L1270-S1337 WeakPolarHBondContact CG-O 3.41Å; L1270-S1337 PolarHBondContact N-O 3.45Å; L1270-L1339 HydrophobicContact CD1-CD2 4.22Å; L1270-L1339 HydrophobicContact CD2-CD2 3.94Å; L1270-L1339 HydrophobicContact CG-CD2 4.24Å; L1270-Y1341 WeakPolarHBondContact CD2-OH 3.43Å |
| 1271 | W | 92.7 | Very high | 92.8 | Very high | 8 Ų | 8 | 17.2 Ų | 17.2 | 3% | 0.03 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -148.1 | -176.3 | -176.5 | 52.6 | 73.5 | 0 | 0 | 0 | 111.7 | M1010 P1119 S1238 L1269 L1333 A1336 S1337 | M1010-W1271 HydrophobicContact CE-CH2 4.09Å; M1010-W1271 HydrophobicContact CE-CZ2 3.93Å; P1119-W1271 HydrophobicContact CB-CH2 3.81Å; P1119-W1271 HydrophobicContact CB-CZ3 4.28Å; P1119-W1271 HydrophobicContact CG-CH2 3.92Å; P1119-W1271 HydrophobicContact CG-CZ3 4.33Å; S1238-W1271 PolarHBondContact N-O 2.74Å; S1238-W1271 WeakPolarHBondContact OG-CA 3.22Å; L1269-W1271 PolarHBondContact O-N 3.02Å; W1271-L1333 WeakPolarHBondContact CZ2-O 3.44Å; W1271-L1333 PolarHBondContact NE1-O 2.88Å; W1271-A1336 HydrophobicContact CH2-CB 4.39Å; W1271-A1336 HydrophobicContact CZ2-CB 4.34Å; W1271-S1337 VanDerWaalsContact CE2-CB 3.44Å |
| 1272 | D | 90.6 | Very high | 93.2 | Very high | 53 Ų | 53 | 17.2 Ų | 17.2 | 28% | 0.283 | 8% | 0.083 | S | C | . | . | trans | -74.4 | 132.9 | -178 | -63 | -16.5 | 0 | 0 | 0 | 111.7 | N987 I991 C1237 S1238 | N987-D1272 PolarHBondContact ND2-O 2.97Å; I991-D1272 HydrophobicContact CD1-CB 3.65Å; C1237-D1272 HydrophobicContact CB-CB 4.35Å; C1237-D1272 WeakPolarHBondContact CB-OD1 3.31Å; S1238-D1272 PolarHBondContact OG-N 3.43Å; S1238-D1272 PolarHBondContact OG-OD1 3.25Å | ||
| 1273 | V | 91.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 18.4 Ų | 18.4 | 5% | 0.048 | 9% | 0.088 | C | C | . | . | trans | -134.7 | 176.2 | -179 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | C1237 L1269 T1278 T1334 S1337 | C1237-V1273 PolarHBondContact SG-N 3.21Å; C1237-V1273 PolarHBondContact SG-O 2.87Å; L1269-V1273 HydrophobicContact CD2-CB 4.33Å; L1269-V1273 HydrophobicContact CD2-CG1 4.19Å; L1269-V1273 HydrophobicContact CD2-CG2 3.23Å; V1273-T1278 WeakPolarHBondContact CG2-OG1 3.24Å; V1273-T1334 HydrophobicContact CB-CG2 4.18Å; V1273-T1334 HydrophobicContact CG1-CG2 4.13Å; V1273-S1337 WeakPolarHBondContact CG1-OG 3.41Å | ||
| 1274 | T | 88.4 | Confident | 93.6 | Very high | 17 Ų | 17 | 18.4 Ų | 18.4 | 10% | 0.104 | 9% | 0.089 | C | C | . | . | trans | -96.9 | 132.5 | 179.1 | 53.9 | 0 | 0 | 0 | 0 | 111.2 | F999 K1276 D1277 T1278 | F999-T1274 HydrophobicContact CZ-CG2 3.76Å; T1274-K1276 PolarHBondContact O-N 3.45Å; T1274-D1277 PolarHBondContact O-N 3.23Å; T1274-D1277 WeakPolarHBondContact OG1-CB 3.48Å; T1274-T1278 PolarHBondContact O-N 3.24Å; T1274-T1278 VanDerWaalsContact O-N 3.17Å; T1274-T1278 PolarHBondContact O-OG1 2.98Å | ||
| 1275 | D | 84.7 | Confident | 93.6 | Very high | 78 Ų | 78 | 18.4 Ų | 18.4 | 42% | 0.417 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -43 | -57.9 | 179.4 | 59.3 | -15 | 0 | 0 | 0 | 114 | L1168 D1277 T1278 D1279 | L1168-D1275 HydrophobicContact CD2-CB 4.16Å; D1275-D1277 PolarHBondContact O-N 2.75Å; D1275-T1278 PolarHBondContact O-N 2.89Å; D1275-T1278 VanDerWaalsContact O-N 3.14Å; D1275-D1279 WeakPolarHBondContact O-CB 3.13Å; D1275-D1279 PolarHBondContact O-N 3.35Å |
| 1276 | K | 89.8 | Confident | 93.5 | Very high | 126 Ų | 126 | 18.4 Ų | 18.4 | 55% | 0.548 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -58.5 | -27.5 | -177.3 | -173 | 172.2 | -175 | 175.3 | 0 | 113.1 | T1274 R1280 | T1274-K1276 PolarHBondContact O-N 3.45Å; K1276-R1280 WeakPolarHBondContact O-CG 3.27Å; K1276-R1280 PolarHBondContact O-N 3.05Å |
| 1277 | D | 89.9 | Confident | 93.3 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -84.1 | -40.8 | -178.9 | -147.8 | 36.8 | 0 | 0 | 0 | 112.1 | T1274 D1275 D1279 R1280 M1281 K1329 L1330 T1334 | T1274-D1277 PolarHBondContact O-N 3.23Å; T1274-D1277 WeakPolarHBondContact OG1-CB 3.48Å; D1275-D1277 PolarHBondContact O-N 2.75Å; D1277-D1279 VanDerWaalsContact C-N 3.26Å; D1277-D1279 PolarHBondContact O-N 2.89Å; D1277-R1280 PolarHBondContact O-N 3.37Å; D1277-R1280 IonicContact OD1-NH1 3.99Å; D1277-R1280 PolarHBondContact OD1-NH1 2.64Å; D1277-M1281 PolarHBondContact O-N 2.93Å; D1277-K1329 WeakPolarHBondContact OD1-CA 3.45Å; D1277-K1329 WeakPolarHBondContact OD1-CB 3.36Å; D1277-K1329 PolarHBondContact OD1-N 3.02Å; D1277-L1330 PolarHBondContact OD2-N 3.1Å; D1277-L1330 VanDerWaalsContact OD2-N 3.1Å; D1277-T1334 HydrophobicContact CB-CG2 4.08Å; D1277-T1334 WeakPolarHBondContact OD2-CB 3.11Å; D1277-T1334 PolarHBondContact OD2-OG1 2.94Å |
| 1278 | T | 92.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 18.9 Ų | 18.9 | 5% | 0.049 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.4 | -39.7 | 168.9 | -50.2 | 0 | 0 | 0 | 0 | 111.5 | M1235 L1269 V1273 T1274 D1275 M1281 L1282 | M1235-T1278 HydrophobicContact CB-CG2 4.05Å; M1235-T1278 HydrophobicContact CG-CG2 4.47Å; M1235-T1278 HydrophobicContact SD-CG2 3.97Å; L1269-T1278 HydrophobicContact CD2-CG2 4.17Å; V1273-T1278 WeakPolarHBondContact CG2-OG1 3.24Å; T1274-T1278 PolarHBondContact O-N 3.24Å; T1274-T1278 VanDerWaalsContact O-N 3.17Å; T1274-T1278 PolarHBondContact O-OG1 2.98Å; D1275-T1278 PolarHBondContact O-N 2.89Å; D1275-T1278 VanDerWaalsContact O-N 3.14Å; T1278-M1281 HydrophobicContact CG2-CE 4.48Å; T1278-M1281 PolarHBondContact O-N 3.22Å; T1278-L1282 PolarHBondContact O-N 2.65Å |
| 1279 | D | 95.4 | Very high | 93.1 | Very high | 11 Ų | 11 | 18.9 Ų | 18.9 | 6% | 0.059 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 179.1 | -69.3 | -5.6 | 0 | 0 | 0 | 112.3 | T1171 F1175 D1275 D1277 M1281 H1283 | T1171-D1279 VanDerWaalsContact CA-OD2 3.26Å; T1171-D1279 WeakPolarHBondContact CA-OD2 3.22Å; T1171-D1279 WeakPolarHBondContact CB-OD2 3.44Å; T1171-D1279 VanDerWaalsContact CG2-OD1 3.29Å; T1171-D1279 WeakPolarHBondContact CG2-OD1 3.49Å; T1171-D1279 PolarHBondContact OG1-OD1 3.27Å; T1171-D1279 PolarHBondContact OG1-OD2 2.92Å; F1175-D1279 HydrophobicContact CE2-CB 3.79Å; F1175-D1279 HydrophobicContact CZ-CB 4.2Å; F1175-D1279 VanDerWaalsContact CZ-O 3.28Å; F1175-D1279 WeakPolarHBondContact CZ-O 3.41Å; D1275-D1279 WeakPolarHBondContact O-CB 3.13Å; D1275-D1279 PolarHBondContact O-N 3.35Å; D1277-D1279 VanDerWaalsContact C-N 3.26Å; D1277-D1279 PolarHBondContact O-N 2.89Å; D1279-M1281 VanDerWaalsContact C-N 3.31Å; D1279-M1281 PolarHBondContact O-N 3.41Å; D1279-H1283 VanDerWaalsContact O-CB 3.28Å; D1279-H1283 WeakPolarHBondContact O-CB 3.08Å; D1279-H1283 PolarHBondContact O-N 3.45Å |
| 1280 | R | 93.8 | Very high | 92.9 | Very high | 46 Ų | 46 | 19.3 Ų | 19.3 | 17% | 0.174 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 173.3 | -75.2 | -176.8 | -171.8 | 111.4 | -4.9 | 111.3 | K1276 D1277 A1284 D1298 | K1276-R1280 WeakPolarHBondContact O-CG 3.27Å; K1276-R1280 PolarHBondContact O-N 3.05Å; D1277-R1280 PolarHBondContact O-N 3.37Å; D1277-R1280 IonicContact OD1-NH1 3.99Å; D1277-R1280 PolarHBondContact OD1-NH1 2.64Å; R1280-A1284 WeakPolarHBondContact O-CB 3.21Å; R1280-A1284 PolarHBondContact O-N 3.24Å; R1280-D1298 IonicContact NE-OD2 3.62Å |
