| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.7 | Very low | 62.7 | Low | 214 Ų | 214 | 85.9 Ų | 85.9 | 100% | 1.054 | 51% | 0.507 | S | S | * | . | 0 | 134.4 | 0 | -68.3 | 172.4 | -165.7 | 0 | 0 | 106.4 | |||||
| 2 | G | 47.1 | Very low | 64.5 | Low | 60 Ų | 60 | 78.9 Ų | 78.9 | 62% | 0.619 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 162.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V4 | G2-V4 PolarHBondContact O-N 2.62Å; G2-V4 VanDerWaalsContact O-N 3.17Å |
| 3 | P | 52 | Low | 65.9 | Low | 113 Ų | 113 | 76.4 Ų | 76.4 | 73% | 0.734 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 122.9 | 175.6 | 24.1 | -31.6 | 0 | 0 | 0 | 108.9 | A5 | P3-A5 PolarHBondContact O-N 3.45Š|
| 4 | V | 55.7 | Low | 67.2 | Low | 39 Ų | 39 | 74.9 Ų | 74.9 | 24% | 0.236 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -61 | 121.3 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 106.8 | G2 V6 A9 L24 V28 | G2-V4 PolarHBondContact O-N 2.62Å; G2-V4 VanDerWaalsContact O-N 3.17Å; V4-V6 PolarHBondContact O-N 3.47Å; V4-A9 HydrophobicContact CG1-CB 3.97Å; V4-L24 HydrophobicContact CG1-CD1 3.67Å; V4-V28 HydrophobicContact CG1-CG2 4.4Å |
| 5 | A | 61.1 | Low | 68.3 | Low | 50 Ų | 50 | 73.1 Ų | 73.1 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 132.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | P3 D7 E8 A9 | P3-A5 PolarHBondContact O-N 3.45Å; A5-D7 PolarHBondContact O-N 3.39Å; A5-D7 VanDerWaalsContact O-N 3.13Å; A5-E8 HydrophobicContact CB-CB 4.47Å; A5-E8 HydrophobicContact CB-CG 4.28Å; A5-E8 WeakPolarHBondContact O-CA 3.39Å; A5-E8 WeakPolarHBondContact O-CB 3.31Å; A5-E8 PolarHBondContact O-N 2.85Å; A5-A9 PolarHBondContact O-N 2.86Å; A5-A9 VanDerWaalsContact O-N 3.08Å |
| 6 | V | 61 | Low | 69 | Low | 69 Ų | 69 | 74.8 Ų | 74.8 | 42% | 0.418 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -52.1 | -38 | -179 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | V4 E8 A9 A10 E42 | V4-V6 PolarHBondContact O-N 3.47Å; V6-E8 VanDerWaalsContact C-N 3.31Å; V6-E8 PolarHBondContact O-N 3.35Å; V6-A9 PolarHBondContact O-N 2.82Å; V6-A10 WeakPolarHBondContact O-CB 3.27Å; V6-A10 PolarHBondContact O-N 2.95Å; V6-E42 WeakPolarHBondContact CG2-OE2 3.28Å |
| 7 | D | 63.1 | Low | 69.3 | Low | 140 Ų | 140 | 75.8 Ų | 75.8 | 75% | 0.749 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.9 | -30.2 | 175.7 | -73.5 | -20.5 | 0 | 0 | 0 | 113.6 | A5 | A5-D7 PolarHBondContact O-N 3.39Å; A5-D7 VanDerWaalsContact O-N 3.13Å |
| 8 | E | 72.7 | Confident | 69.2 | Low | 98 Ų | 98 | 82.7 Ų | 82.7 | 46% | 0.458 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -75.3 | -45.8 | 173.2 | -71.3 | -172 | 148.2 | 0 | 0 | 110.8 | A5 V6 A10 K11 L24 | A5-E8 HydrophobicContact CB-CB 4.47Å; A5-E8 HydrophobicContact CB-CG 4.28Å; A5-E8 WeakPolarHBondContact O-CA 3.39Å; A5-E8 WeakPolarHBondContact O-CB 3.31Å; A5-E8 PolarHBondContact O-N 2.85Å; V6-E8 VanDerWaalsContact C-N 3.31Å; V6-E8 PolarHBondContact O-N 3.35Å; E8-A10 VanDerWaalsContact C-N 3.26Å; E8-A10 PolarHBondContact O-N 3.15Å; E8-K11 WeakPolarHBondContact O-CB 3.46Å; E8-K11 WeakPolarHBondContact O-CG 3.47Å; E8-K11 PolarHBondContact O-N 3.24Å; E8-L24 VanDerWaalsContact O-CD2 3.25Å; E8-L24 WeakPolarHBondContact O-CD2 3.36Å |
| 9 | A | 74.7 | Confident | 69.5 | Low | 5 Ų | 5 | 86.8 Ų | 86.8 | 4% | 0.041 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61.6 | -32.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V4 A5 V6 K11 L12 V28 I46 | V4-A9 HydrophobicContact CG1-CB 3.97Å; A5-A9 PolarHBondContact O-N 2.86Å; A5-A9 VanDerWaalsContact O-N 3.08Å; V6-A9 PolarHBondContact O-N 2.82Å; A9-K11 PolarHBondContact O-N 3.27Å; A9-L12 VanDerWaalsContact O-CB 3.29Å; A9-L12 WeakPolarHBondContact O-CB 3.35Å; A9-L12 WeakPolarHBondContact O-CG 3.47Å; A9-L12 PolarHBondContact O-N 3.1Å; A9-L12 VanDerWaalsContact O-N 3.08Å; A9-V28 HydrophobicContact CB-CG2 3.73Å; A9-I46 HydrophobicContact CB-CD1 3.44Å; A9-I46 VanDerWaalsContact CB-CD1 3.44Å |
| 10 | A | 79.1 | Confident | 70.2 | Confident | 45 Ų | 45 | 83.3 Ų | 83.3 | 37% | 0.372 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -61.8 | -22.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V6 E8 L12 L13 | V6-A10 WeakPolarHBondContact O-CB 3.27Å; V6-A10 PolarHBondContact O-N 2.95Å; E8-A10 VanDerWaalsContact C-N 3.26Å; E8-A10 PolarHBondContact O-N 3.15Å; A10-L12 PolarHBondContact O-N 3.3Å; A10-L13 WeakPolarHBondContact O-CB 3.48Å; A10-L13 PolarHBondContact O-N 3.42Å |
| 11 | K | 82.3 | Confident | 71.1 | Confident | 112 Ų | 112 | 83.3 Ų | 83.3 | 49% | 0.487 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -61.2 | -24.7 | 173.9 | -62.7 | 173.5 | -177.3 | 168.5 | 0 | 112.3 | E8 A9 L13 D14 L24 | E8-K11 WeakPolarHBondContact O-CB 3.46Å; E8-K11 WeakPolarHBondContact O-CG 3.47Å; E8-K11 PolarHBondContact O-N 3.24Å; A9-K11 PolarHBondContact O-N 3.27Å; K11-L13 PolarHBondContact O-N 3.08Å; K11-D14 WeakPolarHBondContact O-CB 3.45Å; K11-D14 PolarHBondContact O-N 3.01Å; K11-D14 VanDerWaalsContact O-N 3.14Å; K11-L24 HydrophobicContact CB-CD2 4.47Å |
| 12 | L | 84 | Confident | 73.5 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.01 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -62.9 | -22.4 | 173.9 | -62.8 | 173.7 | 0 | 0 | 0 | 112.3 | A9 A10 I20 D21 L24 L25 V28 R59 | A9-L12 VanDerWaalsContact O-CB 3.29Å; A9-L12 WeakPolarHBondContact O-CB 3.35Å; A9-L12 WeakPolarHBondContact O-CG 3.47Å; A9-L12 PolarHBondContact O-N 3.1Å; A9-L12 VanDerWaalsContact O-N 3.08Å; A10-L12 PolarHBondContact O-N 3.3Å; L12-I20 HydrophobicContact CD2-CD1 4.22Å; L12-I20 HydrophobicContact CD2-CG1 3.95Å; L12-D21 WeakPolarHBondContact CD2-O 3.38Å; L12-L24 HydrophobicContact CD1-CD2 4.47Å; L12-L24 HydrophobicContact CD1-CG 4.19Å; L12-L24 HydrophobicContact CD2-CB 4.22Å; L12-L24 HydrophobicContact CD2-CD2 3.9Å; L12-L24 HydrophobicContact CD2-CG 4.05Å; L12-L24 HydrophobicContact CG-CD2 3.84Å; L12-L24 HydrophobicContact CG-CG 4.06Å; L12-L25 HydrophobicContact CD1-CB 4.25Å; L12-L25 HydrophobicContact CD1-CD1 4.06Å; L12-L25 HydrophobicContact CD2-CB 4Å; L12-V28 HydrophobicContact CD1-CB 4.22Å; L12-V28 HydrophobicContact CD1-CG2 3.8Å; L12-R59 PolarHBondContact O-NH1 3.42Å |
| 13 | L | 83.7 | Confident | 75.5 | Confident | 46 Ų | 46 | 78.5 Ų | 78.5 | 24% | 0.241 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -89.5 | -3.5 | 178.8 | -57.3 | 173.1 | 0 | 0 | 0 | 113.2 | A10 K11 F15 I46 Q49 L50 | A10-L13 WeakPolarHBondContact O-CB 3.48Å; A10-L13 PolarHBondContact O-N 3.42Å; K11-L13 PolarHBondContact O-N 3.08Å; L13-F15 WeakPolarHBondContact O-CD2 3.24Å; L13-F15 PolarHBondContact O-N 3.47Å; L13-I46 HydrophobicContact CG-CG2 4.46Å; L13-Q49 HydrophobicContact CD1-CB 4.2Å; L13-Q49 VanDerWaalsContact CD1-OE1 3.24Å; L13-Q49 HydrophobicContact CD2-CB 3.83Å; L13-L50 HydrophobicContact CD2-CB 3.79Å; L13-L50 HydrophobicContact CD2-CD1 4.49Å |
| 14 | D | 84.2 | Confident | 77.3 | Confident | 56 Ų | 56 | 74.1 Ų | 74.1 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | trans | -84.3 | 95.5 | 178.6 | 179.9 | 9.3 | 0 | 0 | 0 | 111.2 | K11 S16 Q17 R59 | K11-D14 WeakPolarHBondContact O-CB 3.45Å; K11-D14 PolarHBondContact O-N 3.01Å; K11-D14 VanDerWaalsContact O-N 3.14Å; D14-S16 VanDerWaalsContact CG-OG 3.31Å; D14-S16 PolarHBondContact O-N 3.39Å; D14-S16 VanDerWaalsContact OD1-CB 3.25Å; D14-S16 WeakPolarHBondContact OD1-CB 3.32Å; D14-S16 PolarHBondContact OD1-N 3.12Å; D14-S16 PolarHBondContact OD1-OG 2.97Å; D14-S16 PolarHBondContact OD2-OG 3.42Å; D14-Q17 PolarHBondContact OD2-NE2 2.93Å; D14-R59 PolarHBondContact O-NH2 2.8Å | ||
| 15 | F | 83.1 | Confident | 79 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 21% | 0.206 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -0.4 | 177.1 | -75.4 | -97.1 | 0 | 0 | 0 | 114.8 | L13 Q17 L50 H53 D55 A56 R59 | L13-F15 WeakPolarHBondContact O-CD2 3.24Å; L13-F15 PolarHBondContact O-N 3.47Å; F15-Q17 VanDerWaalsContact C-N 3.3Å; F15-L50 HydrophobicContact CE2-CD1 4.03Å; F15-L50 HydrophobicContact CZ-CD1 3.75Å; F15-H53 AromaticContact CD1-CE1 3.77Å; F15-H53 AromaticContact CD1-ND1 3.71Å; F15-H53 AromaticContact CD2-CD2 3.62Å; F15-H53 AromaticContact CD2-CE1 3.33Å; F15-H53 WeakPolarHBondContact CD2-CE1 3.48Å; F15-H53 AromaticContact CD2-CG 3.62Å; F15-H53 AromaticContact CD2-ND1 3.42Å; F15-H53 WeakPolarHBondContact CD2-ND1 3.13Å; F15-H53 AromaticContact CD2-NE2 3.46Å; F15-H53 WeakPolarHBondContact CD2-NE2 3.12Å; F15-H53 AromaticContact CE1-ND1 3.51Å; F15-H53 HydrophobicContact CE2-CB 3.64Å; F15-H53 AromaticContact CE2-CD2 3.57Å; F15-H53 AromaticContact CE2-CE1 3.68Å; F15-H53 AromaticContact CE2-CG 3.16Å; F15-H53 AromaticContact CE2-ND1 3.23Å; F15-H53 WeakPolarHBondContact CE2-ND1 3.37Å; F15-H53 AromaticContact CE2-NE2 3.88Å; F15-H53 AromaticContact CG-CE1 3.39Å; F15-H53 WeakPolarHBondContact CG-CE1 3.43Å; F15-H53 AromaticContact CG-ND1 3.67Å; F15-H53 AromaticContact CG-NE2 3.9Å; F15-H53 HydrophobicContact CZ-CB 3.75Å; F15-H53 AromaticContact CZ-CG 3.51Å; F15-H53 AromaticContact CZ-ND1 3.27Å; F15-H53 VanDerWaalsContact CZ-ND1 3.27Å; F15-H53 WeakPolarHBondContact CZ-ND1 3.39Å; F15-D55 HydrophobicContact CD1-CB 3.83Å; F15-D55 VanDerWaalsContact CE1-C 3.49Å; F15-D55 HydrophobicContact CE1-CB 4.01Å; F15-D55 WeakPolarHBondContact CE1-O 3.26Å; F15-A56 HydrophobicContact CZ-CB 4.24Å; F15-R59 HydrophobicContact CE1-CG 4.28Å; F15-R59 VanDerWaalsContact CE1-NE 3.34Å |
| 16 | S | 79.3 | Confident | 80.5 | Confident | 101 Ų | 101 | 70.9 Ų | 70.9 | 71% | 0.706 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -21.8 | 172.5 | 76 | 0 | 0 | 0 | 0 | 112.9 | D14 | D14-S16 VanDerWaalsContact CG-OG 3.31Å; D14-S16 PolarHBondContact O-N 3.39Å; D14-S16 VanDerWaalsContact OD1-CB 3.25Å; D14-S16 WeakPolarHBondContact OD1-CB 3.32Å; D14-S16 PolarHBondContact OD1-N 3.12Å; D14-S16 PolarHBondContact OD1-OG 2.97Å; D14-S16 PolarHBondContact OD2-OG 3.42Å |
| 17 | Q | 75 | Confident | 81.8 | Confident | 91 Ų | 91 | 69 Ų | 69 | 43% | 0.425 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -77.3 | 134 | 175.7 | -63.4 | -179.9 | 24.7 | 0 | 0 | 110.7 | D14 F15 Q19 | D14-Q17 PolarHBondContact OD2-NE2 2.93Å; F15-Q17 VanDerWaalsContact C-N 3.3Å; Q17-Q19 PolarHBondContact O-N 3.45Å |
| 18 | Q | 67.6 | Low | 83 | Confident | 201 Ų | 201 | 62.6 Ų | 62.6 | 94% | 0.939 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -66.3 | -22 | -179.4 | -78.9 | -176.2 | -21.1 | 0 | 0 | 113.8 | ||
| 19 | Q | 73.4 | Confident | 83.9 | Confident | 160 Ų | 160 | 58 Ų | 58 | 75% | 0.748 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -135.2 | 138.6 | -177.5 | -66.6 | -173.6 | -19.3 | 0 | 0 | 110.6 | Q17 | Q17-Q19 PolarHBondContact O-N 3.45Š|
| 20 | I | 84.7 | Confident | 84.5 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | trans | -79.5 | 139.3 | 172.4 | -171.1 | 175.8 | 0 | 0 | 0 | 110.3 | L12 V22 L25 R59 A62 I63 | L12-I20 HydrophobicContact CD2-CD1 4.22Å; L12-I20 HydrophobicContact CD2-CG1 3.95Å; I20-V22 HydrophobicContact CG2-CG2 3.93Å; I20-V22 PolarHBondContact O-N 3.04Å; I20-V22 VanDerWaalsContact O-N 3.11Å; I20-L25 HydrophobicContact CD1-CD2 3.94Å; I20-R59 HydrophobicContact CB-CB 4.47Å; I20-R59 HydrophobicContact CB-CG 4.42Å; I20-R59 HydrophobicContact CG2-CB 4.16Å; I20-A62 HydrophobicContact CG2-CB 4.39Å; I20-I63 HydrophobicContact CD1-CD1 4.07Å; I20-I63 HydrophobicContact CD1-CG1 4.33Å; I20-I63 HydrophobicContact CG2-CG1 4.06Å | ||
| 21 | D | 89.5 | Confident | 84.9 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | trans | -74.6 | 98.1 | 168.7 | -171.4 | -23.6 | 0 | 0 | 0 | 110.1 | L12 Q23 L24 L25 | L12-D21 WeakPolarHBondContact CD2-O 3.38Å; D21-Q23 VanDerWaalsContact C-N 3.34Å; D21-Q23 PolarHBondContact O-N 3.09Å; D21-Q23 PolarHBondContact OD1-N 3.16Å; D21-Q23 VanDerWaalsContact OD1-N 3.1Å; D21-L24 HydrophobicContact CB-CB 3.89Å; D21-L24 HydrophobicContact CB-CD2 4.44Å; D21-L24 VanDerWaalsContact CG-CB 3.49Å; D21-L24 PolarHBondContact O-N 3.32Å; D21-L24 PolarHBondContact OD1-N 3.2Å; D21-L25 PolarHBondContact O-N 2.64Å | ||
| 22 | V | 89.5 | Confident | 85.2 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 9% | 0.085 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.4 | -30.6 | -176.7 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | I20 L25 D26 | I20-V22 HydrophobicContact CG2-CG2 3.93Å; I20-V22 PolarHBondContact O-N 3.04Å; I20-V22 VanDerWaalsContact O-N 3.11Å; V22-L25 PolarHBondContact O-N 3.27Å; V22-D26 PolarHBondContact O-N 2.99Å |
| 23 | Q | 89.7 | Confident | 85.2 | Confident | 158 Ų | 158 | 60.7 Ų | 60.7 | 74% | 0.738 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -72.6 | -37.8 | 179.3 | -66.6 | -175.7 | -3.9 | 0 | 0 | 111.3 | D21 D26 S27 | D21-Q23 VanDerWaalsContact C-N 3.34Å; D21-Q23 PolarHBondContact O-N 3.09Å; D21-Q23 PolarHBondContact OD1-N 3.16Å; D21-Q23 VanDerWaalsContact OD1-N 3.1Å; Q23-D26 PolarHBondContact O-N 2.92Å; Q23-S27 PolarHBondContact O-N 3.44Å; Q23-S27 VanDerWaalsContact O-N 3.08Å; Q23-S27 PolarHBondContact O-OG 3.21Å |
| 24 | L | 89.8 | Confident | 85.4 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 171.5 | 179 | 63.7 | 0 | 0 | 0 | 111.1 | V4 E8 K11 L12 D21 D26 S27 V28 | V4-L24 HydrophobicContact CG1-CD1 3.67Å; E8-L24 VanDerWaalsContact O-CD2 3.25Å; E8-L24 WeakPolarHBondContact O-CD2 3.36Å; K11-L24 HydrophobicContact CB-CD2 4.47Å; L12-L24 HydrophobicContact CD1-CD2 4.47Å; L12-L24 HydrophobicContact CD1-CG 4.19Å; L12-L24 HydrophobicContact CD2-CB 4.22Å; L12-L24 HydrophobicContact CD2-CD2 3.9Å; L12-L24 HydrophobicContact CD2-CG 4.05Å; L12-L24 HydrophobicContact CG-CD2 3.84Å; L12-L24 HydrophobicContact CG-CG 4.06Å; D21-L24 HydrophobicContact CB-CB 3.89Å; D21-L24 HydrophobicContact CB-CD2 4.44Å; D21-L24 VanDerWaalsContact CG-CB 3.49Å; D21-L24 PolarHBondContact O-N 3.32Å; D21-L24 PolarHBondContact OD1-N 3.2Å; L24-D26 PolarHBondContact O-N 3.4Å; L24-S27 WeakPolarHBondContact O-CB 3.47Å; L24-S27 PolarHBondContact O-N 3.01Å; L24-S27 VanDerWaalsContact O-N 3.14Å; L24-V28 WeakPolarHBondContact O-CG2 3.47Å; L24-V28 PolarHBondContact O-N 3.46Å |
| 25 | L | 91.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 175.6 | 179.3 | 62.7 | 0 | 0 | 0 | 111.7 | L12 I20 D21 V22 S27 V28 V29 L47 L50 I63 T72 Y75 | L12-L25 HydrophobicContact CD1-CB 4.25Å; L12-L25 HydrophobicContact CD1-CD1 4.06Å; L12-L25 HydrophobicContact CD2-CB 4Å; I20-L25 HydrophobicContact CD1-CD2 3.94Å; D21-L25 PolarHBondContact O-N 2.64Å; V22-L25 PolarHBondContact O-N 3.27Å; L25-S27 PolarHBondContact O-N 3.03Å; L25-V28 PolarHBondContact O-N 3.5Å; L25-V28 VanDerWaalsContact O-N 3.16Å; L25-V29 HydrophobicContact CD1-CG2 4.07Å; L25-V29 HydrophobicContact CG-CG2 4.33Å; L25-V29 WeakPolarHBondContact O-CG2 3.41Å; L25-V29 PolarHBondContact O-N 3.16Å; L25-L47 HydrophobicContact CD1-CD2 3.77Å; L25-L50 HydrophobicContact CD1-CD2 3.9Å; L25-I63 HydrophobicContact CD2-CD1 3.63Å; L25-I63 HydrophobicContact CD2-CG1 3.8Å; L25-I63 HydrophobicContact CD2-CG2 4.05Å; L25-T72 HydrophobicContact CD2-CG2 3.55Å; L25-T72 HydrophobicContact CG-CG2 3.66Å; L25-Y75 HydrophobicContact CD1-CE1 4.5Å |
| 26 | D | 92.1 | Very high | 85.2 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 11% | 0.112 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.7 | -41.1 | 174.4 | -77.7 | -6.3 | 0 | 0 | 0 | 111.5 | V22 Q23 L24 V29 D30 S67 Q68 N69 T72 | V22-D26 PolarHBondContact O-N 2.99Å; Q23-D26 PolarHBondContact O-N 2.92Å; L24-D26 PolarHBondContact O-N 3.4Å; D26-V29 PolarHBondContact O-N 3.21Å; D26-D30 WeakPolarHBondContact O-CB 2.86Å; D26-D30 PolarHBondContact O-N 3.09Å; D26-S67 PolarHBondContact OD1-OG 3.44Å; D26-S67 PolarHBondContact OD2-OG 3.45Å; D26-Q68 PolarHBondContact OD2-N 3.19Å; D26-N69 HydrophobicContact CB-CB 4.08Å; D26-N69 VanDerWaalsContact CG-CB 3.48Å; D26-N69 WeakPolarHBondContact OD1-CB 3.4Å; D26-T72 WeakPolarHBondContact OD1-CB 3.31Å; D26-T72 VanDerWaalsContact OD1-CG2 3.26Å; D26-T72 WeakPolarHBondContact OD1-CG2 3.47Å; D26-T72 PolarHBondContact OD1-OG1 3.44Å |
| 27 | S | 88.6 | Confident | 85.5 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 22% | 0.217 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.3 | -38 | 178.1 | -55.6 | 0 | 0 | 0 | 0 | 113 | Q23 L24 L25 A31 | Q23-S27 PolarHBondContact O-N 3.44Å; Q23-S27 VanDerWaalsContact O-N 3.08Å; Q23-S27 PolarHBondContact O-OG 3.21Å; L24-S27 WeakPolarHBondContact O-CB 3.47Å; L24-S27 PolarHBondContact O-N 3.01Å; L24-S27 VanDerWaalsContact O-N 3.14Å; L25-S27 PolarHBondContact O-N 3.03Å; S27-A31 WeakPolarHBondContact O-CB 3.48Å; S27-A31 PolarHBondContact O-N 3.14Å |
| 28 | V | 89.9 | Confident | 85.9 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.4 | -41.4 | 177.1 | 175.5 | 0 | 0 | 0 | 0 | 111 | V4 A9 L12 L24 L25 A31 M32 A43 L47 | V4-V28 HydrophobicContact CG1-CG2 4.4Å; A9-V28 HydrophobicContact CB-CG2 3.73Å; L12-V28 HydrophobicContact CD1-CB 4.22Å; L12-V28 HydrophobicContact CD1-CG2 3.8Å; L24-V28 WeakPolarHBondContact O-CG2 3.47Å; L24-V28 PolarHBondContact O-N 3.46Å; L25-V28 PolarHBondContact O-N 3.5Å; L25-V28 VanDerWaalsContact O-N 3.16Å; V28-A31 WeakPolarHBondContact O-CB 3.38Å; V28-A31 PolarHBondContact O-N 2.65Å; V28-M32 PolarHBondContact O-N 2.95Å; V28-A43 HydrophobicContact CG1-CB 4.03Å; V28-L47 HydrophobicContact CG1-CD1 4.29Å; V28-L47 HydrophobicContact CG1-CD2 4.16Å; V28-L47 HydrophobicContact CG1-CG 3.97Å |
| 29 | V | 90.4 | Very high | 86.6 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 174.7 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | L25 D26 A31 M32 Y33 L47 Q71 T72 | L25-V29 HydrophobicContact CD1-CG2 4.07Å; L25-V29 HydrophobicContact CG-CG2 4.33Å; L25-V29 WeakPolarHBondContact O-CG2 3.41Å; L25-V29 PolarHBondContact O-N 3.16Å; D26-V29 PolarHBondContact O-N 3.21Å; V29-A31 VanDerWaalsContact C-N 3.32Å; V29-A31 PolarHBondContact O-N 2.96Å; V29-M32 WeakPolarHBondContact O-CB 3.39Å; V29-M32 PolarHBondContact O-N 3.45Å; V29-M32 VanDerWaalsContact O-N 3.07Å; V29-Y33 HydrophobicContact CG1-CD2 3.8Å; V29-Y33 HydrophobicContact CG1-CE2 3.76Å; V29-Y33 VanDerWaalsContact O-CD2 3.31Å; V29-Y33 WeakPolarHBondContact O-CD2 3.46Å; V29-Y33 PolarHBondContact O-N 3.44Å; V29-Y33 VanDerWaalsContact O-N 3.13Å; V29-L47 HydrophobicContact CG2-CD1 4.18Å; V29-L47 HydrophobicContact CG2-CD2 3.81Å; V29-Q71 HydrophobicContact CG1-CB 3.62Å; V29-T72 HydrophobicContact CG2-CG2 4.3Å |
| 30 | D | 88.6 | Confident | 87.1 | Confident | 55 Ų | 55 | 56.2 Ų | 56.2 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 174.1 | -80.3 | -23.7 | 0 | 0 | 0 | 111.8 | D26 M32 Y33 T34 N69 | D26-D30 WeakPolarHBondContact O-CB 2.86Å; D26-D30 PolarHBondContact O-N 3.09Å; D30-M32 PolarHBondContact O-N 3.03Å; D30-Y33 PolarHBondContact O-N 3.03Å; D30-T34 WeakPolarHBondContact O-CB 3.44Å; D30-T34 PolarHBondContact O-N 3.03Å; D30-T34 PolarHBondContact O-OG1 2.92Å; D30-N69 PolarHBondContact OD1-ND2 2.84Å; D30-N69 PolarHBondContact OD2-ND2 3.03Å |
| 31 | A | 87 | Confident | 87.1 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 7% | 0.074 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -31 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S27 V28 V29 G35 Q39 A43 | S27-A31 WeakPolarHBondContact O-CB 3.48Å; S27-A31 PolarHBondContact O-N 3.14Å; V28-A31 WeakPolarHBondContact O-CB 3.38Å; V28-A31 PolarHBondContact O-N 2.65Å; V29-A31 VanDerWaalsContact C-N 3.32Å; V29-A31 PolarHBondContact O-N 2.96Å; A31-G35 WeakPolarHBondContact O-CA 3.36Å; A31-G35 PolarHBondContact O-N 3.29Å; A31-Q39 HydrophobicContact CB-CG 4.31Å; A31-A43 HydrophobicContact CB-CB 4.15Å |
| 32 | M | 87.7 | Confident | 86.9 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 21% | 0.212 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.5 | -41.7 | 174.5 | -166.3 | -164.2 | 81.8 | 0 | 0 | 112.5 | V28 V29 D30 Q40 A43 Q44 L47 | V28-M32 PolarHBondContact O-N 2.95Å; V29-M32 WeakPolarHBondContact O-CB 3.39Å; V29-M32 PolarHBondContact O-N 3.45Å; V29-M32 VanDerWaalsContact O-N 3.07Å; D30-M32 PolarHBondContact O-N 3.03Å; M32-Q40 WeakPolarHBondContact O-CG 3.28Å; M32-Q40 PolarHBondContact O-NE2 3.45Å; M32-Q40 VanDerWaalsContact O-NE2 3.07Å; M32-A43 HydrophobicContact CB-CB 4.15Å; M32-Q44 HydrophobicContact CG-CB 4.5Å; M32-L47 HydrophobicContact CB-CD1 3.85Å; M32-L47 HydrophobicContact CG-CD1 4.1Å; M32-L47 HydrophobicContact SD-CD1 3.5Å; M32-L47 WeakPolarHBondContact SD-CD1 3.38Å |
| 33 | Y | 85.3 | Confident | 86.8 | Confident | 115 Ų | 115 | 62.1 Ų | 62.1 | 45% | 0.451 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -85.7 | -24.9 | -177.5 | -74.9 | -77.2 | 0 | 0 | 0 | 114.2 | V29 D30 Q71 | V29-Y33 HydrophobicContact CG1-CD2 3.8Å; V29-Y33 HydrophobicContact CG1-CE2 3.76Å; V29-Y33 VanDerWaalsContact O-CD2 3.31Å; V29-Y33 WeakPolarHBondContact O-CD2 3.46Å; V29-Y33 PolarHBondContact O-N 3.44Å; V29-Y33 VanDerWaalsContact O-N 3.13Å; D30-Y33 PolarHBondContact O-N 3.03Å; Y33-Q71 HydrophobicContact CD2-CB 3.86Å; Y33-Q71 HydrophobicContact CD2-CG 3.81Å; Y33-Q71 HydrophobicContact CE2-CB 3.6Å; Y33-Q71 HydrophobicContact CE2-CG 3.79Å; Y33-Q71 HydrophobicContact CG-CG 4.29Å |
| 34 | T | 86.1 | Confident | 86.7 | Confident | 109 Ų | 109 | 59.7 Ų | 59.7 | 67% | 0.669 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -117.7 | -16.1 | -175.2 | 67.6 | 0 | 0 | 0 | 0 | 114.1 | D30 | D30-T34 WeakPolarHBondContact O-CB 3.44Å; D30-T34 PolarHBondContact O-N 3.03Å; D30-T34 PolarHBondContact O-OG1 2.92Å |
| 35 | G | 80.8 | Confident | 86.7 | Confident | 11 Ų | 11 | 64.3 Ų | 64.3 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | trans | -75.2 | 165.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A31 | A31-G35 WeakPolarHBondContact O-CA 3.36Å; A31-G35 PolarHBondContact O-N 3.29Å | ||
| 36 | I | 82.3 | Confident | 86.6 | Confident | 153 Ų | 153 | 65 Ų | 65 | 79% | 0.785 | 33% | 0.325 | S | S | * | . | trans | -132.3 | 140.3 | 179.2 | -55.1 | 173.6 | 0 | 0 | 0 | 108.8 | ||||
| 37 | G | 86.8 | Confident | 86.5 | Confident | 37 Ų | 37 | 64.2 Ų | 64.2 | 38% | 0.381 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | -127.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q40 R41 | G37-Q40 PolarHBondContact O-N 2.81Å; G37-R41 PolarHBondContact O-N 3.27Å |
| 38 | Q | 83.2 | Confident | 86.5 | Confident | 138 Ų | 138 | 65.6 Ų | 65.6 | 65% | 0.645 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | -172.6 | -176.8 | 172.8 | -4.9 | 0 | 0 | 112.7 | Q40 R41 E42 | Q38-Q40 VanDerWaalsContact C-N 3.26Å; Q38-Q40 PolarHBondContact O-N 3.06Å; Q38-R41 PolarHBondContact O-N 3.23Å; Q38-R41 VanDerWaalsContact O-N 3.14Å; Q38-E42 HydrophobicContact CG-CG 4.29Å; Q38-E42 VanDerWaalsContact CG-OE1 3.27Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.39Å; Q38-E42 PolarHBondContact NE2-OE1 2.98Å; Q38-E42 WeakPolarHBondContact O-CG 3.38Å; Q38-E42 PolarHBondContact O-N 2.98Å |
| 39 | Q | 81.1 | Confident | 86.4 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.3 | -37.5 | 179.5 | -172.8 | -176.9 | 7.1 | 0 | 0 | 112.3 | A31 A43 | A31-Q39 HydrophobicContact CB-CG 4.31Å; Q39-A43 WeakPolarHBondContact O-CB 3.37Å; Q39-A43 PolarHBondContact O-N 3.11Å |
| 40 | Q | 85.6 | Confident | 86.4 | Confident | 79 Ų | 79 | 70.4 Ų | 70.4 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.4 | -42.7 | 177.6 | -172.9 | 179.7 | 28.7 | 0 | 0 | 111.6 | M32 G37 Q38 A43 Q44 | M32-Q40 WeakPolarHBondContact O-CG 3.28Å; M32-Q40 PolarHBondContact O-NE2 3.45Å; M32-Q40 VanDerWaalsContact O-NE2 3.07Å; G37-Q40 PolarHBondContact O-N 2.81Å; Q38-Q40 VanDerWaalsContact C-N 3.26Å; Q38-Q40 PolarHBondContact O-N 3.06Å; Q40-A43 PolarHBondContact O-N 2.81Å; Q40-Q44 WeakPolarHBondContact O-CB 3.21Å; Q40-Q44 PolarHBondContact O-N 3.16Å |
| 41 | R | 84.6 | Confident | 86.3 | Confident | 177 Ų | 177 | 70.9 Ų | 70.9 | 67% | 0.668 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64 | -45.7 | 177.1 | -70 | -174.1 | -168.6 | 174.9 | 2.6 | 111.8 | G37 Q38 A43 Q44 E45 | G37-R41 PolarHBondContact O-N 3.27Å; Q38-R41 PolarHBondContact O-N 3.23Å; Q38-R41 VanDerWaalsContact O-N 3.14Å; R41-A43 PolarHBondContact O-N 2.68Å; R41-Q44 WeakPolarHBondContact O-CB 3.39Å; R41-Q44 PolarHBondContact O-N 2.97Å; R41-E45 WeakPolarHBondContact O-CG 3.49Å; R41-E45 PolarHBondContact O-N 3.07Å |
| 42 | E | 84.9 | Confident | 86.1 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 177.9 | -71.1 | 171.2 | 177.4 | 0 | 0 | 111.1 | V6 Q38 Q44 E45 I46 | V6-E42 WeakPolarHBondContact CG2-OE2 3.28Å; Q38-E42 HydrophobicContact CG-CG 4.29Å; Q38-E42 VanDerWaalsContact CG-OE1 3.27Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.39Å; Q38-E42 PolarHBondContact NE2-OE1 2.98Å; Q38-E42 WeakPolarHBondContact O-CG 3.38Å; Q38-E42 PolarHBondContact O-N 2.98Å; E42-Q44 VanDerWaalsContact C-N 3.34Å; E42-Q44 PolarHBondContact O-N 3.31Å; E42-E45 PolarHBondContact O-N 3.26Å; E42-I46 WeakPolarHBondContact O-CG1 3.46Å; E42-I46 PolarHBondContact O-N 3.07Å; E42-I46 VanDerWaalsContact O-N 3.09Å |
| 43 | A | 86.9 | Confident | 86 | Confident | 6 Ų | 6 | 77.7 Ų | 77.7 | 5% | 0.05 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V28 A31 M32 Q39 Q40 R41 I46 L47 | V28-A43 HydrophobicContact CG1-CB 4.03Å; A31-A43 HydrophobicContact CB-CB 4.15Å; M32-A43 HydrophobicContact CB-CB 4.15Å; Q39-A43 WeakPolarHBondContact O-CB 3.37Å; Q39-A43 PolarHBondContact O-N 3.11Å; Q40-A43 PolarHBondContact O-N 2.81Å; R41-A43 PolarHBondContact O-N 2.68Å; A43-I46 PolarHBondContact O-N 3.39Å; A43-L47 WeakPolarHBondContact O-CB 3.24Å; A43-L47 WeakPolarHBondContact O-CG 3.36Å; A43-L47 PolarHBondContact O-N 3.15Å |
| 44 | Q | 88.9 | Confident | 85.8 | Confident | 107 Ų | 107 | 75.2 Ų | 75.2 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 177.3 | -178 | -179.4 | -2.8 | 0 | 0 | 112.4 | M32 Q40 R41 E42 L47 T48 | M32-Q44 HydrophobicContact CG-CB 4.5Å; Q40-Q44 WeakPolarHBondContact O-CB 3.21Å; Q40-Q44 PolarHBondContact O-N 3.16Å; R41-Q44 WeakPolarHBondContact O-CB 3.39Å; R41-Q44 PolarHBondContact O-N 2.97Å; E42-Q44 VanDerWaalsContact C-N 3.34Å; E42-Q44 PolarHBondContact O-N 3.31Å; Q44-L47 PolarHBondContact O-N 3.07Å; Q44-T48 WeakPolarHBondContact O-CB 3.49Å; Q44-T48 PolarHBondContact O-N 3.43Å; Q44-T48 PolarHBondContact O-OG1 3.12Å |
| 45 | E | 88.7 | Confident | 85.8 | Confident | 117 Ų | 117 | 73.8 Ų | 73.8 | 55% | 0.547 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 177.3 | -76.3 | 175 | -169.6 | 0 | 0 | 111.1 | R41 E42 T48 Q49 | R41-E45 WeakPolarHBondContact O-CG 3.49Å; R41-E45 PolarHBondContact O-N 3.07Å; E42-E45 PolarHBondContact O-N 3.26Å; E45-T48 PolarHBondContact O-N 3.19Å; E45-Q49 WeakPolarHBondContact O-CG 3.42Å; E45-Q49 PolarHBondContact O-N 3.45Å |
| 46 | I | 88.7 | Confident | 86.1 | Confident | 15 Ų | 15 | 73.4 Ų | 73.4 | 8% | 0.077 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 178.6 | -66.2 | 172.8 | 0 | 0 | 0 | 111 | A9 L13 E42 A43 T48 Q49 L50 | A9-I46 HydrophobicContact CB-CD1 3.44Å; A9-I46 VanDerWaalsContact CB-CD1 3.44Å; L13-I46 HydrophobicContact CG-CG2 4.46Å; E42-I46 WeakPolarHBondContact O-CG1 3.46Å; E42-I46 PolarHBondContact O-N 3.07Å; E42-I46 VanDerWaalsContact O-N 3.09Å; A43-I46 PolarHBondContact O-N 3.39Å; I46-T48 VanDerWaalsContact C-N 3.28Å; I46-T48 PolarHBondContact O-N 3.3Å; I46-Q49 PolarHBondContact O-N 3.48Å; I46-L50 WeakPolarHBondContact O-CB 3.35Å; I46-L50 PolarHBondContact O-N 3.35Å |
| 47 | L | 90.9 | Very high | 86.3 | Confident | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.4 | -30.6 | 176.9 | -68.9 | 171.2 | 0 | 0 | 0 | 112 | L25 V28 V29 M32 A43 Q44 K51 Y75 | L25-L47 HydrophobicContact CD1-CD2 3.77Å; V28-L47 HydrophobicContact CG1-CD1 4.29Å; V28-L47 HydrophobicContact CG1-CD2 4.16Å; V28-L47 HydrophobicContact CG1-CG 3.97Å; V29-L47 HydrophobicContact CG2-CD1 4.18Å; V29-L47 HydrophobicContact CG2-CD2 3.81Å; M32-L47 HydrophobicContact CB-CD1 3.85Å; M32-L47 HydrophobicContact CG-CD1 4.1Å; M32-L47 HydrophobicContact SD-CD1 3.5Å; M32-L47 WeakPolarHBondContact SD-CD1 3.38Å; A43-L47 WeakPolarHBondContact O-CB 3.24Å; A43-L47 WeakPolarHBondContact O-CG 3.36Å; A43-L47 PolarHBondContact O-N 3.15Å; Q44-L47 PolarHBondContact O-N 3.07Å; L47-K51 VanDerWaalsContact O-CB 3.29Å; L47-K51 WeakPolarHBondContact O-CB 3.46Å; L47-K51 PolarHBondContact O-N 2.9Å; L47-Y75 HydrophobicContact CB-CE2 3.93Å; L47-Y75 HydrophobicContact CD2-CD1 4.4Å; L47-Y75 HydrophobicContact CD2-CE1 3.92Å; L47-Y75 HydrophobicContact CD2-CE2 4.15Å; L47-Y75 PolarHBondContact O-OH 3.3Å |
| 48 | T | 88.2 | Confident | 86.3 | Confident | 60 Ų | 60 | 69.4 Ų | 69.4 | 37% | 0.368 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.2 | -49.1 | 175.7 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | Q44 E45 I46 L50 K51 E52 | Q44-T48 WeakPolarHBondContact O-CB 3.49Å; Q44-T48 PolarHBondContact O-N 3.43Å; Q44-T48 PolarHBondContact O-OG1 3.12Å; E45-T48 PolarHBondContact O-N 3.19Å; I46-T48 VanDerWaalsContact C-N 3.28Å; I46-T48 PolarHBondContact O-N 3.3Å; T48-L50 VanDerWaalsContact C-N 3.31Å; T48-L50 PolarHBondContact O-N 3.34Å; T48-K51 PolarHBondContact O-N 3Å; T48-K51 VanDerWaalsContact O-N 3.07Å; T48-E52 HydrophobicContact CG2-CG 4.47Å; T48-E52 WeakPolarHBondContact O-CG 3.41Å; T48-E52 PolarHBondContact O-N 3.44Å |
| 49 | Q | 88.1 | Confident | 86.5 | Confident | 102 Ų | 102 | 63.7 Ų | 63.7 | 48% | 0.477 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 176.9 | -70 | 176.9 | 31.8 | 0 | 0 | 112.1 | L13 E45 I46 K51 E52 H53 | L13-Q49 HydrophobicContact CD1-CB 4.2Å; L13-Q49 VanDerWaalsContact CD1-OE1 3.24Å; L13-Q49 HydrophobicContact CD2-CB 3.83Å; E45-Q49 WeakPolarHBondContact O-CG 3.42Å; E45-Q49 PolarHBondContact O-N 3.45Å; I46-Q49 PolarHBondContact O-N 3.48Å; Q49-K51 VanDerWaalsContact C-N 3.35Å; Q49-K51 PolarHBondContact O-N 2.72Å; Q49-E52 PolarHBondContact O-N 3.4Å; Q49-H53 PolarHBondContact O-N 3.15Å; Q49-H53 VanDerWaalsContact O-N 3.11Å |
| 50 | L | 89.2 | Confident | 86.9 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 176.3 | 178.7 | 63.3 | 0 | 0 | 0 | 111.5 | L13 F15 L25 I46 T48 H53 A56 Y75 | L13-L50 HydrophobicContact CD2-CB 3.79Å; L13-L50 HydrophobicContact CD2-CD1 4.49Å; F15-L50 HydrophobicContact CE2-CD1 4.03Å; F15-L50 HydrophobicContact CZ-CD1 3.75Å; L25-L50 HydrophobicContact CD1-CD2 3.9Å; I46-L50 WeakPolarHBondContact O-CB 3.35Å; I46-L50 PolarHBondContact O-N 3.35Å; T48-L50 VanDerWaalsContact C-N 3.31Å; T48-L50 PolarHBondContact O-N 3.34Å; L50-H53 PolarHBondContact O-N 3.49Å; L50-A56 WeakPolarHBondContact O-CB 3.47Å; L50-Y75 WeakPolarHBondContact CB-OH 3.27Å; L50-Y75 HydrophobicContact CD2-CE1 4.08Å |
| 51 | K | 87 | Confident | 86.9 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 29% | 0.287 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70.2 | -35 | -179.5 | -179.7 | 174 | 178.1 | -178.5 | 0 | 112.6 | L47 T48 Q49 H53 Y75 I79 | L47-K51 VanDerWaalsContact O-CB 3.29Å; L47-K51 WeakPolarHBondContact O-CB 3.46Å; L47-K51 PolarHBondContact O-N 2.9Å; T48-K51 PolarHBondContact O-N 3Å; T48-K51 VanDerWaalsContact O-N 3.07Å; Q49-K51 VanDerWaalsContact C-N 3.35Å; Q49-K51 PolarHBondContact O-N 2.72Å; K51-H53 VanDerWaalsContact C-N 3.34Å; K51-Y75 HydrophobicContact CB-CE2 4.16Å; K51-Y75 HydrophobicContact CD-CE2 4.36Å; K51-Y75 PolarHBondContact N-OH 3.18Å; K51-I79 HydrophobicContact CB-CG1 4.28Å; K51-I79 HydrophobicContact CG-CG1 4.06Å |
| 52 | E | 82.6 | Confident | 87 | Confident | 132 Ų | 132 | 52.9 Ų | 52.9 | 62% | 0.617 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -77.9 | -19.2 | 178.6 | -70.4 | 176.8 | 175.6 | 0 | 0 | 113 | T48 Q49 | T48-E52 HydrophobicContact CG2-CG 4.47Å; T48-E52 WeakPolarHBondContact O-CG 3.41Å; T48-E52 PolarHBondContact O-N 3.44Å; Q49-E52 PolarHBondContact O-N 3.4Å |
| 53 | H | 85.7 | Confident | 87.3 | Confident | 62 Ų | 62 | 50.3 Ų | 50.3 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -60 | 131.6 | -177.8 | -169.1 | -84.8 | 0 | 0 | 0 | 111.8 | F15 Q49 L50 K51 D55 A56 | F15-H53 AromaticContact CD1-CE1 3.77Å; F15-H53 AromaticContact CD1-ND1 3.71Å; F15-H53 AromaticContact CD2-CD2 3.62Å; F15-H53 AromaticContact CD2-CE1 3.33Å; F15-H53 WeakPolarHBondContact CD2-CE1 3.48Å; F15-H53 AromaticContact CD2-CG 3.62Å; F15-H53 AromaticContact CD2-ND1 3.42Å; F15-H53 WeakPolarHBondContact CD2-ND1 3.13Å; F15-H53 AromaticContact CD2-NE2 3.46Å; F15-H53 WeakPolarHBondContact CD2-NE2 3.12Å; F15-H53 AromaticContact CE1-ND1 3.51Å; F15-H53 HydrophobicContact CE2-CB 3.64Å; F15-H53 AromaticContact CE2-CD2 3.57Å; F15-H53 AromaticContact CE2-CE1 3.68Å; F15-H53 AromaticContact CE2-CG 3.16Å; F15-H53 AromaticContact CE2-ND1 3.23Å; F15-H53 WeakPolarHBondContact CE2-ND1 3.37Å; F15-H53 AromaticContact CE2-NE2 3.88Å; F15-H53 AromaticContact CG-CE1 3.39Å; F15-H53 WeakPolarHBondContact CG-CE1 3.43Å; F15-H53 AromaticContact CG-ND1 3.67Å; F15-H53 AromaticContact CG-NE2 3.9Å; F15-H53 HydrophobicContact CZ-CB 3.75Å; F15-H53 AromaticContact CZ-CG 3.51Å; F15-H53 AromaticContact CZ-ND1 3.27Å; F15-H53 VanDerWaalsContact CZ-ND1 3.27Å; F15-H53 WeakPolarHBondContact CZ-ND1 3.39Å; Q49-H53 PolarHBondContact O-N 3.15Å; Q49-H53 VanDerWaalsContact O-N 3.11Å; L50-H53 PolarHBondContact O-N 3.49Å; K51-H53 VanDerWaalsContact C-N 3.34Å; H53-D55 IonicContact CE1-OD2 3.65Å; H53-D55 PolarHBondContact ND1-N 2.99Å; H53-D55 VanDerWaalsContact ND1-N 3.14Å; H53-D55 PolarHBondContact O-N 3.04Å; H53-D55 VanDerWaalsContact O-N 3.09Å; H53-A56 HydrophobicContact CB-CB 4.29Å; H53-A56 VanDerWaalsContact O-CB 3.25Å; H53-A56 WeakPolarHBondContact O-CB 3.33Å; H53-A56 PolarHBondContact O-N 3.09Å |
| 54 | P | 81.6 | Confident | 87.4 | Confident | 63 Ų | 63 | 50.4 Ų | 50.4 | 41% | 0.409 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32.5 | -174.5 | -30.1 | 36 | 0 | 0 | 0 | 116.2 | W57 R87 | P54-W57 VanDerWaalsContact O-CD1 3.26Å; P54-W57 PolarHBondContact O-NE1 3.09Å; P54-R87 VanDerWaalsContact CB-NH1 3.32Å; P54-R87 PolarHBondContact O-NH1 2.72Å |
| 55 | D | 85.9 | Confident | 87.3 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 43% | 0.428 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 5.9 | -177.3 | -57.7 | -42.5 | 0 | 0 | 0 | 113.2 | F15 H53 W57 T58 | F15-D55 HydrophobicContact CD1-CB 3.83Å; F15-D55 VanDerWaalsContact CE1-C 3.49Å; F15-D55 HydrophobicContact CE1-CB 4.01Å; F15-D55 WeakPolarHBondContact CE1-O 3.26Å; H53-D55 IonicContact CE1-OD2 3.65Å; H53-D55 PolarHBondContact ND1-N 2.99Å; H53-D55 VanDerWaalsContact ND1-N 3.14Å; H53-D55 PolarHBondContact O-N 3.04Å; H53-D55 VanDerWaalsContact O-N 3.09Å; D55-W57 PolarHBondContact O-N 3.04Å; D55-W57 VanDerWaalsContact O-N 3.12Å; D55-T58 HydrophobicContact CB-CG2 4.36Å; D55-T58 WeakPolarHBondContact O-CB 3.49Å; D55-T58 WeakPolarHBondContact O-CG2 3.41Å; D55-T58 PolarHBondContact O-N 3.41Å; D55-T58 PolarHBondContact O-OG1 3Å |
| 56 | A | 87.2 | Confident | 87.4 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -54 | -36.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F15 L50 H53 T58 R59 I79 | F15-A56 HydrophobicContact CZ-CB 4.24Å; L50-A56 WeakPolarHBondContact O-CB 3.47Å; H53-A56 HydrophobicContact CB-CB 4.29Å; H53-A56 VanDerWaalsContact O-CB 3.25Å; H53-A56 WeakPolarHBondContact O-CB 3.33Å; H53-A56 PolarHBondContact O-N 3.09Å; A56-T58 PolarHBondContact O-N 3.23Å; A56-R59 WeakPolarHBondContact O-CB 3.36Å; A56-R59 PolarHBondContact O-N 2.86Å; A56-R59 VanDerWaalsContact O-N 3.15Å; A56-I79 HydrophobicContact CB-CD1 4.37Å; A56-I79 HydrophobicContact CB-CG2 3.71Å |
| 57 | W | 86.9 | Confident | 87.5 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -63.1 | -25.1 | 179.6 | 69.9 | -86.6 | 0 | 0 | 0 | 113.7 | P54 D55 R59 V60 I79 V83 L91 Q95 I99 | P54-W57 VanDerWaalsContact O-CD1 3.26Å; P54-W57 PolarHBondContact O-NE1 3.09Å; D55-W57 PolarHBondContact O-N 3.04Å; D55-W57 VanDerWaalsContact O-N 3.12Å; W57-R59 PolarHBondContact O-N 3.13Å; W57-R59 VanDerWaalsContact O-N 3.13Å; W57-V60 WeakPolarHBondContact O-CB 3.46Å; W57-V60 PolarHBondContact O-N 3.16Å; W57-I79 HydrophobicContact CB-CG2 4.25Å; W57-V83 HydrophobicContact CB-CB 4.16Å; W57-V83 HydrophobicContact CB-CG1 4.25Å; W57-V83 HydrophobicContact CB-CG2 3.65Å; W57-V83 HydrophobicContact CD2-CG1 4.49Å; W57-V83 HydrophobicContact CG-CB 4.43Å; W57-V83 HydrophobicContact CG-CG1 4.04Å; W57-V83 HydrophobicContact CG-CG2 3.92Å; W57-L91 HydrophobicContact CH2-CD2 4.18Å; W57-L91 HydrophobicContact CZ2-CD2 3.67Å; W57-Q95 HydrophobicContact CH2-CB 4.49Å; W57-Q95 HydrophobicContact CH2-CG 4.36Å; W57-I99 HydrophobicContact CE3-CD1 4.13Å; W57-I99 HydrophobicContact CZ3-CD1 4.14Å |
| 58 | T | 87.3 | Confident | 87.2 | Confident | 67 Ų | 67 | 59.3 Ų | 59.3 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -66.5 | -11.7 | 177.5 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | D55 A56 | D55-T58 HydrophobicContact CB-CG2 4.36Å; D55-T58 WeakPolarHBondContact O-CB 3.49Å; D55-T58 WeakPolarHBondContact O-CG2 3.41Å; D55-T58 PolarHBondContact O-N 3.41Å; D55-T58 PolarHBondContact O-OG1 3Å; A56-T58 PolarHBondContact O-N 3.23Å |
| 59 | R | 87.2 | Confident | 87.2 | Confident | 17 Ų | 17 | 57 Ų | 57 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -103 | -9.1 | -179.6 | -59.9 | 177.9 | 164.3 | -158.7 | -5.8 | 113 | L12 D14 F15 I20 A56 W57 D61 A62 I63 | L12-R59 PolarHBondContact O-NH1 3.42Å; D14-R59 PolarHBondContact O-NH2 2.8Å; F15-R59 HydrophobicContact CE1-CG 4.28Å; F15-R59 VanDerWaalsContact CE1-NE 3.34Å; I20-R59 HydrophobicContact CB-CB 4.47Å; I20-R59 HydrophobicContact CB-CG 4.42Å; I20-R59 HydrophobicContact CG2-CB 4.16Å; A56-R59 WeakPolarHBondContact O-CB 3.36Å; A56-R59 PolarHBondContact O-N 2.86Å; A56-R59 VanDerWaalsContact O-N 3.15Å; W57-R59 PolarHBondContact O-N 3.13Å; W57-R59 VanDerWaalsContact O-N 3.13Å; R59-D61 VanDerWaalsContact C-N 3.33Å; R59-D61 PolarHBondContact O-N 2.94Å; R59-A62 PolarHBondContact O-N 2.78Å; R59-I63 HydrophobicContact CB-CD1 4.22Å; R59-I63 WeakPolarHBondContact O-CD1 3.38Å; R59-I63 VanDerWaalsContact O-CG1 3.24Å; R59-I63 WeakPolarHBondContact O-CG1 3.42Å; R59-I63 PolarHBondContact O-N 3.23Å; R59-I63 VanDerWaalsContact O-N 3.08Å |
| 60 | V | 89.1 | Confident | 87.1 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | -170.7 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | W57 I63 L64 A76 I79 L80 | W57-V60 WeakPolarHBondContact O-CB 3.46Å; W57-V60 PolarHBondContact O-N 3.16Å; V60-I63 PolarHBondContact O-N 3.32Å; V60-L64 HydrophobicContact CG1-CD1 3.9Å; V60-L64 HydrophobicContact CG1-CG 4.02Å; V60-L64 WeakPolarHBondContact O-CB 3.31Å; V60-L64 VanDerWaalsContact O-CG 3.29Å; V60-L64 WeakPolarHBondContact O-CG 3.45Å; V60-L64 PolarHBondContact O-N 3.16Å; V60-A76 HydrophobicContact CG1-CB 4.27Å; V60-A76 HydrophobicContact CG2-CB 4.48Å; V60-I79 HydrophobicContact CG2-CB 4.14Å; V60-I79 HydrophobicContact CG2-CG2 4.04Å; V60-L80 HydrophobicContact CG1-CB 4.23Å; V60-L80 HydrophobicContact CG1-CD2 4.23Å |
| 61 | D | 86 | Confident | 87 | Confident | 82 Ų | 82 | 59.5 Ų | 59.5 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59 | -48.8 | 178.2 | 61.1 | -22.5 | 0 | 0 | 0 | 112.2 | R59 I63 L64 E65 Y102 | R59-D61 VanDerWaalsContact C-N 3.33Å; R59-D61 PolarHBondContact O-N 2.94Å; D61-I63 VanDerWaalsContact C-N 3.34Å; D61-I63 PolarHBondContact O-N 3.28Å; D61-L64 PolarHBondContact O-N 3.07Å; D61-E65 VanDerWaalsContact O-CB 3.31Å; D61-E65 WeakPolarHBondContact O-CB 3.43Å; D61-E65 PolarHBondContact O-N 3.24Å; D61-Y102 HydrophobicContact CB-CE1 4.48Å; D61-Y102 PolarHBondContact O-OH 3.34Å |
| 62 | A | 86.7 | Confident | 87.3 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 20% | 0.198 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | I20 R59 E65 Y66 | I20-A62 HydrophobicContact CG2-CB 4.39Å; R59-A62 PolarHBondContact O-N 2.78Å; A62-E65 PolarHBondContact O-N 3Å; A62-Y66 HydrophobicContact CB-CD2 4.2Å; A62-Y66 HydrophobicContact CB-CE2 4.42Å; A62-Y66 WeakPolarHBondContact O-CB 3.26Å; A62-Y66 WeakPolarHBondContact O-CD2 3.49Å; A62-Y66 PolarHBondContact O-N 3.14Å |
| 63 | I | 90.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 178.1 | -62.5 | 162.7 | 0 | 0 | 0 | 110.6 | I20 L25 R59 V60 D61 E65 S67 T72 A76 | I20-I63 HydrophobicContact CD1-CD1 4.07Å; I20-I63 HydrophobicContact CD1-CG1 4.33Å; I20-I63 HydrophobicContact CG2-CG1 4.06Å; L25-I63 HydrophobicContact CD2-CD1 3.63Å; L25-I63 HydrophobicContact CD2-CG1 3.8Å; L25-I63 HydrophobicContact CD2-CG2 4.05Å; R59-I63 HydrophobicContact CB-CD1 4.22Å; R59-I63 WeakPolarHBondContact O-CD1 3.38Å; R59-I63 VanDerWaalsContact O-CG1 3.24Å; R59-I63 WeakPolarHBondContact O-CG1 3.42Å; R59-I63 PolarHBondContact O-N 3.23Å; R59-I63 VanDerWaalsContact O-N 3.08Å; V60-I63 PolarHBondContact O-N 3.32Å; D61-I63 VanDerWaalsContact C-N 3.34Å; D61-I63 PolarHBondContact O-N 3.28Å; I63-E65 VanDerWaalsContact C-N 3.31Å; I63-E65 PolarHBondContact O-N 3.21Å; I63-S67 WeakPolarHBondContact O-CB 3.38Å; I63-S67 PolarHBondContact O-N 3.47Å; I63-T72 HydrophobicContact CG2-CG2 3.6Å; I63-A76 HydrophobicContact CB-CB 4.03Å; I63-A76 HydrophobicContact CD1-CB 4.3Å; I63-A76 HydrophobicContact CG2-CB 3.65Å |
| 64 | L | 89.4 | Confident | 87.8 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.5 | -31 | -179 | -66 | -171 | 0 | 0 | 0 | 112.7 | V60 D61 K73 A76 L77 Y102 L106 Y123 | V60-L64 HydrophobicContact CG1-CD1 3.9Å; V60-L64 HydrophobicContact CG1-CG 4.02Å; V60-L64 WeakPolarHBondContact O-CB 3.31Å; V60-L64 VanDerWaalsContact O-CG 3.29Å; V60-L64 WeakPolarHBondContact O-CG 3.45Å; V60-L64 PolarHBondContact O-N 3.16Å; D61-L64 PolarHBondContact O-N 3.07Å; L64-K73 HydrophobicContact CD2-CB 3.83Å; L64-K73 HydrophobicContact CD2-CG 4.07Å; L64-A76 HydrophobicContact CD2-CB 3.87Å; L64-A76 HydrophobicContact CG-CB 4.4Å; L64-L77 HydrophobicContact CD1-CD2 3.73Å; L64-L77 HydrophobicContact CD2-CD2 4.35Å; L64-L77 HydrophobicContact CD2-CG 4.29Å; L64-Y102 HydrophobicContact CD1-CE1 4.05Å; L64-L106 HydrophobicContact CD1-CD1 3.87Å; L64-Y123 HydrophobicContact CD2-CE2 4Å |
| 65 | E | 86.9 | Confident | 88.3 | Confident | 125 Ų | 125 | 49.8 Ų | 49.8 | 58% | 0.584 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -77.5 | -46.4 | 178.5 | -173.5 | 167.3 | -155.9 | 0 | 0 | 113 | D61 A62 I63 | D61-E65 VanDerWaalsContact O-CB 3.31Å; D61-E65 WeakPolarHBondContact O-CB 3.43Å; D61-E65 PolarHBondContact O-N 3.24Å; A62-E65 PolarHBondContact O-N 3Å; I63-E65 VanDerWaalsContact C-N 3.31Å; I63-E65 PolarHBondContact O-N 3.21Å |
| 66 | Y | 90.3 | Very high | 88.6 | Confident | 145 Ų | 145 | 46 Ų | 46 | 57% | 0.569 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -98.8 | -23.2 | -170.1 | -61.1 | -68.8 | 0 | 0 | 0 | 114.7 | A62 | A62-Y66 HydrophobicContact CB-CD2 4.2Å; A62-Y66 HydrophobicContact CB-CE2 4.42Å; A62-Y66 WeakPolarHBondContact O-CB 3.26Å; A62-Y66 WeakPolarHBondContact O-CD2 3.49Å; A62-Y66 PolarHBondContact O-N 3.14Å |
| 67 | S | 90.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -67 | 139.2 | -178.4 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | D26 I63 N69 T72 K73 | D26-S67 PolarHBondContact OD1-OG 3.44Å; D26-S67 PolarHBondContact OD2-OG 3.45Å; I63-S67 WeakPolarHBondContact O-CB 3.38Å; I63-S67 PolarHBondContact O-N 3.47Å; S67-N69 PolarHBondContact OG-N 3.39Å; S67-N69 VanDerWaalsContact OG-N 3.09Å; S67-N69 PolarHBondContact OG-O 3.16Å; S67-T72 WeakPolarHBondContact OG-CB 3.17Å; S67-K73 WeakPolarHBondContact O-CE 3.32Å; S67-K73 PolarHBondContact O-NZ 2.97Å; S67-K73 VanDerWaalsContact O-NZ 3.09Å | ||
| 68 | Q | 85.7 | Confident | 89.1 | Confident | 162 Ų | 162 | 46.5 Ų | 46.5 | 76% | 0.757 | 23% | 0.229 | S | C | * | . | trans | -99.9 | -7.3 | 171.2 | -59.2 | -57.1 | -42.6 | 0 | 0 | 111.8 | D26 P70 | D26-Q68 PolarHBondContact OD2-N 3.19Å; Q68-P70 WeakPolarHBondContact O-CD 3.34Å | ||
| 69 | N | 87.5 | Confident | 89.3 | Confident | 11 Ų | 11 | 43.4 Ų | 43.4 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | trans | -93.5 | 116.5 | -176.8 | -172 | -27.5 | 0 | 0 | 0 | 111.2 | D26 D30 S67 Q71 T72 K73 | D26-N69 HydrophobicContact CB-CB 4.08Å; D26-N69 VanDerWaalsContact CG-CB 3.48Å; D26-N69 WeakPolarHBondContact OD1-CB 3.4Å; D30-N69 PolarHBondContact OD1-ND2 2.84Å; D30-N69 PolarHBondContact OD2-ND2 3.03Å; S67-N69 PolarHBondContact OG-N 3.39Å; S67-N69 VanDerWaalsContact OG-N 3.09Å; S67-N69 PolarHBondContact OG-O 3.16Å; N69-Q71 VanDerWaalsContact C-N 3.26Å; N69-Q71 PolarHBondContact O-N 2.93Å; N69-Q71 VanDerWaalsContact OD1-CB 3.31Å; N69-Q71 WeakPolarHBondContact OD1-CB 3.3Å; N69-Q71 PolarHBondContact OD1-N 3.33Å; N69-Q71 PolarHBondContact OD1-OE1 2.86Å; N69-T72 WeakPolarHBondContact CB-OG1 3.23Å; N69-T72 PolarHBondContact O-N 3.28Å; N69-K73 PolarHBondContact O-N 3.18Å; N69-K73 VanDerWaalsContact O-N 3.13Å | ||
| 70 | P | 86 | Confident | 89.5 | Confident | 84 Ų | 84 | 42.9 Ų | 42.9 | 55% | 0.545 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.2 | -35.4 | 177.6 | -24.3 | 34.5 | 0 | 0 | 0 | 113.7 | Q68 K73 F74 | Q68-P70 WeakPolarHBondContact O-CD 3.34Å; P70-K73 PolarHBondContact O-N 3.01Å; P70-F74 WeakPolarHBondContact O-CB 3.27Å; P70-F74 PolarHBondContact O-N 3.47Å |
| 71 | Q | 88.4 | Confident | 89.6 | Confident | 73 Ų | 73 | 44.3 Ų | 44.3 | 34% | 0.341 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 178.5 | -68.3 | 88.3 | -42.5 | 0 | 0 | 111.2 | V29 Y33 N69 F74 Y75 | V29-Q71 HydrophobicContact CG1-CB 3.62Å; Y33-Q71 HydrophobicContact CD2-CB 3.86Å; Y33-Q71 HydrophobicContact CD2-CG 3.81Å; Y33-Q71 HydrophobicContact CE2-CB 3.6Å; Y33-Q71 HydrophobicContact CE2-CG 3.79Å; Y33-Q71 HydrophobicContact CG-CG 4.29Å; N69-Q71 VanDerWaalsContact C-N 3.26Å; N69-Q71 PolarHBondContact O-N 2.93Å; N69-Q71 VanDerWaalsContact OD1-CB 3.31Å; N69-Q71 WeakPolarHBondContact OD1-CB 3.3Å; N69-Q71 PolarHBondContact OD1-N 3.33Å; N69-Q71 PolarHBondContact OD1-OE1 2.86Å; Q71-F74 WeakPolarHBondContact O-CB 3.43Å; Q71-F74 PolarHBondContact O-N 3.42Å; Q71-Y75 WeakPolarHBondContact O-CB 3.45Å; Q71-Y75 PolarHBondContact O-N 2.66Å |
| 72 | T | 91.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 175.8 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | L25 D26 V29 I63 S67 N69 F74 Y75 A76 | L25-T72 HydrophobicContact CD2-CG2 3.55Å; L25-T72 HydrophobicContact CG-CG2 3.66Å; D26-T72 WeakPolarHBondContact OD1-CB 3.31Å; D26-T72 VanDerWaalsContact OD1-CG2 3.26Å; D26-T72 WeakPolarHBondContact OD1-CG2 3.47Å; D26-T72 PolarHBondContact OD1-OG1 3.44Å; V29-T72 HydrophobicContact CG2-CG2 4.3Å; I63-T72 HydrophobicContact CG2-CG2 3.6Å; S67-T72 WeakPolarHBondContact OG-CB 3.17Å; N69-T72 WeakPolarHBondContact CB-OG1 3.23Å; N69-T72 PolarHBondContact O-N 3.28Å; T72-F74 VanDerWaalsContact C-N 3.32Å; T72-F74 PolarHBondContact O-N 3.12Å; T72-Y75 PolarHBondContact O-N 3.49Å; T72-A76 WeakPolarHBondContact O-CB 3.35Å; T72-A76 PolarHBondContact O-N 3.37Å |
| 73 | K | 90.8 | Very high | 89.7 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 15% | 0.152 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 173.8 | -67.1 | -173.8 | -176.9 | -178.6 | 0 | 111.8 | L64 S67 N69 P70 A76 L77 Y123 | L64-K73 HydrophobicContact CD2-CB 3.83Å; L64-K73 HydrophobicContact CD2-CG 4.07Å; S67-K73 WeakPolarHBondContact O-CE 3.32Å; S67-K73 PolarHBondContact O-NZ 2.97Å; S67-K73 VanDerWaalsContact O-NZ 3.09Å; N69-K73 PolarHBondContact O-N 3.18Å; N69-K73 VanDerWaalsContact O-N 3.13Å; P70-K73 PolarHBondContact O-N 3.01Å; K73-A76 PolarHBondContact O-N 2.91Å; K73-L77 WeakPolarHBondContact O-CG 3.46Å; K73-L77 PolarHBondContact O-N 3.41Å; K73-Y123 HydrophobicContact CB-CD2 3.99Å; K73-Y123 HydrophobicContact CB-CE2 3.73Å; K73-Y123 HydrophobicContact CD-CE1 4.25Å; K73-Y123 HydrophobicContact CD-CE2 4.25Å |
| 74 | F | 89.6 | Confident | 89.6 | Confident | 70 Ų | 70 | 42.3 Ų | 42.3 | 31% | 0.307 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.1 | -164.2 | -86.1 | 0 | 0 | 0 | 111.7 | P70 Q71 T72 L77 Q78 K126 | P70-F74 WeakPolarHBondContact O-CB 3.27Å; P70-F74 PolarHBondContact O-N 3.47Å; Q71-F74 WeakPolarHBondContact O-CB 3.43Å; Q71-F74 PolarHBondContact O-N 3.42Å; T72-F74 VanDerWaalsContact C-N 3.32Å; T72-F74 PolarHBondContact O-N 3.12Å; F74-L77 WeakPolarHBondContact O-CB 3.27Å; F74-L77 PolarHBondContact O-N 3.19Å; F74-Q78 HydrophobicContact CD1-CG 4.22Å; F74-Q78 HydrophobicContact CE1-CG 4.25Å; F74-Q78 WeakPolarHBondContact O-CG 3.5Å; F74-Q78 PolarHBondContact O-N 3.27Å; F74-K126 HydrophobicContact CD2-CB 3.83Å; F74-K126 HydrophobicContact CD2-CG 3.88Å; F74-K126 HydrophobicContact CE1-CD 4.45Å; F74-K126 HydrophobicContact CE2-CB 3.57Å; F74-K126 HydrophobicContact CE2-CD 3.92Å; F74-K126 HydrophobicContact CE2-CG 3.65Å; F74-K126 HydrophobicContact CG-CG 4.49Å; F74-K126 HydrophobicContact CZ-CB 4.38Å; F74-K126 HydrophobicContact CZ-CD 3.84Å; F74-K126 HydrophobicContact CZ-CG 4.05Å |
| 75 | Y | 90.8 | Very high | 89.4 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 175.2 | 172 | -96.1 | 0 | 0 | 0 | 112 | L25 L47 L50 K51 Q71 T72 L77 Q78 I79 | L25-Y75 HydrophobicContact CD1-CE1 4.5Å; L47-Y75 HydrophobicContact CB-CE2 3.93Å; L47-Y75 HydrophobicContact CD2-CD1 4.4Å; L47-Y75 HydrophobicContact CD2-CE1 3.92Å; L47-Y75 HydrophobicContact CD2-CE2 4.15Å; L47-Y75 PolarHBondContact O-OH 3.3Å; L50-Y75 WeakPolarHBondContact CB-OH 3.27Å; L50-Y75 HydrophobicContact CD2-CE1 4.08Å; K51-Y75 HydrophobicContact CB-CE2 4.16Å; K51-Y75 HydrophobicContact CD-CE2 4.36Å; K51-Y75 PolarHBondContact N-OH 3.18Å; Q71-Y75 WeakPolarHBondContact O-CB 3.45Å; Q71-Y75 PolarHBondContact O-N 2.66Å; T72-Y75 PolarHBondContact O-N 3.49Å; Y75-L77 VanDerWaalsContact C-N 3.32Å; Y75-L77 PolarHBondContact O-N 3.02Å; Y75-Q78 WeakPolarHBondContact O-CB 3.4Å; Y75-Q78 PolarHBondContact O-N 3Å; Y75-I79 HydrophobicContact CD1-CD1 4.18Å; Y75-I79 HydrophobicContact CE1-CD1 3.58Å; Y75-I79 HydrophobicContact CE1-CG1 4.35Å; Y75-I79 PolarHBondContact O-N 3.29Å; Y75-I79 VanDerWaalsContact O-N 3.11Å |
| 76 | A | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -39.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | V60 I63 L64 T72 K73 Q78 I79 L80 | V60-A76 HydrophobicContact CG1-CB 4.27Å; V60-A76 HydrophobicContact CG2-CB 4.48Å; I63-A76 HydrophobicContact CB-CB 4.03Å; I63-A76 HydrophobicContact CD1-CB 4.3Å; I63-A76 HydrophobicContact CG2-CB 3.65Å; L64-A76 HydrophobicContact CD2-CB 3.87Å; L64-A76 HydrophobicContact CG-CB 4.4Å; T72-A76 WeakPolarHBondContact O-CB 3.35Å; T72-A76 PolarHBondContact O-N 3.37Å; K73-A76 PolarHBondContact O-N 2.91Å; A76-Q78 VanDerWaalsContact C-N 3.3Å; A76-Q78 PolarHBondContact O-N 3.07Å; A76-I79 WeakPolarHBondContact O-CB 3.18Å; A76-I79 PolarHBondContact O-N 3.35Å; A76-L80 PolarHBondContact O-N 2.9Å |
| 77 | L | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.1 | -32 | 172.4 | -68.8 | -179.3 | 0 | 0 | 0 | 112.8 | L64 K73 F74 Y75 I79 L80 D81 Y123 K126 L127 V130 | L64-L77 HydrophobicContact CD1-CD2 3.73Å; L64-L77 HydrophobicContact CD2-CD2 4.35Å; L64-L77 HydrophobicContact CD2-CG 4.29Å; K73-L77 WeakPolarHBondContact O-CG 3.46Å; K73-L77 PolarHBondContact O-N 3.41Å; F74-L77 WeakPolarHBondContact O-CB 3.27Å; F74-L77 PolarHBondContact O-N 3.19Å; Y75-L77 VanDerWaalsContact C-N 3.32Å; Y75-L77 PolarHBondContact O-N 3.02Å; L77-I79 VanDerWaalsContact C-N 3.35Å; L77-L80 PolarHBondContact O-N 3.32Å; L77-D81 WeakPolarHBondContact O-CB 3.35Å; L77-D81 PolarHBondContact O-N 3.46Å; L77-Y123 HydrophobicContact CD1-CD2 3.72Å; L77-Y123 HydrophobicContact CD1-CE2 3.54Å; L77-Y123 HydrophobicContact CG-CE2 4.1Å; L77-K126 HydrophobicContact CB-CG 3.84Å; L77-K126 HydrophobicContact CD1-CB 3.83Å; L77-K126 HydrophobicContact CD1-CG 3.64Å; L77-K126 HydrophobicContact CG-CG 4.43Å; L77-L127 HydrophobicContact CD1-CD2 4.02Å; L77-L127 HydrophobicContact CD1-CG 3.82Å; L77-L127 HydrophobicContact CD2-CD2 3.55Å; L77-L127 HydrophobicContact CD2-CG 4.31Å; L77-L127 HydrophobicContact CG-CD2 4.43Å; L77-V130 HydrophobicContact CB-CG2 4.25Å; L77-V130 HydrophobicContact CD2-CG2 4.44Å |
| 78 | Q | 90.9 | Very high | 88.3 | Confident | 52 Ų | 52 | 36 Ų | 36 | 24% | 0.243 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.3 | -36.7 | 172.7 | -65.8 | -177.9 | 7.5 | 0 | 0 | 112.4 | F74 Y75 A76 L80 N82 | F74-Q78 HydrophobicContact CD1-CG 4.22Å; F74-Q78 HydrophobicContact CE1-CG 4.25Å; F74-Q78 WeakPolarHBondContact O-CG 3.5Å; F74-Q78 PolarHBondContact O-N 3.27Å; Y75-Q78 WeakPolarHBondContact O-CB 3.4Å; Y75-Q78 PolarHBondContact O-N 3Å; A76-Q78 VanDerWaalsContact C-N 3.3Å; A76-Q78 PolarHBondContact O-N 3.07Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-N82 WeakPolarHBondContact O-CB 3.43Å; Q78-N82 PolarHBondContact O-N 3.45Å |
| 79 | I | 91.6 | Very high | 88 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 173.5 | -63.6 | 171.8 | 0 | 0 | 0 | 109.3 | K51 A56 W57 V60 Y75 A76 L77 N82 V83 | K51-I79 HydrophobicContact CB-CG1 4.28Å; K51-I79 HydrophobicContact CG-CG1 4.06Å; A56-I79 HydrophobicContact CB-CD1 4.37Å; A56-I79 HydrophobicContact CB-CG2 3.71Å; W57-I79 HydrophobicContact CB-CG2 4.25Å; V60-I79 HydrophobicContact CG2-CB 4.14Å; V60-I79 HydrophobicContact CG2-CG2 4.04Å; Y75-I79 HydrophobicContact CD1-CD1 4.18Å; Y75-I79 HydrophobicContact CE1-CD1 3.58Å; Y75-I79 HydrophobicContact CE1-CG1 4.35Å; Y75-I79 PolarHBondContact O-N 3.29Å; Y75-I79 VanDerWaalsContact O-N 3.11Å; A76-I79 WeakPolarHBondContact O-CB 3.18Å; A76-I79 PolarHBondContact O-N 3.35Å; L77-I79 VanDerWaalsContact C-N 3.35Å; I79-N82 PolarHBondContact O-N 2.95Å; I79-V83 PolarHBondContact O-N 3.21Å |
| 80 | L | 92.2 | Very high | 87.7 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | -179.6 | -168.2 | 59.3 | 0 | 0 | 0 | 112.1 | V60 A76 L77 Q78 N82 V83 I84 I99 V103 V130 | V60-L80 HydrophobicContact CG1-CB 4.23Å; V60-L80 HydrophobicContact CG1-CD2 4.23Å; A76-L80 PolarHBondContact O-N 2.9Å; L77-L80 PolarHBondContact O-N 3.32Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; L80-N82 VanDerWaalsContact C-N 3.35Å; L80-N82 PolarHBondContact O-N 3Å; L80-V83 PolarHBondContact O-N 3.48Å; L80-I84 HydrophobicContact CD1-CD1 4.42Å; L80-I84 HydrophobicContact CG-CD1 3.83Å; L80-I84 WeakPolarHBondContact O-CD1 3.27Å; L80-I84 VanDerWaalsContact O-CG1 3.27Å; L80-I84 WeakPolarHBondContact O-CG1 3.5Å; L80-I84 PolarHBondContact O-N 3.47Å; L80-I99 HydrophobicContact CD1-CD1 4.37Å; L80-I99 HydrophobicContact CD1-CG2 3.88Å; L80-I99 HydrophobicContact CD2-CG2 4.31Å; L80-I99 HydrophobicContact CG-CG2 4.43Å; L80-V103 HydrophobicContact CD2-CG2 3.81Å; L80-V130 HydrophobicContact CD2-CG1 4.08Å; L80-V130 HydrophobicContact CG-CG1 4.29Å |
| 81 | D | 90.7 | Very high | 87.6 | Confident | 33 Ų | 33 | 39.2 Ų | 39.2 | 18% | 0.176 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.2 | -47.1 | 174.8 | -165 | 18.5 | 0 | 0 | 0 | 111.5 | L77 V83 I84 T85 K126 V130 Q133 | L77-D81 WeakPolarHBondContact O-CB 3.35Å; L77-D81 PolarHBondContact O-N 3.46Å; D81-V83 PolarHBondContact O-N 2.94Å; D81-I84 PolarHBondContact O-N 3.11Å; D81-T85 WeakPolarHBondContact O-CB 3.49Å; D81-T85 VanDerWaalsContact O-CG2 3.28Å; D81-T85 WeakPolarHBondContact O-CG2 3.35Å; D81-T85 PolarHBondContact O-N 3.41Å; D81-T85 PolarHBondContact O-OG1 3.5Å; D81-K126 IonicContact OD2-NZ 3.76Å; D81-K126 PolarHBondContact OD2-NZ 3.19Å; D81-V130 HydrophobicContact CB-CG2 4.11Å; D81-Q133 VanDerWaalsContact OD1-CG 3.27Å; D81-Q133 WeakPolarHBondContact OD1-CG 3.34Å |
| 82 | N | 87.1 | Confident | 87.6 | Confident | 56 Ų | 56 | 39.1 Ų | 39.1 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.4 | -48.7 | 175 | -172.5 | -8.5 | 0 | 0 | 0 | 111 | Q78 I79 L80 I84 T85 T86 | Q78-N82 WeakPolarHBondContact O-CB 3.43Å; Q78-N82 PolarHBondContact O-N 3.45Å; I79-N82 PolarHBondContact O-N 2.95Å; L80-N82 VanDerWaalsContact C-N 3.35Å; L80-N82 PolarHBondContact O-N 3Å; N82-I84 PolarHBondContact O-N 3.39Å; N82-T85 WeakPolarHBondContact CA-OG1 3.44Å; N82-T85 PolarHBondContact O-N 3.33Å; N82-T85 VanDerWaalsContact O-N 3.16Å; N82-T85 PolarHBondContact O-OG1 2.9Å; N82-T86 WeakPolarHBondContact O-CB 3.39Å; N82-T86 PolarHBondContact O-N 2.93Å; N82-T86 PolarHBondContact O-OG1 2.89Å; N82-T86 VanDerWaalsContact OD1-CG2 3.28Å; N82-T86 WeakPolarHBondContact OD1-CG2 3.44Å; N82-T86 PolarHBondContact OD1-OG1 2.76Å; N82-T86 VanDerWaalsContact OD1-OG1 3.1Å |
| 83 | V | 88.9 | Confident | 87.4 | Confident | 10 Ų | 10 | 45 Ų | 45 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.4 | -37.3 | 179.7 | 171.2 | 0 | 0 | 0 | 0 | 112.8 | W57 I79 L80 D81 T85 R87 W88 L91 | W57-V83 HydrophobicContact CB-CB 4.16Å; W57-V83 HydrophobicContact CB-CG1 4.25Å; W57-V83 HydrophobicContact CB-CG2 3.65Å; W57-V83 HydrophobicContact CD2-CG1 4.49Å; W57-V83 HydrophobicContact CG-CB 4.43Å; W57-V83 HydrophobicContact CG-CG1 4.04Å; W57-V83 HydrophobicContact CG-CG2 3.92Å; I79-V83 PolarHBondContact O-N 3.21Å; L80-V83 PolarHBondContact O-N 3.48Å; D81-V83 PolarHBondContact O-N 2.94Å; V83-T85 VanDerWaalsContact C-N 3.33Å; V83-R87 HydrophobicContact CG1-CB 4.27Å; V83-R87 CarbonylContact O-C 3.48Å; V83-R87 WeakPolarHBondContact O-CA 3.32Å; V83-R87 PolarHBondContact O-N 3.03Å; V83-W88 PolarHBondContact O-N 2.98Å; V83-W88 VanDerWaalsContact O-N 3.13Å; V83-L91 HydrophobicContact CG1-CD1 3.87Å |