| 1281 | M | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.9 | -48.3 | -179.4 | -174.3 | -84.1 | -46.3 | 0 | 0 | 112 | M1235 D1277 T1278 D1279 H1283 A1284 L1285 A1324 I1338 | M1235-M1281 HydrophobicContact SD-CE 3.64Å; D1277-M1281 PolarHBondContact O-N 2.93Å; T1278-M1281 HydrophobicContact CG2-CE 4.48Å; T1278-M1281 PolarHBondContact O-N 3.22Å; D1279-M1281 VanDerWaalsContact C-N 3.31Å; D1279-M1281 PolarHBondContact O-N 3.41Å; M1281-H1283 VanDerWaalsContact C-N 3.31Å; M1281-H1283 PolarHBondContact O-N 3.44Å; M1281-A1284 PolarHBondContact O-N 2.98Å; M1281-L1285 WeakPolarHBondContact O-CB 3.44Å; M1281-L1285 PolarHBondContact O-N 3.3Å; M1281-L1285 HydrophobicContact SD-CB 4.33Å; M1281-L1285 HydrophobicContact SD-CD2 4.46Å; M1281-A1324 HydrophobicContact CG-CB 4.12Å; M1281-A1324 HydrophobicContact SD-CB 4.25Å; M1281-I1338 HydrophobicContact CB-CD1 4.16Å; M1281-I1338 HydrophobicContact CE-CD1 3.51Å; M1281-I1338 HydrophobicContact CE-CG1 3.84Å; M1281-I1338 HydrophobicContact CE-CG2 3.92Å; M1281-I1338 HydrophobicContact CG-CD1 3.57Å; M1281-I1338 HydrophobicContact SD-CD1 3.87Å; M1281-I1338 HydrophobicContact SD-CG2 4.1Å |
| 1282 | L | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.4 | -42.1 | 179.1 | 176.9 | 67.2 | 0 | 0 | 0 | 111 | F1175 F1179 V1207 C1209 L1233 M1235 T1278 L1285 L1286 | F1175-L1282 HydrophobicContact CD1-CD2 4.4Å; F1175-L1282 HydrophobicContact CD2-CD2 4.44Å; F1175-L1282 HydrophobicContact CE1-CB 4.35Å; F1175-L1282 HydrophobicContact CE1-CD2 3.84Å; F1175-L1282 HydrophobicContact CE1-CG 4.01Å; F1175-L1282 HydrophobicContact CE2-CD2 3.87Å; F1175-L1282 HydrophobicContact CZ-CB 3.8Å; F1175-L1282 HydrophobicContact CZ-CD2 3.54Å; F1175-L1282 HydrophobicContact CZ-CG 3.85Å; F1179-L1282 HydrophobicContact CZ-CD2 4.36Å; V1207-L1282 HydrophobicContact CG1-CD2 4.26Å; C1209-L1282 VanDerWaalsContact SG-CD2 3.53Å; L1233-L1282 HydrophobicContact CD1-CD1 4Å; M1235-L1282 HydrophobicContact CG-CB 4.32Å; M1235-L1282 HydrophobicContact CG-CD1 3.91Å; M1235-L1282 HydrophobicContact CG-CD2 3.74Å; M1235-L1282 HydrophobicContact CG-CG 4.19Å; M1235-L1282 HydrophobicContact SD-CB 4.33Å; M1235-L1282 HydrophobicContact SD-CD1 4.17Å; T1278-L1282 PolarHBondContact O-N 2.65Å; L1282-L1285 PolarHBondContact O-N 3.05Å; L1282-L1286 HydrophobicContact CD1-CD1 4Å; L1282-L1286 HydrophobicContact CD1-CG 4.05Å; L1282-L1286 HydrophobicContact CG-CD1 4.06Å; L1282-L1286 HydrophobicContact CG-CG 4.43Å; L1282-L1286 WeakPolarHBondContact O-CG 3.46Å; L1282-L1286 PolarHBondContact O-N 2.94Å |
| 1283 | H | 95.7 | Very high | 91.8 | Very high | 29 Ų | 29 | 24.5 Ų | 24.5 | 13% | 0.134 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.8 | -48.1 | 175.7 | -175.3 | -106.3 | 0 | 0 | 0 | 111.6 | F1175 F1178 D1279 M1281 L1285 L1286 T1287 | F1175-H1283 HydrophobicContact CE1-CB 4.01Å; F1175-H1283 HydrophobicContact CZ-CB 4.26Å; F1178-H1283 AromaticContact CD2-CD2 3.83Å; F1178-H1283 AromaticContact CD2-NE2 3.74Å; F1178-H1283 AromaticContact CE2-CD2 3.75Å; F1178-H1283 AromaticContact CE2-NE2 3.64Å; D1279-H1283 VanDerWaalsContact O-CB 3.28Å; D1279-H1283 WeakPolarHBondContact O-CB 3.08Å; D1279-H1283 PolarHBondContact O-N 3.45Å; M1281-H1283 VanDerWaalsContact C-N 3.31Å; M1281-H1283 PolarHBondContact O-N 3.44Å; H1283-L1285 PolarHBondContact O-N 2.7Å; H1283-L1286 PolarHBondContact O-N 3.43Å; H1283-T1287 WeakPolarHBondContact O-CB 3.27Å; H1283-T1287 PolarHBondContact O-N 2.93Å; H1283-T1287 PolarHBondContact O-OG1 3.46Å |
| 1284 | A | 95.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.8 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1280 M1281 T1287 I1288 P1295 A1324 H1327 | R1280-A1284 WeakPolarHBondContact O-CB 3.21Å; R1280-A1284 PolarHBondContact O-N 3.24Å; M1281-A1284 PolarHBondContact O-N 2.98Å; A1284-T1287 PolarHBondContact O-N 3.37Å; A1284-I1288 HydrophobicContact CB-CD1 4.46Å; A1284-I1288 WeakPolarHBondContact O-CB 3.48Å; A1284-I1288 WeakPolarHBondContact O-CD1 3.44Å; A1284-I1288 WeakPolarHBondContact O-CG1 3.42Å; A1284-I1288 PolarHBondContact O-N 3.17Å; A1284-P1295 HydrophobicContact CB-CB 4.18Å; A1284-P1295 HydrophobicContact CB-CG 4.04Å; A1284-A1324 HydrophobicContact CB-CB 4.17Å; A1284-H1327 HydrophobicContact CB-CB 3.88Å |
| 1285 | L | 96.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.4 | -54.4 | 178 | 177.2 | 62 | 0 | 0 | 0 | 111.5 | L1233 M1281 L1282 H1283 T1287 I1288 W1289 L1317 A1320 L1321 A1324 | L1233-L1285 HydrophobicContact CD1-CD2 4.41Å; M1281-L1285 WeakPolarHBondContact O-CB 3.44Å; M1281-L1285 PolarHBondContact O-N 3.3Å; M1281-L1285 HydrophobicContact SD-CB 4.33Å; M1281-L1285 HydrophobicContact SD-CD2 4.46Å; L1282-L1285 PolarHBondContact O-N 3.05Å; H1283-L1285 PolarHBondContact O-N 2.7Å; L1285-T1287 VanDerWaalsContact C-N 3.29Å; L1285-T1287 PolarHBondContact O-N 3.05Å; L1285-I1288 PolarHBondContact O-N 3.01Å; L1285-W1289 WeakPolarHBondContact O-CB 3.37Å; L1285-W1289 PolarHBondContact O-N 2.88Å; L1285-L1317 HydrophobicContact CD1-CD1 4.13Å; L1285-L1317 HydrophobicContact CD2-CD1 4.48Å; L1285-A1320 HydrophobicContact CD1-CB 3.8Å; L1285-L1321 HydrophobicContact CD1-CD2 3.84Å; L1285-L1321 HydrophobicContact CD1-CG 3.87Å; L1285-L1321 HydrophobicContact CD2-CD2 3.69Å; L1285-L1321 HydrophobicContact CD2-CG 4.46Å; L1285-L1321 HydrophobicContact CG-CD2 4.37Å; L1285-A1324 HydrophobicContact CB-CB 3.76Å; L1285-A1324 HydrophobicContact CD1-CB 4.35Å |
| 1286 | L | 95.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.7 | -33.9 | -177.5 | -63.8 | 177.8 | 0 | 0 | 0 | 112.1 | F1178 F1179 W1184 L1233 L1282 H1283 W1289 L1290 Q1291 | F1178-L1286 HydrophobicContact CE1-CB 3.93Å; F1178-L1286 HydrophobicContact CE1-CD1 3.84Å; F1178-L1286 HydrophobicContact CZ-CB 4.1Å; F1179-L1286 HydrophobicContact CE1-CD1 3.74Å; W1184-L1286 HydrophobicContact CH2-CD1 3.93Å; W1184-L1286 HydrophobicContact CH2-CD2 3.97Å; W1184-L1286 HydrophobicContact CZ3-CD1 4.25Å; L1233-L1286 HydrophobicContact CD1-CD2 3.96Å; L1282-L1286 HydrophobicContact CD1-CD1 4Å; L1282-L1286 HydrophobicContact CD1-CG 4.05Å; L1282-L1286 HydrophobicContact CG-CD1 4.06Å; L1282-L1286 HydrophobicContact CG-CG 4.43Å; L1282-L1286 WeakPolarHBondContact O-CG 3.46Å; L1282-L1286 PolarHBondContact O-N 2.94Å; H1283-L1286 PolarHBondContact O-N 3.43Å; L1286-W1289 HydrophobicContact CD2-CE3 4.49Å; L1286-L1290 HydrophobicContact CD2-CD1 3.86Å; L1286-L1290 WeakPolarHBondContact O-CB 3.48Å; L1286-L1290 PolarHBondContact O-N 3.17Å; L1286-Q1291 PolarHBondContact O-N 3.32Å |
| 1287 | T | 94.1 | Very high | 88.2 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.3 | -48.4 | 178 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | H1283 A1284 L1285 Q1291 N1292 S1293 P1295 | H1283-T1287 WeakPolarHBondContact O-CB 3.27Å; H1283-T1287 PolarHBondContact O-N 2.93Å; H1283-T1287 PolarHBondContact O-OG1 3.46Å; A1284-T1287 PolarHBondContact O-N 3.37Å; L1285-T1287 VanDerWaalsContact C-N 3.29Å; L1285-T1287 PolarHBondContact O-N 3.05Å; T1287-Q1291 CarbonylContact O-C 3.35Å; T1287-Q1291 WeakPolarHBondContact O-CB 3.42Å; T1287-Q1291 PolarHBondContact O-N 3.46Å; T1287-N1292 PolarHBondContact O-N 3.11Å; T1287-S1293 CarbonylContact C-O 3.51Å; T1287-S1293 WeakPolarHBondContact CG2-OG 3.47Å; T1287-S1293 PolarHBondContact O-N 2.88Å; T1287-P1295 HydrophobicContact CG2-CB 4.5Å |
| 1288 | I | 93.7 | Very high | 86.5 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.4 | -39.6 | -179.1 | -67.1 | 168.8 | 0 | 0 | 0 | 111.2 | A1284 L1285 P1295 T1314 A1320 H1323 | A1284-I1288 HydrophobicContact CB-CD1 4.46Å; A1284-I1288 WeakPolarHBondContact O-CB 3.48Å; A1284-I1288 WeakPolarHBondContact O-CD1 3.44Å; A1284-I1288 WeakPolarHBondContact O-CG1 3.42Å; A1284-I1288 PolarHBondContact O-N 3.17Å; L1285-I1288 PolarHBondContact O-N 3.01Å; I1288-P1295 HydrophobicContact CD1-CG 4.32Å; I1288-P1295 HydrophobicContact CG1-CG 4.41Å; I1288-T1314 HydrophobicContact CG2-CG2 4.26Å; I1288-T1314 PolarHBondContact O-N 3.29Å; I1288-A1320 HydrophobicContact CB-CB 4.46Å; I1288-A1320 HydrophobicContact CG2-CB 3.87Å; I1288-H1323 HydrophobicContact CD1-CB 3.73Å; I1288-H1323 HydrophobicContact CG2-CB 4.47Å |
| 1289 | W | 94.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -87.2 | -46 | -171.7 | -177.1 | 37.1 | 0 | 0 | 0 | 114.2 | V1153 L1205 I1231 L1285 L1286 T1314 N1315 L1317 A1320 V1345 A1347 | V1153-W1289 HydrophobicContact CB-CH2 4.16Å; V1153-W1289 HydrophobicContact CB-CZ2 4.1Å; V1153-W1289 HydrophobicContact CG1-CH2 4.37Å; V1153-W1289 HydrophobicContact CG2-CH2 3.75Å; V1153-W1289 HydrophobicContact CG2-CZ2 3.89Å; L1205-W1289 HydrophobicContact CD1-CH2 4.31Å; L1205-W1289 HydrophobicContact CD1-CZ3 4.15Å; L1205-W1289 HydrophobicContact CD2-CZ3 4.43Å; I1231-W1289 HydrophobicContact CG2-CH2 4.46Å; L1285-W1289 WeakPolarHBondContact O-CB 3.37Å; L1285-W1289 PolarHBondContact O-N 2.88Å; L1286-W1289 HydrophobicContact CD2-CE3 4.49Å; W1289-T1314 WeakPolarHBondContact CA-O 3.46Å; W1289-N1315 PolarHBondContact NE1-O 3.43Å; W1289-L1317 HydrophobicContact CD2-CB 4.4Å; W1289-L1317 HydrophobicContact CD2-CD1 3.9Å; W1289-L1317 HydrophobicContact CE3-CD1 3.78Å; W1289-L1317 HydrophobicContact CH2-CD1 4.02Å; W1289-L1317 HydrophobicContact CZ2-CB 3.97Å; W1289-L1317 HydrophobicContact CZ2-CD1 4.16Å; W1289-L1317 HydrophobicContact CZ2-CG 4.45Å; W1289-L1317 HydrophobicContact CZ3-CD1 3.85Å; W1289-A1320 HydrophobicContact CB-CB 3.62Å; W1289-A1320 HydrophobicContact CG-CB 4.15Å; W1289-V1345 HydrophobicContact CZ2-CG1 4.01Å; W1289-A1347 WeakPolarHBondContact O-CB 3.08Å |
| 1290 | L | 92.2 | Very high | 81.8 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -105.8 | -30.2 | -171.7 | -59.3 | -178.9 | 0 | 0 | 0 | 113 | V1153 K1155 W1184 L1205 L1286 A1347 | V1153-L1290 HydrophobicContact CG1-CD2 4.23Å; K1155-L1290 WeakPolarHBondContact CD-O 3.29Å; K1155-L1290 HydrophobicContact CG-CB 4.25Å; W1184-L1290 HydrophobicContact CH2-CD1 4.19Å; W1184-L1290 HydrophobicContact CZ2-CD1 3.74Å; L1205-L1290 HydrophobicContact CD2-CD1 3.87Å; L1286-L1290 HydrophobicContact CD2-CD1 3.86Å; L1286-L1290 WeakPolarHBondContact O-CB 3.48Å; L1286-L1290 PolarHBondContact O-N 3.17Å; L1290-A1347 HydrophobicContact CD2-CB 3.92Å |
| 1291 | Q | 87.5 | Confident | 79.2 | Confident | 69 Ų | 69 | 49.1 Ų | 49.1 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -94.6 | -3.6 | -179.8 | -62.6 | -178.1 | -52.8 | 0 | 0 | 113.2 | L1182 L1286 T1287 S1293 | L1182-Q1291 HydrophobicContact CD2-CG 4.16Å; L1286-Q1291 PolarHBondContact O-N 3.32Å; T1287-Q1291 CarbonylContact O-C 3.35Å; T1287-Q1291 WeakPolarHBondContact O-CB 3.42Å; T1287-Q1291 PolarHBondContact O-N 3.46Å; Q1291-S1293 WeakPolarHBondContact CB-OG 3.45Å; Q1291-S1293 PolarHBondContact O-N 2.99Å; Q1291-S1293 VanDerWaalsContact O-N 3.14Å |
| 1292 | N | 83.3 | Confident | 76.2 | Confident | 60 Ų | 60 | 52.5 Ų | 52.5 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | trans | 47.9 | 42.1 | -177.4 | -69.4 | -28.6 | 0 | 0 | 0 | 112.7 | T1287 Y1313 N1315 | T1287-N1292 PolarHBondContact O-N 3.11Å; N1292-Y1313 HydrophobicContact CB-CD2 3.61Å; N1292-Y1313 HydrophobicContact CB-CE2 3.96Å; N1292-Y1313 HydrophobicContact CB-CG 4.12Å; N1292-Y1313 WeakPolarHBondContact O-CD1 3.29Å; N1292-N1315 PolarHBondContact ND2-OD1 3.06Å; N1292-N1315 PolarHBondContact OD1-OD1 3.41Å; N1292-N1315 VanDerWaalsContact OD1-OD1 3.09Å | ||
| 1293 | S | 82.8 | Confident | 73.1 | Confident | 41 Ų | 41 | 57.9 Ų | 57.9 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -140.7 | 173.1 | -173.8 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | T1287 Q1291 | T1287-S1293 CarbonylContact C-O 3.51Å; T1287-S1293 WeakPolarHBondContact CG2-OG 3.47Å; T1287-S1293 PolarHBondContact O-N 2.88Å; Q1291-S1293 WeakPolarHBondContact CB-OG 3.45Å; Q1291-S1293 PolarHBondContact O-N 2.99Å; Q1291-S1293 VanDerWaalsContact O-N 3.14Å |
| 1294 | F | 76.6 | Confident | 70.2 | Confident | 90 Ų | 90 | 64.4 Ų | 64.4 | 40% | 0.395 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -96 | 134 | -179.9 | -57.3 | -62.8 | 0 | 0 | 0 | 110.6 | K1311 Y1313 | F1294-K1311 HydrophobicContact CD1-CB 3.85Å; F1294-K1311 HydrophobicContact CD1-CG 4.5Å; F1294-K1311 HydrophobicContact CD2-CB 4.45Å; F1294-K1311 HydrophobicContact CD2-CD 4.38Å; F1294-K1311 HydrophobicContact CE1-CB 3.39Å; F1294-K1311 HydrophobicContact CE1-CG 4.47Å; F1294-K1311 WeakPolarHBondContact CE1-O 2.99Å; F1294-K1311 HydrophobicContact CE2-CB 4Å; F1294-K1311 HydrophobicContact CG-CB 4.38Å; F1294-K1311 HydrophobicContact CG-CD 4.36Å; F1294-K1311 VanDerWaalsContact CZ-C 3.46Å; F1294-K1311 HydrophobicContact CZ-CB 3.46Å; F1294-K1311 VanDerWaalsContact CZ-CB 3.46Å; F1294-K1311 WeakPolarHBondContact CZ-O 3.38Å; F1294-Y1313 HydrophobicContact CE1-CD1 4.31Å; F1294-Y1313 HydrophobicContact CE2-CD1 4.47Å; F1294-Y1313 AromaticContact CZ-CD1 3.84Å; F1294-Y1313 HydrophobicContact CZ-CD1 3.84Å; F1294-Y1313 HydrophobicContact CZ-CE1 4.49Å |
| 1295 | P | 75.2 | Confident | 67.2 | Low | 16 Ų | 16 | 71.6 Ų | 71.6 | 10% | 0.104 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 141.2 | 171 | 27 | -32.7 | 0 | 0 | 0 | 109.2 | A1284 T1287 I1288 H1327 | A1284-P1295 HydrophobicContact CB-CB 4.18Å; A1284-P1295 HydrophobicContact CB-CG 4.04Å; T1287-P1295 HydrophobicContact CG2-CB 4.5Å; I1288-P1295 HydrophobicContact CD1-CG 4.32Å; I1288-P1295 HydrophobicContact CG1-CG 4.41Å; P1295-H1327 WeakPolarHBondContact CG-CE1 3.49Å; P1295-H1327 WeakPolarHBondContact CG-NE2 3.09Å |
| 1296 | P | 66.7 | Low | 64.5 | Low | 81 Ų | 81 | 78.6 Ų | 78.6 | 53% | 0.526 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 144.1 | 173.3 | 23.8 | -31.3 | 0 | 0 | 0 | 110.4 | D1298 | P1296-D1298 PolarHBondContact O-N 3.5Å; P1296-D1298 VanDerWaalsContact O-N 3.12Å |