| 84 | I | 88.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.8 | -37.1 | 174.8 | -67.5 | 156.4 | 0 | 0 | 0 | 111.3 | L80 D81 N82 W88 V130 Q133 I134 R137 | L80-I84 HydrophobicContact CD1-CD1 4.42Å; L80-I84 HydrophobicContact CG-CD1 3.83Å; L80-I84 WeakPolarHBondContact O-CD1 3.27Å; L80-I84 VanDerWaalsContact O-CG1 3.27Å; L80-I84 WeakPolarHBondContact O-CG1 3.5Å; L80-I84 PolarHBondContact O-N 3.47Å; D81-I84 PolarHBondContact O-N 3.11Å; N82-I84 PolarHBondContact O-N 3.39Å; I84-W88 HydrophobicContact CB-CE3 4.11Å; I84-W88 HydrophobicContact CG1-CE3 3.61Å; I84-W88 HydrophobicContact CG1-CZ3 3.6Å; I84-W88 HydrophobicContact CG2-CD2 4.47Å; I84-W88 HydrophobicContact CG2-CE3 4.2Å; I84-W88 VanDerWaalsContact O-CB 3.29Å; I84-W88 WeakPolarHBondContact O-CB 3.35Å; I84-V130 HydrophobicContact CD1-CG1 3.46Å; I84-V130 VanDerWaalsContact CD1-CG1 3.46Å; I84-Q133 HydrophobicContact CG2-CB 3.85Å; I84-I134 HydrophobicContact CD1-CD1 3.93Å; I84-I134 HydrophobicContact CD1-CG1 3.59Å; I84-I134 HydrophobicContact CG1-CG1 4.03Å; I84-I134 HydrophobicContact CG2-CG1 3.98Å; I84-R137 PolarHBondContact O-NE 2.88Å |
| 85 | T | 83.4 | Confident | 87.3 | Confident | 45 Ų | 45 | 51.8 Ų | 51.8 | 28% | 0.276 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -79.2 | -32.1 | -178.5 | 54.2 | 0 | 0 | 0 | 0 | 113 | D81 N82 V83 Q133 R137 | D81-T85 WeakPolarHBondContact O-CB 3.49Å; D81-T85 VanDerWaalsContact O-CG2 3.28Å; D81-T85 WeakPolarHBondContact O-CG2 3.35Å; D81-T85 PolarHBondContact O-N 3.41Å; D81-T85 PolarHBondContact O-OG1 3.5Å; N82-T85 WeakPolarHBondContact CA-OG1 3.44Å; N82-T85 PolarHBondContact O-N 3.33Å; N82-T85 VanDerWaalsContact O-N 3.16Å; N82-T85 PolarHBondContact O-OG1 2.9Å; V83-T85 VanDerWaalsContact C-N 3.33Å; T85-Q133 HydrophobicContact CG2-CB 4.4Å; T85-Q133 HydrophobicContact CG2-CG 4.14Å; T85-R137 VanDerWaalsContact CG2-NH2 3.27Å |
| 86 | T | 77.8 | Confident | 87.3 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -112.5 | -20.1 | -172 | 62.6 | 0 | 0 | 0 | 0 | 116.1 | N82 E1061 | N82-T86 WeakPolarHBondContact O-CB 3.39Å; N82-T86 PolarHBondContact O-N 2.93Å; N82-T86 PolarHBondContact O-OG1 2.89Å; N82-T86 VanDerWaalsContact OD1-CG2 3.28Å; N82-T86 WeakPolarHBondContact OD1-CG2 3.44Å; N82-T86 PolarHBondContact OD1-OG1 2.76Å; N82-T86 VanDerWaalsContact OD1-OG1 3.1Å; T86-E1061 CarbonylContact C-O 3.11Å; T86-E1061 WeakPolarHBondContact CA-O 3.4Å |
| 87 | R | 81.5 | Confident | 87.2 | Confident | 85 Ų | 85 | 54 Ų | 54 | 32% | 0.321 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | 1 | -170.5 | -64.1 | -179 | -170.7 | -164.4 | 4.9 | 115.1 | P54 V83 R89 K90 L91 | P54-R87 VanDerWaalsContact CB-NH1 3.32Å; P54-R87 PolarHBondContact O-NH1 2.72Å; V83-R87 HydrophobicContact CG1-CB 4.27Å; V83-R87 CarbonylContact O-C 3.48Å; V83-R87 WeakPolarHBondContact O-CA 3.32Å; V83-R87 PolarHBondContact O-N 3.03Å; R87-R89 VanDerWaalsContact C-N 3.27Å; R87-R89 PolarHBondContact O-N 3.13Å; R87-R89 VanDerWaalsContact O-N 3.12Å; R87-K90 WeakPolarHBondContact O-CB 3.37Å; R87-K90 PolarHBondContact O-N 3.35Å; R87-L91 PolarHBondContact O-N 2.85Å |
| 88 | W | 85.9 | Confident | 87.2 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -40.8 | -173.2 | -168.2 | -102.4 | 0 | 0 | 0 | 114.4 | V83 I84 K90 L91 C96 I99 I134 R137 E138 | V83-W88 PolarHBondContact O-N 2.98Å; V83-W88 VanDerWaalsContact O-N 3.13Å; I84-W88 HydrophobicContact CB-CE3 4.11Å; I84-W88 HydrophobicContact CG1-CE3 3.61Å; I84-W88 HydrophobicContact CG1-CZ3 3.6Å; I84-W88 HydrophobicContact CG2-CD2 4.47Å; I84-W88 HydrophobicContact CG2-CE3 4.2Å; I84-W88 VanDerWaalsContact O-CB 3.29Å; I84-W88 WeakPolarHBondContact O-CB 3.35Å; W88-K90 VanDerWaalsContact C-N 3.29Å; W88-K90 PolarHBondContact O-N 2.83Å; W88-L91 HydrophobicContact CE3-CD1 4.31Å; W88-L91 PolarHBondContact O-N 3.09Å; W88-C96 HydrophobicContact CH2-CB 4.16Å; W88-C96 WeakPolarHBondContact CH2-O 3.43Å; W88-C96 HydrophobicContact CZ2-CB 3.77Å; W88-C96 PolarHBondContact O-SG 3Å; W88-I99 HydrophobicContact CH2-CB 4.1Å; W88-I99 HydrophobicContact CH2-CG2 4.06Å; W88-I99 HydrophobicContact CZ3-CB 4.1Å; W88-I99 HydrophobicContact CZ3-CD1 4.06Å; W88-I99 HydrophobicContact CZ3-CG2 3.87Å; W88-I134 HydrophobicContact CH2-CD1 4.31Å; W88-I134 HydrophobicContact CH2-CG1 4.11Å; W88-I134 HydrophobicContact CH2-CG2 4.09Å; W88-I134 HydrophobicContact CZ2-CG2 3.83Å; W88-I134 HydrophobicContact CZ3-CG1 4.41Å; W88-R137 HydrophobicContact CB-CG 4.37Å; W88-R137 HydrophobicContact CG-CB 4.2Å; W88-R137 HydrophobicContact CG-CG 4.25Å; W88-E138 HydrophobicContact CZ2-CG 4.03Å; W88-E138 PolarHBondContact NE1-OE1 3.46Å |
| 89 | R | 79.6 | Confident | 87.2 | Confident | 179 Ų | 179 | 54.2 Ų | 54.2 | 68% | 0.675 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -18.2 | 179.2 | -68.7 | -173 | -179.2 | 148.7 | 9.9 | 114.4 | R87 E1061 | R87-R89 VanDerWaalsContact C-N 3.27Å; R87-R89 PolarHBondContact O-N 3.13Å; R87-R89 VanDerWaalsContact O-N 3.12Å; R89-E1061 IonicContact CZ-OE2 2.82Å; R89-E1061 IonicContact NH1-OE1 2.87Å; R89-E1061 IonicContact NH1-OE2 2.64Å; R89-E1061 PolarHBondContact NH1-OE2 2.91Å; R89-E1061 IonicContact NH2-OE1 3.4Å; R89-E1061 IonicContact NH2-OE2 3.77Å |
| 90 | K | 80 | Confident | 87.3 | Confident | 125 Ų | 125 | 55 Ų | 55 | 54% | 0.543 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -25.1 | 179 | -53.9 | -173.4 | 87.6 | 158.4 | 0 | 112.5 | R87 W88 Y1062 | R87-K90 WeakPolarHBondContact O-CB 3.37Å; R87-K90 PolarHBondContact O-N 3.35Å; W88-K90 VanDerWaalsContact C-N 3.29Å; W88-K90 PolarHBondContact O-N 2.83Å; K90-Y1062 HydrophobicContact CD-CE1 3.74Å; K90-Y1062 HydrophobicContact CD-CE2 4.24Å; K90-Y1062 VanDerWaalsContact CD-CZ 3.42Å; K90-Y1062 WeakPolarHBondContact CD-OH 3.47Å; K90-Y1062 WeakPolarHBondContact CE-OH 3.24Å; K90-Y1062 VanDerWaalsContact NZ-CZ 3.31Å; K90-Y1062 PolarHBondContact NZ-OH 2.65Å |
| 91 | L | 84.3 | Confident | 87.4 | Confident | 20 Ų | 20 | 61.7 Ų | 61.7 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -64.7 | 136.2 | 179.3 | -66.9 | 177.5 | 0 | 0 | 0 | 109.3 | W57 V83 R87 W88 R93 I99 | W57-L91 HydrophobicContact CH2-CD2 4.18Å; W57-L91 HydrophobicContact CZ2-CD2 3.67Å; V83-L91 HydrophobicContact CG1-CD1 3.87Å; R87-L91 PolarHBondContact O-N 2.85Å; W88-L91 HydrophobicContact CE3-CD1 4.31Å; W88-L91 PolarHBondContact O-N 3.09Å; L91-R93 PolarHBondContact O-N 3.4Å; L91-I99 HydrophobicContact CD1-CD1 3.86Å |
| 92 | P | 88.4 | Confident | 87.5 | Confident | 71 Ų | 71 | 63.6 Ų | 63.6 | 46% | 0.461 | 30% | 0.297 | S | S | . | . | trans | -48.2 | 138.3 | 166.9 | -26.8 | 32.1 | 0 | 0 | 0 | 110.8 | E94 Q95 C96 | P92-E94 PolarHBondContact O-N 2.89Å; P92-E94 VanDerWaalsContact O-N 3.1Å; P92-Q95 HydrophobicContact CB-CG 4.31Å; P92-Q95 HydrophobicContact CG-CG 4.45Å; P92-Q95 WeakPolarHBondContact O-CA 3.46Å; P92-Q95 WeakPolarHBondContact O-CB 3.41Å; P92-Q95 PolarHBondContact O-N 3.12Å; P92-C96 PolarHBondContact O-N 3.29Å; P92-C96 VanDerWaalsContact O-N 3.12Å | ||
| 93 | R | 87.6 | Confident | 87.8 | Confident | 123 Ų | 123 | 61 Ų | 61 | 46% | 0.464 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.4 | -33.7 | -177.6 | -74.7 | -55.6 | -160.4 | 176.6 | 9.7 | 113.5 | L91 Q95 C96 E97 E138 E142 | L91-R93 PolarHBondContact O-N 3.4Å; R93-Q95 VanDerWaalsContact C-N 3.29Å; R93-Q95 PolarHBondContact O-N 3.03Å; R93-C96 PolarHBondContact O-N 3.26Å; R93-E97 WeakPolarHBondContact O-CG 3.29Å; R93-E97 PolarHBondContact O-N 2.87Å; R93-E138 IonicContact NH1-OE1 2.85Å; R93-E138 PolarHBondContact NH1-OE1 3.3Å; R93-E142 IonicContact CZ-OE1 3.72Å; R93-E142 IonicContact NH2-OE1 3.77Å; R93-E142 PolarHBondContact NH2-OE1 3.04Å |
| 94 | E | 90 | Very high | 88.1 | Confident | 172 Ų | 172 | 62.3 Ų | 62.3 | 80% | 0.804 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.2 | -37.8 | 174 | -64 | -177 | 173 | 0 | 0 | 112.7 | P92 G98 | P92-E94 PolarHBondContact O-N 2.89Å; P92-E94 VanDerWaalsContact O-N 3.1Å; E94-G98 PolarHBondContact O-N 3.21Å |
| 95 | Q | 89.1 | Confident | 88.3 | Confident | 76 Ų | 76 | 64 Ų | 64 | 36% | 0.355 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -73.6 | -40.6 | 176.7 | -65.3 | -177.8 | -11.2 | 0 | 0 | 111.4 | W57 P92 R93 E97 G98 I99 | W57-Q95 HydrophobicContact CH2-CB 4.49Å; W57-Q95 HydrophobicContact CH2-CG 4.36Å; P92-Q95 HydrophobicContact CB-CG 4.31Å; P92-Q95 HydrophobicContact CG-CG 4.45Å; P92-Q95 WeakPolarHBondContact O-CA 3.46Å; P92-Q95 WeakPolarHBondContact O-CB 3.41Å; P92-Q95 PolarHBondContact O-N 3.12Å; R93-Q95 VanDerWaalsContact C-N 3.29Å; R93-Q95 PolarHBondContact O-N 3.03Å; Q95-E97 VanDerWaalsContact C-N 3.33Å; Q95-E97 PolarHBondContact O-N 3.48Å; Q95-G98 PolarHBondContact O-N 3.38Å; Q95-I99 WeakPolarHBondContact O-CG1 3.31Å; Q95-I99 PolarHBondContact O-N 2.8Å |
| 96 | C | 89.2 | Confident | 88.7 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.007 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.3 | -48.7 | 172.2 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | W88 P92 R93 G98 I99 K100 | W88-C96 HydrophobicContact CH2-CB 4.16Å; W88-C96 WeakPolarHBondContact CH2-O 3.43Å; W88-C96 HydrophobicContact CZ2-CB 3.77Å; W88-C96 PolarHBondContact O-SG 3Å; P92-C96 PolarHBondContact O-N 3.29Å; P92-C96 VanDerWaalsContact O-N 3.12Å; R93-C96 PolarHBondContact O-N 3.26Å; C96-G98 VanDerWaalsContact C-N 3.34Å; C96-G98 PolarHBondContact O-N 3.13Å; C96-I99 PolarHBondContact O-N 3.36Å; C96-K100 VanDerWaalsContact O-CB 3.23Å; C96-K100 WeakPolarHBondContact O-CB 3.41Å; C96-K100 PolarHBondContact O-N 3.43Å |
| 97 | E | 91.9 | Very high | 89.5 | Confident | 60 Ų | 60 | 62.9 Ų | 62.9 | 28% | 0.28 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 176.5 | -76.3 | -57.9 | 123.2 | 0 | 0 | 112.4 | R93 Q95 K100 K101 | R93-E97 WeakPolarHBondContact O-CG 3.29Å; R93-E97 PolarHBondContact O-N 2.87Å; Q95-E97 VanDerWaalsContact C-N 3.33Å; Q95-E97 PolarHBondContact O-N 3.48Å; E97-K100 WeakPolarHBondContact OE1-CE 3.4Å; E97-K100 IonicContact OE1-NZ 3.92Å; E97-K100 PolarHBondContact OE1-NZ 3.03Å; E97-K100 WeakPolarHBondContact OE2-CE 3.29Å; E97-K100 IonicContact OE2-NZ 2.73Å; E97-K100 PolarHBondContact OE2-NZ 2.92Å; E97-K101 WeakPolarHBondContact O-CB 3.45Å; E97-K101 VanDerWaalsContact O-CG 3.29Å; E97-K101 WeakPolarHBondContact O-CG 3.4Å; E97-K101 PolarHBondContact O-N 2.63Å |
| 98 | G | 91.8 | Very high | 90.1 | Very high | 39 Ų | 39 | 62.4 Ų | 62.4 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61 | -52.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E94 Q95 C96 K100 K101 Y102 | E94-G98 PolarHBondContact O-N 3.21Å; Q95-G98 PolarHBondContact O-N 3.38Å; C96-G98 VanDerWaalsContact C-N 3.34Å; C96-G98 PolarHBondContact O-N 3.13Å; G98-K100 VanDerWaalsContact C-N 3.35Å; G98-K100 PolarHBondContact O-N 3.01Å; G98-K101 PolarHBondContact O-N 3.16Å; G98-Y102 VanDerWaalsContact O-CB 3.27Å; G98-Y102 WeakPolarHBondContact O-CB 3.41Å; G98-Y102 PolarHBondContact O-N 3.48Å |
| 99 | I | 92 | Very high | 90.3 | Very high | 17 Ų | 17 | 69.6 Ų | 69.6 | 9% | 0.087 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 177.2 | -65.9 | 166.3 | 0 | 0 | 0 | 110.1 | W57 L80 W88 L91 Q95 C96 K101 Y102 V103 I134 | W57-I99 HydrophobicContact CE3-CD1 4.13Å; W57-I99 HydrophobicContact CZ3-CD1 4.14Å; L80-I99 HydrophobicContact CD1-CD1 4.37Å; L80-I99 HydrophobicContact CD1-CG2 3.88Å; L80-I99 HydrophobicContact CD2-CG2 4.31Å; L80-I99 HydrophobicContact CG-CG2 4.43Å; W88-I99 HydrophobicContact CH2-CB 4.1Å; W88-I99 HydrophobicContact CH2-CG2 4.06Å; W88-I99 HydrophobicContact CZ3-CB 4.1Å; W88-I99 HydrophobicContact CZ3-CD1 4.06Å; W88-I99 HydrophobicContact CZ3-CG2 3.87Å; L91-I99 HydrophobicContact CD1-CD1 3.86Å; Q95-I99 WeakPolarHBondContact O-CG1 3.31Å; Q95-I99 PolarHBondContact O-N 2.8Å; C96-I99 PolarHBondContact O-N 3.36Å; I99-K101 PolarHBondContact O-N 3.02Å; I99-Y102 PolarHBondContact O-N 2.88Å; I99-V103 HydrophobicContact CG2-CG2 4.25Å; I99-V103 WeakPolarHBondContact O-CG2 3.32Å; I99-V103 PolarHBondContact O-N 3.49Å; I99-I134 HydrophobicContact CG2-CD1 4.22Å |
| 100 | K | 93.9 | Very high | 90.9 | Very high | 21 Ų | 21 | 61.8 Ų | 61.8 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.6 | -53.5 | 177.5 | -174.2 | -179.7 | 83.2 | -175.9 | 0 | 111.4 | C96 E97 G98 Y102 V104 I134 W143 | C96-K100 VanDerWaalsContact O-CB 3.23Å; C96-K100 WeakPolarHBondContact O-CB 3.41Å; C96-K100 PolarHBondContact O-N 3.43Å; E97-K100 WeakPolarHBondContact OE1-CE 3.4Å; E97-K100 IonicContact OE1-NZ 3.92Å; E97-K100 PolarHBondContact OE1-NZ 3.03Å; E97-K100 WeakPolarHBondContact OE2-CE 3.29Å; E97-K100 IonicContact OE2-NZ 2.73Å; E97-K100 PolarHBondContact OE2-NZ 2.92Å; G98-K100 VanDerWaalsContact C-N 3.35Å; G98-K100 PolarHBondContact O-N 3.01Å; K100-Y102 VanDerWaalsContact C-N 3.32Å; K100-Y102 PolarHBondContact O-N 2.9Å; K100-V104 WeakPolarHBondContact O-CB 3.39Å; K100-V104 VanDerWaalsContact O-CG2 3.23Å; K100-V104 WeakPolarHBondContact O-CG2 3.25Å; K100-V104 PolarHBondContact O-N 3.22Å; K100-I134 HydrophobicContact CB-CG2 4.5Å; K100-I134 HydrophobicContact CG-CG2 4.24Å; K100-W143 HydrophobicContact CD-CD2 4.06Å; K100-W143 HydrophobicContact CD-CE3 3.6Å; K100-W143 HydrophobicContact CD-CH2 4.13Å; K100-W143 HydrophobicContact CD-CZ3 3.64Å; K100-W143 HydrophobicContact CG-CE3 4.13Å; K100-W143 HydrophobicContact CG-CH2 3.89Å; K100-W143 HydrophobicContact CG-CZ3 3.61Å |
| 101 | K | 93.7 | Very high | 91.5 | Very high | 145 Ų | 145 | 55.8 Ų | 55.8 | 63% | 0.63 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.2 | -38 | 179.5 | -74.4 | 175.3 | -176.3 | 175.4 | 0 | 112.3 | E97 G98 I99 G105 | E97-K101 WeakPolarHBondContact O-CB 3.45Å; E97-K101 VanDerWaalsContact O-CG 3.29Å; E97-K101 WeakPolarHBondContact O-CG 3.4Å; E97-K101 PolarHBondContact O-N 2.63Å; G98-K101 PolarHBondContact O-N 3.16Å; I99-K101 PolarHBondContact O-N 3.02Å; K101-G105 PolarHBondContact O-N 3Å |
| 102 | Y | 92.6 | Very high | 91.9 | Very high | 73 Ų | 73 | 57 Ų | 57 | 29% | 0.286 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.6 | -50 | 179.3 | -179 | -103.5 | 0 | 0 | 0 | 112.1 | D61 L64 G98 I99 K100 V104 G105 L106 | D61-Y102 HydrophobicContact CB-CE1 4.48Å; D61-Y102 PolarHBondContact O-OH 3.34Å; L64-Y102 HydrophobicContact CD1-CE1 4.05Å; G98-Y102 VanDerWaalsContact O-CB 3.27Å; G98-Y102 WeakPolarHBondContact O-CB 3.41Å; G98-Y102 PolarHBondContact O-N 3.48Å; I99-Y102 PolarHBondContact O-N 2.88Å; K100-Y102 VanDerWaalsContact C-N 3.32Å; K100-Y102 PolarHBondContact O-N 2.9Å; Y102-V104 PolarHBondContact O-N 3.28Å; Y102-G105 PolarHBondContact O-N 2.89Å; Y102-L106 HydrophobicContact CD1-CD1 4Å; Y102-L106 HydrophobicContact CE1-CD1 3.42Å; Y102-L106 VanDerWaalsContact CE1-CD1 3.42Å; Y102-L106 HydrophobicContact CE1-CG 4.26Å; Y102-L106 HydrophobicContact CE2-CD1 4.43Å; Y102-L106 PolarHBondContact O-N 3.23Å |
| 103 | V | 93.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 177.3 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | L80 I99 G105 L106 V107 V130 L131 I134 | L80-V103 HydrophobicContact CD2-CG2 3.81Å; I99-V103 HydrophobicContact CG2-CG2 4.25Å; I99-V103 WeakPolarHBondContact O-CG2 3.32Å; I99-V103 PolarHBondContact O-N 3.49Å; V103-G105 VanDerWaalsContact C-N 3.35Å; V103-G105 PolarHBondContact O-N 2.91Å; V103-L106 PolarHBondContact O-N 3.14Å; V103-V107 HydrophobicContact CG1-CG2 4.46Å; V103-V107 WeakPolarHBondContact O-CG2 3.43Å; V103-V107 PolarHBondContact O-N 3.28Å; V103-V130 HydrophobicContact CG1-CG1 4.49Å; V103-V130 HydrophobicContact CG2-CG1 4.36Å; V103-L131 HydrophobicContact CG1-CB 4.08Å; V103-L131 HydrophobicContact CG1-CD1 4.46Å; V103-I134 HydrophobicContact CB-CD1 4.18Å; V103-I134 HydrophobicContact CG1-CD1 4.35Å; V103-I134 HydrophobicContact CG2-CD1 4.1Å |
| 104 | V | 94.4 | Very high | 91.8 | Very high | 39 Ų | 39 | 54 Ų | 54 | 24% | 0.236 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | K100 Y102 L106 V107 I108 L131 W143 | K100-V104 WeakPolarHBondContact O-CB 3.39Å; K100-V104 VanDerWaalsContact O-CG2 3.23Å; K100-V104 WeakPolarHBondContact O-CG2 3.25Å; K100-V104 PolarHBondContact O-N 3.22Å; Y102-V104 PolarHBondContact O-N 3.28Å; V104-L106 PolarHBondContact O-N 3.27Å; V104-V107 PolarHBondContact O-N 3.49Å; V104-I108 HydrophobicContact CG1-CD1 3.7Å; V104-I108 HydrophobicContact CG1-CG1 4.35Å; V104-I108 VanDerWaalsContact O-CG1 3.31Å; V104-I108 WeakPolarHBondContact O-CG1 3.44Å; V104-I108 PolarHBondContact O-N 3.44Å; V104-L131 HydrophobicContact CG2-CD1 3.91Å; V104-W143 HydrophobicContact CG2-CH2 3.6Å; V104-W143 HydrophobicContact CG2-CZ2 4.21Å |
| 105 | G | 93.6 | Very high | 91.8 | Very high | 36 Ų | 36 | 50.4 Ų | 50.4 | 37% | 0.371 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | K101 Y102 V103 K109 | K101-G105 PolarHBondContact O-N 3Å; Y102-G105 PolarHBondContact O-N 2.89Å; V103-G105 VanDerWaalsContact C-N 3.35Å; V103-G105 PolarHBondContact O-N 2.91Å; G105-K109 VanDerWaalsContact O-CB 3.3Å; G105-K109 WeakPolarHBondContact O-CB 3.29Å; G105-K109 PolarHBondContact O-N 2.67Å |
| 106 | L | 92 | Very high | 91.6 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 13% | 0.131 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 174.8 | -76 | 179.1 | 0 | 0 | 0 | 112.1 | L64 Y102 V103 V104 I108 K109 L110 L127 | L64-L106 HydrophobicContact CD1-CD1 3.87Å; Y102-L106 HydrophobicContact CD1-CD1 4Å; Y102-L106 HydrophobicContact CE1-CD1 3.42Å; Y102-L106 VanDerWaalsContact CE1-CD1 3.42Å; Y102-L106 HydrophobicContact CE1-CG 4.26Å; Y102-L106 HydrophobicContact CE2-CD1 4.43Å; Y102-L106 PolarHBondContact O-N 3.23Å; V103-L106 PolarHBondContact O-N 3.14Å; V104-L106 PolarHBondContact O-N 3.27Å; L106-I108 VanDerWaalsContact C-N 3.35Å; L106-I108 PolarHBondContact O-N 2.94Å; L106-K109 PolarHBondContact O-N 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.35Å; L106-L110 PolarHBondContact O-N 3.1Å; L106-L127 HydrophobicContact CB-CD1 4.32Å; L106-L127 HydrophobicContact CD1-CD2 4.34Å |
| 107 | V | 94.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 176.8 | 169.1 | 0 | 0 | 0 | 0 | 110.2 | V103 V104 L110 S111 L127 L131 N163 I167 | V103-V107 HydrophobicContact CG1-CG2 4.46Å; V103-V107 WeakPolarHBondContact O-CG2 3.43Å; V103-V107 PolarHBondContact O-N 3.28Å; V104-V107 PolarHBondContact O-N 3.49Å; V107-L110 PolarHBondContact O-N 2.83Å; V107-S111 VanDerWaalsContact O-CB 3.23Å; V107-S111 WeakPolarHBondContact O-CB 3.44Å; V107-S111 PolarHBondContact O-N 2.93Å; V107-S111 PolarHBondContact O-OG 3.49Å; V107-L127 HydrophobicContact CG2-CB 3.93Å; V107-L131 HydrophobicContact CG2-CD2 4.46Å; V107-N163 WeakPolarHBondContact CG1-ND2 3.44Å; V107-I167 HydrophobicContact CG1-CD1 4.12Å |
| 108 | I | 93.4 | Very high | 91.2 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 178.2 | -68.3 | 170.2 | 0 | 0 | 0 | 110.9 | V104 L106 L110 S112 L160 | V104-I108 HydrophobicContact CG1-CD1 3.7Å; V104-I108 HydrophobicContact CG1-CG1 4.35Å; V104-I108 VanDerWaalsContact O-CG1 3.31Å; V104-I108 WeakPolarHBondContact O-CG1 3.44Å; V104-I108 PolarHBondContact O-N 3.44Å; L106-I108 VanDerWaalsContact C-N 3.35Å; L106-I108 PolarHBondContact O-N 2.94Å; I108-L110 PolarHBondContact O-N 2.83Å; I108-S112 WeakPolarHBondContact O-CB 3.31Å; I108-S112 PolarHBondContact O-N 2.93Å; I108-S112 PolarHBondContact O-OG 2.95Å; I108-L160 HydrophobicContact CG1-CD1 4.45Å |
| 109 | K | 91.3 | Very high | 91 | Very high | 158 Ų | 158 | 55 Ų | 55 | 69% | 0.687 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -57.8 | -46.4 | -180 | 179.7 | -177.7 | 176.3 | -176.7 | 0 | 111.9 | G105 L106 | G105-K109 VanDerWaalsContact O-CB 3.3Å; G105-K109 WeakPolarHBondContact O-CB 3.29Å; G105-K109 PolarHBondContact O-N 2.67Å; L106-K109 PolarHBondContact O-N 3.26Å |
| 110 | L | 91.4 | Very high | 90.8 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -77.6 | -37.7 | -176.6 | -67.4 | 171.5 | 0 | 0 | 0 | 112.9 | L106 V107 I108 S117 E120 Y123 L124 L127 | L106-L110 WeakPolarHBondContact O-CG 3.35Å; L106-L110 PolarHBondContact O-N 3.1Å; V107-L110 PolarHBondContact O-N 2.83Å; I108-L110 PolarHBondContact O-N 2.83Å; L110-S117 WeakPolarHBondContact O-CB 3.39Å; L110-S117 PolarHBondContact O-N 3.43Å; L110-E120 WeakPolarHBondContact CD2-OE2 3.44Å; L110-Y123 HydrophobicContact CD1-CD1 3.65Å; L110-Y123 HydrophobicContact CD1-CE1 3.51Å; L110-L124 HydrophobicContact CB-CD1 4.16Å; L110-L127 HydrophobicContact CD1-CD1 3.47Å; L110-L127 VanDerWaalsContact CD1-CD1 3.47Å |
| 111 | S | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -81.5 | -22.9 | -177.8 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | V107 D113 S159 L160 | V107-S111 VanDerWaalsContact O-CB 3.23Å; V107-S111 WeakPolarHBondContact O-CB 3.44Å; V107-S111 PolarHBondContact O-N 2.93Å; V107-S111 PolarHBondContact O-OG 3.49Å; S111-D113 VanDerWaalsContact C-N 3.3Å; S111-D113 PolarHBondContact O-N 3.08Å; S111-S159 CarbonylContact O-C 3.2Å; S111-S159 WeakPolarHBondContact O-CB 3.41Å; S111-S159 PolarHBondContact O-OG 2.71Å; S111-L160 PolarHBondContact O-N 3.31Å; S111-L160 WeakPolarHBondContact OG-CD1 3.33Å |
| 112 | S | 92.3 | Very high | 90.2 | Very high | 44 Ų | 44 | 62 Ų | 62 | 31% | 0.308 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72.1 | -22.9 | 177.2 | -62.6 | 0 | 0 | 0 | 0 | 113.3 | I108 N157 | I108-S112 WeakPolarHBondContact O-CB 3.31Å; I108-S112 PolarHBondContact O-N 2.93Å; I108-S112 PolarHBondContact O-OG 2.95Å; S112-N157 VanDerWaalsContact CA-ND2 3.34Å; S112-N157 WeakPolarHBondContact CA-ND2 3.36Å; S112-N157 PolarHBondContact O-ND2 3.48Å |
| 113 | D | 89.3 | Confident | 90.1 | Very high | 74 Ų | 74 | 59.4 Ų | 59.4 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -97.2 | 116.7 | 173.5 | 176.5 | 5.9 | 0 | 0 | 0 | 110.6 | S111 V115 A116 S117 | S111-D113 VanDerWaalsContact C-N 3.3Å; S111-D113 PolarHBondContact O-N 3.08Å; D113-V115 PolarHBondContact O-N 3.24Å; D113-V115 PolarHBondContact OD1-N 2.97Å; D113-A116 HydrophobicContact CB-CB 3.85Å; D113-A116 PolarHBondContact O-N 2.91Å; D113-A116 WeakPolarHBondContact OD2-CB 3.46Å; D113-A116 PolarHBondContact OD2-N 3.49Å; D113-S117 VanDerWaalsContact O-CB 3.3Å; D113-S117 WeakPolarHBondContact O-CB 3.46Å; D113-S117 PolarHBondContact O-N 2.88Å; D113-S117 PolarHBondContact O-OG 3.27Å |
| 114 | A | 86 | Confident | 90.1 | Very high | 58 Ų | 58 | 59.6 Ų | 59.6 | 48% | 0.479 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.7 | -29.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | S117 V118 | A114-S117 WeakPolarHBondContact CA-OG 3.26Å; A114-S117 PolarHBondContact O-OG 3.19Å; A114-S117 VanDerWaalsContact O-OG 3.06Å; A114-V118 WeakPolarHBondContact O-CG2 3.42Å |
| 115 | V | 89 | Confident | 90 | Very high | 97 Ų | 97 | 60.6 Ų | 60.6 | 59% | 0.588 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -80.8 | -47.8 | 179.3 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | D113 S117 V118 R119 | D113-V115 PolarHBondContact O-N 3.24Å; D113-V115 PolarHBondContact OD1-N 2.97Å; V115-S117 VanDerWaalsContact C-N 3.35Å; V115-S117 PolarHBondContact O-N 3.31Å; V115-V118 PolarHBondContact O-N 3.39Å; V115-R119 WeakPolarHBondContact O-CB 3.29Å; V115-R119 PolarHBondContact O-N 3.02Å |
| 116 | A | 85.9 | Confident | 90 | Very high | 7 Ų | 7 | 60.5 Ų | 60.5 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D113 V118 R119 E120 | D113-A116 HydrophobicContact CB-CB 3.85Å; D113-A116 PolarHBondContact O-N 2.91Å; D113-A116 WeakPolarHBondContact OD2-CB 3.46Å; D113-A116 PolarHBondContact OD2-N 3.49Å; A116-V118 VanDerWaalsContact C-N 3.25Å; A116-V118 PolarHBondContact O-N 3.02Å; A116-R119 PolarHBondContact O-N 3.28Å; A116-E120 WeakPolarHBondContact O-CB 3.28Å; A116-E120 PolarHBondContact O-N 3.35Å |
| 117 | S | 85.2 | Confident | 90.1 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -30.8 | 179.9 | 59.8 | 0 | 0 | 0 | 0 | 114 | L110 D113 A114 V115 K121 S159 R162 | L110-S117 WeakPolarHBondContact O-CB 3.39Å; L110-S117 PolarHBondContact O-N 3.43Å; D113-S117 VanDerWaalsContact O-CB 3.3Å; D113-S117 WeakPolarHBondContact O-CB 3.46Å; D113-S117 PolarHBondContact O-N 2.88Å; D113-S117 PolarHBondContact O-OG 3.27Å; A114-S117 WeakPolarHBondContact CA-OG 3.26Å; A114-S117 PolarHBondContact O-OG 3.19Å; A114-S117 VanDerWaalsContact O-OG 3.06Å; V115-S117 VanDerWaalsContact C-N 3.35Å; V115-S117 PolarHBondContact O-N 3.31Å; S117-K121 WeakPolarHBondContact O-CA 3.41Å; S117-K121 PolarHBondContact O-N 2.93Å; S117-S159 PolarHBondContact OG-OG 3.06Å; S117-R162 VanDerWaalsContact CB-NH2 3.31Å; S117-R162 PolarHBondContact OG-NH2 2.72Å |
| 118 | V | 86.9 | Confident | 90.2 | Very high | 95 Ų | 95 | 59.1 Ų | 59.1 | 58% | 0.576 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -80.5 | -45.8 | 174.7 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | A114 V115 A116 E120 K121 | A114-V118 WeakPolarHBondContact O-CG2 3.42Å; V115-V118 PolarHBondContact O-N 3.39Å; A116-V118 VanDerWaalsContact C-N 3.25Å; A116-V118 PolarHBondContact O-N 3.02Å; V118-E120 VanDerWaalsContact C-N 3.31Å; V118-E120 PolarHBondContact O-N 3.01Å; V118-K121 PolarHBondContact O-N 3.43Å |
| 119 | R | 87.7 | Confident | 90.3 | Very high | 167 Ų | 167 | 58.1 Ų | 58.1 | 63% | 0.63 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.5 | -39.1 | -179.8 | -174.8 | -179.2 | 65.7 | -131.9 | -4.1 | 112.3 | V115 A116 | V115-R119 WeakPolarHBondContact O-CB 3.29Å; V115-R119 PolarHBondContact O-N 3.02Å; A116-R119 PolarHBondContact O-N 3.28Å |
| 120 | E | 86.7 | Confident | 90.5 | Very high | 52 Ų | 52 | 50.6 Ų | 50.6 | 24% | 0.243 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 26 | -173.9 | -64.3 | 175.9 | -146.6 | 0 | 0 | 112.2 | L110 A116 V118 L122 Y123 L124 | L110-E120 WeakPolarHBondContact CD2-OE2 3.44Å; A116-E120 WeakPolarHBondContact O-CB 3.28Å; A116-E120 PolarHBondContact O-N 3.35Å; V118-E120 VanDerWaalsContact C-N 3.31Å; V118-E120 PolarHBondContact O-N 3.01Å; E120-L122 VanDerWaalsContact C-N 3.28Å; E120-L122 PolarHBondContact O-N 2.91Å; E120-L122 VanDerWaalsContact O-N 3.14Å; E120-Y123 WeakPolarHBondContact O-CB 3.31Å; E120-Y123 PolarHBondContact O-N 3.28Å; E120-L124 PolarHBondContact O-N 2.92Å |
| 121 | K | 88.9 | Confident | 90.7 | Very high | 135 Ų | 135 | 50.1 Ų | 50.1 | 59% | 0.587 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -49.3 | -43.9 | -175.3 | -175.9 | 179.8 | -180 | -179 | 0 | 113.6 | S117 V118 L124 N125 | S117-K121 WeakPolarHBondContact O-CA 3.41Å; S117-K121 PolarHBondContact O-N 2.93Å; V118-K121 PolarHBondContact O-N 3.43Å; K121-L124 PolarHBondContact O-N 2.82Å; K121-N125 WeakPolarHBondContact O-CB 3.22Å; K121-N125 PolarHBondContact O-N 3.5Å; K121-N125 PolarHBondContact O-OD1 2.8Å |
| 122 | L | 88 | Confident | 90.8 | Very high | 142 Ų | 142 | 50.2 Ų | 50.2 | 74% | 0.743 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 179.6 | -68.2 | 175.2 | 0 | 0 | 0 | 112.3 | E120 N125 K126 | E120-L122 VanDerWaalsContact C-N 3.28Å; E120-L122 PolarHBondContact O-N 2.91Å; E120-L122 VanDerWaalsContact O-N 3.14Å; L122-N125 PolarHBondContact O-N 2.97Å; L122-K126 PolarHBondContact O-N 3.34Å; L122-K126 VanDerWaalsContact O-N 3.14Å |
| 123 | Y | 90.5 | Very high | 90.8 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 8% | 0.078 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 178 | 177.4 | -131.1 | 0 | 0 | 0 | 111.1 | L64 K73 L77 L110 E120 N125 K126 L127 | L64-Y123 HydrophobicContact CD2-CE2 4Å; K73-Y123 HydrophobicContact CB-CD2 3.99Å; K73-Y123 HydrophobicContact CB-CE2 3.73Å; K73-Y123 HydrophobicContact CD-CE1 4.25Å; K73-Y123 HydrophobicContact CD-CE2 4.25Å; L77-Y123 HydrophobicContact CD1-CD2 3.72Å; L77-Y123 HydrophobicContact CD1-CE2 3.54Å; L77-Y123 HydrophobicContact CG-CE2 4.1Å; L110-Y123 HydrophobicContact CD1-CD1 3.65Å; L110-Y123 HydrophobicContact CD1-CE1 3.51Å; E120-Y123 WeakPolarHBondContact O-CB 3.31Å; E120-Y123 PolarHBondContact O-N 3.28Å; Y123-N125 PolarHBondContact O-N 3.26Å; Y123-K126 PolarHBondContact O-N 3.29Å; Y123-L127 HydrophobicContact CD1-CD1 4.2Å; Y123-L127 HydrophobicContact CD2-CD1 4.46Å; Y123-L127 HydrophobicContact CE1-CD1 3.84Å; Y123-L127 HydrophobicContact CE2-CD1 4.1Å; Y123-L127 HydrophobicContact CE2-CG 4.17Å; Y123-L127 HydrophobicContact CG-CD1 4.48Å; Y123-L127 PolarHBondContact O-N 3.41Å |
| 124 | L | 92.9 | Very high | 91 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 175.8 | -177.9 | 58 | 0 | 0 | 0 | 112 | L110 E120 K121 K126 L127 N128 N163 | L110-L124 HydrophobicContact CB-CD1 4.16Å; E120-L124 PolarHBondContact O-N 2.92Å; K121-L124 PolarHBondContact O-N 2.82Å; L124-K126 PolarHBondContact O-N 3.25Å; L124-L127 WeakPolarHBondContact O-CB 3.36Å; L124-L127 PolarHBondContact O-N 3.1Å; L124-N128 PolarHBondContact O-N 3.5Å; L124-N128 PolarHBondContact O-ND2 3.47Å; L124-N128 PolarHBondContact O-OD1 3.2Å; L124-N163 WeakPolarHBondContact CD2-OD1 3.41Å; L124-N163 WeakPolarHBondContact CG-OD1 3.41Å |
| 125 | N | 92.9 | Very high | 91.3 | Very high | 60 Ų | 60 | 42.5 Ų | 42.5 | 32% | 0.321 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.9 | -76.7 | -7.1 | 0 | 0 | 0 | 112.1 | K121 L122 Y123 N128 M129 | K121-N125 WeakPolarHBondContact O-CB 3.22Å; K121-N125 PolarHBondContact O-N 3.5Å; K121-N125 PolarHBondContact O-OD1 2.8Å; L122-N125 PolarHBondContact O-N 2.97Å; Y123-N125 PolarHBondContact O-N 3.26Å; N125-N128 PolarHBondContact O-N 3.26Å; N125-M129 PolarHBondContact O-N 3.04Å; N125-M129 VanDerWaalsContact O-N 3.09Å |
| 126 | K | 93.3 | Very high | 91.4 | Very high | 34 Ų | 34 | 38.1 Ų | 38.1 | 15% | 0.148 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.9 | -37.6 | 176.2 | -173.8 | 60.6 | -176.1 | 168.5 | 0 | 111.9 | F74 L77 D81 L122 Y123 L124 N128 M129 V130 | F74-K126 HydrophobicContact CD2-CB 3.83Å; F74-K126 HydrophobicContact CD2-CG 3.88Å; F74-K126 HydrophobicContact CE1-CD 4.45Å; F74-K126 HydrophobicContact CE2-CB 3.57Å; F74-K126 HydrophobicContact CE2-CD 3.92Å; F74-K126 HydrophobicContact CE2-CG 3.65Å; F74-K126 HydrophobicContact CG-CG 4.49Å; F74-K126 HydrophobicContact CZ-CB 4.38Å; F74-K126 HydrophobicContact CZ-CD 3.84Å; F74-K126 HydrophobicContact CZ-CG 4.05Å; L77-K126 HydrophobicContact CB-CG 3.84Å; L77-K126 HydrophobicContact CD1-CB 3.83Å; L77-K126 HydrophobicContact CD1-CG 3.64Å; L77-K126 HydrophobicContact CG-CG 4.43Å; D81-K126 IonicContact OD2-NZ 3.76Å; D81-K126 PolarHBondContact OD2-NZ 3.19Å; L122-K126 PolarHBondContact O-N 3.34Å; L122-K126 VanDerWaalsContact O-N 3.14Å; Y123-K126 PolarHBondContact O-N 3.29Å; L124-K126 PolarHBondContact O-N 3.25Å; K126-N128 VanDerWaalsContact C-N 3.33Å; K126-N128 PolarHBondContact O-N 3.27Å; K126-M129 WeakPolarHBondContact O-CB 3.45Å; K126-M129 PolarHBondContact O-N 3.19Å; K126-V130 WeakPolarHBondContact O-CG2 3.39Å; K126-V130 PolarHBondContact O-N 3Å |
| 127 | L | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.5 | -42.7 | 171.7 | -80.7 | 168.2 | 0 | 0 | 0 | 112 | L77 L106 V107 L110 Y123 L124 M129 V130 L131 | L77-L127 HydrophobicContact CD1-CD2 4.02Å; L77-L127 HydrophobicContact CD1-CG 3.82Å; L77-L127 HydrophobicContact CD2-CD2 3.55Å; L77-L127 HydrophobicContact CD2-CG 4.31Å; L77-L127 HydrophobicContact CG-CD2 4.43Å; L106-L127 HydrophobicContact CB-CD1 4.32Å; L106-L127 HydrophobicContact CD1-CD2 4.34Å; V107-L127 HydrophobicContact CG2-CB 3.93Å; L110-L127 HydrophobicContact CD1-CD1 3.47Å; L110-L127 VanDerWaalsContact CD1-CD1 3.47Å; Y123-L127 HydrophobicContact CD1-CD1 4.2Å; Y123-L127 HydrophobicContact CD2-CD1 4.46Å; Y123-L127 HydrophobicContact CE1-CD1 3.84Å; Y123-L127 HydrophobicContact CE2-CD1 4.1Å; Y123-L127 HydrophobicContact CE2-CG 4.17Å; Y123-L127 HydrophobicContact CG-CD1 4.48Å; Y123-L127 PolarHBondContact O-N 3.41Å; L124-L127 WeakPolarHBondContact O-CB 3.36Å; L124-L127 PolarHBondContact O-N 3.1Å; L127-M129 VanDerWaalsContact C-N 3.33Å; L127-M129 PolarHBondContact O-N 3.12Å; L127-V130 PolarHBondContact O-N 2.86Å; L127-L131 WeakPolarHBondContact O-CB 3.45Å; L127-L131 PolarHBondContact O-N 2.88Å |
| 128 | N | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 176.4 | -67.4 | -20.7 | 0 | 0 | 0 | 111.3 | L124 N125 K126 L131 V132 N163 I167 L170 | L124-N128 PolarHBondContact O-N 3.5Å; L124-N128 PolarHBondContact O-ND2 3.47Å; L124-N128 PolarHBondContact O-OD1 3.2Å; N125-N128 PolarHBondContact O-N 3.26Å; K126-N128 VanDerWaalsContact C-N 3.33Å; K126-N128 PolarHBondContact O-N 3.27Å; N128-L131 WeakPolarHBondContact O-CB 3.46Å; N128-L131 PolarHBondContact O-N 3.45Å; N128-V132 WeakPolarHBondContact O-CG2 3.29Å; N128-V132 PolarHBondContact O-N 2.85Å; N128-N163 PolarHBondContact ND2-OD1 3.31Å; N128-N163 PolarHBondContact OD1-ND2 2.91Å; N128-I167 HydrophobicContact CB-CG1 3.99Å; N128-L170 HydrophobicContact CB-CD1 3.86Å |
| 129 | M | 94.5 | Very high | 91.7 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 27% | 0.271 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 174.2 | -70.1 | -61.5 | -69.7 | 0 | 0 | 112 | N125 K126 L127 L131 V132 Q133 L170 | N125-M129 PolarHBondContact O-N 3.04Å; N125-M129 VanDerWaalsContact O-N 3.09Å; K126-M129 WeakPolarHBondContact O-CB 3.45Å; K126-M129 PolarHBondContact O-N 3.19Å; L127-M129 VanDerWaalsContact C-N 3.33Å; L127-M129 PolarHBondContact O-N 3.12Å; M129-L131 VanDerWaalsContact C-N 3.32Å; M129-L131 PolarHBondContact O-N 3.33Å; M129-V132 PolarHBondContact O-N 2.88Å; M129-Q133 WeakPolarHBondContact O-CG 3.35Å; M129-Q133 PolarHBondContact O-N 3.5Å; M129-L170 HydrophobicContact CG-CD1 4.31Å; M129-L170 HydrophobicContact SD-CB 4.41Å; M129-L170 HydrophobicContact SD-CD1 3.7Å; M129-L170 HydrophobicContact SD-CD2 3.59Å; M129-L170 VanDerWaalsContact SD-CD2 3.59Å; M129-L170 HydrophobicContact SD-CG 4.08Å |
| 130 | V | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 111 | L77 L80 D81 I84 V103 K126 L127 Q133 I134 | L77-V130 HydrophobicContact CB-CG2 4.25Å; L77-V130 HydrophobicContact CD2-CG2 4.44Å; L80-V130 HydrophobicContact CD2-CG1 4.08Å; L80-V130 HydrophobicContact CG-CG1 4.29Å; D81-V130 HydrophobicContact CB-CG2 4.11Å; I84-V130 HydrophobicContact CD1-CG1 3.46Å; I84-V130 VanDerWaalsContact CD1-CG1 3.46Å; V103-V130 HydrophobicContact CG1-CG1 4.49Å; V103-V130 HydrophobicContact CG2-CG1 4.36Å; K126-V130 WeakPolarHBondContact O-CG2 3.39Å; K126-V130 PolarHBondContact O-N 3Å; L127-V130 PolarHBondContact O-N 2.86Å; V130-Q133 WeakPolarHBondContact O-CB 3.32Å; V130-Q133 PolarHBondContact O-N 3.05Å; V130-I134 WeakPolarHBondContact O-CG1 3.19Å; V130-I134 PolarHBondContact O-N 3.15Å |
| 131 | L | 96.2 | Very high | 91.4 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 175.1 | 177.4 | 61 | 0 | 0 | 0 | 111.5 | V103 V104 V107 L127 N128 M129 Q133 I134 V135 W143 I167 | V103-L131 HydrophobicContact CG1-CB 4.08Å; V103-L131 HydrophobicContact CG1-CD1 4.46Å; V104-L131 HydrophobicContact CG2-CD1 3.91Å; V107-L131 HydrophobicContact CG2-CD2 4.46Å; L127-L131 WeakPolarHBondContact O-CB 3.45Å; L127-L131 PolarHBondContact O-N 2.88Å; N128-L131 WeakPolarHBondContact O-CB 3.46Å; N128-L131 PolarHBondContact O-N 3.45Å; M129-L131 VanDerWaalsContact C-N 3.32Å; M129-L131 PolarHBondContact O-N 3.33Å; L131-Q133 VanDerWaalsContact C-N 3.28Å; L131-Q133 PolarHBondContact O-N 2.98Å; L131-I134 WeakPolarHBondContact O-CA 3.49Å; L131-I134 WeakPolarHBondContact O-CB 3.19Å; L131-I134 PolarHBondContact O-N 3.27Å; L131-V135 HydrophobicContact CD1-CG2 4.45Å; L131-V135 HydrophobicContact CG-CG2 4.5Å; L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 2.86Å; L131-W143 HydrophobicContact CD1-CH2 4.12Å; L131-W143 HydrophobicContact CD1-CZ3 4.25Å; L131-I167 HydrophobicContact CD2-CD1 3.8Å; L131-I167 HydrophobicContact CD2-CG1 4.43Å; L131-I167 HydrophobicContact CD2-CG2 4.44Å |
| 132 | V | 95 | Very high | 91.3 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.2 | -37.1 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | N128 M129 I134 V135 K136 I167 L170 L171 E174 | N128-V132 WeakPolarHBondContact O-CG2 3.29Å; N128-V132 PolarHBondContact O-N 2.85Å; M129-V132 PolarHBondContact O-N 2.88Å; V132-I134 VanDerWaalsContact C-N 3.34Å; V132-I134 PolarHBondContact O-N 3.21Å; V132-V135 PolarHBondContact O-N 2.9Å; V132-K136 HydrophobicContact CG1-CD 4.44Å; V132-K136 WeakPolarHBondContact O-CG 3.41Å; V132-K136 PolarHBondContact O-N 3.47Å; V132-I167 HydrophobicContact CG2-CG2 4.24Å; V132-L170 HydrophobicContact CG2-CB 3.95Å; V132-L171 HydrophobicContact CG1-CB 4.48Å; V132-L171 HydrophobicContact CG1-CD1 4.21Å; V132-L171 HydrophobicContact CG2-CB 4.46Å; V132-E174 HydrophobicContact CG1-CB 4.15Å; V132-E174 HydrophobicContact CG1-CG 3.81Å |
| 133 | Q | 92.3 | Very high | 91.5 | Very high | 15 Ų | 15 | 28.2 Ų | 28.2 | 7% | 0.07 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.8 | -40.5 | 172 | -63.9 | -49.1 | -42.3 | 0 | 0 | 111.7 | D81 I84 T85 M129 V130 L131 K136 R137 E174 | D81-Q133 VanDerWaalsContact OD1-CG 3.27Å; D81-Q133 WeakPolarHBondContact OD1-CG 3.34Å; I84-Q133 HydrophobicContact CG2-CB 3.85Å; T85-Q133 HydrophobicContact CG2-CB 4.4Å; T85-Q133 HydrophobicContact CG2-CG 4.14Å; M129-Q133 WeakPolarHBondContact O-CG 3.35Å; M129-Q133 PolarHBondContact O-N 3.5Å; V130-Q133 WeakPolarHBondContact O-CB 3.32Å; V130-Q133 PolarHBondContact O-N 3.05Å; L131-Q133 VanDerWaalsContact C-N 3.28Å; L131-Q133 PolarHBondContact O-N 2.98Å; Q133-K136 PolarHBondContact O-N 3.25Å; Q133-R137 WeakPolarHBondContact O-CD 3.39Å; Q133-R137 PolarHBondContact O-NH1 2.79Å; Q133-E174 PolarHBondContact NE2-OE2 3.03Å |
| 134 | I | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 173.1 | -62.7 | 171.2 | 0 | 0 | 0 | 110.7 | I84 W88 I99 K100 V103 V130 L131 V132 K136 R137 E138 W143 | I84-I134 HydrophobicContact CD1-CD1 3.93Å; I84-I134 HydrophobicContact CD1-CG1 3.59Å; I84-I134 HydrophobicContact CG1-CG1 4.03Å; I84-I134 HydrophobicContact CG2-CG1 3.98Å; W88-I134 HydrophobicContact CH2-CD1 4.31Å; W88-I134 HydrophobicContact CH2-CG1 4.11Å; W88-I134 HydrophobicContact CH2-CG2 4.09Å; W88-I134 HydrophobicContact CZ2-CG2 3.83Å; W88-I134 HydrophobicContact CZ3-CG1 4.41Å; I99-I134 HydrophobicContact CG2-CD1 4.22Å; K100-I134 HydrophobicContact CB-CG2 4.5Å; K100-I134 HydrophobicContact CG-CG2 4.24Å; V103-I134 HydrophobicContact CB-CD1 4.18Å; V103-I134 HydrophobicContact CG1-CD1 4.35Å; V103-I134 HydrophobicContact CG2-CD1 4.1Å; V130-I134 WeakPolarHBondContact O-CG1 3.19Å; V130-I134 PolarHBondContact O-N 3.15Å; L131-I134 WeakPolarHBondContact O-CA 3.49Å; L131-I134 WeakPolarHBondContact O-CB 3.19Å; L131-I134 PolarHBondContact O-N 3.27Å; V132-I134 VanDerWaalsContact C-N 3.34Å; V132-I134 PolarHBondContact O-N 3.21Å; I134-K136 VanDerWaalsContact C-N 3.32Å; I134-K136 PolarHBondContact O-N 3.42Å; I134-R137 PolarHBondContact O-N 3.5Å; I134-E138 HydrophobicContact CG2-CG 4.08Å; I134-E138 PolarHBondContact O-N 3.35Å; I134-W143 HydrophobicContact CG2-CZ3 4.34Å |
| 135 | V | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.1 | -44.2 | -180 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L131 V132 R137 E138 W139 W143 F146 L171 | L131-V135 HydrophobicContact CD1-CG2 4.45Å; L131-V135 HydrophobicContact CG-CG2 4.5Å; L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 2.86Å; V132-V135 PolarHBondContact O-N 2.9Å; V135-R137 PolarHBondContact O-N 3.42Å; V135-E138 PolarHBondContact O-N 3.44Å; V135-W139 HydrophobicContact CG1-CB 3.81Å; V135-W139 HydrophobicContact CG1-CD2 4.41Å; V135-W139 HydrophobicContact CG1-CE3 4.16Å; V135-W139 HydrophobicContact CG1-CG 4.31Å; V135-W139 WeakPolarHBondContact O-CB 3.34Å; V135-W139 PolarHBondContact O-N 3.06Å; V135-W143 HydrophobicContact CG2-CZ3 4.28Å; V135-F146 HydrophobicContact CG1-CD1 4.04Å; V135-F146 HydrophobicContact CG1-CE1 3.89Å; V135-F146 HydrophobicContact CG1-CZ 4.25Å; V135-F146 HydrophobicContact CG2-CD1 4.46Å; V135-F146 HydrophobicContact CG2-CD2 3.96Å; V135-F146 HydrophobicContact CG2-CE1 4.09Å; V135-F146 HydrophobicContact CG2-CE2 3.53Å; V135-F146 HydrophobicContact CG2-CG 4.41Å; V135-F146 HydrophobicContact CG2-CZ 3.61Å; V135-L171 HydrophobicContact CG1-CD1 3.85Å; V135-L171 HydrophobicContact CG1-CD2 4.23Å |
| 136 | K | 89.1 | Confident | 91.7 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 2% | 0.022 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.5 | -16.6 | 175.1 | -74.4 | 170.8 | 76.2 | 177.5 | 0 | 114.4 | V132 Q133 I134 E174 Q182 K187 | V132-K136 HydrophobicContact CG1-CD 4.44Å; V132-K136 WeakPolarHBondContact O-CG 3.41Å; V132-K136 PolarHBondContact O-N 3.47Å; Q133-K136 PolarHBondContact O-N 3.25Å; I134-K136 VanDerWaalsContact C-N 3.32Å; I134-K136 PolarHBondContact O-N 3.42Å; K136-E174 HydrophobicContact CD-CB 4.07Å; K136-E174 HydrophobicContact CD-CG 4.47Å; K136-E174 WeakPolarHBondContact CD-OE2 3.46Å; K136-E174 IonicContact NZ-OE2 2.91Å; K136-E174 PolarHBondContact NZ-OE2 3.31Å; K136-Q182 VanDerWaalsContact NZ-OE1 3.14Å; K136-K187 WeakPolarHBondContact O-CE 3.1Å; K136-K187 PolarHBondContact O-NZ 2.99Å |
| 137 | R | 86.8 | Confident | 91.8 | Very high | 64 Ų | 64 | 29.1 Ų | 29.1 | 24% | 0.242 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -104.3 | -34.7 | 178.9 | -75.4 | 82.6 | -175.2 | 151.9 | 1.2 | 112.6 | I84 T85 W88 Q133 I134 V135 | I84-R137 PolarHBondContact O-NE 2.88Å; T85-R137 VanDerWaalsContact CG2-NH2 3.27Å; W88-R137 HydrophobicContact CB-CG 4.37Å; W88-R137 HydrophobicContact CG-CB 4.2Å; W88-R137 HydrophobicContact CG-CG 4.25Å; Q133-R137 WeakPolarHBondContact O-CD 3.39Å; Q133-R137 PolarHBondContact O-NH1 2.79Å; I134-R137 PolarHBondContact O-N 3.5Å; V135-R137 PolarHBondContact O-N 3.42Å |
| 138 | E | 89.4 | Confident | 91.7 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -98.8 | -38.5 | -173.1 | -67.6 | -71 | 127.3 | 0 | 0 | 113.4 | W88 R93 I134 V135 K141 E142 W143 | W88-E138 HydrophobicContact CZ2-CG 4.03Å; W88-E138 PolarHBondContact NE1-OE1 3.46Å; R93-E138 IonicContact NH1-OE1 2.85Å; R93-E138 PolarHBondContact NH1-OE1 3.3Å; I134-E138 HydrophobicContact CG2-CG 4.08Å; I134-E138 PolarHBondContact O-N 3.35Å; V135-E138 PolarHBondContact O-N 3.44Å; E138-K141 PolarHBondContact O-N 3.15Å; E138-K141 VanDerWaalsContact O-N 3.16Å; E138-E142 HydrophobicContact CB-CB 4.4Å; E138-E142 PolarHBondContact O-N 3.06Å; E138-E142 WeakPolarHBondContact OE2-CB 3.12Å; E138-W143 HydrophobicContact CB-CB 4.2Å; E138-W143 HydrophobicContact CB-CE3 4.46Å; E138-W143 PolarHBondContact O-N 3Å |
| 139 | W | 88.6 | Confident | 91.7 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 2% | 0.023 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 135.7 | 179 | 174.9 | 80.3 | 0 | 0 | 0 | 110.4 | V135 F146 I147 L191 Q194 F195 E198 | V135-W139 HydrophobicContact CG1-CB 3.81Å; V135-W139 HydrophobicContact CG1-CD2 4.41Å; V135-W139 HydrophobicContact CG1-CE3 4.16Å; V135-W139 HydrophobicContact CG1-CG 4.31Å; V135-W139 WeakPolarHBondContact O-CB 3.34Å; V135-W139 PolarHBondContact O-N 3.06Å; W139-F146 HydrophobicContact CG-CB 4.47Å; W139-I147 HydrophobicContact CZ2-CG1 4.28Å; W139-L191 HydrophobicContact CE3-CD2 3.71Å; W139-L191 HydrophobicContact CZ3-CB 4.48Å; W139-L191 HydrophobicContact CZ3-CD2 3.83Å; W139-L191 WeakPolarHBondContact O-CD2 3.24Å; W139-Q194 HydrophobicContact CH2-CB 4.12Å; W139-Q194 HydrophobicContact CH2-CG 4.08Å; W139-Q194 HydrophobicContact CZ2-CB 4.04Å; W139-Q194 HydrophobicContact CZ2-CG 3.48Å; W139-Q194 VanDerWaalsContact CZ2-CG 3.48Å; W139-F195 HydrophobicContact CH2-CB 3.66Å; W139-F195 HydrophobicContact CH2-CD2 4.39Å; W139-F195 AromaticContact CH2-CG 3.97Å; W139-F195 HydrophobicContact CH2-CG 3.97Å; W139-F195 HydrophobicContact CZ2-CB 4.43Å; W139-E198 PolarHBondContact NE1-OE2 2.93Å |
| 140 | P | 84 | Confident | 91.7 | Very high | 14 Ų | 14 | 37.4 Ų | 37.4 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.2 | -11.1 | 3.4 | 30.4 | -32.5 | 0 | 0 | 0 | 117.1 | P144 H190 Q194 | P140-P144 WeakPolarHBondContact O-CA 3.46Å; P140-H190 WeakPolarHBondContact CG-NE2 3.48Å; P140-Q194 HydrophobicContact CB-CG 3.66Å; P140-Q194 HydrophobicContact CG-CB 4.22Å; P140-Q194 HydrophobicContact CG-CG 3.76Å |
| 141 | K | 84.3 | Confident | 91.6 | Very high | 178 Ų | 178 | 38.4 Ų | 38.4 | 77% | 0.774 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -48.9 | -165.5 | -68.8 | -176.4 | 178.1 | -179.2 | 0 | 114.2 | E138 | E138-K141 PolarHBondContact O-N 3.15Å; E138-K141 VanDerWaalsContact O-N 3.16Å |
| 142 | E | 87.4 | Confident | 91.5 | Very high | 101 Ų | 101 | 40.4 Ų | 40.4 | 47% | 0.472 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -13.7 | -174.5 | -60.2 | -71.5 | -178.4 | 0 | 0 | 111.9 | R93 E138 P144 | R93-E142 IonicContact CZ-OE1 3.72Å; R93-E142 IonicContact NH2-OE1 3.77Å; R93-E142 PolarHBondContact NH2-OE1 3.04Å; E138-E142 HydrophobicContact CB-CB 4.4Å; E138-E142 PolarHBondContact O-N 3.06Å; E138-E142 WeakPolarHBondContact OE2-CB 3.12Å; E142-P144 VanDerWaalsContact C-CD 3.45Å |
| 143 | W | 92 | Very high | 91.5 | Very high | 27 Ų | 27 | 41.9 Ų | 41.9 | 10% | 0.102 | 22% | 0.222 | C | C | . | . | trans | -131.3 | 59.3 | 176.8 | -158.8 | -7.9 | 0 | 0 | 0 | 113 | K100 V104 L131 I134 V135 E138 T145 F146 D149 | K100-W143 HydrophobicContact CD-CD2 4.06Å; K100-W143 HydrophobicContact CD-CE3 3.6Å; K100-W143 HydrophobicContact CD-CH2 4.13Å; K100-W143 HydrophobicContact CD-CZ3 3.64Å; K100-W143 HydrophobicContact CG-CE3 4.13Å; K100-W143 HydrophobicContact CG-CH2 3.89Å; K100-W143 HydrophobicContact CG-CZ3 3.61Å; V104-W143 HydrophobicContact CG2-CH2 3.6Å; V104-W143 HydrophobicContact CG2-CZ2 4.21Å; L131-W143 HydrophobicContact CD1-CH2 4.12Å; L131-W143 HydrophobicContact CD1-CZ3 4.25Å; I134-W143 HydrophobicContact CG2-CZ3 4.34Å; V135-W143 HydrophobicContact CG2-CZ3 4.28Å; E138-W143 HydrophobicContact CB-CB 4.2Å; E138-W143 HydrophobicContact CB-CE3 4.46Å; E138-W143 PolarHBondContact O-N 3Å; W143-T145 PolarHBondContact O-N 3.06Å; W143-F146 HydrophobicContact CD2-CB 4.08Å; W143-F146 HydrophobicContact CD2-CD2 4.16Å; W143-F146 AromaticContact CE2-CD2 3.92Å; W143-F146 HydrophobicContact CE3-CD2 4.31Å; W143-F146 HydrophobicContact CG-CB 3.93Å; W143-F146 HydrophobicContact CH2-CD2 4.06Å; W143-F146 HydrophobicContact CH2-CE2 4.46Å; W143-F146 AromaticContact CZ2-CD2 3.89Å; W143-F146 HydrophobicContact CZ2-CD2 3.89Å; W143-F146 HydrophobicContact CZ3-CD2 4.27Å; W143-F146 WeakPolarHBondContact O-CB 3.4Å; W143-F146 PolarHBondContact O-N 2.94Å; W143-D149 PolarHBondContact NE1-OD2 3.49Å | ||
| 144 | P | 91.8 | Very high | 91.6 | Very high | 73 Ų | 73 | 41.5 Ų | 41.5 | 47% | 0.474 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.1 | -175.5 | 27.1 | -36.1 | 0 | 0 | 0 | 113.8 | P140 E142 | P140-P144 WeakPolarHBondContact O-CA 3.46Å; E142-P144 VanDerWaalsContact C-CD 3.45Å |
| 145 | T | 93.9 | Very high | 91.5 | Very high | 58 Ų | 58 | 46.8 Ų | 46.8 | 36% | 0.356 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -4 | -179.6 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | W143 I147 Q148 D149 | W143-T145 PolarHBondContact O-N 3.06Å; T145-I147 PolarHBondContact O-N 3.42Å; T145-Q148 CarbonylContact O-C 3.57Å; T145-Q148 WeakPolarHBondContact O-CA 3.29Å; T145-Q148 WeakPolarHBondContact O-CB 3.49Å; T145-Q148 PolarHBondContact O-N 3.33Å; T145-D149 WeakPolarHBondContact CB-OD2 3.2Å; T145-D149 PolarHBondContact O-N 3.41Å; T145-D149 PolarHBondContact OG1-OD2 3.28Å |
| 146 | F | 94.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -50 | -50.4 | -169.6 | 171.6 | -104.4 | 0 | 0 | 0 | 113.8 | V135 W139 W143 Q148 D149 I150 I167 L171 | V135-F146 HydrophobicContact CG1-CD1 4.04Å; V135-F146 HydrophobicContact CG1-CE1 3.89Å; V135-F146 HydrophobicContact CG1-CZ 4.25Å; V135-F146 HydrophobicContact CG2-CD1 4.46Å; V135-F146 HydrophobicContact CG2-CD2 3.96Å; V135-F146 HydrophobicContact CG2-CE1 4.09Å; V135-F146 HydrophobicContact CG2-CE2 3.53Å; V135-F146 HydrophobicContact CG2-CG 4.41Å; V135-F146 HydrophobicContact CG2-CZ 3.61Å; W139-F146 HydrophobicContact CG-CB 4.47Å; W143-F146 HydrophobicContact CD2-CB 4.08Å; W143-F146 HydrophobicContact CD2-CD2 4.16Å; W143-F146 AromaticContact CE2-CD2 3.92Å; W143-F146 HydrophobicContact CE3-CD2 4.31Å; W143-F146 HydrophobicContact CG-CB 3.93Å; W143-F146 HydrophobicContact CH2-CD2 4.06Å; W143-F146 HydrophobicContact CH2-CE2 4.46Å; W143-F146 AromaticContact CZ2-CD2 3.89Å; W143-F146 HydrophobicContact CZ2-CD2 3.89Å; W143-F146 HydrophobicContact CZ3-CD2 4.27Å; W143-F146 WeakPolarHBondContact O-CB 3.4Å; W143-F146 PolarHBondContact O-N 2.94Å; F146-Q148 VanDerWaalsContact C-N 3.34Å; F146-Q148 PolarHBondContact O-N 3.35Å; F146-D149 PolarHBondContact O-N 3.19Å; F146-I150 HydrophobicContact CD2-CG1 4.18Å; F146-I150 HydrophobicContact CE1-CG1 4.2Å; F146-I150 HydrophobicContact CE2-CD1 3.98Å; F146-I150 HydrophobicContact CE2-CG1 3.68Å; F146-I150 HydrophobicContact CZ-CD1 4.13Å; F146-I150 HydrophobicContact CZ-CG1 3.69Å; F146-I150 WeakPolarHBondContact O-CG1 3.49Å; F146-I150 PolarHBondContact O-N 2.91Å; F146-I167 HydrophobicContact CZ-CG2 4.21Å; F146-L171 HydrophobicContact CE1-CD2 3.89Å |
| 147 | I | 94.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 179.6 | -63.4 | -61.2 | 0 | 0 | 0 | 111.3 | W139 T145 D149 I150 V151 L168 F195 E198 V202 | W139-I147 HydrophobicContact CZ2-CG1 4.28Å; T145-I147 PolarHBondContact O-N 3.42Å; I147-D149 VanDerWaalsContact C-N 3.35Å; I147-I150 PolarHBondContact O-N 2.74Å; I147-V151 HydrophobicContact CG2-CG2 4.42Å; I147-V151 WeakPolarHBondContact O-CB 3.49Å; I147-V151 VanDerWaalsContact O-CG2 3.27Å; I147-V151 WeakPolarHBondContact O-CG2 3.48Å; I147-V151 PolarHBondContact O-N 3.41Å; I147-L168 HydrophobicContact CD1-CD2 4.12Å; I147-F195 HydrophobicContact CD1-CD2 4.47Å; I147-F195 HydrophobicContact CD1-CE2 4.05Å; I147-E198 HydrophobicContact CB-CB 4.36Å; I147-E198 HydrophobicContact CG1-CB 4.25Å; I147-E198 WeakPolarHBondContact CG1-OE2 3.49Å; I147-E198 HydrophobicContact CG2-CB 4.23Å; I147-V202 HydrophobicContact CG2-CG2 3.65Å |
| 148 | Q | 93.9 | Very high | 91.7 | Very high | 134 Ų | 134 | 54.3 Ų | 54.3 | 63% | 0.626 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65 | -39.8 | 176.8 | -61 | 177.9 | -3.5 | 0 | 0 | 111.6 | T145 F146 V151 G152 | T145-Q148 CarbonylContact O-C 3.57Å; T145-Q148 WeakPolarHBondContact O-CA 3.29Å; T145-Q148 WeakPolarHBondContact O-CB 3.49Å; T145-Q148 PolarHBondContact O-N 3.33Å; F146-Q148 VanDerWaalsContact C-N 3.34Å; F146-Q148 PolarHBondContact O-N 3.35Å; Q148-V151 PolarHBondContact O-N 2.95Å; Q148-G152 PolarHBondContact O-N 3.42Å |
| 149 | D | 94.2 | Very high | 91.8 | Very high | 80 Ų | 80 | 54.6 Ų | 54.6 | 43% | 0.428 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 178 | -62.5 | -31.2 | 0 | 0 | 0 | 110.7 | W143 T145 F146 I147 G152 A153 | W143-D149 PolarHBondContact NE1-OD2 3.49Å; T145-D149 WeakPolarHBondContact CB-OD2 3.2Å; T145-D149 PolarHBondContact O-N 3.41Å; T145-D149 PolarHBondContact OG1-OD2 3.28Å; F146-D149 PolarHBondContact O-N 3.19Å; I147-D149 VanDerWaalsContact C-N 3.35Å; D149-G152 PolarHBondContact O-N 3.32Å; D149-A153 WeakPolarHBondContact O-CB 3.24Å; D149-A153 PolarHBondContact O-N 2.93Å |
| 150 | I | 94.7 | Very high | 92.1 | Very high | 16 Ų | 16 | 54.6 Ų | 54.6 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 176.4 | -70.3 | -69.9 | 0 | 0 | 0 | 111.2 | F146 I147 S154 N164 L168 | F146-I150 HydrophobicContact CD2-CG1 4.18Å; F146-I150 HydrophobicContact CE1-CG1 4.2Å; F146-I150 HydrophobicContact CE2-CD1 3.98Å; F146-I150 HydrophobicContact CE2-CG1 3.68Å; F146-I150 HydrophobicContact CZ-CD1 4.13Å; F146-I150 HydrophobicContact CZ-CG1 3.69Å; F146-I150 WeakPolarHBondContact O-CG1 3.49Å; F146-I150 PolarHBondContact O-N 2.91Å; I147-I150 PolarHBondContact O-N 2.74Å; I150-S154 WeakPolarHBondContact O-CB 3.3Å; I150-S154 PolarHBondContact O-N 3.11Å; I150-S154 VanDerWaalsContact O-N 3.09Å; I150-S154 PolarHBondContact O-OG 3.2Å; I150-N164 HydrophobicContact CG2-CB 3.92Å; I150-N164 PolarHBondContact O-ND2 3.28Å; I150-L168 HydrophobicContact CG2-CD1 4.06Å; I150-L168 HydrophobicContact CG2-CD2 4.34Å; I150-L168 HydrophobicContact CG2-CG 4.14Å |
| 151 | V | 94.4 | Very high | 92.6 | Very high | 21 Ų | 21 | 54.1 Ų | 54.1 | 13% | 0.127 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 179 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | I147 Q148 A153 S154 H155 V202 L205 | I147-V151 HydrophobicContact CG2-CG2 4.42Å; I147-V151 WeakPolarHBondContact O-CB 3.49Å; I147-V151 VanDerWaalsContact O-CG2 3.27Å; I147-V151 WeakPolarHBondContact O-CG2 3.48Å; I147-V151 PolarHBondContact O-N 3.41Å; Q148-V151 PolarHBondContact O-N 2.95Å; V151-A153 PolarHBondContact O-N 3.42Å; V151-S154 WeakPolarHBondContact O-CB 3.47Å; V151-S154 PolarHBondContact O-N 2.81Å; V151-H155 PolarHBondContact O-CD2 3.02Å; V151-H155 VanDerWaalsContact O-CD2 3.31Å; V151-V202 HydrophobicContact CG2-CG2 4.4Å; V151-L205 HydrophobicContact CB-CD2 4.49Å; V151-L205 HydrophobicContact CG1-CB 4.44Å; V151-L205 HydrophobicContact CG2-CD2 4.15Å |
| 152 | G | 93.8 | Very high | 93.2 | Very high | 46 Ų | 46 | 48 Ų | 48 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q148 D149 S154 H155 | Q148-G152 PolarHBondContact O-N 3.42Å; D149-G152 PolarHBondContact O-N 3.32Å; G152-S154 VanDerWaalsContact C-N 3.25Å; G152-S154 PolarHBondContact O-N 3.21Å; G152-H155 PolarHBondContact O-N 3.31Å |
| 153 | A | 93.5 | Very high | 93.5 | Very high | 32 Ų | 32 | 43.4 Ų | 43.4 | 26% | 0.264 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.3 | -32.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D149 V151 H155 S156 L160 | D149-A153 WeakPolarHBondContact O-CB 3.24Å; D149-A153 PolarHBondContact O-N 2.93Å; V151-A153 PolarHBondContact O-N 3.42Å; A153-H155 PolarHBondContact O-N 2.9Å; A153-S156 WeakPolarHBondContact O-CB 3.45Å; A153-S156 PolarHBondContact O-N 2.83Å; A153-S156 PolarHBondContact O-OG 3.49Å; A153-L160 HydrophobicContact CB-CD2 4.08Å |
| 154 | S | 94.7 | Very high | 93.8 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -25.2 | 179.9 | -62 | 0 | 0 | 0 | 0 | 113.2 | I150 V151 G152 S156 C161 N164 | I150-S154 WeakPolarHBondContact O-CB 3.3Å; I150-S154 PolarHBondContact O-N 3.11Å; I150-S154 VanDerWaalsContact O-N 3.09Å; I150-S154 PolarHBondContact O-OG 3.2Å; V151-S154 WeakPolarHBondContact O-CB 3.47Å; V151-S154 PolarHBondContact O-N 2.81Å; G152-S154 VanDerWaalsContact C-N 3.25Å; G152-S154 PolarHBondContact O-N 3.21Å; S154-S156 VanDerWaalsContact C-N 3.3Å; S154-S156 PolarHBondContact O-N 2.92Å; S154-C161 WeakPolarHBondContact O-CB 3.32Å; S154-N164 WeakPolarHBondContact OG-CB 3.36Å; S154-N164 PolarHBondContact OG-ND2 2.83Å |
| 155 | H | 92.4 | Very high | 94 | Very high | 111 Ų | 111 | 38.9 Ų | 38.9 | 51% | 0.514 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10 | 175.1 | -70.3 | -68.7 | 0 | 0 | 0 | 114.3 | V151 G152 A153 F208 | V151-H155 PolarHBondContact O-CD2 3.02Å; V151-H155 VanDerWaalsContact O-CD2 3.31Å; G152-H155 PolarHBondContact O-N 3.31Å; A153-H155 PolarHBondContact O-N 2.9Å; H155-F208 AromaticContact CE1-CD1 3.9Å; H155-F208 AromaticContact ND1-CE1 3.88Å |
| 156 | S | 91.6 | Very high | 94.1 | Very high | 89 Ų | 89 | 37.9 Ų | 37.9 | 62% | 0.622 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -33.3 | -175.1 | 69.6 | 0 | 0 | 0 | 0 | 114 | A153 S154 | A153-S156 WeakPolarHBondContact O-CB 3.45Å; A153-S156 PolarHBondContact O-N 2.83Å; A153-S156 PolarHBondContact O-OG 3.49Å; S154-S156 VanDerWaalsContact C-N 3.3Å; S154-S156 PolarHBondContact O-N 2.92Å |
| 157 | N | 88.9 | Confident | 94.2 | Very high | 52 Ų | 52 | 37.7 Ų | 37.7 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | trans | -158.5 | 127.8 | -172.1 | 177.4 | -13.5 | 0 | 0 | 0 | 110.3 | S112 S159 L160 C161 | S112-N157 VanDerWaalsContact CA-ND2 3.34Å; S112-N157 WeakPolarHBondContact CA-ND2 3.36Å; S112-N157 PolarHBondContact O-ND2 3.48Å; N157-S159 VanDerWaalsContact C-N 3.32Å; N157-S159 PolarHBondContact O-N 3.03Å; N157-S159 WeakPolarHBondContact OD1-CB 3.27Å; N157-S159 PolarHBondContact OD1-N 3.45Å; N157-L160 HydrophobicContact CB-CB 3.96Å; N157-L160 PolarHBondContact O-N 3.49Å; N157-C161 WeakPolarHBondContact O-CB 3.28Å; N157-C161 PolarHBondContact O-N 3.38Å | ||
| 158 | E | 92.3 | Very high | 94.3 | Very high | 86 Ų | 86 | 37.6 Ų | 37.6 | 40% | 0.402 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.1 | -35.6 | 179.6 | -70.2 | -162.7 | 152.5 | 0 | 0 | 113.6 | C161 R162 S213 N215 L218 | E158-C161 WeakPolarHBondContact O-CB 3.49Å; E158-C161 PolarHBondContact O-N 2.81Å; E158-R162 PolarHBondContact O-N 3.35Å; E158-S213 PolarHBondContact OE1-OG 3.21Å; E158-N215 VanDerWaalsContact OE2-CB 3.27Å; E158-N215 WeakPolarHBondContact OE2-CB 3.49Å; E158-N215 PolarHBondContact OE2-ND2 3.03Å; E158-L218 HydrophobicContact CB-CD2 4.19Å; E158-L218 HydrophobicContact CG-CD2 4.24Å |
| 159 | S | 92.6 | Very high | 94.3 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.6 | -39.9 | 179 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | S111 S117 N157 R162 N163 | S111-S159 CarbonylContact O-C 3.2Å; S111-S159 WeakPolarHBondContact O-CB 3.41Å; S111-S159 PolarHBondContact O-OG 2.71Å; S117-S159 PolarHBondContact OG-OG 3.06Å; N157-S159 VanDerWaalsContact C-N 3.32Å; N157-S159 PolarHBondContact O-N 3.03Å; N157-S159 WeakPolarHBondContact OD1-CB 3.27Å; N157-S159 PolarHBondContact OD1-N 3.45Å; S159-R162 PolarHBondContact O-N 3.37Å; S159-N163 PolarHBondContact O-N 3.04Å |