| 1297 | D | 59.7 | Low | 61.5 | Low | 123 Ų | 123 | 82.1 Ų | 82.1 | 66% | 0.658 | 48% | 0.478 | S | S | * | . | trans | -68.5 | 106.9 | 173.6 | -80.8 | -41 | 0 | 0 | 0 | 109.3 | N1299 | D1297-N1299 PolarHBondContact O-N 3.31Š| ||
| 1298 | D | 54.5 | Low | 58.7 | Low | 85 Ų | 85 | 94.1 Ų | 94.1 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | trans | -72.3 | 2.3 | 175 | -84.9 | -4 | 0 | 0 | 0 | 112.5 | R1174 R1280 P1296 | R1174-D1298 IonicContact CZ-OD2 3.81Å; R1174-D1298 IonicContact NH1-OD2 2.74Å; R1174-D1298 PolarHBondContact NH1-OD2 3.01Å; R1174-D1298 IonicContact NH2-OD1 3.26Å; R1174-D1298 IonicContact NH2-OD2 3.7Å; R1174-D1298 PolarHBondContact NH2-OD2 3.22Å; R1280-D1298 IonicContact NE-OD2 3.62Å; P1296-D1298 PolarHBondContact O-N 3.5Å; P1296-D1298 VanDerWaalsContact O-N 3.12Å | ||
| 1299 | N | 48.9 | Very low | 56.3 | Low | 119 Ų | 119 | 99.9 Ų | 99.9 | 64% | 0.636 | 55% | 0.55 | S | S | * | . | trans | -91.1 | 103.9 | -176.9 | -76.6 | -15.7 | 0 | 0 | 0 | 111.6 | D1297 S1301 | D1297-N1299 PolarHBondContact O-N 3.31Å; N1299-S1301 PolarHBondContact O-N 3.18Å; N1299-S1301 VanDerWaalsContact O-N 3.08Å | ||
| 1300 | E | 41 | Very low | 54 | Low | 209 Ų | 209 | 104.7 Ų | 104.7 | 98% | 0.977 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -66 | 5.9 | 160.5 | -72.3 | -178.6 | 158.2 | 0 | 0 | 113.2 | ||
| 1301 | S | 37.7 | Very low | 52.1 | Low | 89 Ų | 89 | 111.6 Ų | 111.6 | 62% | 0.622 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -134.5 | 106.4 | -173.9 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | N1299 | N1299-S1301 PolarHBondContact O-N 3.18Å; N1299-S1301 VanDerWaalsContact O-N 3.08Å |
| 1302 | G | 32.3 | Very low | 51 | Low | 72 Ų | 72 | 113.2 Ų | 113.2 | 74% | 0.742 | 62% | 0.617 | S | S | * | * | trans | 83.6 | 89.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | E1304 | G1302-E1304 PolarHBondContact O-N 3.29Å; G1302-E1304 VanDerWaalsContact O-N 3.1Å | ||
| 1303 | A | 31.9 | Very low | 50.9 | Low | 112 Ų | 112 | 116.5 Ų | 116.5 | 93% | 0.926 | 63% | 0.625 | S | S | * | * | trans | -75.4 | 23.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1304 | E | 33.5 | Very low | 51.2 | Low | 166 Ų | 166 | 115.8 Ų | 115.8 | 78% | 0.776 | 62% | 0.62 | S | S | * | * | trans | -112.1 | 112.2 | -170.4 | -68.5 | -179.7 | 176 | 0 | 0 | 110.9 | G1302 | G1302-E1304 PolarHBondContact O-N 3.29Å; G1302-E1304 VanDerWaalsContact O-N 3.1Å | ||
| 1305 | N | 33.9 | Very low | 52 | Low | 152 Ų | 152 | 113.2 Ų | 113.2 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | trans | 88.7 | 23.3 | 162.2 | -52.3 | -38.1 | 0 | 0 | 0 | 120.1 | A1307 | N1305-A1307 PolarHBondContact O-N 3.36Š| ||
| 1306 | L | 37.8 | Very low | 52.8 | Low | 148 Ų | 148 | 113.6 Ų | 113.6 | 78% | 0.775 | 61% | 0.613 | S | S | * | * | trans | -72.6 | 95.6 | 146 | -81.9 | 146.9 | 0 | 0 | 0 | 106 | ||||
| 1307 | A | 34.1 | Very low | 54.3 | Low | 74 Ų | 74 | 109.8 Ų | 109.8 | 61% | 0.612 | 59% | 0.588 | S | S | * | * | trans | -41.1 | 156.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | N1305 E1309 | N1305-A1307 PolarHBondContact O-N 3.36Å; A1307-E1309 PolarHBondContact O-N 3.41Å | ||
| 1308 | R | 34.8 | Very low | 56 | Low | 256 Ų | 256 | 104 Ų | 104 | 97% | 0.966 | 56% | 0.557 | S | S | * | * | trans | -54.6 | 47.4 | 173.5 | -70.4 | 167.7 | 144.6 | 178.3 | -6.8 | 113.9 | T1310 | R1308-T1310 PolarHBondContact O-N 2.86Å; R1308-T1310 VanDerWaalsContact O-N 3.12Å | ||
| 1309 | E | 42.5 | Very low | 57.9 | Low | 125 Ų | 125 | 102.1 Ų | 102.1 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | trans | -61.1 | 112.8 | 161.4 | -73.9 | -170.7 | -176.2 | 0 | 0 | 104.9 | A1307 K1311 K1326 | A1307-E1309 PolarHBondContact O-N 3.41Å; E1309-K1311 PolarHBondContact O-N 2.87Å; E1309-K1326 IonicContact OE2-NZ 3.02Å; E1309-K1326 PolarHBondContact OE2-NZ 2.82Å | ||
| 1310 | T | 46.3 | Very low | 60.1 | Low | 101 Ų | 101 | 96.5 Ų | 96.5 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | trans | -45.5 | 115.3 | 178.2 | 31.9 | 0 | 0 | 0 | 0 | 108.9 | R1308 E1312 | R1308-T1310 PolarHBondContact O-N 2.86Å; R1308-T1310 VanDerWaalsContact O-N 3.12Å; T1310-E1312 VanDerWaalsContact CB-OE1 3.24Å; T1310-E1312 WeakPolarHBondContact CB-OE1 3.37Å; T1310-E1312 PolarHBondContact O-N 3.15Å; T1310-E1312 PolarHBondContact OG1-OE1 3.29Å | ||
| 1311 | K | 52.4 | Low | 62.7 | Low | 155 Ų | 155 | 86.6 Ų | 86.6 | 67% | 0.674 | 47% | 0.47 | S | S | * | . | trans | -63.4 | 99.9 | 172.4 | -71.2 | -172.2 | 176 | -174.7 | 0 | 106.3 | F1294 E1309 | F1294-K1311 HydrophobicContact CD1-CB 3.85Å; F1294-K1311 HydrophobicContact CD1-CG 4.5Å; F1294-K1311 HydrophobicContact CD2-CB 4.45Å; F1294-K1311 HydrophobicContact CD2-CD 4.38Å; F1294-K1311 HydrophobicContact CE1-CB 3.39Å; F1294-K1311 HydrophobicContact CE1-CG 4.47Å; F1294-K1311 WeakPolarHBondContact CE1-O 2.99Å; F1294-K1311 HydrophobicContact CE2-CB 4Å; F1294-K1311 HydrophobicContact CG-CB 4.38Å; F1294-K1311 HydrophobicContact CG-CD 4.36Å; F1294-K1311 VanDerWaalsContact CZ-C 3.46Å; F1294-K1311 HydrophobicContact CZ-CB 3.46Å; F1294-K1311 VanDerWaalsContact CZ-CB 3.46Å; F1294-K1311 WeakPolarHBondContact CZ-O 3.38Å; E1309-K1311 PolarHBondContact O-N 2.87Å | ||
| 1312 | E | 66.1 | Low | 65.4 | Low | 103 Ų | 103 | 82.6 Ų | 82.6 | 48% | 0.481 | 44% | 0.442 | S | S | . | . | trans | -115.2 | 114.4 | -176.7 | -75.6 | 173.3 | -159.4 | 0 | 0 | 109.8 | T1310 | T1310-E1312 VanDerWaalsContact CB-OE1 3.24Å; T1310-E1312 WeakPolarHBondContact CB-OE1 3.37Å; T1310-E1312 PolarHBondContact O-N 3.15Å; T1310-E1312 PolarHBondContact OG1-OE1 3.29Å | ||
| 1313 | Y | 80.4 | Confident | 68.3 | Low | 129 Ų | 129 | 80.9 Ų | 80.9 | 51% | 0.506 | 42% | 0.415 | S | S | . | . | trans | -80.8 | 156.9 | 159.7 | 58 | -94.2 | 0 | 0 | 0 | 108.9 | N1292 F1294 | N1292-Y1313 HydrophobicContact CB-CD2 3.61Å; N1292-Y1313 HydrophobicContact CB-CE2 3.96Å; N1292-Y1313 HydrophobicContact CB-CG 4.12Å; N1292-Y1313 WeakPolarHBondContact O-CD1 3.29Å; F1294-Y1313 HydrophobicContact CE1-CD1 4.31Å; F1294-Y1313 HydrophobicContact CE2-CD1 4.47Å; F1294-Y1313 AromaticContact CZ-CD1 3.84Å; F1294-Y1313 HydrophobicContact CZ-CD1 3.84Å; F1294-Y1313 HydrophobicContact CZ-CE1 4.49Å | ||
| 1314 | T | 89.8 | Confident | 71.2 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 17% | 0.166 | 37% | 0.371 | C | S | . | . | trans | -154.4 | 140.1 | -174.2 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | I1288 W1289 S1316 L1319 A1320 | I1288-T1314 HydrophobicContact CG2-CG2 4.26Å; I1288-T1314 PolarHBondContact O-N 3.29Å; W1289-T1314 WeakPolarHBondContact CA-O 3.46Å; T1314-S1316 PolarHBondContact O-N 2.98Å; T1314-S1316 PolarHBondContact OG1-N 3Å; T1314-L1319 HydrophobicContact CG2-CB 3.66Å; T1314-A1320 HydrophobicContact CG2-CB 3.97Å | ||