| 160 | L | 94.2 | Very high | 94.3 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.3 | -44.1 | 172.8 | 179.2 | 60 | 0 | 0 | 0 | 110.7 | I108 S111 A153 N157 R162 N163 N164 | I108-L160 HydrophobicContact CG1-CD1 4.45Å; S111-L160 PolarHBondContact O-N 3.31Å; S111-L160 WeakPolarHBondContact OG-CD1 3.33Å; A153-L160 HydrophobicContact CB-CD2 4.08Å; N157-L160 HydrophobicContact CB-CB 3.96Å; N157-L160 PolarHBondContact O-N 3.49Å; L160-R162 VanDerWaalsContact C-N 3.27Å; L160-R162 PolarHBondContact O-N 2.88Å; L160-N163 PolarHBondContact O-N 3.47Å; L160-N163 VanDerWaalsContact O-N 3.11Å; L160-N164 PolarHBondContact O-N 3.13Å |
| 161 | C | 95.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.027 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55 | -43 | 174.3 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | S154 N157 E158 N163 N164 M165 I209 L218 | S154-C161 WeakPolarHBondContact O-CB 3.32Å; N157-C161 WeakPolarHBondContact O-CB 3.28Å; N157-C161 PolarHBondContact O-N 3.38Å; E158-C161 WeakPolarHBondContact O-CB 3.49Å; E158-C161 PolarHBondContact O-N 2.81Å; C161-N163 VanDerWaalsContact C-N 3.33Å; C161-N163 PolarHBondContact O-N 3.39Å; C161-N164 WeakPolarHBondContact O-CB 3.31Å; C161-N164 PolarHBondContact O-N 2.88Å; C161-M165 WeakPolarHBondContact O-CG 3.36Å; C161-M165 PolarHBondContact O-N 3.08Å; C161-I209 VanDerWaalsContact SG-CD1 3.53Å; C161-L218 HydrophobicContact CB-CD1 4.07Å; C161-L218 HydrophobicContact CB-CD2 4.39Å |
| 162 | R | 94.9 | Very high | 94.2 | Very high | 48 Ų | 48 | 29 Ų | 29 | 18% | 0.181 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | 177.4 | -174.7 | -172 | 69.7 | -159.2 | -3.5 | 111.1 | S117 E158 S159 L160 M165 V166 L218 A221 | S117-R162 VanDerWaalsContact CB-NH2 3.31Å; S117-R162 PolarHBondContact OG-NH2 2.72Å; E158-R162 PolarHBondContact O-N 3.35Å; S159-R162 PolarHBondContact O-N 3.37Å; L160-R162 VanDerWaalsContact C-N 3.27Å; L160-R162 PolarHBondContact O-N 2.88Å; R162-M165 PolarHBondContact O-N 3.49Å; R162-V166 PolarHBondContact O-N 3.44Å; R162-L218 VanDerWaalsContact CA-CD1 3.49Å; R162-L218 HydrophobicContact CB-CD1 3.89Å; R162-A221 HydrophobicContact CG-CB 3.97Å |
| 163 | N | 95.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.032 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.1 | -36.6 | 177.5 | -166.5 | 70.2 | 0 | 0 | 0 | 112.4 | V107 L124 N128 S159 L160 C161 M165 V166 I167 | V107-N163 WeakPolarHBondContact CG1-ND2 3.44Å; L124-N163 WeakPolarHBondContact CD2-OD1 3.41Å; L124-N163 WeakPolarHBondContact CG-OD1 3.41Å; N128-N163 PolarHBondContact ND2-OD1 3.31Å; N128-N163 PolarHBondContact OD1-ND2 2.91Å; S159-N163 PolarHBondContact O-N 3.04Å; L160-N163 PolarHBondContact O-N 3.47Å; L160-N163 VanDerWaalsContact O-N 3.11Å; C161-N163 VanDerWaalsContact C-N 3.33Å; C161-N163 PolarHBondContact O-N 3.39Å; N163-M165 VanDerWaalsContact C-N 3.32Å; N163-M165 PolarHBondContact O-N 2.88Å; N163-V166 WeakPolarHBondContact O-CB 3.47Å; N163-V166 PolarHBondContact O-N 2.76Å; N163-V166 VanDerWaalsContact O-N 3.11Å; N163-I167 WeakPolarHBondContact ND2-CD1 3.44Å; N163-I167 WeakPolarHBondContact O-CG1 3.44Å; N163-I167 PolarHBondContact O-N 2.83Å |
| 164 | N | 96.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.3 | -37.9 | 175.5 | -74 | -10.4 | 0 | 0 | 0 | 112.2 | I150 S154 L160 C161 V166 I167 L168 | I150-N164 HydrophobicContact CG2-CB 3.92Å; I150-N164 PolarHBondContact O-ND2 3.28Å; S154-N164 WeakPolarHBondContact OG-CB 3.36Å; S154-N164 PolarHBondContact OG-ND2 2.83Å; L160-N164 PolarHBondContact O-N 3.13Å; C161-N164 WeakPolarHBondContact O-CB 3.31Å; C161-N164 PolarHBondContact O-N 2.88Å; N164-V166 VanDerWaalsContact C-N 3.34Å; N164-I167 PolarHBondContact O-N 3.46Å; N164-L168 WeakPolarHBondContact O-CG 3.25Å; N164-L168 PolarHBondContact O-N 3.07Å |
| 165 | M | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 170.8 | -68.6 | -59.9 | 104.9 | 0 | 0 | 111.3 | C161 R162 N163 I167 L168 K169 L205 I209 L218 A221 T222 T225 | C161-M165 WeakPolarHBondContact O-CG 3.36Å; C161-M165 PolarHBondContact O-N 3.08Å; R162-M165 PolarHBondContact O-N 3.49Å; N163-M165 VanDerWaalsContact C-N 3.32Å; N163-M165 PolarHBondContact O-N 2.88Å; M165-I167 PolarHBondContact O-N 3.45Å; M165-L168 HydrophobicContact CE-CD1 3.72Å; M165-L168 PolarHBondContact O-N 3.33Å; M165-K169 WeakPolarHBondContact O-CB 3.34Å; M165-K169 PolarHBondContact O-N 3.46Å; M165-L205 HydrophobicContact CE-CD2 3.37Å; M165-L205 HydrophobicContact CE-CG 3.86Å; M165-I209 HydrophobicContact CE-CD1 4Å; M165-I209 HydrophobicContact CG-CD1 4.22Å; M165-I209 HydrophobicContact SD-CD1 3.92Å; M165-L218 HydrophobicContact CG-CD1 4.43Å; M165-A221 HydrophobicContact CB-CB 4.35Å; M165-T222 HydrophobicContact SD-CG2 4.19Å; M165-T225 PolarHBondContact O-OG1 3.31Å |
| 166 | V | 95.9 | Very high | 93.1 | Very high | 36 Ų | 36 | 23.3 Ų | 23.3 | 22% | 0.218 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | R162 N163 N164 K169 L170 | R162-V166 PolarHBondContact O-N 3.44Å; N163-V166 WeakPolarHBondContact O-CB 3.47Å; N163-V166 PolarHBondContact O-N 2.76Å; N163-V166 VanDerWaalsContact O-N 3.11Å; N164-V166 VanDerWaalsContact C-N 3.34Å; V166-K169 WeakPolarHBondContact O-CB 3.44Å; V166-K169 PolarHBondContact O-N 2.83Å; V166-L170 HydrophobicContact CG1-CD1 4.15Å; V166-L170 HydrophobicContact CG1-CG 4.49Å; V166-L170 VanDerWaalsContact O-CG 3.31Å; V166-L170 WeakPolarHBondContact O-CG 3.35Å; V166-L170 PolarHBondContact O-N 2.98Å |
| 167 | I | 96.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 176.8 | -68.3 | 163.2 | 0 | 0 | 0 | 111 | V107 N128 L131 V132 F146 N163 N164 M165 L170 L171 | V107-I167 HydrophobicContact CG1-CD1 4.12Å; N128-I167 HydrophobicContact CB-CG1 3.99Å; L131-I167 HydrophobicContact CD2-CD1 3.8Å; L131-I167 HydrophobicContact CD2-CG1 4.43Å; L131-I167 HydrophobicContact CD2-CG2 4.44Å; V132-I167 HydrophobicContact CG2-CG2 4.24Å; F146-I167 HydrophobicContact CZ-CG2 4.21Å; N163-I167 WeakPolarHBondContact ND2-CD1 3.44Å; N163-I167 WeakPolarHBondContact O-CG1 3.44Å; N163-I167 PolarHBondContact O-N 2.83Å; N164-I167 PolarHBondContact O-N 3.46Å; M165-I167 PolarHBondContact O-N 3.45Å; I167-L170 PolarHBondContact O-N 3.41Å; I167-L171 WeakPolarHBondContact O-CB 3.33Å; I167-L171 PolarHBondContact O-N 3.22Å |
| 168 | L | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66 | -38 | 178.9 | -73.5 | 170.1 | 0 | 0 | 0 | 112.4 | I147 I150 N164 M165 L171 S172 F195 V202 T225 F229 | I147-L168 HydrophobicContact CD1-CD2 4.12Å; I150-L168 HydrophobicContact CG2-CD1 4.06Å; I150-L168 HydrophobicContact CG2-CD2 4.34Å; I150-L168 HydrophobicContact CG2-CG 4.14Å; N164-L168 WeakPolarHBondContact O-CG 3.25Å; N164-L168 PolarHBondContact O-N 3.07Å; M165-L168 HydrophobicContact CE-CD1 3.72Å; M165-L168 PolarHBondContact O-N 3.33Å; L168-L171 PolarHBondContact O-N 3.43Å; L168-S172 WeakPolarHBondContact O-CB 3.49Å; L168-S172 PolarHBondContact O-N 3.34Å; L168-F195 HydrophobicContact CD2-CZ 4.3Å; L168-V202 HydrophobicContact CD1-CG1 3.93Å; L168-V202 HydrophobicContact CD2-CG2 4.27Å; L168-T225 HydrophobicContact CB-CG2 4.17Å; L168-F229 HydrophobicContact CB-CZ 4.05Å |
| 169 | K | 95.2 | Very high | 91 | Very high | 42 Ų | 42 | 21.3 Ų | 21.3 | 18% | 0.183 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.8 | -52.4 | 171.6 | 175.1 | -178.2 | 165.1 | -178.4 | 0 | 111.2 | M165 V166 L171 S172 E173 E224 T225 R228 | M165-K169 WeakPolarHBondContact O-CB 3.34Å; M165-K169 PolarHBondContact O-N 3.46Å; V166-K169 WeakPolarHBondContact O-CB 3.44Å; V166-K169 PolarHBondContact O-N 2.83Å; K169-L171 VanDerWaalsContact C-N 3.32Å; K169-L171 PolarHBondContact O-N 2.9Å; K169-S172 VanDerWaalsContact O-CB 3.31Å; K169-S172 WeakPolarHBondContact O-CB 3.49Å; K169-S172 PolarHBondContact O-N 2.84Å; K169-S172 VanDerWaalsContact O-N 3.14Å; K169-E173 WeakPolarHBondContact CE-OE1 3.18Å; K169-E173 WeakPolarHBondContact O-CG 3.24Å; K169-E173 PolarHBondContact O-N 3.31Å; K169-E224 HydrophobicContact CD-CB 4.41Å; K169-E224 IonicContact NZ-OE2 2.62Å; K169-E224 PolarHBondContact NZ-OE2 3.28Å; K169-T225 HydrophobicContact CB-CG2 4.06Å; K169-R228 HydrophobicContact CG-CG 3.89Å |
| 170 | L | 94.4 | Very high | 89.8 | Confident | 27 Ų | 27 | 23.7 Ų | 23.7 | 14% | 0.141 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 179.5 | -68.7 | 173.1 | 0 | 0 | 0 | 112 | N128 M129 V132 V166 I167 S172 E173 E174 | N128-L170 HydrophobicContact CB-CD1 3.86Å; M129-L170 HydrophobicContact CG-CD1 4.31Å; M129-L170 HydrophobicContact SD-CB 4.41Å; M129-L170 HydrophobicContact SD-CD1 3.7Å; M129-L170 HydrophobicContact SD-CD2 3.59Å; M129-L170 VanDerWaalsContact SD-CD2 3.59Å; M129-L170 HydrophobicContact SD-CG 4.08Å; V132-L170 HydrophobicContact CG2-CB 3.95Å; V166-L170 HydrophobicContact CG1-CD1 4.15Å; V166-L170 HydrophobicContact CG1-CG 4.49Å; V166-L170 VanDerWaalsContact O-CG 3.31Å; V166-L170 WeakPolarHBondContact O-CG 3.35Å; V166-L170 PolarHBondContact O-N 2.98Å; I167-L170 PolarHBondContact O-N 3.41Å; L170-S172 VanDerWaalsContact C-N 3.33Å; L170-S172 PolarHBondContact O-N 2.9Å; L170-E173 PolarHBondContact O-N 2.89Å; L170-E174 WeakPolarHBondContact O-CB 3.14Å; L170-E174 VanDerWaalsContact O-CG 3.25Å; L170-E174 WeakPolarHBondContact O-CG 3.43Å; L170-E174 PolarHBondContact O-N 3.35Å |
| 171 | L | 94 | Very high | 88.3 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 174.8 | -179.6 | 63.2 | 0 | 0 | 0 | 111.6 | V132 V135 F146 I167 L168 K169 E174 V175 F195 | V132-L171 HydrophobicContact CG1-CB 4.48Å; V132-L171 HydrophobicContact CG1-CD1 4.21Å; V132-L171 HydrophobicContact CG2-CB 4.46Å; V135-L171 HydrophobicContact CG1-CD1 3.85Å; V135-L171 HydrophobicContact CG1-CD2 4.23Å; F146-L171 HydrophobicContact CE1-CD2 3.89Å; I167-L171 WeakPolarHBondContact O-CB 3.33Å; I167-L171 PolarHBondContact O-N 3.22Å; L168-L171 PolarHBondContact O-N 3.43Å; K169-L171 VanDerWaalsContact C-N 3.32Å; K169-L171 PolarHBondContact O-N 2.9Å; L171-E174 PolarHBondContact O-N 3.26Å; L171-V175 HydrophobicContact CD1-CG2 3.88Å; L171-V175 HydrophobicContact CG-CG2 4.4Å; L171-V175 WeakPolarHBondContact O-CB 3.25Å; L171-V175 VanDerWaalsContact O-CG2 3.25Å; L171-V175 WeakPolarHBondContact O-CG2 3.22Å; L171-V175 PolarHBondContact O-N 3.44Å; L171-F195 HydrophobicContact CD2-CE1 4.12Å; L171-F195 HydrophobicContact CD2-CZ 4.26Å; L171-F195 HydrophobicContact CG-CE1 4.1Å |
| 172 | S | 92.7 | Very high | 87 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60 | -49.9 | 174.4 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | L168 K169 L170 E174 V175 F176 R228 W232 | L168-S172 WeakPolarHBondContact O-CB 3.49Å; L168-S172 PolarHBondContact O-N 3.34Å; K169-S172 VanDerWaalsContact O-CB 3.31Å; K169-S172 WeakPolarHBondContact O-CB 3.49Å; K169-S172 PolarHBondContact O-N 2.84Å; K169-S172 VanDerWaalsContact O-N 3.14Å; L170-S172 VanDerWaalsContact C-N 3.33Å; L170-S172 PolarHBondContact O-N 2.9Å; S172-E174 VanDerWaalsContact C-N 3.34Å; S172-E174 PolarHBondContact O-N 3.02Å; S172-V175 PolarHBondContact O-N 3.39Å; S172-F176 WeakPolarHBondContact O-CB 3.47Å; S172-F176 PolarHBondContact O-N 3.44Å; S172-R228 PolarHBondContact OG-O 3.42Å; S172-W232 PolarHBondContact OG-NE1 3.44Å |
| 173 | E | 91 | Very high | 86 | Confident | 27 Ų | 27 | 25.6 Ų | 25.6 | 13% | 0.126 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -58.9 | -45.4 | 179.3 | -70.7 | 174.6 | 164.8 | 0 | 0 | 110.8 | K169 L170 V175 D177 F178 R228 | K169-E173 WeakPolarHBondContact CE-OE1 3.18Å; K169-E173 WeakPolarHBondContact O-CG 3.24Å; K169-E173 PolarHBondContact O-N 3.31Å; L170-E173 PolarHBondContact O-N 2.89Å; E173-V175 PolarHBondContact O-N 2.96Å; E173-D177 CarbonylContact O-C 3.18Å; E173-D177 WeakPolarHBondContact O-CA 3.01Å; E173-D177 WeakPolarHBondContact O-CB 3.45Å; E173-D177 PolarHBondContact O-N 2.88Å; E173-F178 HydrophobicContact CB-CD2 4.06Å; E173-F178 HydrophobicContact CB-CE2 3.82Å; E173-F178 WeakPolarHBondContact O-CD2 3.15Å; E173-F178 PolarHBondContact O-N 3.49Å; E173-R228 HydrophobicContact CG-CG 4.05Å; E173-R228 IonicContact OE1-CZ 2.66Å; E173-R228 IonicContact OE1-NE 3.6Å; E173-R228 PolarHBondContact OE1-NE 3.41Å; E173-R228 IonicContact OE1-NH2 2.76Å |
| 174 | E | 87.7 | Confident | 84.9 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 7% | 0.065 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -69.3 | -29.9 | -180 | -70.2 | -80.3 | 130 | 0 | 0 | 114.6 | V132 Q133 K136 L170 L171 S172 M183 | V132-E174 HydrophobicContact CG1-CB 4.15Å; V132-E174 HydrophobicContact CG1-CG 3.81Å; Q133-E174 PolarHBondContact NE2-OE2 3.03Å; K136-E174 HydrophobicContact CD-CB 4.07Å; K136-E174 HydrophobicContact CD-CG 4.47Å; K136-E174 WeakPolarHBondContact CD-OE2 3.46Å; K136-E174 IonicContact NZ-OE2 2.91Å; K136-E174 PolarHBondContact NZ-OE2 3.31Å; L170-E174 WeakPolarHBondContact O-CB 3.14Å; L170-E174 VanDerWaalsContact O-CG 3.25Å; L170-E174 WeakPolarHBondContact O-CG 3.43Å; L170-E174 PolarHBondContact O-N 3.35Å; L171-E174 PolarHBondContact O-N 3.26Å; S172-E174 VanDerWaalsContact C-N 3.34Å; S172-E174 PolarHBondContact O-N 3.02Å; E174-M183 WeakPolarHBondContact O-CE 3.37Å |
| 175 | V | 87.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -90.1 | -36 | -178 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | L171 S172 E173 S179 L191 K192 | L171-V175 HydrophobicContact CD1-CG2 3.88Å; L171-V175 HydrophobicContact CG-CG2 4.4Å; L171-V175 WeakPolarHBondContact O-CB 3.25Å; L171-V175 VanDerWaalsContact O-CG2 3.25Å; L171-V175 WeakPolarHBondContact O-CG2 3.22Å; L171-V175 PolarHBondContact O-N 3.44Å; S172-V175 PolarHBondContact O-N 3.39Å; E173-V175 PolarHBondContact O-N 2.96Å; V175-S179 VanDerWaalsContact O-CB 3.26Å; V175-S179 WeakPolarHBondContact O-CB 3.13Å; V175-S179 PolarHBondContact O-OG 3.37Å; V175-L191 HydrophobicContact CG1-CB 3.92Å; V175-L191 HydrophobicContact CG2-CB 4.27Å; V175-L191 HydrophobicContact CG2-CD1 4.42Å; V175-K192 HydrophobicContact CG1-CB 4.46Å; V175-K192 HydrophobicContact CG1-CG 3.71Å; V175-K192 WeakPolarHBondContact O-CE 3.33Å |
| 176 | F | 85.7 | Confident | 82.5 | Confident | 36 Ų | 36 | 34.2 Ų | 34.2 | 16% | 0.158 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -104.3 | -44.6 | -173.9 | -68.9 | -87 | 0 | 0 | 0 | 113.1 | S172 K192 F195 W232 | S172-F176 WeakPolarHBondContact O-CB 3.47Å; S172-F176 PolarHBondContact O-N 3.44Å; F176-K192 HydrophobicContact CD1-CD 4.17Å; F176-K192 HydrophobicContact CD1-CG 3.92Å; F176-K192 HydrophobicContact CE1-CB 3.91Å; F176-K192 HydrophobicContact CE1-CD 4.2Å; F176-K192 HydrophobicContact CE1-CG 3.65Å; F176-K192 HydrophobicContact CZ-CB 4.12Å; F176-K192 HydrophobicContact CZ-CG 4.06Å; F176-F195 HydrophobicContact CE2-CB 4.29Å; F176-F195 AromaticContact CE2-CD1 3.76Å; F176-F195 HydrophobicContact CE2-CD1 3.76Å; F176-F195 HydrophobicContact CE2-CG 4.42Å; F176-F195 HydrophobicContact CZ-CB 4.45Å; F176-W232 HydrophobicContact CD1-CB 3.64Å; F176-W232 AromaticContact CD1-CD1 3.85Å; F176-W232 HydrophobicContact CD1-CD2 4.07Å; F176-W232 AromaticContact CD1-CG 3.57Å; F176-W232 HydrophobicContact CD1-CG 3.57Å; F176-W232 AromaticContact CD2-CD1 3.71Å; F176-W232 AromaticContact CD2-CD2 3.92Å; F176-W232 HydrophobicContact CD2-CD2 3.92Å; F176-W232 AromaticContact CD2-CE2 3.63Å; F176-W232 AromaticContact CD2-CG 3.97Å; F176-W232 HydrophobicContact CD2-CG 3.97Å; F176-W232 HydrophobicContact CD2-CZ2 4.16Å; F176-W232 AromaticContact CD2-NE1 3.48Å; F176-W232 HydrophobicContact CE1-CB 3.69Å; F176-W232 AromaticContact CE1-CD2 3.67Å; F176-W232 HydrophobicContact CE1-CD2 3.67Å; F176-W232 AromaticContact CE1-CE3 3.87Å; F176-W232 HydrophobicContact CE1-CE3 3.87Å; F176-W232 AromaticContact CE1-CG 3.6Å; F176-W232 HydrophobicContact CE1-CG 3.6Å; F176-W232 AromaticContact CE2-CD2 3.49Å; F176-W232 HydrophobicContact CE2-CD2 3.49Å; F176-W232 VanDerWaalsContact CE2-CD2 3.49Å; F176-W232 AromaticContact CE2-CE2 3.35Å; F176-W232 AromaticContact CE2-CE3 3.85Å; F176-W232 HydrophobicContact CE2-CE3 3.85Å; F176-W232 AromaticContact CE2-CG 3.98Å; F176-W232 HydrophobicContact CE2-CG 3.98Å; F176-W232 AromaticContact CE2-CH2 3.94Å; F176-W232 HydrophobicContact CE2-CH2 3.94Å; F176-W232 AromaticContact CE2-CZ2 3.59Å; F176-W232 HydrophobicContact CE2-CZ2 3.59Å; F176-W232 HydrophobicContact CE2-CZ3 4.07Å; F176-W232 AromaticContact CE2-NE1 3.74Å; F176-W232 HydrophobicContact CG-CB 4.27Å; F176-W232 AromaticContact CG-CD1 3.57Å; F176-W232 HydrophobicContact CG-CD2 4.19Å; F176-W232 AromaticContact CG-CG 3.77Å; F176-W232 HydrophobicContact CG-CG 3.77Å; F176-W232 AromaticContact CG-NE1 3.86Å; F176-W232 HydrophobicContact CZ-CB 4.35Å; F176-W232 AromaticContact CZ-CD2 3.36Å; F176-W232 HydrophobicContact CZ-CD2 3.36Å; F176-W232 AromaticContact CZ-CE2 3.77Å; F176-W232 AromaticContact CZ-CE3 3.39Å; F176-W232 HydrophobicContact CZ-CE3 3.39Å; F176-W232 AromaticContact CZ-CG 3.82Å; F176-W232 HydrophobicContact CZ-CG 3.82Å; F176-W232 HydrophobicContact CZ-CH2 4.16Å; F176-W232 HydrophobicContact CZ-CZ2 4.16Å; F176-W232 AromaticContact CZ-CZ3 3.81Å; F176-W232 HydrophobicContact CZ-CZ3 3.81Å |
| 177 | D | 78.6 | Confident | 81.6 | Confident | 68 Ų | 68 | 34.5 Ų | 34.5 | 36% | 0.364 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -90.1 | -40.9 | -172.3 | -55.8 | -26.8 | 0 | 0 | 0 | 112 | E173 | E173-D177 CarbonylContact O-C 3.18Å; E173-D177 WeakPolarHBondContact O-CA 3.01Å; E173-D177 WeakPolarHBondContact O-CB 3.45Å; E173-D177 PolarHBondContact O-N 2.88Å |
| 178 | F | 76.6 | Confident | 80.8 | Confident | 106 Ų | 106 | 34.8 Ų | 34.8 | 47% | 0.465 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -109.4 | 17.3 | -173.5 | -52.2 | -54.2 | 0 | 0 | 0 | 114.5 | E173 | E173-F178 HydrophobicContact CB-CD2 4.06Å; E173-F178 HydrophobicContact CB-CE2 3.82Å; E173-F178 WeakPolarHBondContact O-CD2 3.15Å; E173-F178 PolarHBondContact O-N 3.49Å |
| 179 | S | 73.8 | Confident | 80 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70 | -30.8 | -179.6 | 55.7 | 0 | 0 | 0 | 0 | 114 | V175 G181 Q182 M183 K192 | V175-S179 VanDerWaalsContact O-CB 3.26Å; V175-S179 WeakPolarHBondContact O-CB 3.13Å; V175-S179 PolarHBondContact O-OG 3.37Å; S179-G181 PolarHBondContact O-N 3.27Å; S179-Q182 PolarHBondContact O-N 2.95Å; S179-M183 WeakPolarHBondContact O-CG 3.38Å; S179-K192 PolarHBondContact OG-NZ 3.45Å |
| 180 | A | 65.8 | Low | 79.4 | Confident | 59 Ų | 59 | 40.5 Ų | 40.5 | 49% | 0.488 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.8 | 127.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q182 | A180-Q182 VanDerWaalsContact C-N 3.27Å; A180-Q182 PolarHBondContact O-N 2.94Å |
| 181 | G | 64.4 | Low | 79 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | 83.7 | -42.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S179 M183 V1057 V1067 | S179-G181 PolarHBondContact O-N 3.27Å; G181-M183 PolarHBondContact O-N 3.45Å; G181-V1057 VanDerWaalsContact O-CG2 3.24Å; G181-V1057 WeakPolarHBondContact O-CG2 3.49Å; G181-V1067 WeakPolarHBondContact O-CG2 3.29Å |
| 182 | Q | 68.2 | Low | 78.7 | Confident | 86 Ų | 86 | 42 Ų | 42 | 40% | 0.402 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -78.9 | -15.2 | -173.3 | -62.7 | -168.8 | 2.3 | 0 | 0 | 115.7 | K136 S179 A180 | K136-Q182 VanDerWaalsContact NZ-OE1 3.14Å; S179-Q182 PolarHBondContact O-N 2.95Å; A180-Q182 VanDerWaalsContact C-N 3.27Å; A180-Q182 PolarHBondContact O-N 2.94Å |
| 183 | M | 72.8 | Confident | 78.4 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.049 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -147.7 | 157.7 | 179.5 | 60.5 | -177.1 | 83.7 | 0 | 0 | 110.6 | E174 S179 G181 K187 A188 L191 | E174-M183 WeakPolarHBondContact O-CE 3.37Å; S179-M183 WeakPolarHBondContact O-CG 3.38Å; G181-M183 PolarHBondContact O-N 3.45Å; M183-K187 HydrophobicContact CB-CB 4.49Å; M183-K187 HydrophobicContact CB-CD 4.25Å; M183-A188 HydrophobicContact CG-CB 3.88Å; M183-A188 WeakPolarHBondContact SD-CA 3.5Å; M183-A188 HydrophobicContact SD-CB 3.7Å; M183-L191 HydrophobicContact CE-CD1 4.39Å; M183-L191 HydrophobicContact SD-CD1 4.04Å |
| 184 | T | 72.5 | Confident | 78.4 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | trans | -64.3 | 151.3 | 175.7 | 62.6 | 0 | 0 | 0 | 0 | 110.7 | S186 K187 A188 D1054 V1057 Q1058 | T184-S186 VanDerWaalsContact C-N 3.25Å; T184-S186 PolarHBondContact O-N 3.45Å; T184-K187 PolarHBondContact O-N 2.9Å; T184-K187 WeakPolarHBondContact OG1-CB 3.49Å; T184-A188 PolarHBondContact O-N 3.36Å; T184-D1054 WeakPolarHBondContact CA-OD1 3.49Å; T184-D1054 WeakPolarHBondContact CB-OD1 3.26Å; T184-D1054 HydrophobicContact CG2-CB 4.47Å; T184-V1057 HydrophobicContact CG2-CB 4.35Å; T184-V1057 HydrophobicContact CG2-CG1 4.02Å; T184-Q1058 HydrophobicContact CG2-CG 4.17Å | ||
| 185 | Q | 72.3 | Confident | 78.5 | Confident | 80 Ų | 80 | 48.5 Ų | 48.5 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.9 | -42.3 | -177.8 | -64.1 | -168 | -13.2 | 0 | 0 | 112.4 | K187 A188 N189 E1050 D1054 | Q185-K187 VanDerWaalsContact C-N 3.33Å; Q185-K187 PolarHBondContact O-N 3.2Å; Q185-A188 PolarHBondContact O-N 2.89Å; Q185-N189 WeakPolarHBondContact O-CB 3.4Å; Q185-N189 PolarHBondContact O-N 2.94Å; Q185-N189 PolarHBondContact O-ND2 2.75Å; Q185-E1050 PolarHBondContact NE2-OE2 2.88Å; Q185-D1054 PolarHBondContact N-OD1 2.86Å |
| 186 | S | 71.8 | Confident | 78.6 | Confident | 90 Ų | 90 | 50.8 Ų | 50.8 | 63% | 0.629 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60 | -41.7 | 177.8 | -179 | 0 | 0 | 0 | 0 | 112.3 | T184 H190 | T184-S186 VanDerWaalsContact C-N 3.25Å; T184-S186 PolarHBondContact O-N 3.45Å; S186-H190 WeakPolarHBondContact O-CB 3.27Å; S186-H190 PolarHBondContact O-N 2.88Å |
| 187 | K | 76 | Confident | 78.8 | Confident | 42 Ų | 42 | 54.3 Ų | 54.3 | 18% | 0.183 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.1 | -43.5 | 178.7 | -173.1 | 177.4 | 179.1 | -171.5 | 0 | 111.8 | K136 M183 T184 Q185 N189 H190 L191 | K136-K187 WeakPolarHBondContact O-CE 3.1Å; K136-K187 PolarHBondContact O-NZ 2.99Å; M183-K187 HydrophobicContact CB-CB 4.49Å; M183-K187 HydrophobicContact CB-CD 4.25Å; T184-K187 PolarHBondContact O-N 2.9Å; T184-K187 WeakPolarHBondContact OG1-CB 3.49Å; Q185-K187 VanDerWaalsContact C-N 3.33Å; Q185-K187 PolarHBondContact O-N 3.2Å; K187-N189 PolarHBondContact O-N 2.75Å; K187-H190 PolarHBondContact O-N 3.34Å; K187-L191 HydrophobicContact CG-CD1 4.31Å; K187-L191 WeakPolarHBondContact O-CG 3.45Å; K187-L191 PolarHBondContact O-N 3.31Å |
| 188 | A | 79.1 | Confident | 79.4 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.4 | -49.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M183 T184 Q185 H190 L191 K192 | M183-A188 HydrophobicContact CG-CB 3.88Å; M183-A188 WeakPolarHBondContact SD-CA 3.5Å; M183-A188 HydrophobicContact SD-CB 3.7Å; T184-A188 PolarHBondContact O-N 3.36Å; Q185-A188 PolarHBondContact O-N 2.89Å; A188-H190 VanDerWaalsContact C-N 3.34Å; A188-H190 PolarHBondContact O-N 3.45Å; A188-L191 PolarHBondContact O-N 2.92Å; A188-K192 WeakPolarHBondContact O-CB 3.4Å; A188-K192 VanDerWaalsContact O-CG 3.28Å; A188-K192 WeakPolarHBondContact O-CG 3.31Å; A188-K192 PolarHBondContact O-N 3.46Å |
| 189 | N | 81.1 | Confident | 80.2 | Confident | 86 Ų | 86 | 47.9 Ų | 47.9 | 46% | 0.46 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 179.7 | -73.2 | -23.8 | 0 | 0 | 0 | 112.3 | Q185 K187 Q193 | Q185-N189 WeakPolarHBondContact O-CB 3.4Å; Q185-N189 PolarHBondContact O-N 2.94Å; Q185-N189 PolarHBondContact O-ND2 2.75Å; K187-N189 PolarHBondContact O-N 2.75Å; N189-Q193 WeakPolarHBondContact O-CB 3.36Å; N189-Q193 VanDerWaalsContact O-CG 3.29Å; N189-Q193 WeakPolarHBondContact O-CG 3.44Å; N189-Q193 PolarHBondContact O-N 3.25Å |
| 190 | H | 82.1 | Confident | 81.2 | Confident | 75 Ų | 75 | 55 Ų | 55 | 35% | 0.347 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 176.6 | -176.2 | 54.9 | 0 | 0 | 0 | 112.5 | P140 S186 K187 A188 Q193 Q194 | P140-H190 WeakPolarHBondContact CG-NE2 3.48Å; S186-H190 WeakPolarHBondContact O-CB 3.27Å; S186-H190 PolarHBondContact O-N 2.88Å; K187-H190 PolarHBondContact O-N 3.34Å; A188-H190 VanDerWaalsContact C-N 3.34Å; A188-H190 PolarHBondContact O-N 3.45Å; H190-Q193 PolarHBondContact O-N 2.93Å; H190-Q194 WeakPolarHBondContact O-CB 3.23Å; H190-Q194 PolarHBondContact O-N 3.41Å |
| 191 | L | 86 | Confident | 82.5 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 178.6 | -69.3 | 176.4 | 0 | 0 | 0 | 112 | W139 V175 M183 K187 A188 Q194 F195 | W139-L191 HydrophobicContact CE3-CD2 3.71Å; W139-L191 HydrophobicContact CZ3-CB 4.48Å; W139-L191 HydrophobicContact CZ3-CD2 3.83Å; W139-L191 WeakPolarHBondContact O-CD2 3.24Å; V175-L191 HydrophobicContact CG1-CB 3.92Å; V175-L191 HydrophobicContact CG2-CB 4.27Å; V175-L191 HydrophobicContact CG2-CD1 4.42Å; M183-L191 HydrophobicContact CE-CD1 4.39Å; M183-L191 HydrophobicContact SD-CD1 4.04Å; K187-L191 HydrophobicContact CG-CD1 4.31Å; K187-L191 WeakPolarHBondContact O-CG 3.45Å; K187-L191 PolarHBondContact O-N 3.31Å; A188-L191 PolarHBondContact O-N 2.92Å; L191-Q194 PolarHBondContact O-N 3.22Å; L191-F195 PolarHBondContact O-N 2.82Å |
| 192 | K | 87.2 | Confident | 84 | Confident | 58 Ų | 58 | 53.7 Ų | 53.7 | 25% | 0.252 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 175.9 | -72.2 | 176.5 | -177.6 | -178.9 | 0 | 111.5 | V175 F176 S179 A188 Q194 F195 C196 | V175-K192 HydrophobicContact CG1-CB 4.46Å; V175-K192 HydrophobicContact CG1-CG 3.71Å; V175-K192 WeakPolarHBondContact O-CE 3.33Å; F176-K192 HydrophobicContact CD1-CD 4.17Å; F176-K192 HydrophobicContact CD1-CG 3.92Å; F176-K192 HydrophobicContact CE1-CB 3.91Å; F176-K192 HydrophobicContact CE1-CD 4.2Å; F176-K192 HydrophobicContact CE1-CG 3.65Å; F176-K192 HydrophobicContact CZ-CB 4.12Å; F176-K192 HydrophobicContact CZ-CG 4.06Å; S179-K192 PolarHBondContact OG-NZ 3.45Å; A188-K192 WeakPolarHBondContact O-CB 3.4Å; A188-K192 VanDerWaalsContact O-CG 3.28Å; A188-K192 WeakPolarHBondContact O-CG 3.31Å; A188-K192 PolarHBondContact O-N 3.46Å; K192-Q194 PolarHBondContact O-N 3.41Å; K192-F195 PolarHBondContact O-N 3.02Å; K192-C196 PolarHBondContact O-N 3.1Å; K192-C196 VanDerWaalsContact O-N 3.07Å; K192-C196 PolarHBondContact O-SG 2.72Å |
| 193 | Q | 87.9 | Confident | 85.3 | Confident | 132 Ų | 132 | 49.9 Ų | 49.9 | 62% | 0.617 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.2 | -41.8 | 179.1 | -73.8 | 176.3 | 2.6 | 0 | 0 | 112.3 | N189 H190 C196 T197 | N189-Q193 WeakPolarHBondContact O-CB 3.36Å; N189-Q193 VanDerWaalsContact O-CG 3.29Å; N189-Q193 WeakPolarHBondContact O-CG 3.44Å; N189-Q193 PolarHBondContact O-N 3.25Å; H190-Q193 PolarHBondContact O-N 2.93Å; Q193-C196 PolarHBondContact O-N 3.33Å; Q193-T197 PolarHBondContact O-N 2.98Å; Q193-T197 VanDerWaalsContact O-N 3.08Å; Q193-T197 PolarHBondContact O-OG1 3.28Å |
| 194 | Q | 90.1 | Very high | 86.3 | Confident | 46 Ų | 46 | 54 Ų | 54 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 177 | -173.2 | 73.1 | 12.6 | 0 | 0 | 111.3 | W139 P140 H190 L191 K192 C196 T197 E198 | W139-Q194 HydrophobicContact CH2-CB 4.12Å; W139-Q194 HydrophobicContact CH2-CG 4.08Å; W139-Q194 HydrophobicContact CZ2-CB 4.04Å; W139-Q194 HydrophobicContact CZ2-CG 3.48Å; W139-Q194 VanDerWaalsContact CZ2-CG 3.48Å; P140-Q194 HydrophobicContact CB-CG 3.66Å; P140-Q194 HydrophobicContact CG-CB 4.22Å; P140-Q194 HydrophobicContact CG-CG 3.76Å; H190-Q194 WeakPolarHBondContact O-CB 3.23Å; H190-Q194 PolarHBondContact O-N 3.41Å; L191-Q194 PolarHBondContact O-N 3.22Å; K192-Q194 PolarHBondContact O-N 3.41Å; Q194-C196 VanDerWaalsContact C-N 3.28Å; Q194-C196 PolarHBondContact O-N 2.95Å; Q194-T197 WeakPolarHBondContact O-CB 3.13Å; Q194-T197 PolarHBondContact O-N 2.9Å; Q194-E198 PolarHBondContact NE2-OE1 3.35Å; Q194-E198 PolarHBondContact O-N 3.47Å; Q194-E198 VanDerWaalsContact O-N 3.12Å |
| 195 | F | 90.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -42.7 | -179.7 | -151.4 | 171.2 | 0 | 0 | 0 | 110.8 | W139 I147 L168 L171 F176 L191 K192 T197 E198 F199 V202 F229 W232 | W139-F195 HydrophobicContact CH2-CB 3.66Å; W139-F195 HydrophobicContact CH2-CD2 4.39Å; W139-F195 AromaticContact CH2-CG 3.97Å; W139-F195 HydrophobicContact CH2-CG 3.97Å; W139-F195 HydrophobicContact CZ2-CB 4.43Å; I147-F195 HydrophobicContact CD1-CD2 4.47Å; I147-F195 HydrophobicContact CD1-CE2 4.05Å; L168-F195 HydrophobicContact CD2-CZ 4.3Å; L171-F195 HydrophobicContact CD2-CE1 4.12Å; L171-F195 HydrophobicContact CD2-CZ 4.26Å; L171-F195 HydrophobicContact CG-CE1 4.1Å; F176-F195 HydrophobicContact CE2-CB 4.29Å; F176-F195 AromaticContact CE2-CD1 3.76Å; F176-F195 HydrophobicContact CE2-CD1 3.76Å; F176-F195 HydrophobicContact CE2-CG 4.42Å; F176-F195 HydrophobicContact CZ-CB 4.45Å; L191-F195 PolarHBondContact O-N 2.82Å; K192-F195 PolarHBondContact O-N 3.02Å; F195-T197 VanDerWaalsContact C-N 3.26Å; F195-T197 PolarHBondContact O-N 2.99Å; F195-E198 PolarHBondContact O-N 3.37Å; F195-F199 HydrophobicContact CE2-CD2 4.44Å; F195-F199 WeakPolarHBondContact O-CB 3.44Å; F195-F199 PolarHBondContact O-N 2.88Å; F195-V202 HydrophobicContact CE2-CG2 4.34Å; F195-F229 HydrophobicContact CE1-CE1 4.43Å; F195-F229 HydrophobicContact CZ-CE1 4.08Å; F195-F229 HydrophobicContact CZ-CZ 4.41Å; F195-W232 HydrophobicContact CB-CH2 4.36Å; F195-W232 AromaticContact CD1-CH2 3.89Å; F195-W232 HydrophobicContact CD1-CH2 3.89Å; F195-W232 AromaticContact CD1-CZ2 3.96Å; F195-W232 HydrophobicContact CD1-CZ2 3.96Å; F195-W232 HydrophobicContact CD2-CH2 4.1Å; F195-W232 HydrophobicContact CE1-CH2 4.09Å; F195-W232 AromaticContact CE1-CZ2 3.87Å; F195-W232 HydrophobicContact CE1-CZ2 3.87Å; F195-W232 HydrophobicContact CE2-CH2 4.32Å; F195-W232 AromaticContact CG-CH2 3.86Å; F195-W232 HydrophobicContact CG-CH2 3.86Å; F195-W232 HydrophobicContact CG-CZ2 4.4Å; F195-W232 HydrophobicContact CZ-CH2 4.3Å; F195-W232 HydrophobicContact CZ-CZ2 4.28Å |
| 196 | C | 89.2 | Confident | 88.5 | Confident | 48 Ų | 48 | 49.3 Ų | 49.3 | 32% | 0.324 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59 | -37.8 | 175.7 | -67.5 | 0 | 0 | 0 | 0 | 112.6 | K192 Q193 Q194 | K192-C196 PolarHBondContact O-N 3.1Å; K192-C196 VanDerWaalsContact O-N 3.07Å; K192-C196 PolarHBondContact O-SG 2.72Å; Q193-C196 PolarHBondContact O-N 3.33Å; Q194-C196 VanDerWaalsContact C-N 3.28Å; Q194-C196 PolarHBondContact O-N 2.95Å |
| 197 | T | 89.4 | Confident | 89.5 | Confident | 110 Ų | 110 | 47.9 Ų | 47.9 | 68% | 0.675 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -67.7 | -37.1 | 179.7 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | Q193 Q194 F195 | Q193-T197 PolarHBondContact O-N 2.98Å; Q193-T197 VanDerWaalsContact O-N 3.08Å; Q193-T197 PolarHBondContact O-OG1 3.28Å; Q194-T197 WeakPolarHBondContact O-CB 3.13Å; Q194-T197 PolarHBondContact O-N 2.9Å; F195-T197 VanDerWaalsContact C-N 3.26Å; F195-T197 PolarHBondContact O-N 2.99Å |
| 198 | E | 91.7 | Very high | 90.4 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -93.1 | -5.5 | -178.2 | -66.4 | 178.3 | 175.7 | 0 | 0 | 113.5 | W139 I147 Q194 F195 R200 S201 | W139-E198 PolarHBondContact NE1-OE2 2.93Å; I147-E198 HydrophobicContact CB-CB 4.36Å; I147-E198 HydrophobicContact CG1-CB 4.25Å; I147-E198 WeakPolarHBondContact CG1-OE2 3.49Å; I147-E198 HydrophobicContact CG2-CB 4.23Å; Q194-E198 PolarHBondContact NE2-OE1 3.35Å; Q194-E198 PolarHBondContact O-N 3.47Å; Q194-E198 VanDerWaalsContact O-N 3.12Å; F195-E198 PolarHBondContact O-N 3.37Å; E198-R200 PolarHBondContact O-N 3.25Å; E198-R200 VanDerWaalsContact O-N 3.08Å; E198-S201 PolarHBondContact O-N 3.21Å; E198-S201 PolarHBondContact O-OG 3.06Å; E198-S201 VanDerWaalsContact O-OG 3.05Å |
| 199 | F | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -26.1 | -170.3 | -171.7 | -108.4 | 0 | 0 | 0 | 114.6 | F195 S201 V202 F203 F229 W232 I233 Y237 | F195-F199 HydrophobicContact CE2-CD2 4.44Å; F195-F199 WeakPolarHBondContact O-CB 3.44Å; F195-F199 PolarHBondContact O-N 2.88Å; F199-S201 VanDerWaalsContact C-N 3.31Å; F199-S201 PolarHBondContact O-N 3.2Å; F199-V202 HydrophobicContact CD2-CB 4.23Å; F199-V202 HydrophobicContact CD2-CG1 4.41Å; F199-V202 HydrophobicContact CE2-CB 4.34Å; F199-V202 HydrophobicContact CE2-CG1 4.09Å; F199-V202 WeakPolarHBondContact O-CB 3.42Å; F199-V202 PolarHBondContact O-N 3.49Å; F199-V202 VanDerWaalsContact O-N 3.11Å; F199-F203 HydrophobicContact CD1-CB 4.16Å; F199-F203 HydrophobicContact CE1-CB 3.7Å; F199-F203 AromaticContact CE1-CD2 3.94Å; F199-F203 HydrophobicContact CE1-CD2 3.94Å; F199-F203 HydrophobicContact CE1-CG 4.17Å; F199-F203 HydrophobicContact CZ-CB 4.16Å; F199-F203 HydrophobicContact CZ-CD2 4.28Å; F199-F203 PolarHBondContact O-N 2.66Å; F199-F229 HydrophobicContact CE2-CB 4.28Å; F199-F229 HydrophobicContact CE2-CD1 4.18Å; F199-F229 AromaticContact CE2-CD2 3.63Å; F199-F229 HydrophobicContact CE2-CD2 3.63Å; F199-F229 HydrophobicContact CE2-CE1 4.33Å; F199-F229 AromaticContact CE2-CE2 3.81Å; F199-F229 HydrophobicContact CE2-CE2 3.81Å; F199-F229 AromaticContact CE2-CG 3.81Å; F199-F229 HydrophobicContact CE2-CG 3.81Å; F199-F229 HydrophobicContact CE2-CZ 4.14Å; F199-F229 HydrophobicContact CZ-CB 4.13Å; F199-F229 AromaticContact CZ-CD2 3.76Å; F199-F229 HydrophobicContact CZ-CD2 3.76Å; F199-F229 HydrophobicContact CZ-CE2 4.28Å; F199-F229 HydrophobicContact CZ-CG 4.05Å; F199-W232 HydrophobicContact CB-CZ3 4.48Å; F199-W232 AromaticContact CD2-CH2 3.41Å; F199-W232 HydrophobicContact CD2-CH2 3.41Å; F199-W232 VanDerWaalsContact CD2-CH2 3.41Å; F199-W232 HydrophobicContact CD2-CZ2 4.23Å; F199-W232 AromaticContact CD2-CZ3 3.98Å; F199-W232 HydrophobicContact CD2-CZ3 3.98Å; F199-W232 AromaticContact CE2-CH2 3.82Å; F199-W232 HydrophobicContact CE2-CH2 3.82Å; F199-W232 HydrophobicContact CE2-CZ2 4.22Å; F199-W232 HydrophobicContact CG-CH2 4.08Å; F199-W232 HydrophobicContact CG-CZ3 4.2Å; F199-I233 HydrophobicContact CD1-CB 4.3Å; F199-I233 HydrophobicContact CD1-CG2 3.79Å; F199-I233 HydrophobicContact CD2-CG2 4.17Å; F199-I233 HydrophobicContact CE1-CB 3.81Å; F199-I233 HydrophobicContact CE1-CD1 4.28Å; F199-I233 HydrophobicContact CE1-CG2 3.23Å; F199-I233 HydrophobicContact CE2-CG2 3.67Å; F199-I233 HydrophobicContact CG-CG2 4.24Å; F199-I233 HydrophobicContact CZ-CB 4.21Å; F199-I233 HydrophobicContact CZ-CD1 4.46Å; F199-I233 HydrophobicContact CZ-CG2 3.19Å; F199-Y237 AromaticContact CD1-CD2 3.99Å; F199-Y237 HydrophobicContact CD1-CD2 3.99Å; F199-Y237 AromaticContact CD1-CE2 3.86Å; F199-Y237 HydrophobicContact CD1-CE2 3.86Å; F199-Y237 HydrophobicContact CE1-CD2 4.18Å; F199-Y237 HydrophobicContact CE1-CE2 4.48Å; F199-Y237 HydrophobicContact CE1-CG 4.4Å |
| 200 | R | 93.7 | Very high | 91.8 | Very high | 159 Ų | 159 | 46.8 Ų | 46.8 | 60% | 0.6 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -52.4 | -47.5 | -178.6 | -178 | 178.2 | 171.3 | 164.7 | 1.4 | 112.7 | E198 V202 F203 E204 Y237 | E198-R200 PolarHBondContact O-N 3.25Å; E198-R200 VanDerWaalsContact O-N 3.08Å; R200-V202 VanDerWaalsContact C-N 3.32Å; R200-V202 PolarHBondContact O-N 3.12Å; R200-F203 PolarHBondContact O-N 3.35Å; R200-E204 IonicContact CZ-OE1 2.87Å; R200-E204 IonicContact NE-OE1 3.32Å; R200-E204 PolarHBondContact NE-OE1 3.46Å; R200-E204 IonicContact NH2-OE1 2.84Å; R200-E204 PolarHBondContact NH2-OE1 2.91Å; R200-E204 WeakPolarHBondContact O-CG 3.35Å; R200-E204 PolarHBondContact O-N 3.43Å; R200-Y237 WeakPolarHBondContact CA-OH 3.38Å; R200-Y237 WeakPolarHBondContact CB-OH 3.49Å |
| 201 | S | 93.8 | Very high | 92.2 | Very high | 33 Ų | 33 | 47.3 Ų | 47.3 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.1 | -34.4 | -177.9 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | E198 F199 L205 | E198-S201 PolarHBondContact O-N 3.21Å; E198-S201 PolarHBondContact O-OG 3.06Å; E198-S201 VanDerWaalsContact O-OG 3.05Å; F199-S201 VanDerWaalsContact C-N 3.31Å; F199-S201 PolarHBondContact O-N 3.2Å; S201-L205 PolarHBondContact O-N 3.32Å; S201-L205 VanDerWaalsContact O-N 3.13Å |
| 202 | V | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 174.8 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | I147 V151 L168 F195 F199 R200 L205 C206 F229 | I147-V202 HydrophobicContact CG2-CG2 3.65Å; V151-V202 HydrophobicContact CG2-CG2 4.4Å; L168-V202 HydrophobicContact CD1-CG1 3.93Å; L168-V202 HydrophobicContact CD2-CG2 4.27Å; F195-V202 HydrophobicContact CE2-CG2 4.34Å; F199-V202 HydrophobicContact CD2-CB 4.23Å; F199-V202 HydrophobicContact CD2-CG1 4.41Å; F199-V202 HydrophobicContact CE2-CB 4.34Å; F199-V202 HydrophobicContact CE2-CG1 4.09Å; F199-V202 WeakPolarHBondContact O-CB 3.42Å; F199-V202 PolarHBondContact O-N 3.49Å; F199-V202 VanDerWaalsContact O-N 3.11Å; R200-V202 VanDerWaalsContact C-N 3.32Å; R200-V202 PolarHBondContact O-N 3.12Å; V202-L205 WeakPolarHBondContact O-CB 3.43Å; V202-L205 PolarHBondContact O-N 3.12Å; V202-C206 PolarHBondContact O-N 2.89Å; V202-C206 PolarHBondContact O-SG 3.31Å; V202-C206 VanDerWaalsContact O-SG 3.4Å; V202-F229 HydrophobicContact CG1-CE2 3.59Å; V202-F229 HydrophobicContact CG1-CZ 3.75Å |
| 203 | F | 95.2 | Very high | 92.7 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 178.4 | -174.5 | -97.5 | 0 | 0 | 0 | 112.7 | F199 R200 L205 C206 Q207 Y237 T241 L243 | F199-F203 HydrophobicContact CD1-CB 4.16Å; F199-F203 HydrophobicContact CE1-CB 3.7Å; F199-F203 AromaticContact CE1-CD2 3.94Å; F199-F203 HydrophobicContact CE1-CD2 3.94Å; F199-F203 HydrophobicContact CE1-CG 4.17Å; F199-F203 HydrophobicContact CZ-CB 4.16Å; F199-F203 HydrophobicContact CZ-CD2 4.28Å; F199-F203 PolarHBondContact O-N 2.66Å; R200-F203 PolarHBondContact O-N 3.35Å; F203-L205 VanDerWaalsContact C-N 3.25Å; F203-L205 PolarHBondContact O-N 3.2Å; F203-C206 PolarHBondContact O-N 2.99Å; F203-C206 VanDerWaalsContact O-N 3.16Å; F203-Q207 HydrophobicContact CD1-CG 4.12Å; F203-Q207 HydrophobicContact CE1-CG 3.64Å; F203-Q207 HydrophobicContact CZ-CG 3.92Å; F203-Q207 PolarHBondContact O-N 2.91Å; F203-Y237 HydrophobicContact CB-CD1 4.1Å; F203-Y237 HydrophobicContact CB-CE1 4.21Å; F203-Y237 AromaticContact CD1-CD1 3.35Å; F203-Y237 HydrophobicContact CD1-CD1 3.35Å; F203-Y237 AromaticContact CD1-CE1 3.94Å; F203-Y237 HydrophobicContact CD1-CE1 3.94Å; F203-Y237 HydrophobicContact CD1-CG 4.23Å; F203-Y237 HydrophobicContact CD2-CD1 4.17Å; F203-Y237 HydrophobicContact CD2-CG 4.29Å; F203-Y237 AromaticContact CE1-CD1 3.7Å; F203-Y237 HydrophobicContact CE1-CD1 3.7Å; F203-Y237 HydrophobicContact CE1-CG 4.42Å; F203-Y237 HydrophobicContact CE2-CD1 4.48Å; F203-Y237 AromaticContact CG-CD1 3.59Å; F203-Y237 HydrophobicContact CG-CD1 3.59Å; F203-Y237 HydrophobicContact CG-CE1 4.16Å; F203-Y237 HydrophobicContact CG-CG 4.14Å; F203-Y237 HydrophobicContact CZ-CD1 4.27Å; F203-Y237 WeakPolarHBondContact CZ-O 3.36Å; F203-T241 HydrophobicContact CE1-CG2 3.87Å; F203-T241 HydrophobicContact CZ-CG2 4.1Å; F203-L243 HydrophobicContact CE2-CD2 4.25Å |
| 204 | E | 94.7 | Very high | 92.8 | Very high | 96 Ų | 96 | 50 Ų | 50 | 45% | 0.449 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.3 | -38.6 | 174.1 | -74.5 | 173.2 | -178.6 | 0 | 0 | 111.1 | R200 Q207 F208 | R200-E204 IonicContact CZ-OE1 2.87Å; R200-E204 IonicContact NE-OE1 3.32Å; R200-E204 PolarHBondContact NE-OE1 3.46Å; R200-E204 IonicContact NH2-OE1 2.84Å; R200-E204 PolarHBondContact NH2-OE1 2.91Å; R200-E204 WeakPolarHBondContact O-CG 3.35Å; R200-E204 PolarHBondContact O-N 3.43Å; E204-Q207 PolarHBondContact O-N 3.18Å; E204-F208 WeakPolarHBondContact O-CB 3.22Å; E204-F208 PolarHBondContact O-N 3.41Å |
| 205 | L | 95.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 173 | 175.8 | 61.4 | 0 | 0 | 0 | 112.3 | V151 M165 S201 V202 F203 Q207 F208 I209 | V151-L205 HydrophobicContact CB-CD2 4.49Å; V151-L205 HydrophobicContact CG1-CB 4.44Å; V151-L205 HydrophobicContact CG2-CD2 4.15Å; M165-L205 HydrophobicContact CE-CD2 3.37Å; M165-L205 HydrophobicContact CE-CG 3.86Å; S201-L205 PolarHBondContact O-N 3.32Å; S201-L205 VanDerWaalsContact O-N 3.13Å; V202-L205 WeakPolarHBondContact O-CB 3.43Å; V202-L205 PolarHBondContact O-N 3.12Å; F203-L205 VanDerWaalsContact C-N 3.25Å; F203-L205 PolarHBondContact O-N 3.2Å; L205-Q207 VanDerWaalsContact C-N 3.34Å; L205-Q207 PolarHBondContact O-N 3.39Å; L205-F208 WeakPolarHBondContact O-CB 3.47Å; L205-F208 PolarHBondContact O-N 3.41Å; L205-I209 HydrophobicContact CD1-CD1 3.93Å; L205-I209 HydrophobicContact CD1-CG1 4.18Å; L205-I209 HydrophobicContact CG-CD1 3.93Å; L205-I209 VanDerWaalsContact O-CG1 3.29Å; L205-I209 WeakPolarHBondContact O-CG1 3.08Å; L205-I209 PolarHBondContact O-N 2.96Å |
| 206 | C | 95.7 | Very high | 93 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.2 | -46.5 | 176.1 | -67.1 | 0 | 0 | 0 | 0 | 111.4 | V202 F203 F208 I209 L210 T222 | V202-C206 PolarHBondContact O-N 2.89Å; V202-C206 PolarHBondContact O-SG 3.31Å; V202-C206 VanDerWaalsContact O-SG 3.4Å; F203-C206 PolarHBondContact O-N 2.99Å; F203-C206 VanDerWaalsContact O-N 3.16Å; C206-F208 VanDerWaalsContact C-N 3.34Å; C206-F208 PolarHBondContact O-N 3.05Å; C206-I209 PolarHBondContact O-N 3.09Å; C206-L210 WeakPolarHBondContact O-CB 3.32Å; C206-L210 VanDerWaalsContact O-CG 3.26Å; C206-L210 WeakPolarHBondContact O-CG 3.41Å; C206-L210 PolarHBondContact O-N 3.3Å; C206-T222 HydrophobicContact CB-CG2 4.07Å |
| 207 | Q | 93.2 | Very high | 93.1 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 29% | 0.285 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 177 | -74.1 | -166.3 | -35 | 0 | 0 | 112.4 | F203 E204 L205 I209 L210 T211 T241 | F203-Q207 HydrophobicContact CD1-CG 4.12Å; F203-Q207 HydrophobicContact CE1-CG 3.64Å; F203-Q207 HydrophobicContact CZ-CG 3.92Å; F203-Q207 PolarHBondContact O-N 2.91Å; E204-Q207 PolarHBondContact O-N 3.18Å; L205-Q207 VanDerWaalsContact C-N 3.34Å; L205-Q207 PolarHBondContact O-N 3.39Å; Q207-I209 PolarHBondContact O-N 3.36Å; Q207-L210 PolarHBondContact O-N 3.17Å; Q207-T211 VanDerWaalsContact O-CB 3.29Å; Q207-T211 WeakPolarHBondContact O-CB 3.49Å; Q207-T211 PolarHBondContact O-N 2.94Å; Q207-T211 PolarHBondContact O-OG1 2.84Å; Q207-T241 PolarHBondContact NE2-OG1 3.16Å |
| 208 | F | 94.2 | Very high | 93.4 | Very high | 101 Ų | 101 | 45.8 Ų | 45.8 | 44% | 0.443 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59 | -46.4 | 176.2 | 175.8 | -99.3 | 0 | 0 | 0 | 111.5 | H155 E204 L205 C206 T211 N212 | H155-F208 AromaticContact CE1-CD1 3.9Å; H155-F208 AromaticContact ND1-CE1 3.88Å; E204-F208 WeakPolarHBondContact O-CB 3.22Å; E204-F208 PolarHBondContact O-N 3.41Å; L205-F208 WeakPolarHBondContact O-CB 3.47Å; L205-F208 PolarHBondContact O-N 3.41Å; C206-F208 VanDerWaalsContact C-N 3.34Å; C206-F208 PolarHBondContact O-N 3.05Å; F208-T211 PolarHBondContact O-N 3.22Å; F208-N212 VanDerWaalsContact CD2-ND2 3.32Å; F208-N212 WeakPolarHBondContact CD2-ND2 3.28Å; F208-N212 HydrophobicContact CE2-CB 4.48Å; F208-N212 WeakPolarHBondContact O-CB 3.33Å; F208-N212 PolarHBondContact O-N 3.15Å; F208-N212 PolarHBondContact O-ND2 2.97Å |
| 209 | I | 95.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -50.7 | 179 | -63.6 | 161 | 0 | 0 | 0 | 111 | C161 M165 L205 C206 Q207 T211 N212 S213 L218 T222 | C161-I209 VanDerWaalsContact SG-CD1 3.53Å; M165-I209 HydrophobicContact CE-CD1 4Å; M165-I209 HydrophobicContact CG-CD1 4.22Å; M165-I209 HydrophobicContact SD-CD1 3.92Å; L205-I209 HydrophobicContact CD1-CD1 3.93Å; L205-I209 HydrophobicContact CD1-CG1 4.18Å; L205-I209 HydrophobicContact CG-CD1 3.93Å; L205-I209 VanDerWaalsContact O-CG1 3.29Å; L205-I209 WeakPolarHBondContact O-CG1 3.08Å; L205-I209 PolarHBondContact O-N 2.96Å; C206-I209 PolarHBondContact O-N 3.09Å; Q207-I209 PolarHBondContact O-N 3.36Å; I209-T211 PolarHBondContact O-N 2.83Å; I209-N212 PolarHBondContact O-N 3.46Å; I209-S213 WeakPolarHBondContact O-CB 3.47Å; I209-S213 PolarHBondContact O-N 3.46Å; I209-L218 HydrophobicContact CD1-CD1 4.44Å; I209-L218 HydrophobicContact CG2-CD1 4.32Å; I209-L218 HydrophobicContact CG2-CD2 4Å; I209-L218 HydrophobicContact CG2-CG 3.72Å; I209-T222 HydrophobicContact CB-CG2 4.29Å; I209-T222 HydrophobicContact CD1-CG2 4.32Å; I209-T222 HydrophobicContact CG2-CG2 4.27Å; I209-T222 WeakPolarHBondContact CG2-OG1 3.49Å |
| 210 | L | 93.7 | Very high | 93.7 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -29.2 | -178.1 | -67.9 | 177.5 | 0 | 0 | 0 | 112.5 | C206 Q207 V219 T222 L223 L226 L243 K250 F251 | C206-L210 WeakPolarHBondContact O-CB 3.32Å; C206-L210 VanDerWaalsContact O-CG 3.26Å; C206-L210 WeakPolarHBondContact O-CG 3.41Å; C206-L210 PolarHBondContact O-N 3.3Å; Q207-L210 PolarHBondContact O-N 3.17Å; L210-V219 HydrophobicContact CD2-CG1 4.32Å; L210-T222 HydrophobicContact CD2-CG2 4.1Å; L210-T222 HydrophobicContact CG-CG2 4.07Å; L210-L223 HydrophobicContact CD1-CD2 4.5Å; L210-L223 HydrophobicContact CD2-CD2 3.72Å; L210-L223 HydrophobicContact CD2-CG 4Å; L210-L226 HydrophobicContact CD1-CD2 4.46Å; L210-L243 HydrophobicContact CD1-CD1 4.23Å; L210-K250 PolarHBondContact O-NZ 2.69Å; L210-F251 HydrophobicContact CB-CE2 4Å; L210-F251 HydrophobicContact CB-CZ 4.08Å; L210-F251 HydrophobicContact CD2-CE2 3.77Å; L210-F251 HydrophobicContact CD2-CZ 3.81Å; L210-F251 HydrophobicContact CG-CE2 4.33Å; L210-F251 WeakPolarHBondContact O-CZ 3.41Å |
| 211 | T | 91.8 | Very high | 93.7 | Very high | 87 Ų | 87 | 40.5 Ų | 40.5 | 53% | 0.534 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -80.5 | -46.8 | 177.6 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | Q207 F208 I209 K250 | Q207-T211 VanDerWaalsContact O-CB 3.29Å; Q207-T211 WeakPolarHBondContact O-CB 3.49Å; Q207-T211 PolarHBondContact O-N 2.94Å; Q207-T211 PolarHBondContact O-OG1 2.84Å; F208-T211 PolarHBondContact O-N 3.22Å; I209-T211 PolarHBondContact O-N 2.83Å; T211-K250 PolarHBondContact O-NZ 2.83Å |
| 212 | N | 92.2 | Very high | 93.9 | Very high | 105 Ų | 105 | 38.9 Ų | 38.9 | 56% | 0.561 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -107.4 | -23.2 | -162 | -59.9 | -74 | 0 | 0 | 0 | 115.8 | F208 I209 | F208-N212 VanDerWaalsContact CD2-ND2 3.32Å; F208-N212 WeakPolarHBondContact CD2-ND2 3.28Å; F208-N212 HydrophobicContact CE2-CB 4.48Å; F208-N212 WeakPolarHBondContact O-CB 3.33Å; F208-N212 PolarHBondContact O-N 3.15Å; F208-N212 PolarHBondContact O-ND2 2.97Å; I209-N212 PolarHBondContact O-N 3.46Å |
| 213 | S | 90.6 | Very high | 94 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | trans | -81 | 138.8 | -174.4 | -170.9 | 0 | 0 | 0 | 0 | 112.5 | E158 I209 N215 | E158-S213 PolarHBondContact OE1-OG 3.21Å; I209-S213 WeakPolarHBondContact O-CB 3.47Å; I209-S213 PolarHBondContact O-N 3.46Å; S213-N215 PolarHBondContact OG-N 3.14Å; S213-N215 VanDerWaalsContact OG-N 3.15Å | ||
| 214 | S | 90.2 | Very high | 94 | Very high | 122 Ų | 122 | 42 Ų | 42 | 85% | 0.853 | 24% | 0.235 | S | C | * | . | trans | -98.1 | -1.8 | 168.6 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | G216 | S214-G216 PolarHBondContact O-N 3.39Š| ||
| 215 | N | 91.5 | Very high | 94.1 | Very high | 46 Ų | 46 | 37.5 Ų | 37.5 | 25% | 0.246 | 21% | 0.214 | C | C | . | . | trans | -83.1 | 105.6 | -177 | -175.8 | -27.2 | 0 | 0 | 0 | 110.6 | E158 S213 S217 L218 V219 | E158-N215 VanDerWaalsContact OE2-CB 3.27Å; E158-N215 WeakPolarHBondContact OE2-CB 3.49Å; E158-N215 PolarHBondContact OE2-ND2 3.03Å; S213-N215 PolarHBondContact OG-N 3.14Å; S213-N215 VanDerWaalsContact OG-N 3.15Å; N215-S217 VanDerWaalsContact C-N 3.28Å; N215-S217 PolarHBondContact O-N 3.28Å; N215-S217 PolarHBondContact OD1-N 2.81Å; N215-S217 PolarHBondContact OD1-OG 2.82Å; N215-L218 HydrophobicContact CB-CB 4.01Å; N215-L218 PolarHBondContact O-N 3.16Å; N215-L218 VanDerWaalsContact O-N 3.1Å; N215-L218 PolarHBondContact OD1-N 3.11Å; N215-V219 WeakPolarHBondContact O-CG2 3.46Å; N215-V219 PolarHBondContact O-N 2.95Å | ||
| 216 | G | 92.6 | Very high | 94.1 | Very high | 23 Ų | 23 | 37.4 Ų | 37.4 | 24% | 0.237 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.7 | -39 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S214 L218 V219 E220 F257 | S214-G216 PolarHBondContact O-N 3.39Å; G216-L218 VanDerWaalsContact C-N 3.34Å; G216-L218 PolarHBondContact O-N 3.25Å; G216-V219 PolarHBondContact O-N 3.25Å; G216-E220 WeakPolarHBondContact O-CB 3.33Å; G216-E220 PolarHBondContact O-N 3.44Å; G216-F257 WeakPolarHBondContact O-CE1 3.16Å |
| 217 | S | 92.2 | Very high | 94 | Very high | 43 Ų | 43 | 38.1 Ų | 38.1 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.4 | -32.3 | 179.7 | 71 | 0 | 0 | 0 | 0 | 113.3 | N215 A221 | N215-S217 VanDerWaalsContact C-N 3.28Å; N215-S217 PolarHBondContact O-N 3.28Å; N215-S217 PolarHBondContact OD1-N 2.81Å; N215-S217 PolarHBondContact OD1-OG 2.82Å; S217-A221 WeakPolarHBondContact O-CB 3.37Å; S217-A221 PolarHBondContact O-N 3.09Å; S217-A221 VanDerWaalsContact O-N 3.15Å |
| 218 | L | 95 | Very high | 94.1 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.6 | -43.4 | 175.6 | 175.1 | 59.1 | 0 | 0 | 0 | 110.8 | E158 C161 R162 M165 I209 N215 G216 A221 T222 | E158-L218 HydrophobicContact CB-CD2 4.19Å; E158-L218 HydrophobicContact CG-CD2 4.24Å; C161-L218 HydrophobicContact CB-CD1 4.07Å; C161-L218 HydrophobicContact CB-CD2 4.39Å; R162-L218 VanDerWaalsContact CA-CD1 3.49Å; R162-L218 HydrophobicContact CB-CD1 3.89Å; M165-L218 HydrophobicContact CG-CD1 4.43Å; I209-L218 HydrophobicContact CD1-CD1 4.44Å; I209-L218 HydrophobicContact CG2-CD1 4.32Å; I209-L218 HydrophobicContact CG2-CD2 4Å; I209-L218 HydrophobicContact CG2-CG 3.72Å; N215-L218 HydrophobicContact CB-CB 4.01Å; N215-L218 PolarHBondContact O-N 3.16Å; N215-L218 VanDerWaalsContact O-N 3.1Å; N215-L218 PolarHBondContact OD1-N 3.11Å; G216-L218 VanDerWaalsContact C-N 3.34Å; G216-L218 PolarHBondContact O-N 3.25Å; L218-A221 PolarHBondContact O-N 3.42Å; L218-T222 WeakPolarHBondContact O-CB 3.28Å; L218-T222 PolarHBondContact O-N 3Å; L218-T222 PolarHBondContact O-OG1 2.81Å |
| 219 | V | 96.2 | Very high | 94 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | L210 N215 G216 T222 L223 F251 F257 | L210-V219 HydrophobicContact CD2-CG1 4.32Å; N215-V219 WeakPolarHBondContact O-CG2 3.46Å; N215-V219 PolarHBondContact O-N 2.95Å; G216-V219 PolarHBondContact O-N 3.25Å; V219-T222 WeakPolarHBondContact O-CB 3.36Å; V219-T222 PolarHBondContact O-N 3.43Å; V219-L223 HydrophobicContact CG1-CD1 4.14Å; V219-L223 WeakPolarHBondContact O-CG 3.48Å; V219-L223 PolarHBondContact O-N 2.72Å; V219-F251 HydrophobicContact CG1-CD1 4.1Å; V219-F251 HydrophobicContact CG1-CE1 3.53Å; V219-F251 HydrophobicContact CG1-CZ 4.05Å; V219-F257 HydrophobicContact CB-CE1 4.05Å; V219-F257 HydrophobicContact CB-CZ 4.04Å; V219-F257 HydrophobicContact CG1-CD1 4.16Å; V219-F257 HydrophobicContact CG1-CD2 4.42Å; V219-F257 HydrophobicContact CG1-CE1 3.85Å; V219-F257 HydrophobicContact CG1-CE2 4.13Å; V219-F257 HydrophobicContact CG1-CG 4.44Å; V219-F257 HydrophobicContact CG1-CZ 3.84Å |
| 220 | E | 94.8 | Very high | 93.9 | Very high | 72 Ų | 72 | 34.4 Ų | 34.4 | 34% | 0.336 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59 | -50.5 | 176.6 | -175.2 | 176.1 | -152.1 | 0 | 0 | 111.8 | G216 T222 L223 E224 F257 | G216-E220 WeakPolarHBondContact O-CB 3.33Å; G216-E220 PolarHBondContact O-N 3.44Å; E220-T222 PolarHBondContact O-N 2.67Å; E220-L223 PolarHBondContact O-N 3.07Å; E220-L223 VanDerWaalsContact O-N 3.12Å; E220-E224 PolarHBondContact O-N 2.93Å; E220-F257 HydrophobicContact CB-CD1 4.37Å; E220-F257 HydrophobicContact CB-CE1 4.26Å |
| 221 | A | 95.1 | Very high | 93.5 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -35.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R162 M165 S217 L218 T225 | R162-A221 HydrophobicContact CG-CB 3.97Å; M165-A221 HydrophobicContact CB-CB 4.35Å; S217-A221 WeakPolarHBondContact O-CB 3.37Å; S217-A221 PolarHBondContact O-N 3.09Å; S217-A221 VanDerWaalsContact O-N 3.15Å; L218-A221 PolarHBondContact O-N 3.42Å; A221-T225 WeakPolarHBondContact O-CB 3.27Å; A221-T225 PolarHBondContact O-N 3.22Å; A221-T225 PolarHBondContact O-OG1 3.45Å |
| 222 | T | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.4 | -40.6 | 176.7 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | M165 C206 I209 L210 L218 V219 E220 T225 L226 | M165-T222 HydrophobicContact SD-CG2 4.19Å; C206-T222 HydrophobicContact CB-CG2 4.07Å; I209-T222 HydrophobicContact CB-CG2 4.29Å; I209-T222 HydrophobicContact CD1-CG2 4.32Å; I209-T222 HydrophobicContact CG2-CG2 4.27Å; I209-T222 WeakPolarHBondContact CG2-OG1 3.49Å; L210-T222 HydrophobicContact CD2-CG2 4.1Å; L210-T222 HydrophobicContact CG-CG2 4.07Å; L218-T222 WeakPolarHBondContact O-CB 3.28Å; L218-T222 PolarHBondContact O-N 3Å; L218-T222 PolarHBondContact O-OG1 2.81Å; V219-T222 WeakPolarHBondContact O-CB 3.36Å; V219-T222 PolarHBondContact O-N 3.43Å; E220-T222 PolarHBondContact O-N 2.67Å; T222-T225 PolarHBondContact O-N 3.46Å; T222-L226 WeakPolarHBondContact O-CB 3.45Å; T222-L226 PolarHBondContact O-N 2.94Å |
| 223 | L | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | 175.4 | -69.4 | 172.7 | 0 | 0 | 0 | 111.6 | L210 V219 E220 T225 L226 L227 L247 F251 F257 V260 | L210-L223 HydrophobicContact CD1-CD2 4.5Å; L210-L223 HydrophobicContact CD2-CD2 3.72Å; L210-L223 HydrophobicContact CD2-CG 4Å; V219-L223 HydrophobicContact CG1-CD1 4.14Å; V219-L223 WeakPolarHBondContact O-CG 3.48Å; V219-L223 PolarHBondContact O-N 2.72Å; E220-L223 PolarHBondContact O-N 3.07Å; E220-L223 VanDerWaalsContact O-N 3.12Å; L223-T225 VanDerWaalsContact C-N 3.3Å; L223-T225 PolarHBondContact O-N 3.31Å; L223-L226 PolarHBondContact O-N 3.18Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 PolarHBondContact O-N 2.88Å; L223-L247 HydrophobicContact CD2-CD2 3.5Å; L223-F251 HydrophobicContact CD1-CB 4.48Å; L223-F251 HydrophobicContact CD1-CG 4.39Å; L223-F251 HydrophobicContact CD2-CD2 4.44Å; L223-F257 HydrophobicContact CD1-CB 3.86Å; L223-F257 HydrophobicContact CD1-CD1 4.27Å; L223-F257 HydrophobicContact CD1-CG 4.18Å; L223-V260 HydrophobicContact CB-CG1 3.83Å; L223-V260 HydrophobicContact CB-CG2 3.89Å; L223-V260 HydrophobicContact CD1-CG1 3.83Å; L223-V260 HydrophobicContact CG-CG1 4.48Å |
| 224 | E | 96 | Very high | 93.1 | Very high | 71 Ų | 71 | 33.2 Ų | 33.2 | 33% | 0.332 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.4 | -36.4 | 173.7 | -71.9 | -172.5 | -172.3 | 0 | 0 | 112.7 | K169 E220 L227 V260 | K169-E224 HydrophobicContact CD-CB 4.41Å; K169-E224 IonicContact NZ-OE2 2.62Å; K169-E224 PolarHBondContact NZ-OE2 3.28Å; E220-E224 PolarHBondContact O-N 2.93Å; E224-L227 WeakPolarHBondContact O-CB 3.28Å; E224-V260 HydrophobicContact CG-CG2 4.09Å |
| 225 | T | 95.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.2 | -45.1 | 177.2 | -56.4 | 0 | 0 | 0 | 0 | 110.5 | M165 L168 K169 A221 T222 L223 L227 R228 F229 | M165-T225 PolarHBondContact O-OG1 3.31Å; L168-T225 HydrophobicContact CB-CG2 4.17Å; K169-T225 HydrophobicContact CB-CG2 4.06Å; A221-T225 WeakPolarHBondContact O-CB 3.27Å; A221-T225 PolarHBondContact O-N 3.22Å; A221-T225 PolarHBondContact O-OG1 3.45Å; T222-T225 PolarHBondContact O-N 3.46Å; L223-T225 VanDerWaalsContact C-N 3.3Å; L223-T225 PolarHBondContact O-N 3.31Å; T225-L227 VanDerWaalsContact C-N 3.28Å; T225-L227 PolarHBondContact O-N 3.25Å; T225-R228 PolarHBondContact O-N 3Å; T225-R228 VanDerWaalsContact O-N 3.14Å; T225-F229 HydrophobicContact CG2-CD2 4.22Å; T225-F229 HydrophobicContact CG2-CE1 4.17Å; T225-F229 HydrophobicContact CG2-CE2 3.54Å; T225-F229 HydrophobicContact CG2-CZ 3.52Å; T225-F229 WeakPolarHBondContact O-CG 3.46Å; T225-F229 PolarHBondContact O-N 3.25Å |
| 226 | L | 95.7 | Very high | 93 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.4 | -42.6 | 174.6 | 179.8 | 68.1 | 0 | 0 | 0 | 111.1 | L210 T222 L223 R228 F229 L230 L243 L247 | L210-L226 HydrophobicContact CD1-CD2 4.46Å; T222-L226 WeakPolarHBondContact O-CB 3.45Å; T222-L226 PolarHBondContact O-N 2.94Å; L223-L226 PolarHBondContact O-N 3.18Å; L226-R228 PolarHBondContact O-N 3.03Å; L226-F229 WeakPolarHBondContact O-CA 3.18Å; L226-F229 WeakPolarHBondContact O-CB 3.49Å; L226-F229 PolarHBondContact O-N 3.37Å; L226-L230 HydrophobicContact CD1-CD2 4.45Å; L226-L230 HydrophobicContact CG-CD1 4.48Å; L226-L230 HydrophobicContact CG-CG 4.32Å; L226-L230 WeakPolarHBondContact O-CG 3.26Å; L226-L230 PolarHBondContact O-N 3.48Å; L226-L243 HydrophobicContact CD1-CD2 4.27Å; L226-L243 HydrophobicContact CD2-CD1 3.74Å; L226-L243 HydrophobicContact CD2-CD2 4.24Å; L226-L243 HydrophobicContact CD2-CG 4.48Å; L226-L247 HydrophobicContact CD2-CD1 4.35Å; L226-L247 HydrophobicContact CD2-CD2 4.43Å |
| 227 | L | 95.1 | Very high | 93 | Very high | 17 Ų | 17 | 29.1 Ų | 29.1 | 9% | 0.089 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -51.7 | -43.1 | 176.4 | -180 | 63.6 | 0 | 0 | 0 | 112.2 | L223 E224 T225 F229 Q263 E267 | L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 PolarHBondContact O-N 2.88Å; E224-L227 WeakPolarHBondContact O-CB 3.28Å; T225-L227 VanDerWaalsContact C-N 3.28Å; T225-L227 PolarHBondContact O-N 3.25Å; L227-F229 VanDerWaalsContact C-N 3.34Å; L227-Q263 HydrophobicContact CD1-CB 4.01Å; L227-Q263 HydrophobicContact CD2-CB 4.19Å; L227-E267 HydrophobicContact CD1-CG 3.55Å |
| 228 | R | 93.6 | Very high | 93 | Very high | 85 Ų | 85 | 27.1 Ų | 27.1 | 32% | 0.321 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -73.2 | -24.8 | 177.4 | -63.6 | -53.9 | -175.5 | -143.5 | 0.8 | 114.1 | K169 S172 E173 T225 L226 W232 | K169-R228 HydrophobicContact CG-CG 3.89Å; S172-R228 PolarHBondContact OG-O 3.42Å; E173-R228 HydrophobicContact CG-CG 4.05Å; E173-R228 IonicContact OE1-CZ 2.66Å; E173-R228 IonicContact OE1-NE 3.6Å; E173-R228 PolarHBondContact OE1-NE 3.41Å; E173-R228 IonicContact OE1-NH2 2.76Å; T225-R228 PolarHBondContact O-N 3Å; T225-R228 VanDerWaalsContact O-N 3.14Å; L226-R228 PolarHBondContact O-N 3.03Å; R228-W232 PolarHBondContact O-NE1 3.28Å |
| 229 | F | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -77.5 | -34.2 | 176.1 | -65.3 | -23.4 | 0 | 0 | 0 | 113.1 | L168 F195 F199 V202 T225 L226 L227 N231 W232 I233 | L168-F229 HydrophobicContact CB-CZ 4.05Å; F195-F229 HydrophobicContact CE1-CE1 4.43Å; F195-F229 HydrophobicContact CZ-CE1 4.08Å; F195-F229 HydrophobicContact CZ-CZ 4.41Å; F199-F229 HydrophobicContact CE2-CB 4.28Å; F199-F229 HydrophobicContact CE2-CD1 4.18Å; F199-F229 AromaticContact CE2-CD2 3.63Å; F199-F229 HydrophobicContact CE2-CD2 3.63Å; F199-F229 HydrophobicContact CE2-CE1 4.33Å; F199-F229 AromaticContact CE2-CE2 3.81Å; F199-F229 HydrophobicContact CE2-CE2 3.81Å; F199-F229 AromaticContact CE2-CG 3.81Å; F199-F229 HydrophobicContact CE2-CG 3.81Å; F199-F229 HydrophobicContact CE2-CZ 4.14Å; F199-F229 HydrophobicContact CZ-CB 4.13Å; F199-F229 AromaticContact CZ-CD2 3.76Å; F199-F229 HydrophobicContact CZ-CD2 3.76Å; F199-F229 HydrophobicContact CZ-CE2 4.28Å; F199-F229 HydrophobicContact CZ-CG 4.05Å; V202-F229 HydrophobicContact CG1-CE2 3.59Å; V202-F229 HydrophobicContact CG1-CZ 3.75Å; T225-F229 HydrophobicContact CG2-CD2 4.22Å; T225-F229 HydrophobicContact CG2-CE1 4.17Å; T225-F229 HydrophobicContact CG2-CE2 3.54Å; T225-F229 HydrophobicContact CG2-CZ 3.52Å; T225-F229 WeakPolarHBondContact O-CG 3.46Å; T225-F229 PolarHBondContact O-N 3.25Å; L226-F229 WeakPolarHBondContact O-CA 3.18Å; L226-F229 WeakPolarHBondContact O-CB 3.49Å; L226-F229 PolarHBondContact O-N 3.37Å; L227-F229 VanDerWaalsContact C-N 3.34Å; F229-N231 PolarHBondContact O-N 2.97Å; F229-W232 AromaticContact CD1-CZ2 3.57Å; F229-W232 HydrophobicContact CD1-CZ2 3.57Å; F229-W232 HydrophobicContact CE1-CZ2 4.01Å; F229-W232 HydrophobicContact CG-CZ2 4.35Å; F229-W232 PolarHBondContact O-N 2.79Å; F229-I233 HydrophobicContact CB-CG2 3.79Å; F229-I233 WeakPolarHBondContact O-CG1 3.36Å; F229-I233 VanDerWaalsContact O-CG2 3.23Å; F229-I233 WeakPolarHBondContact O-CG2 3.41Å; F229-I233 PolarHBondContact O-N 2.99Å; F229-I233 VanDerWaalsContact O-N 3.08Å |
| 230 | L | 92 | Very high | 92.6 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -24.6 | -174.1 | -72.5 | 170.2 | 0 | 0 | 0 | 113.9 | L226 W232 I233 I238 C264 E267 I268 | L226-L230 HydrophobicContact CD1-CD2 4.45Å; L226-L230 HydrophobicContact CG-CD1 4.48Å; L226-L230 HydrophobicContact CG-CG 4.32Å; L226-L230 WeakPolarHBondContact O-CG 3.26Å; L226-L230 PolarHBondContact O-N 3.48Å; L230-W232 PolarHBondContact O-N 3.1Å; L230-I233 HydrophobicContact CD2-CD1 4.2Å; L230-I238 HydrophobicContact CD2-CD1 3.77Å; L230-I238 HydrophobicContact CD2-CG1 3.92Å; L230-C264 HydrophobicContact CD1-CB 3.73Å; L230-C264 WeakPolarHBondContact CD1-O 3.46Å; L230-E267 HydrophobicContact CB-CB 4.02Å; L230-E267 HydrophobicContact CD1-CB 4.08Å; L230-I268 HydrophobicContact CD1-CD1 4.33Å; L230-I268 HydrophobicContact CD1-CG1 4.02Å; L230-I268 HydrophobicContact CD2-CD1 4.14Å; L230-I268 HydrophobicContact CD2-CG1 3.72Å; L230-I268 HydrophobicContact CG-CG1 4.47Å |
| 231 | N | 84.6 | Confident | 92.5 | Very high | 85 Ų | 85 | 31.7 Ų | 31.7 | 46% | 0.455 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -23.1 | -179.2 | -64.6 | -5.8 | 0 | 0 | 0 | 114.4 | F229 E267 | F229-N231 PolarHBondContact O-N 2.97Å; N231-E267 PolarHBondContact OD1-OE2 3.17Å |
| 232 | W | 87.9 | Confident | 92.3 | Very high | 37 Ų | 37 | 38.5 Ų | 38.5 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.2 | -13 | -170.9 | 61.6 | -98.1 | 0 | 0 | 0 | 115 | S172 F176 F195 F199 R228 F229 L230 | S172-W232 PolarHBondContact OG-NE1 3.44Å; F176-W232 HydrophobicContact CD1-CB 3.64Å; F176-W232 AromaticContact CD1-CD1 3.85Å; F176-W232 HydrophobicContact CD1-CD2 4.07Å; F176-W232 AromaticContact CD1-CG 3.57Å; F176-W232 HydrophobicContact CD1-CG 3.57Å; F176-W232 AromaticContact CD2-CD1 3.71Å; F176-W232 AromaticContact CD2-CD2 3.92Å; F176-W232 HydrophobicContact CD2-CD2 3.92Å; F176-W232 AromaticContact CD2-CE2 3.63Å; F176-W232 AromaticContact CD2-CG 3.97Å; F176-W232 HydrophobicContact CD2-CG 3.97Å; F176-W232 HydrophobicContact CD2-CZ2 4.16Å; F176-W232 AromaticContact CD2-NE1 3.48Å; F176-W232 HydrophobicContact CE1-CB 3.69Å; F176-W232 AromaticContact CE1-CD2 3.67Å; F176-W232 HydrophobicContact CE1-CD2 3.67Å; F176-W232 AromaticContact CE1-CE3 3.87Å; F176-W232 HydrophobicContact CE1-CE3 3.87Å; F176-W232 AromaticContact CE1-CG 3.6Å; F176-W232 HydrophobicContact CE1-CG 3.6Å; F176-W232 AromaticContact CE2-CD2 3.49Å; F176-W232 HydrophobicContact CE2-CD2 3.49Å; F176-W232 VanDerWaalsContact CE2-CD2 3.49Å; F176-W232 AromaticContact CE2-CE2 3.35Å; F176-W232 AromaticContact CE2-CE3 3.85Å; F176-W232 HydrophobicContact CE2-CE3 3.85Å; F176-W232 AromaticContact CE2-CG 3.98Å; F176-W232 HydrophobicContact CE2-CG 3.98Å; F176-W232 AromaticContact CE2-CH2 3.94Å; F176-W232 HydrophobicContact CE2-CH2 3.94Å; F176-W232 AromaticContact CE2-CZ2 3.59Å; F176-W232 HydrophobicContact CE2-CZ2 3.59Å; F176-W232 HydrophobicContact CE2-CZ3 4.07Å; F176-W232 AromaticContact CE2-NE1 3.74Å; F176-W232 HydrophobicContact CG-CB 4.27Å; F176-W232 AromaticContact CG-CD1 3.57Å; F176-W232 HydrophobicContact CG-CD2 4.19Å; F176-W232 AromaticContact CG-CG 3.77Å; F176-W232 HydrophobicContact CG-CG 3.77Å; F176-W232 AromaticContact CG-NE1 3.86Å; F176-W232 HydrophobicContact CZ-CB 4.35Å; F176-W232 AromaticContact CZ-CD2 3.36Å; F176-W232 HydrophobicContact CZ-CD2 3.36Å; F176-W232 AromaticContact CZ-CE2 3.77Å; F176-W232 AromaticContact CZ-CE3 3.39Å; F176-W232 HydrophobicContact CZ-CE3 3.39Å; F176-W232 AromaticContact CZ-CG 3.82Å; F176-W232 HydrophobicContact CZ-CG 3.82Å; F176-W232 HydrophobicContact CZ-CH2 4.16Å; F176-W232 HydrophobicContact CZ-CZ2 4.16Å; F176-W232 AromaticContact CZ-CZ3 3.81Å; F176-W232 HydrophobicContact CZ-CZ3 3.81Å; F195-W232 HydrophobicContact CB-CH2 4.36Å; F195-W232 AromaticContact CD1-CH2 3.89Å; F195-W232 HydrophobicContact CD1-CH2 3.89Å; F195-W232 AromaticContact CD1-CZ2 3.96Å; F195-W232 HydrophobicContact CD1-CZ2 3.96Å; F195-W232 HydrophobicContact CD2-CH2 4.1Å; F195-W232 HydrophobicContact CE1-CH2 4.09Å; F195-W232 AromaticContact CE1-CZ2 3.87Å; F195-W232 HydrophobicContact CE1-CZ2 3.87Å; F195-W232 HydrophobicContact CE2-CH2 4.32Å; F195-W232 AromaticContact CG-CH2 3.86Å; F195-W232 HydrophobicContact CG-CH2 3.86Å; F195-W232 HydrophobicContact CG-CZ2 4.4Å; F195-W232 HydrophobicContact CZ-CH2 4.3Å; F195-W232 HydrophobicContact CZ-CZ2 4.28Å; F199-W232 HydrophobicContact CB-CZ3 4.48Å; F199-W232 AromaticContact CD2-CH2 3.41Å; F199-W232 HydrophobicContact CD2-CH2 3.41Å; F199-W232 VanDerWaalsContact CD2-CH2 3.41Å; F199-W232 HydrophobicContact CD2-CZ2 4.23Å; F199-W232 AromaticContact CD2-CZ3 3.98Å; F199-W232 HydrophobicContact CD2-CZ3 3.98Å; F199-W232 AromaticContact CE2-CH2 3.82Å; F199-W232 HydrophobicContact CE2-CH2 3.82Å; F199-W232 HydrophobicContact CE2-CZ2 4.22Å; F199-W232 HydrophobicContact CG-CH2 4.08Å; F199-W232 HydrophobicContact CG-CZ3 4.2Å; R228-W232 PolarHBondContact O-NE1 3.28Å; F229-W232 AromaticContact CD1-CZ2 3.57Å; F229-W232 HydrophobicContact CD1-CZ2 3.57Å; F229-W232 HydrophobicContact CE1-CZ2 4.01Å; F229-W232 HydrophobicContact CG-CZ2 4.35Å; F229-W232 PolarHBondContact O-N 2.79Å; L230-W232 PolarHBondContact O-N 3.1Å |
| 233 | I | 90.5 | Very high | 92.2 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 5% | 0.046 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -67.8 | 149 | -177.8 | 60.8 | 177.2 | 0 | 0 | 0 | 112.1 | F199 F229 L230 V235 I238 | F199-I233 HydrophobicContact CD1-CB 4.3Å; F199-I233 HydrophobicContact CD1-CG2 3.79Å; F199-I233 HydrophobicContact CD2-CG2 4.17Å; F199-I233 HydrophobicContact CE1-CB 3.81Å; F199-I233 HydrophobicContact CE1-CD1 4.28Å; F199-I233 HydrophobicContact CE1-CG2 3.23Å; F199-I233 HydrophobicContact CE2-CG2 3.67Å; F199-I233 HydrophobicContact CG-CG2 4.24Å; F199-I233 HydrophobicContact CZ-CB 4.21Å; F199-I233 HydrophobicContact CZ-CD1 4.46Å; F199-I233 HydrophobicContact CZ-CG2 3.19Å; F229-I233 HydrophobicContact CB-CG2 3.79Å; F229-I233 WeakPolarHBondContact O-CG1 3.36Å; F229-I233 VanDerWaalsContact O-CG2 3.23Å; F229-I233 WeakPolarHBondContact O-CG2 3.41Å; F229-I233 PolarHBondContact O-N 2.99Å; F229-I233 VanDerWaalsContact O-N 3.08Å; L230-I233 HydrophobicContact CD2-CD1 4.2Å; I233-V235 PolarHBondContact O-N 3.37Å; I233-I238 HydrophobicContact CD1-CD1 4.13Å; I233-I238 HydrophobicContact CD1-CG1 3.79Å; I233-I238 HydrophobicContact CG1-CD1 4.05Å; I233-I238 HydrophobicContact CG1-CG1 4.16Å |
| 234 | P | 88.4 | Confident | 92 | Very high | 62 Ų | 62 | 38.9 Ų | 38.9 | 40% | 0.403 | 19% | 0.194 | S | C | . | . | trans | -55.2 | 128.6 | 172.9 | -26.1 | 34.4 | 0 | 0 | 0 | 111.6 | G236 Y237 | P234-G236 PolarHBondContact O-N 2.79Å; P234-Y237 HydrophobicContact CB-CD2 3.97Å; P234-Y237 HydrophobicContact CB-CE2 4.14Å; P234-Y237 HydrophobicContact CG-CD2 4.18Å; P234-Y237 HydrophobicContact CG-CE2 4.02Å; P234-Y237 WeakPolarHBondContact O-CD2 3.39Å; P234-Y237 PolarHBondContact O-N 3.28Å | ||
| 235 | V | 89.5 | Confident | 91.8 | Very high | 28 Ų | 28 | 37.7 Ų | 37.7 | 17% | 0.17 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.7 | -173.3 | -59.2 | 0 | 0 | 0 | 0 | 114.1 | I233 Y237 I238 F239 V271 P274 Y281 | I233-V235 PolarHBondContact O-N 3.37Å; V235-Y237 VanDerWaalsContact C-N 3.27Å; V235-Y237 PolarHBondContact O-N 3.1Å; V235-I238 WeakPolarHBondContact O-CB 3.29Å; V235-I238 PolarHBondContact O-N 2.87Å; V235-F239 HydrophobicContact CB-CD2 3.96Å; V235-F239 HydrophobicContact CB-CE2 4.07Å; V235-F239 VanDerWaalsContact O-CD2 3.26Å; V235-F239 WeakPolarHBondContact O-CD2 3.37Å; V235-F239 PolarHBondContact O-N 3.4Å; V235-V271 HydrophobicContact CG1-CG1 3.55Å; V235-P274 HydrophobicContact CG2-CG 4.04Å; V235-Y281 HydrophobicContact CG2-CE2 3.89Å |
| 236 | G | 90.1 | Very high | 91.7 | Very high | 20 Ų | 20 | 39 Ų | 39 | 21% | 0.206 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57 | -37.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P234 I238 E240 | P234-G236 PolarHBondContact O-N 2.79Å; G236-I238 PolarHBondContact O-N 3.02Å; G236-E240 WeakPolarHBondContact O-CA 3.45Å; G236-E240 VanDerWaalsContact O-CB 3.23Å; G236-E240 WeakPolarHBondContact O-CB 3.31Å; G236-E240 PolarHBondContact O-N 3.33Å |
| 237 | Y | 92.2 | Very high | 91.6 | Very high | 58 Ų | 58 | 39 Ų | 39 | 23% | 0.227 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.7 | -29 | 176.1 | -69.4 | -69.4 | 0 | 0 | 0 | 112.7 | F199 R200 F203 P234 V235 T241 | F199-Y237 AromaticContact CD1-CD2 3.99Å; F199-Y237 HydrophobicContact CD1-CD2 3.99Å; F199-Y237 AromaticContact CD1-CE2 3.86Å; F199-Y237 HydrophobicContact CD1-CE2 3.86Å; F199-Y237 HydrophobicContact CE1-CD2 4.18Å; F199-Y237 HydrophobicContact CE1-CE2 4.48Å; F199-Y237 HydrophobicContact CE1-CG 4.4Å; R200-Y237 WeakPolarHBondContact CA-OH 3.38Å; R200-Y237 WeakPolarHBondContact CB-OH 3.49Å; F203-Y237 HydrophobicContact CB-CD1 4.1Å; F203-Y237 HydrophobicContact CB-CE1 4.21Å; F203-Y237 AromaticContact CD1-CD1 3.35Å; F203-Y237 HydrophobicContact CD1-CD1 3.35Å; F203-Y237 AromaticContact CD1-CE1 3.94Å; F203-Y237 HydrophobicContact CD1-CE1 3.94Å; F203-Y237 HydrophobicContact CD1-CG 4.23Å; F203-Y237 HydrophobicContact CD2-CD1 4.17Å; F203-Y237 HydrophobicContact CD2-CG 4.29Å; F203-Y237 AromaticContact CE1-CD1 3.7Å; F203-Y237 HydrophobicContact CE1-CD1 3.7Å; F203-Y237 HydrophobicContact CE1-CG 4.42Å; F203-Y237 HydrophobicContact CE2-CD1 4.48Å; F203-Y237 AromaticContact CG-CD1 3.59Å; F203-Y237 HydrophobicContact CG-CD1 3.59Å; F203-Y237 HydrophobicContact CG-CE1 4.16Å; F203-Y237 HydrophobicContact CG-CG 4.14Å; F203-Y237 HydrophobicContact CZ-CD1 4.27Å; F203-Y237 WeakPolarHBondContact CZ-O 3.36Å; P234-Y237 HydrophobicContact CB-CD2 3.97Å; P234-Y237 HydrophobicContact CB-CE2 4.14Å; P234-Y237 HydrophobicContact CG-CD2 4.18Å; P234-Y237 HydrophobicContact CG-CE2 4.02Å; P234-Y237 WeakPolarHBondContact O-CD2 3.39Å; P234-Y237 PolarHBondContact O-N 3.28Å; V235-Y237 VanDerWaalsContact C-N 3.27Å; V235-Y237 PolarHBondContact O-N 3.1Å; Y237-T241 VanDerWaalsContact O-CG2 3.25Å; Y237-T241 WeakPolarHBondContact O-CG2 3.39Å; Y237-T241 PolarHBondContact O-OG1 3.11Å |
| 238 | I | 92.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -81.5 | -50.3 | -179.8 | -58 | 175.4 | 0 | 0 | 0 | 110.6 | L230 I233 V235 G236 I244 I268 V271 | L230-I238 HydrophobicContact CD2-CD1 3.77Å; L230-I238 HydrophobicContact CD2-CG1 3.92Å; I233-I238 HydrophobicContact CD1-CD1 4.13Å; I233-I238 HydrophobicContact CD1-CG1 3.79Å; I233-I238 HydrophobicContact CG1-CD1 4.05Å; I233-I238 HydrophobicContact CG1-CG1 4.16Å; V235-I238 WeakPolarHBondContact O-CB 3.29Å; V235-I238 PolarHBondContact O-N 2.87Å; G236-I238 PolarHBondContact O-N 3.02Å; I238-I244 HydrophobicContact CG2-CD1 4.24Å; I238-I244 HydrophobicContact CG2-CG1 4.37Å; I238-I268 HydrophobicContact CG2-CB 4.42Å; I238-I268 HydrophobicContact CG2-CD1 4.18Å; I238-I268 HydrophobicContact CG2-CG1 3.85Å; I238-I268 HydrophobicContact CG2-CG2 3.8Å; I238-V271 HydrophobicContact CD1-CG2 3.99Å |
| 239 | F | 91.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -99.3 | -20.1 | -167.3 | -60.8 | -69.8 | 0 | 0 | 0 | 115.2 | V235 I244 I268 V271 L273 Y281 Q284 L285 | V235-F239 HydrophobicContact CB-CD2 3.96Å; V235-F239 HydrophobicContact CB-CE2 4.07Å; V235-F239 VanDerWaalsContact O-CD2 3.26Å; V235-F239 WeakPolarHBondContact O-CD2 3.37Å; V235-F239 PolarHBondContact O-N 3.4Å; F239-I244 HydrophobicContact CD1-CD1 3.57Å; F239-I244 HydrophobicContact CE1-CD1 3.87Å; F239-I268 HydrophobicContact CE1-CG2 4.21Å; F239-I268 HydrophobicContact CZ-CG2 4.39Å; F239-V271 HydrophobicContact CE2-CG1 4.22Å; F239-L273 HydrophobicContact CD2-CD2 4.26Å; F239-L273 HydrophobicContact CE2-CD2 3.45Å; F239-L273 VanDerWaalsContact CE2-CD2 3.45Å; F239-L273 HydrophobicContact CZ-CD2 3.69Å; F239-Y281 HydrophobicContact CB-CD1 3.25Å; F239-Y281 HydrophobicContact CB-CE1 3.56Å; F239-Y281 HydrophobicContact CB-CG 3.87Å; F239-Y281 HydrophobicContact CD1-CG 4.49Å; F239-Y281 HydrophobicContact CD2-CD1 4.15Å; F239-Y281 HydrophobicContact CD2-CD2 4.11Å; F239-Y281 HydrophobicContact CD2-CE2 4.48Å; F239-Y281 AromaticContact CD2-CG 3.92Å; F239-Y281 HydrophobicContact CD2-CG 3.92Å; F239-Y281 AromaticContact CG-CD1 3.77Å; F239-Y281 HydrophobicContact CG-CD1 3.77Å; F239-Y281 HydrophobicContact CG-CD2 4.49Å; F239-Y281 HydrophobicContact CG-CE1 4.35Å; F239-Y281 AromaticContact CG-CG 3.84Å; F239-Y281 HydrophobicContact CG-CG 3.84Å; F239-Q284 HydrophobicContact CD1-CB 3.99Å; F239-L285 HydrophobicContact CE1-CD1 4.36Å; F239-L285 HydrophobicContact CE1-CD2 3.74Å; F239-L285 HydrophobicContact CE1-CG 3.78Å; F239-L285 HydrophobicContact CZ-CD2 4.21Å; F239-L285 HydrophobicContact CZ-CG 4.39Å |
| 240 | E | 91.1 | Very high | 91 | Very high | 136 Ų | 136 | 42.1 Ų | 42.1 | 64% | 0.636 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -101.6 | 13.6 | -178.5 | -54.3 | 177.6 | -176.1 | 0 | 0 | 112.2 | G236 Y281 | G236-E240 WeakPolarHBondContact O-CA 3.45Å; G236-E240 VanDerWaalsContact O-CB 3.23Å; G236-E240 WeakPolarHBondContact O-CB 3.31Å; G236-E240 PolarHBondContact O-N 3.33Å; E240-Y281 HydrophobicContact CG-CE1 3.87Å; E240-Y281 PolarHBondContact OE1-OH 2.74Å |
| 241 | T | 92.5 | Very high | 91.1 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 23% | 0.233 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -129.1 | 172.6 | 179.1 | 79.9 | 0 | 0 | 0 | 0 | 111.3 | F203 Q207 Y237 L243 | F203-T241 HydrophobicContact CE1-CG2 3.87Å; F203-T241 HydrophobicContact CZ-CG2 4.1Å; Q207-T241 PolarHBondContact NE2-OG1 3.16Å; Y237-T241 VanDerWaalsContact O-CG2 3.25Å; Y237-T241 WeakPolarHBondContact O-CG2 3.39Å; Y237-T241 PolarHBondContact O-OG1 3.11Å; T241-L243 PolarHBondContact O-N 3.4Å; T241-L243 WeakPolarHBondContact OG1-CB 3.48Å; T241-L243 PolarHBondContact OG1-N 2.66Å |
| 242 | E | 92.1 | Very high | 91.4 | Very high | 153 Ų | 153 | 38.3 Ų | 38.3 | 72% | 0.715 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -78.6 | 12.5 | 177.9 | -60.4 | -169.5 | 165.5 | 0 | 0 | 113.6 | A245 T246 | E242-A245 PolarHBondContact O-N 3.01Å; E242-T246 WeakPolarHBondContact O-CB 3.33Å; E242-T246 PolarHBondContact O-N 2.77Å; E242-T246 PolarHBondContact O-OG1 2.9Å |
| 243 | L | 93.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -52.2 | -173.8 | -177.7 | 63.5 | 0 | 0 | 0 | 112.4 | F203 L210 L226 T241 A245 T246 L247 | F203-L243 HydrophobicContact CE2-CD2 4.25Å; L210-L243 HydrophobicContact CD1-CD1 4.23Å; L226-L243 HydrophobicContact CD1-CD2 4.27Å; L226-L243 HydrophobicContact CD2-CD1 3.74Å; L226-L243 HydrophobicContact CD2-CD2 4.24Å; L226-L243 HydrophobicContact CD2-CG 4.48Å; T241-L243 PolarHBondContact O-N 3.4Å; T241-L243 WeakPolarHBondContact OG1-CB 3.48Å; T241-L243 PolarHBondContact OG1-N 2.66Å; L243-A245 VanDerWaalsContact C-N 3.34Å; L243-A245 PolarHBondContact O-N 3.4Å; L243-T246 PolarHBondContact O-N 2.8Å; L243-L247 HydrophobicContact CD1-CD1 4.07Å; L243-L247 HydrophobicContact CD1-CG 4.17Å; L243-L247 HydrophobicContact CG-CD1 3.95Å; L243-L247 HydrophobicContact CG-CG 4.43Å; L243-L247 WeakPolarHBondContact O-CG 3.34Å; L243-L247 PolarHBondContact O-N 2.98Å |
| 244 | I | 93.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59 | -45.5 | -179.3 | -69.2 | 171.9 | 0 | 0 | 0 | 111.1 | I238 F239 L247 S248 I268 Q284 L288 | I238-I244 HydrophobicContact CG2-CD1 4.24Å; I238-I244 HydrophobicContact CG2-CG1 4.37Å; F239-I244 HydrophobicContact CD1-CD1 3.57Å; F239-I244 HydrophobicContact CE1-CD1 3.87Å; I244-L247 PolarHBondContact O-N 3.3Å; I244-S248 VanDerWaalsContact O-CB 3.32Å; I244-S248 WeakPolarHBondContact O-CB 3.39Å; I244-S248 PolarHBondContact O-N 3.35Å; I244-S248 PolarHBondContact O-OG 3.2Å; I244-I268 HydrophobicContact CD1-CG2 4.18Å; I244-I268 HydrophobicContact CG1-CD1 4.41Å; I244-I268 HydrophobicContact CG1-CG2 4.28Å; I244-Q284 HydrophobicContact CD1-CB 4.02Å; I244-L288 HydrophobicContact CG1-CD1 4.46Å; I244-L288 HydrophobicContact CG2-CB 3.69Å; I244-L288 HydrophobicContact CG2-CD1 3.97Å; I244-L288 HydrophobicContact CG2-CG 3.98Å |
| 245 | A | 92.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.9 | -48.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E242 L243 L247 S248 T249 | E242-A245 PolarHBondContact O-N 3.01Å; L243-A245 VanDerWaalsContact C-N 3.34Å; L243-A245 PolarHBondContact O-N 3.4Å; A245-L247 PolarHBondContact O-N 2.98Å; A245-S248 PolarHBondContact O-N 2.96Å; A245-S248 PolarHBondContact O-OG 2.93Å; A245-T249 PolarHBondContact O-N 3.45Å; A245-T249 PolarHBondContact O-OG1 2.96Å |
| 246 | T | 92.4 | Very high | 91.3 | Very high | 29 Ų | 29 | 44.2 Ų | 44.2 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -47.1 | 179.7 | -54.1 | 0 | 0 | 0 | 0 | 112 | E242 L243 K250 F251 | E242-T246 WeakPolarHBondContact O-CB 3.33Å; E242-T246 PolarHBondContact O-N 2.77Å; E242-T246 PolarHBondContact O-OG1 2.9Å; L243-T246 PolarHBondContact O-N 2.8Å; T246-K250 HydrophobicContact CG2-CB 4.38Å; T246-K250 HydrophobicContact CG2-CD 4.16Å; T246-K250 WeakPolarHBondContact O-CA 3.37Å; T246-K250 WeakPolarHBondContact O-CB 3.5Å; T246-K250 PolarHBondContact O-N 3.09Å; T246-F251 HydrophobicContact CG2-CD2 3.99Å; T246-F251 HydrophobicContact CG2-CE2 3.53Å; T246-F251 HydrophobicContact CG2-CZ 4.47Å; T246-F251 PolarHBondContact O-N 3.45Å |
| 247 | L | 94.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -62.6 | -52.3 | 178.2 | -68.1 | 174 | 0 | 0 | 0 | 111.4 | L223 L226 L243 I244 A245 T249 F251 L252 T261 C264 L265 I268 | L223-L247 HydrophobicContact CD2-CD2 3.5Å; L226-L247 HydrophobicContact CD2-CD1 4.35Å; L226-L247 HydrophobicContact CD2-CD2 4.43Å; L243-L247 HydrophobicContact CD1-CD1 4.07Å; L243-L247 HydrophobicContact CD1-CG 4.17Å; L243-L247 HydrophobicContact CG-CD1 3.95Å; L243-L247 HydrophobicContact CG-CG 4.43Å; L243-L247 WeakPolarHBondContact O-CG 3.34Å; L243-L247 PolarHBondContact O-N 2.98Å; I244-L247 PolarHBondContact O-N 3.3Å; A245-L247 PolarHBondContact O-N 2.98Å; L247-T249 PolarHBondContact O-N 3.43Å; L247-F251 HydrophobicContact CD2-CD2 4.27Å; L247-L252 PolarHBondContact O-N 3.27Å; L247-L252 VanDerWaalsContact O-N 3.08Å; L247-T261 HydrophobicContact CB-CG2 3.98Å; L247-T261 HydrophobicContact CD2-CG2 4.17Å; L247-T261 VanDerWaalsContact O-CG2 3.25Å; L247-T261 WeakPolarHBondContact O-CG2 3.3Å; L247-C264 HydrophobicContact CD1-CB 4.16Å; L247-L265 HydrophobicContact CB-CD2 3.85Å; L247-L265 HydrophobicContact CB-CG 4.41Å; L247-L265 HydrophobicContact CD1-CD2 4.34Å; L247-I268 HydrophobicContact CD1-CD1 3.75Å |
| 248 | S | 91.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -70.3 | -26.6 | -173.2 | 60.5 | 0 | 0 | 0 | 0 | 114.4 | I244 A245 N291 | I244-S248 VanDerWaalsContact O-CB 3.32Å; I244-S248 WeakPolarHBondContact O-CB 3.39Å; I244-S248 PolarHBondContact O-N 3.35Å; I244-S248 PolarHBondContact O-OG 3.2Å; A245-S248 PolarHBondContact O-N 2.96Å; A245-S248 PolarHBondContact O-OG 2.93Å; S248-N291 PolarHBondContact OG-ND2 2.98Å |
| 249 | T | 89 | Confident | 91.6 | Very high | 67 Ų | 67 | 44.5 Ų | 44.5 | 41% | 0.411 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -109.5 | -34.7 | -177.1 | 70.1 | 0 | 0 | 0 | 0 | 114.7 | A245 L247 | A245-T249 PolarHBondContact O-N 3.45Å; A245-T249 PolarHBondContact O-OG1 2.96Å; L247-T249 PolarHBondContact O-N 3.43Å |
| 250 | K | 90.4 | Very high | 91.8 | Very high | 99 Ų | 99 | 45.1 Ų | 45.1 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -91.4 | -52.4 | -175.8 | -173.6 | -176.9 | 176.8 | -177.2 | 0 | 111.6 | L210 T211 T246 | L210-K250 PolarHBondContact O-NZ 2.69Å; T211-K250 PolarHBondContact O-NZ 2.83Å; T246-K250 HydrophobicContact CG2-CB 4.38Å; T246-K250 HydrophobicContact CG2-CD 4.16Å; T246-K250 WeakPolarHBondContact O-CA 3.37Å; T246-K250 WeakPolarHBondContact O-CB 3.5Å; T246-K250 PolarHBondContact O-N 3.09Å |
| 251 | F | 92.6 | Very high | 92 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -91.3 | -30.7 | -169.1 | -62.8 | -62 | 0 | 0 | 0 | 113.8 | L210 V219 L223 T246 L247 V253 A254 F257 T261 | L210-F251 HydrophobicContact CB-CE2 4Å; L210-F251 HydrophobicContact CB-CZ 4.08Å; L210-F251 HydrophobicContact CD2-CE2 3.77Å; L210-F251 HydrophobicContact CD2-CZ 3.81Å; L210-F251 HydrophobicContact CG-CE2 4.33Å; L210-F251 WeakPolarHBondContact O-CZ 3.41Å; V219-F251 HydrophobicContact CG1-CD1 4.1Å; V219-F251 HydrophobicContact CG1-CE1 3.53Å; V219-F251 HydrophobicContact CG1-CZ 4.05Å; L223-F251 HydrophobicContact CD1-CB 4.48Å; L223-F251 HydrophobicContact CD1-CG 4.39Å; L223-F251 HydrophobicContact CD2-CD2 4.44Å; T246-F251 HydrophobicContact CG2-CD2 3.99Å; T246-F251 HydrophobicContact CG2-CE2 3.53Å; T246-F251 HydrophobicContact CG2-CZ 4.47Å; T246-F251 PolarHBondContact O-N 3.45Å; L247-F251 HydrophobicContact CD2-CD2 4.27Å; F251-V253 VanDerWaalsContact C-N 3.29Å; F251-V253 PolarHBondContact O-N 3.31Å; F251-A254 PolarHBondContact O-N 2.74Å; F251-F257 HydrophobicContact CB-CB 4.23Å; F251-F257 AromaticContact CD1-CD2 3.75Å; F251-F257 HydrophobicContact CD1-CD2 3.75Å; F251-F257 HydrophobicContact CD1-CE2 4.3Å; F251-F257 HydrophobicContact CD1-CG 4.31Å; F251-F257 HydrophobicContact CE1-CD2 4.44Å; F251-T261 HydrophobicContact CB-CG2 3.99Å; F251-T261 VanDerWaalsContact CB-OG1 3.31Å; F251-T261 WeakPolarHBondContact CB-OG1 3.29Å |
| 252 | L | 90.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -60.7 | -38.8 | 178 | -176.8 | 61.2 | 0 | 0 | 0 | 112.3 | L247 A254 R258 T261 L262 L265 V292 Q295 M318 | L247-L252 PolarHBondContact O-N 3.27Å; L247-L252 VanDerWaalsContact O-N 3.08Å; L252-A254 VanDerWaalsContact C-N 3.3Å; L252-A254 PolarHBondContact O-N 3.34Å; L252-R258 HydrophobicContact CD1-CG 4.3Å; L252-T261 HydrophobicContact CB-CG2 4.12Å; L252-L262 HydrophobicContact CD1-CB 4.3Å; L252-L262 HydrophobicContact CD1-CD1 4.44Å; L252-L265 HydrophobicContact CD2-CD1 4.3Å; L252-V292 HydrophobicContact CD2-CB 4.37Å; L252-V292 HydrophobicContact CD2-CG1 4.34Å; L252-V292 HydrophobicContact CD2-CG2 3.96Å; L252-Q295 HydrophobicContact CD2-CB 4.32Å; L252-Q295 HydrophobicContact CD2-CG 4.38Å; L252-M318 HydrophobicContact CD1-CE 4.36Å; L252-M318 HydrophobicContact CG-CE 4.2Å; L252-M318 WeakPolarHBondContact O-CE 3.4Å |
| 253 | V | 88.2 | Confident | 92.4 | Very high | 43 Ų | 43 | 33 Ų | 33 | 26% | 0.261 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -70.2 | -27.5 | -178.3 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | F251 P255 Q295 | F251-V253 VanDerWaalsContact C-N 3.29Å; F251-V253 PolarHBondContact O-N 3.31Å; V253-P255 WeakPolarHBondContact O-CD 3.38Å; V253-Q295 HydrophobicContact CG2-CG 4.09Å |
| 254 | A | 89.2 | Confident | 92.6 | Very high | 29 Ų | 29 | 32.7 Ų | 32.7 | 24% | 0.24 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -79.4 | 117 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F251 L252 L256 F257 R258 | F251-A254 PolarHBondContact O-N 2.74Å; L252-A254 VanDerWaalsContact C-N 3.3Å; L252-A254 PolarHBondContact O-N 3.34Å; A254-L256 PolarHBondContact O-N 3.01Å; A254-L256 VanDerWaalsContact O-N 3.09Å; A254-F257 HydrophobicContact CB-CD2 3.75Å; A254-F257 HydrophobicContact CB-CE2 4.4Å; A254-F257 PolarHBondContact O-N 3.25Å; A254-R258 PolarHBondContact O-N 2.93Å |
| 255 | P | 87.7 | Confident | 92.7 | Very high | 78 Ų | 78 | 32.6 Ų | 32.6 | 51% | 0.506 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -35.1 | -176.3 | -26.7 | 34.1 | 0 | 0 | 0 | 114.4 | V253 F257 | V253-P255 WeakPolarHBondContact O-CD 3.38Å; P255-F257 VanDerWaalsContact C-N 3.33Å; P255-F257 PolarHBondContact O-N 3Å |
| 256 | L | 90 | Very high | 92.9 | Very high | 109 Ų | 109 | 31.1 Ų | 31.1 | 57% | 0.571 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -35.3 | 179.6 | -175 | 63.2 | 0 | 0 | 0 | 113 | A254 | A254-L256 PolarHBondContact O-N 3.01Å; A254-L256 VanDerWaalsContact O-N 3.09Å |
| 257 | F | 93.7 | Very high | 93 | Very high | 26 Ų | 26 | 33 Ų | 33 | 11% | 0.114 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -8.7 | -174.7 | -49.1 | -52.8 | 0 | 0 | 0 | 113.3 | G216 V219 E220 L223 F251 A254 P255 N259 V260 T261 | G216-F257 WeakPolarHBondContact O-CE1 3.16Å; V219-F257 HydrophobicContact CB-CE1 4.05Å; V219-F257 HydrophobicContact CB-CZ 4.04Å; V219-F257 HydrophobicContact CG1-CD1 4.16Å; V219-F257 HydrophobicContact CG1-CD2 4.42Å; V219-F257 HydrophobicContact CG1-CE1 3.85Å; V219-F257 HydrophobicContact CG1-CE2 4.13Å; V219-F257 HydrophobicContact CG1-CG 4.44Å; V219-F257 HydrophobicContact CG1-CZ 3.84Å; E220-F257 HydrophobicContact CB-CD1 4.37Å; E220-F257 HydrophobicContact CB-CE1 4.26Å; L223-F257 HydrophobicContact CD1-CB 3.86Å; L223-F257 HydrophobicContact CD1-CD1 4.27Å; L223-F257 HydrophobicContact CD1-CG 4.18Å; F251-F257 HydrophobicContact CB-CB 4.23Å; F251-F257 AromaticContact CD1-CD2 3.75Å; F251-F257 HydrophobicContact CD1-CD2 3.75Å; F251-F257 HydrophobicContact CD1-CE2 4.3Å; F251-F257 HydrophobicContact CD1-CG 4.31Å; F251-F257 HydrophobicContact CE1-CD2 4.44Å; A254-F257 HydrophobicContact CB-CD2 3.75Å; A254-F257 HydrophobicContact CB-CE2 4.4Å; A254-F257 PolarHBondContact O-N 3.25Å; P255-F257 VanDerWaalsContact C-N 3.33Å; P255-F257 PolarHBondContact O-N 3Å; F257-N259 VanDerWaalsContact C-N 3.35Å; F257-N259 PolarHBondContact O-N 3.25Å; F257-V260 VanDerWaalsContact O-CG1 3.28Å; F257-V260 WeakPolarHBondContact O-CG1 3.45Å; F257-V260 PolarHBondContact O-N 3.36Å; F257-T261 VanDerWaalsContact O-CB 3.26Å; F257-T261 WeakPolarHBondContact O-CB 3.36Å; F257-T261 PolarHBondContact O-N 3.45Å; F257-T261 PolarHBondContact O-OG1 2.96Å |
| 258 | R | 92.6 | Very high | 93.1 | Very high | 33 Ų | 33 | 33 Ų | 33 | 13% | 0.125 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -50.5 | -49.8 | -171.1 | -178.1 | -172.6 | -60.2 | 177.3 | -2.6 | 113.1 | L252 A254 L262 M318 F339 | L252-R258 HydrophobicContact CD1-CG 4.3Å; A254-R258 PolarHBondContact O-N 2.93Å; R258-L262 WeakPolarHBondContact O-CB 3.41Å; R258-L262 PolarHBondContact O-N 3.5Å; R258-M318 VanDerWaalsContact CD-CE 3.49Å; R258-M318 HydrophobicContact CG-CE 3.69Å; R258-F339 VanDerWaalsContact CD-CE2 3.45Å; R258-F339 HydrophobicContact CG-CD2 3.72Å; R258-F339 HydrophobicContact CG-CE2 3.72Å |
| 259 | N | 94.3 | Very high | 93.2 | Very high | 26 Ų | 26 | 33 Ų | 33 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.1 | -53.2 | -175.5 | -79.6 | -32.7 | 0 | 0 | 0 | 112.2 | F257 T261 L262 Q263 N335 F339 N342 | F257-N259 VanDerWaalsContact C-N 3.35Å; F257-N259 PolarHBondContact O-N 3.25Å; N259-T261 VanDerWaalsContact C-N 3.27Å; N259-T261 PolarHBondContact O-N 2.84Å; N259-L262 PolarHBondContact O-N 3.27Å; N259-Q263 WeakPolarHBondContact O-CG 3.29Å; N259-Q263 PolarHBondContact O-N 2.9Å; N259-N335 PolarHBondContact ND2-O 3.44Å; N259-N335 VanDerWaalsContact ND2-O 3.09Å; N259-F339 WeakPolarHBondContact OD1-CA 3.49Å; N259-F339 WeakPolarHBondContact OD1-CB 3.34Å; N259-F339 PolarHBondContact OD1-N 3.1Å; N259-N342 PolarHBondContact OD1-ND2 3.41Å; N259-N342 VanDerWaalsContact OD1-ND2 3.15Å |
| 260 | V | 95.8 | Very high | 93.3 | Very high | 16 Ų | 16 | 31.5 Ų | 31.5 | 10% | 0.097 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -33.8 | 178.4 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | L223 E224 F257 Q263 C264 | L223-V260 HydrophobicContact CB-CG1 3.83Å; L223-V260 HydrophobicContact CB-CG2 3.89Å; L223-V260 HydrophobicContact CD1-CG1 3.83Å; L223-V260 HydrophobicContact CG-CG1 4.48Å; E224-V260 HydrophobicContact CG-CG2 4.09Å; F257-V260 VanDerWaalsContact O-CG1 3.28Å; F257-V260 WeakPolarHBondContact O-CG1 3.45Å; F257-V260 PolarHBondContact O-N 3.36Å; V260-Q263 PolarHBondContact O-N 3.36Å; V260-C264 PolarHBondContact O-N 3.44Å; V260-C264 PolarHBondContact O-SG 3.04Å |
| 261 | T | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.7 | -45.3 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 111 | L247 F251 L252 F257 N259 Q263 C264 L265 | L247-T261 HydrophobicContact CB-CG2 3.98Å; L247-T261 HydrophobicContact CD2-CG2 4.17Å; L247-T261 VanDerWaalsContact O-CG2 3.25Å; L247-T261 WeakPolarHBondContact O-CG2 3.3Å; F251-T261 HydrophobicContact CB-CG2 3.99Å; F251-T261 VanDerWaalsContact CB-OG1 3.31Å; F251-T261 WeakPolarHBondContact CB-OG1 3.29Å; L252-T261 HydrophobicContact CB-CG2 4.12Å; F257-T261 VanDerWaalsContact O-CB 3.26Å; F257-T261 WeakPolarHBondContact O-CB 3.36Å; F257-T261 PolarHBondContact O-N 3.45Å; F257-T261 PolarHBondContact O-OG1 2.96Å; N259-T261 VanDerWaalsContact C-N 3.27Å; N259-T261 PolarHBondContact O-N 2.84Å; T261-Q263 VanDerWaalsContact C-N 3.31Å; T261-Q263 PolarHBondContact O-N 3.46Å; T261-C264 WeakPolarHBondContact O-CB 3.29Å; T261-C264 PolarHBondContact O-N 3.27Å; T261-L265 HydrophobicContact CG2-CD1 4.27Å; T261-L265 VanDerWaalsContact O-CG 3.32Å; T261-L265 WeakPolarHBondContact O-CG 3.39Å; T261-L265 PolarHBondContact O-N 2.94Å |
| 262 | L | 95.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 178.4 | -171.5 | 56 | 0 | 0 | 0 | 111.3 | L252 R258 N259 L265 T266 F339 N342 L343 F346 | L252-L262 HydrophobicContact CD1-CB 4.3Å; L252-L262 HydrophobicContact CD1-CD1 4.44Å; R258-L262 WeakPolarHBondContact O-CB 3.41Å; R258-L262 PolarHBondContact O-N 3.5Å; N259-L262 PolarHBondContact O-N 3.27Å; L262-L265 PolarHBondContact O-N 2.92Å; L262-T266 PolarHBondContact O-N 3.38Å; L262-T266 PolarHBondContact O-OG1 3.19Å; L262-F339 HydrophobicContact CD2-CD2 3.98Å; L262-F339 HydrophobicContact CD2-CE2 3.83Å; L262-N342 HydrophobicContact CB-CB 4.48Å; L262-N342 HydrophobicContact CD2-CB 3.73Å; L262-N342 HydrophobicContact CG-CB 4.16Å; L262-L343 HydrophobicContact CD2-CB 4.25Å; L262-L343 HydrophobicContact CD2-CD1 4.42Å; L262-F346 HydrophobicContact CD1-CB 3.71Å; L262-F346 HydrophobicContact CD1-CD1 4.25Å; L262-F346 HydrophobicContact CD1-CD2 4.07Å; L262-F346 HydrophobicContact CD1-CG 3.71Å; L262-F346 HydrophobicContact CG-CB 4.19Å |
| 263 | Q | 96.6 | Very high | 92.4 | Very high | 71 Ų | 71 | 35.9 Ų | 35.9 | 33% | 0.332 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 171.7 | -70 | 171.7 | -9.7 | 0 | 0 | 111.9 | L227 N259 V260 T261 L265 T266 E267 N342 | L227-Q263 HydrophobicContact CD1-CB 4.01Å; L227-Q263 HydrophobicContact CD2-CB 4.19Å; N259-Q263 WeakPolarHBondContact O-CG 3.29Å; N259-Q263 PolarHBondContact O-N 2.9Å; V260-Q263 PolarHBondContact O-N 3.36Å; T261-Q263 VanDerWaalsContact C-N 3.31Å; T261-Q263 PolarHBondContact O-N 3.46Å; Q263-L265 VanDerWaalsContact C-N 3.31Å; Q263-L265 PolarHBondContact O-N 3.41Å; Q263-T266 WeakPolarHBondContact O-CB 3.45Å; Q263-T266 PolarHBondContact O-N 3.39Å; Q263-E267 PolarHBondContact O-N 3.45Å; Q263-N342 PolarHBondContact NE2-OD1 3.32Å; Q263-N342 VanDerWaalsContact NE2-OD1 3.15Å |
| 264 | C | 96.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 174.1 | -66.6 | 0 | 0 | 0 | 0 | 111.8 | L230 L247 V260 T261 T266 E267 I268 | L230-C264 HydrophobicContact CD1-CB 3.73Å; L230-C264 WeakPolarHBondContact CD1-O 3.46Å; L247-C264 HydrophobicContact CD1-CB 4.16Å; V260-C264 PolarHBondContact O-N 3.44Å; V260-C264 PolarHBondContact O-SG 3.04Å; T261-C264 WeakPolarHBondContact O-CB 3.29Å; T261-C264 PolarHBondContact O-N 3.27Å; C264-T266 VanDerWaalsContact C-N 3.32Å; C264-T266 PolarHBondContact O-N 2.88Å; C264-E267 PolarHBondContact O-N 3Å; C264-I268 VanDerWaalsContact O-CG1 3.25Å; C264-I268 WeakPolarHBondContact O-CG1 3.45Å; C264-I268 PolarHBondContact O-N 3.48Å |
| 265 | L | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.6 | -33.5 | 178.4 | -65.8 | 173.7 | 0 | 0 | 0 | 112.3 | L247 L252 T261 L262 Q263 I268 A269 L288 V292 F346 | L247-L265 HydrophobicContact CB-CD2 3.85Å; L247-L265 HydrophobicContact CB-CG 4.41Å; L247-L265 HydrophobicContact CD1-CD2 4.34Å; L252-L265 HydrophobicContact CD2-CD1 4.3Å; T261-L265 HydrophobicContact CG2-CD1 4.27Å; T261-L265 VanDerWaalsContact O-CG 3.32Å; T261-L265 WeakPolarHBondContact O-CG 3.39Å; T261-L265 PolarHBondContact O-N 2.94Å; L262-L265 PolarHBondContact O-N 2.92Å; Q263-L265 VanDerWaalsContact C-N 3.31Å; Q263-L265 PolarHBondContact O-N 3.41Å; L265-I268 HydrophobicContact CD2-CD1 4.48Å; L265-A269 PolarHBondContact O-N 3.27Å; L265-L288 HydrophobicContact CD2-CD1 3.85Å; L265-L288 HydrophobicContact CD2-CD2 4.4Å; L265-L288 HydrophobicContact CD2-CG 3.97Å; L265-V292 HydrophobicContact CD1-CG2 3.77Å; L265-F346 HydrophobicContact CB-CD2 4.25Å; L265-F346 HydrophobicContact CB-CE2 4.12Å |
| 266 | T | 96.4 | Very high | 89.6 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 9% | 0.092 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -48.4 | 172 | -56.4 | 0 | 0 | 0 | 0 | 111 | L262 Q263 C264 I268 A269 A270 L345 F346 T349 | L262-T266 PolarHBondContact O-N 3.38Å; L262-T266 PolarHBondContact O-OG1 3.19Å; Q263-T266 WeakPolarHBondContact O-CB 3.45Å; Q263-T266 PolarHBondContact O-N 3.39Å; C264-T266 VanDerWaalsContact C-N 3.32Å; C264-T266 PolarHBondContact O-N 2.88Å; T266-I268 VanDerWaalsContact C-N 3.32Å; T266-I268 PolarHBondContact O-N 2.93Å; T266-A269 WeakPolarHBondContact O-CB 3.34Å; T266-A269 PolarHBondContact O-N 3.13Å; T266-A269 VanDerWaalsContact O-N 3.11Å; T266-A270 PolarHBondContact O-N 3.41Å; T266-A270 VanDerWaalsContact O-N 3.17Å; T266-L345 HydrophobicContact CG2-CB 4.46Å; T266-F346 WeakPolarHBondContact OG1-CA 3.23Å; T266-F346 WeakPolarHBondContact OG1-CB 3.5Å; T266-T349 HydrophobicContact CG2-CG2 4.21Å |
| 267 | E | 94.9 | Very high | 88.3 | Confident | 69 Ų | 69 | 40.1 Ų | 40.1 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61 | -42.5 | 177 | -63.5 | -52.5 | 152.9 | 0 | 0 | 111.2 | L227 L230 N231 Q263 C264 A269 A270 V271 | L227-E267 HydrophobicContact CD1-CG 3.55Å; L230-E267 HydrophobicContact CB-CB 4.02Å; L230-E267 HydrophobicContact CD1-CB 4.08Å; N231-E267 PolarHBondContact OD1-OE2 3.17Å; Q263-E267 PolarHBondContact O-N 3.45Å; C264-E267 PolarHBondContact O-N 3Å; E267-A269 VanDerWaalsContact C-N 3.28Å; E267-A269 PolarHBondContact O-N 3.49Å; E267-A270 PolarHBondContact O-N 3.02Å; E267-A270 VanDerWaalsContact O-N 3.07Å; E267-V271 WeakPolarHBondContact O-CG2 3.45Å; E267-V271 PolarHBondContact O-N 3.32Å |
| 268 | I | 95.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -39.3 | 175.1 | -69.4 | 166.1 | 0 | 0 | 0 | 111.5 | L230 I238 F239 I244 L247 C264 L265 T266 A270 V271 L285 L288 | L230-I268 HydrophobicContact CD1-CD1 4.33Å; L230-I268 HydrophobicContact CD1-CG1 4.02Å; L230-I268 HydrophobicContact CD2-CD1 4.14Å; L230-I268 HydrophobicContact CD2-CG1 3.72Å; L230-I268 HydrophobicContact CG-CG1 4.47Å; I238-I268 HydrophobicContact CG2-CB 4.42Å; I238-I268 HydrophobicContact CG2-CD1 4.18Å; I238-I268 HydrophobicContact CG2-CG1 3.85Å; I238-I268 HydrophobicContact CG2-CG2 3.8Å; F239-I268 HydrophobicContact CE1-CG2 4.21Å; F239-I268 HydrophobicContact CZ-CG2 4.39Å; I244-I268 HydrophobicContact CD1-CG2 4.18Å; I244-I268 HydrophobicContact CG1-CD1 4.41Å; I244-I268 HydrophobicContact CG1-CG2 4.28Å; L247-I268 HydrophobicContact CD1-CD1 3.75Å; C264-I268 VanDerWaalsContact O-CG1 3.25Å; C264-I268 WeakPolarHBondContact O-CG1 3.45Å; C264-I268 PolarHBondContact O-N 3.48Å; L265-I268 HydrophobicContact CD2-CD1 4.48Å; T266-I268 VanDerWaalsContact C-N 3.32Å; T266-I268 PolarHBondContact O-N 2.93Å; I268-A270 VanDerWaalsContact C-N 3.28Å; I268-A270 PolarHBondContact O-N 2.95Å; I268-V271 PolarHBondContact O-N 3.42Å; I268-L285 HydrophobicContact CG2-CD2 4.23Å; I268-L288 HydrophobicContact CB-CD1 4.27Å; I268-L288 HydrophobicContact CG2-CD1 3.63Å |
| 269 | A | 93.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L265 T266 E267 T349 F350 R354 | L265-A269 PolarHBondContact O-N 3.27Å; T266-A269 WeakPolarHBondContact O-CB 3.34Å; T266-A269 PolarHBondContact O-N 3.13Å; T266-A269 VanDerWaalsContact O-N 3.11Å; E267-A269 VanDerWaalsContact C-N 3.28Å; E267-A269 PolarHBondContact O-N 3.49Å; A269-T349 HydrophobicContact CB-CG2 4.45Å; A269-F350 HydrophobicContact CB-CB 4.13Å; A269-F350 HydrophobicContact CB-CD2 3.68Å; A269-F350 HydrophobicContact CB-CG 4.35Å; A269-R354 PolarHBondContact O-NE 2.85Å; A269-R354 PolarHBondContact O-NH2 2.97Å |
| 270 | A | 92.4 | Very high | 86.1 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -81 | -13.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T266 E267 I268 L272 T349 | T266-A270 PolarHBondContact O-N 3.41Å; T266-A270 VanDerWaalsContact O-N 3.17Å; E267-A270 PolarHBondContact O-N 3.02Å; E267-A270 VanDerWaalsContact O-N 3.07Å; I268-A270 VanDerWaalsContact C-N 3.28Å; I268-A270 PolarHBondContact O-N 2.95Å; A270-L272 PolarHBondContact O-N 3.18Å; A270-T349 HydrophobicContact CB-CG2 3.8Å |
| 271 | V | 89.9 | Confident | 85.8 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 121.5 | -174.5 | 172.4 | 0 | 0 | 0 | 0 | 113.2 | V235 I238 F239 E267 I268 L273 R354 | V235-V271 HydrophobicContact CG1-CG1 3.55Å; I238-V271 HydrophobicContact CD1-CG2 3.99Å; F239-V271 HydrophobicContact CE2-CG1 4.22Å; E267-V271 WeakPolarHBondContact O-CG2 3.45Å; E267-V271 PolarHBondContact O-N 3.32Å; I268-V271 PolarHBondContact O-N 3.42Å; V271-L273 HydrophobicContact CG1-CD2 4.42Å; V271-L273 PolarHBondContact O-N 3.24Å; V271-R354 PolarHBondContact O-NH2 3.46Å |
| 272 | L | 83.2 | Confident | 85.4 | Confident | 153 Ų | 153 | 53.6 Ų | 53.6 | 80% | 0.801 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 118.8 | 173.5 | -66.2 | 172.7 | 0 | 0 | 0 | 111.2 | A270 | A270-L272 PolarHBondContact O-N 3.18Š|
| 273 | L | 81.6 | Confident | 85.2 | Confident | 28 Ų | 28 | 61 Ų | 61 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 134.4 | -176.3 | -60.8 | -179.4 | 0 | 0 | 0 | 111.4 | F239 V271 V275 T278 Y281 L285 | F239-L273 HydrophobicContact CD2-CD2 4.26Å; F239-L273 HydrophobicContact CE2-CD2 3.45Å; F239-L273 VanDerWaalsContact CE2-CD2 3.45Å; F239-L273 HydrophobicContact CZ-CD2 3.69Å; V271-L273 HydrophobicContact CG1-CD2 4.42Å; V271-L273 PolarHBondContact O-N 3.24Å; L273-V275 PolarHBondContact O-N 3.33Å; L273-T278 HydrophobicContact CD1-CG2 4.21Å; L273-Y281 HydrophobicContact CD2-CD2 4.14Å; L273-L285 HydrophobicContact CD1-CD1 3.92Å |
| 274 | P | 75.1 | Confident | 85 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 38% | 0.377 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 133 | 172.8 | 27.9 | -33 | 0 | 0 | 0 | 110.9 | V235 P276 A277 | V235-P274 HydrophobicContact CG2-CG 4.04Å; P274-P276 VanDerWaalsContact C-N 3.32Å; P274-P276 WeakPolarHBondContact O-CD 3.23Å; P274-P276 VanDerWaalsContact O-N 3.11Å; P274-A277 PolarHBondContact O-N 2.99Å |
| 275 | V | 69.5 | Low | 84.8 | Confident | 132 Ų | 132 | 60.4 Ų | 60.4 | 80% | 0.8 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -48.5 | -34.9 | -175.7 | -174.3 | 0 | 0 | 0 | 0 | 115.6 | L273 A277 T278 | L273-V275 PolarHBondContact O-N 3.33Å; V275-A277 PolarHBondContact O-N 2.87Å; V275-T278 PolarHBondContact O-OG1 3.33Å |
| 276 | P | 61.5 | Low | 84.7 | Confident | 127 Ų | 127 | 61.1 Ų | 61.1 | 83% | 0.825 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -75.2 | -20 | -175.9 | -17.5 | 31.5 | 0 | 0 | 0 | 115.8 | P274 | P274-P276 VanDerWaalsContact C-N 3.32Å; P274-P276 WeakPolarHBondContact O-CD 3.23Å; P274-P276 VanDerWaalsContact O-N 3.11Å |
| 277 | A | 62.2 | Low | 84.5 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 26% | 0.256 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -113.3 | 6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P274 V275 K279 V280 Y281 | P274-A277 PolarHBondContact O-N 2.99Å; V275-A277 PolarHBondContact O-N 2.87Å; A277-K279 PolarHBondContact O-N 3.01Å; A277-V280 PolarHBondContact O-N 3.25Å; A277-Y281 HydrophobicContact CB-CD2 3.93Å; A277-Y281 HydrophobicContact CB-CE2 3.43Å; A277-Y281 VanDerWaalsContact CB-CE2 3.43Å |
| 278 | T | 71.5 | Confident | 84.4 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -54.8 | -45 | -163.8 | -31.6 | 0 | 0 | 0 | 0 | 112.9 | L273 V275 V280 Y281 D282 | L273-T278 HydrophobicContact CD1-CG2 4.21Å; V275-T278 PolarHBondContact O-OG1 3.33Å; T278-V280 PolarHBondContact O-N 3.32Å; T278-Y281 PolarHBondContact O-N 2.77Å; T278-D282 WeakPolarHBondContact O-CB 3.39Å; T278-D282 PolarHBondContact O-N 3.44Å; T278-D282 VanDerWaalsContact O-OD2 3.14Å |
| 279 | K | 79.3 | Confident | 84.3 | Confident | 185 Ų | 185 | 60.1 Ų | 60.1 | 80% | 0.804 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.3 | -36.5 | -173.5 | -69.3 | -171.3 | 178.8 | -177 | 0 | 115.6 | A277 R283 | A277-K279 PolarHBondContact O-N 3.01Å; K279-R283 PolarHBondContact O-N 2.99Å |
| 280 | V | 83.3 | Confident | 84.3 | Confident | 98 Ų | 98 | 61.2 Ų | 61.2 | 59% | 0.594 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -74.1 | -41.1 | -179.5 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | A277 T278 R283 Q284 | A277-V280 PolarHBondContact O-N 3.25Å; T278-V280 PolarHBondContact O-N 3.32Å; V280-R283 PolarHBondContact O-N 3.21Å; V280-Q284 PolarHBondContact O-N 2.96Å |
| 281 | Y | 90.4 | Very high | 84.3 | Confident | 16 Ų | 16 | 61 Ų | 61 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.7 | -34.3 | 179.4 | -56.5 | -21.5 | 0 | 0 | 0 | 111.7 | V235 F239 E240 L273 A277 T278 R283 Q284 L285 | V235-Y281 HydrophobicContact CG2-CE2 3.89Å; F239-Y281 HydrophobicContact CB-CD1 3.25Å; F239-Y281 HydrophobicContact CB-CE1 3.56Å; F239-Y281 HydrophobicContact CB-CG 3.87Å; F239-Y281 HydrophobicContact CD1-CG 4.49Å; F239-Y281 HydrophobicContact CD2-CD1 4.15Å; F239-Y281 HydrophobicContact CD2-CD2 4.11Å; F239-Y281 HydrophobicContact CD2-CE2 4.48Å; F239-Y281 AromaticContact CD2-CG 3.92Å; F239-Y281 HydrophobicContact CD2-CG 3.92Å; F239-Y281 AromaticContact CG-CD1 3.77Å; F239-Y281 HydrophobicContact CG-CD1 3.77Å; F239-Y281 HydrophobicContact CG-CD2 4.49Å; F239-Y281 HydrophobicContact CG-CE1 4.35Å; F239-Y281 AromaticContact CG-CG 3.84Å; F239-Y281 HydrophobicContact CG-CG 3.84Å; E240-Y281 HydrophobicContact CG-CE1 3.87Å; E240-Y281 PolarHBondContact OE1-OH 2.74Å; L273-Y281 HydrophobicContact CD2-CD2 4.14Å; A277-Y281 HydrophobicContact CB-CD2 3.93Å; A277-Y281 HydrophobicContact CB-CE2 3.43Å; A277-Y281 VanDerWaalsContact CB-CE2 3.43Å; T278-Y281 PolarHBondContact O-N 2.77Å; Y281-R283 VanDerWaalsContact C-N 3.28Å; Y281-R283 PolarHBondContact O-N 2.95Å; Y281-Q284 WeakPolarHBondContact O-CB 3.48Å; Y281-Q284 PolarHBondContact O-N 3.41Å; Y281-L285 WeakPolarHBondContact O-CG 3.14Å; Y281-L285 PolarHBondContact O-N 2.89Å |
| 282 | D | 88.9 | Confident | 84.3 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 20% | 0.198 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.8 | -41.6 | 172.1 | -70.2 | -20.9 | 0 | 0 | 0 | 111.8 | T278 Q284 L285 T286 L357 | T278-D282 WeakPolarHBondContact O-CB 3.39Å; T278-D282 PolarHBondContact O-N 3.44Å; T278-D282 VanDerWaalsContact O-OD2 3.14Å; D282-Q284 PolarHBondContact O-N 2.95Å; D282-L285 PolarHBondContact O-N 3.47Å; D282-T286 WeakPolarHBondContact O-CB 3.35Å; D282-T286 PolarHBondContact O-N 3.2Å; D282-T286 PolarHBondContact O-OG1 3.45Å; D282-L357 HydrophobicContact CB-CD1 4.17Å; D282-L357 HydrophobicContact CB-CD2 3.7Å |
| 283 | R | 90.5 | Very high | 84.6 | Confident | 158 Ų | 158 | 53 Ų | 53 | 60% | 0.596 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 175.1 | -175.8 | -179.1 | 176.3 | 118.2 | 6.3 | 111.5 | K279 V280 Y281 T286 L287 | K279-R283 PolarHBondContact O-N 2.99Å; V280-R283 PolarHBondContact O-N 3.21Å; Y281-R283 VanDerWaalsContact C-N 3.28Å; Y281-R283 PolarHBondContact O-N 2.95Å; R283-T286 PolarHBondContact O-N 3.22Å; R283-L287 HydrophobicContact CG-CD1 4.48Å; R283-L287 WeakPolarHBondContact O-CG 3.44Å; R283-L287 PolarHBondContact O-N 3.2Å |
| 284 | Q | 92.2 | Very high | 84.8 | Confident | 58 Ų | 58 | 56 Ų | 56 | 27% | 0.271 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 177.9 | -66.1 | -66.7 | -6.6 | 0 | 0 | 111.9 | F239 I244 V280 Y281 D282 T286 L287 L288 | F239-Q284 HydrophobicContact CD1-CB 3.99Å; I244-Q284 HydrophobicContact CD1-CB 4.02Å; V280-Q284 PolarHBondContact O-N 2.96Å; Y281-Q284 WeakPolarHBondContact O-CB 3.48Å; Y281-Q284 PolarHBondContact O-N 3.41Å; D282-Q284 PolarHBondContact O-N 2.95Å; Q284-T286 VanDerWaalsContact C-N 3.34Å; Q284-L287 PolarHBondContact O-N 3.44Å; Q284-L288 WeakPolarHBondContact O-CB 3.16Å; Q284-L288 PolarHBondContact O-N 3.46Å |
| 285 | L | 93.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 174.4 | -71.8 | 171.5 | 0 | 0 | 0 | 112.1 | F239 I268 L273 Y281 D282 L288 F289 F350 R354 L357 | F239-L285 HydrophobicContact CE1-CD1 4.36Å; F239-L285 HydrophobicContact CE1-CD2 3.74Å; F239-L285 HydrophobicContact CE1-CG 3.78Å; F239-L285 HydrophobicContact CZ-CD2 4.21Å; F239-L285 HydrophobicContact CZ-CG 4.39Å; I268-L285 HydrophobicContact CG2-CD2 4.23Å; L273-L285 HydrophobicContact CD1-CD1 3.92Å; Y281-L285 WeakPolarHBondContact O-CG 3.14Å; Y281-L285 PolarHBondContact O-N 2.89Å; D282-L285 PolarHBondContact O-N 3.47Å; L285-L288 WeakPolarHBondContact O-CB 3.44Å; L285-L288 PolarHBondContact O-N 2.91Å; L285-F289 PolarHBondContact O-N 3.06Å; L285-F350 HydrophobicContact CB-CE2 4.34Å; L285-F350 HydrophobicContact CB-CZ 4.43Å; L285-F350 WeakPolarHBondContact O-CE2 3.32Å; L285-F350 WeakPolarHBondContact O-CZ 3.29Å; L285-R354 HydrophobicContact CD1-CG 4.43Å; L285-L357 HydrophobicContact CB-CD1 3.89Å; L285-L357 HydrophobicContact CD1-CD1 4.29Å |
| 286 | T | 92.9 | Very high | 85.9 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 9% | 0.092 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 173.8 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | D282 R283 Q284 L288 F289 L290 I371 | D282-T286 WeakPolarHBondContact O-CB 3.35Å; D282-T286 PolarHBondContact O-N 3.2Å; D282-T286 PolarHBondContact O-OG1 3.45Å; R283-T286 PolarHBondContact O-N 3.22Å; Q284-T286 VanDerWaalsContact C-N 3.34Å; T286-L288 VanDerWaalsContact C-N 3.35Å; T286-L288 PolarHBondContact O-N 3.19Å; T286-F289 PolarHBondContact O-N 2.87Å; T286-L290 HydrophobicContact CG2-CD1 4.17Å; T286-L290 WeakPolarHBondContact O-CB 3.2Å; T286-L290 VanDerWaalsContact O-CG 3.31Å; T286-L290 WeakPolarHBondContact O-CG 3.44Å; T286-L290 PolarHBondContact O-N 3.22Å; T286-I371 HydrophobicContact CG2-CD1 3.51Å; T286-I371 HydrophobicContact CG2-CG1 3.75Å |
| 287 | L | 92.5 | Very high | 86.3 | Confident | 62 Ų | 62 | 45.6 Ų | 45.6 | 33% | 0.325 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.1 | -39.2 | 175.7 | -71.2 | 173 | 0 | 0 | 0 | 112.4 | R283 Q284 L290 N291 | R283-L287 HydrophobicContact CG-CD1 4.48Å; R283-L287 WeakPolarHBondContact O-CG 3.44Å; R283-L287 PolarHBondContact O-N 3.2Å; Q284-L287 PolarHBondContact O-N 3.44Å; L287-L290 PolarHBondContact O-N 3.09Å; L287-N291 WeakPolarHBondContact O-CB 3.05Å; L287-N291 PolarHBondContact O-N 3.44Å; L287-N291 PolarHBondContact O-ND2 3.36Å |
| 288 | L | 93.6 | Very high | 86 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.2 | -53.2 | 173.4 | -174.7 | 163.4 | 0 | 0 | 0 | 110.4 | I244 L265 I268 Q284 L285 T286 N291 V292 F346 F350 | I244-L288 HydrophobicContact CG1-CD1 4.46Å; I244-L288 HydrophobicContact CG2-CB 3.69Å; I244-L288 HydrophobicContact CG2-CD1 3.97Å; I244-L288 HydrophobicContact CG2-CG 3.98Å; L265-L288 HydrophobicContact CD2-CD1 3.85Å; L265-L288 HydrophobicContact CD2-CD2 4.4Å; L265-L288 HydrophobicContact CD2-CG 3.97Å; I268-L288 HydrophobicContact CB-CD1 4.27Å; I268-L288 HydrophobicContact CG2-CD1 3.63Å; Q284-L288 WeakPolarHBondContact O-CB 3.16Å; Q284-L288 PolarHBondContact O-N 3.46Å; L285-L288 WeakPolarHBondContact O-CB 3.44Å; L285-L288 PolarHBondContact O-N 2.91Å; T286-L288 VanDerWaalsContact C-N 3.35Å; T286-L288 PolarHBondContact O-N 3.19Å; L288-N291 PolarHBondContact O-N 2.78Å; L288-V292 HydrophobicContact CD2-CG2 4.11Å; L288-V292 WeakPolarHBondContact O-CG2 3.28Å; L288-V292 PolarHBondContact O-N 3.36Å; L288-F346 HydrophobicContact CD2-CE2 3.58Å; L288-F346 HydrophobicContact CD2-CZ 3.55Å; L288-F350 HydrophobicContact CD2-CD2 4.48Å; L288-F350 HydrophobicContact CD2-CE2 4.4Å |
| 289 | F | 94 | Very high | 84.5 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | -178.8 | -176.3 | -102.5 | 0 | 0 | 0 | 112.7 | L285 T286 V292 T293 F346 F347 F350 L351 V358 A374 A378 | L285-F289 PolarHBondContact O-N 3.06Å; T286-F289 PolarHBondContact O-N 2.87Å; F289-V292 PolarHBondContact O-N 2.71Å; F289-T293 HydrophobicContact CD1-CG2 4.44Å; F289-T293 HydrophobicContact CE1-CG2 4.14Å; F289-T293 HydrophobicContact CE2-CG2 4.28Å; F289-T293 HydrophobicContact CZ-CG2 4.06Å; F289-T293 WeakPolarHBondContact O-CB 3.44Å; F289-T293 WeakPolarHBondContact O-CG2 3.49Å; F289-T293 PolarHBondContact O-N 3.08Å; F289-T293 PolarHBondContact O-OG1 3.12Å; F289-F346 HydrophobicContact CD2-CE1 4.41Å; F289-F346 HydrophobicContact CD2-CZ 4.49Å; F289-F347 HydrophobicContact CE2-CD1 4.03Å; F289-F347 HydrophobicContact CE2-CE1 4.05Å; F289-F350 HydrophobicContact CB-CD1 4.42Å; F289-F350 HydrophobicContact CB-CD2 4.47Å; F289-F350 HydrophobicContact CB-CE1 3.79Å; F289-F350 HydrophobicContact CB-CE2 3.85Å; F289-F350 HydrophobicContact CB-CZ 3.49Å; F289-F350 VanDerWaalsContact CB-CZ 3.49Å; F289-F350 AromaticContact CD2-CD1 3.44Å; F289-F350 HydrophobicContact CD2-CD1 3.44Å; F289-F350 VanDerWaalsContact CD2-CD1 3.44Å; F289-F350 HydrophobicContact CD2-CD2 4.28Å; F289-F350 AromaticContact CD2-CE1 3.58Å; F289-F350 HydrophobicContact CD2-CE1 3.58Å; F289-F350 HydrophobicContact CD2-CE2 4.39Å; F289-F350 AromaticContact CD2-CG 3.85Å; F289-F350 HydrophobicContact CD2-CG 3.85Å; F289-F350 HydrophobicContact CD2-CZ 4.09Å; F289-F350 AromaticContact CE2-CD1 3.88Å; F289-F350 HydrophobicContact CE2-CD1 3.88Å; F289-F350 HydrophobicContact CE2-CE1 4.27Å; F289-F350 HydrophobicContact CE2-CG 4.46Å; F289-F350 HydrophobicContact CG-CD1 4.09Å; F289-F350 AromaticContact CG-CE1 3.73Å; F289-F350 HydrophobicContact CG-CE1 3.73Å; F289-F350 AromaticContact CG-CZ 3.98Å; F289-F350 HydrophobicContact CG-CZ 3.98Å; F289-L351 HydrophobicContact CE2-CD2 4.29Å; F289-L351 HydrophobicContact CZ-CD2 4.29Å; F289-V358 HydrophobicContact CD1-CG1 3.68Å; F289-V358 HydrophobicContact CE1-CB 4.45Å; F289-V358 HydrophobicContact CE1-CG1 3.66Å; F289-V358 HydrophobicContact CG-CG1 4.19Å; F289-V358 HydrophobicContact CZ-CG1 4.15Å; F289-A374 HydrophobicContact CD1-CB 4.09Å; F289-A374 HydrophobicContact CE1-CB 3.71Å; F289-A378 HydrophobicContact CE2-CB 3.98Å; F289-A378 HydrophobicContact CZ-CB 3.61Å |
| 290 | L | 93.3 | Very high | 82.3 | Confident | 22 Ų | 22 | 43.9 Ų | 43.9 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 174.8 | -71.8 | 175.8 | 0 | 0 | 0 | 111.4 | T286 L287 T293 Q294 E370 I371 A374 | T286-L290 HydrophobicContact CG2-CD1 4.17Å; T286-L290 WeakPolarHBondContact O-CB 3.2Å; T286-L290 VanDerWaalsContact O-CG 3.31Å; T286-L290 WeakPolarHBondContact O-CG 3.44Å; T286-L290 PolarHBondContact O-N 3.22Å; L287-L290 PolarHBondContact O-N 3.09Å; L290-T293 PolarHBondContact O-N 3.28Å; L290-T293 PolarHBondContact O-OG1 2.76Å; L290-Q294 WeakPolarHBondContact O-CB 3.19Å; L290-Q294 PolarHBondContact O-N 3.05Å; L290-E370 HydrophobicContact CD2-CB 4.49Å; L290-I371 HydrophobicContact CD1-CG1 4.14Å; L290-I371 HydrophobicContact CD2-CG1 4.17Å; L290-I371 HydrophobicContact CG-CG1 4.44Å; L290-A374 HydrophobicContact CD2-CB 3.75Å |
| 291 | N | 91.3 | Very high | 80 | Confident | 33 Ų | 33 | 46.7 Ų | 46.7 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -48.5 | 178.6 | -72.2 | -14.1 | 0 | 0 | 0 | 111.4 | S248 L287 L288 T293 Q294 Q295 | S248-N291 PolarHBondContact OG-ND2 2.98Å; L287-N291 WeakPolarHBondContact O-CB 3.05Å; L287-N291 PolarHBondContact O-N 3.44Å; L287-N291 PolarHBondContact O-ND2 3.36Å; L288-N291 PolarHBondContact O-N 2.78Å; N291-T293 PolarHBondContact O-N 3.23Å; N291-Q294 PolarHBondContact O-N 3.29Å; N291-Q295 VanDerWaalsContact O-CG 3.31Å; N291-Q295 WeakPolarHBondContact O-CG 3.25Å; N291-Q295 PolarHBondContact O-N 2.49Å |
| 292 | V | 91.3 | Very high | 77.1 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 179.1 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | L252 L265 L288 F289 Q294 Q295 L296 F346 | L252-V292 HydrophobicContact CD2-CB 4.37Å; L252-V292 HydrophobicContact CD2-CG1 4.34Å; L252-V292 HydrophobicContact CD2-CG2 3.96Å; L265-V292 HydrophobicContact CD1-CG2 3.77Å; L288-V292 HydrophobicContact CD2-CG2 4.11Å; L288-V292 WeakPolarHBondContact O-CG2 3.28Å; L288-V292 PolarHBondContact O-N 3.36Å; F289-V292 PolarHBondContact O-N 2.71Å; V292-Q294 VanDerWaalsContact C-N 3.32Å; V292-Q294 PolarHBondContact O-N 2.94Å; V292-Q295 PolarHBondContact O-N 3.28Å; V292-L296 HydrophobicContact CG1-CD1 4.14Å; V292-L296 WeakPolarHBondContact O-CG 3.37Å; V292-L296 PolarHBondContact O-N 3.01Å; V292-L296 VanDerWaalsContact O-N 3.14Å; V292-F346 HydrophobicContact CB-CE1 3.94Å; V292-F346 HydrophobicContact CB-CZ 4.1Å; V292-F346 HydrophobicContact CG1-CD1 3.98Å; V292-F346 HydrophobicContact CG1-CE1 3.53Å; V292-F346 HydrophobicContact CG1-CZ 4.12Å; V292-F346 HydrophobicContact CG2-CE1 4.16Å; V292-F346 HydrophobicContact CG2-CE2 4.46Å; V292-F346 HydrophobicContact CG2-CZ 3.88Å |
| 293 | T | 88.7 | Confident | 74.6 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 179.2 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | F289 L290 N291 L296 K297 F347 A374 | F289-T293 HydrophobicContact CD1-CG2 4.44Å; F289-T293 HydrophobicContact CE1-CG2 4.14Å; F289-T293 HydrophobicContact CE2-CG2 4.28Å; F289-T293 HydrophobicContact CZ-CG2 4.06Å; F289-T293 WeakPolarHBondContact O-CB 3.44Å; F289-T293 WeakPolarHBondContact O-CG2 3.49Å; F289-T293 PolarHBondContact O-N 3.08Å; F289-T293 PolarHBondContact O-OG1 3.12Å; L290-T293 PolarHBondContact O-N 3.28Å; L290-T293 PolarHBondContact O-OG1 2.76Å; N291-T293 PolarHBondContact O-N 3.23Å; T293-L296 PolarHBondContact O-N 3.45Å; T293-K297 VanDerWaalsContact O-CG 3.31Å; T293-K297 WeakPolarHBondContact O-CG 3.43Å; T293-K297 PolarHBondContact O-N 3.21Å; T293-F347 HydrophobicContact CG2-CE1 3.91Å; T293-F347 HydrophobicContact CG2-CZ 4.23Å; T293-A374 HydrophobicContact CG2-CB 4.17Å; T293-A374 WeakPolarHBondContact OG1-CB 3.35Å |