| 1315 | N | 91.4 | Very high | 74.1 | Confident | 36 Ų | 36 | 68.7 Ų | 68.7 | 19% | 0.193 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -75.2 | -11 | 174.4 | -60.8 | -26.2 | 0 | 0 | 0 | 112.2 | W1289 N1292 L1317 V1346 A1347 L1349 | W1289-N1315 PolarHBondContact NE1-O 3.43Å; N1292-N1315 PolarHBondContact ND2-OD1 3.06Å; N1292-N1315 PolarHBondContact OD1-OD1 3.41Å; N1292-N1315 VanDerWaalsContact OD1-OD1 3.09Å; N1315-L1317 PolarHBondContact O-N 3.13Å; N1315-V1346 CarbonylContact O-C 3.47Å; N1315-V1346 WeakPolarHBondContact O-CA 3.46Å; N1315-A1347 HydrophobicContact CB-CB 4.22Å; N1315-A1347 PolarHBondContact O-N 3.19Å; N1315-L1349 WeakPolarHBondContact ND2-CD2 3.46Å; N1315-L1349 VanDerWaalsContact ND2-CG 3.3Å; N1315-L1349 WeakPolarHBondContact ND2-CG 3.39Å |
| 1316 | S | 93.9 | Very high | 76.8 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -79.3 | 120.9 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | T1314 L1318 L1319 A1320 | T1314-S1316 PolarHBondContact O-N 2.98Å; T1314-S1316 PolarHBondContact OG1-N 3Å; S1316-L1318 PolarHBondContact O-N 3.21Å; S1316-L1319 PolarHBondContact O-N 3.4Å; S1316-L1319 PolarHBondContact OG-N 3.35Å; S1316-A1320 VanDerWaalsContact O-CB 3.32Å; S1316-A1320 WeakPolarHBondContact O-CB 3.46Å; S1316-A1320 PolarHBondContact O-N 3.06Å |
| 1317 | L | 96.6 | Very high | 79.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56 | -41.4 | 176.4 | 174 | 62.3 | 0 | 0 | 0 | 111.4 | I1231 N1265 V1267 L1285 W1289 N1315 A1320 L1321 V1345 | I1231-L1317 HydrophobicContact CG2-CD2 4.15Å; N1265-L1317 HydrophobicContact CB-CD2 4.49Å; V1267-L1317 HydrophobicContact CG2-CD1 4.41Å; V1267-L1317 HydrophobicContact CG2-CD2 4.14Å; L1285-L1317 HydrophobicContact CD1-CD1 4.13Å; L1285-L1317 HydrophobicContact CD2-CD1 4.48Å; W1289-L1317 HydrophobicContact CD2-CB 4.4Å; W1289-L1317 HydrophobicContact CD2-CD1 3.9Å; W1289-L1317 HydrophobicContact CE3-CD1 3.78Å; W1289-L1317 HydrophobicContact CH2-CD1 4.02Å; W1289-L1317 HydrophobicContact CZ2-CB 3.97Å; W1289-L1317 HydrophobicContact CZ2-CD1 4.16Å; W1289-L1317 HydrophobicContact CZ2-CG 4.45Å; W1289-L1317 HydrophobicContact CZ3-CD1 3.85Å; N1315-L1317 PolarHBondContact O-N 3.13Å; L1317-A1320 PolarHBondContact O-N 3.13Å; L1317-L1321 HydrophobicContact CD1-CD1 4.47Å; L1317-L1321 HydrophobicContact CD1-CG 4.4Å; L1317-L1321 HydrophobicContact CG-CD1 4.29Å; L1317-L1321 WeakPolarHBondContact O-CB 3.49Å; L1317-L1321 VanDerWaalsContact O-CG 3.3Å; L1317-L1321 WeakPolarHBondContact O-CG 3.4Å; L1317-L1321 PolarHBondContact O-N 3.01Å; L1317-V1345 HydrophobicContact CB-CB 4.17Å; L1317-V1345 WeakPolarHBondContact CB-O 3.41Å; L1317-V1345 HydrophobicContact CD2-CB 4.11Å; L1317-V1345 PolarHBondContact N-O 2.99Å |
| 1318 | L | 96.6 | Very high | 82.3 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.7 | -38.9 | -174.7 | -56.6 | -173.9 | 0 | 0 | 0 | 112.2 | P1130 T1132 S1316 L1321 N1322 S1340 P1344 | P1130-L1318 HydrophobicContact CB-CB 3.58Å; P1130-L1318 HydrophobicContact CB-CD1 4.17Å; T1132-L1318 HydrophobicContact CG2-CD1 4.1Å; S1316-L1318 PolarHBondContact O-N 3.21Å; L1318-L1321 HydrophobicContact CD2-CD1 4.35Å; L1318-L1321 PolarHBondContact O-N 3.08Å; L1318-N1322 PolarHBondContact O-N 3.19Å; L1318-N1322 PolarHBondContact O-OD1 3.49Å; L1318-S1340 WeakPolarHBondContact CD2-OG 3.29Å; L1318-P1344 HydrophobicContact CD1-CB 4.05Å; L1318-P1344 HydrophobicContact CD1-CG 4.14Å |
| 1319 | L | 94.1 | Very high | 85 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 25% | 0.246 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.1 | -41.5 | 173.4 | -67.6 | 176.7 | 0 | 0 | 0 | 110.6 | P1130 T1314 S1316 L1321 N1322 H1323 | P1130-L1319 HydrophobicContact CB-CD2 3.94Å; P1130-L1319 HydrophobicContact CB-CG 4.14Å; P1130-L1319 HydrophobicContact CG-CD2 3.89Å; P1130-L1319 HydrophobicContact CG-CG 4.34Å; T1314-L1319 HydrophobicContact CG2-CB 3.66Å; S1316-L1319 PolarHBondContact O-N 3.4Å; S1316-L1319 PolarHBondContact OG-N 3.35Å; L1319-L1321 VanDerWaalsContact C-N 3.27Å; L1319-L1321 PolarHBondContact O-N 2.79Å; L1319-N1322 WeakPolarHBondContact O-CA 3.29Å; L1319-N1322 VanDerWaalsContact O-CB 3.31Å; L1319-N1322 WeakPolarHBondContact O-CB 3.44Å; L1319-N1322 PolarHBondContact O-N 3.26Å; L1319-H1323 PolarHBondContact O-CD2 3.25Å; L1319-H1323 PolarHBondContact O-N 3.25Å; L1319-H1323 VanDerWaalsContact O-N 3.09Å |
| 1320 | A | 95.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.2 | -37.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L1285 I1288 W1289 T1314 S1316 L1317 N1322 H1323 A1324 | L1285-A1320 HydrophobicContact CD1-CB 3.8Å; I1288-A1320 HydrophobicContact CB-CB 4.46Å; I1288-A1320 HydrophobicContact CG2-CB 3.87Å; W1289-A1320 HydrophobicContact CB-CB 3.62Å; W1289-A1320 HydrophobicContact CG-CB 4.15Å; T1314-A1320 HydrophobicContact CG2-CB 3.97Å; S1316-A1320 VanDerWaalsContact O-CB 3.32Å; S1316-A1320 WeakPolarHBondContact O-CB 3.46Å; S1316-A1320 PolarHBondContact O-N 3.06Å; L1317-A1320 PolarHBondContact O-N 3.13Å; A1320-N1322 PolarHBondContact O-N 3.35Å; A1320-H1323 PolarHBondContact O-N 2.83Å; A1320-A1324 WeakPolarHBondContact O-CB 3.33Å; A1320-A1324 PolarHBondContact O-N 3.3Å |
| 1321 | L | 95.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 171.2 | -78.5 | 169.7 | 0 | 0 | 0 | 112.3 | V1267 L1285 L1317 L1318 L1319 H1323 A1324 R1325 I1338 | V1267-L1321 HydrophobicContact CG1-CD1 4.44Å; V1267-L1321 HydrophobicContact CG1-CD2 3.9Å; V1267-L1321 HydrophobicContact CG2-CD1 3.96Å; L1285-L1321 HydrophobicContact CD1-CD2 3.84Å; L1285-L1321 HydrophobicContact CD1-CG 3.87Å; L1285-L1321 HydrophobicContact CD2-CD2 3.69Å; L1285-L1321 HydrophobicContact CD2-CG 4.46Å; L1285-L1321 HydrophobicContact CG-CD2 4.37Å; L1317-L1321 HydrophobicContact CD1-CD1 4.47Å; L1317-L1321 HydrophobicContact CD1-CG 4.4Å; L1317-L1321 HydrophobicContact CG-CD1 4.29Å; L1317-L1321 WeakPolarHBondContact O-CB 3.49Å; L1317-L1321 VanDerWaalsContact O-CG 3.3Å; L1317-L1321 WeakPolarHBondContact O-CG 3.4Å; L1317-L1321 PolarHBondContact O-N 3.01Å; L1318-L1321 HydrophobicContact CD2-CD1 4.35Å; L1318-L1321 PolarHBondContact O-N 3.08Å; L1319-L1321 VanDerWaalsContact C-N 3.27Å; L1319-L1321 PolarHBondContact O-N 2.79Å; L1321-H1323 VanDerWaalsContact C-N 3.34Å; L1321-H1323 PolarHBondContact O-N 3.11Å; L1321-A1324 PolarHBondContact O-N 3.16Å; L1321-R1325 VanDerWaalsContact O-CG 3.25Å; L1321-R1325 WeakPolarHBondContact O-CG 3.42Å; L1321-R1325 PolarHBondContact O-N 3.32Å; L1321-I1338 HydrophobicContact CD2-CG2 4.01Å |
| 1322 | N | 94.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.032 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 177 | -69.4 | -11.5 | 0 | 0 | 0 | 111.7 | R1127 T1129 L1318 L1319 A1320 R1325 | R1127-N1322 VanDerWaalsContact O-CB 3.26Å; R1127-N1322 WeakPolarHBondContact O-CB 3.47Å; R1127-N1322 PolarHBondContact O-ND2 2.63Å; T1129-N1322 VanDerWaalsContact C-ND2 3.29Å; T1129-N1322 PolarHBondContact O-ND2 3.04Å; L1318-N1322 PolarHBondContact O-N 3.19Å; L1318-N1322 PolarHBondContact O-OD1 3.49Å; L1319-N1322 WeakPolarHBondContact O-CA 3.29Å; L1319-N1322 VanDerWaalsContact O-CB 3.31Å; L1319-N1322 WeakPolarHBondContact O-CB 3.44Å; L1319-N1322 PolarHBondContact O-N 3.26Å; A1320-N1322 PolarHBondContact O-N 3.35Å; N1322-R1325 PolarHBondContact OD1-NH1 2.69Å |