| 294 | Q | 86.5 | Confident | 71.7 | Confident | 91 Ų | 91 | 56.6 Ų | 56.6 | 43% | 0.425 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 175.8 | -173.6 | 176.7 | 8.2 | 0 | 0 | 112.2 | L290 N291 V292 L296 K297 G298 | L290-Q294 WeakPolarHBondContact O-CB 3.19Å; L290-Q294 PolarHBondContact O-N 3.05Å; N291-Q294 PolarHBondContact O-N 3.29Å; V292-Q294 VanDerWaalsContact C-N 3.32Å; V292-Q294 PolarHBondContact O-N 2.94Å; Q294-L296 PolarHBondContact O-N 2.87Å; Q294-K297 PolarHBondContact O-N 2.58Å; Q294-G298 PolarHBondContact O-N 2.56Å |
| 295 | Q | 84.1 | Confident | 68.9 | Low | 57 Ų | 57 | 62.1 Ų | 62.1 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62 | -34.1 | 176.5 | -65.4 | -54.8 | -21.1 | 0 | 0 | 111.8 | L252 V253 N291 V292 M318 | L252-Q295 HydrophobicContact CD2-CB 4.32Å; L252-Q295 HydrophobicContact CD2-CG 4.38Å; V253-Q295 HydrophobicContact CG2-CG 4.09Å; N291-Q295 VanDerWaalsContact O-CG 3.31Å; N291-Q295 WeakPolarHBondContact O-CG 3.25Å; N291-Q295 PolarHBondContact O-N 2.49Å; V292-Q295 PolarHBondContact O-N 3.28Å; Q295-M318 HydrophobicContact CB-SD 4.17Å |
| 296 | L | 81.7 | Confident | 66 | Low | 5 Ų | 5 | 72.7 Ų | 72.7 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.2 | -45.2 | 175.1 | -67.4 | 167.5 | 0 | 0 | 0 | 112.8 | V292 T293 Q294 G298 M318 F339 L343 F347 Y381 | V292-L296 HydrophobicContact CG1-CD1 4.14Å; V292-L296 WeakPolarHBondContact O-CG 3.37Å; V292-L296 PolarHBondContact O-N 3.01Å; V292-L296 VanDerWaalsContact O-N 3.14Å; T293-L296 PolarHBondContact O-N 3.45Å; Q294-L296 PolarHBondContact O-N 2.87Å; L296-G298 VanDerWaalsContact C-N 3.28Å; L296-G298 PolarHBondContact O-N 3.02Å; L296-M318 HydrophobicContact CD2-CB 4.2Å; L296-F339 HydrophobicContact CD2-CZ 3.85Å; L296-L343 HydrophobicContact CD1-CD1 3.72Å; L296-L343 HydrophobicContact CD1-CD2 4.42Å; L296-L343 HydrophobicContact CD2-CD1 4.43Å; L296-L343 HydrophobicContact CD2-CD2 4.37Å; L296-F347 HydrophobicContact CD1-CE2 4.06Å; L296-F347 HydrophobicContact CD1-CZ 3.62Å; L296-Y381 HydrophobicContact CB-CE2 4.3Å; L296-Y381 HydrophobicContact CD1-CE2 4.48Å |
| 297 | K | 70.2 | Confident | 63.1 | Low | 36 Ų | 36 | 77.5 Ų | 77.5 | 16% | 0.157 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.1 | -28.9 | -176.3 | -75.3 | 176.4 | -163.6 | -174.1 | 0 | 113.8 | T293 Q294 V299 Y377 | T293-K297 VanDerWaalsContact O-CG 3.31Å; T293-K297 WeakPolarHBondContact O-CG 3.43Å; T293-K297 PolarHBondContact O-N 3.21Å; Q294-K297 PolarHBondContact O-N 2.58Å; K297-V299 HydrophobicContact CB-CB 4.44Å; K297-V299 HydrophobicContact CB-CG2 3.96Å; K297-V299 PolarHBondContact O-N 2.73Å; K297-Y377 HydrophobicContact CD-CD2 4.1Å; K297-Y377 HydrophobicContact CD-CE2 4.05Å; K297-Y377 HydrophobicContact CD-CG 4.34Å; K297-Y377 HydrophobicContact CG-CD1 4.45Å |
| 298 | G | 55.9 | Low | 60.1 | Low | 52 Ų | 52 | 86.1 Ų | 86.1 | 54% | 0.536 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 23.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q294 L296 | Q294-G298 PolarHBondContact O-N 2.56Å; L296-G298 VanDerWaalsContact C-N 3.28Å; L296-G298 PolarHBondContact O-N 3.02Å |
| 299 | V | 40.4 | Very low | 57.3 | Low | 71 Ų | 71 | 92 Ų | 92 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | trans | -94.9 | 101.9 | -175.4 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | K297 H301 | K297-V299 HydrophobicContact CB-CB 4.44Å; K297-V299 HydrophobicContact CB-CG2 3.96Å; K297-V299 PolarHBondContact O-N 2.73Å; V299-H301 VanDerWaalsContact C-N 3.28Å; V299-H301 HydrophobicContact CG1-CB 4.34Å; V299-H301 WeakPolarHBondContact CG1-CD2 3.17Å; V299-H301 PolarHBondContact O-N 3.37Å | ||
| 300 | S | 32.6 | Very low | 54.3 | Low | 106 Ų | 106 | 99.1 Ų | 99.1 | 74% | 0.741 | 51% | 0.512 | S | S | * | . | trans | -70 | 82.8 | 161.3 | -69.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 301 | H | 35.6 | Very low | 51.3 | Low | 156 Ų | 156 | 105.3 Ų | 105.3 | 72% | 0.722 | 55% | 0.546 | S | S | * | . | trans | -99.5 | 115.5 | 155.3 | -91.3 | -63.9 | 0 | 0 | 0 | 108.9 | V299 I303 | V299-H301 VanDerWaalsContact C-N 3.28Å; V299-H301 HydrophobicContact CG1-CB 4.34Å; V299-H301 WeakPolarHBondContact CG1-CD2 3.17Å; V299-H301 PolarHBondContact O-N 3.37Å; H301-I303 PolarHBondContact O-N 3.3Å | ||
| 302 | H | 30.2 | Very low | 48.3 | Very low | 188 Ų | 188 | 111.1 Ų | 111.1 | 87% | 0.87 | 58% | 0.577 | S | S | * | * | trans | -43.1 | 98.4 | 168.8 | -101.1 | -92.5 | 0 | 0 | 0 | 111.4 | S304 | H302-S304 PolarHBondContact O-N 2.99Š| ||
| 303 | I | 36.3 | Very low | 45.4 | Very low | 124 Ų | 124 | 117 Ų | 117 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | trans | -86.3 | 104.5 | 155 | -65.7 | 175.7 | 0 | 0 | 0 | 106.2 | H301 F305 | H301-I303 PolarHBondContact O-N 3.3Å; I303-F305 VanDerWaalsContact C-N 3.32Å; I303-F305 PolarHBondContact O-N 2.89Å | ||
| 304 | S | 30.2 | Very low | 42.6 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | trans | -72.3 | 81 | 173.4 | 54.1 | 0 | 0 | 0 | 0 | 110.6 | H302 | H302-S304 PolarHBondContact O-N 2.99Š| ||
| 305 | F | 31.7 | Very low | 40 | Very low | 174 Ų | 174 | 124.9 Ų | 124.9 | 76% | 0.763 | 66% | 0.661 | S | S | * | * | trans | -157.5 | 121.7 | 151.6 | -151.3 | -109.8 | 0 | 0 | 0 | 110.6 | I303 | I303-F305 VanDerWaalsContact C-N 3.32Å; I303-F305 PolarHBondContact O-N 2.89Å | ||
| 306 | R | 33 | Very low | 37.8 | Very low | 222 Ų | 222 | 127.4 Ų | 127.4 | 84% | 0.838 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 82.9 | 101.9 | 173.5 | -71.9 | -178.1 | 169.7 | 178.1 | -2.8 | 119.5 | ||
| 307 | S | 32 | Very low | 36.4 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | 75.1 | 100.3 | 131.2 | -151.6 | 0 | 0 | 0 | 0 | 119.5 | V309 | S307-V309 PolarHBondContact O-N 3.21Š| ||
| 308 | R | 28.7 | Very low | 36.1 | Very low | 243 Ų | 243 | 134.6 Ų | 134.6 | 92% | 0.917 | 71% | 0.707 | S | S | * | * | trans | -47.5 | 114.6 | 157.9 | -72.6 | 167.4 | 161.3 | 159.7 | -5.8 | 112.2 | ||||
| 309 | V | 36.2 | Very low | 36.8 | Very low | 123 Ų | 123 | 133 Ų | 133 | 75% | 0.745 | 69% | 0.686 | S | S | * | * | trans | -153.8 | 120.2 | 139.6 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | S307 | S307-V309 PolarHBondContact O-N 3.21Š| ||
| 310 | N | 31.7 | Very low | 38.2 | Very low | 151 Ų | 151 | 133.7 Ų | 133.7 | 81% | 0.807 | 68% | 0.684 | S | S | * | * | trans | 66 | 110.7 | 156.2 | -65.7 | -10.5 | 0 | 0 | 0 | 122.8 | ||||
| 311 | N | 28.9 | Very low | 39.9 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | trans | -40.7 | 128.2 | 154.8 | -63.9 | -28 | 0 | 0 | 0 | 114.6 | ||||
| 312 | N | 28.4 | Very low | 41.8 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 66% | 0.663 | S | S | * | * | trans | 160.3 | 42.1 | 138.9 | -81.8 | -8.6 | 0 | 0 | 0 | 113.2 | L314 | N312-L314 PolarHBondContact O-N 3.29Š| ||
| 313 | V | 31.2 | Very low | 44.3 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 75% | 0.752 | 64% | 0.635 | S | S | * | * | trans | -90.4 | 100.2 | 177.3 | -175 | 0 | 0 | 0 | 0 | 110.1 | T315 | V313-T315 HydrophobicContact CG1-CG2 4.48Å; V313-T315 PolarHBondContact O-N 3.42Å | ||
| 314 | L | 29.8 | Very low | 46.7 | Very low | 155 Ų | 155 | 121 Ų | 121 | 81% | 0.812 | 62% | 0.621 | S | S | * | * | trans | -60.9 | 97.6 | 160 | -79.6 | 155.2 | 0 | 0 | 0 | 108 | N312 L316 | N312-L314 PolarHBondContact O-N 3.29Å; L314-L316 VanDerWaalsContact C-N 3.26Å; L314-L316 PolarHBondContact O-N 3.44Å | ||
| 315 | T | 31.1 | Very low | 49.5 | Very low | 106 Ų | 106 | 116 Ų | 116 | 65% | 0.65 | 59% | 0.585 | S | S | * | * | trans | -68.2 | 84.5 | 171.4 | 39.6 | 0 | 0 | 0 | 0 | 109.8 | V313 K317 | V313-T315 HydrophobicContact CG1-CG2 4.48Å; V313-T315 PolarHBondContact O-N 3.42Å; T315-K317 PolarHBondContact O-N 2.88Å; T315-K317 VanDerWaalsContact O-N 3.17Å | ||
| 316 | L | 37.7 | Very low | 52.3 | Low | 110 Ų | 110 | 111.5 Ų | 111.5 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | trans | -69 | 101.1 | 165.8 | -87.4 | 153.3 | 0 | 0 | 0 | 108.2 | L314 M318 | L314-L316 VanDerWaalsContact C-N 3.26Å; L314-L316 PolarHBondContact O-N 3.44Å; L316-M318 PolarHBondContact O-N 3.04Å | ||
| 317 | K | 52.8 | Low | 55 | Low | 173 Ų | 173 | 107 Ų | 107 | 75% | 0.752 | 55% | 0.552 | S | S | * | * | trans | -51.1 | 114.9 | 171.9 | -62 | 173.9 | 178.1 | -178.6 | 0 | 109.1 | T315 | T315-K317 PolarHBondContact O-N 2.88Å; T315-K317 VanDerWaalsContact O-N 3.17Å | ||
| 318 | M | 64.6 | Low | 57.7 | Low | 19 Ų | 19 | 103 Ų | 103 | 9% | 0.094 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -75.1 | -59.5 | 179.8 | -64.1 | -179.8 | 101.1 | 0 | 0 | 111.1 | L252 R258 Q295 L296 L316 F339 | L252-M318 HydrophobicContact CD1-CE 4.36Å; L252-M318 HydrophobicContact CG-CE 4.2Å; L252-M318 WeakPolarHBondContact O-CE 3.4Å; R258-M318 VanDerWaalsContact CD-CE 3.49Å; R258-M318 HydrophobicContact CG-CE 3.69Å; Q295-M318 HydrophobicContact CB-SD 4.17Å; L296-M318 HydrophobicContact CD2-CB 4.2Å; L316-M318 PolarHBondContact O-N 3.04Å; M318-F339 HydrophobicContact CE-CE2 4.37Å; M318-F339 HydrophobicContact CE-CZ 4.18Å |
| 319 | L | 70.3 | Confident | 60.7 | Low | 18 Ų | 18 | 92.5 Ų | 92.5 | 9% | 0.094 | 49% | 0.486 | C | S | . | . | trans | -152.8 | 104.9 | 176.1 | -81.6 | 166.9 | 0 | 0 | 0 | 109.5 | T323 F339 L343 Y381 | L319-T323 HydrophobicContact CD2-CG2 4.38Å; L319-F339 HydrophobicContact CD1-CD1 4.24Å; L319-F339 HydrophobicContact CD1-CE1 3.61Å; L319-F339 HydrophobicContact CD1-CZ 4.47Å; L319-F339 HydrophobicContact CG-CE1 4.11Å; L319-L343 HydrophobicContact CD1-CD2 3.9Å; L319-Y381 HydrophobicContact CB-CE1 4.17Å; L319-Y381 PolarHBondContact O-OH 2.87Å | ||
| 320 | H | 69.1 | Low | 63.2 | Low | 85 Ų | 85 | 91.3 Ų | 91.3 | 39% | 0.394 | 48% | 0.476 | S | S | . | . | trans | -65.2 | 146.7 | 178.6 | -162.8 | -104.5 | 0 | 0 | 0 | 110.7 | E322 T323 | H320-E322 IonicContact CE1-OE2 2.75Å; H320-E322 IonicContact ND1-OE2 2.91Å; H320-E322 PolarHBondContact O-N 2.61Å; H320-T323 PolarHBondContact N-OG1 3.21Å; H320-T323 VanDerWaalsContact O-CB 3.31Å; H320-T323 WeakPolarHBondContact O-CB 3.37Å; H320-T323 PolarHBondContact O-N 3.3Å; H320-T323 PolarHBondContact O-OG1 2.93Å; H320-T323 VanDerWaalsContact O-OG1 3.12Å | ||
| 321 | C | 68.8 | Low | 66 | Low | 44 Ų | 44 | 89 Ų | 89 | 30% | 0.297 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -20.4 | -177.1 | 63.5 | 0 | 0 | 0 | 0 | 114 | Y377 K384 | C321-Y377 HydrophobicContact CB-CE1 4.2Å; C321-K384 WeakPolarHBondContact O-CE 3.21Å; C321-K384 PolarHBondContact O-NZ 2.98Å |
| 322 | E | 76 | Confident | 68.7 | Low | 154 Ų | 154 | 82.5 Ų | 82.5 | 72% | 0.72 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -11 | 177.2 | -65.3 | 175.8 | 168.6 | 0 | 0 | 113.6 | H320 N324 | H320-E322 IonicContact CE1-OE2 2.75Å; H320-E322 IonicContact ND1-OE2 2.91Å; H320-E322 PolarHBondContact O-N 2.61Å; E322-N324 PolarHBondContact O-N 3.21Å |
| 323 | T | 82.2 | Confident | 71.6 | Confident | 47 Ų | 47 | 77.9 Ų | 77.9 | 29% | 0.288 | 42% | 0.42 | S | S | . | . | trans | -59.1 | 134 | -178.8 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | L319 H320 I325 A328 K384 | L319-T323 HydrophobicContact CD2-CG2 4.38Å; H320-T323 PolarHBondContact N-OG1 3.21Å; H320-T323 VanDerWaalsContact O-CB 3.31Å; H320-T323 WeakPolarHBondContact O-CB 3.37Å; H320-T323 PolarHBondContact O-N 3.3Å; H320-T323 PolarHBondContact O-OG1 2.93Å; H320-T323 VanDerWaalsContact O-OG1 3.12Å; T323-I325 PolarHBondContact O-N 3.39Å; T323-A328 HydrophobicContact CG2-CB 4.06Å; T323-K384 PolarHBondContact O-NZ 3.15Å | ||
| 324 | N | 87.2 | Confident | 74.5 | Confident | 62 Ų | 62 | 77.5 Ų | 77.5 | 33% | 0.332 | 41% | 0.414 | S | S | . | . | trans | -77.6 | 100 | 167.5 | -174.5 | -15.6 | 0 | 0 | 0 | 108 | E322 R326 E327 A328 | E322-N324 PolarHBondContact O-N 3.21Å; N324-R326 VanDerWaalsContact C-N 3.26Å; N324-R326 PolarHBondContact O-N 3.03Å; N324-R326 WeakPolarHBondContact OD1-CB 3.31Å; N324-R326 PolarHBondContact OD1-N 3.15Å; N324-E327 HydrophobicContact CB-CB 4.24Å; N324-E327 HydrophobicContact CB-CG 4.39Å; N324-E327 PolarHBondContact ND2-OE1 3.33Å; N324-E327 PolarHBondContact O-N 3.41Å; N324-E327 PolarHBondContact OD1-N 3.28Å; N324-A328 WeakPolarHBondContact O-CB 3.29Å; N324-A328 PolarHBondContact O-N 3.49Å | ||
| 325 | I | 89.1 | Confident | 77.3 | Confident | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.015 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.7 | -32.1 | -174.9 | -60 | -174.2 | 0 | 0 | 0 | 111 | T323 A328 Y329 I340 Y381 K384 I385 V388 | T323-I325 PolarHBondContact O-N 3.39Å; I325-A328 PolarHBondContact O-N 2.99Å; I325-Y329 VanDerWaalsContact O-CB 3.31Å; I325-Y329 WeakPolarHBondContact O-CB 3.36Å; I325-Y329 PolarHBondContact O-N 3.01Å; I325-I340 HydrophobicContact CG2-CD1 3.96Å; I325-I340 HydrophobicContact CG2-CG1 4.35Å; I325-I340 HydrophobicContact CG2-CG2 4.07Å; I325-Y381 HydrophobicContact CD1-CD1 3.96Å; I325-K384 HydrophobicContact CB-CB 4.35Å; I325-K384 HydrophobicContact CD1-CB 3.62Å; I325-K384 HydrophobicContact CD1-CD 4.38Å; I325-K384 HydrophobicContact CG1-CB 4.02Å; I325-I385 HydrophobicContact CD1-CG1 3.93Å; I325-I385 HydrophobicContact CG2-CG1 4.19Å; I325-V388 HydrophobicContact CG2-CG2 3.81Å |
| 326 | R | 89.9 | Confident | 80.1 | Confident | 81 Ų | 81 | 74.8 Ų | 74.8 | 31% | 0.306 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.6 | -51.1 | 174.9 | 178.9 | -172.6 | -67.7 | 172 | -0.5 | 111.4 | N324 Y329 N330 E387 E389 | N324-R326 VanDerWaalsContact C-N 3.26Å; N324-R326 PolarHBondContact O-N 3.03Å; N324-R326 WeakPolarHBondContact OD1-CB 3.31Å; N324-R326 PolarHBondContact OD1-N 3.15Å; R326-Y329 PolarHBondContact O-N 3.3Å; R326-N330 PolarHBondContact O-N 3.22Å; R326-E387 VanDerWaalsContact CZ-O 3.24Å; R326-E387 PolarHBondContact NE-O 3.1Å; R326-E387 PolarHBondContact NH2-O 3.08Å; R326-E389 HydrophobicContact CG-CG 4.48Å |
| 327 | E | 90.3 | Very high | 82.7 | Confident | 128 Ų | 128 | 72.1 Ų | 72.1 | 60% | 0.598 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.3 | -43.2 | 178.4 | -73.6 | 171.4 | -159.6 | 0 | 0 | 111.7 | N324 Y329 N330 S331 | N324-E327 HydrophobicContact CB-CB 4.24Å; N324-E327 HydrophobicContact CB-CG 4.39Å; N324-E327 PolarHBondContact ND2-OE1 3.33Å; N324-E327 PolarHBondContact O-N 3.41Å; N324-E327 PolarHBondContact OD1-N 3.28Å; E327-Y329 VanDerWaalsContact C-N 3.3Å; E327-Y329 PolarHBondContact O-N 3.16Å; E327-N330 PolarHBondContact O-N 3.2Å; E327-S331 PolarHBondContact O-N 3.48Å; E327-S331 PolarHBondContact O-OG 3.46Å; E327-S331 VanDerWaalsContact O-OG 3.12Å |
| 328 | A | 88.4 | Confident | 84.6 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 24% | 0.24 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T323 N324 I325 S331 G332 | T323-A328 HydrophobicContact CG2-CB 4.06Å; N324-A328 WeakPolarHBondContact O-CB 3.29Å; N324-A328 PolarHBondContact O-N 3.49Å; I325-A328 PolarHBondContact O-N 2.99Å; A328-S331 PolarHBondContact O-OG 3.08Å; A328-G332 WeakPolarHBondContact O-CA 3.4Å; A328-G332 PolarHBondContact O-N 2.83Å |
| 329 | Y | 90.3 | Very high | 85.9 | Confident | 24 Ų | 24 | 69 Ų | 69 | 9% | 0.094 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 175.5 | -172.5 | -95.3 | 0 | 0 | 0 | 111.8 | I325 R326 E327 S331 G332 Q337 I340 V388 D390 I393 | I325-Y329 VanDerWaalsContact O-CB 3.31Å; I325-Y329 WeakPolarHBondContact O-CB 3.36Å; I325-Y329 PolarHBondContact O-N 3.01Å; R326-Y329 PolarHBondContact O-N 3.3Å; E327-Y329 VanDerWaalsContact C-N 3.3Å; E327-Y329 PolarHBondContact O-N 3.16Å; Y329-S331 VanDerWaalsContact C-N 3.27Å; Y329-S331 PolarHBondContact O-N 2.87Å; Y329-G332 PolarHBondContact O-N 2.99Å; Y329-Q337 HydrophobicContact CD2-CB 4.08Å; Y329-Q337 HydrophobicContact CD2-CG 3.84Å; Y329-Q337 HydrophobicContact CE1-CG 4.39Å; Y329-Q337 HydrophobicContact CE2-CB 3.47Å; Y329-Q337 VanDerWaalsContact CE2-CB 3.47Å; Y329-Q337 HydrophobicContact CE2-CG 3.58Å; Y329-Q337 HydrophobicContact CG-CG 4.32Å; Y329-Q337 PolarHBondContact O-NE2 3.12Å; Y329-Q337 VanDerWaalsContact O-NE2 3.13Å; Y329-I340 HydrophobicContact CD2-CB 4.17Å; Y329-I340 HydrophobicContact CD2-CD1 3.8Å; Y329-I340 HydrophobicContact CD2-CG2 4.17Å; Y329-I340 HydrophobicContact CG-CD1 4.43Å; Y329-V388 HydrophobicContact CD1-CG1 3.4Å; Y329-V388 HydrophobicContact CD2-CG1 4.03Å; Y329-V388 HydrophobicContact CE1-CG1 3.86Å; Y329-V388 HydrophobicContact CE2-CG1 4.46Å; Y329-V388 HydrophobicContact CG-CG1 3.48Å; Y329-V388 VanDerWaalsContact CG-CG1 3.48Å; Y329-D390 HydrophobicContact CE1-CB 3.77Å; Y329-D390 PolarHBondContact OH-OD2 3.23Å; Y329-I393 HydrophobicContact CD2-CD1 3.89Å; Y329-I393 HydrophobicContact CE1-CD1 4.37Å; Y329-I393 HydrophobicContact CE2-CD1 3.12Å; Y329-I393 VanDerWaalsContact CZ-CD1 3.4Å; Y329-I393 WeakPolarHBondContact OH-CD1 3.45Å |
| 330 | N | 90 | Very high | 87 | Confident | 98 Ų | 98 | 68.5 Ų | 68.5 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.8 | -29.9 | -178.8 | -71.5 | -4 | 0 | 0 | 0 | 112.9 | R326 E327 | R326-N330 PolarHBondContact O-N 3.22Å; E327-N330 PolarHBondContact O-N 3.2Å |
| 331 | S | 90.5 | Very high | 88.1 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 71% | 0.713 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -96.3 | -4.2 | 176.3 | 65.8 | 0 | 0 | 0 | 0 | 114.8 | E327 A328 Y329 | E327-S331 PolarHBondContact O-N 3.48Å; E327-S331 PolarHBondContact O-OG 3.46Å; E327-S331 VanDerWaalsContact O-OG 3.12Å; A328-S331 PolarHBondContact O-OG 3.08Å; Y329-S331 VanDerWaalsContact C-N 3.27Å; Y329-S331 PolarHBondContact O-N 2.87Å |
| 332 | G | 85.1 | Confident | 89.4 | Confident | 16 Ų | 16 | 64.4 Ų | 64.4 | 17% | 0.165 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -81.4 | 158.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A328 Y329 E336 | A328-G332 WeakPolarHBondContact O-CA 3.4Å; A328-G332 PolarHBondContact O-N 2.83Å; Y329-G332 PolarHBondContact O-N 2.99Å; G332-E336 WeakPolarHBondContact CA-OE2 3.32Å |
| 333 | S | 90.3 | Very high | 90.2 | Very high | 58 Ų | 58 | 57.1 Ų | 57.1 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | trans | -73 | 161.7 | 169.2 | 60.7 | 0 | 0 | 0 | 0 | 112.2 | N335 E336 Q337 | S333-N335 PolarHBondContact O-N 3.39Å; S333-E336 PolarHBondContact N-OE2 2.89Å; S333-E336 WeakPolarHBondContact O-CA 3.48Å; S333-E336 PolarHBondContact O-N 2.95Å; S333-E336 WeakPolarHBondContact OG-CG 3.32Å; S333-E336 PolarHBondContact OG-OE2 3.31Å; S333-Q337 PolarHBondContact O-N 3.45Å | ||
| 334 | D | 91.1 | Very high | 90.8 | Very high | 116 Ų | 116 | 54.9 Ų | 54.9 | 62% | 0.62 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -49.5 | -36.5 | 175 | -64.1 | 2.5 | 0 | 0 | 0 | 112.9 | K338 | D334-K338 VanDerWaalsContact O-CB 3.32Å; D334-K338 WeakPolarHBondContact O-CB 3.44Å; D334-K338 WeakPolarHBondContact O-CG 3.24Å; D334-K338 PolarHBondContact O-N 3.3Å |
| 335 | N | 89.5 | Confident | 91.3 | Very high | 106 Ų | 106 | 55 Ų | 55 | 57% | 0.567 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -71.1 | -33.8 | 178.6 | -78 | -30 | 0 | 0 | 0 | 113.2 | N259 S333 F339 | N259-N335 PolarHBondContact ND2-O 3.44Å; N259-N335 VanDerWaalsContact ND2-O 3.09Å; S333-N335 PolarHBondContact O-N 3.39Å; N335-F339 WeakPolarHBondContact O-CB 3.43Å; N335-F339 PolarHBondContact O-N 3.47Å |
| 336 | E | 88.8 | Confident | 91.6 | Very high | 97 Ų | 97 | 54.9 Ų | 54.9 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -77.5 | -38.1 | 177.2 | -71.3 | 166.5 | 143.6 | 0 | 0 | 111.4 | G332 S333 F339 I340 | G332-E336 WeakPolarHBondContact CA-OE2 3.32Å; S333-E336 PolarHBondContact N-OE2 2.89Å; S333-E336 WeakPolarHBondContact O-CA 3.48Å; S333-E336 PolarHBondContact O-N 2.95Å; S333-E336 WeakPolarHBondContact OG-CG 3.32Å; S333-E336 PolarHBondContact OG-OE2 3.31Å; E336-F339 WeakPolarHBondContact O-CB 3.39Å; E336-F339 PolarHBondContact O-N 3.18Å; E336-F339 VanDerWaalsContact O-N 3.16Å; E336-I340 PolarHBondContact O-N 3.12Å |
| 337 | Q | 92 | Very high | 91.9 | Very high | 54 Ų | 54 | 51 Ų | 51 | 25% | 0.252 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 170.7 | -68.9 | -177.6 | -6.8 | 0 | 0 | 111 | Y329 S333 F339 I340 S341 | Y329-Q337 HydrophobicContact CD2-CB 4.08Å; Y329-Q337 HydrophobicContact CD2-CG 3.84Å; Y329-Q337 HydrophobicContact CE1-CG 4.39Å; Y329-Q337 HydrophobicContact CE2-CB 3.47Å; Y329-Q337 VanDerWaalsContact CE2-CB 3.47Å; Y329-Q337 HydrophobicContact CE2-CG 3.58Å; Y329-Q337 HydrophobicContact CG-CG 4.32Å; Y329-Q337 PolarHBondContact O-NE2 3.12Å; Y329-Q337 VanDerWaalsContact O-NE2 3.13Å; S333-Q337 PolarHBondContact O-N 3.45Å; Q337-F339 VanDerWaalsContact C-N 3.26Å; Q337-F339 PolarHBondContact O-N 3.11Å; Q337-I340 PolarHBondContact O-N 2.85Å; Q337-S341 PolarHBondContact O-N 2.93Å |
| 338 | K | 92.6 | Very high | 92.1 | Very high | 120 Ų | 120 | 45.3 Ų | 45.3 | 52% | 0.522 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.3 | -36.9 | 171.8 | -76.6 | 172.7 | -175.4 | 175.5 | 0 | 112.5 | D334 S341 N342 | D334-K338 VanDerWaalsContact O-CB 3.32Å; D334-K338 WeakPolarHBondContact O-CB 3.44Å; D334-K338 WeakPolarHBondContact O-CG 3.24Å; D334-K338 PolarHBondContact O-N 3.3Å; K338-S341 PolarHBondContact O-N 3.2Å; K338-N342 WeakPolarHBondContact O-CB 3.2Å; K338-N342 PolarHBondContact O-N 3.37Å; K338-N342 PolarHBondContact O-ND2 2.8Å; K338-N342 VanDerWaalsContact O-ND2 3.08Å |
| 339 | F | 92.8 | Very high | 92.5 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -43 | 176.8 | 174.3 | -117.8 | 0 | 0 | 0 | 112.2 | R258 N259 L262 L296 M318 L319 N335 E336 Q337 S341 N342 L343 | R258-F339 VanDerWaalsContact CD-CE2 3.45Å; R258-F339 HydrophobicContact CG-CD2 3.72Å; R258-F339 HydrophobicContact CG-CE2 3.72Å; N259-F339 WeakPolarHBondContact OD1-CA 3.49Å; N259-F339 WeakPolarHBondContact OD1-CB 3.34Å; N259-F339 PolarHBondContact OD1-N 3.1Å; L262-F339 HydrophobicContact CD2-CD2 3.98Å; L262-F339 HydrophobicContact CD2-CE2 3.83Å; L296-F339 HydrophobicContact CD2-CZ 3.85Å; M318-F339 HydrophobicContact CE-CE2 4.37Å; M318-F339 HydrophobicContact CE-CZ 4.18Å; L319-F339 HydrophobicContact CD1-CD1 4.24Å; L319-F339 HydrophobicContact CD1-CE1 3.61Å; L319-F339 HydrophobicContact CD1-CZ 4.47Å; L319-F339 HydrophobicContact CG-CE1 4.11Å; N335-F339 WeakPolarHBondContact O-CB 3.43Å; N335-F339 PolarHBondContact O-N 3.47Å; E336-F339 WeakPolarHBondContact O-CB 3.39Å; E336-F339 PolarHBondContact O-N 3.18Å; E336-F339 VanDerWaalsContact O-N 3.16Å; Q337-F339 VanDerWaalsContact C-N 3.26Å; Q337-F339 PolarHBondContact O-N 3.11Å; F339-S341 VanDerWaalsContact C-N 3.34Å; F339-N342 PolarHBondContact O-N 3.18Å; F339-L343 VanDerWaalsContact O-CB 3.29Å; F339-L343 WeakPolarHBondContact O-CB 3.05Å; F339-L343 PolarHBondContact O-N 3.26Å |
| 340 | I | 92.5 | Very high | 92.8 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 175.6 | -69.6 | 167.7 | 0 | 0 | 0 | 110.6 | I325 Y329 E336 Q337 L343 A344 I385 I393 | I325-I340 HydrophobicContact CG2-CD1 3.96Å; I325-I340 HydrophobicContact CG2-CG1 4.35Å; I325-I340 HydrophobicContact CG2-CG2 4.07Å; Y329-I340 HydrophobicContact CD2-CB 4.17Å; Y329-I340 HydrophobicContact CD2-CD1 3.8Å; Y329-I340 HydrophobicContact CD2-CG2 4.17Å; Y329-I340 HydrophobicContact CG-CD1 4.43Å; E336-I340 PolarHBondContact O-N 3.12Å; Q337-I340 PolarHBondContact O-N 2.85Å; I340-L343 WeakPolarHBondContact O-CB 3.43Å; I340-L343 PolarHBondContact O-N 3.34Å; I340-A344 PolarHBondContact O-N 3.44Å; I340-I385 HydrophobicContact CG2-CG1 4.23Å; I340-I385 HydrophobicContact CG2-CG2 3.94Å; I340-I393 HydrophobicContact CG2-CD1 4.3Å |
| 341 | S | 93.5 | Very high | 93 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 21% | 0.21 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.3 | -49.3 | 174.9 | 177.7 | 0 | 0 | 0 | 0 | 112.4 | Q337 K338 F339 L343 A344 L345 | Q337-S341 PolarHBondContact O-N 2.93Å; K338-S341 PolarHBondContact O-N 3.2Å; F339-S341 VanDerWaalsContact C-N 3.34Å; S341-L343 PolarHBondContact O-N 2.88Å; S341-A344 WeakPolarHBondContact O-CB 3.21Å; S341-A344 PolarHBondContact O-N 3.33Å; S341-A344 VanDerWaalsContact O-N 3.15Å; S341-L345 PolarHBondContact O-N 2.91Å |
| 342 | N | 94.8 | Very high | 93.2 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61 | -31.5 | 176 | -72.4 | -36.7 | 0 | 0 | 0 | 112.2 | N259 L262 Q263 K338 F339 F346 | N259-N342 PolarHBondContact OD1-ND2 3.41Å; N259-N342 VanDerWaalsContact OD1-ND2 3.15Å; L262-N342 HydrophobicContact CB-CB 4.48Å; L262-N342 HydrophobicContact CD2-CB 3.73Å; L262-N342 HydrophobicContact CG-CB 4.16Å; Q263-N342 PolarHBondContact NE2-OD1 3.32Å; Q263-N342 VanDerWaalsContact NE2-OD1 3.15Å; K338-N342 WeakPolarHBondContact O-CB 3.2Å; K338-N342 PolarHBondContact O-N 3.37Å; K338-N342 PolarHBondContact O-ND2 2.8Å; K338-N342 VanDerWaalsContact O-ND2 3.08Å; F339-N342 PolarHBondContact O-N 3.18Å; N342-F346 WeakPolarHBondContact O-CB 3.37Å; N342-F346 PolarHBondContact O-N 2.84Å |
| 343 | L | 94.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.8 | -40.2 | 176.3 | -173.2 | 63 | 0 | 0 | 0 | 112.1 | L262 L296 L319 F339 I340 S341 F346 F347 I385 | L262-L343 HydrophobicContact CD2-CB 4.25Å; L262-L343 HydrophobicContact CD2-CD1 4.42Å; L296-L343 HydrophobicContact CD1-CD1 3.72Å; L296-L343 HydrophobicContact CD1-CD2 4.42Å; L296-L343 HydrophobicContact CD2-CD1 4.43Å; L296-L343 HydrophobicContact CD2-CD2 4.37Å; L319-L343 HydrophobicContact CD1-CD2 3.9Å; F339-L343 VanDerWaalsContact O-CB 3.29Å; F339-L343 WeakPolarHBondContact O-CB 3.05Å; F339-L343 PolarHBondContact O-N 3.26Å; I340-L343 WeakPolarHBondContact O-CB 3.43Å; I340-L343 PolarHBondContact O-N 3.34Å; S341-L343 PolarHBondContact O-N 2.88Å; L343-F346 PolarHBondContact O-N 2.92Å; L343-F347 HydrophobicContact CD1-CD2 3.8Å; L343-F347 HydrophobicContact CD1-CE2 3.37Å; L343-F347 HydrophobicContact CD1-CZ 3.93Å; L343-F347 HydrophobicContact CD2-CE2 4.12Å; L343-F347 HydrophobicContact CG-CD2 3.83Å; L343-F347 HydrophobicContact CG-CE2 3.66Å; L343-F347 WeakPolarHBondContact O-CD2 3.43Å; L343-F347 PolarHBondContact O-N 3.35Å; L343-I385 HydrophobicContact CB-CD1 4.46Å; L343-I385 HydrophobicContact CD2-CD1 4.16Å; L343-I385 HydrophobicContact CG-CD1 4.21Å |
| 344 | A | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I340 S341 G348 I385 I396 | I340-A344 PolarHBondContact O-N 3.44Å; S341-A344 WeakPolarHBondContact O-CB 3.21Å; S341-A344 PolarHBondContact O-N 3.33Å; S341-A344 VanDerWaalsContact O-N 3.15Å; A344-G348 PolarHBondContact O-N 3.43Å; A344-I385 HydrophobicContact CB-CD1 4.45Å; A344-I385 HydrophobicContact CB-CG2 4.05Å; A344-I396 HydrophobicContact CB-CG2 3.83Å |
| 345 | L | 96.2 | Very high | 93.6 | Very high | 66 Ų | 66 | 36.5 Ų | 36.5 | 35% | 0.346 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61 | -47.4 | 175.4 | -71.9 | 169.6 | 0 | 0 | 0 | 111.5 | T266 S341 T349 I396 | T266-L345 HydrophobicContact CG2-CB 4.46Å; S341-L345 PolarHBondContact O-N 2.91Å; L345-T349 WeakPolarHBondContact O-CB 3.49Å; L345-T349 PolarHBondContact O-N 2.87Å; L345-T349 PolarHBondContact O-OG1 2.84Å; L345-I396 HydrophobicContact CD2-CD1 4.02Å; L345-I396 HydrophobicContact CD2-CG1 4.08Å; L345-I396 HydrophobicContact CD2-CG2 3.76Å; L345-I396 HydrophobicContact CG-CD1 4.09Å; L345-I396 HydrophobicContact CG-CG2 4.1Å |
| 346 | F | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59 | -53.1 | 179.2 | 173 | -102 | 0 | 0 | 0 | 112.1 | L262 L265 T266 L288 F289 V292 N342 L343 F350 | L262-F346 HydrophobicContact CD1-CB 3.71Å; L262-F346 HydrophobicContact CD1-CD1 4.25Å; L262-F346 HydrophobicContact CD1-CD2 4.07Å; L262-F346 HydrophobicContact CD1-CG 3.71Å; L262-F346 HydrophobicContact CG-CB 4.19Å; L265-F346 HydrophobicContact CB-CD2 4.25Å; L265-F346 HydrophobicContact CB-CE2 4.12Å; T266-F346 WeakPolarHBondContact OG1-CA 3.23Å; T266-F346 WeakPolarHBondContact OG1-CB 3.5Å; L288-F346 HydrophobicContact CD2-CE2 3.58Å; L288-F346 HydrophobicContact CD2-CZ 3.55Å; F289-F346 HydrophobicContact CD2-CE1 4.41Å; F289-F346 HydrophobicContact CD2-CZ 4.49Å; V292-F346 HydrophobicContact CB-CE1 3.94Å; V292-F346 HydrophobicContact CB-CZ 4.1Å; V292-F346 HydrophobicContact CG1-CD1 3.98Å; V292-F346 HydrophobicContact CG1-CE1 3.53Å; V292-F346 HydrophobicContact CG1-CZ 4.12Å; V292-F346 HydrophobicContact CG2-CE1 4.16Å; V292-F346 HydrophobicContact CG2-CE2 4.46Å; V292-F346 HydrophobicContact CG2-CZ 3.88Å; N342-F346 WeakPolarHBondContact O-CB 3.37Å; N342-F346 PolarHBondContact O-N 2.84Å; L343-F346 PolarHBondContact O-N 2.92Å; F346-F350 HydrophobicContact CE2-CD2 4.34Å; F346-F350 HydrophobicContact CZ-CB 4.43Å; F346-F350 HydrophobicContact CZ-CD2 4.18Å; F346-F350 HydrophobicContact CZ-CG 4.48Å; F346-F350 VanDerWaalsContact O-CB 3.23Å; F346-F350 WeakPolarHBondContact O-CB 3.4Å; F346-F350 PolarHBondContact O-N 3.38Å |
| 347 | F | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68 | -42.8 | -179 | -73.9 | -45.4 | 0 | 0 | 0 | 112 | F289 T293 L296 L343 T349 F350 L351 A378 Y381 M382 | F289-F347 HydrophobicContact CE2-CD1 4.03Å; F289-F347 HydrophobicContact CE2-CE1 4.05Å; T293-F347 HydrophobicContact CG2-CE1 3.91Å; T293-F347 HydrophobicContact CG2-CZ 4.23Å; L296-F347 HydrophobicContact CD1-CE2 4.06Å; L296-F347 HydrophobicContact CD1-CZ 3.62Å; L343-F347 HydrophobicContact CD1-CD2 3.8Å; L343-F347 HydrophobicContact CD1-CE2 3.37Å; L343-F347 HydrophobicContact CD1-CZ 3.93Å; L343-F347 HydrophobicContact CD2-CE2 4.12Å; L343-F347 HydrophobicContact CG-CD2 3.83Å; L343-F347 HydrophobicContact CG-CE2 3.66Å; L343-F347 WeakPolarHBondContact O-CD2 3.43Å; L343-F347 PolarHBondContact O-N 3.35Å; F347-T349 PolarHBondContact O-N 3.07Å; F347-F350 PolarHBondContact O-N 3Å; F347-L351 HydrophobicContact CB-CD1 4.43Å; F347-L351 WeakPolarHBondContact O-CB 3.45Å; F347-L351 WeakPolarHBondContact O-CG 3.41Å; F347-L351 PolarHBondContact O-N 3.32Å; F347-A378 HydrophobicContact CD1-CB 3.62Å; F347-A378 HydrophobicContact CE1-CB 3.59Å; F347-A378 HydrophobicContact CG-CB 4.19Å; F347-A378 HydrophobicContact CZ-CB 4.12Å; F347-Y381 HydrophobicContact CE2-CD2 4.07Å; F347-Y381 HydrophobicContact CE2-CG 4.15Å; F347-Y381 HydrophobicContact CZ-CD2 4.29Å; F347-M382 HydrophobicContact CB-CG 3.85Å; F347-M382 HydrophobicContact CB-SD 3.66Å |
| 348 | G | 95.5 | Very high | 93.7 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 8% | 0.082 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.1 | -49.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A344 K352 | A344-G348 PolarHBondContact O-N 3.43Å; G348-K352 WeakPolarHBondContact O-CB 3.19Å; G348-K352 PolarHBondContact O-N 3.35Å |
| 349 | T | 95.6 | Very high | 93.6 | Very high | 35 Ų | 35 | 25.4 Ų | 25.4 | 22% | 0.215 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.3 | -48.9 | 178.3 | -62.1 | 0 | 0 | 0 | 0 | 112 | T266 A269 A270 L345 F347 L351 K352 E353 | T266-T349 HydrophobicContact CG2-CG2 4.21Å; A269-T349 HydrophobicContact CB-CG2 4.45Å; A270-T349 HydrophobicContact CB-CG2 3.8Å; L345-T349 WeakPolarHBondContact O-CB 3.49Å; L345-T349 PolarHBondContact O-N 2.87Å; L345-T349 PolarHBondContact O-OG1 2.84Å; F347-T349 PolarHBondContact O-N 3.07Å; T349-L351 PolarHBondContact O-N 3.4Å; T349-K352 PolarHBondContact O-N 3.22Å; T349-E353 HydrophobicContact CG2-CG 4.36Å; T349-E353 WeakPolarHBondContact O-CB 3.33Å; T349-E353 WeakPolarHBondContact O-CG 3.34Å; T349-E353 PolarHBondContact O-N 3.05Å |
| 350 | F | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | -178.2 | -169.2 | -76 | 0 | 0 | 0 | 111.3 | A269 L285 L288 F289 F346 F347 K352 R354 V358 | A269-F350 HydrophobicContact CB-CB 4.13Å; A269-F350 HydrophobicContact CB-CD2 3.68Å; A269-F350 HydrophobicContact CB-CG 4.35Å; L285-F350 HydrophobicContact CB-CE2 4.34Å; L285-F350 HydrophobicContact CB-CZ 4.43Å; L285-F350 WeakPolarHBondContact O-CE2 3.32Å; L285-F350 WeakPolarHBondContact O-CZ 3.29Å; L288-F350 HydrophobicContact CD2-CD2 4.48Å; L288-F350 HydrophobicContact CD2-CE2 4.4Å; F289-F350 HydrophobicContact CB-CD1 4.42Å; F289-F350 HydrophobicContact CB-CD2 4.47Å; F289-F350 HydrophobicContact CB-CE1 3.79Å; F289-F350 HydrophobicContact CB-CE2 3.85Å; F289-F350 HydrophobicContact CB-CZ 3.49Å; F289-F350 VanDerWaalsContact CB-CZ 3.49Å; F289-F350 AromaticContact CD2-CD1 3.44Å; F289-F350 HydrophobicContact CD2-CD1 3.44Å; F289-F350 VanDerWaalsContact CD2-CD1 3.44Å; F289-F350 HydrophobicContact CD2-CD2 4.28Å; F289-F350 AromaticContact CD2-CE1 3.58Å; F289-F350 HydrophobicContact CD2-CE1 3.58Å; F289-F350 HydrophobicContact CD2-CE2 4.39Å; F289-F350 AromaticContact CD2-CG 3.85Å; F289-F350 HydrophobicContact CD2-CG 3.85Å; F289-F350 HydrophobicContact CD2-CZ 4.09Å; F289-F350 AromaticContact CE2-CD1 3.88Å; F289-F350 HydrophobicContact CE2-CD1 3.88Å; F289-F350 HydrophobicContact CE2-CE1 4.27Å; F289-F350 HydrophobicContact CE2-CG 4.46Å; F289-F350 HydrophobicContact CG-CD1 4.09Å; F289-F350 AromaticContact CG-CE1 3.73Å; F289-F350 HydrophobicContact CG-CE1 3.73Å; F289-F350 AromaticContact CG-CZ 3.98Å; F289-F350 HydrophobicContact CG-CZ 3.98Å; F346-F350 HydrophobicContact CE2-CD2 4.34Å; F346-F350 HydrophobicContact CZ-CB 4.43Å; F346-F350 HydrophobicContact CZ-CD2 4.18Å; F346-F350 HydrophobicContact CZ-CG 4.48Å; F346-F350 VanDerWaalsContact O-CB 3.23Å; F346-F350 WeakPolarHBondContact O-CB 3.4Å; F346-F350 PolarHBondContact O-N 3.38Å; F347-F350 PolarHBondContact O-N 3Å; F350-K352 VanDerWaalsContact C-N 3.31Å; F350-K352 PolarHBondContact O-N 3.26Å; F350-R354 HydrophobicContact CD1-CB 4.11Å; F350-R354 HydrophobicContact CE1-CB 3.8Å; F350-R354 HydrophobicContact CE1-CG 4.45Å; F350-R354 HydrophobicContact CE2-CG 4.38Å; F350-R354 HydrophobicContact CZ-CB 4.02Å; F350-R354 HydrophobicContact CZ-CG 4.3Å; F350-R354 WeakPolarHBondContact O-CA 3.23Å; F350-R354 VanDerWaalsContact O-CB 3.24Å; F350-R354 WeakPolarHBondContact O-CB 3.37Å; F350-R354 PolarHBondContact O-N 2.93Å; F350-V358 HydrophobicContact CE1-CG1 3.75Å |
| 351 | L | 95.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.7 | -33.2 | -178.8 | -64.4 | 174.3 | 0 | 0 | 0 | 111.6 | F289 F347 T349 A355 V358 A378 L379 M382 Y400 | F289-L351 HydrophobicContact CE2-CD2 4.29Å; F289-L351 HydrophobicContact CZ-CD2 4.29Å; F347-L351 HydrophobicContact CB-CD1 4.43Å; F347-L351 WeakPolarHBondContact O-CB 3.45Å; F347-L351 WeakPolarHBondContact O-CG 3.41Å; F347-L351 PolarHBondContact O-N 3.32Å; T349-L351 PolarHBondContact O-N 3.4Å; L351-A355 WeakPolarHBondContact O-CA 3.22Å; L351-A355 VanDerWaalsContact O-CB 3.25Å; L351-A355 WeakPolarHBondContact O-CB 3.47Å; L351-A355 PolarHBondContact O-N 3.34Å; L351-V358 HydrophobicContact CD2-CG2 3.87Å; L351-A378 HydrophobicContact CD1-CB 4.35Å; L351-L379 HydrophobicContact CD1-CD2 4.01Å; L351-M382 HydrophobicContact CD1-CG 4.46Å; L351-Y400 HydrophobicContact CB-CD2 4.18Å; L351-Y400 HydrophobicContact CB-CE2 3.32Å; L351-Y400 HydrophobicContact CD1-CE1 4.16Å; L351-Y400 HydrophobicContact CD1-CE2 4.18Å; L351-Y400 WeakPolarHBondContact CD1-OH 3.05Å; L351-Y400 HydrophobicContact CG-CE2 4.39Å |
| 352 | K | 93.8 | Very high | 92.6 | Very high | 92 Ų | 92 | 34.4 Ų | 34.4 | 40% | 0.4 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -69.6 | -51.1 | 175.7 | -176.1 | 174 | -180 | -177.5 | 0 | 112.8 | G348 T349 F350 W403 | G348-K352 WeakPolarHBondContact O-CB 3.19Å; G348-K352 PolarHBondContact O-N 3.35Å; T349-K352 PolarHBondContact O-N 3.22Å; F350-K352 VanDerWaalsContact C-N 3.31Å; F350-K352 PolarHBondContact O-N 3.26Å; K352-W403 HydrophobicContact CB-CD2 4.35Å; K352-W403 HydrophobicContact CB-CE3 4.27Å; K352-W403 HydrophobicContact CB-CZ3 4.42Å; K352-W403 HydrophobicContact CD-CD2 4.44Å; K352-W403 HydrophobicContact CD-CG 4.26Å; K352-W403 HydrophobicContact CG-CD2 3.79Å; K352-W403 HydrophobicContact CG-CE3 4.21Å; K352-W403 HydrophobicContact CG-CG 4.09Å; K352-W403 HydrophobicContact CG-CZ2 4.22Å; K352-W403 WeakPolarHBondContact O-CZ2 3.38Å |
| 353 | E | 91.8 | Very high | 92.2 | Very high | 87 Ų | 87 | 40.5 Ų | 40.5 | 41% | 0.407 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -81.4 | -24.5 | -174 | -61.8 | -57.6 | 142.6 | 0 | 0 | 113.1 | T349 | T349-E353 HydrophobicContact CG2-CG 4.36Å; T349-E353 WeakPolarHBondContact O-CB 3.33Å; T349-E353 WeakPolarHBondContact O-CG 3.34Å; T349-E353 PolarHBondContact O-N 3.05Å |
| 354 | R | 91.8 | Very high | 91.6 | Very high | 31 Ų | 31 | 44.1 Ų | 44.1 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -129 | 21.5 | -170.8 | -48.3 | -62 | 169.9 | -161.8 | -4.3 | 114.7 | A269 V271 L285 F350 A356 L357 | A269-R354 PolarHBondContact O-NE 2.85Å; A269-R354 PolarHBondContact O-NH2 2.97Å; V271-R354 PolarHBondContact O-NH2 3.46Å; L285-R354 HydrophobicContact CD1-CG 4.43Å; F350-R354 HydrophobicContact CD1-CB 4.11Å; F350-R354 HydrophobicContact CE1-CB 3.8Å; F350-R354 HydrophobicContact CE1-CG 4.45Å; F350-R354 HydrophobicContact CE2-CG 4.38Å; F350-R354 HydrophobicContact CZ-CB 4.02Å; F350-R354 HydrophobicContact CZ-CG 4.3Å; F350-R354 WeakPolarHBondContact O-CA 3.23Å; F350-R354 VanDerWaalsContact O-CB 3.24Å; F350-R354 WeakPolarHBondContact O-CB 3.37Å; F350-R354 PolarHBondContact O-N 2.93Å; R354-A356 PolarHBondContact O-N 2.9Å; R354-A356 VanDerWaalsContact O-N 3.09Å; R354-L357 HydrophobicContact CB-CD1 4.1Å; R354-L357 HydrophobicContact CB-CG 4.3Å; R354-L357 HydrophobicContact CG-CD1 4.49Å; R354-L357 WeakPolarHBondContact O-CB 3.19Å; R354-L357 PolarHBondContact O-N 3.31Å |
| 355 | A | 91.1 | Very high | 91.2 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -43.8 | -46.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L351 L357 V358 E359 W403 | L351-A355 WeakPolarHBondContact O-CA 3.22Å; L351-A355 VanDerWaalsContact O-CB 3.25Å; L351-A355 WeakPolarHBondContact O-CB 3.47Å; L351-A355 PolarHBondContact O-N 3.34Å; A355-L357 PolarHBondContact O-N 3.28Å; A355-V358 VanDerWaalsContact O-CG2 3.25Å; A355-V358 WeakPolarHBondContact O-CG2 3.42Å; A355-V358 PolarHBondContact O-N 2.72Å; A355-E359 WeakPolarHBondContact O-CB 3.32Å; A355-E359 VanDerWaalsContact O-CG 3.31Å; A355-E359 WeakPolarHBondContact O-CG 3.38Å; A355-E359 PolarHBondContact O-N 2.83Å; A355-W403 HydrophobicContact CB-CH2 4.05Å |
| 356 | A | 89.5 | Confident | 90.8 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 71% | 0.711 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.1 | -22.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R354 | R354-A356 PolarHBondContact O-N 2.9Å; R354-A356 VanDerWaalsContact O-N 3.09Å |
| 357 | L | 91.4 | Very high | 90.3 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -80.3 | -23.7 | 177.6 | -58 | -172.5 | 0 | 0 | 0 | 112.9 | D282 L285 R354 A355 I371 | D282-L357 HydrophobicContact CB-CD1 4.17Å; D282-L357 HydrophobicContact CB-CD2 3.7Å; L285-L357 HydrophobicContact CB-CD1 3.89Å; L285-L357 HydrophobicContact CD1-CD1 4.29Å; R354-L357 HydrophobicContact CB-CD1 4.1Å; R354-L357 HydrophobicContact CB-CG 4.3Å; R354-L357 HydrophobicContact CG-CD1 4.49Å; R354-L357 WeakPolarHBondContact O-CB 3.19Å; R354-L357 PolarHBondContact O-N 3.31Å; A355-L357 PolarHBondContact O-N 3.28Å; L357-I371 WeakPolarHBondContact O-CG2 3.45Å |
| 358 | V | 92.1 | Very high | 90 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -110.8 | -19.8 | -174.6 | -64.9 | 0 | 0 | 0 | 0 | 113.4 | F289 F350 L351 A355 V360 I371 H375 | F289-V358 HydrophobicContact CD1-CG1 3.68Å; F289-V358 HydrophobicContact CE1-CB 4.45Å; F289-V358 HydrophobicContact CE1-CG1 3.66Å; F289-V358 HydrophobicContact CG-CG1 4.19Å; F289-V358 HydrophobicContact CZ-CG1 4.15Å; F350-V358 HydrophobicContact CE1-CG1 3.75Å; L351-V358 HydrophobicContact CD2-CG2 3.87Å; A355-V358 VanDerWaalsContact O-CG2 3.25Å; A355-V358 WeakPolarHBondContact O-CG2 3.42Å; A355-V358 PolarHBondContact O-N 2.72Å; V358-V360 PolarHBondContact O-N 3.29Å; V358-I371 HydrophobicContact CB-CG2 4.39Å; V358-I371 HydrophobicContact CG1-CG2 4.38Å; V358-H375 HydrophobicContact CB-CB 4.05Å; V358-H375 PolarHBondContact O-ND1 3.47Å |
| 359 | E | 91.4 | Very high | 89.7 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | trans | -77.4 | 61.4 | 172.2 | -68.3 | 176.8 | 174.3 | 0 | 0 | 111.5 | A355 F436 R437 I440 Y441 | A355-E359 WeakPolarHBondContact O-CB 3.32Å; A355-E359 VanDerWaalsContact O-CG 3.31Å; A355-E359 WeakPolarHBondContact O-CG 3.38Å; A355-E359 PolarHBondContact O-N 2.83Å; E359-F436 WeakPolarHBondContact O-CE1 3.39Å; E359-R437 IonicContact OE1-CZ 3.31Å; E359-R437 IonicContact OE1-NE 2.74Å; E359-R437 PolarHBondContact OE1-NE 3.08Å; E359-R437 IonicContact OE1-NH2 3.58Å; E359-R437 PolarHBondContact OE1-NH2 2.65Å; E359-R437 VanDerWaalsContact OE2-CD 3.28Å; E359-R437 WeakPolarHBondContact OE2-CD 3.43Å; E359-R437 WeakPolarHBondContact OE2-CG 3.34Å; E359-R437 IonicContact OE2-CZ 2.83Å; E359-R437 IonicContact OE2-NE 3.7Å; E359-R437 PolarHBondContact OE2-NE 3.14Å; E359-R437 IonicContact OE2-NH2 2.87Å; E359-I440 HydrophobicContact CB-CD1 4.42Å; E359-Y441 HydrophobicContact CG-CE2 4.42Å; E359-Y441 WeakPolarHBondContact OE1-CE2 3.45Å; E359-Y441 PolarHBondContact OE1-OH 3.09Å | ||
| 360 | V | 89.7 | Confident | 89.5 | Confident | 37 Ų | 37 | 63 Ų | 63 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | trans | -104.7 | 149.1 | -179.4 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | V358 A362 A368 I371 | V358-V360 PolarHBondContact O-N 3.29Å; V360-A362 PolarHBondContact O-N 3.39Å; V360-A368 HydrophobicContact CB-CB 4.34Å; V360-A368 HydrophobicContact CG2-CB 4.02Å; V360-A368 VanDerWaalsContact CG2-O 3.32Å; V360-A368 WeakPolarHBondContact CG2-O 3.36Å; V360-I371 HydrophobicContact CG1-CG2 4.39Å; V360-I371 HydrophobicContact CG2-CB 3.79Å; V360-I371 HydrophobicContact CG2-CG2 3.6Å | ||
| 361 | R | 86.4 | Confident | 89.4 | Confident | 149 Ų | 149 | 63.7 Ų | 63.7 | 56% | 0.562 | 34% | 0.343 | S | S | * | . | trans | -74 | 117.5 | 174.1 | -74.5 | -173 | -177.7 | -158.9 | 2.4 | 110.4 | D363 A364 A368 F436 | R361-D363 WeakPolarHBondContact CB-OD1 3.26Å; R361-D363 PolarHBondContact O-N 2.66Å; R361-D363 VanDerWaalsContact O-N 3.13Å; R361-A364 HydrophobicContact CB-CB 4.47Å; R361-A364 VanDerWaalsContact O-CB 3.29Å; R361-A364 WeakPolarHBondContact O-CB 3.44Å; R361-A364 PolarHBondContact O-N 3.17Å; R361-A368 WeakPolarHBondContact O-CB 3.48Å; R361-F436 HydrophobicContact CB-CE2 4.38Å; R361-F436 HydrophobicContact CB-CZ 4.16Å; R361-F436 HydrophobicContact CG-CD2 4.02Å; R361-F436 HydrophobicContact CG-CE1 3.95Å; R361-F436 HydrophobicContact CG-CE2 3.38Å; R361-F436 HydrophobicContact CG-CZ 3.32Å | ||
| 362 | A | 81.8 | Confident | 89.2 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V360 | V360-A362 PolarHBondContact O-N 3.39Š|
| 363 | D | 84.5 | Confident | 89.1 | Confident | 140 Ų | 140 | 63.1 Ų | 63.1 | 75% | 0.749 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -9.5 | 177.9 | 59.9 | -35.9 | 0 | 0 | 0 | 113.7 | R361 | R361-D363 WeakPolarHBondContact CB-OD1 3.26Å; R361-D363 PolarHBondContact O-N 2.66Å; R361-D363 VanDerWaalsContact O-N 3.13Å |
| 364 | A | 81.6 | Confident | 89.1 | Confident | 77 Ų | 77 | 59 Ų | 59 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -70.5 | -38.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R361 A368 | R361-A364 HydrophobicContact CB-CB 4.47Å; R361-A364 VanDerWaalsContact O-CB 3.29Å; R361-A364 WeakPolarHBondContact O-CB 3.44Å; R361-A364 PolarHBondContact O-N 3.17Å; A364-A368 HydrophobicContact CB-CB 4.14Å |
| 365 | S | 87.7 | Confident | 89.2 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | trans | -165.6 | 166.9 | 179.4 | 72 | 0 | 0 | 0 | 0 | 111.7 | E367 A368 K369 | S365-E367 VanDerWaalsContact C-N 3.28Å; S365-E367 PolarHBondContact O-N 3.12Å; S365-A368 PolarHBondContact O-N 3.3Å; S365-A368 WeakPolarHBondContact OG-CB 3.47Å; S365-A368 PolarHBondContact OG-N 3.49Å; S365-K369 PolarHBondContact O-N 3.01Å | ||
| 366 | L | 86.8 | Confident | 89.3 | Confident | 130 Ų | 130 | 60.3 Ų | 60.3 | 68% | 0.681 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.9 | -39.2 | 173.6 | -175.1 | 65.9 | 0 | 0 | 0 | 111.7 | K369 E370 | L366-K369 WeakPolarHBondContact O-CB 3.43Å; L366-K369 PolarHBondContact O-N 2.97Å; L366-E370 PolarHBondContact O-N 2.81Å; L366-E370 VanDerWaalsContact O-N 3.15Å |
| 367 | E | 87.4 | Confident | 89.4 | Confident | 90 Ų | 90 | 59.5 Ų | 59.5 | 42% | 0.421 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 175 | -175.8 | 174.7 | -164.3 | 0 | 0 | 111.2 | S365 K369 E370 I371 | S365-E367 VanDerWaalsContact C-N 3.28Å; S365-E367 PolarHBondContact O-N 3.12Å; E367-K369 VanDerWaalsContact C-N 3.25Å; E367-K369 PolarHBondContact O-N 3.29Å; E367-E370 PolarHBondContact O-N 3.49Å; E367-E370 VanDerWaalsContact O-N 3.11Å; E367-I371 HydrophobicContact CG-CD1 4.01Å; E367-I371 VanDerWaalsContact O-CG1 3.31Å; E367-I371 WeakPolarHBondContact O-CG1 3.23Å; E367-I371 PolarHBondContact O-N 3.22Å |
| 368 | A | 88.4 | Confident | 89.4 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 7% | 0.066 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.5 | -33.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V360 R361 A364 S365 S372 | V360-A368 HydrophobicContact CB-CB 4.34Å; V360-A368 HydrophobicContact CG2-CB 4.02Å; V360-A368 VanDerWaalsContact CG2-O 3.32Å; V360-A368 WeakPolarHBondContact CG2-O 3.36Å; R361-A368 WeakPolarHBondContact O-CB 3.48Å; A364-A368 HydrophobicContact CB-CB 4.14Å; S365-A368 PolarHBondContact O-N 3.3Å; S365-A368 WeakPolarHBondContact OG-CB 3.47Å; S365-A368 PolarHBondContact OG-N 3.49Å; A368-S372 WeakPolarHBondContact O-CB 3.38Å; A368-S372 PolarHBondContact O-N 2.57Å |
| 369 | K | 90.3 | Very high | 89.5 | Confident | 133 Ų | 133 | 58.1 Ų | 58.1 | 58% | 0.578 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.7 | -40.4 | 173.4 | -171.5 | -179.9 | 179.7 | 179.4 | 0 | 112.3 | S365 L366 E367 S373 | S365-K369 PolarHBondContact O-N 3.01Å; L366-K369 WeakPolarHBondContact O-CB 3.43Å; L366-K369 PolarHBondContact O-N 2.97Å; E367-K369 VanDerWaalsContact C-N 3.25Å; E367-K369 PolarHBondContact O-N 3.29Å; K369-S373 VanDerWaalsContact O-CB 3.3Å; K369-S373 WeakPolarHBondContact O-CB 3.48Å; K369-S373 PolarHBondContact O-N 3.3Å |
| 370 | E | 91.2 | Very high | 89.6 | Confident | 88 Ų | 88 | 60.1 Ų | 60.1 | 41% | 0.411 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | 176 | -70.4 | 179.1 | -179.2 | 0 | 0 | 111.5 | L290 L366 E367 S373 A374 | L290-E370 HydrophobicContact CD2-CB 4.49Å; L366-E370 PolarHBondContact O-N 2.81Å; L366-E370 VanDerWaalsContact O-N 3.15Å; E367-E370 PolarHBondContact O-N 3.49Å; E367-E370 VanDerWaalsContact O-N 3.11Å; E370-S373 WeakPolarHBondContact O-CB 3.07Å; E370-S373 PolarHBondContact O-N 3.44Å; E370-A374 WeakPolarHBondContact O-CB 3.37Å; E370-A374 PolarHBondContact O-N 3.26Å |
| 371 | I | 92.5 | Very high | 89.7 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.7 | -49.8 | 176.4 | -64.4 | 165.5 | 0 | 0 | 0 | 110.9 | T286 L290 L357 V358 V360 E367 S373 A374 H375 | T286-I371 HydrophobicContact CG2-CD1 3.51Å; T286-I371 HydrophobicContact CG2-CG1 3.75Å; L290-I371 HydrophobicContact CD1-CG1 4.14Å; L290-I371 HydrophobicContact CD2-CG1 4.17Å; L290-I371 HydrophobicContact CG-CG1 4.44Å; L357-I371 WeakPolarHBondContact O-CG2 3.45Å; V358-I371 HydrophobicContact CB-CG2 4.39Å; V358-I371 HydrophobicContact CG1-CG2 4.38Å; V360-I371 HydrophobicContact CG1-CG2 4.39Å; V360-I371 HydrophobicContact CG2-CB 3.79Å; V360-I371 HydrophobicContact CG2-CG2 3.6Å; E367-I371 HydrophobicContact CG-CD1 4.01Å; E367-I371 VanDerWaalsContact O-CG1 3.31Å; E367-I371 WeakPolarHBondContact O-CG1 3.23Å; E367-I371 PolarHBondContact O-N 3.22Å; I371-S373 VanDerWaalsContact C-N 3.29Å; I371-S373 PolarHBondContact O-N 3.12Å; I371-A374 WeakPolarHBondContact O-CB 3.47Å; I371-A374 PolarHBondContact O-N 3.5Å; I371-A374 VanDerWaalsContact O-N 3.16Å; I371-H375 WeakPolarHBondContact O-CB 3.35Å; I371-H375 PolarHBondContact O-N 2.97Å |
| 372 | S | 91.8 | Very high | 90.1 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 178 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | A368 H375 N376 | A368-S372 WeakPolarHBondContact O-CB 3.38Å; A368-S372 PolarHBondContact O-N 2.57Å; S372-H375 PolarHBondContact O-N 3.49Å; S372-N376 PolarHBondContact O-N 3.45Å |
| 373 | S | 91.8 | Very high | 90.7 | Very high | 48 Ų | 48 | 49.3 Ų | 49.3 | 34% | 0.336 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.2 | -53.6 | 172.2 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | K369 E370 I371 H375 N376 Y377 | K369-S373 VanDerWaalsContact O-CB 3.3Å; K369-S373 WeakPolarHBondContact O-CB 3.48Å; K369-S373 PolarHBondContact O-N 3.3Å; E370-S373 WeakPolarHBondContact O-CB 3.07Å; E370-S373 PolarHBondContact O-N 3.44Å; I371-S373 VanDerWaalsContact C-N 3.29Å; I371-S373 PolarHBondContact O-N 3.12Å; S373-H375 VanDerWaalsContact C-N 3.26Å; S373-H375 PolarHBondContact O-N 2.9Å; S373-N376 WeakPolarHBondContact O-CB 3.5Å; S373-N376 PolarHBondContact O-N 3.26Å; S373-N376 VanDerWaalsContact O-N 3.13Å; S373-Y377 WeakPolarHBondContact O-CD2 3.36Å; S373-Y377 PolarHBondContact O-N 3.11Å; S373-Y377 WeakPolarHBondContact OG-CE2 3.36Å |
| 374 | A | 92.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.4 | -41.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F289 L290 T293 E370 I371 Y377 A378 | F289-A374 HydrophobicContact CD1-CB 4.09Å; F289-A374 HydrophobicContact CE1-CB 3.71Å; L290-A374 HydrophobicContact CD2-CB 3.75Å; T293-A374 HydrophobicContact CG2-CB 4.17Å; T293-A374 WeakPolarHBondContact OG1-CB 3.35Å; E370-A374 WeakPolarHBondContact O-CB 3.37Å; E370-A374 PolarHBondContact O-N 3.26Å; I371-A374 WeakPolarHBondContact O-CB 3.47Å; I371-A374 PolarHBondContact O-N 3.5Å; I371-A374 VanDerWaalsContact O-N 3.16Å; A374-Y377 PolarHBondContact O-N 3.27Å; A374-A378 PolarHBondContact O-N 3.3Å |
| 375 | H | 94.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -50.1 | 175.2 | -176.2 | -161.3 | 0 | 0 | 0 | 111.8 | V358 I371 S372 S373 Y377 A378 L379 Y441 | V358-H375 HydrophobicContact CB-CB 4.05Å; V358-H375 PolarHBondContact O-ND1 3.47Å; I371-H375 WeakPolarHBondContact O-CB 3.35Å; I371-H375 PolarHBondContact O-N 2.97Å; S372-H375 PolarHBondContact O-N 3.49Å; S373-H375 VanDerWaalsContact C-N 3.26Å; S373-H375 PolarHBondContact O-N 2.9Å; H375-Y377 VanDerWaalsContact C-N 3.28Å; H375-Y377 PolarHBondContact O-N 2.88Å; H375-A378 WeakPolarHBondContact O-CB 3.45Å; H375-A378 PolarHBondContact O-N 2.96Å; H375-A378 VanDerWaalsContact O-N 3.09Å; H375-L379 WeakPolarHBondContact O-CG 3.31Å; H375-L379 PolarHBondContact O-N 3.3Å; H375-Y441 AromaticContact CE1-CE1 3.88Å; H375-Y441 AromaticContact CE1-CZ 3.68Å; H375-Y441 PolarHBondContact CE1-OH 2.97Å; H375-Y441 AromaticContact NE2-CE1 3.71Å; H375-Y441 AromaticContact NE2-CZ 3.8Å; H375-Y441 PolarHBondContact NE2-OH 3.47Å |
| 376 | N | 92.4 | Very high | 92.1 | Very high | 66 Ų | 66 | 38.4 Ų | 38.4 | 35% | 0.353 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.3 | -42.9 | 176.7 | -174.1 | 82.2 | 0 | 0 | 0 | 111.9 | S372 S373 L379 M380 H444 | S372-N376 PolarHBondContact O-N 3.45Å; S373-N376 WeakPolarHBondContact O-CB 3.5Å; S373-N376 PolarHBondContact O-N 3.26Å; S373-N376 VanDerWaalsContact O-N 3.13Å; N376-L379 PolarHBondContact O-N 3.08Å; N376-M380 VanDerWaalsContact O-CG 3.32Å; N376-M380 WeakPolarHBondContact O-CG 3.15Å; N376-M380 PolarHBondContact O-N 3.3Å; N376-H444 PolarHBondContact OD1-CE1 3.49Å; N376-H444 PolarHBondContact OD1-NE2 3.11Å |
| 377 | Y | 90.6 | Very high | 92.4 | Very high | 68 Ų | 68 | 34.6 Ų | 34.6 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.8 | -39.5 | 176.3 | -78.5 | -81.9 | 0 | 0 | 0 | 112.9 | K297 C321 S373 A374 H375 L379 M380 Y381 | K297-Y377 HydrophobicContact CD-CD2 4.1Å; K297-Y377 HydrophobicContact CD-CE2 4.05Å; K297-Y377 HydrophobicContact CD-CG 4.34Å; K297-Y377 HydrophobicContact CG-CD1 4.45Å; C321-Y377 HydrophobicContact CB-CE1 4.2Å; S373-Y377 WeakPolarHBondContact O-CD2 3.36Å; S373-Y377 PolarHBondContact O-N 3.11Å; S373-Y377 WeakPolarHBondContact OG-CE2 3.36Å; A374-Y377 PolarHBondContact O-N 3.27Å; H375-Y377 VanDerWaalsContact C-N 3.28Å; H375-Y377 PolarHBondContact O-N 2.88Å; Y377-L379 VanDerWaalsContact C-N 3.34Å; Y377-L379 PolarHBondContact O-N 2.91Å; Y377-M380 PolarHBondContact O-N 2.97Å; Y377-Y381 WeakPolarHBondContact O-CD2 3.31Å; Y377-Y381 PolarHBondContact O-N 3.28Å |
| 378 | A | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F289 F347 L351 A374 H375 M380 Y381 M382 | F289-A378 HydrophobicContact CE2-CB 3.98Å; F289-A378 HydrophobicContact CZ-CB 3.61Å; F347-A378 HydrophobicContact CD1-CB 3.62Å; F347-A378 HydrophobicContact CE1-CB 3.59Å; F347-A378 HydrophobicContact CG-CB 4.19Å; F347-A378 HydrophobicContact CZ-CB 4.12Å; L351-A378 HydrophobicContact CD1-CB 4.35Å; A374-A378 PolarHBondContact O-N 3.3Å; H375-A378 WeakPolarHBondContact O-CB 3.45Å; H375-A378 PolarHBondContact O-N 2.96Å; H375-A378 VanDerWaalsContact O-N 3.09Å; A378-M380 PolarHBondContact O-N 2.91Å; A378-Y381 PolarHBondContact O-N 3.4Å; A378-M382 WeakPolarHBondContact O-CG 3.46Å; A378-M382 PolarHBondContact O-N 3.14Å |
| 379 | L | 94 | Very high | 92.8 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 175 | -62.8 | 173.7 | 0 | 0 | 0 | 112.1 | L351 H375 N376 Y377 M382 L383 Y400 W401 Y441 | L351-L379 HydrophobicContact CD1-CD2 4.01Å; H375-L379 WeakPolarHBondContact O-CG 3.31Å; H375-L379 PolarHBondContact O-N 3.3Å; N376-L379 PolarHBondContact O-N 3.08Å; Y377-L379 VanDerWaalsContact C-N 3.34Å; Y377-L379 PolarHBondContact O-N 2.91Å; L379-M382 PolarHBondContact O-N 2.74Å; L379-L383 WeakPolarHBondContact O-CG 3.14Å; L379-L383 PolarHBondContact O-N 3.43Å; L379-Y400 HydrophobicContact CD2-CE1 4.38Å; L379-Y400 WeakPolarHBondContact CD2-OH 3.36Å; L379-W401 HydrophobicContact CD2-CH2 4.24Å; L379-W401 HydrophobicContact CD2-CZ3 4.3Å; L379-Y441 HydrophobicContact CD1-CD1 3.74Å; L379-Y441 HydrophobicContact CD1-CE1 3.59Å; L379-Y441 HydrophobicContact CD2-CD1 4.32Å; L379-Y441 HydrophobicContact CD2-CE1 3.81Å; L379-Y441 HydrophobicContact CG-CE1 4.33Å |
| 380 | M | 92.6 | Very high | 93 | Very high | 71 Ų | 71 | 30.6 Ų | 30.6 | 35% | 0.35 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 174.5 | -70.6 | 179.3 | 73.3 | 0 | 0 | 112.5 | N376 Y377 A378 L383 K384 | N376-M380 VanDerWaalsContact O-CG 3.32Å; N376-M380 WeakPolarHBondContact O-CG 3.15Å; N376-M380 PolarHBondContact O-N 3.3Å; Y377-M380 PolarHBondContact O-N 2.97Å; A378-M380 PolarHBondContact O-N 2.91Å; M380-L383 PolarHBondContact O-N 3.14Å; M380-K384 WeakPolarHBondContact O-CG 3.44Å; M380-K384 PolarHBondContact O-N 3.24Å |
| 381 | Y | 92.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 173.7 | -79.2 | -66.5 | 0 | 0 | 0 | 111.1 | L296 L319 I325 F347 Y377 A378 L383 K384 I385 | L296-Y381 HydrophobicContact CB-CE2 4.3Å; L296-Y381 HydrophobicContact CD1-CE2 4.48Å; L319-Y381 HydrophobicContact CB-CE1 4.17Å; L319-Y381 PolarHBondContact O-OH 2.87Å; I325-Y381 HydrophobicContact CD1-CD1 3.96Å; F347-Y381 HydrophobicContact CE2-CD2 4.07Å; F347-Y381 HydrophobicContact CE2-CG 4.15Å; F347-Y381 HydrophobicContact CZ-CD2 4.29Å; Y377-Y381 WeakPolarHBondContact O-CD2 3.31Å; Y377-Y381 PolarHBondContact O-N 3.28Å; A378-Y381 PolarHBondContact O-N 3.4Å; Y381-L383 VanDerWaalsContact C-N 3.3Å; Y381-L383 PolarHBondContact O-N 3.37Å; Y381-K384 PolarHBondContact O-N 3.25Å; Y381-I385 WeakPolarHBondContact O-CB 3.32Å; Y381-I385 WeakPolarHBondContact O-CG1 3.49Å; Y381-I385 PolarHBondContact O-N 3.23Å |
| 382 | M | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.1 | -42.5 | 176.6 | -74.4 | -65 | -73 | 0 | 0 | 112 | F347 L351 A378 L379 I385 S386 C397 Y400 W401 | F347-M382 HydrophobicContact CB-CG 3.85Å; F347-M382 HydrophobicContact CB-SD 3.66Å; L351-M382 HydrophobicContact CD1-CG 4.46Å; A378-M382 WeakPolarHBondContact O-CG 3.46Å; A378-M382 PolarHBondContact O-N 3.14Å; L379-M382 PolarHBondContact O-N 2.74Å; M382-I385 PolarHBondContact O-N 3.3Å; M382-S386 WeakPolarHBondContact O-CB 3.36Å; M382-S386 PolarHBondContact O-N 3.39Å; M382-S386 PolarHBondContact O-OG 2.83Å; M382-C397 HydrophobicContact CE-CB 4.34Å; M382-Y400 HydrophobicContact CE-CD1 3.54Å; M382-Y400 HydrophobicContact CE-CE1 4.38Å; M382-Y400 HydrophobicContact CE-CG 3.9Å; M382-W401 HydrophobicContact CB-CH2 3.97Å; M382-W401 HydrophobicContact CB-CZ2 3.47Å; M382-W401 VanDerWaalsContact CB-CZ2 3.47Å |
| 383 | L | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64 | -46.5 | 176.4 | -72.6 | 168.4 | 0 | 0 | 0 | 111.7 | L379 M380 Y381 I385 S386 E387 W401 H444 Q447 L448 I451 | L379-L383 WeakPolarHBondContact O-CG 3.14Å; L379-L383 PolarHBondContact O-N 3.43Å; M380-L383 PolarHBondContact O-N 3.14Å; Y381-L383 VanDerWaalsContact C-N 3.3Å; Y381-L383 PolarHBondContact O-N 3.37Å; L383-I385 VanDerWaalsContact C-N 3.34Å; L383-I385 PolarHBondContact O-N 2.73Å; L383-S386 WeakPolarHBondContact O-CB 3.33Å; L383-S386 PolarHBondContact O-N 2.95Å; L383-E387 PolarHBondContact O-N 2.88Å; L383-W401 HydrophobicContact CD2-CH2 4.04Å; L383-W401 HydrophobicContact CD2-CZ2 3.69Å; L383-W401 HydrophobicContact CG-CH2 3.98Å; L383-W401 HydrophobicContact CG-CZ2 3.78Å; L383-H444 HydrophobicContact CD1-CB 3.99Å; L383-Q447 HydrophobicContact CD1-CB 4.21Å; L383-Q447 HydrophobicContact CD1-CG 4.35Å; L383-Q447 HydrophobicContact CD2-CB 4.49Å; L383-Q447 HydrophobicContact CD2-CG 4.49Å; L383-L448 HydrophobicContact CD2-CB 3.95Å; L383-L448 HydrophobicContact CD2-CD1 4.4Å; L383-I451 HydrophobicContact CB-CD1 4.4Å; L383-I451 HydrophobicContact CD2-CD1 4.04Å |