| 1323 | H | 92.6 | Very high | 93.3 | Very high | 36 Ų | 36 | 33.5 Ų | 33.5 | 17% | 0.167 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.9 | -45.3 | 175.3 | -62.7 | -73.1 | 0 | 0 | 0 | 111.9 | I1288 L1319 A1320 L1321 R1325 K1326 | I1288-H1323 HydrophobicContact CD1-CB 3.73Å; I1288-H1323 HydrophobicContact CG2-CB 4.47Å; L1319-H1323 PolarHBondContact O-CD2 3.25Å; L1319-H1323 PolarHBondContact O-N 3.25Å; L1319-H1323 VanDerWaalsContact O-N 3.09Å; A1320-H1323 PolarHBondContact O-N 2.83Å; L1321-H1323 VanDerWaalsContact C-N 3.34Å; L1321-H1323 PolarHBondContact O-N 3.11Å; H1323-R1325 VanDerWaalsContact C-N 3.32Å; H1323-R1325 PolarHBondContact O-N 2.8Å; H1323-K1326 VanDerWaalsContact O-CB 3.28Å; H1323-K1326 WeakPolarHBondContact O-CB 3.48Å; H1323-K1326 PolarHBondContact O-N 3.07Å |
| 1324 | A | 94 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.2 | -36.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1281 A1284 L1285 A1320 L1321 K1326 H1327 | M1281-A1324 HydrophobicContact CG-CB 4.12Å; M1281-A1324 HydrophobicContact SD-CB 4.25Å; A1284-A1324 HydrophobicContact CB-CB 4.17Å; L1285-A1324 HydrophobicContact CB-CB 3.76Å; L1285-A1324 HydrophobicContact CD1-CB 4.35Å; A1320-A1324 WeakPolarHBondContact O-CB 3.33Å; A1320-A1324 PolarHBondContact O-N 3.3Å; L1321-A1324 PolarHBondContact O-N 3.16Å; A1324-K1326 PolarHBondContact O-N 3.37Å; A1324-H1327 WeakPolarHBondContact O-CB 3.35Å; A1324-H1327 PolarHBondContact O-N 3.08Å |
| 1325 | R | 94.1 | Very high | 94.2 | Very high | 22 Ų | 22 | 26.1 Ų | 26.1 | 8% | 0.083 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.9 | -27.7 | 174.8 | -73.7 | 174.2 | -172.9 | 131.7 | 0.3 | 112.9 | H1121 L1321 N1322 H1323 H1327 C1328 G1335 I1338 | H1121-R1325 PolarHBondContact CD2-NH2 2.81Å; H1121-R1325 PolarHBondContact NE2-NH2 3.48Å; L1321-R1325 VanDerWaalsContact O-CG 3.25Å; L1321-R1325 WeakPolarHBondContact O-CG 3.42Å; L1321-R1325 PolarHBondContact O-N 3.32Å; N1322-R1325 PolarHBondContact OD1-NH1 2.69Å; H1323-R1325 VanDerWaalsContact C-N 3.32Å; H1323-R1325 PolarHBondContact O-N 2.8Å; R1325-H1327 PolarHBondContact O-N 3.03Å; R1325-C1328 WeakPolarHBondContact O-CB 3.39Å; R1325-C1328 PolarHBondContact O-N 3.33Å; R1325-G1335 VanDerWaalsContact CD-O 3.27Å; R1325-G1335 WeakPolarHBondContact CD-O 3.36Å; R1325-G1335 WeakPolarHBondContact CG-O 3.48Å; R1325-G1335 PolarHBondContact NE-O 3.17Å; R1325-I1338 VanDerWaalsContact CZ-O 3.31Å; R1325-I1338 PolarHBondContact NE-O 2.99Å; R1325-I1338 PolarHBondContact NH2-O 3.02Å |
| 1326 | K | 91.2 | Very high | 94.4 | Very high | 71 Ų | 71 | 24.4 Ų | 24.4 | 31% | 0.309 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -21.9 | 176.7 | -60.6 | -177.5 | 177.4 | -177.4 | 0 | 112.8 | E1309 H1323 A1324 K1331 | E1309-K1326 IonicContact OE2-NZ 3.02Å; E1309-K1326 PolarHBondContact OE2-NZ 2.82Å; H1323-K1326 VanDerWaalsContact O-CB 3.28Å; H1323-K1326 WeakPolarHBondContact O-CB 3.48Å; H1323-K1326 PolarHBondContact O-N 3.07Å; A1324-K1326 PolarHBondContact O-N 3.37Å; K1326-K1331 WeakPolarHBondContact O-CE 3.42Å |
| 1327 | H | 92.1 | Very high | 94.5 | Very high | 67 Ų | 67 | 23.3 Ų | 23.3 | 31% | 0.31 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -6.9 | 177.9 | -69.1 | -90.1 | 0 | 0 | 0 | 113.7 | A1284 P1295 A1324 R1325 | A1284-H1327 HydrophobicContact CB-CB 3.88Å; P1295-H1327 WeakPolarHBondContact CG-CE1 3.49Å; P1295-H1327 WeakPolarHBondContact CG-NE2 3.09Å; A1324-H1327 WeakPolarHBondContact O-CB 3.35Å; A1324-H1327 PolarHBondContact O-N 3.08Å; R1325-H1327 PolarHBondContact O-N 3.03Å |
| 1328 | C | 93.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.02 | 11% | 0.105 | C | C | . | . | trans | -64 | 136.1 | 167.7 | -64.1 | 0 | 0 | 0 | 0 | 109.9 | R1325 L1330 K1331 | R1325-C1328 WeakPolarHBondContact O-CB 3.39Å; R1325-C1328 PolarHBondContact O-N 3.33Å; C1328-L1330 VanDerWaalsContact C-N 3.3Å; C1328-K1331 VanDerWaalsContact O-CG 3.25Å; C1328-K1331 WeakPolarHBondContact O-CG 3.4Å | ||
| 1329 | K | 93.2 | Very high | 94.3 | Very high | 84 Ų | 84 | 23.2 Ų | 23.2 | 37% | 0.365 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -64.4 | -38.4 | 169.8 | -175.5 | 175.3 | 175 | -172 | 0 | 110.8 | W1000 F1004 D1277 | W1000-K1329 HydrophobicContact CE3-CD 4.45Å; W1000-K1329 HydrophobicContact CH2-CD 3.71Å; W1000-K1329 HydrophobicContact CZ3-CD 3.64Å; W1000-K1329 HydrophobicContact CZ3-CG 4.41Å; F1004-K1329 HydrophobicContact CE1-CG 4.44Å; F1004-K1329 VanDerWaalsContact CZ-CE 3.42Å; D1277-K1329 WeakPolarHBondContact OD1-CA 3.45Å; D1277-K1329 WeakPolarHBondContact OD1-CB 3.36Å; D1277-K1329 PolarHBondContact OD1-N 3.02Å |
| 1330 | L | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -103 | 83.1 | 172 | -53.5 | 172.6 | 0 | 0 | 0 | 108.5 | W1000 R1003 F1004 D1007 D1277 C1328 F1332 L1333 T1334 G1335 | W1000-L1330 HydrophobicContact CZ3-CD2 4.46Å; R1003-L1330 HydrophobicContact CB-CD1 3.98Å; R1003-L1330 HydrophobicContact CB-CD2 4.34Å; R1003-L1330 HydrophobicContact CG-CD1 4.5Å; R1003-L1330 VanDerWaalsContact NH2-CD1 3.27Å; F1004-L1330 HydrophobicContact CD1-CD2 3.65Å; F1004-L1330 HydrophobicContact CE1-CD2 3.89Å; F1004-L1330 HydrophobicContact CG-CD2 4.47Å; D1007-L1330 HydrophobicContact CB-CB 4.35Å; D1007-L1330 HydrophobicContact CB-CD2 4.01Å; D1007-L1330 WeakPolarHBondContact OD1-CA 3.21Å; D1007-L1330 WeakPolarHBondContact OD1-CB 3.46Å; D1277-L1330 PolarHBondContact OD2-N 3.1Å; D1277-L1330 VanDerWaalsContact OD2-N 3.1Å; C1328-L1330 VanDerWaalsContact C-N 3.3Å; L1330-F1332 VanDerWaalsContact C-N 3.26Å; L1330-F1332 PolarHBondContact O-N 3.42Å; L1330-L1333 HydrophobicContact CB-CB 4.21Å; L1330-T1334 WeakPolarHBondContact O-CA 3.35Å; L1330-T1334 WeakPolarHBondContact O-CB 3.48Å; L1330-T1334 PolarHBondContact O-N 2.92Å; L1330-G1335 PolarHBondContact O-N 2.99Å |
| 1331 | K | 93.7 | Very high | 94.5 | Very high | 112 Ų | 112 | 21.4 Ų | 21.4 | 49% | 0.487 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -35 | -170.8 | -66.2 | -179 | -179.8 | -178.8 | 0 | 112.9 | D1007 K1326 C1328 G1335 | D1007-K1331 PolarHBondContact OD1-N 3.04Å; K1326-K1331 WeakPolarHBondContact O-CE 3.42Å; C1328-K1331 VanDerWaalsContact O-CG 3.25Å; C1328-K1331 WeakPolarHBondContact O-CG 3.4Å; K1331-G1335 VanDerWaalsContact O-CA 3.24Å; K1331-G1335 WeakPolarHBondContact O-CA 3.2Å; K1331-G1335 PolarHBondContact O-N 2.93Å |
| 1332 | F | 95.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 21.4 Ų | 21.4 | 15% | 0.149 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -31.3 | -175.2 | -57.6 | -74.2 | 0 | 0 | 0 | 111.8 | D1007 M1010 K1011 L1014 L1330 A1336 | D1007-F1332 WeakPolarHBondContact OD1-CA 3.42Å; D1007-F1332 PolarHBondContact OD1-N 3.04Å; M1010-F1332 HydrophobicContact CB-CB 4.24Å; M1010-F1332 HydrophobicContact CG-CB 4.17Å; M1010-F1332 WeakPolarHBondContact CG-O 3.36Å; K1011-F1332 HydrophobicContact CB-CB 4.19Å; K1011-F1332 HydrophobicContact CB-CD1 4.1Å; K1011-F1332 HydrophobicContact CB-CD2 3.63Å; K1011-F1332 HydrophobicContact CB-CE1 4.44Å; K1011-F1332 HydrophobicContact CB-CE2 4.01Å; K1011-F1332 HydrophobicContact CB-CG 3.68Å; K1011-F1332 HydrophobicContact CB-CZ 4.4Å; K1011-F1332 HydrophobicContact CD-CD2 4.09Å; K1011-F1332 HydrophobicContact CD-CE1 4.4Å; K1011-F1332 HydrophobicContact CD-CE2 3.56Å; K1011-F1332 HydrophobicContact CD-CZ 3.74Å; K1011-F1332 HydrophobicContact CG-CD1 3.97Å; K1011-F1332 HydrophobicContact CG-CD2 3.83Å; K1011-F1332 HydrophobicContact CG-CE1 3.83Å; K1011-F1332 HydrophobicContact CG-CE2 3.68Å; K1011-F1332 HydrophobicContact CG-CG 3.97Å; K1011-F1332 HydrophobicContact CG-CZ 3.68Å; L1014-F1332 HydrophobicContact CD1-CB 4.41Å; L1014-F1332 HydrophobicContact CD1-CD1 4Å; L1330-F1332 VanDerWaalsContact C-N 3.26Å; L1330-F1332 PolarHBondContact O-N 3.42Å; F1332-A1336 WeakPolarHBondContact O-CB 3.37Å |
| 1333 | L | 95.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -49.9 | -179.5 | -170.9 | 56.5 | 0 | 0 | 0 | 113.1 | N987 R1003 C1006 D1007 M1010 W1271 L1330 | N987-L1333 HydrophobicContact CB-CD1 4.49Å; R1003-L1333 VanDerWaalsContact CZ-CD2 3.43Å; R1003-L1333 VanDerWaalsContact NH2-CD2 3.32Å; C1006-L1333 HydrophobicContact CB-CD2 3.48Å; C1006-L1333 VanDerWaalsContact CB-CD2 3.48Å; D1007-L1333 HydrophobicContact CB-CB 4.14Å; D1007-L1333 PolarHBondContact OD1-N 2.95Å; M1010-L1333 HydrophobicContact CB-CD1 4.49Å; M1010-L1333 HydrophobicContact CE-CD1 4Å; W1271-L1333 WeakPolarHBondContact CZ2-O 3.44Å; W1271-L1333 PolarHBondContact NE1-O 2.88Å; L1330-L1333 HydrophobicContact CB-CB 4.21Å |
| 1334 | T | 94.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -49.4 | 174.5 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | V1273 D1277 L1330 A1336 S1337 I1338 | V1273-T1334 HydrophobicContact CB-CG2 4.18Å; V1273-T1334 HydrophobicContact CG1-CG2 4.13Å; D1277-T1334 HydrophobicContact CB-CG2 4.08Å; D1277-T1334 WeakPolarHBondContact OD2-CB 3.11Å; D1277-T1334 PolarHBondContact OD2-OG1 2.94Å; L1330-T1334 WeakPolarHBondContact O-CA 3.35Å; L1330-T1334 WeakPolarHBondContact O-CB 3.48Å; L1330-T1334 PolarHBondContact O-N 2.92Å; T1334-A1336 PolarHBondContact O-N 3.26Å; T1334-S1337 WeakPolarHBondContact O-CB 3.48Å; T1334-S1337 PolarHBondContact O-N 2.84Å; T1334-S1337 PolarHBondContact O-OG 3.16Å; T1334-I1338 HydrophobicContact CG2-CD1 4.37Å; T1334-I1338 WeakPolarHBondContact O-CD1 3.34Å |
| 1335 | G | 95.4 | Very high | 95 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -58.2 | -44.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1325 L1330 K1331 S1337 I1338 | R1325-G1335 VanDerWaalsContact CD-O 3.27Å; R1325-G1335 WeakPolarHBondContact CD-O 3.36Å; R1325-G1335 WeakPolarHBondContact CG-O 3.48Å; R1325-G1335 PolarHBondContact NE-O 3.17Å; L1330-G1335 PolarHBondContact O-N 2.99Å; K1331-G1335 VanDerWaalsContact O-CA 3.24Å; K1331-G1335 WeakPolarHBondContact O-CA 3.2Å; K1331-G1335 PolarHBondContact O-N 2.93Å; G1335-S1337 VanDerWaalsContact C-N 3.27Å; G1335-S1337 PolarHBondContact O-N 3.26Å; G1335-I1338 PolarHBondContact O-N 2.66Å |
| 1336 | A | 95.9 | Very high | 95 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -75.6 | -11.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1014 P1119 H1121 A1122 W1271 F1332 T1334 I1338 | L1014-A1336 HydrophobicContact CD1-CB 4.37Å; P1119-A1336 HydrophobicContact CB-CB 4.08Å; H1121-A1336 PolarHBondContact CE1-O 3.15Å; H1121-A1336 PolarHBondContact NE2-O 3.41Å; A1122-A1336 HydrophobicContact CB-CB 3.43Å; A1122-A1336 VanDerWaalsContact CB-CB 3.43Å; W1271-A1336 HydrophobicContact CH2-CB 4.39Å; W1271-A1336 HydrophobicContact CZ2-CB 4.34Å; F1332-A1336 WeakPolarHBondContact O-CB 3.37Å; T1334-A1336 PolarHBondContact O-N 3.26Å; A1336-I1338 VanDerWaalsContact C-N 3.31Å |
| 1337 | S | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -74.1 | -28.3 | 173.7 | 80.8 | 0 | 0 | 0 | 0 | 111.6 | L1269 L1270 W1271 V1273 T1334 G1335 | L1269-S1337 CarbonylContact C-O 3.43Å; L1269-S1337 VanDerWaalsContact CA-O 3.3Å; L1269-S1337 WeakPolarHBondContact CA-O 3.39Å; L1270-S1337 WeakPolarHBondContact CG-O 3.41Å; L1270-S1337 PolarHBondContact N-O 3.45Å; W1271-S1337 VanDerWaalsContact CE2-CB 3.44Å; V1273-S1337 WeakPolarHBondContact CG1-OG 3.41Å; T1334-S1337 WeakPolarHBondContact O-CB 3.48Å; T1334-S1337 PolarHBondContact O-N 2.84Å; T1334-S1337 PolarHBondContact O-OG 3.16Å; G1335-S1337 VanDerWaalsContact C-N 3.27Å; G1335-S1337 PolarHBondContact O-N 3.26Å |
| 1338 | I | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 120.5 | -171.6 | -61.2 | 145.9 | 0 | 0 | 0 | 109.2 | H1121 V1267 A1268 L1269 M1281 L1321 R1325 T1334 G1335 A1336 | H1121-I1338 PolarHBondContact NE2-O 3.33Å; V1267-I1338 HydrophobicContact CG1-CG2 3.88Å; A1268-I1338 WeakPolarHBondContact O-CA 3.47Å; L1269-I1338 HydrophobicContact CD2-CG1 4.3Å; L1269-I1338 HydrophobicContact CG-CG1 4.07Å; M1281-I1338 HydrophobicContact CB-CD1 4.16Å; M1281-I1338 HydrophobicContact CE-CD1 3.51Å; M1281-I1338 HydrophobicContact CE-CG1 3.84Å; M1281-I1338 HydrophobicContact CE-CG2 3.92Å; M1281-I1338 HydrophobicContact CG-CD1 3.57Å; M1281-I1338 HydrophobicContact SD-CD1 3.87Å; M1281-I1338 HydrophobicContact SD-CG2 4.1Å; L1321-I1338 HydrophobicContact CD2-CG2 4.01Å; R1325-I1338 VanDerWaalsContact CZ-O 3.31Å; R1325-I1338 PolarHBondContact NE-O 2.99Å; R1325-I1338 PolarHBondContact NH2-O 3.02Å; T1334-I1338 HydrophobicContact CG2-CD1 4.37Å; T1334-I1338 WeakPolarHBondContact O-CD1 3.34Å; G1335-I1338 PolarHBondContact O-N 2.66Å; A1336-I1338 VanDerWaalsContact C-N 3.31Å |
| 1339 | L | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 147 | -170.8 | 178.9 | 59 | 0 | 0 | 0 | 111.1 | H1121 R1133 V1267 A1268 L1270 Y1341 | H1121-L1339 HydrophobicContact CB-CD1 4.35Å; H1121-L1339 WeakPolarHBondContact ND1-CD1 3.48Å; R1133-L1339 HydrophobicContact CG-CD1 4.1Å; R1133-L1339 HydrophobicContact CG-CD2 4.24Å; R1133-L1339 HydrophobicContact CG-CG 4.43Å; R1133-L1339 VanDerWaalsContact NH1-CD2 3.32Å; V1267-L1339 CarbonylContact C-O 3.46Å; V1267-L1339 WeakPolarHBondContact CA-O 3.3Å; A1268-L1339 PolarHBondContact N-O 3.28Å; A1268-L1339 PolarHBondContact O-N 3.41Å; L1270-L1339 HydrophobicContact CD1-CD2 4.22Å; L1270-L1339 HydrophobicContact CD2-CD2 3.94Å; L1270-L1339 HydrophobicContact CG-CD2 4.24Å; L1339-Y1341 HydrophobicContact CB-CE2 4.15Å; L1339-Y1341 HydrophobicContact CD2-CE1 4.32Å; L1339-Y1341 HydrophobicContact CD2-CE2 3.65Å; L1339-Y1341 WeakPolarHBondContact CD2-OH 3.46Å; L1339-Y1341 HydrophobicContact CG-CD2 4.25Å; L1339-Y1341 HydrophobicContact CG-CE2 3.78Å |
| 1340 | S | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 140.2 | 174.7 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | T1132 R1133 N1265 V1266 L1318 | T1132-S1340 CarbonylContact C-O 3.54Å; T1132-S1340 WeakPolarHBondContact CA-O 3.37Å; T1132-S1340 PolarHBondContact OG1-O 3.09Å; T1132-S1340 PolarHBondContact OG1-OG 3.18Å; R1133-S1340 PolarHBondContact N-O 2.83Å; N1265-S1340 PolarHBondContact ND2-OG 2.97Å; N1265-S1340 PolarHBondContact OD1-OG 3.11Å; V1266-S1340 CarbonylContact O-C 3.52Å; V1266-S1340 WeakPolarHBondContact O-CA 3.39Å; L1318-S1340 WeakPolarHBondContact CD2-OG 3.29Å |