| 384 | K | 92.8 | Very high | 93.4 | Very high | 45 Ų | 45 | 31.4 Ų | 31.4 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.8 | -35.9 | 177.6 | -74 | -177.1 | 165.6 | -137.1 | 0 | 113.2 | C321 T323 I325 M380 Y381 S386 E387 | C321-K384 WeakPolarHBondContact O-CE 3.21Å; C321-K384 PolarHBondContact O-NZ 2.98Å; T323-K384 PolarHBondContact O-NZ 3.15Å; I325-K384 HydrophobicContact CB-CB 4.35Å; I325-K384 HydrophobicContact CD1-CB 3.62Å; I325-K384 HydrophobicContact CD1-CD 4.38Å; I325-K384 HydrophobicContact CG1-CB 4.02Å; M380-K384 WeakPolarHBondContact O-CG 3.44Å; M380-K384 PolarHBondContact O-N 3.24Å; Y381-K384 PolarHBondContact O-N 3.25Å; K384-S386 VanDerWaalsContact C-N 3.34Å; K384-E387 WeakPolarHBondContact O-CB 3.15Å; K384-E387 PolarHBondContact O-N 3Å |
| 385 | I | 94 | Very high | 93.5 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.9 | -35.9 | 174.8 | -62.7 | 163.9 | 0 | 0 | 0 | 110.2 | I325 I340 L343 A344 Y381 M382 L383 E387 V388 I393 | I325-I385 HydrophobicContact CD1-CG1 3.93Å; I325-I385 HydrophobicContact CG2-CG1 4.19Å; I340-I385 HydrophobicContact CG2-CG1 4.23Å; I340-I385 HydrophobicContact CG2-CG2 3.94Å; L343-I385 HydrophobicContact CB-CD1 4.46Å; L343-I385 HydrophobicContact CD2-CD1 4.16Å; L343-I385 HydrophobicContact CG-CD1 4.21Å; A344-I385 HydrophobicContact CB-CD1 4.45Å; A344-I385 HydrophobicContact CB-CG2 4.05Å; Y381-I385 WeakPolarHBondContact O-CB 3.32Å; Y381-I385 WeakPolarHBondContact O-CG1 3.49Å; Y381-I385 PolarHBondContact O-N 3.23Å; M382-I385 PolarHBondContact O-N 3.3Å; L383-I385 VanDerWaalsContact C-N 3.34Å; L383-I385 PolarHBondContact O-N 2.73Å; I385-E387 PolarHBondContact O-N 3.45Å; I385-E387 VanDerWaalsContact O-N 3.12Å; I385-V388 VanDerWaalsContact O-CB 3.25Å; I385-V388 WeakPolarHBondContact O-CB 3.35Å; I385-V388 VanDerWaalsContact O-CG2 3.27Å; I385-V388 WeakPolarHBondContact O-CG2 3.38Å; I385-V388 PolarHBondContact O-N 2.88Å; I385-I393 HydrophobicContact CG2-CG2 3.34Å |
| 386 | S | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.2 | -16.6 | 175.1 | -54.7 | 0 | 0 | 0 | 0 | 113.3 | M382 L383 K384 F394 C397 W401 | M382-S386 WeakPolarHBondContact O-CB 3.36Å; M382-S386 PolarHBondContact O-N 3.39Å; M382-S386 PolarHBondContact O-OG 2.83Å; L383-S386 WeakPolarHBondContact O-CB 3.33Å; L383-S386 PolarHBondContact O-N 2.95Å; K384-S386 VanDerWaalsContact C-N 3.34Å; S386-F394 VanDerWaalsContact O-CD2 3.31Å; S386-F394 WeakPolarHBondContact O-CD2 3.44Å; S386-C397 VanDerWaalsContact OG-CB 3.29Å; S386-C397 WeakPolarHBondContact OG-CB 3.41Å; S386-W401 PolarHBondContact OG-NE1 3.27Å |
| 387 | E | 94 | Very high | 93.7 | Very high | 50 Ų | 50 | 32.3 Ų | 32.3 | 23% | 0.234 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -15.8 | 173.7 | -70.8 | 177.1 | -178.7 | 0 | 0 | 113.1 | R326 L383 K384 I385 I451 R455 | R326-E387 VanDerWaalsContact CZ-O 3.24Å; R326-E387 PolarHBondContact NE-O 3.1Å; R326-E387 PolarHBondContact NH2-O 3.08Å; L383-E387 PolarHBondContact O-N 2.88Å; K384-E387 WeakPolarHBondContact O-CB 3.15Å; K384-E387 PolarHBondContact O-N 3Å; I385-E387 PolarHBondContact O-N 3.45Å; I385-E387 VanDerWaalsContact O-N 3.12Å; E387-I451 HydrophobicContact CG-CD1 3.88Å; E387-I451 HydrophobicContact CG-CG1 4.08Å; E387-R455 PolarHBondContact O-NH1 3.44Å |
| 388 | V | 92.9 | Very high | 94 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -60.4 | 136.6 | -179.7 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | I325 Y329 I385 D390 I393 R455 | I325-V388 HydrophobicContact CG2-CG2 3.81Å; Y329-V388 HydrophobicContact CD1-CG1 3.4Å; Y329-V388 HydrophobicContact CD2-CG1 4.03Å; Y329-V388 HydrophobicContact CE1-CG1 3.86Å; Y329-V388 HydrophobicContact CE2-CG1 4.46Å; Y329-V388 HydrophobicContact CG-CG1 3.48Å; Y329-V388 VanDerWaalsContact CG-CG1 3.48Å; I385-V388 VanDerWaalsContact O-CB 3.25Å; I385-V388 WeakPolarHBondContact O-CB 3.35Å; I385-V388 VanDerWaalsContact O-CG2 3.27Å; I385-V388 WeakPolarHBondContact O-CG2 3.38Å; I385-V388 PolarHBondContact O-N 2.88Å; V388-D390 HydrophobicContact CG1-CB 3.9Å; V388-D390 PolarHBondContact O-N 2.87Å; V388-I393 HydrophobicContact CG1-CD1 4.4Å; V388-R455 VanDerWaalsContact O-CZ 3.29Å; V388-R455 PolarHBondContact O-NH1 3.32Å; V388-R455 PolarHBondContact O-NH2 3.5Å |
| 389 | E | 91.2 | Very high | 94.1 | Very high | 104 Ų | 104 | 33.7 Ų | 33.7 | 49% | 0.486 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -84.9 | 50.2 | -179.1 | -62 | -170.9 | 151.6 | 0 | 0 | 111.9 | R326 K524 | R326-E389 HydrophobicContact CG-CG 4.48Å; E389-K524 IonicContact OE1-NZ 3.64Å |
| 390 | D | 93.1 | Very high | 94.2 | Very high | 43 Ų | 43 | 33.9 Ų | 33.9 | 23% | 0.23 | 17% | 0.168 | C | C | . | . | trans | -127.1 | 125.9 | 175 | -175.7 | -67.4 | 0 | 0 | 0 | 108.8 | Y329 V388 E392 I393 F394 | Y329-D390 HydrophobicContact CE1-CB 3.77Å; Y329-D390 PolarHBondContact OH-OD2 3.23Å; V388-D390 HydrophobicContact CG1-CB 3.9Å; V388-D390 PolarHBondContact O-N 2.87Å; D390-E392 PolarHBondContact OD1-N 3.22Å; D390-I393 HydrophobicContact CB-CB 4.18Å; D390-I393 HydrophobicContact CB-CD1 4.19Å; D390-I393 HydrophobicContact CB-CG1 4.26Å; D390-I393 PolarHBondContact OD1-N 3.49Å; D390-F394 VanDerWaalsContact O-CB 3.3Å; D390-F394 WeakPolarHBondContact O-CB 3.18Å; D390-F394 PolarHBondContact O-N 2.98Å | ||
| 391 | V | 93 | Very high | 94.5 | Very high | 80 Ų | 80 | 30.6 Ų | 30.6 | 49% | 0.485 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -68.2 | -38.1 | -173.1 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | F394 K395 L485 | V391-F394 PolarHBondContact O-N 3.43Å; V391-K395 HydrophobicContact CG1-CD 4.22Å; V391-K395 HydrophobicContact CG1-CG 4.49Å; V391-K395 VanDerWaalsContact O-CG 3.3Å; V391-K395 WeakPolarHBondContact O-CG 3.36Å; V391-K395 PolarHBondContact O-N 3.42Å; V391-L485 HydrophobicContact CG1-CD2 4.32Å |
| 392 | E | 92.8 | Very high | 94.7 | Very high | 111 Ų | 111 | 31.5 Ų | 31.5 | 52% | 0.519 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -72.8 | -40.5 | -177.1 | -63.8 | -53.4 | 124.4 | 0 | 0 | 111.3 | D390 F394 K395 I396 | D390-E392 PolarHBondContact OD1-N 3.22Å; E392-F394 VanDerWaalsContact C-N 3.32Å; E392-F394 PolarHBondContact O-N 3.27Å; E392-K395 PolarHBondContact O-N 2.94Å; E392-K395 IonicContact OE1-NZ 4Å; E392-K395 PolarHBondContact OE1-NZ 3.21Å; E392-K395 IonicContact OE2-NZ 3.51Å; E392-I396 WeakPolarHBondContact O-CG1 3.17Å; E392-I396 PolarHBondContact O-N 3.24Å; E392-I396 VanDerWaalsContact O-N 3.12Å |
| 393 | I | 94 | Very high | 94.8 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 173 | -65.3 | -179.6 | 0 | 0 | 0 | 111.3 | Y329 I340 I385 V388 D390 I396 C397 | Y329-I393 HydrophobicContact CD2-CD1 3.89Å; Y329-I393 HydrophobicContact CE1-CD1 4.37Å; Y329-I393 HydrophobicContact CE2-CD1 3.12Å; Y329-I393 VanDerWaalsContact CZ-CD1 3.4Å; Y329-I393 WeakPolarHBondContact OH-CD1 3.45Å; I340-I393 HydrophobicContact CG2-CD1 4.3Å; I385-I393 HydrophobicContact CG2-CG2 3.34Å; V388-I393 HydrophobicContact CG1-CD1 4.4Å; D390-I393 HydrophobicContact CB-CB 4.18Å; D390-I393 HydrophobicContact CB-CD1 4.19Å; D390-I393 HydrophobicContact CB-CG1 4.26Å; D390-I393 PolarHBondContact OD1-N 3.49Å; I393-I396 PolarHBondContact O-N 3.24Å; I393-C397 PolarHBondContact O-N 3.43Å; I393-C397 VanDerWaalsContact O-N 3.1Å; I393-C397 PolarHBondContact O-SG 3.34Å |
| 394 | F | 95.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.022 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 177.5 | -173.3 | -101.8 | 0 | 0 | 0 | 112 | S386 D390 V391 E392 I396 C397 L398 I451 I452 R455 L485 M489 | S386-F394 VanDerWaalsContact O-CD2 3.31Å; S386-F394 WeakPolarHBondContact O-CD2 3.44Å; D390-F394 VanDerWaalsContact O-CB 3.3Å; D390-F394 WeakPolarHBondContact O-CB 3.18Å; D390-F394 PolarHBondContact O-N 2.98Å; V391-F394 PolarHBondContact O-N 3.43Å; E392-F394 VanDerWaalsContact C-N 3.32Å; E392-F394 PolarHBondContact O-N 3.27Å; F394-I396 PolarHBondContact O-N 2.94Å; F394-C397 PolarHBondContact O-N 3.24Å; F394-L398 HydrophobicContact CE1-CB 4.43Å; F394-L398 HydrophobicContact CE1-CD2 4.18Å; F394-L398 WeakPolarHBondContact O-CB 3.49Å; F394-L398 PolarHBondContact O-N 3.22Å; F394-I451 HydrophobicContact CE2-CG2 4.28Å; F394-I452 HydrophobicContact CZ-CD1 4.03Å; F394-R455 HydrophobicContact CE2-CB 4.35Å; F394-R455 HydrophobicContact CE2-CG 4.48Å; F394-R455 HydrophobicContact CZ-CB 4.12Å; F394-L485 HydrophobicContact CD1-CD1 4.13Å; F394-L485 HydrophobicContact CE1-CD1 4.27Å; F394-M489 HydrophobicContact CE1-CE 3.79Å; F394-M489 HydrophobicContact CE1-CG 4.16Å; F394-M489 HydrophobicContact CE1-SD 3.72Å; F394-M489 HydrophobicContact CZ-CE 3.69Å; F394-M489 HydrophobicContact CZ-SD 4.27Å |
| 395 | K | 95.2 | Very high | 94.9 | Very high | 51 Ų | 51 | 31.8 Ų | 31.8 | 22% | 0.222 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.4 | -47.3 | 173.5 | -75.9 | 169.1 | -179.7 | 170.1 | 0 | 111.4 | V391 E392 C397 L398 D399 L485 | V391-K395 HydrophobicContact CG1-CD 4.22Å; V391-K395 HydrophobicContact CG1-CG 4.49Å; V391-K395 VanDerWaalsContact O-CG 3.3Å; V391-K395 WeakPolarHBondContact O-CG 3.36Å; V391-K395 PolarHBondContact O-N 3.42Å; E392-K395 PolarHBondContact O-N 2.94Å; E392-K395 IonicContact OE1-NZ 4Å; E392-K395 PolarHBondContact OE1-NZ 3.21Å; E392-K395 IonicContact OE2-NZ 3.51Å; K395-C397 VanDerWaalsContact C-N 3.32Å; K395-C397 PolarHBondContact O-N 3.21Å; K395-L398 PolarHBondContact O-N 3.17Å; K395-D399 PolarHBondContact O-N 3.3Å; K395-L485 HydrophobicContact CG-CD1 4.11Å |
| 396 | I | 93.7 | Very high | 94.8 | Very high | 38 Ų | 38 | 32.2 Ų | 32.2 | 20% | 0.195 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.6 | -46.2 | 176.5 | -66.2 | 162.7 | 0 | 0 | 0 | 111.3 | A344 L345 E392 I393 F394 | A344-I396 HydrophobicContact CB-CG2 3.83Å; L345-I396 HydrophobicContact CD2-CD1 4.02Å; L345-I396 HydrophobicContact CD2-CG1 4.08Å; L345-I396 HydrophobicContact CD2-CG2 3.76Å; L345-I396 HydrophobicContact CG-CD1 4.09Å; L345-I396 HydrophobicContact CG-CG2 4.1Å; E392-I396 WeakPolarHBondContact O-CG1 3.17Å; E392-I396 PolarHBondContact O-N 3.24Å; E392-I396 VanDerWaalsContact O-N 3.12Å; I393-I396 PolarHBondContact O-N 3.24Å; F394-I396 PolarHBondContact O-N 2.94Å |
| 397 | C | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.2 | -42.3 | 178.8 | -63 | 0 | 0 | 0 | 0 | 112 | M382 S386 I393 F394 K395 D399 Y400 W401 | M382-C397 HydrophobicContact CE-CB 4.34Å; S386-C397 VanDerWaalsContact OG-CB 3.29Å; S386-C397 WeakPolarHBondContact OG-CB 3.41Å; I393-C397 PolarHBondContact O-N 3.43Å; I393-C397 VanDerWaalsContact O-N 3.1Å; I393-C397 PolarHBondContact O-SG 3.34Å; F394-C397 PolarHBondContact O-N 3.24Å; K395-C397 VanDerWaalsContact C-N 3.32Å; K395-C397 PolarHBondContact O-N 3.21Å; C397-D399 VanDerWaalsContact C-N 3.33Å; C397-D399 PolarHBondContact O-N 2.94Å; C397-Y400 PolarHBondContact O-N 3.08Å; C397-W401 PolarHBondContact O-N 3.42Å |
| 398 | L | 97.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.4 | -39.7 | -179 | -179 | 65 | 0 | 0 | 0 | 111.5 | F394 K395 Y400 W401 N402 I452 L485 T488 M489 T492 | F394-L398 HydrophobicContact CE1-CB 4.43Å; F394-L398 HydrophobicContact CE1-CD2 4.18Å; F394-L398 WeakPolarHBondContact O-CB 3.49Å; F394-L398 PolarHBondContact O-N 3.22Å; K395-L398 PolarHBondContact O-N 3.17Å; L398-Y400 VanDerWaalsContact C-N 3.3Å; L398-Y400 PolarHBondContact O-N 3.39Å; L398-W401 PolarHBondContact O-N 3.21Å; L398-N402 WeakPolarHBondContact O-CB 3.37Å; L398-N402 PolarHBondContact O-N 3.1Å; L398-I452 HydrophobicContact CD1-CD1 3.78Å; L398-L485 HydrophobicContact CD2-CD1 3.56Å; L398-T488 HydrophobicContact CD2-CG2 3.74Å; L398-T488 HydrophobicContact CG-CG2 3.81Å; L398-M489 HydrophobicContact CD1-CG 4.22Å; L398-M489 HydrophobicContact CD2-CG 3.53Å; L398-T492 HydrophobicContact CD1-CG2 4.27Å |
| 399 | D | 95.6 | Very high | 94.4 | Very high | 96 Ų | 96 | 33.3 Ų | 33.3 | 51% | 0.513 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 176.2 | -75.7 | -12.7 | 0 | 0 | 0 | 111.9 | K395 C397 W403 | K395-D399 PolarHBondContact O-N 3.3Å; C397-D399 VanDerWaalsContact C-N 3.33Å; C397-D399 PolarHBondContact O-N 2.94Å; D399-W403 WeakPolarHBondContact O-CB 3.19Å; D399-W403 PolarHBondContact O-N 3.05Å |
| 400 | Y | 96.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 2% | 0.02 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.8 | -47.4 | 173.2 | 168.2 | -104.1 | 0 | 0 | 0 | 111.8 | L351 L379 M382 C397 L398 N402 W403 L404 | L351-Y400 HydrophobicContact CB-CD2 4.18Å; L351-Y400 HydrophobicContact CB-CE2 3.32Å; L351-Y400 HydrophobicContact CD1-CE1 4.16Å; L351-Y400 HydrophobicContact CD1-CE2 4.18Å; L351-Y400 WeakPolarHBondContact CD1-OH 3.05Å; L351-Y400 HydrophobicContact CG-CE2 4.39Å; L379-Y400 HydrophobicContact CD2-CE1 4.38Å; L379-Y400 WeakPolarHBondContact CD2-OH 3.36Å; M382-Y400 HydrophobicContact CE-CD1 3.54Å; M382-Y400 HydrophobicContact CE-CE1 4.38Å; M382-Y400 HydrophobicContact CE-CG 3.9Å; C397-Y400 PolarHBondContact O-N 3.08Å; L398-Y400 VanDerWaalsContact C-N 3.3Å; L398-Y400 PolarHBondContact O-N 3.39Å; Y400-N402 PolarHBondContact O-N 2.93Å; Y400-W403 HydrophobicContact CD2-CE3 4.05Å; Y400-W403 HydrophobicContact CD2-CZ3 4.38Å; Y400-W403 AromaticContact CE2-CE3 3.91Å; Y400-W403 HydrophobicContact CE2-CE3 3.91Å; Y400-W403 AromaticContact CE2-CZ3 3.82Å; Y400-W403 HydrophobicContact CE2-CZ3 3.82Å; Y400-W403 PolarHBondContact O-N 3.18Å; Y400-L404 HydrophobicContact CE1-CD2 4.32Å; Y400-L404 PolarHBondContact O-N 2.94Å |
| 401 | W | 97.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | -178.3 | -69.4 | 131.1 | 0 | 0 | 0 | 112.4 | L379 M382 L383 S386 C397 L398 L404 V405 L448 T492 | L379-W401 HydrophobicContact CD2-CH2 4.24Å; L379-W401 HydrophobicContact CD2-CZ3 4.3Å; M382-W401 HydrophobicContact CB-CH2 3.97Å; M382-W401 HydrophobicContact CB-CZ2 3.47Å; M382-W401 VanDerWaalsContact CB-CZ2 3.47Å; L383-W401 HydrophobicContact CD2-CH2 4.04Å; L383-W401 HydrophobicContact CD2-CZ2 3.69Å; L383-W401 HydrophobicContact CG-CH2 3.98Å; L383-W401 HydrophobicContact CG-CZ2 3.78Å; S386-W401 PolarHBondContact OG-NE1 3.27Å; C397-W401 PolarHBondContact O-N 3.42Å; L398-W401 PolarHBondContact O-N 3.21Å; W401-L404 HydrophobicContact CE3-CD2 3.82Å; W401-L404 HydrophobicContact CZ3-CD2 3.73Å; W401-L404 PolarHBondContact O-N 3.41Å; W401-V405 WeakPolarHBondContact O-CG1 3.45Å; W401-V405 WeakPolarHBondContact O-CG2 3.44Å; W401-V405 PolarHBondContact O-N 3.4Å; W401-L448 HydrophobicContact CB-CD1 4.14Å; W401-L448 HydrophobicContact CB-CD2 3.94Å; W401-L448 HydrophobicContact CD2-CD1 3.79Å; W401-L448 HydrophobicContact CD2-CD2 3.78Å; W401-L448 HydrophobicContact CD2-CG 4.41Å; W401-L448 HydrophobicContact CE3-CD2 3.73Å; W401-L448 HydrophobicContact CG-CD1 3.57Å; W401-L448 HydrophobicContact CG-CD2 3.89Å; W401-L448 HydrophobicContact CG-CG 4.4Å; W401-L448 HydrophobicContact CZ3-CD2 4.48Å; W401-T492 HydrophobicContact CB-CG2 4.41Å |
| 402 | N | 96.5 | Very high | 92.6 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 13% | 0.134 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.2 | -49.2 | 175.3 | -177.1 | -90.5 | 0 | 0 | 0 | 111.2 | L398 Y400 L404 V405 C406 T488 E491 T492 | L398-N402 WeakPolarHBondContact O-CB 3.37Å; L398-N402 PolarHBondContact O-N 3.1Å; Y400-N402 PolarHBondContact O-N 2.93Å; N402-L404 PolarHBondContact O-N 3.36Å; N402-V405 WeakPolarHBondContact O-CG2 3.23Å; N402-C406 WeakPolarHBondContact O-CB 3.25Å; N402-C406 PolarHBondContact O-N 3.26Å; N402-T488 HydrophobicContact CB-CG2 4.23Å; N402-T488 PolarHBondContact ND2-O 3.38Å; N402-E491 VanDerWaalsContact ND2-CG 3.32Å; N402-E491 WeakPolarHBondContact ND2-CG 3.5Å; N402-T492 WeakPolarHBondContact CB-OG1 3.32Å; N402-T492 PolarHBondContact ND2-OG1 3.49Å |
| 403 | W | 95.6 | Very high | 91.3 | Very high | 51 Ų | 51 | 32.6 Ų | 32.6 | 19% | 0.193 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.5 | -49.2 | 174.5 | 169.8 | 82.8 | 0 | 0 | 0 | 111.7 | K352 A355 D399 Y400 V405 C406 E407 | K352-W403 HydrophobicContact CB-CD2 4.35Å; K352-W403 HydrophobicContact CB-CE3 4.27Å; K352-W403 HydrophobicContact CB-CZ3 4.42Å; K352-W403 HydrophobicContact CD-CD2 4.44Å; K352-W403 HydrophobicContact CD-CG 4.26Å; K352-W403 HydrophobicContact CG-CD2 3.79Å; K352-W403 HydrophobicContact CG-CE3 4.21Å; K352-W403 HydrophobicContact CG-CG 4.09Å; K352-W403 HydrophobicContact CG-CZ2 4.22Å; K352-W403 WeakPolarHBondContact O-CZ2 3.38Å; A355-W403 HydrophobicContact CB-CH2 4.05Å; D399-W403 WeakPolarHBondContact O-CB 3.19Å; D399-W403 PolarHBondContact O-N 3.05Å; Y400-W403 HydrophobicContact CD2-CE3 4.05Å; Y400-W403 HydrophobicContact CD2-CZ3 4.38Å; Y400-W403 AromaticContact CE2-CE3 3.91Å; Y400-W403 HydrophobicContact CE2-CE3 3.91Å; Y400-W403 AromaticContact CE2-CZ3 3.82Å; Y400-W403 HydrophobicContact CE2-CZ3 3.82Å; Y400-W403 PolarHBondContact O-N 3.18Å; W403-V405 PolarHBondContact O-N 3.03Å; W403-C406 PolarHBondContact O-N 3.27Å; W403-E407 HydrophobicContact CD2-CG 4.3Å; W403-E407 HydrophobicContact CZ2-CG 4.03Å; W403-E407 WeakPolarHBondContact O-CG 3.49Å; W403-E407 PolarHBondContact O-N 3.02Å |
| 404 | L | 95.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.7 | -50.2 | -177.7 | 176.1 | 66 | 0 | 0 | 0 | 111.5 | Y400 W401 N402 C406 E407 L408 Y441 | Y400-L404 HydrophobicContact CE1-CD2 4.32Å; Y400-L404 PolarHBondContact O-N 2.94Å; W401-L404 HydrophobicContact CE3-CD2 3.82Å; W401-L404 HydrophobicContact CZ3-CD2 3.73Å; W401-L404 PolarHBondContact O-N 3.41Å; N402-L404 PolarHBondContact O-N 3.36Å; L404-C406 VanDerWaalsContact C-N 3.3Å; L404-C406 PolarHBondContact O-N 2.99Å; L404-E407 PolarHBondContact O-N 3.1Å; L404-L408 HydrophobicContact CD1-CD1 4.14Å; L404-L408 HydrophobicContact CD1-CG 4.21Å; L404-L408 HydrophobicContact CG-CD1 4.05Å; L404-L408 HydrophobicContact CG-CG 4.47Å; L404-L408 VanDerWaalsContact O-CG 3.3Å; L404-L408 WeakPolarHBondContact O-CG 3.43Å; L404-L408 PolarHBondContact O-N 3.14Å; L404-Y441 HydrophobicContact CD1-CD1 4.33Å; L404-Y441 HydrophobicContact CD1-CD2 4.2Å; L404-Y441 HydrophobicContact CD1-CE1 3.95Å; L404-Y441 HydrophobicContact CD1-CE2 3.84Å; L404-Y441 HydrophobicContact CD1-CG 4.45Å; L404-Y441 HydrophobicContact CD2-CD1 3.82Å; L404-Y441 HydrophobicContact CD2-CE1 3.9Å; L404-Y441 HydrophobicContact CD2-CG 4.35Å |
| 405 | V | 95.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.7 | -30.9 | -176.9 | -59.2 | 0 | 0 | 0 | 0 | 112 | W401 N402 W403 Y409 L445 L448 T492 Y495 L496 L499 | W401-V405 WeakPolarHBondContact O-CG1 3.45Å; W401-V405 WeakPolarHBondContact O-CG2 3.44Å; W401-V405 PolarHBondContact O-N 3.4Å; N402-V405 WeakPolarHBondContact O-CG2 3.23Å; W403-V405 PolarHBondContact O-N 3.03Å; V405-Y409 VanDerWaalsContact O-CB 3.28Å; V405-Y409 WeakPolarHBondContact O-CB 3.33Å; V405-Y409 PolarHBondContact O-N 2.79Å; V405-L445 HydrophobicContact CG1-CD2 4.06Å; V405-L448 HydrophobicContact CG1-CD2 4.22Å; V405-T492 HydrophobicContact CG2-CG2 3.96Å; V405-Y495 HydrophobicContact CG2-CD2 3.92Å; V405-Y495 HydrophobicContact CG2-CG 4.11Å; V405-L496 HydrophobicContact CG1-CD2 3.57Å; V405-L496 HydrophobicContact CG1-CG 3.89Å; V405-L499 HydrophobicContact CB-CD1 4.12Å; V405-L499 HydrophobicContact CG1-CD1 4.36Å |
| 406 | C | 92.4 | Very high | 84.9 | Confident | 10 Ų | 10 | 45.7 Ų | 45.7 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.6 | -46.9 | 172.2 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | N402 W403 L404 Y409 R410 Y495 | N402-C406 WeakPolarHBondContact O-CB 3.25Å; N402-C406 PolarHBondContact O-N 3.26Å; W403-C406 PolarHBondContact O-N 3.27Å; L404-C406 VanDerWaalsContact C-N 3.3Å; L404-C406 PolarHBondContact O-N 2.99Å; C406-Y409 PolarHBondContact O-N 3.05Å; C406-R410 WeakPolarHBondContact O-CG 3.38Å; C406-R410 PolarHBondContact O-N 3.21Å; C406-R410 PolarHBondContact SG-NE 2.72Å; C406-Y495 HydrophobicContact CB-CD2 4.08Å; C406-Y495 HydrophobicContact CB-CE2 3.68Å |
| 407 | E | 91.4 | Very high | 82.2 | Confident | 52 Ų | 52 | 47.6 Ų | 47.6 | 24% | 0.243 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -44.3 | 177 | -71.2 | -64.2 | 110.9 | 0 | 0 | 111.9 | W403 L404 Y409 R410 E411 | W403-E407 HydrophobicContact CD2-CG 4.3Å; W403-E407 HydrophobicContact CZ2-CG 4.03Å; W403-E407 WeakPolarHBondContact O-CG 3.49Å; W403-E407 PolarHBondContact O-N 3.02Å; L404-E407 PolarHBondContact O-N 3.1Å; E407-Y409 VanDerWaalsContact C-N 3.25Å; E407-Y409 PolarHBondContact O-N 3.4Å; E407-R410 PolarHBondContact O-N 2.98Å; E407-R410 IonicContact OE1-CZ 2.75Å; E407-R410 IonicContact OE1-NE 3.03Å; E407-R410 IonicContact OE1-NH1 2.78Å; E407-R410 PolarHBondContact OE1-NH1 3.15Å; E407-E411 PolarHBondContact O-N 3Å; E407-E411 VanDerWaalsContact O-N 3.12Å |
| 408 | L | 92.2 | Very high | 79.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -31.4 | 175.3 | -68 | 177.3 | 0 | 0 | 0 | 112.8 | L404 R437 R438 Y441 L445 L499 | L404-L408 HydrophobicContact CD1-CD1 4.14Å; L404-L408 HydrophobicContact CD1-CG 4.21Å; L404-L408 HydrophobicContact CG-CD1 4.05Å; L404-L408 HydrophobicContact CG-CG 4.47Å; L404-L408 VanDerWaalsContact O-CG 3.3Å; L404-L408 WeakPolarHBondContact O-CG 3.43Å; L404-L408 PolarHBondContact O-N 3.14Å; L408-R437 HydrophobicContact CD2-CB 3.7Å; L408-R438 HydrophobicContact CD2-CG 4.4Å; L408-R438 PolarHBondContact O-NE 3.33Å; L408-R438 PolarHBondContact O-NH2 3.45Å; L408-Y441 HydrophobicContact CD1-CD2 3.9Å; L408-Y441 HydrophobicContact CD1-CG 4.1Å; L408-Y441 HydrophobicContact CD2-CD2 3.85Å; L408-Y441 HydrophobicContact CD2-CE2 4.32Å; L408-Y441 HydrophobicContact CG-CD2 4.41Å; L408-L445 HydrophobicContact CD1-CD1 4.09Å; L408-L445 HydrophobicContact CD1-CD2 4.35Å; L408-L499 HydrophobicContact CB-CD1 4.08Å; L408-L499 HydrophobicContact CB-CD2 4.06Å; L408-L499 HydrophobicContact CD1-CD1 4.47Å |
| 409 | Y | 89.6 | Confident | 76.3 | Confident | 22 Ų | 22 | 56 Ų | 56 | 9% | 0.086 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.3 | -46.8 | 173.5 | 177.7 | -95 | 0 | 0 | 0 | 111 | V405 C406 E407 E411 M412 P413 Y495 H498 V1093 | V405-Y409 VanDerWaalsContact O-CB 3.28Å; V405-Y409 WeakPolarHBondContact O-CB 3.33Å; V405-Y409 PolarHBondContact O-N 2.79Å; C406-Y409 PolarHBondContact O-N 3.05Å; E407-Y409 VanDerWaalsContact C-N 3.25Å; E407-Y409 PolarHBondContact O-N 3.4Å; Y409-E411 VanDerWaalsContact C-N 3.29Å; Y409-E411 PolarHBondContact O-N 3.45Å; Y409-M412 CarbonylContact O-C 3.58Å; Y409-M412 PolarHBondContact O-N 2.94Å; Y409-P413 HydrophobicContact CE1-CB 4.11Å; Y409-P413 WeakPolarHBondContact O-CA 3.25Å; Y409-P413 WeakPolarHBondContact O-CD 3.45Å; Y409-Y495 AromaticContact CD1-CD1 3.84Å; Y409-Y495 HydrophobicContact CD1-CD1 3.84Å; Y409-Y495 AromaticContact CD1-CE1 3.66Å; Y409-Y495 HydrophobicContact CD1-CE1 3.66Å; Y409-Y495 HydrophobicContact CD2-CD1 4.18Å; Y409-Y495 HydrophobicContact CE1-CE1 4.28Å; Y409-Y495 AromaticContact CG-CD1 3.6Å; Y409-Y495 HydrophobicContact CG-CD1 3.6Å; Y409-Y495 AromaticContact CG-CE1 3.94Å; Y409-Y495 HydrophobicContact CG-CE1 3.94Å; Y409-H498 HydrophobicContact CD2-CB 3.62Å; Y409-H498 HydrophobicContact CE2-CB 3.5Å; Y409-H498 AromaticContact CE2-CD2 3.86Å; Y409-H498 AromaticContact CE2-CG 3.68Å; Y409-V1093 HydrophobicContact CD1-CG2 4.41Å; Y409-V1093 HydrophobicContact CE1-CB 4.45Å; Y409-V1093 HydrophobicContact CE1-CG1 4.05Å; Y409-V1093 HydrophobicContact CE1-CG2 3.61Å; Y409-V1093 HydrophobicContact CE2-CG1 4.48Å |
| 410 | R | 86.5 | Confident | 73.8 | Confident | 142 Ų | 142 | 59.1 Ų | 59.1 | 54% | 0.536 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -31.9 | 179.8 | -75.5 | 172.9 | -179.9 | 178.6 | -3.1 | 114.1 | C406 E407 M412 P413 | C406-R410 WeakPolarHBondContact O-CG 3.38Å; C406-R410 PolarHBondContact O-N 3.21Å; C406-R410 PolarHBondContact SG-NE 2.72Å; E407-R410 PolarHBondContact O-N 2.98Å; E407-R410 IonicContact OE1-CZ 2.75Å; E407-R410 IonicContact OE1-NE 3.03Å; E407-R410 IonicContact OE1-NH1 2.78Å; E407-R410 PolarHBondContact OE1-NH1 3.15Å; R410-M412 VanDerWaalsContact C-N 3.26Å; R410-M412 PolarHBondContact O-N 2.94Å; R410-P413 WeakPolarHBondContact O-CD 3.27Å |
| 411 | E | 82.9 | Confident | 71.7 | Confident | 90 Ų | 90 | 64.6 Ų | 64.6 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.5 | -34.3 | 176.9 | -77.3 | -171.9 | 174.8 | 0 | 0 | 113.6 | E407 Y409 S435 R437 | E407-E411 PolarHBondContact O-N 3Å; E407-E411 VanDerWaalsContact O-N 3.12Å; Y409-E411 VanDerWaalsContact C-N 3.29Å; Y409-E411 PolarHBondContact O-N 3.45Å; E411-S435 PolarHBondContact OE2-OG 3.28Å; E411-R437 WeakPolarHBondContact OE1-CD 3.35Å; E411-R437 IonicContact OE1-CZ 2.82Å; E411-R437 IonicContact OE1-NE 3.86Å; E411-R437 IonicContact OE1-NH1 2.8Å; E411-R437 PolarHBondContact OE1-NH1 3.05Å |
| 412 | M | 71.2 | Confident | 69.1 | Low | 42 Ų | 42 | 68 Ų | 68 | 21% | 0.207 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -151.5 | 72.4 | -179.2 | -150 | 170.2 | 106.9 | 0 | 0 | 107.9 | Y409 R410 M414 Q432 R438 | Y409-M412 CarbonylContact O-C 3.58Å; Y409-M412 PolarHBondContact O-N 2.94Å; R410-M412 VanDerWaalsContact C-N 3.26Å; R410-M412 PolarHBondContact O-N 2.94Å; M412-M414 PolarHBondContact O-N 3.4Å; M412-Q432 HydrophobicContact CE-CB 3.46Å; M412-Q432 VanDerWaalsContact CE-CB 3.46Å; M412-Q432 HydrophobicContact SD-CB 3.95Å; M412-Q432 PolarHBondContact SD-OE1 3.44Å; M412-R438 PolarHBondContact O-NH2 2.83Å |
| 413 | P | 64.6 | Low | 66.8 | Low | 49 Ų | 49 | 73.5 Ų | 73.5 | 32% | 0.318 | 38% | 0.376 | S | S | . | . | trans | -54.3 | 146.9 | 170.5 | 23.7 | -32.2 | 0 | 0 | 0 | 106.6 | Y409 R410 I415 | Y409-P413 HydrophobicContact CE1-CB 4.11Å; Y409-P413 WeakPolarHBondContact O-CA 3.25Å; Y409-P413 WeakPolarHBondContact O-CD 3.45Å; R410-P413 WeakPolarHBondContact O-CD 3.27Å; P413-I415 HydrophobicContact CG-CG1 4.26Å; P413-I415 PolarHBondContact O-N 2.92Å | ||
| 414 | M | 56.9 | Low | 64.7 | Low | 94 Ų | 94 | 79.1 Ų | 79.1 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | trans | -62.8 | 89.3 | 176.5 | -78.1 | -75.3 | -120.2 | 0 | 0 | 108.4 | M412 L416 F429 | M412-M414 PolarHBondContact O-N 3.4Å; M414-L416 PolarHBondContact O-N 3.23Å; M414-F429 HydrophobicContact CE-CE1 3.95Å | ||
| 415 | I | 49.8 | Very low | 62.3 | Low | 122 Ų | 122 | 81.1 Ų | 81.1 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | trans | -81.7 | 108.2 | 171.7 | -56.3 | 173 | 0 | 0 | 0 | 104.8 | P413 T417 | P413-I415 HydrophobicContact CG-CG1 4.26Å; P413-I415 PolarHBondContact O-N 2.92Å; I415-T417 HydrophobicContact CB-CG2 4.25Å; I415-T417 HydrophobicContact CG2-CG2 3.65Å; I415-T417 PolarHBondContact O-N 3.07Å | ||
| 416 | L | 45.4 | Very low | 59.8 | Low | 117 Ų | 117 | 84.8 Ų | 84.8 | 61% | 0.613 | 45% | 0.45 | S | S | * | . | trans | -58.3 | 90.5 | 158.3 | -82.2 | 159.2 | 0 | 0 | 0 | 107.3 | M414 M541 | M414-L416 PolarHBondContact O-N 3.23Å; L416-M541 HydrophobicContact CD2-CE 4.07Å; L416-M541 HydrophobicContact CG-CE 4.46Å | ||
| 417 | T | 36.1 | Very low | 57.4 | Low | 79 Ų | 79 | 92 Ų | 92 | 49% | 0.485 | 48% | 0.476 | S | S | . | . | trans | -81.7 | 121.8 | 174.5 | 42 | 0 | 0 | 0 | 0 | 108.5 | I415 S419 | I415-T417 HydrophobicContact CB-CG2 4.25Å; I415-T417 HydrophobicContact CG2-CG2 3.65Å; I415-T417 PolarHBondContact O-N 3.07Å; T417-S419 PolarHBondContact O-N 2.67Å; T417-S419 VanDerWaalsContact O-N 3.09Å | ||
| 418 | Y | 35.1 | Very low | 54.7 | Low | 145 Ų | 145 | 92.4 Ų | 92.4 | 57% | 0.569 | 48% | 0.483 | S | S | * | . | trans | -68.3 | 103.2 | 174.2 | -150.4 | -93.3 | 0 | 0 | 0 | 108.3 | M420 | Y418-M420 HydrophobicContact CD1-CG 4.09Å; Y418-M420 HydrophobicContact CD1-SD 3.88Å; Y418-M420 HydrophobicContact CE1-SD 3.89Å; Y418-M420 PolarHBondContact O-N 2.92Å; Y418-M420 VanDerWaalsContact O-N 3.16Å | ||
| 419 | S | 35 | Very low | 52.5 | Low | 32 Ų | 32 | 98.3 Ų | 98.3 | 22% | 0.224 | 51% | 0.509 | C | S | . | . | trans | -76.4 | 101.9 | 170.3 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | T417 T421 | T417-S419 PolarHBondContact O-N 2.67Å; T417-S419 VanDerWaalsContact O-N 3.09Å; S419-T421 PolarHBondContact O-N 2.7Å; S419-T421 PolarHBondContact OG-OG1 3.2Å | ||
| 420 | M | 43.3 | Very low | 50.1 | Low | 163 Ų | 163 | 101.6 Ų | 101.6 | 80% | 0.803 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 4 | 172.9 | -75.6 | -75.7 | -80.1 | 0 | 0 | 113.7 | Y418 | Y418-M420 HydrophobicContact CD1-CG 4.09Å; Y418-M420 HydrophobicContact CD1-SD 3.88Å; Y418-M420 HydrophobicContact CE1-SD 3.89Å; Y418-M420 PolarHBondContact O-N 2.92Å; Y418-M420 VanDerWaalsContact O-N 3.16Å |
| 421 | T | 52.7 | Low | 48.4 | Very low | 120 Ų | 120 | 103.3 Ų | 103.3 | 74% | 0.736 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -6.2 | -165.1 | 61.6 | 0 | 0 | 0 | 0 | 115.7 | S419 | S419-T421 PolarHBondContact O-N 2.7Å; S419-T421 PolarHBondContact OG-OG1 3.2Å |
| 422 | T | 42.3 | Very low | 46.9 | Very low | 72 Ų | 72 | 104.5 Ų | 104.5 | 44% | 0.442 | 55% | 0.55 | S | S | . | * | trans | -130.5 | 102.7 | -180 | 35.6 | 0 | 0 | 0 | 0 | 112.3 | L424 | T422-L424 PolarHBondContact O-N 3.12Š| ||
| 423 | T | 49.4 | Very low | 46.2 | Very low | 141 Ų | 141 | 111.3 Ų | 111.3 | 87% | 0.865 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 12.7 | -176.7 | 51.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 424 | L | 51.2 | Low | 46.2 | Very low | 170 Ų | 170 | 111.1 Ų | 111.1 | 89% | 0.89 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 1.9 | -173.8 | -75.2 | 166.3 | 0 | 0 | 0 | 115.2 | T422 | T422-L424 PolarHBondContact O-N 3.12Š|
| 425 | A | 44.1 | Very low | 47.2 | Very low | 42 Ų | 42 | 108 Ų | 108 | 35% | 0.347 | 57% | 0.572 | S | S | . | * | trans | -154.2 | 112.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | Y427 | A425-Y427 PolarHBondContact O-N 3.09Å; A425-Y427 VanDerWaalsContact O-N 3.13Å | ||
| 426 | P | 43.2 | Very low | 48.9 | Very low | 77 Ų | 77 | 105.2 Ų | 105.2 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -70.5 | -9.8 | -174 | -4.3 | 17.1 | 0 | 0 | 0 | 113.2 | ||
| 427 | Y | 42.4 | Very low | 50.9 | Low | 160 Ų | 160 | 101 Ų | 101 | 63% | 0.627 | 53% | 0.531 | S | S | * | . | trans | -134.1 | 104.7 | -174.4 | -49.7 | -77.3 | 0 | 0 | 0 | 108.6 | A425 | A425-Y427 PolarHBondContact O-N 3.09Å; A425-Y427 VanDerWaalsContact O-N 3.13Å | ||
| 428 | T | 35.1 | Very low | 53.2 | Low | 62 Ų | 62 | 98.8 Ų | 98.8 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | trans | -119.1 | 120.1 | 165.3 | 49 | 0 | 0 | 0 | 0 | 107.4 | V430 | T428-V430 PolarHBondContact O-N 2.89Š| ||
| 429 | F | 45.6 | Very low | 55.6 | Low | 124 Ų | 124 | 97.4 Ų | 97.4 | 54% | 0.544 | 51% | 0.513 | S | S | . | . | trans | -60.4 | 104.8 | 167.3 | -87.1 | -89.8 | 0 | 0 | 0 | 108.3 | M414 Q431 M541 | M414-F429 HydrophobicContact CE-CE1 3.95Å; F429-Q431 VanDerWaalsContact C-N 3.33Å; F429-Q431 PolarHBondContact O-N 3.12Å; F429-M541 HydrophobicContact CE1-CE 4.3Å; F429-M541 HydrophobicContact CE2-CE 4.35Å; F429-M541 HydrophobicContact CE2-SD 4.5Å; F429-M541 HydrophobicContact CZ-CE 3.57Å; F429-M541 HydrophobicContact CZ-SD 4.13Å | ||
| 430 | V | 39.7 | Very low | 58.2 | Low | 90 Ų | 90 | 97.7 Ų | 97.7 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | trans | -83.2 | 94 | 156.6 | -174.2 | 0 | 0 | 0 | 0 | 104.5 | T428 Q432 | T428-V430 PolarHBondContact O-N 2.89Å; V430-Q432 PolarHBondContact O-N 3.44Å | ||
| 431 | Q | 50.2 | Low | 60.6 | Low | 178 Ų | 178 | 90 Ų | 90 | 83% | 0.832 | 47% | 0.473 | S | S | * | . | trans | -59.7 | 93.7 | 158.8 | -86.9 | -177.7 | -19 | 0 | 0 | 105.7 | F429 E433 | F429-Q431 VanDerWaalsContact C-N 3.33Å; F429-Q431 PolarHBondContact O-N 3.12Å; Q431-E433 PolarHBondContact O-N 3.14Å | ||
| 432 | Q | 52 | Low | 62.3 | Low | 116 Ų | 116 | 87.5 Ų | 87.5 | 54% | 0.542 | 46% | 0.461 | S | S | . | . | trans | -53.7 | 137.1 | 163.7 | -90.6 | 177.4 | -9.5 | 0 | 0 | 107.1 | M412 V430 A434 | M412-Q432 HydrophobicContact CE-CB 3.46Å; M412-Q432 VanDerWaalsContact CE-CB 3.46Å; M412-Q432 HydrophobicContact SD-CB 3.95Å; M412-Q432 PolarHBondContact SD-OE1 3.44Å; V430-Q432 PolarHBondContact O-N 3.44Å; Q432-A434 PolarHBondContact O-N 2.84Å | ||
| 433 | E | 57 | Low | 64.4 | Low | 184 Ų | 184 | 88.3 Ų | 88.3 | 86% | 0.86 | 47% | 0.468 | S | S | * | . | trans | -45.5 | 121.1 | 177.7 | -74.1 | -173.3 | 158.1 | 0 | 0 | 109 | Q431 S435 | Q431-E433 PolarHBondContact O-N 3.14Å; E433-S435 PolarHBondContact O-N 3.2Å | ||
| 434 | A | 63.7 | Low | 66.6 | Low | 46 Ų | 46 | 82.2 Ų | 82.2 | 38% | 0.38 | 43% | 0.429 | S | S | . | . | trans | -51.4 | 132 | -175.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q432 R438 Q439 | Q432-A434 PolarHBondContact O-N 2.84Å; A434-R438 HydrophobicContact CB-CB 4.31Å; A434-Q439 HydrophobicContact CB-CG 4.09Å; A434-Q439 PolarHBondContact O-NE2 3.33Å | ||
| 435 | S | 78.7 | Confident | 68.7 | Low | 29 Ų | 29 | 74.5 Ų | 74.5 | 20% | 0.203 | 39% | 0.389 | C | S | . | . | trans | -52.3 | 149.4 | 179.3 | 80.9 | 0 | 0 | 0 | 0 | 110.2 | E411 E433 R437 R438 Q439 | E411-S435 PolarHBondContact OE2-OG 3.28Å; E433-S435 PolarHBondContact O-N 3.2Å; S435-R437 PolarHBondContact O-N 3.34Å; S435-R437 VanDerWaalsContact O-N 3.13Å; S435-R438 WeakPolarHBondContact O-CB 3.13Å; S435-R438 PolarHBondContact O-N 2.92Å; S435-R438 PolarHBondContact OG-N 2.86Å; S435-Q439 PolarHBondContact O-N 3.31Å; S435-Q439 VanDerWaalsContact O-N 3.07Å | ||
| 436 | F | 84.4 | Confident | 71.1 | Confident | 63 Ų | 63 | 74 Ų | 74 | 28% | 0.276 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -51.3 | -40.2 | 179.7 | 169.2 | -115 | 0 | 0 | 0 | 112 | E359 R361 Q439 I440 | E359-F436 WeakPolarHBondContact O-CE1 3.39Å; R361-F436 HydrophobicContact CB-CE2 4.38Å; R361-F436 HydrophobicContact CB-CZ 4.16Å; R361-F436 HydrophobicContact CG-CD2 4.02Å; R361-F436 HydrophobicContact CG-CE1 3.95Å; R361-F436 HydrophobicContact CG-CE2 3.38Å; R361-F436 HydrophobicContact CG-CZ 3.32Å; F436-Q439 PolarHBondContact O-N 2.97Å; F436-I440 HydrophobicContact CD1-CD1 3.9Å; F436-I440 HydrophobicContact CD2-CD1 4.3Å; F436-I440 HydrophobicContact CD2-CG1 4.48Å; F436-I440 HydrophobicContact CE1-CD1 3.33Å; F436-I440 HydrophobicContact CE1-CG1 4.4Å; F436-I440 HydrophobicContact CE2-CD1 3.74Å; F436-I440 HydrophobicContact CE2-CG1 3.95Å; F436-I440 HydrophobicContact CG-CD1 4.36Å; F436-I440 HydrophobicContact CZ-CD1 3.23Å; F436-I440 HydrophobicContact CZ-CG1 3.92Å; F436-I440 WeakPolarHBondContact O-CG1 3.49Å; F436-I440 PolarHBondContact O-N 2.79Å |
| 437 | R | 88.8 | Confident | 73.6 | Confident | 28 Ų | 28 | 74.4 Ų | 74.4 | 11% | 0.106 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 175.1 | -64.1 | -179.7 | 78.4 | -161.6 | 0.9 | 112.2 | E359 L408 E411 S435 Q439 I440 Y441 | E359-R437 IonicContact OE1-CZ 3.31Å; E359-R437 IonicContact OE1-NE 2.74Å; E359-R437 PolarHBondContact OE1-NE 3.08Å; E359-R437 IonicContact OE1-NH2 3.58Å; E359-R437 PolarHBondContact OE1-NH2 2.65Å; E359-R437 VanDerWaalsContact OE2-CD 3.28Å; E359-R437 WeakPolarHBondContact OE2-CD 3.43Å; E359-R437 WeakPolarHBondContact OE2-CG 3.34Å; E359-R437 IonicContact OE2-CZ 2.83Å; E359-R437 IonicContact OE2-NE 3.7Å; E359-R437 PolarHBondContact OE2-NE 3.14Å; E359-R437 IonicContact OE2-NH2 2.87Å; L408-R437 HydrophobicContact CD2-CB 3.7Å; E411-R437 WeakPolarHBondContact OE1-CD 3.35Å; E411-R437 IonicContact OE1-CZ 2.82Å; E411-R437 IonicContact OE1-NE 3.86Å; E411-R437 IonicContact OE1-NH1 2.8Å; E411-R437 PolarHBondContact OE1-NH1 3.05Å; S435-R437 PolarHBondContact O-N 3.34Å; S435-R437 VanDerWaalsContact O-N 3.13Å; R437-Q439 PolarHBondContact O-N 3.38Å; R437-I440 WeakPolarHBondContact O-CB 3.47Å; R437-I440 PolarHBondContact O-N 3.39Å; R437-Y441 HydrophobicContact CB-CD2 4.35Å; R437-Y441 HydrophobicContact CB-CE2 4.33Å; R437-Y441 WeakPolarHBondContact O-CD2 3.26Å; R437-Y441 PolarHBondContact O-N 3.47Å |
| 438 | R | 83 | Confident | 76.2 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 12% | 0.121 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.4 | -36.5 | 176.7 | -75 | -174.7 | -179.2 | -174.6 | 2.3 | 112.5 | L408 M412 A434 S435 Y441 S442 | L408-R438 HydrophobicContact CD2-CG 4.4Å; L408-R438 PolarHBondContact O-NE 3.33Å; L408-R438 PolarHBondContact O-NH2 3.45Å; M412-R438 PolarHBondContact O-NH2 2.83Å; A434-R438 HydrophobicContact CB-CB 4.31Å; S435-R438 WeakPolarHBondContact O-CB 3.13Å; S435-R438 PolarHBondContact O-N 2.92Å; S435-R438 PolarHBondContact OG-N 2.86Å; R438-Y441 PolarHBondContact O-N 3.28Å; R438-S442 VanDerWaalsContact O-CB 3.26Å; R438-S442 WeakPolarHBondContact O-CB 3.29Å; R438-S442 PolarHBondContact O-N 3.23Å |
| 439 | Q | 85.6 | Confident | 79.2 | Confident | 117 Ų | 117 | 64.1 Ų | 64.1 | 55% | 0.547 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 175.6 | -62.7 | 177.8 | 13.6 | 0 | 0 | 112.3 | A434 S435 F436 R437 | A434-Q439 HydrophobicContact CB-CG 4.09Å; A434-Q439 PolarHBondContact O-NE2 3.33Å; S435-Q439 PolarHBondContact O-N 3.31Å; S435-Q439 VanDerWaalsContact O-N 3.07Å; F436-Q439 PolarHBondContact O-N 2.97Å; R437-Q439 PolarHBondContact O-N 3.38Å |
| 440 | I | 90 | Very high | 81.7 | Confident | 37 Ų | 37 | 63.3 Ų | 63.3 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 176.3 | -66.1 | 162.4 | 0 | 0 | 0 | 111.1 | E359 F436 R437 | E359-I440 HydrophobicContact CB-CD1 4.42Å; F436-I440 HydrophobicContact CD1-CD1 3.9Å; F436-I440 HydrophobicContact CD2-CD1 4.3Å; F436-I440 HydrophobicContact CD2-CG1 4.48Å; F436-I440 HydrophobicContact CE1-CD1 3.33Å; F436-I440 HydrophobicContact CE1-CG1 4.4Å; F436-I440 HydrophobicContact CE2-CD1 3.74Å; F436-I440 HydrophobicContact CE2-CG1 3.95Å; F436-I440 HydrophobicContact CG-CD1 4.36Å; F436-I440 HydrophobicContact CZ-CD1 3.23Å; F436-I440 HydrophobicContact CZ-CG1 3.92Å; F436-I440 WeakPolarHBondContact O-CG1 3.49Å; F436-I440 PolarHBondContact O-N 2.79Å; R437-I440 WeakPolarHBondContact O-CB 3.47Å; R437-I440 PolarHBondContact O-N 3.39Å |
| 441 | Y | 93 | Very high | 84.4 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -84.5 | -22.1 | -172.5 | -67.6 | -68.7 | 0 | 0 | 0 | 114 | E359 H375 L379 L404 L408 R437 R438 P443 H444 L445 | E359-Y441 HydrophobicContact CG-CE2 4.42Å; E359-Y441 WeakPolarHBondContact OE1-CE2 3.45Å; E359-Y441 PolarHBondContact OE1-OH 3.09Å; H375-Y441 AromaticContact CE1-CE1 3.88Å; H375-Y441 AromaticContact CE1-CZ 3.68Å; H375-Y441 PolarHBondContact CE1-OH 2.97Å; H375-Y441 AromaticContact NE2-CE1 3.71Å; H375-Y441 AromaticContact NE2-CZ 3.8Å; H375-Y441 PolarHBondContact NE2-OH 3.47Å; L379-Y441 HydrophobicContact CD1-CD1 3.74Å; L379-Y441 HydrophobicContact CD1-CE1 3.59Å; L379-Y441 HydrophobicContact CD2-CD1 4.32Å; L379-Y441 HydrophobicContact CD2-CE1 3.81Å; L379-Y441 HydrophobicContact CG-CE1 4.33Å; L404-Y441 HydrophobicContact CD1-CD1 4.33Å; L404-Y441 HydrophobicContact CD1-CD2 4.2Å; L404-Y441 HydrophobicContact CD1-CE1 3.95Å; L404-Y441 HydrophobicContact CD1-CE2 3.84Å; L404-Y441 HydrophobicContact CD1-CG 4.45Å; L404-Y441 HydrophobicContact CD2-CD1 3.82Å; L404-Y441 HydrophobicContact CD2-CE1 3.9Å; L404-Y441 HydrophobicContact CD2-CG 4.35Å; L408-Y441 HydrophobicContact CD1-CD2 3.9Å; L408-Y441 HydrophobicContact CD1-CG 4.1Å; L408-Y441 HydrophobicContact CD2-CD2 3.85Å; L408-Y441 HydrophobicContact CD2-CE2 4.32Å; L408-Y441 HydrophobicContact CG-CD2 4.41Å; R437-Y441 HydrophobicContact CB-CD2 4.35Å; R437-Y441 HydrophobicContact CB-CE2 4.33Å; R437-Y441 WeakPolarHBondContact O-CD2 3.26Å; R437-Y441 PolarHBondContact O-N 3.47Å; R438-Y441 PolarHBondContact O-N 3.28Å; Y441-P443 VanDerWaalsContact C-CD 3.46Å; Y441-P443 VanDerWaalsContact O-N 3.13Å; Y441-H444 WeakPolarHBondContact O-CA 3.47Å; Y441-H444 WeakPolarHBondContact O-CB 3.35Å; Y441-H444 PolarHBondContact O-N 3.01Å; Y441-L445 WeakPolarHBondContact O-CG 3.38Å; Y441-L445 PolarHBondContact O-N 2.86Å |
| 442 | S | 87.9 | Confident | 86.6 | Confident | 68 Ų | 68 | 51 Ų | 51 | 48% | 0.476 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -45.2 | -47.6 | -173.4 | 169.1 | 0 | 0 | 0 | 0 | 115.1 | R438 H444 L445 | R438-S442 VanDerWaalsContact O-CB 3.26Å; R438-S442 WeakPolarHBondContact O-CB 3.29Å; R438-S442 PolarHBondContact O-N 3.23Å; S442-H444 VanDerWaalsContact C-N 3.28Å; S442-H444 PolarHBondContact O-N 2.95Å; S442-L445 PolarHBondContact O-N 3.04Å |
| 443 | P | 87.8 | Confident | 88.8 | Confident | 90 Ų | 90 | 45.5 Ų | 45.5 | 58% | 0.584 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.6 | -34.7 | 178.6 | -21 | 33.1 | 0 | 0 | 0 | 113.5 | Y441 | Y441-P443 VanDerWaalsContact C-CD 3.46Å; Y441-P443 VanDerWaalsContact O-N 3.13Å |
| 444 | H | 94.7 | Very high | 90.6 | Very high | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -78.4 | -34.7 | -178.4 | -56.8 | 88.8 | 0 | 0 | 0 | 111.7 | N376 L383 Y441 S442 S446 Q447 L448 | N376-H444 PolarHBondContact OD1-CE1 3.49Å; N376-H444 PolarHBondContact OD1-NE2 3.11Å; L383-H444 HydrophobicContact CD1-CB 3.99Å; Y441-H444 WeakPolarHBondContact O-CA 3.47Å; Y441-H444 WeakPolarHBondContact O-CB 3.35Å; Y441-H444 PolarHBondContact O-N 3.01Å; S442-H444 VanDerWaalsContact C-N 3.28Å; S442-H444 PolarHBondContact O-N 2.95Å; H444-S446 VanDerWaalsContact C-N 3.32Å; H444-S446 PolarHBondContact O-N 2.99Å; H444-Q447 PolarHBondContact O-N 3.38Å; H444-L448 WeakPolarHBondContact O-CB 3.26Å; H444-L448 PolarHBondContact O-N 3.37Å |
| 445 | L | 95.7 | Very high | 92.1 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.6 | -34.6 | -179.7 | -64.7 | -179.4 | 0 | 0 | 0 | 112.5 | V405 L408 Y441 S442 L448 R449 L496 L499 | V405-L445 HydrophobicContact CG1-CD2 4.06Å; L408-L445 HydrophobicContact CD1-CD1 4.09Å; L408-L445 HydrophobicContact CD1-CD2 4.35Å; Y441-L445 WeakPolarHBondContact O-CG 3.38Å; Y441-L445 PolarHBondContact O-N 2.86Å; S442-L445 PolarHBondContact O-N 3.04Å; L445-L448 HydrophobicContact CD2-CD2 4.4Å; L445-L448 PolarHBondContact O-N 2.72Å; L445-R449 WeakPolarHBondContact O-CG 3.36Å; L445-R449 PolarHBondContact O-N 3.11Å; L445-L496 HydrophobicContact CB-CD2 4.23Å; L445-L496 HydrophobicContact CD2-CD2 3.9Å; L445-L499 HydrophobicContact CD1-CD1 4.08Å |
| 446 | S | 95.3 | Very high | 93 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 22% | 0.224 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -43 | 176 | -167.2 | 0 | 0 | 0 | 0 | 111.8 | H444 L448 R449 Y450 D503 | H444-S446 VanDerWaalsContact C-N 3.32Å; H444-S446 PolarHBondContact O-N 2.99Å; S446-L448 VanDerWaalsContact C-N 3.35Å; S446-L448 PolarHBondContact O-N 3.4Å; S446-R449 PolarHBondContact O-N 3.04Å; S446-Y450 PolarHBondContact O-N 2.84Å; S446-Y450 VanDerWaalsContact O-N 3.11Å; S446-D503 WeakPolarHBondContact CA-OD2 3.26Å; S446-D503 WeakPolarHBondContact CB-OD2 3.36Å; S446-D503 PolarHBondContact OG-OD1 2.82Å; S446-D503 PolarHBondContact OG-OD2 3.13Å |
| 447 | Q | 95.3 | Very high | 93.5 | Very high | 84 Ų | 84 | 34.9 Ų | 34.9 | 39% | 0.393 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.4 | -39 | 174.1 | -171.3 | 174.2 | 3.4 | 0 | 0 | 111.6 | L383 H444 Y450 I451 | L383-Q447 HydrophobicContact CD1-CB 4.21Å; L383-Q447 HydrophobicContact CD1-CG 4.35Å; L383-Q447 HydrophobicContact CD2-CB 4.49Å; L383-Q447 HydrophobicContact CD2-CG 4.49Å; H444-Q447 PolarHBondContact O-N 3.38Å; Q447-Y450 WeakPolarHBondContact O-CB 3.27Å; Q447-Y450 PolarHBondContact O-N 2.86Å; Q447-I451 HydrophobicContact CG-CD1 4.22Å; Q447-I451 WeakPolarHBondContact O-CG1 3.46Å; Q447-I451 PolarHBondContact O-N 3.01Å |
| 448 | L | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 174.3 | -179.9 | 61.3 | 0 | 0 | 0 | 111.6 | L383 W401 V405 H444 L445 S446 Y450 I451 I452 L496 | L383-L448 HydrophobicContact CD2-CB 3.95Å; L383-L448 HydrophobicContact CD2-CD1 4.4Å; W401-L448 HydrophobicContact CB-CD1 4.14Å; W401-L448 HydrophobicContact CB-CD2 3.94Å; W401-L448 HydrophobicContact CD2-CD1 3.79Å; W401-L448 HydrophobicContact CD2-CD2 3.78Å; W401-L448 HydrophobicContact CD2-CG 4.41Å; W401-L448 HydrophobicContact CE3-CD2 3.73Å; W401-L448 HydrophobicContact CG-CD1 3.57Å; W401-L448 HydrophobicContact CG-CD2 3.89Å; W401-L448 HydrophobicContact CG-CG 4.4Å; W401-L448 HydrophobicContact CZ3-CD2 4.48Å; V405-L448 HydrophobicContact CG1-CD2 4.22Å; H444-L448 WeakPolarHBondContact O-CB 3.26Å; H444-L448 PolarHBondContact O-N 3.37Å; L445-L448 HydrophobicContact CD2-CD2 4.4Å; L445-L448 PolarHBondContact O-N 2.72Å; S446-L448 VanDerWaalsContact C-N 3.35Å; S446-L448 PolarHBondContact O-N 3.4Å; L448-Y450 VanDerWaalsContact C-N 3.28Å; L448-Y450 PolarHBondContact O-N 3.15Å; L448-I451 PolarHBondContact O-N 3.18Å; L448-I451 VanDerWaalsContact O-N 3.15Å; L448-I452 HydrophobicContact CD1-CD1 4.16Å; L448-I452 HydrophobicContact CD1-CG1 3.84Å; L448-I452 HydrophobicContact CG-CG1 4.14Å; L448-I452 WeakPolarHBondContact O-CG1 3.48Å; L448-I452 PolarHBondContact O-N 3.1Å; L448-L496 HydrophobicContact CD2-CD1 4.09Å; L448-L496 HydrophobicContact CD2-CD2 4.14Å; L448-L496 HydrophobicContact CG-CD1 4Å |
| 449 | R | 97.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 2% | 0.023 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.2 | -46.6 | 173.9 | -75.7 | 179.1 | -167.6 | 101.8 | 10 | 111.2 | L445 S446 I451 I452 I453 L496 D500 D503 T504 I507 | L445-R449 WeakPolarHBondContact O-CG 3.36Å; L445-R449 PolarHBondContact O-N 3.11Å; S446-R449 PolarHBondContact O-N 3.04Å; R449-I451 VanDerWaalsContact C-N 3.34Å; R449-I451 PolarHBondContact O-N 3.4Å; R449-I452 PolarHBondContact O-N 3.25Å; R449-I453 WeakPolarHBondContact O-CB 3.44Å; R449-I453 WeakPolarHBondContact O-CD1 3.4Å; R449-I453 VanDerWaalsContact O-CG1 3.22Å; R449-I453 WeakPolarHBondContact O-CG1 3.49Å; R449-I453 PolarHBondContact O-N 2.92Å; R449-L496 HydrophobicContact CG-CB 3.87Å; R449-L496 HydrophobicContact CG-CD1 3.93Å; R449-L496 HydrophobicContact CG-CD2 4.15Å; R449-L496 HydrophobicContact CG-CG 4.21Å; R449-L496 PolarHBondContact NE-O 3.34Å; R449-L496 VanDerWaalsContact NE-O 3.13Å; R449-L496 PolarHBondContact NH2-O 2.89Å; R449-D500 VanDerWaalsContact NH2-CB 3.31Å; R449-D503 IonicContact CZ-OD2 3.28Å; R449-D503 IonicContact NE-OD2 2.82Å; R449-D503 IonicContact NH1-OD2 2.7Å; R449-D503 PolarHBondContact NH1-OD2 3.47Å; R449-T504 WeakPolarHBondContact CD-OG1 3.37Å; R449-T504 PolarHBondContact NE-OG1 3.42Å; R449-I507 HydrophobicContact CB-CD1 3.7Å |
| 450 | Y | 96.8 | Very high | 94.5 | Very high | 107 Ų | 107 | 32.1 Ų | 32.1 | 42% | 0.42 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 178.4 | -171 | -88.9 | 0 | 0 | 0 | 112.4 | S446 Q447 L448 G454 I507 K511 | S446-Y450 PolarHBondContact O-N 2.84Å; S446-Y450 VanDerWaalsContact O-N 3.11Å; Q447-Y450 WeakPolarHBondContact O-CB 3.27Å; Q447-Y450 PolarHBondContact O-N 2.86Å; L448-Y450 VanDerWaalsContact C-N 3.28Å; L448-Y450 PolarHBondContact O-N 3.15Å; Y450-G454 PolarHBondContact O-N 2.77Å; Y450-G454 VanDerWaalsContact O-N 3.08Å; Y450-I507 HydrophobicContact CD2-CG2 4.05Å; Y450-K511 VanDerWaalsContact CE2-CE 3.41Å; Y450-K511 VanDerWaalsContact CE2-NZ 3.29Å; Y450-K511 PolarHBondContact OH-NZ 3.3Å |
| 451 | I | 96.3 | Very high | 94.5 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 5% | 0.051 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.3 | -51.4 | 177.4 | -66.2 | 166.4 | 0 | 0 | 0 | 111 | L383 E387 F394 Q447 L448 R449 I453 G454 R455 | L383-I451 HydrophobicContact CB-CD1 4.4Å; L383-I451 HydrophobicContact CD2-CD1 4.04Å; E387-I451 HydrophobicContact CG-CD1 3.88Å; E387-I451 HydrophobicContact CG-CG1 4.08Å; F394-I451 HydrophobicContact CE2-CG2 4.28Å; Q447-I451 HydrophobicContact CG-CD1 4.22Å; Q447-I451 WeakPolarHBondContact O-CG1 3.46Å; Q447-I451 PolarHBondContact O-N 3.01Å; L448-I451 PolarHBondContact O-N 3.18Å; L448-I451 VanDerWaalsContact O-N 3.15Å; R449-I451 VanDerWaalsContact C-N 3.34Å; R449-I451 PolarHBondContact O-N 3.4Å; I451-I453 PolarHBondContact O-N 2.91Å; I451-G454 PolarHBondContact O-N 2.96Å; I451-R455 HydrophobicContact CG2-CG 4.32Å; I451-R455 VanDerWaalsContact O-CB 3.28Å; I451-R455 WeakPolarHBondContact O-CB 3.42Å; I451-R455 WeakPolarHBondContact O-CG 3.44Å; I451-R455 PolarHBondContact O-N 2.91Å |
| 452 | I | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | -178.2 | -63.9 | -63.1 | 0 | 0 | 0 | 110.8 | F394 L398 L448 R449 G454 R455 M456 M489 T492 L493 L496 | F394-I452 HydrophobicContact CZ-CD1 4.03Å; L398-I452 HydrophobicContact CD1-CD1 3.78Å; L448-I452 HydrophobicContact CD1-CD1 4.16Å; L448-I452 HydrophobicContact CD1-CG1 3.84Å; L448-I452 HydrophobicContact CG-CG1 4.14Å; L448-I452 WeakPolarHBondContact O-CG1 3.48Å; L448-I452 PolarHBondContact O-N 3.1Å; R449-I452 PolarHBondContact O-N 3.25Å; I452-G454 PolarHBondContact O-N 2.77Å; I452-R455 PolarHBondContact O-N 3.47Å; I452-M456 PolarHBondContact O-N 3.41Å; I452-M456 VanDerWaalsContact O-N 3.08Å; I452-M489 HydrophobicContact CD1-CE 4.28Å; I452-M489 HydrophobicContact CG2-CE 4.05Å; I452-M489 WeakPolarHBondContact O-CE 3.44Å; I452-T492 HydrophobicContact CD1-CG2 4.47Å; I452-L493 HydrophobicContact CG2-CB 4.04Å; I452-L493 HydrophobicContact CG2-CD1 4.25Å; I452-L496 HydrophobicContact CG1-CD1 4.37Å |
| 453 | I | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 177 | -68 | 165.4 | 0 | 0 | 0 | 111 | R449 I451 R455 L493 I507 M508 K511 L529 A532 | R449-I453 WeakPolarHBondContact O-CB 3.44Å; R449-I453 WeakPolarHBondContact O-CD1 3.4Å; R449-I453 VanDerWaalsContact O-CG1 3.22Å; R449-I453 WeakPolarHBondContact O-CG1 3.49Å; R449-I453 PolarHBondContact O-N 2.92Å; I451-I453 PolarHBondContact O-N 2.91Å; I453-R455 PolarHBondContact O-N 2.74Å; I453-L493 HydrophobicContact CD1-CD1 4.37Å; I453-L493 HydrophobicContact CG1-CD1 3.92Å; I453-L493 HydrophobicContact CG1-CD2 4.4Å; I453-I507 HydrophobicContact CD1-CB 4.26Å; I453-I507 HydrophobicContact CD1-CG2 3.71Å; I453-M508 HydrophobicContact CD1-CE 3.98Å; I453-M508 HydrophobicContact CD1-CG 3.82Å; I453-M508 HydrophobicContact CG1-CE 4.05Å; I453-K511 HydrophobicContact CG2-CD 3.75Å; I453-L529 HydrophobicContact CG2-CD1 4.05Å; I453-A532 HydrophobicContact CB-CB 4.3Å; I453-A532 HydrophobicContact CG1-CB 4.15Å; I453-A532 HydrophobicContact CG2-CB 4.02Å |
| 454 | G | 95.9 | Very high | 94.7 | Very high | 27 Ų | 27 | 25.2 Ų | 25.2 | 28% | 0.278 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -75 | -8.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y450 I451 I452 | Y450-G454 PolarHBondContact O-N 2.77Å; Y450-G454 VanDerWaalsContact O-N 3.08Å; I451-G454 PolarHBondContact O-N 2.96Å; I452-G454 PolarHBondContact O-N 2.77Å |
| 455 | R | 95.1 | Very high | 94.4 | Very high | 55 Ų | 55 | 26.9 Ų | 26.9 | 21% | 0.208 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 5.9 | -176.4 | -70.9 | -77.2 | -69.6 | -121.7 | -10.3 | 113.1 | E387 V388 F394 I451 I452 I453 A457 M489 | E387-R455 PolarHBondContact O-NH1 3.44Å; V388-R455 VanDerWaalsContact O-CZ 3.29Å; V388-R455 PolarHBondContact O-NH1 3.32Å; V388-R455 PolarHBondContact O-NH2 3.5Å; F394-R455 HydrophobicContact CE2-CB 4.35Å; F394-R455 HydrophobicContact CE2-CG 4.48Å; F394-R455 HydrophobicContact CZ-CB 4.12Å; I451-R455 HydrophobicContact CG2-CG 4.32Å; I451-R455 VanDerWaalsContact O-CB 3.28Å; I451-R455 WeakPolarHBondContact O-CB 3.42Å; I451-R455 WeakPolarHBondContact O-CG 3.44Å; I451-R455 PolarHBondContact O-N 2.91Å; I452-R455 PolarHBondContact O-N 3.47Å; I453-R455 PolarHBondContact O-N 2.74Å; R455-A457 PolarHBondContact O-N 2.92Å; R455-M489 HydrophobicContact CB-CE 4.06Å; R455-M489 WeakPolarHBondContact O-CE 3.15Å |
| 456 | M | 96.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -50.8 | 125.8 | -172.1 | -162.2 | 62.6 | 162.2 | 0 | 0 | 111.1 | I452 Y486 M489 R490 L493 T528 W531 A532 S535 | I452-M456 PolarHBondContact O-N 3.41Å; I452-M456 VanDerWaalsContact O-N 3.08Å; M456-Y486 HydrophobicContact CE-CD2 4.21Å; M456-Y486 HydrophobicContact CE-CE2 3.88Å; M456-M489 HydrophobicContact CE-CB 4.47Å; M456-M489 HydrophobicContact SD-CB 3.8Å; M456-M489 HydrophobicContact SD-CE 4.17Å; M456-R490 HydrophobicContact CE-CB 4.17Å; M456-L493 HydrophobicContact CE-CD2 4.27Å; M456-T528 WeakPolarHBondContact CB-O 3.34Å; M456-W531 HydrophobicContact CB-CB 4.31Å; M456-W531 HydrophobicContact CG-CB 3.91Å; M456-W531 VanDerWaalsContact O-CE3 3.26Å; M456-A532 HydrophobicContact CB-CB 4.24Å; M456-A532 HydrophobicContact CG-CB 4.18Å; M456-S535 WeakPolarHBondContact CE-OG 3.49Å |
| 457 | A | 95.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 11% | 0.107 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -69 | 158.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | R455 L485 Y486 M489 | R455-A457 PolarHBondContact O-N 2.92Å; A457-L485 HydrophobicContact CB-CB 4.43Å; A457-L485 HydrophobicContact CB-CD2 4.15Å; A457-L485 HydrophobicContact CB-CG 4.07Å; A457-Y486 WeakPolarHBondContact O-CD2 3.4Å; A457-M489 HydrophobicContact CB-SD 4.02Å; A457-M489 PolarHBondContact N-SD 2.66Å |
| 458 | K | 94.1 | Very high | 93.4 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 16% | 0.157 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 128.1 | -178.3 | -171.2 | 177.6 | 74.6 | 73.2 | 0 | 110.8 | V462 I465 E475 W531 | K458-V462 HydrophobicContact CG-CB 4.26Å; K458-V462 HydrophobicContact CG-CG1 4.49Å; K458-V462 PolarHBondContact NZ-O 3.41Å; K458-I465 HydrophobicContact CD-CG2 3.74Å; K458-E475 VanDerWaalsContact CE-OE1 3.26Å; K458-E475 WeakPolarHBondContact CE-OE1 3.37Å; K458-E475 VanDerWaalsContact NZ-CD 3.29Å; K458-E475 IonicContact NZ-OE1 3.59Å; K458-E475 PolarHBondContact NZ-OE1 3.06Å; K458-E475 IonicContact NZ-OE2 3.92Å; K458-E475 PolarHBondContact NZ-OE2 3.03Å; K458-W531 HydrophobicContact CB-CE3 4.28Å; K458-W531 HydrophobicContact CB-CH2 3.59Å; K458-W531 HydrophobicContact CB-CZ2 4.04Å; K458-W531 HydrophobicContact CB-CZ3 3.74Å; K458-W531 HydrophobicContact CD-CH2 4.22Å; K458-W531 HydrophobicContact CD-CZ2 4.21Å; K458-W531 HydrophobicContact CG-CH2 3.7Å; K458-W531 HydrophobicContact CG-CZ2 3.64Å; K458-W531 HydrophobicContact CG-CZ3 4.28Å |
| 459 | P | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 155.2 | 171.5 | 30.5 | -34.8 | 0 | 0 | 0 | 111.1 | E461 V462 Y486 W531 Y578 | P459-E461 WeakPolarHBondContact CB-OE2 3.26Å; P459-E461 PolarHBondContact O-N 2.96Å; P459-V462 HydrophobicContact CG-CB 4.21Å; P459-V462 HydrophobicContact CG-CG2 3.65Å; P459-V462 PolarHBondContact O-N 3.39Å; P459-Y486 HydrophobicContact CB-CD2 4.25Å; P459-Y486 HydrophobicContact CB-CE1 4.15Å; P459-Y486 HydrophobicContact CB-CE2 3.79Å; P459-W531 HydrophobicContact CG-CB 4.44Å; P459-W531 HydrophobicContact CG-CD2 4.5Å; P459-W531 HydrophobicContact CG-CG 3.99Å; P459-Y578 HydrophobicContact CB-CD2 4.28Å; P459-Y578 HydrophobicContact CB-CE2 3.49Å; P459-Y578 VanDerWaalsContact CB-CE2 3.49Å; P459-Y578 HydrophobicContact CG-CD1 4.49Å; P459-Y578 HydrophobicContact CG-CD2 3.86Å; P459-Y578 HydrophobicContact CG-CE1 4.15Å; P459-Y578 HydrophobicContact CG-CE2 3.45Å; P459-Y578 VanDerWaalsContact CG-CE2 3.45Å; P459-Y578 HydrophobicContact CG-CG 4.35Å |
| 460 | E | 91 | Very high | 92.2 | Very high | 83 Ų | 83 | 45.3 Ų | 45.3 | 39% | 0.388 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.1 | -178.8 | 69.1 | 170.5 | 153.2 | 0 | 0 | 113.3 | V462 K478 I483 | E460-V462 VanDerWaalsContact C-N 3.3Å; E460-V462 PolarHBondContact O-N 3.18Å; E460-K478 IonicContact OE2-NZ 2.96Å; E460-K478 PolarHBondContact OE2-NZ 3.28Å; E460-I483 HydrophobicContact CB-CD1 4.03Å; E460-I483 HydrophobicContact CB-CG1 4.15Å |
| 461 | E | 90.5 | Very high | 91.8 | Very high | 23 Ų | 23 | 45.5 Ų | 45.5 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -17.9 | 178.7 | -65.3 | 97.9 | 149 | 0 | 0 | 114.3 | P459 Y578 Q582 K622 N1098 | P459-E461 WeakPolarHBondContact CB-OE2 3.26Å; P459-E461 PolarHBondContact O-N 2.96Å; E461-Y578 HydrophobicContact CB-CD2 3.83Å; E461-Y578 HydrophobicContact CB-CE2 4.19Å; E461-Q582 PolarHBondContact OE1-NE2 3.3Å; E461-K622 IonicContact OE1-NZ 3.1Å; E461-N1098 PolarHBondContact OE1-ND2 2.93Å |
| 462 | V | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -94.9 | 104.2 | -177.4 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | K458 P459 E460 W531 Y578 M615 | K458-V462 HydrophobicContact CG-CB 4.26Å; K458-V462 HydrophobicContact CG-CG1 4.49Å; K458-V462 PolarHBondContact NZ-O 3.41Å; P459-V462 HydrophobicContact CG-CB 4.21Å; P459-V462 HydrophobicContact CG-CG2 3.65Å; P459-V462 PolarHBondContact O-N 3.39Å; E460-V462 VanDerWaalsContact C-N 3.3Å; E460-V462 PolarHBondContact O-N 3.18Å; V462-W531 HydrophobicContact CG1-CZ2 4.32Å; V462-Y578 HydrophobicContact CG2-CD2 4.08Å; V462-Y578 HydrophobicContact CG2-CG 3.98Å; V462-M615 HydrophobicContact CB-CE 4.4Å; V462-M615 HydrophobicContact CG2-CE 4.12Å | ||
| 463 | L | 90.3 | Very high | 90.9 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 13% | 0.126 | 25% | 0.25 | C | C | . | . | trans | -92 | -8.7 | -177.8 | -52.8 | 179.1 | 0 | 0 | 0 | 113.3 | R474 E475 D614 M615 | L463-R474 CarbonylContact O-C 3.46Å; L463-R474 WeakPolarHBondContact O-CA 3.34Å; L463-E475 PolarHBondContact O-N 2.95Å; L463-D614 HydrophobicContact CD1-CB 3.76Å; L463-M615 HydrophobicContact CB-CG 3.88Å; L463-M615 HydrophobicContact CB-SD 4.34Å; L463-M615 HydrophobicContact CD1-CG 4.13Å; L463-M615 HydrophobicContact CG-CG 3.95Å; L463-M615 PolarHBondContact N-SD 3.42Å | ||