| 1341 | Y | 97.1 | Very high | 89.4 | Confident | 9 Ų | 9 | 34.1 Ų | 34.1 | 4% | 0.035 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.9 | 176.5 | -66.9 | -99.6 | 0 | 0 | 0 | 110.6 | R1133 G1240 V1255 N1265 V1266 L1270 L1339 | R1133-Y1341 HydrophobicContact CB-CD1 3.72Å; R1133-Y1341 HydrophobicContact CB-CE1 4.04Å; R1133-Y1341 HydrophobicContact CB-CG 4.38Å; R1133-Y1341 CarbonylContact O-C 3.49Å; R1133-Y1341 WeakPolarHBondContact O-CA 3.25Å; G1240-Y1341 PolarHBondContact O-OH 2.78Å; V1255-Y1341 VanDerWaalsContact CG1-CB 3.42Å; V1255-Y1341 HydrophobicContact CG1-CD1 3.8Å; V1255-Y1341 HydrophobicContact CG1-CD2 3.86Å; V1255-Y1341 HydrophobicContact CG1-CE1 4.46Å; V1255-Y1341 HydrophobicContact CG1-CG 3.46Å; V1255-Y1341 VanDerWaalsContact CG1-CG 3.46Å; V1255-Y1341 HydrophobicContact CG2-CD2 4.09Å; V1255-Y1341 HydrophobicContact CG2-CE2 4.26Å; N1265-Y1341 CarbonylContact C-O 3.28Å; N1265-Y1341 VanDerWaalsContact CA-O 3.31Å; N1265-Y1341 WeakPolarHBondContact CA-O 3.05Å; V1266-Y1341 PolarHBondContact N-O 2.9Å; V1266-Y1341 PolarHBondContact O-N 3.37Å; L1270-Y1341 WeakPolarHBondContact CD2-OH 3.43Å; L1339-Y1341 HydrophobicContact CB-CE2 4.15Å; L1339-Y1341 HydrophobicContact CD2-CE1 4.32Å; L1339-Y1341 HydrophobicContact CD2-CE2 3.65Å; L1339-Y1341 WeakPolarHBondContact CD2-OH 3.46Å; L1339-Y1341 HydrophobicContact CG-CD2 4.25Å; L1339-Y1341 HydrophobicContact CG-CE2 3.78Å |
| 1342 | G | 96.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 120.5 | -154.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1132 R1133 P1264 | T1132-G1342 WeakPolarHBondContact CG2-O 3.38Å; T1132-G1342 PolarHBondContact OG1-N 3.13Å; T1132-G1342 PolarHBondContact OG1-O 2.59Å; R1133-G1342 PolarHBondContact O-N 3.05Å; P1264-G1342 CarbonylContact O-C 3.49Å; P1264-G1342 WeakPolarHBondContact O-CA 3.16Å |
| 1343 | L | 97.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -77.1 | 150.9 | -179 | -57.2 | -179.8 | 0 | 0 | 0 | 111.7 | W935 L1140 L1143 V1144 W1147 P1151 P1264 N1265 V1345 | W935-L1343 HydrophobicContact CH2-CB 4.27Å; W935-L1343 HydrophobicContact CH2-CD2 4.08Å; W935-L1343 HydrophobicContact CZ3-CD2 3.92Å; L1140-L1343 HydrophobicContact CD1-CD2 3.64Å; L1143-L1343 HydrophobicContact CB-CD1 4.03Å; L1143-L1343 HydrophobicContact CB-CD2 3.88Å; L1143-L1343 HydrophobicContact CB-CG 3.92Å; L1143-L1343 HydrophobicContact CD1-CD2 4.48Å; L1143-L1343 HydrophobicContact CD1-CG 4.32Å; V1144-L1343 HydrophobicContact CG2-CD2 3.93Å; W1147-L1343 HydrophobicContact CB-CD1 3.58Å; W1147-L1343 HydrophobicContact CG-CD1 3.95Å; P1151-L1343 HydrophobicContact CG-CB 4.4Å; P1151-L1343 HydrophobicContact CG-CD1 4.02Å; P1264-L1343 PolarHBondContact O-N 3.23Å; N1265-L1343 PolarHBondContact ND2-O 3.15Å; L1343-V1345 WeakPolarHBondContact O-CG2 3.48Å |
| 1344 | P | 96.9 | Very high | 88.5 | Confident | 9 Ų | 9 | 31.5 Ų | 31.5 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | trans | -54.9 | 138.1 | 160.9 | -25.5 | 36 | 0 | 0 | 0 | 111.6 | W935 P1106 T1132 L1318 | W935-P1344 HydrophobicContact CD2-CG 4.12Å; W935-P1344 HydrophobicContact CH2-CG 4.37Å; W935-P1344 HydrophobicContact CZ2-CB 3.94Å; W935-P1344 HydrophobicContact CZ2-CG 3.73Å; P1106-P1344 HydrophobicContact CB-CB 4.3Å; P1106-P1344 HydrophobicContact CB-CG 3.73Å; P1106-P1344 HydrophobicContact CG-CB 4.42Å; P1106-P1344 HydrophobicContact CG-CG 4.33Å; T1132-P1344 HydrophobicContact CG2-CG 4.34Å; L1318-P1344 HydrophobicContact CD1-CB 4.05Å; L1318-P1344 HydrophobicContact CD1-CG 4.14Å | ||
| 1345 | V | 95.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | trans | -130.3 | 146 | -175 | 175.4 | 0 | 0 | 0 | 0 | 110 | P1151 V1153 I1231 N1265 W1289 L1317 L1343 | P1151-V1345 HydrophobicContact CB-CG2 4.21Å; P1151-V1345 WeakPolarHBondContact O-CG1 3.48Å; V1153-V1345 HydrophobicContact CG2-CG1 4.08Å; I1231-V1345 HydrophobicContact CD1-CG1 4.08Å; I1231-V1345 HydrophobicContact CD1-CG2 4.47Å; I1231-V1345 HydrophobicContact CG1-CB 4.46Å; I1231-V1345 HydrophobicContact CG1-CG1 3.84Å; I1231-V1345 HydrophobicContact CG1-CG2 3.87Å; N1265-V1345 HydrophobicContact CB-CG2 3.58Å; W1289-V1345 HydrophobicContact CZ2-CG1 4.01Å; L1317-V1345 HydrophobicContact CB-CB 4.17Å; L1317-V1345 WeakPolarHBondContact CB-O 3.41Å; L1317-V1345 HydrophobicContact CD2-CB 4.11Å; L1317-V1345 PolarHBondContact N-O 2.99Å; L1343-V1345 WeakPolarHBondContact O-CG2 3.48Å | ||
| 1346 | V | 94.9 | Very high | 87.7 | Confident | 52 Ų | 52 | 35.4 Ų | 35.4 | 32% | 0.315 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 155.8 | 172.5 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | I1150 P1151 A1152 V1153 N1315 | I1150-V1346 HydrophobicContact CG2-CG1 4.24Å; I1150-V1346 HydrophobicContact CG2-CG2 4.1Å; P1151-V1346 PolarHBondContact O-N 3.15Å; P1151-V1346 VanDerWaalsContact O-N 3.08Å; A1152-V1346 CarbonylContact C-O 3.49Å; A1152-V1346 VanDerWaalsContact CA-O 3.23Å; A1152-V1346 WeakPolarHBondContact CA-O 3.2Å; A1152-V1346 HydrophobicContact CB-CG2 4.22Å; V1153-V1346 PolarHBondContact N-O 3.18Å; N1315-V1346 CarbonylContact O-C 3.47Å; N1315-V1346 WeakPolarHBondContact O-CA 3.46Å |
| 1347 | A | 92.6 | Very high | 87.1 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 141.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | W1289 L1290 N1315 | W1289-A1347 WeakPolarHBondContact O-CB 3.08Å; L1290-A1347 HydrophobicContact CD2-CB 3.92Å; N1315-A1347 HydrophobicContact CB-CB 4.22Å; N1315-A1347 PolarHBondContact O-N 3.19Å |
| 1348 | S | 86.8 | Confident | 86.5 | Confident | 41 Ų | 41 | 40.4 Ų | 40.4 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | trans | -66.8 | 138.1 | 174 | -167.5 | 0 | 0 | 0 | 0 | 110.4 | V1153 T1350 | V1153-S1348 PolarHBondContact O-N 2.86Å; S1348-T1350 VanDerWaalsContact C-N 3.33Å; S1348-T1350 PolarHBondContact OG-N 3.17Å; S1348-T1350 PolarHBondContact OG-OG1 3.12Å | ||
| 1349 | L | 69.9 | Low | 85.9 | Confident | 138 Ų | 138 | 43.5 Ų | 43.5 | 72% | 0.723 | 25% | 0.247 | S | C | * | . | trans | -81.1 | -13.8 | 175.8 | -82.7 | 167.6 | 0 | 0 | 0 | 113.3 | N1315 N1351 | N1315-L1349 WeakPolarHBondContact ND2-CD2 3.46Å; N1315-L1349 VanDerWaalsContact ND2-CG 3.3Å; N1315-L1349 WeakPolarHBondContact ND2-CG 3.39Å; L1349-N1351 PolarHBondContact O-N 2.99Å | ||
| 1350 | T | 55.6 | Low | 85.2 | Confident | 96 Ų | 96 | 47.1 Ų | 47.1 | 59% | 0.589 | 27% | 0.268 | S | S | * | . | trans | -77.9 | 109.9 | -178.3 | 55.4 | 0 | 0 | 0 | 0 | 110 | S1348 | S1348-T1350 VanDerWaalsContact C-N 3.33Å; S1348-T1350 PolarHBondContact OG-N 3.17Å; S1348-T1350 PolarHBondContact OG-OG1 3.12Å | ||
| 1351 | N | 42.2 | Very low | 84.1 | Confident | 209 Ų | 209 | 51.4 Ų | 51.4 | 100% | 1.118 | 29% | 0.292 | S | S | * | . | trans | -81 | 0 | 150.2 | -86.8 | -8.9 | 0 | 0 | 0 | 109.5 | L1349 | L1349-N1351 PolarHBondContact O-N 2.99Š|
Retrieved 1,351 of 1,351 residues in 2586 ms
(Link to these results)