| 464 | V | 88.9 | Confident | 90.4 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.4 | -179.2 | 177.4 | 0 | 0 | 0 | 0 | 109 | V472 V473 A570 V612 M615 | V464-V472 HydrophobicContact CG1-CG1 3.17Å; V464-V473 WeakPolarHBondContact CA-O 3.35Å; V464-A570 HydrophobicContact CG1-CB 4.49Å; V464-V612 HydrophobicContact CG2-CG2 4.33Å; V464-M615 HydrophobicContact CB-SD 4.24Å; V464-M615 HydrophobicContact CG2-SD 3.74Å |
| 465 | I | 89 | Confident | 89.9 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 157 | -177.3 | 62.1 | 167.8 | 0 | 0 | 0 | 111.3 | K458 V472 V473 E475 | K458-I465 HydrophobicContact CD-CG2 3.74Å; I465-V472 CarbonylContact O-C 3.51Å; I465-V472 WeakPolarHBondContact O-CA 3.32Å; I465-V473 HydrophobicContact CD1-CG2 4.49Å; I465-V473 HydrophobicContact CG1-CG2 3.96Å; I465-V473 PolarHBondContact N-O 3.19Å; I465-V473 PolarHBondContact O-N 3.37Å; I465-E475 HydrophobicContact CD1-CB 3.86Å; I465-E475 HydrophobicContact CD1-CG 4.05Å; I465-E475 HydrophobicContact CG1-CB 4.08Å; I465-E475 HydrophobicContact CG2-CB 4.12Å |
| 466 | E | 89.7 | Confident | 89.2 | Confident | 108 Ų | 108 | 57.2 Ų | 57.2 | 51% | 0.505 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 123.2 | 166.8 | -176.5 | 179.6 | -177.2 | 0 | 0 | 107.9 | E471 W523 | E466-E471 WeakPolarHBondContact CA-O 3.4Å; E466-W523 HydrophobicContact CB-CE3 4.37Å; E466-W523 HydrophobicContact CG-CE3 4.07Å; E466-W523 HydrophobicContact CG-CZ3 3.98Å |
| 467 | N | 88 | Confident | 88.5 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | trans | -79.3 | 174.9 | 175.2 | 70.1 | 8.8 | 0 | 0 | 0 | 111.4 | E469 G470 E471 V473 | N467-E469 PolarHBondContact O-N 2.9Å; N467-E469 WeakPolarHBondContact OD1-CA 3.39Å; N467-E469 WeakPolarHBondContact OD1-CB 3.29Å; N467-E469 PolarHBondContact OD1-N 2.92Å; N467-G470 PolarHBondContact O-N 3.28Å; N467-G470 PolarHBondContact OD1-N 2.67Å; N467-E471 PolarHBondContact N-O 2.91Å; N467-E471 PolarHBondContact OD1-N 3.31Å; N467-E471 PolarHBondContact OD1-O 3.19Å; N467-V473 HydrophobicContact CB-CG2 3.96Å | ||
| 468 | D | 86.9 | Confident | 87.8 | Confident | 178 Ų | 178 | 69.3 Ų | 69.3 | 95% | 0.952 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17.9 | 178.8 | -64.9 | -32.5 | 0 | 0 | 0 | 113.7 | ||
| 469 | E | 86.6 | Confident | 87.3 | Confident | 160 Ų | 160 | 71.7 Ų | 71.7 | 75% | 0.748 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -5.4 | 177.1 | -57.7 | -177.7 | 169.3 | 0 | 0 | 112.6 | N467 E471 | N467-E469 PolarHBondContact O-N 2.9Å; N467-E469 WeakPolarHBondContact OD1-CA 3.39Å; N467-E469 WeakPolarHBondContact OD1-CB 3.29Å; N467-E469 PolarHBondContact OD1-N 2.92Å; E469-E471 HydrophobicContact CB-CG 4.47Å |
| 470 | G | 84.2 | Confident | 87 | Confident | 29 Ų | 29 | 76.6 Ų | 76.6 | 30% | 0.299 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 82.5 | 12.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N467 | N467-G470 PolarHBondContact O-N 3.28Å; N467-G470 PolarHBondContact OD1-N 2.67Å |
| 471 | E | 86.8 | Confident | 86.7 | Confident | 111 Ų | 111 | 77.6 Ų | 77.6 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | trans | -89.7 | 142.9 | 176.1 | -55.7 | -169.9 | 150.3 | 0 | 0 | 111.1 | E466 N467 E469 V473 | E466-E471 WeakPolarHBondContact CA-O 3.4Å; N467-E471 PolarHBondContact N-O 2.91Å; N467-E471 PolarHBondContact OD1-N 3.31Å; N467-E471 PolarHBondContact OD1-O 3.19Å; E469-E471 HydrophobicContact CB-CG 4.47Å; E471-V473 HydrophobicContact CB-CG1 4.19Å; E471-V473 PolarHBondContact O-N 3.2Å | ||
| 472 | V | 87.3 | Confident | 86.6 | Confident | 11 Ų | 11 | 77.6 Ų | 77.6 | 7% | 0.067 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 113.3 | 175.2 | 179.6 | 0 | 0 | 0 | 0 | 108.4 | V464 I465 W523 D567 A570 V571 H609 | V464-V472 HydrophobicContact CG1-CG1 3.17Å; I465-V472 CarbonylContact O-C 3.51Å; I465-V472 WeakPolarHBondContact O-CA 3.32Å; V472-W523 HydrophobicContact CG2-CE3 4.23Å; V472-W523 HydrophobicContact CG2-CH2 3.88Å; V472-W523 HydrophobicContact CG2-CZ2 4.35Å; V472-W523 HydrophobicContact CG2-CZ3 3.82Å; V472-D567 HydrophobicContact CB-CB 4.17Å; V472-D567 HydrophobicContact CG2-CB 3.67Å; V472-A570 HydrophobicContact CG1-CB 4.12Å; V472-V571 HydrophobicContact CG1-CG2 4.24Å; V472-V571 HydrophobicContact CG2-CG2 3.91Å; V472-H609 PolarHBondContact O-NE2 3.02Å |
| 473 | V | 88.2 | Confident | 86.5 | Confident | 44 Ų | 44 | 79 Ų | 79 | 27% | 0.267 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 166.7 | -174.1 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | V464 I465 N467 E471 | V464-V473 WeakPolarHBondContact CA-O 3.35Å; I465-V473 HydrophobicContact CD1-CG2 4.49Å; I465-V473 HydrophobicContact CG1-CG2 3.96Å; I465-V473 PolarHBondContact N-O 3.19Å; I465-V473 PolarHBondContact O-N 3.37Å; N467-V473 HydrophobicContact CB-CG2 3.96Å; E471-V473 HydrophobicContact CB-CG1 4.19Å; E471-V473 PolarHBondContact O-N 3.2Å |
| 474 | R | 87.2 | Confident | 86.5 | Confident | 96 Ų | 96 | 81.3 Ų | 81.3 | 36% | 0.362 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 130.3 | 170.5 | -179.8 | -170.9 | 168.5 | -177.8 | 14.2 | 110.4 | L463 D614 | L463-R474 CarbonylContact O-C 3.46Å; L463-R474 WeakPolarHBondContact O-CA 3.34Å; R474-D614 WeakPolarHBondContact CD-OD2 3.35Å; R474-D614 IonicContact CZ-OD2 3.34Å; R474-D614 IonicContact NE-OD2 2.76Å; R474-D614 PolarHBondContact NE-OD2 3.46Å; R474-D614 IonicContact NH1-OD2 3.49Å; R474-D614 PolarHBondContact NH1-OD2 3.23Å; R474-D614 VanDerWaalsContact NH1-OD2 3.1Å; R474-D614 IonicContact NH2-OD2 2.91Å; R474-D614 PolarHBondContact NH2-OD2 2.88Å |
| 475 | E | 86.3 | Confident | 86.7 | Confident | 35 Ų | 35 | 82.4 Ų | 82.4 | 16% | 0.164 | 43% | 0.43 | C | S | . | . | trans | -72.7 | 126.6 | 169.1 | -171.7 | -177.4 | -125.1 | 0 | 0 | 110.6 | K458 L463 I465 I477 | K458-E475 VanDerWaalsContact CE-OE1 3.26Å; K458-E475 WeakPolarHBondContact CE-OE1 3.37Å; K458-E475 VanDerWaalsContact NZ-CD 3.29Å; K458-E475 IonicContact NZ-OE1 3.59Å; K458-E475 PolarHBondContact NZ-OE1 3.06Å; K458-E475 IonicContact NZ-OE2 3.92Å; K458-E475 PolarHBondContact NZ-OE2 3.03Å; L463-E475 PolarHBondContact O-N 2.95Å; I465-E475 HydrophobicContact CD1-CB 3.86Å; I465-E475 HydrophobicContact CD1-CG 4.05Å; I465-E475 HydrophobicContact CG1-CB 4.08Å; I465-E475 HydrophobicContact CG2-CB 4.12Å; E475-I477 VanDerWaalsContact CG-O 3.25Å; E475-I477 WeakPolarHBondContact CG-O 3.34Å | ||
| 476 | M | 80.5 | Confident | 87 | Confident | 153 Ų | 153 | 80.8 Ų | 80.8 | 75% | 0.754 | 42% | 0.421 | S | S | * | . | trans | -99.7 | -19.4 | -177.8 | -62.5 | -69.4 | -87.8 | 0 | 0 | 113.2 | ||||
| 477 | I | 81.8 | Confident | 87.2 | Confident | 141 Ų | 141 | 81.4 Ų | 81.4 | 72% | 0.723 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -128.6 | 130 | -174.4 | -57.1 | 175.1 | 0 | 0 | 0 | 108.6 | E475 | E475-I477 VanDerWaalsContact CG-O 3.25Å; E475-I477 WeakPolarHBondContact CG-O 3.34Å |
| 478 | K | 80.5 | Confident | 87.5 | Confident | 129 Ų | 129 | 80.9 Ų | 80.9 | 56% | 0.561 | 42% | 0.42 | S | S | * | . | trans | -76.8 | 128.8 | 175.2 | -65.1 | -171.5 | 172.4 | -162.6 | 0 | 110.7 | E460 T480 I483 | E460-K478 IonicContact OE2-NZ 2.96Å; E460-K478 PolarHBondContact OE2-NZ 3.28Å; K478-T480 PolarHBondContact O-N 2.92Å; K478-I483 HydrophobicContact CB-CD1 4.28Å | ||
| 479 | D | 84 | Confident | 88 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 46% | 0.46 | 38% | 0.375 | S | S | . | . | trans | -84.3 | 105.5 | 171.4 | -177.7 | -17.6 | 0 | 0 | 0 | 110.6 | D481 A482 I483 | D479-D481 VanDerWaalsContact C-N 3.31Å; D479-D481 PolarHBondContact O-N 3.49Å; D479-D481 PolarHBondContact OD1-N 3.34Å; D479-A482 HydrophobicContact CB-CB 3.85Å; D479-A482 VanDerWaalsContact CG-CB 3.49Å; D479-A482 PolarHBondContact O-N 3.5Å; D479-A482 PolarHBondContact OD1-N 3.06Å; D479-I483 VanDerWaalsContact O-CG1 3.27Å; D479-I483 WeakPolarHBondContact O-CG1 2.9Å; D479-I483 PolarHBondContact O-N 3.45Å; D479-I483 VanDerWaalsContact O-N 3.13Å | ||
| 480 | T | 86.1 | Confident | 88.5 | Confident | 103 Ų | 103 | 65.6 Ų | 65.6 | 63% | 0.632 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.9 | -32.1 | -178 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | K478 I483 S484 | K478-T480 PolarHBondContact O-N 2.92Å; T480-I483 PolarHBondContact O-N 3.29Å; T480-S484 PolarHBondContact O-N 3.14Å; T480-S484 VanDerWaalsContact O-N 3.09Å |
| 481 | D | 85.6 | Confident | 89 | Confident | 103 Ų | 103 | 67.2 Ų | 67.2 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -74.5 | -40 | -178.9 | -74.4 | -4 | 0 | 0 | 0 | 110.3 | D479 I483 S484 L485 | D479-D481 VanDerWaalsContact C-N 3.31Å; D479-D481 PolarHBondContact O-N 3.49Å; D479-D481 PolarHBondContact OD1-N 3.34Å; D481-I483 VanDerWaalsContact C-N 3.34Å; D481-I483 PolarHBondContact O-N 3.42Å; D481-S484 PolarHBondContact O-N 3.29Å; D481-L485 WeakPolarHBondContact O-CB 3.28Å; D481-L485 PolarHBondContact O-N 3.48Å |
| 482 | A | 88.8 | Confident | 89.5 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 20% | 0.198 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D479 L485 Y486 | D479-A482 HydrophobicContact CB-CB 3.85Å; D479-A482 VanDerWaalsContact CG-CB 3.49Å; D479-A482 PolarHBondContact O-N 3.5Å; D479-A482 PolarHBondContact OD1-N 3.06Å; A482-L485 PolarHBondContact O-N 3.35Å; A482-Y486 VanDerWaalsContact O-CB 3.31Å; A482-Y486 WeakPolarHBondContact O-CB 3.25Å; A482-Y486 PolarHBondContact O-N 2.91Å |
| 483 | I | 89.6 | Confident | 90 | Very high | 29 Ų | 29 | 61.4 Ų | 61.4 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 176.1 | -68 | 167 | 0 | 0 | 0 | 111.2 | E460 K478 D479 T480 D481 Y486 K487 | E460-I483 HydrophobicContact CB-CD1 4.03Å; E460-I483 HydrophobicContact CB-CG1 4.15Å; K478-I483 HydrophobicContact CB-CD1 4.28Å; D479-I483 VanDerWaalsContact O-CG1 3.27Å; D479-I483 WeakPolarHBondContact O-CG1 2.9Å; D479-I483 PolarHBondContact O-N 3.45Å; D479-I483 VanDerWaalsContact O-N 3.13Å; T480-I483 PolarHBondContact O-N 3.29Å; D481-I483 VanDerWaalsContact C-N 3.34Å; D481-I483 PolarHBondContact O-N 3.42Å; I483-Y486 PolarHBondContact O-N 2.83Å; I483-K487 HydrophobicContact CG2-CD 4.49Å; I483-K487 WeakPolarHBondContact O-CG 3.49Å; I483-K487 PolarHBondContact O-N 2.88Å |
| 484 | S | 90.2 | Very high | 90.3 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 51% | 0.51 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 176.3 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | T480 D481 Y486 K487 T488 | T480-S484 PolarHBondContact O-N 3.14Å; T480-S484 VanDerWaalsContact O-N 3.09Å; D481-S484 PolarHBondContact O-N 3.29Å; S484-Y486 PolarHBondContact O-N 3.46Å; S484-K487 PolarHBondContact O-N 2.91Å; S484-T488 PolarHBondContact O-N 2.57Å; S484-T488 PolarHBondContact O-OG1 2.97Å |
| 485 | L | 94.4 | Very high | 90.7 | Very high | 26 Ų | 26 | 54.9 Ų | 54.9 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 175.7 | -180 | 61.1 | 0 | 0 | 0 | 111.7 | V391 F394 K395 L398 A457 D481 A482 K487 T488 M489 | V391-L485 HydrophobicContact CG1-CD2 4.32Å; F394-L485 HydrophobicContact CD1-CD1 4.13Å; F394-L485 HydrophobicContact CE1-CD1 4.27Å; K395-L485 HydrophobicContact CG-CD1 4.11Å; L398-L485 HydrophobicContact CD2-CD1 3.56Å; A457-L485 HydrophobicContact CB-CB 4.43Å; A457-L485 HydrophobicContact CB-CD2 4.15Å; A457-L485 HydrophobicContact CB-CG 4.07Å; D481-L485 WeakPolarHBondContact O-CB 3.28Å; D481-L485 PolarHBondContact O-N 3.48Å; A482-L485 PolarHBondContact O-N 3.35Å; L485-K487 VanDerWaalsContact C-N 3.32Å; L485-K487 PolarHBondContact O-N 3.35Å; L485-T488 PolarHBondContact O-N 2.63Å; L485-M489 HydrophobicContact CD1-CG 4.18Å; L485-M489 HydrophobicContact CD1-SD 4.38Å; L485-M489 HydrophobicContact CG-CG 4.35Å; L485-M489 HydrophobicContact CG-SD 4.17Å; L485-M489 VanDerWaalsContact O-CG 3.3Å; L485-M489 WeakPolarHBondContact O-CG 3.49Å; L485-M489 PolarHBondContact O-N 3.4Å |
| 486 | Y | 95.3 | Very high | 91.1 | Very high | 13 Ų | 13 | 53.2 Ų | 53.2 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.8 | -44.1 | 175.8 | 169.4 | -102.1 | 0 | 0 | 0 | 112.2 | M456 A457 P459 A482 I483 S484 M489 R490 S535 Y578 | M456-Y486 HydrophobicContact CE-CD2 4.21Å; M456-Y486 HydrophobicContact CE-CE2 3.88Å; A457-Y486 WeakPolarHBondContact O-CD2 3.4Å; P459-Y486 HydrophobicContact CB-CD2 4.25Å; P459-Y486 HydrophobicContact CB-CE1 4.15Å; P459-Y486 HydrophobicContact CB-CE2 3.79Å; A482-Y486 VanDerWaalsContact O-CB 3.31Å; A482-Y486 WeakPolarHBondContact O-CB 3.25Å; A482-Y486 PolarHBondContact O-N 2.91Å; I483-Y486 PolarHBondContact O-N 2.83Å; S484-Y486 PolarHBondContact O-N 3.46Å; Y486-M489 PolarHBondContact O-N 3.44Å; Y486-R490 VanDerWaalsContact O-CB 3.26Å; Y486-R490 WeakPolarHBondContact O-CB 3.48Å; Y486-R490 PolarHBondContact O-N 2.81Å; Y486-S535 WeakPolarHBondContact CE2-OG 3.44Å; Y486-S535 VanDerWaalsContact CZ-OG 3.32Å; Y486-S535 PolarHBondContact OH-OG 3.33Å; Y486-Y578 PolarHBondContact OH-OH 2.94Å |
| 487 | K | 92.9 | Very high | 91.8 | Very high | 122 Ų | 122 | 45.9 Ų | 45.9 | 53% | 0.53 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60 | -47.4 | 177.8 | -73.9 | 175.4 | 179.7 | -178.2 | 0 | 112 | I483 S484 L485 R490 E491 | I483-K487 HydrophobicContact CG2-CD 4.49Å; I483-K487 WeakPolarHBondContact O-CG 3.49Å; I483-K487 PolarHBondContact O-N 2.88Å; S484-K487 PolarHBondContact O-N 2.91Å; L485-K487 VanDerWaalsContact C-N 3.32Å; L485-K487 PolarHBondContact O-N 3.35Å; K487-R490 PolarHBondContact O-N 3.03Å; K487-E491 PolarHBondContact O-N 3.46Å |
| 488 | T | 94.3 | Very high | 92.3 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.2 | -38.8 | 178.3 | -50.7 | 0 | 0 | 0 | 0 | 112.2 | L398 N402 S484 L485 E491 T492 | L398-T488 HydrophobicContact CD2-CG2 3.74Å; L398-T488 HydrophobicContact CG-CG2 3.81Å; N402-T488 HydrophobicContact CB-CG2 4.23Å; N402-T488 PolarHBondContact ND2-O 3.38Å; S484-T488 PolarHBondContact O-N 2.57Å; S484-T488 PolarHBondContact O-OG1 2.97Å; L485-T488 PolarHBondContact O-N 2.63Å; T488-E491 PolarHBondContact O-N 3.4Å; T488-T492 WeakPolarHBondContact O-CB 3.39Å; T488-T492 PolarHBondContact O-N 3.4Å; T488-T492 PolarHBondContact O-OG1 2.91Å |
| 489 | M | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 175.5 | -70 | -169.2 | 76.3 | 0 | 0 | 112 | F394 L398 I452 R455 M456 A457 L485 Y486 T492 L493 | F394-M489 HydrophobicContact CE1-CE 3.79Å; F394-M489 HydrophobicContact CE1-CG 4.16Å; F394-M489 HydrophobicContact CE1-SD 3.72Å; F394-M489 HydrophobicContact CZ-CE 3.69Å; F394-M489 HydrophobicContact CZ-SD 4.27Å; L398-M489 HydrophobicContact CD1-CG 4.22Å; L398-M489 HydrophobicContact CD2-CG 3.53Å; I452-M489 HydrophobicContact CD1-CE 4.28Å; I452-M489 HydrophobicContact CG2-CE 4.05Å; I452-M489 WeakPolarHBondContact O-CE 3.44Å; R455-M489 HydrophobicContact CB-CE 4.06Å; R455-M489 WeakPolarHBondContact O-CE 3.15Å; M456-M489 HydrophobicContact CE-CB 4.47Å; M456-M489 HydrophobicContact SD-CB 3.8Å; M456-M489 HydrophobicContact SD-CE 4.17Å; A457-M489 HydrophobicContact CB-SD 4.02Å; A457-M489 PolarHBondContact N-SD 2.66Å; L485-M489 HydrophobicContact CD1-CG 4.18Å; L485-M489 HydrophobicContact CD1-SD 4.38Å; L485-M489 HydrophobicContact CG-CG 4.35Å; L485-M489 HydrophobicContact CG-SD 4.17Å; L485-M489 VanDerWaalsContact O-CG 3.3Å; L485-M489 WeakPolarHBondContact O-CG 3.49Å; L485-M489 PolarHBondContact O-N 3.4Å; Y486-M489 PolarHBondContact O-N 3.44Å; M489-T492 PolarHBondContact O-N 2.94Å; M489-L493 WeakPolarHBondContact O-CB 3.43Å; M489-L493 PolarHBondContact O-N 3.13Å |
| 490 | R | 96.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 7% | 0.068 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -50.1 | 174.7 | 170.8 | 169.1 | 179.2 | -112.6 | -7.3 | 111.4 | M456 Y486 K487 T492 L493 V494 S535 G1095 M1096 L1097 N1098 | M456-R490 HydrophobicContact CE-CB 4.17Å; Y486-R490 VanDerWaalsContact O-CB 3.26Å; Y486-R490 WeakPolarHBondContact O-CB 3.48Å; Y486-R490 PolarHBondContact O-N 2.81Å; K487-R490 PolarHBondContact O-N 3.03Å; R490-T492 VanDerWaalsContact C-N 3.3Å; R490-T492 PolarHBondContact O-N 3.31Å; R490-L493 PolarHBondContact O-N 3.07Å; R490-V494 HydrophobicContact CG-CG2 4.28Å; R490-V494 WeakPolarHBondContact O-CB 3.47Å; R490-V494 VanDerWaalsContact O-CG2 3.25Å; R490-V494 WeakPolarHBondContact O-CG2 3.2Å; R490-V494 PolarHBondContact O-N 2.89Å; R490-S535 WeakPolarHBondContact CG-O 3.43Å; R490-S535 PolarHBondContact NE-O 3.19Å; R490-G1095 PolarHBondContact NH2-O 3.13Å; R490-M1096 VanDerWaalsContact CZ-O 3.31Å; R490-M1096 PolarHBondContact NH1-O 2.71Å; R490-M1096 PolarHBondContact NH2-O 3.09Å; R490-L1097 PolarHBondContact NH2-O 3.29Å; R490-N1098 VanDerWaalsContact NH2-CA 3.31Å |
| 491 | E | 94.8 | Very high | 93.5 | Very high | 62 Ų | 62 | 31.9 Ų | 31.9 | 29% | 0.29 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -56.2 | -46.7 | 176.8 | 172.6 | 169.1 | -156 | 0 | 0 | 111.5 | N402 K487 T488 L493 V494 Y495 M1096 | N402-E491 VanDerWaalsContact ND2-CG 3.32Å; N402-E491 WeakPolarHBondContact ND2-CG 3.5Å; K487-E491 PolarHBondContact O-N 3.46Å; T488-E491 PolarHBondContact O-N 3.4Å; E491-L493 PolarHBondContact O-N 2.95Å; E491-V494 PolarHBondContact O-N 3.05Å; E491-Y495 HydrophobicContact CG-CD2 3.87Å; E491-Y495 HydrophobicContact CG-CE2 3.42Å; E491-Y495 VanDerWaalsContact CG-CE2 3.42Å; E491-Y495 WeakPolarHBondContact O-CD2 3.21Å; E491-Y495 PolarHBondContact O-N 3.08Å; E491-Y495 WeakPolarHBondContact OE1-CE2 3.32Å; E491-Y495 PolarHBondContact OE1-OH 3.36Å; E491-M1096 HydrophobicContact CB-SD 3.73Å; E491-M1096 HydrophobicContact CG-CE 4.02Å; E491-M1096 HydrophobicContact CG-SD 3.5Å; E491-M1096 WeakPolarHBondContact CG-SD 3.36Å |
| 492 | T | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.7 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | L398 W401 N402 V405 I452 T488 M489 R490 Y495 L496 | L398-T492 HydrophobicContact CD1-CG2 4.27Å; W401-T492 HydrophobicContact CB-CG2 4.41Å; N402-T492 WeakPolarHBondContact CB-OG1 3.32Å; N402-T492 PolarHBondContact ND2-OG1 3.49Å; V405-T492 HydrophobicContact CG2-CG2 3.96Å; I452-T492 HydrophobicContact CD1-CG2 4.47Å; T488-T492 WeakPolarHBondContact O-CB 3.39Å; T488-T492 PolarHBondContact O-N 3.4Å; T488-T492 PolarHBondContact O-OG1 2.91Å; M489-T492 PolarHBondContact O-N 2.94Å; R490-T492 VanDerWaalsContact C-N 3.3Å; R490-T492 PolarHBondContact O-N 3.31Å; T492-Y495 PolarHBondContact O-N 3.31Å; T492-L496 HydrophobicContact CG2-CD1 4.18Å; T492-L496 WeakPolarHBondContact O-CB 3.5Å; T492-L496 VanDerWaalsContact O-CG 3.31Å; T492-L496 WeakPolarHBondContact O-CG 3.39Å; T492-L496 PolarHBondContact O-N 3.48Å |
| 493 | L | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69 | -36.2 | -179.8 | -172.8 | 60.5 | 0 | 0 | 0 | 112.4 | I452 I453 M456 M489 R490 E491 L496 T497 M508 A532 I536 | I452-L493 HydrophobicContact CG2-CB 4.04Å; I452-L493 HydrophobicContact CG2-CD1 4.25Å; I453-L493 HydrophobicContact CD1-CD1 4.37Å; I453-L493 HydrophobicContact CG1-CD1 3.92Å; I453-L493 HydrophobicContact CG1-CD2 4.4Å; M456-L493 HydrophobicContact CE-CD2 4.27Å; M489-L493 WeakPolarHBondContact O-CB 3.43Å; M489-L493 PolarHBondContact O-N 3.13Å; R490-L493 PolarHBondContact O-N 3.07Å; E491-L493 PolarHBondContact O-N 2.95Å; L493-L496 PolarHBondContact O-N 2.84Å; L493-T497 WeakPolarHBondContact O-CB 3.36Å; L493-T497 PolarHBondContact O-N 3.49Å; L493-T497 PolarHBondContact O-OG1 2.88Å; L493-M508 HydrophobicContact CD2-CE 3.98Å; L493-A532 HydrophobicContact CD2-CB 3.81Å; L493-I536 HydrophobicContact CB-CG2 4.45Å; L493-I536 HydrophobicContact CD2-CG2 3.66Å; L493-I536 HydrophobicContact CG-CG2 3.58Å |
| 494 | V | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.1 | -47.4 | 174.5 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | R490 E491 T497 H498 A539 V1093 G1095 M1096 | R490-V494 HydrophobicContact CG-CG2 4.28Å; R490-V494 WeakPolarHBondContact O-CB 3.47Å; R490-V494 VanDerWaalsContact O-CG2 3.25Å; R490-V494 WeakPolarHBondContact O-CG2 3.2Å; R490-V494 PolarHBondContact O-N 2.89Å; E491-V494 PolarHBondContact O-N 3.05Å; V494-T497 PolarHBondContact O-N 2.91Å; V494-H498 PolarHBondContact O-N 3.44Å; V494-H498 PolarHBondContact O-ND1 3.18Å; V494-A539 HydrophobicContact CG1-CB 4.3Å; V494-V1093 HydrophobicContact CG1-CG1 4.4Å; V494-G1095 WeakPolarHBondContact CG2-O 3.49Å; V494-M1096 HydrophobicContact CB-CE 4.22Å; V494-M1096 HydrophobicContact CB-SD 4.41Å; V494-M1096 HydrophobicContact CG1-CE 3.79Å; V494-M1096 HydrophobicContact CG1-SD 4.32Å |
| 495 | Y | 94.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 174.7 | -72.8 | -55.1 | 0 | 0 | 0 | 112.2 | V405 C406 Y409 E491 T492 T497 H498 L499 V1093 M1096 | V405-Y495 HydrophobicContact CG2-CD2 3.92Å; V405-Y495 HydrophobicContact CG2-CG 4.11Å; C406-Y495 HydrophobicContact CB-CD2 4.08Å; C406-Y495 HydrophobicContact CB-CE2 3.68Å; Y409-Y495 AromaticContact CD1-CD1 3.84Å; Y409-Y495 HydrophobicContact CD1-CD1 3.84Å; Y409-Y495 AromaticContact CD1-CE1 3.66Å; Y409-Y495 HydrophobicContact CD1-CE1 3.66Å; Y409-Y495 HydrophobicContact CD2-CD1 4.18Å; Y409-Y495 HydrophobicContact CE1-CE1 4.28Å; Y409-Y495 AromaticContact CG-CD1 3.6Å; Y409-Y495 HydrophobicContact CG-CD1 3.6Å; Y409-Y495 AromaticContact CG-CE1 3.94Å; Y409-Y495 HydrophobicContact CG-CE1 3.94Å; E491-Y495 HydrophobicContact CG-CD2 3.87Å; E491-Y495 HydrophobicContact CG-CE2 3.42Å; E491-Y495 VanDerWaalsContact CG-CE2 3.42Å; E491-Y495 WeakPolarHBondContact O-CD2 3.21Å; E491-Y495 PolarHBondContact O-N 3.08Å; E491-Y495 WeakPolarHBondContact OE1-CE2 3.32Å; E491-Y495 PolarHBondContact OE1-OH 3.36Å; T492-Y495 PolarHBondContact O-N 3.31Å; Y495-T497 PolarHBondContact O-N 3.45Å; Y495-H498 PolarHBondContact O-N 3.09Å; Y495-H498 VanDerWaalsContact O-N 3.11Å; Y495-L499 WeakPolarHBondContact O-CG 3.49Å; Y495-L499 PolarHBondContact O-N 3.22Å; Y495-V1093 HydrophobicContact CE1-CG1 4.2Å; Y495-V1093 HydrophobicContact CE1-CG2 4.24Å; Y495-M1096 HydrophobicContact CD1-CE 3.96Å; Y495-M1096 HydrophobicContact CD2-CE 3.99Å; Y495-M1096 HydrophobicContact CE1-CE 3.51Å; Y495-M1096 HydrophobicContact CE2-CE 3.56Å; Y495-M1096 HydrophobicContact CG-CE 4.17Å |
| 496 | L | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.6 | -36.4 | 176.3 | -76.1 | 169.5 | 0 | 0 | 0 | 112.7 | V405 L445 L448 R449 I452 T492 L493 L499 D500 | V405-L496 HydrophobicContact CG1-CD2 3.57Å; V405-L496 HydrophobicContact CG1-CG 3.89Å; L445-L496 HydrophobicContact CB-CD2 4.23Å; L445-L496 HydrophobicContact CD2-CD2 3.9Å; L448-L496 HydrophobicContact CD2-CD1 4.09Å; L448-L496 HydrophobicContact CD2-CD2 4.14Å; L448-L496 HydrophobicContact CG-CD1 4Å; R449-L496 HydrophobicContact CG-CB 3.87Å; R449-L496 HydrophobicContact CG-CD1 3.93Å; R449-L496 HydrophobicContact CG-CD2 4.15Å; R449-L496 HydrophobicContact CG-CG 4.21Å; R449-L496 PolarHBondContact NE-O 3.34Å; R449-L496 VanDerWaalsContact NE-O 3.13Å; R449-L496 PolarHBondContact NH2-O 2.89Å; I452-L496 HydrophobicContact CG1-CD1 4.37Å; T492-L496 HydrophobicContact CG2-CD1 4.18Å; T492-L496 WeakPolarHBondContact O-CB 3.5Å; T492-L496 VanDerWaalsContact O-CG 3.31Å; T492-L496 WeakPolarHBondContact O-CG 3.39Å; T492-L496 PolarHBondContact O-N 3.48Å; L493-L496 PolarHBondContact O-N 2.84Å; L496-L499 PolarHBondContact O-N 3.3Å; L496-D500 PolarHBondContact O-N 3.47Å; L496-D500 VanDerWaalsContact O-N 3.15Å |
| 497 | T | 95 | Very high | 95 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.4 | -40.5 | 176.7 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | L493 V494 Y495 L499 D500 Y501 T504 A539 L540 | L493-T497 WeakPolarHBondContact O-CB 3.36Å; L493-T497 PolarHBondContact O-N 3.49Å; L493-T497 PolarHBondContact O-OG1 2.88Å; V494-T497 PolarHBondContact O-N 2.91Å; Y495-T497 PolarHBondContact O-N 3.45Å; T497-L499 VanDerWaalsContact C-N 3.31Å; T497-L499 PolarHBondContact O-N 3.15Å; T497-D500 CarbonylContact O-C 3.56Å; T497-D500 VanDerWaalsContact O-C 3.28Å; T497-D500 PolarHBondContact O-N 3.15Å; T497-Y501 WeakPolarHBondContact O-CA 3.14Å; T497-Y501 VanDerWaalsContact O-CB 3.29Å; T497-Y501 WeakPolarHBondContact O-CB 3.39Å; T497-Y501 PolarHBondContact O-N 3.26Å; T497-T504 HydrophobicContact CG2-CG2 4.27Å; T497-T504 PolarHBondContact OG1-OG1 2.71Å; T497-A539 HydrophobicContact CG2-CB 4.11Å; T497-L540 HydrophobicContact CG2-CD2 3.91Å |
| 498 | H | 91.7 | Very high | 95.2 | Very high | 21 Ų | 21 | 24.9 Ų | 24.9 | 10% | 0.097 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.5 | -33.2 | 173.4 | -73.1 | 83.8 | 0 | 0 | 0 | 113.2 | Y409 V494 Y495 P1094 | Y409-H498 HydrophobicContact CD2-CB 3.62Å; Y409-H498 HydrophobicContact CE2-CB 3.5Å; Y409-H498 AromaticContact CE2-CD2 3.86Å; Y409-H498 AromaticContact CE2-CG 3.68Å; V494-H498 PolarHBondContact O-N 3.44Å; V494-H498 PolarHBondContact O-ND1 3.18Å; Y495-H498 PolarHBondContact O-N 3.09Å; Y495-H498 VanDerWaalsContact O-N 3.11Å; H498-P1094 PolarHBondContact CE1-O 3.41Å |
| 499 | L | 90.9 | Very high | 95.4 | Very high | 25 Ų | 25 | 25 Ų | 25 | 13% | 0.131 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.8 | -37.7 | 178.7 | -70.8 | 174.5 | 0 | 0 | 0 | 112.4 | V405 L408 L445 Y495 L496 T497 | V405-L499 HydrophobicContact CB-CD1 4.12Å; V405-L499 HydrophobicContact CG1-CD1 4.36Å; L408-L499 HydrophobicContact CB-CD1 4.08Å; L408-L499 HydrophobicContact CB-CD2 4.06Å; L408-L499 HydrophobicContact CD1-CD1 4.47Å; L445-L499 HydrophobicContact CD1-CD1 4.08Å; Y495-L499 WeakPolarHBondContact O-CG 3.49Å; Y495-L499 PolarHBondContact O-N 3.22Å; L496-L499 PolarHBondContact O-N 3.3Å; T497-L499 VanDerWaalsContact C-N 3.31Å; T497-L499 PolarHBondContact O-N 3.15Å |
| 500 | D | 91.9 | Very high | 95.3 | Very high | 57 Ų | 57 | 29.4 Ų | 29.4 | 31% | 0.305 | 14% | 0.14 | S | C | . | . | trans | -160.6 | 95 | 171.3 | -171 | -18 | 0 | 0 | 0 | 110.2 | R449 L496 T497 T502 D503 T504 | R449-D500 VanDerWaalsContact NH2-CB 3.31Å; L496-D500 PolarHBondContact O-N 3.47Å; L496-D500 VanDerWaalsContact O-N 3.15Å; T497-D500 CarbonylContact O-C 3.56Å; T497-D500 VanDerWaalsContact O-C 3.28Å; T497-D500 PolarHBondContact O-N 3.15Å; D500-T502 VanDerWaalsContact C-N 3.28Å; D500-T502 PolarHBondContact O-N 3.45Å; D500-T502 PolarHBondContact OD1-N 3.11Å; D500-T502 VanDerWaalsContact OD1-N 3.08Å; D500-T502 PolarHBondContact OD1-OG1 2.89Å; D500-D503 HydrophobicContact CB-CB 4.24Å; D500-D503 PolarHBondContact OD1-N 3.03Å; D500-T504 PolarHBondContact O-N 3.41Å; D500-T504 PolarHBondContact O-OG1 2.94Å | ||
| 501 | Y | 92.6 | Very high | 95.4 | Very high | 62 Ų | 62 | 29.6 Ų | 29.6 | 24% | 0.243 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72.4 | -27.1 | -178.3 | 81.2 | -87.4 | 0 | 0 | 0 | 111.8 | T497 T504 E505 L540 D544 | T497-Y501 WeakPolarHBondContact O-CA 3.14Å; T497-Y501 VanDerWaalsContact O-CB 3.29Å; T497-Y501 WeakPolarHBondContact O-CB 3.39Å; T497-Y501 PolarHBondContact O-N 3.26Å; Y501-T504 PolarHBondContact O-N 3.24Å; Y501-E505 WeakPolarHBondContact O-CB 3.33Å; Y501-E505 PolarHBondContact O-N 2.74Å; Y501-L540 HydrophobicContact CD2-CD2 3.9Å; Y501-L540 HydrophobicContact CG-CD2 4.14Å; Y501-D544 HydrophobicContact CE2-CB 4.34Å |
| 502 | T | 94.4 | Very high | 95.5 | Very high | 77 Ų | 77 | 26.7 Ų | 26.7 | 47% | 0.472 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -68.7 | -38.7 | -179.2 | 65.8 | 0 | 0 | 0 | 0 | 111 | D500 R506 | D500-T502 VanDerWaalsContact C-N 3.28Å; D500-T502 PolarHBondContact O-N 3.45Å; D500-T502 PolarHBondContact OD1-N 3.11Å; D500-T502 VanDerWaalsContact OD1-N 3.08Å; D500-T502 PolarHBondContact OD1-OG1 2.89Å; T502-R506 VanDerWaalsContact O-CB 3.27Å; T502-R506 WeakPolarHBondContact O-CB 3.4Å; T502-R506 PolarHBondContact O-N 3.33Å |
| 503 | D | 94.9 | Very high | 95.4 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.3 | -40.6 | 173.3 | -170.5 | 49 | 0 | 0 | 0 | 111.7 | S446 R449 D500 R506 I507 | S446-D503 WeakPolarHBondContact CA-OD2 3.26Å; S446-D503 WeakPolarHBondContact CB-OD2 3.36Å; S446-D503 PolarHBondContact OG-OD1 2.82Å; S446-D503 PolarHBondContact OG-OD2 3.13Å; R449-D503 IonicContact CZ-OD2 3.28Å; R449-D503 IonicContact NE-OD2 2.82Å; R449-D503 IonicContact NH1-OD2 2.7Å; R449-D503 PolarHBondContact NH1-OD2 3.47Å; D500-D503 HydrophobicContact CB-CB 4.24Å; D500-D503 PolarHBondContact OD1-N 3.03Å; D503-R506 PolarHBondContact O-N 2.89Å; D503-R506 IonicContact OD1-CZ 3.73Å; D503-R506 IonicContact OD1-NE 2.69Å; D503-R506 PolarHBondContact OD1-NE 2.98Å; D503-R506 IonicContact OD1-NH2 2.87Å; D503-R506 PolarHBondContact OD1-NH2 3.44Å; D503-I507 VanDerWaalsContact O-CG1 3.29Å; D503-I507 WeakPolarHBondContact O-CG1 3.46Å; D503-I507 PolarHBondContact O-N 3.06Å |
| 504 | T | 96.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.2 | -50.3 | 173.2 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | R449 T497 D500 Y501 R506 I507 M508 I536 | R449-T504 WeakPolarHBondContact CD-OG1 3.37Å; R449-T504 PolarHBondContact NE-OG1 3.42Å; T497-T504 HydrophobicContact CG2-CG2 4.27Å; T497-T504 PolarHBondContact OG1-OG1 2.71Å; D500-T504 PolarHBondContact O-N 3.41Å; D500-T504 PolarHBondContact O-OG1 2.94Å; Y501-T504 PolarHBondContact O-N 3.24Å; T504-R506 VanDerWaalsContact C-N 3.34Å; T504-R506 PolarHBondContact O-N 2.95Å; T504-I507 PolarHBondContact O-N 2.86Å; T504-M508 HydrophobicContact CG2-CE 3.79Å; T504-M508 HydrophobicContact CG2-CG 4.42Å; T504-M508 HydrophobicContact CG2-SD 3.97Å; T504-M508 WeakPolarHBondContact O-CG 3.23Å; T504-M508 PolarHBondContact O-N 3.48Å; T504-I536 HydrophobicContact CG2-CD1 4.34Å |
| 505 | E | 96.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 31.8 Ų | 31.8 | 11% | 0.107 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 178.8 | -175.7 | -179.6 | 166.7 | 0 | 0 | 110.9 | Y501 M508 T509 R547 F548 | Y501-E505 WeakPolarHBondContact O-CB 3.33Å; Y501-E505 PolarHBondContact O-N 2.74Å; E505-M508 PolarHBondContact O-N 2.93Å; E505-T509 WeakPolarHBondContact O-CB 3.33Å; E505-T509 PolarHBondContact O-N 3.23Å; E505-T509 PolarHBondContact O-OG1 3.49Å; E505-R547 VanDerWaalsContact CD-NH2 3.25Å; E505-R547 IonicContact OE1-CZ 2.75Å; E505-R547 IonicContact OE1-NE 3.07Å; E505-R547 PolarHBondContact OE1-NE 3.22Å; E505-R547 IonicContact OE1-NH2 3.87Å; E505-R547 PolarHBondContact OE1-NH2 3.06Å; E505-R547 IonicContact OE2-CZ 3.9Å; E505-R547 IonicContact OE2-NH2 2.72Å; E505-R547 PolarHBondContact OE2-NH2 3.36Å; E505-F548 HydrophobicContact CG-CD2 3.81Å; E505-F548 HydrophobicContact CG-CE2 4.24Å |
| 506 | R | 96.7 | Very high | 95.3 | Very high | 120 Ų | 120 | 33.2 Ų | 33.2 | 45% | 0.453 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.3 | -49.7 | 176.9 | -175 | -169.7 | 65.6 | 75.8 | -0.1 | 111.7 | T502 D503 T504 T509 E510 | T502-R506 VanDerWaalsContact O-CB 3.27Å; T502-R506 WeakPolarHBondContact O-CB 3.4Å; T502-R506 PolarHBondContact O-N 3.33Å; D503-R506 PolarHBondContact O-N 2.89Å; D503-R506 IonicContact OD1-CZ 3.73Å; D503-R506 IonicContact OD1-NE 2.69Å; D503-R506 PolarHBondContact OD1-NE 2.98Å; D503-R506 IonicContact OD1-NH2 2.87Å; D503-R506 PolarHBondContact OD1-NH2 3.44Å; T504-R506 VanDerWaalsContact C-N 3.34Å; T504-R506 PolarHBondContact O-N 2.95Å; R506-T509 PolarHBondContact O-N 3.24Å; R506-E510 IonicContact NH1-OE2 2.58Å; R506-E510 PolarHBondContact NH1-OE2 3.38Å; R506-E510 WeakPolarHBondContact O-CB 3.48Å; R506-E510 PolarHBondContact O-N 3Å |
| 507 | I | 97.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64 | -46 | -179 | -67.8 | 166.4 | 0 | 0 | 0 | 111 | R449 Y450 I453 D503 T504 T509 E510 K511 | R449-I507 HydrophobicContact CB-CD1 3.7Å; Y450-I507 HydrophobicContact CD2-CG2 4.05Å; I453-I507 HydrophobicContact CD1-CB 4.26Å; I453-I507 HydrophobicContact CD1-CG2 3.71Å; D503-I507 VanDerWaalsContact O-CG1 3.29Å; D503-I507 WeakPolarHBondContact O-CG1 3.46Å; D503-I507 PolarHBondContact O-N 3.06Å; T504-I507 PolarHBondContact O-N 2.86Å; I507-T509 VanDerWaalsContact C-N 3.34Å; I507-T509 PolarHBondContact O-N 3.36Å; I507-E510 PolarHBondContact O-N 3.27Å; I507-K511 HydrophobicContact CG2-CD 4.26Å; I507-K511 WeakPolarHBondContact O-CB 3.39Å; I507-K511 WeakPolarHBondContact O-CG 3.5Å; I507-K511 PolarHBondContact O-N 3.31Å |
| 508 | M | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 178.6 | -71.1 | -177.5 | 172.5 | 0 | 0 | 111.6 | I453 L493 T504 E505 L512 L529 A532 I533 I536 F548 | I453-M508 HydrophobicContact CD1-CE 3.98Å; I453-M508 HydrophobicContact CD1-CG 3.82Å; I453-M508 HydrophobicContact CG1-CE 4.05Å; L493-M508 HydrophobicContact CD2-CE 3.98Å; T504-M508 HydrophobicContact CG2-CE 3.79Å; T504-M508 HydrophobicContact CG2-CG 4.42Å; T504-M508 HydrophobicContact CG2-SD 3.97Å; T504-M508 WeakPolarHBondContact O-CG 3.23Å; T504-M508 PolarHBondContact O-N 3.48Å; E505-M508 PolarHBondContact O-N 2.93Å; M508-L512 WeakPolarHBondContact O-CB 2.89Å; M508-L512 PolarHBondContact O-N 2.94Å; M508-L529 HydrophobicContact CB-CD1 4.24Å; M508-L529 HydrophobicContact CG-CD1 4.33Å; M508-A532 HydrophobicContact CE-CB 3.98Å; M508-I533 HydrophobicContact CB-CG1 4.45Å; M508-I533 HydrophobicContact CG-CG1 4.36Å; M508-I533 HydrophobicContact SD-CG1 3.78Å; M508-I536 HydrophobicContact CE-CD1 3.84Å; M508-I536 HydrophobicContact CE-CG1 4.28Å; M508-I536 HydrophobicContact CE-CG2 4.21Å; M508-I536 HydrophobicContact SD-CD1 3.73Å; M508-F548 HydrophobicContact CB-CE2 4.23Å; M508-F548 HydrophobicContact CB-CZ 4.09Å; M508-F548 HydrophobicContact SD-CE1 4.4Å; M508-F548 HydrophobicContact SD-CZ 3.77Å |
| 509 | T | 97 | Very high | 95.2 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -46.8 | 177.3 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | E505 R506 I507 K511 L512 Q513 M551 | E505-T509 WeakPolarHBondContact O-CB 3.33Å; E505-T509 PolarHBondContact O-N 3.23Å; E505-T509 PolarHBondContact O-OG1 3.49Å; R506-T509 PolarHBondContact O-N 3.24Å; I507-T509 VanDerWaalsContact C-N 3.34Å; I507-T509 PolarHBondContact O-N 3.36Å; T509-K511 PolarHBondContact O-N 3.07Å; T509-L512 PolarHBondContact O-N 3.35Å; T509-Q513 WeakPolarHBondContact O-CG 3.39Å; T509-Q513 PolarHBondContact O-N 2.88Å; T509-M551 HydrophobicContact CG2-CE 3.85Å; T509-M551 HydrophobicContact CG2-SD 3.77Å; T509-M551 WeakPolarHBondContact OG1-CE 3.41Å |
| 510 | E | 96.9 | Very high | 95.3 | Very high | 94 Ų | 94 | 45.7 Ų | 45.7 | 44% | 0.439 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.4 | -47.3 | 177.9 | -176.1 | 179.2 | 173.1 | 0 | 0 | 111.3 | R506 I507 L512 Q513 N514 | R506-E510 IonicContact NH1-OE2 2.58Å; R506-E510 PolarHBondContact NH1-OE2 3.38Å; R506-E510 WeakPolarHBondContact O-CB 3.48Å; R506-E510 PolarHBondContact O-N 3Å; I507-E510 PolarHBondContact O-N 3.27Å; E510-L512 VanDerWaalsContact C-N 3.35Å; E510-L512 PolarHBondContact O-N 2.96Å; E510-Q513 PolarHBondContact O-N 3.49Å; E510-N514 PolarHBondContact O-N 3.4Å |
| 511 | K | 97 | Very high | 95.5 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 10% | 0.096 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 176 | -75.8 | -175.5 | 170.6 | -62.3 | 0 | 112.4 | Y450 I453 I507 T509 N514 Q515 L529 | Y450-K511 VanDerWaalsContact CE2-CE 3.41Å; Y450-K511 VanDerWaalsContact CE2-NZ 3.29Å; Y450-K511 PolarHBondContact OH-NZ 3.3Å; I453-K511 HydrophobicContact CG2-CD 3.75Å; I507-K511 HydrophobicContact CG2-CD 4.26Å; I507-K511 WeakPolarHBondContact O-CB 3.39Å; I507-K511 WeakPolarHBondContact O-CG 3.5Å; I507-K511 PolarHBondContact O-N 3.31Å; T509-K511 PolarHBondContact O-N 3.07Å; K511-N514 PolarHBondContact O-N 3.06Å; K511-Q515 WeakPolarHBondContact O-CG 3.5Å; K511-Q515 PolarHBondContact O-N 3.01Å; K511-Q515 VanDerWaalsContact O-N 3.09Å; K511-L529 HydrophobicContact CB-CD1 3.87Å; K511-L529 HydrophobicContact CB-CD2 3.97Å; K511-L529 HydrophobicContact CB-CG 4.48Å; K511-L529 HydrophobicContact CD-CD1 4.46Å |
| 512 | L | 96.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 177.5 | -174.3 | 57.7 | 0 | 0 | 0 | 111.3 | M508 T509 E510 N514 Q515 V516 L529 V552 D555 L556 | M508-L512 WeakPolarHBondContact O-CB 2.89Å; M508-L512 PolarHBondContact O-N 2.94Å; T509-L512 PolarHBondContact O-N 3.35Å; E510-L512 VanDerWaalsContact C-N 3.35Å; E510-L512 PolarHBondContact O-N 2.96Å; L512-N514 VanDerWaalsContact C-N 3.28Å; L512-N514 PolarHBondContact O-N 3.14Å; L512-Q515 WeakPolarHBondContact O-CB 2.87Å; L512-Q515 PolarHBondContact O-N 3.46Å; L512-V516 WeakPolarHBondContact O-CG2 3.45Å; L512-V516 PolarHBondContact O-N 2.94Å; L512-L529 HydrophobicContact CB-CD2 3.89Å; L512-L529 HydrophobicContact CD1-CD2 4.09Å; L512-V552 HydrophobicContact CD2-CB 4.34Å; L512-V552 HydrophobicContact CD2-CG1 4.43Å; L512-V552 HydrophobicContact CD2-CG2 4.15Å; L512-D555 HydrophobicContact CD2-CB 4.01Å; L512-D555 HydrophobicContact CG-CB 4.39Å; L512-L556 HydrophobicContact CD1-CD2 4.05Å |
| 513 | Q | 96.4 | Very high | 95.7 | Very high | 75 Ų | 75 | 43.4 Ų | 43.4 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.1 | -38.4 | 175.4 | -68 | -55.2 | -39.8 | 0 | 0 | 111.8 | T509 E510 Q515 V516 N517 D555 | T509-Q513 WeakPolarHBondContact O-CG 3.39Å; T509-Q513 PolarHBondContact O-N 2.88Å; E510-Q513 PolarHBondContact O-N 3.49Å; Q513-Q515 VanDerWaalsContact C-N 3.27Å; Q513-Q515 PolarHBondContact O-N 3.25Å; Q513-V516 PolarHBondContact O-N 3.5Å; Q513-N517 WeakPolarHBondContact O-CB 3.4Å; Q513-N517 PolarHBondContact O-N 2.81Å; Q513-N517 PolarHBondContact O-ND2 2.77Å; Q513-N517 PolarHBondContact O-OD1 3.33Å; Q513-D555 PolarHBondContact NE2-OD2 3.24Å |
| 514 | N | 96.6 | Very high | 95.6 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 16% | 0.155 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66 | -24.9 | 174.8 | -70.1 | -13.8 | 0 | 0 | 0 | 113.8 | E510 K511 L512 N517 G518 I519 E520 | E510-N514 PolarHBondContact O-N 3.4Å; K511-N514 PolarHBondContact O-N 3.06Å; L512-N514 VanDerWaalsContact C-N 3.28Å; L512-N514 PolarHBondContact O-N 3.14Å; N514-N517 VanDerWaalsContact CA-OD1 3.26Å; N514-N517 WeakPolarHBondContact CA-OD1 3.27Å; N514-N517 PolarHBondContact O-OD1 2.8Å; N514-G518 PolarHBondContact O-N 2.88Å; N514-I519 PolarHBondContact O-N 3.31Å; N514-I519 VanDerWaalsContact O-N 3.15Å; N514-E520 HydrophobicContact CB-CB 4.05Å; N514-E520 HydrophobicContact CB-CG 3.96Å; N514-E520 PolarHBondContact O-N 3.22Å |
| 515 | Q | 96.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -75.3 | -44.1 | 169.5 | -64.1 | -54.4 | -58.7 | 0 | 0 | 111.6 | K511 L512 Q513 G518 E520 L526 L529 L559 | K511-Q515 WeakPolarHBondContact O-CG 3.5Å; K511-Q515 PolarHBondContact O-N 3.01Å; K511-Q515 VanDerWaalsContact O-N 3.09Å; L512-Q515 WeakPolarHBondContact O-CB 2.87Å; L512-Q515 PolarHBondContact O-N 3.46Å; Q513-Q515 VanDerWaalsContact C-N 3.27Å; Q513-Q515 PolarHBondContact O-N 3.25Å; Q515-G518 PolarHBondContact O-N 3.46Å; Q515-E520 VanDerWaalsContact NE2-C 3.33Å; Q515-E520 PolarHBondContact NE2-O 2.84Å; Q515-E520 PolarHBondContact OE1-O 3.49Å; Q515-L526 HydrophobicContact CB-CD1 4.28Å; Q515-L526 HydrophobicContact CG-CD1 4.11Å; Q515-L529 HydrophobicContact CG-CD2 4.31Å; Q515-L559 HydrophobicContact CB-CD2 4.49Å |
| 516 | V | 94.1 | Very high | 95.7 | Very high | 33 Ų | 33 | 50.2 Ų | 50.2 | 20% | 0.2 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.7 | -43.9 | -177.5 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | L512 Q513 G518 D555 | L512-V516 WeakPolarHBondContact O-CG2 3.45Å; L512-V516 PolarHBondContact O-N 2.94Å; Q513-V516 PolarHBondContact O-N 3.5Å; V516-G518 VanDerWaalsContact C-N 3.26Å; V516-G518 PolarHBondContact O-N 3.38Å; V516-D555 HydrophobicContact CG2-CB 4.28Å |
| 517 | N | 93.6 | Very high | 95.7 | Very high | 87 Ų | 87 | 45.5 Ų | 45.5 | 47% | 0.465 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -76.4 | -13.1 | 178.7 | 69.5 | 21 | 0 | 0 | 0 | 113.4 | Q513 N514 I519 | Q513-N517 WeakPolarHBondContact O-CB 3.4Å; Q513-N517 PolarHBondContact O-N 2.81Å; Q513-N517 PolarHBondContact O-ND2 2.77Å; Q513-N517 PolarHBondContact O-OD1 3.33Å; N514-N517 VanDerWaalsContact CA-OD1 3.26Å; N514-N517 WeakPolarHBondContact CA-OD1 3.27Å; N514-N517 PolarHBondContact O-OD1 2.8Å; N517-I519 WeakPolarHBondContact ND2-CD1 3.33Å; N517-I519 WeakPolarHBondContact OD1-CB 3.46Å; N517-I519 WeakPolarHBondContact OD1-CG1 3.35Å; N517-I519 PolarHBondContact OD1-N 2.67Å |
| 518 | G | 91.8 | Very high | 95.7 | Very high | 38 Ų | 38 | 45.9 Ų | 45.9 | 39% | 0.392 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 87.8 | 2.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | N514 Q515 V516 E520 | N514-G518 PolarHBondContact O-N 2.88Å; Q515-G518 PolarHBondContact O-N 3.46Å; V516-G518 VanDerWaalsContact C-N 3.26Å; V516-G518 PolarHBondContact O-N 3.38Å; G518-E520 PolarHBondContact O-N 3.44Å |
| 519 | I | 93.9 | Very high | 95.7 | Very high | 125 Ų | 125 | 45.9 Ų | 45.9 | 64% | 0.641 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -63 | -41.4 | -179.8 | -65.9 | 172.1 | 0 | 0 | 0 | 111.2 | N514 N517 | N514-I519 PolarHBondContact O-N 3.31Å; N514-I519 VanDerWaalsContact O-N 3.15Å; N517-I519 WeakPolarHBondContact ND2-CD1 3.33Å; N517-I519 WeakPolarHBondContact OD1-CB 3.46Å; N517-I519 WeakPolarHBondContact OD1-CG1 3.35Å; N517-I519 PolarHBondContact OD1-N 2.67Å |
| 520 | E | 94 | Very high | 95.8 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 27% | 0.271 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -118.5 | 16.8 | -177.5 | -64.7 | -174.8 | 168.9 | 0 | 0 | 112.8 | N514 Q515 G518 S522 N525 | N514-E520 HydrophobicContact CB-CB 4.05Å; N514-E520 HydrophobicContact CB-CG 3.96Å; N514-E520 PolarHBondContact O-N 3.22Å; Q515-E520 VanDerWaalsContact NE2-C 3.33Å; Q515-E520 PolarHBondContact NE2-O 2.84Å; Q515-E520 PolarHBondContact OE1-O 3.49Å; G518-E520 PolarHBondContact O-N 3.44Å; E520-S522 PolarHBondContact O-N 3.2Å; E520-S522 VanDerWaalsContact O-N 3.09Å; E520-N525 PolarHBondContact O-ND2 3.16Å |
| 521 | W | 95.4 | Very high | 95.8 | Very high | 61 Ų | 61 | 41.1 Ų | 41.1 | 23% | 0.231 | 21% | 0.211 | C | C | . | . | trans | -57.6 | 115.6 | -174.6 | 170.6 | -99.5 | 0 | 0 | 0 | 112 | L526 L559 K563 I572 | W521-L526 HydrophobicContact CH2-CD2 4.13Å; W521-L526 HydrophobicContact CZ3-CD2 3.89Å; W521-L559 HydrophobicContact CE3-CD1 4.37Å; W521-L559 HydrophobicContact CE3-CD2 4.4Å; W521-L559 HydrophobicContact CZ3-CD1 4.09Å; W521-L559 HydrophobicContact CZ3-CD2 3.73Å; W521-L559 HydrophobicContact CZ3-CG 4.06Å; W521-K563 VanDerWaalsContact CD1-NZ 3.35Å; W521-K563 HydrophobicContact CD2-CD 4.3Å; W521-K563 VanDerWaalsContact CD2-CE 3.43Å; W521-K563 HydrophobicContact CH2-CD 4.18Å; W521-K563 HydrophobicContact CH2-CG 3.95Å; W521-K563 HydrophobicContact CZ2-CD 3.83Å; W521-K563 HydrophobicContact CZ2-CG 4.04Å; W521-K563 HydrophobicContact CZ3-CG 4.37Å; W521-I572 HydrophobicContact CH2-CD1 3.94Å; W521-I572 HydrophobicContact CH2-CG1 4.06Å | ||
| 522 | S | 94.9 | Very high | 95.9 | Very high | 39 Ų | 39 | 40.1 Ų | 40.1 | 27% | 0.273 | 21% | 0.206 | S | C | . | . | trans | -157.8 | 156.7 | 165 | 66.4 | 0 | 0 | 0 | 0 | 109.1 | E520 K524 N525 L526 | E520-S522 PolarHBondContact O-N 3.2Å; E520-S522 VanDerWaalsContact O-N 3.09Å; S522-K524 VanDerWaalsContact C-N 3.3Å; S522-K524 PolarHBondContact O-N 3.3Å; S522-N525 PolarHBondContact O-N 3.27Å; S522-N525 VanDerWaalsContact OG-CB 3.29Å; S522-N525 WeakPolarHBondContact OG-CB 3.48Å; S522-N525 PolarHBondContact OG-N 2.72Å; S522-N525 VanDerWaalsContact OG-N 3.09Å; S522-N525 PolarHBondContact OG-ND2 3Å; S522-N525 VanDerWaalsContact OG-ND2 3.13Å; S522-L526 PolarHBondContact O-N 2.95Å | ||
| 523 | W | 95.1 | Very high | 95.9 | Very high | 49 Ų | 49 | 40 Ų | 40 | 19% | 0.186 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 175.6 | -58.1 | -22.3 | 0 | 0 | 0 | 111.1 | E466 V472 N525 L526 N527 D567 N568 V571 | E466-W523 HydrophobicContact CB-CE3 4.37Å; E466-W523 HydrophobicContact CG-CE3 4.07Å; E466-W523 HydrophobicContact CG-CZ3 3.98Å; V472-W523 HydrophobicContact CG2-CE3 4.23Å; V472-W523 HydrophobicContact CG2-CH2 3.88Å; V472-W523 HydrophobicContact CG2-CZ2 4.35Å; V472-W523 HydrophobicContact CG2-CZ3 3.82Å; W523-N525 PolarHBondContact O-N 3.28Å; W523-L526 PolarHBondContact O-N 2.89Å; W523-N527 WeakPolarHBondContact O-CB 3.22Å; W523-N527 PolarHBondContact O-N 3.49Å; W523-N527 PolarHBondContact O-ND2 2.88Å; W523-D567 HydrophobicContact CH2-CB 4.04Å; W523-D567 HydrophobicContact CZ2-CB 3.82Å; W523-N568 PolarHBondContact NE1-OD1 3.09Å; W523-V571 HydrophobicContact CB-CG1 4.12Å; W523-V571 HydrophobicContact CD2-CG2 4.25Å; W523-V571 HydrophobicContact CG-CG1 4.18Å; W523-V571 HydrophobicContact CG-CG2 4.13Å |
| 524 | K | 94.4 | Very high | 95.9 | Very high | 124 Ų | 124 | 36.5 Ų | 36.5 | 54% | 0.539 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -55.1 | -47.9 | 176.4 | -175.9 | 178.1 | 178 | 179.8 | 0 | 112.9 | E389 S522 T528 | E389-K524 IonicContact OE1-NZ 3.64Å; S522-K524 VanDerWaalsContact C-N 3.3Å; S522-K524 PolarHBondContact O-N 3.3Å; K524-T528 WeakPolarHBondContact O-CG2 3.41Å; K524-T528 PolarHBondContact O-N 3.07Å; K524-T528 PolarHBondContact O-OG1 3.15Å |
| 525 | N | 96.5 | Very high | 95.9 | Very high | 60 Ų | 60 | 35.1 Ų | 35.1 | 32% | 0.321 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -71.7 | -39.7 | -177.4 | -67.3 | -17 | 0 | 0 | 0 | 112.2 | E520 S522 W523 T528 L529 | E520-N525 PolarHBondContact O-ND2 3.16Å; S522-N525 PolarHBondContact O-N 3.27Å; S522-N525 VanDerWaalsContact OG-CB 3.29Å; S522-N525 WeakPolarHBondContact OG-CB 3.48Å; S522-N525 PolarHBondContact OG-N 2.72Å; S522-N525 VanDerWaalsContact OG-N 3.09Å; S522-N525 PolarHBondContact OG-ND2 3Å; S522-N525 VanDerWaalsContact OG-ND2 3.13Å; W523-N525 PolarHBondContact O-N 3.28Å; N525-T528 PolarHBondContact O-OG1 2.91Å; N525-L529 VanDerWaalsContact O-CB 3.3Å; N525-L529 WeakPolarHBondContact O-CB 3.45Å; N525-L529 PolarHBondContact O-N 3.46Å |
| 526 | L | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 175.5 | -177.9 | 70.1 | 0 | 0 | 0 | 111.3 | Q515 W521 S522 W523 L529 C530 L556 L559 V571 I572 | Q515-L526 HydrophobicContact CB-CD1 4.28Å; Q515-L526 HydrophobicContact CG-CD1 4.11Å; W521-L526 HydrophobicContact CH2-CD2 4.13Å; W521-L526 HydrophobicContact CZ3-CD2 3.89Å; S522-L526 PolarHBondContact O-N 2.95Å; W523-L526 PolarHBondContact O-N 2.89Å; L526-L529 PolarHBondContact O-N 3.01Å; L526-C530 WeakPolarHBondContact O-CB 3.38Å; L526-C530 PolarHBondContact O-N 3.03Å; L526-C530 PolarHBondContact O-SG 2.93Å; L526-L556 HydrophobicContact CD1-CD2 3.93Å; L526-L559 HydrophobicContact CD1-CD2 3.95Å; L526-L559 HydrophobicContact CD2-CD2 4.33Å; L526-V571 HydrophobicContact CD2-CG1 4.44Å; L526-I572 HydrophobicContact CD2-CG1 3.81Å |
| 527 | N | 97.2 | Very high | 95.9 | Very high | 20 Ų | 20 | 33.8 Ų | 33.8 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.8 | -57.7 | 179.8 | -77.8 | -8.8 | 0 | 0 | 0 | 111.1 | W523 L529 C530 W531 V571 N575 | W523-N527 WeakPolarHBondContact O-CB 3.22Å; W523-N527 PolarHBondContact O-N 3.49Å; W523-N527 PolarHBondContact O-ND2 2.88Å; N527-L529 VanDerWaalsContact C-N 3.25Å; N527-L529 PolarHBondContact O-N 3.42Å; N527-C530 PolarHBondContact O-N 3.24Å; N527-C530 VanDerWaalsContact O-N 3.12Å; N527-W531 HydrophobicContact CB-CD2 4.25Å; N527-W531 HydrophobicContact CB-CH2 3.92Å; N527-W531 HydrophobicContact CB-CZ2 3.58Å; N527-W531 HydrophobicContact CB-CZ3 4.37Å; N527-W531 WeakPolarHBondContact O-CB 3.41Å; N527-W531 VanDerWaalsContact O-CD1 3.27Å; N527-W531 VanDerWaalsContact O-CD2 3.29Å; N527-W531 PolarHBondContact O-N 3.45Å; N527-V571 WeakPolarHBondContact OD1-CG1 3.37Å; N527-N575 PolarHBondContact OD1-ND2 2.98Å; N527-N575 PolarHBondContact OD1-OD1 3.41Å |
| 528 | T | 97.3 | Very high | 95.7 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.5 | -39.5 | -179.6 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | M456 K524 N525 W531 A532 | M456-T528 WeakPolarHBondContact CB-O 3.34Å; K524-T528 WeakPolarHBondContact O-CG2 3.41Å; K524-T528 PolarHBondContact O-N 3.07Å; K524-T528 PolarHBondContact O-OG1 3.15Å; N525-T528 PolarHBondContact O-OG1 2.91Å; T528-W531 HydrophobicContact CG2-CE3 4.42Å; T528-W531 HydrophobicContact CG2-CZ3 4.42Å; T528-A532 WeakPolarHBondContact O-CB 3.4Å; T528-A532 PolarHBondContact O-N 2.97Å |
| 529 | L | 98.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.4 | -51.6 | 174.2 | 175.2 | 63.2 | 0 | 0 | 0 | 112.6 | I453 M508 K511 L512 Q515 N525 L526 N527 W531 A532 I533 | I453-L529 HydrophobicContact CG2-CD1 4.05Å; M508-L529 HydrophobicContact CB-CD1 4.24Å; M508-L529 HydrophobicContact CG-CD1 4.33Å; K511-L529 HydrophobicContact CB-CD1 3.87Å; K511-L529 HydrophobicContact CB-CD2 3.97Å; K511-L529 HydrophobicContact CB-CG 4.48Å; K511-L529 HydrophobicContact CD-CD1 4.46Å; L512-L529 HydrophobicContact CB-CD2 3.89Å; L512-L529 HydrophobicContact CD1-CD2 4.09Å; Q515-L529 HydrophobicContact CG-CD2 4.31Å; N525-L529 VanDerWaalsContact O-CB 3.3Å; N525-L529 WeakPolarHBondContact O-CB 3.45Å; N525-L529 PolarHBondContact O-N 3.46Å; L526-L529 PolarHBondContact O-N 3.01Å; N527-L529 VanDerWaalsContact C-N 3.25Å; N527-L529 PolarHBondContact O-N 3.42Å; L529-W531 VanDerWaalsContact C-N 3.31Å; L529-W531 PolarHBondContact O-N 3.48Å; L529-A532 WeakPolarHBondContact O-CB 3.47Å; L529-A532 PolarHBondContact O-N 2.97Å; L529-I533 HydrophobicContact CD1-CD1 4.03Å; L529-I533 HydrophobicContact CD1-CG1 4.31Å; L529-I533 HydrophobicContact CG-CD1 3.96Å; L529-I533 VanDerWaalsContact O-CG1 3.31Å; L529-I533 WeakPolarHBondContact O-CG1 3.46Å; L529-I533 PolarHBondContact O-N 2.87Å |
| 530 | C | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.7 | -34.7 | -177.5 | -65 | 0 | 0 | 0 | 0 | 111.8 | L526 N527 I533 G534 N575 V579 | L526-C530 WeakPolarHBondContact O-CB 3.38Å; L526-C530 PolarHBondContact O-N 3.03Å; L526-C530 PolarHBondContact O-SG 2.93Å; N527-C530 PolarHBondContact O-N 3.24Å; N527-C530 VanDerWaalsContact O-N 3.12Å; C530-I533 PolarHBondContact O-N 3.45Å; C530-G534 PolarHBondContact O-N 3.27Å; C530-N575 HydrophobicContact CB-CB 3.67Å; C530-N575 VanDerWaalsContact CB-OD1 3.25Å; C530-N575 WeakPolarHBondContact CB-OD1 3.39Å; C530-V579 HydrophobicContact CB-CG2 4.25Å |
| 531 | W | 97.9 | Very high | 95.4 | Very high | 27 Ų | 27 | 25 Ų | 25 | 10% | 0.102 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.1 | -48.5 | 171.5 | -59.9 | -14.1 | 0 | 0 | 0 | 110.4 | M456 K458 P459 V462 N527 T528 L529 I533 G534 S535 Y578 | M456-W531 HydrophobicContact CB-CB 4.31Å; M456-W531 HydrophobicContact CG-CB 3.91Å; M456-W531 VanDerWaalsContact O-CE3 3.26Å; K458-W531 HydrophobicContact CB-CE3 4.28Å; K458-W531 HydrophobicContact CB-CH2 3.59Å; K458-W531 HydrophobicContact CB-CZ2 4.04Å; K458-W531 HydrophobicContact CB-CZ3 3.74Å; K458-W531 HydrophobicContact CD-CH2 4.22Å; K458-W531 HydrophobicContact CD-CZ2 4.21Å; K458-W531 HydrophobicContact CG-CH2 3.7Å; K458-W531 HydrophobicContact CG-CZ2 3.64Å; K458-W531 HydrophobicContact CG-CZ3 4.28Å; P459-W531 HydrophobicContact CG-CB 4.44Å; P459-W531 HydrophobicContact CG-CD2 4.5Å; P459-W531 HydrophobicContact CG-CG 3.99Å; V462-W531 HydrophobicContact CG1-CZ2 4.32Å; N527-W531 HydrophobicContact CB-CD2 4.25Å; N527-W531 HydrophobicContact CB-CH2 3.92Å; N527-W531 HydrophobicContact CB-CZ2 3.58Å; N527-W531 HydrophobicContact CB-CZ3 4.37Å; N527-W531 WeakPolarHBondContact O-CB 3.41Å; N527-W531 VanDerWaalsContact O-CD1 3.27Å; N527-W531 VanDerWaalsContact O-CD2 3.29Å; N527-W531 PolarHBondContact O-N 3.45Å; T528-W531 HydrophobicContact CG2-CE3 4.42Å; T528-W531 HydrophobicContact CG2-CZ3 4.42Å; L529-W531 VanDerWaalsContact C-N 3.31Å; L529-W531 PolarHBondContact O-N 3.48Å; W531-I533 PolarHBondContact O-N 3.23Å; W531-G534 PolarHBondContact O-N 2.69Å; W531-S535 WeakPolarHBondContact O-CB 3.23Å; W531-S535 PolarHBondContact O-N 2.63Å; W531-S535 PolarHBondContact O-OG 3.31Å; W531-Y578 HydrophobicContact CB-CE1 4.5Å; W531-Y578 WeakPolarHBondContact O-CE1 3.46Å |
| 532 | A | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I453 M456 L493 M508 T528 L529 S535 I536 | I453-A532 HydrophobicContact CB-CB 4.3Å; I453-A532 HydrophobicContact CG1-CB 4.15Å; I453-A532 HydrophobicContact CG2-CB 4.02Å; M456-A532 HydrophobicContact CB-CB 4.24Å; M456-A532 HydrophobicContact CG-CB 4.18Å; L493-A532 HydrophobicContact CD2-CB 3.81Å; M508-A532 HydrophobicContact CE-CB 3.98Å; T528-A532 WeakPolarHBondContact O-CB 3.4Å; T528-A532 PolarHBondContact O-N 2.97Å; L529-A532 WeakPolarHBondContact O-CB 3.47Å; L529-A532 PolarHBondContact O-N 2.97Å; A532-S535 PolarHBondContact O-N 3.18Å; A532-I536 PolarHBondContact O-N 2.73Å |
| 533 | I | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 175.9 | -70.3 | 169.5 | 0 | 0 | 0 | 111.2 | M508 L529 C530 W531 S535 I536 F548 V552 V579 Y583 | M508-I533 HydrophobicContact CB-CG1 4.45Å; M508-I533 HydrophobicContact CG-CG1 4.36Å; M508-I533 HydrophobicContact SD-CG1 3.78Å; L529-I533 HydrophobicContact CD1-CD1 4.03Å; L529-I533 HydrophobicContact CD1-CG1 4.31Å; L529-I533 HydrophobicContact CG-CD1 3.96Å; L529-I533 VanDerWaalsContact O-CG1 3.31Å; L529-I533 WeakPolarHBondContact O-CG1 3.46Å; L529-I533 PolarHBondContact O-N 2.87Å; C530-I533 PolarHBondContact O-N 3.45Å; W531-I533 PolarHBondContact O-N 3.23Å; I533-S535 VanDerWaalsContact C-N 3.33Å; I533-S535 PolarHBondContact O-N 2.98Å; I533-I536 VanDerWaalsContact O-CG1 3.29Å; I533-I536 WeakPolarHBondContact O-CG1 3.24Å; I533-F548 HydrophobicContact CG1-CZ 4.08Å; I533-F548 HydrophobicContact CG2-CE1 3.96Å; I533-F548 HydrophobicContact CG2-CZ 4.26Å; I533-V552 HydrophobicContact CD1-CG1 4.08Å; I533-V552 HydrophobicContact CD1-CG2 4.14Å; I533-V552 HydrophobicContact CG2-CG1 4.23Å; I533-V579 HydrophobicContact CB-CG2 4.46Å; I533-V579 HydrophobicContact CG2-CG1 4.13Å; I533-V579 HydrophobicContact CG2-CG2 4.11Å; I533-Y583 PolarHBondContact O-OH 3.5Å |
| 534 | G | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.2 | -33.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | C530 W531 I536 S537 | C530-G534 PolarHBondContact O-N 3.27Å; W531-G534 PolarHBondContact O-N 2.69Å; G534-I536 VanDerWaalsContact C-N 3.32Å; G534-I536 PolarHBondContact O-N 3.35Å; G534-S537 WeakPolarHBondContact O-CB 3.49Å; G534-S537 PolarHBondContact O-N 3.45Å |
| 535 | S | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.9 | -21.9 | -175.8 | -61.1 | 0 | 0 | 0 | 0 | 115.2 | M456 Y486 R490 W531 A532 I533 S537 Y578 | M456-S535 WeakPolarHBondContact CE-OG 3.49Å; Y486-S535 WeakPolarHBondContact CE2-OG 3.44Å; Y486-S535 VanDerWaalsContact CZ-OG 3.32Å; Y486-S535 PolarHBondContact OH-OG 3.33Å; R490-S535 WeakPolarHBondContact CG-O 3.43Å; R490-S535 PolarHBondContact NE-O 3.19Å; W531-S535 WeakPolarHBondContact O-CB 3.23Å; W531-S535 PolarHBondContact O-N 2.63Å; W531-S535 PolarHBondContact O-OG 3.31Å; A532-S535 PolarHBondContact O-N 3.18Å; I533-S535 VanDerWaalsContact C-N 3.33Å; I533-S535 PolarHBondContact O-N 2.98Å; S535-S537 VanDerWaalsContact C-N 3.29Å; S535-Y578 PolarHBondContact OG-OH 3.42Å |
| 536 | I | 96.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 9.8 | 177 | 63.3 | 162.8 | 0 | 0 | 0 | 113.6 | L493 T504 M508 A532 I533 G534 G538 A539 F548 | L493-I536 HydrophobicContact CB-CG2 4.45Å; L493-I536 HydrophobicContact CD2-CG2 3.66Å; L493-I536 HydrophobicContact CG-CG2 3.58Å; T504-I536 HydrophobicContact CG2-CD1 4.34Å; M508-I536 HydrophobicContact CE-CD1 3.84Å; M508-I536 HydrophobicContact CE-CG1 4.28Å; M508-I536 HydrophobicContact CE-CG2 4.21Å; M508-I536 HydrophobicContact SD-CD1 3.73Å; A532-I536 PolarHBondContact O-N 2.73Å; I533-I536 VanDerWaalsContact O-CG1 3.29Å; I533-I536 WeakPolarHBondContact O-CG1 3.24Å; G534-I536 VanDerWaalsContact C-N 3.32Å; G534-I536 PolarHBondContact O-N 3.35Å; I536-G538 PolarHBondContact O-N 3.4Å; I536-A539 HydrophobicContact CB-CB 4.4Å; I536-A539 WeakPolarHBondContact O-CB 3.4Å; I536-A539 PolarHBondContact O-N 2.98Å; I536-F548 HydrophobicContact CD1-CE1 4.22Å |
| 537 | S | 94.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 128.9 | 177.8 | 177 | 0 | 0 | 0 | 0 | 112 | G534 S535 A539 Q582 Y583 G1095 P1099 | G534-S537 WeakPolarHBondContact O-CB 3.49Å; G534-S537 PolarHBondContact O-N 3.45Å; S535-S537 VanDerWaalsContact C-N 3.29Å; S537-A539 VanDerWaalsContact C-N 3.31Å; S537-A539 PolarHBondContact O-N 3.32Å; S537-Q582 WeakPolarHBondContact CB-O 3.18Å; S537-Q582 PolarHBondContact OG-O 3.27Å; S537-Y583 VanDerWaalsContact CA-CE1 3.45Å; S537-Y583 WeakPolarHBondContact OG-CD1 3.46Å; S537-G1095 WeakPolarHBondContact O-CA 3.32Å; S537-P1099 WeakPolarHBondContact OG-CG 3.41Å |
| 538 | G | 89.7 | Confident | 93.9 | Very high | 18 Ų | 18 | 30.8 Ų | 30.8 | 19% | 0.186 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -6.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | I536 E545 P1094 G1095 | I536-G538 PolarHBondContact O-N 3.4Å; G538-E545 PolarHBondContact N-OE2 3.32Å; G538-P1094 CarbonylContact O-C 3.06Å; G538-P1094 VanDerWaalsContact O-CB 3.23Å; G538-P1094 WeakPolarHBondContact O-CB 2.99Å; G538-G1095 PolarHBondContact O-N 2.89Å |
| 539 | A | 91.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 30.2 Ų | 30.2 | 10% | 0.099 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -81.4 | -19.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V494 T497 I536 S537 | V494-A539 HydrophobicContact CG1-CB 4.3Å; T497-A539 HydrophobicContact CG2-CB 4.11Å; I536-A539 HydrophobicContact CB-CB 4.4Å; I536-A539 WeakPolarHBondContact O-CB 3.4Å; I536-A539 PolarHBondContact O-N 2.98Å; S537-A539 VanDerWaalsContact C-N 3.31Å; S537-A539 PolarHBondContact O-N 3.32Å |
| 540 | L | 91.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 6% | 0.058 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -93.7 | 154.6 | 175.5 | -61.4 | 178.5 | 0 | 0 | 0 | 110.9 | T497 Y501 E545 F548 R585 | T497-L540 HydrophobicContact CG2-CD2 3.91Å; Y501-L540 HydrophobicContact CD2-CD2 3.9Å; Y501-L540 HydrophobicContact CG-CD2 4.14Å; L540-E545 HydrophobicContact CB-CB 3.95Å; L540-F548 HydrophobicContact CD1-CB 4.34Å; L540-F548 HydrophobicContact CD1-CD1 3.93Å; L540-F548 HydrophobicContact CD1-CG 4.35Å; L540-R585 PolarHBondContact O-NH2 3.22Å |
| 541 | M | 89 | Confident | 93.3 | Very high | 82 Ų | 82 | 35 Ų | 35 | 40% | 0.404 | 17% | 0.17 | S | C | . | . | trans | -66.1 | 152 | 166 | -64.9 | -171 | 179.5 | 0 | 0 | 110 | L416 F429 E543 D544 E545 | L416-M541 HydrophobicContact CD2-CE 4.07Å; L416-M541 HydrophobicContact CG-CE 4.46Å; F429-M541 HydrophobicContact CE1-CE 4.3Å; F429-M541 HydrophobicContact CE2-CE 4.35Å; F429-M541 HydrophobicContact CE2-SD 4.5Å; F429-M541 HydrophobicContact CZ-CE 3.57Å; F429-M541 HydrophobicContact CZ-SD 4.13Å; M541-E543 VanDerWaalsContact C-N 3.33Å; M541-E543 PolarHBondContact O-N 3.43Å; M541-D544 PolarHBondContact O-N 3.34Å; M541-D544 VanDerWaalsContact O-N 3.16Å; M541-E545 VanDerWaalsContact O-CB 3.31Å; M541-E545 WeakPolarHBondContact O-CB 3.18Å; M541-E545 PolarHBondContact O-N 3.17Å | ||
| 542 | E | 88 | Confident | 93.2 | Very high | 102 Ų | 102 | 33.8 Ų | 33.8 | 48% | 0.477 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.7 | -39.8 | -171.7 | -170.9 | 174 | 176.8 | 0 | 0 | 113.8 | K546 | E542-K546 VanDerWaalsContact O-CB 3.27Å; E542-K546 WeakPolarHBondContact O-CB 3.26Å; E542-K546 PolarHBondContact O-N 3.44Å |
| 543 | E | 90 | Very high | 92.9 | Very high | 131 Ų | 131 | 34.1 Ų | 34.1 | 61% | 0.612 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -69.7 | -39.9 | 177.8 | -70.8 | -62.8 | 154 | 0 | 0 | 113.1 | M541 K546 R547 | M541-E543 VanDerWaalsContact C-N 3.33Å; M541-E543 PolarHBondContact O-N 3.43Å; E543-K546 IonicContact OE2-NZ 2.57Å; E543-R547 PolarHBondContact O-N 2.96Å; E543-R547 VanDerWaalsContact O-N 3.11Å |
| 544 | D | 91.3 | Very high | 92.6 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 15% | 0.15 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.3 | -42.2 | 176.4 | -70.3 | -54.6 | 0 | 0 | 0 | 110.9 | Y501 M541 K546 R547 F548 | Y501-D544 HydrophobicContact CE2-CB 4.34Å; M541-D544 PolarHBondContact O-N 3.34Å; M541-D544 VanDerWaalsContact O-N 3.16Å; D544-K546 VanDerWaalsContact C-N 3.32Å; D544-K546 PolarHBondContact O-N 3.48Å; D544-R547 PolarHBondContact O-N 2.88Å; D544-R547 IonicContact OD1-NH1 3.61Å; D544-R547 IonicContact OD1-NH2 2.74Å; D544-F548 VanDerWaalsContact O-CB 3.31Å; D544-F548 WeakPolarHBondContact O-CB 3.49Å; D544-F548 PolarHBondContact O-N 2.9Å |
| 545 | E | 91.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56 | -47.1 | 173.4 | -176.8 | 170 | 93.3 | 0 | 0 | 110.7 | G538 L540 M541 F548 L549 Y583 R585 | G538-E545 PolarHBondContact N-OE2 3.32Å; L540-E545 HydrophobicContact CB-CB 3.95Å; M541-E545 VanDerWaalsContact O-CB 3.31Å; M541-E545 WeakPolarHBondContact O-CB 3.18Å; M541-E545 PolarHBondContact O-N 3.17Å; E545-F548 PolarHBondContact O-N 3.2Å; E545-L549 HydrophobicContact CG-CD1 3.68Å; E545-L549 HydrophobicContact CG-CG 4.21Å; E545-L549 WeakPolarHBondContact O-CB 3.43Å; E545-L549 VanDerWaalsContact O-CG 3.24Å; E545-L549 WeakPolarHBondContact O-CG 3.21Å; E545-L549 PolarHBondContact O-N 3.5Å; E545-Y583 HydrophobicContact CG-CD1 3.91Å; E545-Y583 HydrophobicContact CG-CE1 3.81Å; E545-Y583 WeakPolarHBondContact OE2-CE1 3.28Å; E545-R585 IonicContact OE1-CZ 3.99Å; E545-R585 IonicContact OE1-NE 3.84Å; E545-R585 PolarHBondContact OE1-NE 2.69Å; E545-R585 IonicContact OE1-NH2 3.37Å; E545-R585 PolarHBondContact OE1-NH2 2.78Å; E545-R585 IonicContact OE2-CZ 2.84Å; E545-R585 IonicContact OE2-NE 3.74Å; E545-R585 IonicContact OE2-NH2 3.46Å; E545-R585 PolarHBondContact OE2-NH2 3.2Å |
| 546 | K | 92 | Very high | 92.4 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 33% | 0.326 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.9 | -49.4 | 176.3 | 170.7 | -172.8 | 174.4 | -169.6 | 0 | 112.4 | E542 E543 D544 F548 V550 F586 H590 | E542-K546 VanDerWaalsContact O-CB 3.27Å; E542-K546 WeakPolarHBondContact O-CB 3.26Å; E542-K546 PolarHBondContact O-N 3.44Å; E543-K546 IonicContact OE2-NZ 2.57Å; D544-K546 VanDerWaalsContact C-N 3.32Å; D544-K546 PolarHBondContact O-N 3.48Å; K546-F548 VanDerWaalsContact C-N 3.31Å; K546-F548 PolarHBondContact O-N 3Å; K546-V550 WeakPolarHBondContact O-CB 3.44Å; K546-V550 VanDerWaalsContact O-CG2 3.24Å; K546-V550 WeakPolarHBondContact O-CG2 3.35Å; K546-V550 PolarHBondContact O-N 2.91Å; K546-V550 VanDerWaalsContact O-N 3.09Å; K546-F586 HydrophobicContact CB-CD2 4.26Å; K546-F586 HydrophobicContact CB-CE2 4.25Å; K546-F586 HydrophobicContact CG-CE2 4.1Å; K546-H590 WeakPolarHBondContact CD-NE2 3.41Å |
| 547 | R | 93 | Very high | 92.1 | Very high | 136 Ų | 136 | 45.3 Ų | 45.3 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 178.6 | -176.9 | -175.8 | 73.6 | -149.6 | -2.4 | 110.8 | E505 E543 D544 M551 | E505-R547 VanDerWaalsContact CD-NH2 3.25Å; E505-R547 IonicContact OE1-CZ 2.75Å; E505-R547 IonicContact OE1-NE 3.07Å; E505-R547 PolarHBondContact OE1-NE 3.22Å; E505-R547 IonicContact OE1-NH2 3.87Å; E505-R547 PolarHBondContact OE1-NH2 3.06Å; E505-R547 IonicContact OE2-CZ 3.9Å; E505-R547 IonicContact OE2-NH2 2.72Å; E505-R547 PolarHBondContact OE2-NH2 3.36Å; E543-R547 PolarHBondContact O-N 2.96Å; E543-R547 VanDerWaalsContact O-N 3.11Å; D544-R547 PolarHBondContact O-N 2.88Å; D544-R547 IonicContact OD1-NH1 3.61Å; D544-R547 IonicContact OD1-NH2 2.74Å; R547-M551 PolarHBondContact O-N 2.96Å |
| 548 | F | 94.1 | Very high | 92 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -50 | -178.5 | 178.2 | -120.9 | 0 | 0 | 0 | 111.9 | E505 M508 I533 I536 L540 D544 E545 K546 V550 M551 V552 | E505-F548 HydrophobicContact CG-CD2 3.81Å; E505-F548 HydrophobicContact CG-CE2 4.24Å; M508-F548 HydrophobicContact CB-CE2 4.23Å; M508-F548 HydrophobicContact CB-CZ 4.09Å; M508-F548 HydrophobicContact SD-CE1 4.4Å; M508-F548 HydrophobicContact SD-CZ 3.77Å; I533-F548 HydrophobicContact CG1-CZ 4.08Å; I533-F548 HydrophobicContact CG2-CE1 3.96Å; I533-F548 HydrophobicContact CG2-CZ 4.26Å; I536-F548 HydrophobicContact CD1-CE1 4.22Å; L540-F548 HydrophobicContact CD1-CB 4.34Å; L540-F548 HydrophobicContact CD1-CD1 3.93Å; L540-F548 HydrophobicContact CD1-CG 4.35Å; D544-F548 VanDerWaalsContact O-CB 3.31Å; D544-F548 WeakPolarHBondContact O-CB 3.49Å; D544-F548 PolarHBondContact O-N 2.9Å; E545-F548 PolarHBondContact O-N 3.2Å; K546-F548 VanDerWaalsContact C-N 3.31Å; K546-F548 PolarHBondContact O-N 3Å; F548-V550 PolarHBondContact O-N 2.87Å; F548-M551 HydrophobicContact CD2-CE 4.38Å; F548-M551 WeakPolarHBondContact O-CB 3.4Å; F548-M551 PolarHBondContact O-N 3.43Å; F548-V552 HydrophobicContact CD2-CG2 4.1Å; F548-V552 HydrophobicContact CE1-CG2 4.19Å; F548-V552 HydrophobicContact CE2-CG2 3.75Å; F548-V552 HydrophobicContact CG-CG2 4.47Å; F548-V552 HydrophobicContact CZ-CG2 3.81Å; F548-V552 WeakPolarHBondContact O-CG2 3.46Å; F548-V552 PolarHBondContact O-N 3.02Å |
| 549 | L | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.8 | -38 | -177.6 | -70.1 | 176.2 | 0 | 0 | 0 | 113.6 | E545 M551 V552 I553 V579 Y583 F586 | E545-L549 HydrophobicContact CG-CD1 3.68Å; E545-L549 HydrophobicContact CG-CG 4.21Å; E545-L549 WeakPolarHBondContact O-CB 3.43Å; E545-L549 VanDerWaalsContact O-CG 3.24Å; E545-L549 WeakPolarHBondContact O-CG 3.21Å; E545-L549 PolarHBondContact O-N 3.5Å; L549-M551 PolarHBondContact O-N 2.84Å; L549-V552 PolarHBondContact O-N 2.96Å; L549-I553 HydrophobicContact CB-CD1 4.38Å; L549-I553 WeakPolarHBondContact O-CB 3.3Å; L549-I553 VanDerWaalsContact O-CG1 3.32Å; L549-I553 WeakPolarHBondContact O-CG1 3.34Å; L549-I553 PolarHBondContact O-N 3.34Å; L549-V579 HydrophobicContact CD2-CG1 4.26Å; L549-Y583 HydrophobicContact CD1-CD1 3.48Å; L549-Y583 VanDerWaalsContact CD1-CD1 3.48Å; L549-Y583 HydrophobicContact CD1-CD2 4.1Å; L549-Y583 HydrophobicContact CD1-CE1 3.97Å; L549-Y583 HydrophobicContact CD1-CG 3.53Å; L549-Y583 HydrophobicContact CD2-CD1 4.18Å; L549-Y583 HydrophobicContact CD2-CD2 3.61Å; L549-Y583 HydrophobicContact CD2-CE1 4.07Å; L549-Y583 HydrophobicContact CD2-CE2 3.59Å; L549-Y583 HydrophobicContact CD2-CG 3.94Å; L549-Y583 HydrophobicContact CG-CD1 4.31Å; L549-Y583 HydrophobicContact CG-CD2 4.49Å; L549-Y583 HydrophobicContact CG-CE1 4.35Å; L549-Y583 HydrophobicContact CG-CG 4.35Å; L549-F586 HydrophobicContact CB-CD2 4.32Å; L549-F586 HydrophobicContact CB-CE2 4.22Å; L549-F586 HydrophobicContact CB-CZ 4.39Å; L549-F586 HydrophobicContact CD1-CB 3.65Å; L549-F586 HydrophobicContact CD1-CD1 4.09Å; L549-F586 HydrophobicContact CD1-CD2 3.84Å; L549-F586 HydrophobicContact CD1-CG 3.59Å |
| 550 | V | 92.8 | Very high | 92.1 | Very high | 68 Ų | 68 | 46 Ų | 46 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.8 | -39.4 | 176 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | K546 F548 R554 F586 | K546-V550 WeakPolarHBondContact O-CB 3.44Å; K546-V550 VanDerWaalsContact O-CG2 3.24Å; K546-V550 WeakPolarHBondContact O-CG2 3.35Å; K546-V550 PolarHBondContact O-N 2.91Å; K546-V550 VanDerWaalsContact O-N 3.09Å; F548-V550 PolarHBondContact O-N 2.87Å; V550-R554 WeakPolarHBondContact O-CB 3.18Å; V550-R554 PolarHBondContact O-N 3.34Å; V550-F586 HydrophobicContact CG2-CE2 4.07Å; V550-F586 HydrophobicContact CG2-CZ 3.98Å |
| 551 | M | 94.4 | Very high | 92 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 17% | 0.167 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.5 | -52.2 | 174.9 | -179.2 | -128.2 | -55.9 | 0 | 0 | 111.3 | T509 R547 F548 L549 I553 R554 D555 | T509-M551 HydrophobicContact CG2-CE 3.85Å; T509-M551 HydrophobicContact CG2-SD 3.77Å; T509-M551 WeakPolarHBondContact OG1-CE 3.41Å; R547-M551 PolarHBondContact O-N 2.96Å; F548-M551 HydrophobicContact CD2-CE 4.38Å; F548-M551 WeakPolarHBondContact O-CB 3.4Å; F548-M551 PolarHBondContact O-N 3.43Å; L549-M551 PolarHBondContact O-N 2.84Å; M551-I553 PolarHBondContact O-N 3.36Å; M551-R554 PolarHBondContact O-N 3.17Å; M551-D555 WeakPolarHBondContact O-CB 3.17Å; M551-D555 VanDerWaalsContact O-CG 3.31Å; M551-D555 PolarHBondContact O-N 3.41Å |
| 552 | V | 95.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.2 | -51.1 | -177.7 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | L512 I533 F548 L549 D555 L556 V579 | L512-V552 HydrophobicContact CD2-CB 4.34Å; L512-V552 HydrophobicContact CD2-CG1 4.43Å; L512-V552 HydrophobicContact CD2-CG2 4.15Å; I533-V552 HydrophobicContact CD1-CG1 4.08Å; I533-V552 HydrophobicContact CD1-CG2 4.14Å; I533-V552 HydrophobicContact CG2-CG1 4.23Å; F548-V552 HydrophobicContact CD2-CG2 4.1Å; F548-V552 HydrophobicContact CE1-CG2 4.19Å; F548-V552 HydrophobicContact CE2-CG2 3.75Å; F548-V552 HydrophobicContact CG-CG2 4.47Å; F548-V552 HydrophobicContact CZ-CG2 3.81Å; F548-V552 WeakPolarHBondContact O-CG2 3.46Å; F548-V552 PolarHBondContact O-N 3.02Å; L549-V552 PolarHBondContact O-N 2.96Å; V552-D555 PolarHBondContact O-N 3.06Å; V552-L556 HydrophobicContact CG1-CD1 3.8Å; V552-L556 HydrophobicContact CG1-CG 4.31Å; V552-L556 WeakPolarHBondContact O-CB 3.46Å; V552-L556 WeakPolarHBondContact O-CG 3.41Å; V552-L556 PolarHBondContact O-N 3.49Å; V552-V579 HydrophobicContact CG1-CG1 4.45Å |
| 553 | I | 91.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.8 | -37.2 | -172.7 | -59.1 | 165 | 0 | 0 | 0 | 110.9 | L549 M551 D555 L556 L557 V580 F586 F593 | L549-I553 HydrophobicContact CB-CD1 4.38Å; L549-I553 WeakPolarHBondContact O-CB 3.3Å; L549-I553 VanDerWaalsContact O-CG1 3.32Å; L549-I553 WeakPolarHBondContact O-CG1 3.34Å; L549-I553 PolarHBondContact O-N 3.34Å; M551-I553 PolarHBondContact O-N 3.36Å; I553-D555 VanDerWaalsContact C-N 3.31Å; I553-D555 PolarHBondContact O-N 3.26Å; I553-L556 PolarHBondContact O-N 3.43Å; I553-L557 HydrophobicContact CG2-CD1 3.87Å; I553-L557 HydrophobicContact CG2-CG 4.15Å; I553-L557 WeakPolarHBondContact O-CB 3.19Å; I553-L557 VanDerWaalsContact O-CG 3.26Å; I553-L557 WeakPolarHBondContact O-CG 3.3Å; I553-L557 PolarHBondContact O-N 3.48Å; I553-V580 HydrophobicContact CD1-CG1 3.89Å; I553-V580 HydrophobicContact CG1-CG1 4.38Å; I553-F586 HydrophobicContact CD1-CE1 4.46Å; I553-F593 HydrophobicContact CB-CZ 3.81Å; I553-F593 HydrophobicContact CD1-CE1 3.51Å; I553-F593 HydrophobicContact CD1-CZ 3.37Å; I553-F593 HydrophobicContact CG1-CZ 4.17Å; I553-F593 HydrophobicContact CG2-CE1 4.21Å; I553-F593 HydrophobicContact CG2-CZ 3.54Å |
| 554 | R | 91.8 | Very high | 92.4 | Very high | 155 Ų | 155 | 56.1 Ų | 56.1 | 59% | 0.585 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.7 | -45.1 | 173.9 | -177.4 | -167.9 | 66.3 | -159.6 | -5.1 | 111.1 | V550 M551 L557 G558 | V550-R554 WeakPolarHBondContact O-CB 3.18Å; V550-R554 PolarHBondContact O-N 3.34Å; M551-R554 PolarHBondContact O-N 3.17Å; R554-L557 PolarHBondContact O-N 3.25Å; R554-G558 PolarHBondContact O-N 3.14Å |
| 555 | D | 94.8 | Very high | 92.3 | Very high | 20 Ų | 20 | 56.8 Ų | 56.8 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.9 | -36.9 | -177.2 | -69.5 | 10.5 | 0 | 0 | 0 | 111.2 | L512 Q513 V516 M551 V552 I553 G558 L559 | L512-D555 HydrophobicContact CD2-CB 4.01Å; L512-D555 HydrophobicContact CG-CB 4.39Å; Q513-D555 PolarHBondContact NE2-OD2 3.24Å; V516-D555 HydrophobicContact CG2-CB 4.28Å; M551-D555 WeakPolarHBondContact O-CB 3.17Å; M551-D555 VanDerWaalsContact O-CG 3.31Å; M551-D555 PolarHBondContact O-N 3.41Å; V552-D555 PolarHBondContact O-N 3.06Å; I553-D555 VanDerWaalsContact C-N 3.31Å; I553-D555 PolarHBondContact O-N 3.26Å; D555-G558 PolarHBondContact O-N 2.99Å; D555-L559 VanDerWaalsContact O-CB 3.31Å; D555-L559 WeakPolarHBondContact O-CB 3.38Å; D555-L559 PolarHBondContact O-N 3.13Å |
| 556 | L | 94.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 172.6 | -70.9 | 176.6 | 0 | 0 | 0 | 113 | L512 L526 V552 I553 L559 C560 I576 | L512-L556 HydrophobicContact CD1-CD2 4.05Å; L526-L556 HydrophobicContact CD1-CD2 3.93Å; V552-L556 HydrophobicContact CG1-CD1 3.8Å; V552-L556 HydrophobicContact CG1-CG 4.31Å; V552-L556 WeakPolarHBondContact O-CB 3.46Å; V552-L556 WeakPolarHBondContact O-CG 3.41Å; V552-L556 PolarHBondContact O-N 3.49Å; I553-L556 PolarHBondContact O-N 3.43Å; L556-L559 WeakPolarHBondContact O-CB 3.41Å; L556-L559 PolarHBondContact O-N 3.43Å; L556-C560 WeakPolarHBondContact O-CB 3.43Å; L556-C560 PolarHBondContact O-N 3Å; L556-I576 HydrophobicContact CB-CD1 4.06Å; L556-I576 HydrophobicContact CB-CG1 3.68Å; L556-I576 HydrophobicContact CD1-CG1 4.08Å; L556-I576 HydrophobicContact CG-CG1 4.46Å |
| 557 | L | 89.5 | Confident | 92.1 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 32% | 0.319 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 173.9 | -74.4 | 170.9 | 0 | 0 | 0 | 110.9 | I553 R554 L559 C560 E561 I576 | I553-L557 HydrophobicContact CG2-CD1 3.87Å; I553-L557 HydrophobicContact CG2-CG 4.15Å; I553-L557 WeakPolarHBondContact O-CB 3.19Å; I553-L557 VanDerWaalsContact O-CG 3.26Å; I553-L557 WeakPolarHBondContact O-CG 3.3Å; I553-L557 PolarHBondContact O-N 3.48Å; R554-L557 PolarHBondContact O-N 3.25Å; L557-L559 VanDerWaalsContact C-N 3.3Å; L557-L559 PolarHBondContact O-N 3.05Å; L557-C560 WeakPolarHBondContact O-CB 3.14Å; L557-C560 PolarHBondContact O-N 3.04Å; L557-E561 PolarHBondContact O-N 3.24Å; L557-E561 VanDerWaalsContact O-N 3.09Å; L557-I576 HydrophobicContact CD2-CD1 4.08Å; L557-I576 HydrophobicContact CG-CD1 4.5Å |
| 558 | G | 91.7 | Very high | 92 | Very high | 33 Ų | 33 | 58.2 Ų | 58.2 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | R554 D555 E561 Q562 | R554-G558 PolarHBondContact O-N 3.14Å; D555-G558 PolarHBondContact O-N 2.99Å; G558-E561 PolarHBondContact O-N 3.34Å; G558-Q562 WeakPolarHBondContact O-CB 3.31Å; G558-Q562 PolarHBondContact O-N 2.9Å |
| 559 | L | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.9 | -39 | 175.6 | -170.2 | 57.5 | 0 | 0 | 0 | 112.1 | Q515 W521 L526 D555 L556 L557 E561 Q562 K563 I572 | Q515-L559 HydrophobicContact CB-CD2 4.49Å; W521-L559 HydrophobicContact CE3-CD1 4.37Å; W521-L559 HydrophobicContact CE3-CD2 4.4Å; W521-L559 HydrophobicContact CZ3-CD1 4.09Å; W521-L559 HydrophobicContact CZ3-CD2 3.73Å; W521-L559 HydrophobicContact CZ3-CG 4.06Å; L526-L559 HydrophobicContact CD1-CD2 3.95Å; L526-L559 HydrophobicContact CD2-CD2 4.33Å; D555-L559 VanDerWaalsContact O-CB 3.31Å; D555-L559 WeakPolarHBondContact O-CB 3.38Å; D555-L559 PolarHBondContact O-N 3.13Å; L556-L559 WeakPolarHBondContact O-CB 3.41Å; L556-L559 PolarHBondContact O-N 3.43Å; L557-L559 VanDerWaalsContact C-N 3.3Å; L557-L559 PolarHBondContact O-N 3.05Å; L559-E561 VanDerWaalsContact C-N 3.3Å; L559-E561 PolarHBondContact O-N 3.14Å; L559-Q562 PolarHBondContact O-N 3.41Å; L559-K563 HydrophobicContact CD1-CD 4.47Å; L559-K563 HydrophobicContact CD1-CG 3.85Å; L559-K563 HydrophobicContact CG-CG 4.3Å; L559-K563 WeakPolarHBondContact O-CB 3.33Å; L559-K563 WeakPolarHBondContact O-CG 3.47Å; L559-K563 PolarHBondContact O-N 3.37Å; L559-I572 HydrophobicContact CG-CD1 4.09Å |
| 560 | C | 90.6 | Very high | 91.9 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -35.1 | 175.9 | -167.7 | 0 | 0 | 0 | 0 | 112.5 | L556 L557 I572 I576 | L556-C560 WeakPolarHBondContact O-CB 3.43Å; L556-C560 PolarHBondContact O-N 3Å; L557-C560 WeakPolarHBondContact O-CB 3.14Å; L557-C560 PolarHBondContact O-N 3.04Å; C560-I572 HydrophobicContact CB-CB 4.4Å; C560-I572 HydrophobicContact CB-CG2 3.61Å; C560-I576 HydrophobicContact CB-CD1 4.36Å |
| 561 | E | 89.9 | Confident | 91.9 | Very high | 170 Ų | 170 | 60.4 Ų | 60.4 | 79% | 0.794 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -76.1 | -36.8 | 174.7 | -69 | -179.2 | 178.2 | 0 | 0 | 112.1 | L557 G558 L559 | L557-E561 PolarHBondContact O-N 3.24Å; L557-E561 VanDerWaalsContact O-N 3.09Å; G558-E561 PolarHBondContact O-N 3.34Å; L559-E561 VanDerWaalsContact C-N 3.3Å; L559-E561 PolarHBondContact O-N 3.14Å |
| 562 | Q | 92.1 | Very high | 91.9 | Very high | 111 Ų | 111 | 58.8 Ų | 58.8 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71 | -41.4 | -178.8 | -175.9 | -176.3 | -11.1 | 0 | 0 | 112.9 | G558 L559 | G558-Q562 WeakPolarHBondContact O-CB 3.31Å; G558-Q562 PolarHBondContact O-N 2.9Å; L559-Q562 PolarHBondContact O-N 3.41Å |
| 563 | K | 92.4 | Very high | 91.8 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | trans | -84.8 | 133.3 | -175.4 | -63.2 | -72.5 | -178.7 | 171.2 | 0 | 111.2 | W521 L559 N568 I572 | W521-K563 VanDerWaalsContact CD1-NZ 3.35Å; W521-K563 HydrophobicContact CD2-CD 4.3Å; W521-K563 VanDerWaalsContact CD2-CE 3.43Å; W521-K563 HydrophobicContact CH2-CD 4.18Å; W521-K563 HydrophobicContact CH2-CG 3.95Å; W521-K563 HydrophobicContact CZ2-CD 3.83Å; W521-K563 HydrophobicContact CZ2-CG 4.04Å; W521-K563 HydrophobicContact CZ3-CG 4.37Å; L559-K563 HydrophobicContact CD1-CD 4.47Å; L559-K563 HydrophobicContact CD1-CG 3.85Å; L559-K563 HydrophobicContact CG-CG 4.3Å; L559-K563 WeakPolarHBondContact O-CB 3.33Å; L559-K563 WeakPolarHBondContact O-CG 3.47Å; L559-K563 PolarHBondContact O-N 3.37Å; K563-N568 HydrophobicContact CB-CB 4.13Å; K563-I572 HydrophobicContact CB-CD1 3.73Å; K563-I572 HydrophobicContact CG-CD1 3.88Å | ||
| 564 | R | 90.5 | Very high | 92 | Very high | 219 Ų | 219 | 58.6 Ų | 58.6 | 83% | 0.826 | 28% | 0.284 | S | S | * | . | trans | -102.5 | 158 | 179.4 | -61.8 | -176.1 | -180 | -170.9 | -0.3 | 111 | N568 | R564-N568 PolarHBondContact O-ND2 2.88Š| ||
| 565 | G | 88.4 | Confident | 92.2 | Very high | 43 Ų | 43 | 51.2 Ų | 51.2 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 101.1 | 144.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D567 K569 | G565-D567 VanDerWaalsContact C-N 3.35Å; G565-K569 WeakPolarHBondContact O-CG 3.41Å; G565-K569 PolarHBondContact O-N 3.45Å; G565-K569 VanDerWaalsContact O-N 3.12Å |
| 566 | K | 88.6 | Confident | 92.1 | Very high | 133 Ų | 133 | 50.8 Ų | 50.8 | 58% | 0.578 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | -178.2 | -71.1 | -168 | 173.7 | -163.3 | 0 | 111 | N568 K569 A570 T608 | K566-N568 PolarHBondContact O-N 2.9Å; K566-K569 PolarHBondContact O-N 3.29Å; K566-K569 VanDerWaalsContact O-N 3.16Å; K566-A570 WeakPolarHBondContact O-CB 3.32Å; K566-A570 PolarHBondContact O-N 3.33Å; K566-T608 PolarHBondContact NZ-OG1 3.04Å |
| 567 | D | 90.8 | Very high | 92.2 | Very high | 72 Ų | 72 | 50.8 Ų | 50.8 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -49 | -179.1 | -51 | -29.8 | 0 | 0 | 0 | 111.9 | V472 W523 G565 K569 A570 V571 | V472-D567 HydrophobicContact CB-CB 4.17Å; V472-D567 HydrophobicContact CG2-CB 3.67Å; W523-D567 HydrophobicContact CH2-CB 4.04Å; W523-D567 HydrophobicContact CZ2-CB 3.82Å; G565-D567 VanDerWaalsContact C-N 3.35Å; D567-K569 VanDerWaalsContact C-N 3.3Å; D567-K569 PolarHBondContact O-N 2.89Å; D567-A570 PolarHBondContact O-N 3.09Å; D567-V571 WeakPolarHBondContact O-CG2 3.21Å; D567-V571 PolarHBondContact O-N 3.36Å |
| 568 | N | 92.5 | Very high | 92.5 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.5 | -42.8 | 175.7 | -73.7 | -38.9 | 0 | 0 | 0 | 111.9 | W523 K563 R564 K566 I572 | W523-N568 PolarHBondContact NE1-OD1 3.09Å; K563-N568 HydrophobicContact CB-CB 4.13Å; R564-N568 PolarHBondContact O-ND2 2.88Å; K566-N568 PolarHBondContact O-N 2.9Å; N568-I572 WeakPolarHBondContact O-CD1 3.37Å; N568-I572 WeakPolarHBondContact O-CG1 3.35Å; N568-I572 PolarHBondContact O-N 2.98Å |
| 569 | K | 91.4 | Very high | 92.7 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 45% | 0.448 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.9 | -40.7 | 178.2 | -75.3 | -171.6 | 172.4 | -165.9 | 0 | 112.1 | G565 K566 D567 I572 A573 | G565-K569 WeakPolarHBondContact O-CG 3.41Å; G565-K569 PolarHBondContact O-N 3.45Å; G565-K569 VanDerWaalsContact O-N 3.12Å; K566-K569 PolarHBondContact O-N 3.29Å; K566-K569 VanDerWaalsContact O-N 3.16Å; D567-K569 VanDerWaalsContact C-N 3.3Å; D567-K569 PolarHBondContact O-N 2.89Å; K569-I572 PolarHBondContact O-N 3.24Å; K569-A573 WeakPolarHBondContact O-CB 3.25Å; K569-A573 PolarHBondContact O-N 3.4Å |
| 570 | A | 92.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 5% | 0.05 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V464 V472 K566 D567 A573 S574 V612 | V464-A570 HydrophobicContact CG1-CB 4.49Å; V472-A570 HydrophobicContact CG1-CB 4.12Å; K566-A570 WeakPolarHBondContact O-CB 3.32Å; K566-A570 PolarHBondContact O-N 3.33Å; D567-A570 PolarHBondContact O-N 3.09Å; A570-A573 PolarHBondContact O-N 3.35Å; A570-S574 WeakPolarHBondContact O-CB 3.43Å; A570-S574 PolarHBondContact O-N 2.97Å; A570-S574 PolarHBondContact O-OG 2.92Å; A570-V612 HydrophobicContact CB-CG2 3.77Å |
| 571 | V | 94.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 112 | V472 W523 L526 N527 D567 S574 N575 | V472-V571 HydrophobicContact CG1-CG2 4.24Å; V472-V571 HydrophobicContact CG2-CG2 3.91Å; W523-V571 HydrophobicContact CB-CG1 4.12Å; W523-V571 HydrophobicContact CD2-CG2 4.25Å; W523-V571 HydrophobicContact CG-CG1 4.18Å; W523-V571 HydrophobicContact CG-CG2 4.13Å; L526-V571 HydrophobicContact CD2-CG1 4.44Å; N527-V571 WeakPolarHBondContact OD1-CG1 3.37Å; D567-V571 WeakPolarHBondContact O-CG2 3.21Å; D567-V571 PolarHBondContact O-N 3.36Å; V571-S574 PolarHBondContact O-OG 3.44Å; V571-N575 PolarHBondContact O-N 2.86Å; V571-N575 PolarHBondContact O-ND2 3.13Å |
| 572 | I | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.7 | -40.8 | 178.3 | -62.2 | 160.6 | 0 | 0 | 0 | 110.6 | W521 L526 L559 C560 K563 N568 K569 N575 I576 | W521-I572 HydrophobicContact CH2-CD1 3.94Å; W521-I572 HydrophobicContact CH2-CG1 4.06Å; L526-I572 HydrophobicContact CD2-CG1 3.81Å; L559-I572 HydrophobicContact CG-CD1 4.09Å; C560-I572 HydrophobicContact CB-CB 4.4Å; C560-I572 HydrophobicContact CB-CG2 3.61Å; K563-I572 HydrophobicContact CB-CD1 3.73Å; K563-I572 HydrophobicContact CG-CD1 3.88Å; N568-I572 WeakPolarHBondContact O-CD1 3.37Å; N568-I572 WeakPolarHBondContact O-CG1 3.35Å; N568-I572 PolarHBondContact O-N 2.98Å; K569-I572 PolarHBondContact O-N 3.24Å; I572-N575 PolarHBondContact O-N 3.25Å; I572-I576 HydrophobicContact CG2-CD1 3.91Å; I572-I576 HydrophobicContact CG2-CG1 4.42Å; I572-I576 WeakPolarHBondContact O-CG1 3.26Å; I572-I576 PolarHBondContact O-N 3.27Å |
| 573 | A | 92.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K569 A570 N575 I576 M577 F604 | K569-A573 WeakPolarHBondContact O-CB 3.25Å; K569-A573 PolarHBondContact O-N 3.4Å; A570-A573 PolarHBondContact O-N 3.35Å; A573-N575 VanDerWaalsContact C-N 3.3Å; A573-N575 PolarHBondContact O-N 2.82Å; A573-I576 PolarHBondContact O-N 2.94Å; A573-M577 HydrophobicContact CB-CE 4.32Å; A573-M577 WeakPolarHBondContact O-CB 3.21Å; A573-M577 WeakPolarHBondContact O-CG 3.35Å; A573-M577 PolarHBondContact O-N 2.95Å; A573-F604 HydrophobicContact CB-CD1 4.47Å; A573-F604 HydrophobicContact CB-CE1 3.93Å; A573-F604 HydrophobicContact CB-CE2 4.15Å; A573-F604 HydrophobicContact CB-CZ 3.75Å |
| 574 | S | 95.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 176.6 | 69.9 | 0 | 0 | 0 | 0 | 111.6 | A570 V571 M577 Y578 M615 | A570-S574 WeakPolarHBondContact O-CB 3.43Å; A570-S574 PolarHBondContact O-N 2.97Å; A570-S574 PolarHBondContact O-OG 2.92Å; V571-S574 PolarHBondContact O-OG 3.44Å; S574-M577 PolarHBondContact O-N 3.48Å; S574-Y578 WeakPolarHBondContact O-CB 3.29Å; S574-Y578 PolarHBondContact O-N 2.93Å; S574-M615 VanDerWaalsContact CB-SD 3.55Å; S574-M615 WeakPolarHBondContact O-CE 3.35Å |
| 575 | N | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.1 | -42.5 | 176 | -76.5 | -47 | 0 | 0 | 0 | 113 | N527 C530 V571 I572 A573 V579 | N527-N575 PolarHBondContact OD1-ND2 2.98Å; N527-N575 PolarHBondContact OD1-OD1 3.41Å; C530-N575 HydrophobicContact CB-CB 3.67Å; C530-N575 VanDerWaalsContact CB-OD1 3.25Å; C530-N575 WeakPolarHBondContact CB-OD1 3.39Å; V571-N575 PolarHBondContact O-N 2.86Å; V571-N575 PolarHBondContact O-ND2 3.13Å; I572-N575 PolarHBondContact O-N 3.25Å; A573-N575 VanDerWaalsContact C-N 3.3Å; A573-N575 PolarHBondContact O-N 2.82Å; N575-V579 WeakPolarHBondContact O-CG2 3.41Å; N575-V579 PolarHBondContact O-N 3.24Å |
| 576 | I | 94.2 | Very high | 93.3 | Very high | 11 Ų | 11 | 22.8 Ų | 22.8 | 6% | 0.056 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.9 | -49 | 175.3 | -68.7 | 167.6 | 0 | 0 | 0 | 110.4 | L556 L557 C560 I572 A573 Y578 V579 V580 | L556-I576 HydrophobicContact CB-CD1 4.06Å; L556-I576 HydrophobicContact CB-CG1 3.68Å; L556-I576 HydrophobicContact CD1-CG1 4.08Å; L556-I576 HydrophobicContact CG-CG1 4.46Å; L557-I576 HydrophobicContact CD2-CD1 4.08Å; L557-I576 HydrophobicContact CG-CD1 4.5Å; C560-I576 HydrophobicContact CB-CD1 4.36Å; I572-I576 HydrophobicContact CG2-CD1 3.91Å; I572-I576 HydrophobicContact CG2-CG1 4.42Å; I572-I576 WeakPolarHBondContact O-CG1 3.26Å; I572-I576 PolarHBondContact O-N 3.27Å; A573-I576 PolarHBondContact O-N 2.94Å; I576-Y578 VanDerWaalsContact C-N 3.34Å; I576-Y578 PolarHBondContact O-N 3.37Å; I576-V579 PolarHBondContact O-N 3.32Å; I576-V580 HydrophobicContact CG2-CG1 4.43Å; I576-V580 WeakPolarHBondContact O-CG2 3.39Å; I576-V580 PolarHBondContact O-N 2.92Å |
| 577 | M | 94.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | -179.6 | -73.5 | -171.6 | -72.1 | 0 | 0 | 112 | A573 S574 V580 G581 L601 F604 V612 M615 A616 T619 | A573-M577 HydrophobicContact CB-CE 4.32Å; A573-M577 WeakPolarHBondContact O-CB 3.21Å; A573-M577 WeakPolarHBondContact O-CG 3.35Å; A573-M577 PolarHBondContact O-N 2.95Å; S574-M577 PolarHBondContact O-N 3.48Å; M577-V580 WeakPolarHBondContact O-CG2 3.49Å; M577-G581 PolarHBondContact O-N 3.41Å; M577-L601 HydrophobicContact CG-CD2 3.75Å; M577-L601 HydrophobicContact SD-CD2 3.87Å; M577-F604 HydrophobicContact CE-CD2 4.39Å; M577-F604 HydrophobicContact CG-CD2 3.97Å; M577-F604 HydrophobicContact CG-CE2 4.05Å; M577-F604 HydrophobicContact SD-CD2 3.7Å; M577-F604 HydrophobicContact SD-CE2 4.34Å; M577-F604 HydrophobicContact SD-CG 4.46Å; M577-V612 HydrophobicContact CE-CG1 4.02Å; M577-M615 HydrophobicContact CB-CE 4.46Å; M577-M615 HydrophobicContact CE-CB 3.57Å; M577-M615 HydrophobicContact CE-CE 4.49Å; M577-M615 HydrophobicContact SD-CB 4.07Å; M577-A616 VanDerWaalsContact SD-CA 3.6Å; M577-A616 HydrophobicContact SD-CB 3.91Å; M577-T619 HydrophobicContact CB-CG2 4.49Å |
| 578 | Y | 95.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.016 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.5 | -52.5 | 174.2 | 174 | -105.8 | 0 | 0 | 0 | 111.5 | P459 E461 V462 Y486 W531 S535 S574 I576 V580 G581 Q582 | P459-Y578 HydrophobicContact CB-CD2 4.28Å; P459-Y578 HydrophobicContact CB-CE2 3.49Å; P459-Y578 VanDerWaalsContact CB-CE2 3.49Å; P459-Y578 HydrophobicContact CG-CD1 4.49Å; P459-Y578 HydrophobicContact CG-CD2 3.86Å; P459-Y578 HydrophobicContact CG-CE1 4.15Å; P459-Y578 HydrophobicContact CG-CE2 3.45Å; P459-Y578 VanDerWaalsContact CG-CE2 3.45Å; P459-Y578 HydrophobicContact CG-CG 4.35Å; E461-Y578 HydrophobicContact CB-CD2 3.83Å; E461-Y578 HydrophobicContact CB-CE2 4.19Å; V462-Y578 HydrophobicContact CG2-CD2 4.08Å; V462-Y578 HydrophobicContact CG2-CG 3.98Å; Y486-Y578 PolarHBondContact OH-OH 2.94Å; W531-Y578 HydrophobicContact CB-CE1 4.5Å; W531-Y578 WeakPolarHBondContact O-CE1 3.46Å; S535-Y578 PolarHBondContact OG-OH 3.42Å; S574-Y578 WeakPolarHBondContact O-CB 3.29Å; S574-Y578 PolarHBondContact O-N 2.93Å; I576-Y578 VanDerWaalsContact C-N 3.34Å; I576-Y578 PolarHBondContact O-N 3.37Å; Y578-V580 PolarHBondContact O-N 3.45Å; Y578-G581 PolarHBondContact O-N 2.94Å; Y578-Q582 HydrophobicContact CD2-CG 4.19Å; Y578-Q582 HydrophobicContact CE1-CG 4.28Å; Y578-Q582 HydrophobicContact CE2-CG 3.73Å; Y578-Q582 WeakPolarHBondContact O-CG 3.42Å; Y578-Q582 PolarHBondContact O-N 3.49Å; Y578-Q582 VanDerWaalsContact O-N 3.11Å |
| 579 | V | 95.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.9 | -54.4 | -179.9 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | C530 I533 L549 V552 N575 I576 G581 Q582 Y583 | C530-V579 HydrophobicContact CB-CG2 4.25Å; I533-V579 HydrophobicContact CB-CG2 4.46Å; I533-V579 HydrophobicContact CG2-CG1 4.13Å; I533-V579 HydrophobicContact CG2-CG2 4.11Å; L549-V579 HydrophobicContact CD2-CG1 4.26Å; V552-V579 HydrophobicContact CG1-CG1 4.45Å; N575-V579 WeakPolarHBondContact O-CG2 3.41Å; N575-V579 PolarHBondContact O-N 3.24Å; I576-V579 PolarHBondContact O-N 3.32Å; V579-G581 VanDerWaalsContact C-N 3.29Å; V579-G581 PolarHBondContact O-N 3.31Å; V579-Q582 PolarHBondContact O-N 3.25Å; V579-Q582 VanDerWaalsContact O-N 3.12Å; V579-Y583 HydrophobicContact CG1-CD2 4.21Å; V579-Y583 HydrophobicContact CG1-CE2 4.26Å; V579-Y583 VanDerWaalsContact O-CD2 3.23Å; V579-Y583 WeakPolarHBondContact O-CD2 3.41Å; V579-Y583 PolarHBondContact O-N 3.17Å |
| 580 | V | 93.5 | Very high | 93.6 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 2% | 0.024 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.1 | -34.2 | -177.7 | -63.7 | 0 | 0 | 0 | 0 | 113.1 | I553 I576 M577 Y578 Q582 Y583 V597 T619 | I553-V580 HydrophobicContact CD1-CG1 3.89Å; I553-V580 HydrophobicContact CG1-CG1 4.38Å; I576-V580 HydrophobicContact CG2-CG1 4.43Å; I576-V580 WeakPolarHBondContact O-CG2 3.39Å; I576-V580 PolarHBondContact O-N 2.92Å; M577-V580 WeakPolarHBondContact O-CG2 3.49Å; Y578-V580 PolarHBondContact O-N 3.45Å; V580-Q582 VanDerWaalsContact C-N 3.31Å; V580-Q582 PolarHBondContact O-N 2.94Å; V580-Y583 PolarHBondContact O-N 3.23Å; V580-V597 HydrophobicContact CB-CG1 4.14Å; V580-V597 HydrophobicContact CB-CG2 4.41Å; V580-V597 HydrophobicContact CG1-CG2 4.05Å; V580-V597 HydrophobicContact CG2-CG1 3.79Å; V580-T619 HydrophobicContact CG2-CG2 4.35Å |
| 581 | G | 93.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 14.9 Ų | 14.9 | 5% | 0.052 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.7 | -34.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M577 Y578 V579 Y583 H1100 | M577-G581 PolarHBondContact O-N 3.41Å; Y578-G581 PolarHBondContact O-N 2.94Å; V579-G581 VanDerWaalsContact C-N 3.29Å; V579-G581 PolarHBondContact O-N 3.31Å; G581-Y583 VanDerWaalsContact C-N 3.34Å; G581-Y583 PolarHBondContact O-N 3.32Å; G581-H1100 PolarHBondContact O-CE1 3.24Å; G581-H1100 PolarHBondContact O-NE2 2.64Å |
| 582 | Q | 94.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.009 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -77.4 | -11.3 | 177.7 | -63 | -57.1 | -42.1 | 0 | 0 | 113.8 | E461 S537 Y578 V579 V580 P584 N1098 P1099 | E461-Q582 PolarHBondContact OE1-NE2 3.3Å; S537-Q582 WeakPolarHBondContact CB-O 3.18Å; S537-Q582 PolarHBondContact OG-O 3.27Å; Y578-Q582 HydrophobicContact CD2-CG 4.19Å; Y578-Q582 HydrophobicContact CE1-CG 4.28Å; Y578-Q582 HydrophobicContact CE2-CG 3.73Å; Y578-Q582 WeakPolarHBondContact O-CG 3.42Å; Y578-Q582 PolarHBondContact O-N 3.49Å; Y578-Q582 VanDerWaalsContact O-N 3.11Å; V579-Q582 PolarHBondContact O-N 3.25Å; V579-Q582 VanDerWaalsContact O-N 3.12Å; V580-Q582 VanDerWaalsContact C-N 3.31Å; V580-Q582 PolarHBondContact O-N 2.94Å; Q582-P584 WeakPolarHBondContact O-CD 3.48Å; Q582-N1098 PolarHBondContact OE1-ND2 3.05Å; Q582-N1098 VanDerWaalsContact OE1-ND2 3.14Å; Q582-P1099 WeakPolarHBondContact O-CG 3.31Å |
| 583 | Y | 94.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | trans | -115.9 | 57 | -175.9 | -72.1 | -84.5 | 0 | 0 | 0 | 114.1 | I533 S537 E545 L549 V579 V580 G581 R585 F586 L587 | I533-Y583 PolarHBondContact O-OH 3.5Å; S537-Y583 VanDerWaalsContact CA-CE1 3.45Å; S537-Y583 WeakPolarHBondContact OG-CD1 3.46Å; E545-Y583 HydrophobicContact CG-CD1 3.91Å; E545-Y583 HydrophobicContact CG-CE1 3.81Å; E545-Y583 WeakPolarHBondContact OE2-CE1 3.28Å; L549-Y583 HydrophobicContact CD1-CD1 3.48Å; L549-Y583 VanDerWaalsContact CD1-CD1 3.48Å; L549-Y583 HydrophobicContact CD1-CD2 4.1Å; L549-Y583 HydrophobicContact CD1-CE1 3.97Å; L549-Y583 HydrophobicContact CD1-CG 3.53Å; L549-Y583 HydrophobicContact CD2-CD1 4.18Å; L549-Y583 HydrophobicContact CD2-CD2 3.61Å; L549-Y583 HydrophobicContact CD2-CE1 4.07Å; L549-Y583 HydrophobicContact CD2-CE2 3.59Å; L549-Y583 HydrophobicContact CD2-CG 3.94Å; L549-Y583 HydrophobicContact CG-CD1 4.31Å; L549-Y583 HydrophobicContact CG-CD2 4.49Å; L549-Y583 HydrophobicContact CG-CE1 4.35Å; L549-Y583 HydrophobicContact CG-CG 4.35Å; V579-Y583 HydrophobicContact CG1-CD2 4.21Å; V579-Y583 HydrophobicContact CG1-CE2 4.26Å; V579-Y583 VanDerWaalsContact O-CD2 3.23Å; V579-Y583 WeakPolarHBondContact O-CD2 3.41Å; V579-Y583 PolarHBondContact O-N 3.17Å; V580-Y583 PolarHBondContact O-N 3.23Å; G581-Y583 VanDerWaalsContact C-N 3.34Å; G581-Y583 PolarHBondContact O-N 3.32Å; Y583-R585 PolarHBondContact O-N 2.93Å; Y583-F586 PolarHBondContact O-N 2.98Å; Y583-L587 WeakPolarHBondContact O-CG 3.45Å; Y583-L587 PolarHBondContact O-N 3.49Å | ||
| 584 | P | 91.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.032 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.7 | -28.6 | 179.5 | 27.1 | -34.1 | 0 | 0 | 0 | 112.9 | Q582 L587 R588 K626 P1099 | Q582-P584 WeakPolarHBondContact O-CD 3.48Å; P584-L587 PolarHBondContact O-N 2.98Å; P584-R588 WeakPolarHBondContact O-CG 3.44Å; P584-R588 PolarHBondContact O-N 2.93Å; P584-K626 HydrophobicContact CB-CB 3.7Å; P584-K626 HydrophobicContact CB-CG 4.29Å; P584-K626 HydrophobicContact CG-CB 4.33Å; P584-K626 HydrophobicContact CG-CG 4.4Å; P584-P1099 HydrophobicContact CG-CB 3.74Å |
| 585 | R | 91.2 | Very high | 93.4 | Very high | 75 Ų | 75 | 26 Ų | 26 | 28% | 0.283 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -58 | -51.9 | 175 | 178.7 | 174 | 65.8 | 173.8 | -0.4 | 111.4 | L540 E545 Y583 L587 R588 A589 | L540-R585 PolarHBondContact O-NH2 3.22Å; E545-R585 IonicContact OE1-CZ 3.99Å; E545-R585 IonicContact OE1-NE 3.84Å; E545-R585 PolarHBondContact OE1-NE 2.69Å; E545-R585 IonicContact OE1-NH2 3.37Å; E545-R585 PolarHBondContact OE1-NH2 2.78Å; E545-R585 IonicContact OE2-CZ 2.84Å; E545-R585 IonicContact OE2-NE 3.74Å; E545-R585 IonicContact OE2-NH2 3.46Å; E545-R585 PolarHBondContact OE2-NH2 3.2Å; Y583-R585 PolarHBondContact O-N 2.93Å; R585-L587 VanDerWaalsContact C-N 3.34Å; R585-L587 PolarHBondContact O-N 3.01Å; R585-R588 PolarHBondContact O-N 2.81Å; R585-A589 PolarHBondContact O-N 3.45Å |
| 586 | F | 92.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | 176 | 173.3 | -96.5 | 0 | 0 | 0 | 112 | K546 L549 V550 I553 Y583 R588 A589 H590 F593 | K546-F586 HydrophobicContact CB-CD2 4.26Å; K546-F586 HydrophobicContact CB-CE2 4.25Å; K546-F586 HydrophobicContact CG-CE2 4.1Å; L549-F586 HydrophobicContact CB-CD2 4.32Å; L549-F586 HydrophobicContact CB-CE2 4.22Å; L549-F586 HydrophobicContact CB-CZ 4.39Å; L549-F586 HydrophobicContact CD1-CB 3.65Å; L549-F586 HydrophobicContact CD1-CD1 4.09Å; L549-F586 HydrophobicContact CD1-CD2 3.84Å; L549-F586 HydrophobicContact CD1-CG 3.59Å; V550-F586 HydrophobicContact CG2-CE2 4.07Å; V550-F586 HydrophobicContact CG2-CZ 3.98Å; I553-F586 HydrophobicContact CD1-CE1 4.46Å; Y583-F586 PolarHBondContact O-N 2.98Å; F586-R588 PolarHBondContact O-N 3.32Å; F586-A589 PolarHBondContact O-N 2.93Å; F586-H590 AromaticContact CD2-CD2 3.39Å; F586-H590 WeakPolarHBondContact CD2-CD2 3.44Å; F586-H590 AromaticContact CD2-NE2 3.92Å; F586-H590 AromaticContact CE2-CD2 3.28Å; F586-H590 WeakPolarHBondContact CE2-CD2 3.5Å; F586-H590 AromaticContact CE2-NE2 3.81Å; F586-H590 AromaticContact CZ-CD2 3.82Å; F586-H590 PolarHBondContact O-CD2 3.12Å; F586-H590 VanDerWaalsContact O-CD2 3.26Å; F586-H590 PolarHBondContact O-N 2.9Å; F586-F593 HydrophobicContact CD1-CD1 4.45Å; F586-F593 HydrophobicContact CE1-CB 4.36Å; F586-F593 AromaticContact CE1-CD1 3.58Å; F586-F593 HydrophobicContact CE1-CD1 3.58Å; F586-F593 HydrophobicContact CE1-CD2 4.14Å; F586-F593 AromaticContact CE1-CE1 3.81Å; F586-F593 HydrophobicContact CE1-CE1 3.81Å; F586-F593 HydrophobicContact CE1-CE2 4.34Å; F586-F593 AromaticContact CE1-CG 3.74Å; F586-F593 HydrophobicContact CE1-CG 3.74Å; F586-F593 HydrophobicContact CE1-CZ 4.16Å; F586-F593 HydrophobicContact CZ-CD1 4.42Å; F586-F593 HydrophobicContact CZ-CD2 4.19Å; F586-F593 HydrophobicContact CZ-CE2 4.38Å; F586-F593 HydrophobicContact CZ-CG 4.19Å |
| 587 | L | 92.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.8 | -38.9 | 179.9 | -64.4 | 178.9 | 0 | 0 | 0 | 112.7 | Y583 P584 R585 A589 H590 F593 L594 V597 I623 | Y583-L587 WeakPolarHBondContact O-CG 3.45Å; Y583-L587 PolarHBondContact O-N 3.49Å; P584-L587 PolarHBondContact O-N 2.98Å; R585-L587 VanDerWaalsContact C-N 3.34Å; R585-L587 PolarHBondContact O-N 3.01Å; L587-A589 PolarHBondContact O-N 3.03Å; L587-H590 CarbonylContact O-C 3.53Å; L587-H590 PolarHBondContact O-N 3.42Å; L587-F593 HydrophobicContact CD2-CD1 3.9Å; L587-L594 HydrophobicContact CB-CB 4.37Å; L587-L594 HydrophobicContact CB-CD1 4.19Å; L587-L594 HydrophobicContact CD1-CD1 4.33Å; L587-V597 HydrophobicContact CD2-CG2 4.23Å; L587-I623 HydrophobicContact CD1-CD1 3.8Å; L587-I623 HydrophobicContact CD1-CG1 3.93Å; L587-I623 HydrophobicContact CD1-CG2 4.09Å |
| 588 | R | 92.5 | Very high | 93.2 | Very high | 64 Ų | 64 | 30.4 Ų | 30.4 | 24% | 0.242 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63 | -39.6 | 175.1 | -72 | -172.1 | -65.2 | -117.8 | 8.8 | 112.6 | P584 R585 F586 H590 K626 C627 H630 Q1107 | P584-R588 WeakPolarHBondContact O-CG 3.44Å; P584-R588 PolarHBondContact O-N 2.93Å; R585-R588 PolarHBondContact O-N 2.81Å; F586-R588 PolarHBondContact O-N 3.32Å; R588-H590 VanDerWaalsContact C-N 3.28Å; R588-H590 PolarHBondContact O-N 3.31Å; R588-K626 PolarHBondContact NH1-O 2.9Å; R588-C627 HydrophobicContact CG-CB 4.36Å; R588-H630 VanDerWaalsContact CG-CE1 3.49Å; R588-H630 WeakPolarHBondContact CG-CE1 3.41Å; R588-H630 PolarHBondContact O-NE2 2.88Å; R588-Q1107 VanDerWaalsContact CZ-OE1 3.31Å |
| 589 | A | 91 | Very high | 93.1 | Very high | 48 Ų | 48 | 33 Ų | 33 | 40% | 0.397 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -73.8 | -17.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R585 F586 L587 | R585-A589 PolarHBondContact O-N 3.45Å; F586-A589 PolarHBondContact O-N 2.93Å; L587-A589 PolarHBondContact O-N 3.03Å |
| 590 | H | 91.7 | Very high | 92.9 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 23% | 0.231 | 18% | 0.176 | C | C | . | . | trans | -132.2 | 74.8 | -169.7 | -61.6 | -48.8 | 0 | 0 | 0 | 113.1 | K546 F586 L587 R588 K592 F593 L594 | K546-H590 WeakPolarHBondContact CD-NE2 3.41Å; F586-H590 AromaticContact CD2-CD2 3.39Å; F586-H590 WeakPolarHBondContact CD2-CD2 3.44Å; F586-H590 AromaticContact CD2-NE2 3.92Å; F586-H590 AromaticContact CE2-CD2 3.28Å; F586-H590 WeakPolarHBondContact CE2-CD2 3.5Å; F586-H590 AromaticContact CE2-NE2 3.81Å; F586-H590 AromaticContact CZ-CD2 3.82Å; F586-H590 PolarHBondContact O-CD2 3.12Å; F586-H590 VanDerWaalsContact O-CD2 3.26Å; F586-H590 PolarHBondContact O-N 2.9Å; L587-H590 CarbonylContact O-C 3.53Å; L587-H590 PolarHBondContact O-N 3.42Å; R588-H590 VanDerWaalsContact C-N 3.28Å; R588-H590 PolarHBondContact O-N 3.31Å; H590-K592 PolarHBondContact O-N 3.22Å; H590-F593 HydrophobicContact CB-CB 3.95Å; H590-F593 WeakPolarHBondContact O-CA 3.1Å; H590-F593 VanDerWaalsContact O-CB 3.26Å; H590-F593 WeakPolarHBondContact O-CB 3.46Å; H590-F593 PolarHBondContact O-N 3.19Å; H590-L594 PolarHBondContact O-N 3.35Å | ||
| 591 | W | 93.4 | Very high | 92.9 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 9% | 0.087 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -45.9 | -50.7 | -178.4 | 172.1 | -112.3 | 0 | 0 | 0 | 115 | F593 L594 K595 H630 Q635 E638 F642 | W591-F593 PolarHBondContact O-N 3.45Å; W591-L594 HydrophobicContact CE3-CB 4.49Å; W591-L594 HydrophobicContact CE3-CD2 3.96Å; W591-L594 HydrophobicContact CE3-CG 4.42Å; W591-L594 HydrophobicContact CZ3-CD2 3.88Å; W591-L594 HydrophobicContact CZ3-CG 4.31Å; W591-L594 WeakPolarHBondContact O-CB 3.22Å; W591-L594 PolarHBondContact O-N 2.92Å; W591-L594 VanDerWaalsContact O-N 3.12Å; W591-K595 HydrophobicContact CZ2-CB 4.19Å; W591-K595 HydrophobicContact CZ2-CD 4.11Å; W591-K595 HydrophobicContact CZ2-CG 4.37Å; W591-K595 PolarHBondContact O-N 2.82Å; W591-H630 HydrophobicContact CE3-CB 4.38Å; W591-H630 HydrophobicContact CZ3-CB 4.19Å; W591-Q635 HydrophobicContact CD2-CB 3.62Å; W591-Q635 HydrophobicContact CD2-CG 3.35Å; W591-Q635 VanDerWaalsContact CE2-CG 3.49Å; W591-Q635 HydrophobicContact CE3-CB 4.34Å; W591-Q635 HydrophobicContact CE3-CG 3.55Å; W591-Q635 HydrophobicContact CG-CB 3.67Å; W591-Q635 HydrophobicContact CG-CG 3.84Å; W591-Q635 HydrophobicContact CH2-CG 3.99Å; W591-Q635 HydrophobicContact CZ2-CB 4.12Å; W591-Q635 HydrophobicContact CZ2-CG 3.82Å; W591-Q635 HydrophobicContact CZ3-CG 3.87Å; W591-E638 HydrophobicContact CZ2-CG 4.3Å; W591-E638 PolarHBondContact NE1-OE1 3.13Å; W591-F642 HydrophobicContact CH2-CB 3.45Å; W591-F642 VanDerWaalsContact CH2-CB 3.45Å; W591-F642 AromaticContact CH2-CD1 3.74Å; W591-F642 HydrophobicContact CH2-CD1 3.74Å; W591-F642 AromaticContact CH2-CG 3.84Å; W591-F642 HydrophobicContact CH2-CG 3.84Å; W591-F642 HydrophobicContact CZ2-CB 3.79Å; W591-F642 HydrophobicContact CZ2-CD1 4.36Å; W591-F642 HydrophobicContact CZ2-CG 4.13Å |
| 592 | K | 92.6 | Very high | 93 | Very high | 165 Ų | 165 | 37 Ų | 37 | 72% | 0.717 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -56.7 | -38.9 | -179.6 | -69.6 | -174 | 178.8 | -177.6 | 0 | 111.7 | H590 T596 | H590-K592 PolarHBondContact O-N 3.22Å; K592-T596 PolarHBondContact O-N 3.46Å; K592-T596 PolarHBondContact O-OG1 2.97Å |
| 593 | F | 91.2 | Very high | 92.9 | Very high | 49 Ų | 49 | 42 Ų | 42 | 22% | 0.215 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.6 | -44.9 | 179 | -154.2 | -78.5 | 0 | 0 | 0 | 111.2 | I553 F586 L587 H590 W591 K595 T596 V597 | I553-F593 HydrophobicContact CB-CZ 3.81Å; I553-F593 HydrophobicContact CD1-CE1 3.51Å; I553-F593 HydrophobicContact CD1-CZ 3.37Å; I553-F593 HydrophobicContact CG1-CZ 4.17Å; I553-F593 HydrophobicContact CG2-CE1 4.21Å; I553-F593 HydrophobicContact CG2-CZ 3.54Å; F586-F593 HydrophobicContact CD1-CD1 4.45Å; F586-F593 HydrophobicContact CE1-CB 4.36Å; F586-F593 AromaticContact CE1-CD1 3.58Å; F586-F593 HydrophobicContact CE1-CD1 3.58Å; F586-F593 HydrophobicContact CE1-CD2 4.14Å; F586-F593 AromaticContact CE1-CE1 3.81Å; F586-F593 HydrophobicContact CE1-CE1 3.81Å; F586-F593 HydrophobicContact CE1-CE2 4.34Å; F586-F593 AromaticContact CE1-CG 3.74Å; F586-F593 HydrophobicContact CE1-CG 3.74Å; F586-F593 HydrophobicContact CE1-CZ 4.16Å; F586-F593 HydrophobicContact CZ-CD1 4.42Å; F586-F593 HydrophobicContact CZ-CD2 4.19Å; F586-F593 HydrophobicContact CZ-CE2 4.38Å; F586-F593 HydrophobicContact CZ-CG 4.19Å; L587-F593 HydrophobicContact CD2-CD1 3.9Å; H590-F593 HydrophobicContact CB-CB 3.95Å; H590-F593 WeakPolarHBondContact O-CA 3.1Å; H590-F593 VanDerWaalsContact O-CB 3.26Å; H590-F593 WeakPolarHBondContact O-CB 3.46Å; H590-F593 PolarHBondContact O-N 3.19Å; W591-F593 PolarHBondContact O-N 3.45Å; F593-K595 PolarHBondContact O-N 2.8Å; F593-T596 PolarHBondContact O-N 2.82Å; F593-V597 HydrophobicContact CD1-CG2 3.68Å; F593-V597 HydrophobicContact CE1-CG2 3.61Å; F593-V597 WeakPolarHBondContact O-CG2 3.44Å; F593-V597 PolarHBondContact O-N 3.32Å |
| 594 | L | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.8 | -51.1 | 172.7 | 173.9 | 58.1 | 0 | 0 | 0 | 110.9 | L587 H590 W591 T596 V597 I598 I623 C627 H630 F631 | L587-L594 HydrophobicContact CB-CB 4.37Å; L587-L594 HydrophobicContact CB-CD1 4.19Å; L587-L594 HydrophobicContact CD1-CD1 4.33Å; H590-L594 PolarHBondContact O-N 3.35Å; W591-L594 HydrophobicContact CE3-CB 4.49Å; W591-L594 HydrophobicContact CE3-CD2 3.96Å; W591-L594 HydrophobicContact CE3-CG 4.42Å; W591-L594 HydrophobicContact CZ3-CD2 3.88Å; W591-L594 HydrophobicContact CZ3-CG 4.31Å; W591-L594 WeakPolarHBondContact O-CB 3.22Å; W591-L594 PolarHBondContact O-N 2.92Å; W591-L594 VanDerWaalsContact O-N 3.12Å; L594-T596 VanDerWaalsContact C-N 3.34Å; L594-T596 PolarHBondContact O-N 2.97Å; L594-V597 PolarHBondContact O-N 3.02Å; L594-I598 HydrophobicContact CD1-CD1 4.17Å; L594-I598 HydrophobicContact CD1-CG1 3.89Å; L594-I598 HydrophobicContact CG-CG1 4.5Å; L594-I598 WeakPolarHBondContact O-CG1 3.31Å; L594-I598 PolarHBondContact O-N 3.38Å; L594-I623 HydrophobicContact CD1-CG2 3.48Å; L594-I623 VanDerWaalsContact CD1-CG2 3.48Å; L594-C627 HydrophobicContact CD2-CB 4.12Å; L594-H630 HydrophobicContact CD2-CB 4.09Å; L594-F631 HydrophobicContact CD1-CZ 4.24Å; L594-F631 HydrophobicContact CD2-CZ 4.49Å |
| 595 | K | 94.8 | Very high | 92.9 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 13% | 0.13 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.7 | -44.4 | 177.7 | -167 | 173.9 | -170.3 | 176.6 | 0 | 112 | W591 F593 I598 N599 E638 F642 E645 | W591-K595 HydrophobicContact CZ2-CB 4.19Å; W591-K595 HydrophobicContact CZ2-CD 4.11Å; W591-K595 HydrophobicContact CZ2-CG 4.37Å; W591-K595 PolarHBondContact O-N 2.82Å; F593-K595 PolarHBondContact O-N 2.8Å; K595-I598 PolarHBondContact O-N 2.88Å; K595-N599 PolarHBondContact O-N 2.78Å; K595-E638 WeakPolarHBondContact CD-OE1 3.35Å; K595-E638 IonicContact NZ-OE1 2.7Å; K595-E638 IonicContact NZ-OE2 3.42Å; K595-E638 PolarHBondContact NZ-OE2 3.32Å; K595-F642 HydrophobicContact CD-CE2 4.46Å; K595-F642 HydrophobicContact CG-CE1 4.36Å; K595-F642 HydrophobicContact CG-CE2 4.2Å; K595-F642 HydrophobicContact CG-CZ 4.11Å; K595-E645 VanDerWaalsContact CE-OE2 3.29Å; K595-E645 WeakPolarHBondContact CE-OE2 3.44Å; K595-E645 IonicContact NZ-OE2 3.57Å; K595-E645 PolarHBondContact NZ-OE2 2.94Å |
| 596 | T | 92 | Very high | 93 | Very high | 90 Ų | 90 | 42.6 Ų | 42.6 | 55% | 0.552 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -61.2 | -44.7 | 175.8 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | K592 F593 L594 K600 | K592-T596 PolarHBondContact O-N 3.46Å; K592-T596 PolarHBondContact O-OG1 2.97Å; F593-T596 PolarHBondContact O-N 2.82Å; L594-T596 VanDerWaalsContact C-N 3.34Å; L594-T596 PolarHBondContact O-N 2.97Å; T596-K600 WeakPolarHBondContact O-CB 3.47Å; T596-K600 PolarHBondContact O-N 3.46Å |
| 597 | V | 92.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 178.2 | 168.8 | 0 | 0 | 0 | 0 | 110.6 | V580 L587 F593 L594 N599 K600 L601 I623 | V580-V597 HydrophobicContact CB-CG1 4.14Å; V580-V597 HydrophobicContact CB-CG2 4.41Å; V580-V597 HydrophobicContact CG1-CG2 4.05Å; V580-V597 HydrophobicContact CG2-CG1 3.79Å; L587-V597 HydrophobicContact CD2-CG2 4.23Å; F593-V597 HydrophobicContact CD1-CG2 3.68Å; F593-V597 HydrophobicContact CE1-CG2 3.61Å; F593-V597 WeakPolarHBondContact O-CG2 3.44Å; F593-V597 PolarHBondContact O-N 3.32Å; L594-V597 PolarHBondContact O-N 3.02Å; V597-N599 PolarHBondContact O-N 2.89Å; V597-K600 CarbonylContact O-C 3.57Å; V597-K600 WeakPolarHBondContact O-CA 3.15Å; V597-K600 WeakPolarHBondContact O-CB 3.44Å; V597-K600 PolarHBondContact O-N 3.2Å; V597-K600 VanDerWaalsContact O-N 3.09Å; V597-L601 HydrophobicContact CG1-CD1 4.4Å; V597-L601 HydrophobicContact CG1-CG 4.45Å; V597-L601 WeakPolarHBondContact O-CG 3.31Å; V597-L601 PolarHBondContact O-N 2.83Å; V597-I623 HydrophobicContact CG1-CD1 3.94Å |
| 598 | I | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.9 | -45.8 | 180 | -62.4 | -55.8 | 0 | 0 | 0 | 111.6 | L594 K595 K600 L601 F602 F620 I623 F631 F642 | L594-I598 HydrophobicContact CD1-CD1 4.17Å; L594-I598 HydrophobicContact CD1-CG1 3.89Å; L594-I598 HydrophobicContact CG-CG1 4.5Å; L594-I598 WeakPolarHBondContact O-CG1 3.31Å; L594-I598 PolarHBondContact O-N 3.38Å; K595-I598 PolarHBondContact O-N 2.88Å; I598-K600 PolarHBondContact O-N 3.43Å; I598-L601 HydrophobicContact CD1-CD1 4.14Å; I598-L601 WeakPolarHBondContact O-CB 3.46Å; I598-L601 PolarHBondContact O-N 3.45Å; I598-L601 VanDerWaalsContact O-N 3.1Å; I598-F602 HydrophobicContact CG2-CD1 4.49Å; I598-F602 HydrophobicContact CG2-CD2 4.22Å; I598-F602 HydrophobicContact CG2-CE1 3.86Å; I598-F602 HydrophobicContact CG2-CE2 3.56Å; I598-F602 HydrophobicContact CG2-CZ 3.36Å; I598-F602 WeakPolarHBondContact O-CG 3.25Å; I598-F602 PolarHBondContact O-N 3.3Å; I598-F620 HydrophobicContact CD1-CD2 3.91Å; I598-F620 HydrophobicContact CD1-CE2 4.18Å; I598-F620 HydrophobicContact CG2-CD2 4.37Å; I598-F620 HydrophobicContact CG2-CE2 3.98Å; I598-I623 HydrophobicContact CD1-CB 4.33Å; I598-I623 HydrophobicContact CD1-CD1 4.39Å; I598-I623 HydrophobicContact CD1-CG2 3.83Å; I598-F631 HydrophobicContact CD1-CE1 4.44Å; I598-F631 HydrophobicContact CD1-CZ 4.05Å; I598-F631 HydrophobicContact CG1-CE1 3.99Å; I598-F631 HydrophobicContact CG1-CZ 3.97Å; I598-F642 HydrophobicContact CB-CE1 3.96Å; I598-F642 HydrophobicContact CB-CZ 4.45Å; I598-F642 HydrophobicContact CG1-CE1 4.42Å; I598-F642 HydrophobicContact CG2-CE1 3.67Å; I598-F642 HydrophobicContact CG2-CZ 4.05Å |
| 599 | N | 94.4 | Very high | 92.3 | Very high | 59 Ų | 59 | 48.3 Ų | 48.3 | 32% | 0.316 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.3 | -36 | 175.1 | -72.9 | -13.7 | 0 | 0 | 0 | 111.7 | K595 V597 F602 E603 | K595-N599 PolarHBondContact O-N 2.78Å; V597-N599 PolarHBondContact O-N 2.89Å; N599-F602 PolarHBondContact O-N 2.81Å; N599-E603 PolarHBondContact O-N 2.89Å |
| 600 | K | 90.9 | Very high | 91.7 | Very high | 68 Ų | 68 | 52 Ų | 52 | 30% | 0.296 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.3 | -35.4 | 175.9 | -164.1 | 62.3 | 178.2 | 176.3 | 0 | 112.9 | T596 V597 I598 F602 E603 F604 | T596-K600 WeakPolarHBondContact O-CB 3.47Å; T596-K600 PolarHBondContact O-N 3.46Å; V597-K600 CarbonylContact O-C 3.57Å; V597-K600 WeakPolarHBondContact O-CA 3.15Å; V597-K600 WeakPolarHBondContact O-CB 3.44Å; V597-K600 PolarHBondContact O-N 3.2Å; V597-K600 VanDerWaalsContact O-N 3.09Å; I598-K600 PolarHBondContact O-N 3.43Å; K600-F602 VanDerWaalsContact C-N 3.34Å; K600-E603 HydrophobicContact CD-CB 4.47Å; K600-E603 VanDerWaalsContact CD-OE2 3.32Å; K600-E603 WeakPolarHBondContact CD-OE2 3.3Å; K600-E603 IonicContact NZ-OE2 3.19Å; K600-E603 PolarHBondContact NZ-OE2 3.48Å; K600-E603 WeakPolarHBondContact O-CB 3.28Å; K600-E603 PolarHBondContact O-N 3.01Å; K600-F604 HydrophobicContact CD-CE1 4.39Å; K600-F604 HydrophobicContact CD-CZ 4.18Å; K600-F604 HydrophobicContact CG-CD2 4.32Å; K600-F604 HydrophobicContact CG-CE1 4.35Å; K600-F604 HydrophobicContact CG-CE2 3.71Å; K600-F604 HydrophobicContact CG-CZ 3.72Å; K600-F604 WeakPolarHBondContact O-CD2 3.42Å; K600-F604 VanDerWaalsContact O-CG 3.29Å; K600-F604 WeakPolarHBondContact O-CG 3.44Å; K600-F604 PolarHBondContact O-N 2.83Å |
| 601 | L | 94.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 171.4 | -64.9 | 177.4 | 0 | 0 | 0 | 110.8 | M577 V597 I598 E603 F604 M605 A616 T619 F620 I623 | M577-L601 HydrophobicContact CG-CD2 3.75Å; M577-L601 HydrophobicContact SD-CD2 3.87Å; V597-L601 HydrophobicContact CG1-CD1 4.4Å; V597-L601 HydrophobicContact CG1-CG 4.45Å; V597-L601 WeakPolarHBondContact O-CG 3.31Å; V597-L601 PolarHBondContact O-N 2.83Å; I598-L601 HydrophobicContact CD1-CD1 4.14Å; I598-L601 WeakPolarHBondContact O-CB 3.46Å; I598-L601 PolarHBondContact O-N 3.45Å; I598-L601 VanDerWaalsContact O-N 3.1Å; L601-E603 VanDerWaalsContact C-N 3.33Å; L601-E603 PolarHBondContact O-N 2.91Å; L601-F604 HydrophobicContact CD2-CD2 4.44Å; L601-F604 CarbonylContact O-C 3.56Å; L601-F604 PolarHBondContact O-N 3.4Å; L601-F604 VanDerWaalsContact O-N 3.11Å; L601-M605 WeakPolarHBondContact O-CG 3.43Å; L601-M605 PolarHBondContact O-N 2.79Å; L601-A616 HydrophobicContact CD2-CB 4.45Å; L601-T619 HydrophobicContact CD1-CG2 4Å; L601-T619 HydrophobicContact CD2-CG2 4Å; L601-F620 HydrophobicContact CD1-CB 4.11Å; L601-I623 HydrophobicContact CD1-CD1 4.04Å |
| 602 | F | 95.2 | Very high | 91.5 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 10% | 0.096 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.3 | -39.5 | 173.9 | -60.2 | -20.7 | 0 | 0 | 0 | 111.8 | I598 N599 K600 F604 M605 H606 F620 F642 I646 T653 F665 | I598-F602 HydrophobicContact CG2-CD1 4.49Å; I598-F602 HydrophobicContact CG2-CD2 4.22Å; I598-F602 HydrophobicContact CG2-CE1 3.86Å; I598-F602 HydrophobicContact CG2-CE2 3.56Å; I598-F602 HydrophobicContact CG2-CZ 3.36Å; I598-F602 WeakPolarHBondContact O-CG 3.25Å; I598-F602 PolarHBondContact O-N 3.3Å; N599-F602 PolarHBondContact O-N 2.81Å; K600-F602 VanDerWaalsContact C-N 3.34Å; F602-F604 VanDerWaalsContact C-N 3.34Å; F602-F604 PolarHBondContact O-N 3.31Å; F602-M605 HydrophobicContact CD1-CE 4.06Å; F602-M605 HydrophobicContact CD1-SD 3.83Å; F602-M605 HydrophobicContact CE1-CE 4.38Å; F602-M605 HydrophobicContact CE1-SD 4.5Å; F602-M605 WeakPolarHBondContact O-CB 3.4Å; F602-M605 PolarHBondContact O-N 2.88Å; F602-H606 PolarHBondContact O-CD2 3.37Å; F602-F620 HydrophobicContact CE1-CD2 4.05Å; F602-F620 HydrophobicContact CE1-CE1 4.3Å; F602-F620 AromaticContact CE1-CE2 3.72Å; F602-F620 HydrophobicContact CE1-CE2 3.72Å; F602-F620 HydrophobicContact CE1-CG 4.48Å; F602-F620 AromaticContact CE1-CZ 3.86Å; F602-F620 HydrophobicContact CE1-CZ 3.86Å; F602-F620 AromaticContact CZ-CE2 3.91Å; F602-F620 HydrophobicContact CZ-CE2 3.91Å; F602-F620 HydrophobicContact CZ-CZ 4.03Å; F602-F642 HydrophobicContact CE2-CZ 4.47Å; F602-I646 HydrophobicContact CE2-CG1 4.09Å; F602-I646 HydrophobicContact CZ-CD1 4.21Å; F602-I646 HydrophobicContact CZ-CG1 4.04Å; F602-I646 HydrophobicContact CZ-CG2 4.43Å; F602-T653 HydrophobicContact CB-CG2 4.25Å; F602-T653 HydrophobicContact CD1-CG2 3.73Å; F602-T653 HydrophobicContact CD2-CG2 4.45Å; F602-T653 HydrophobicContact CE1-CG2 4.15Å; F602-T653 HydrophobicContact CG-CG2 3.9Å; F602-F665 HydrophobicContact CD1-CE2 4.21Å; F602-F665 AromaticContact CE1-CE2 3.65Å; F602-F665 HydrophobicContact CE1-CE2 3.65Å; F602-F665 HydrophobicContact CE1-CZ 4.12Å; F602-F665 HydrophobicContact CZ-CE2 4.37Å; F602-F665 HydrophobicContact CZ-CZ 4.4Å |
| 603 | E | 92.7 | Very high | 91.5 | Very high | 108 Ų | 108 | 41.6 Ų | 41.6 | 51% | 0.505 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 170.7 | -71 | 178.1 | -158.5 | 0 | 0 | 112.5 | N599 K600 L601 M605 H606 | N599-E603 PolarHBondContact O-N 2.89Å; K600-E603 HydrophobicContact CD-CB 4.47Å; K600-E603 VanDerWaalsContact CD-OE2 3.32Å; K600-E603 WeakPolarHBondContact CD-OE2 3.3Å; K600-E603 IonicContact NZ-OE2 3.19Å; K600-E603 PolarHBondContact NZ-OE2 3.48Å; K600-E603 WeakPolarHBondContact O-CB 3.28Å; K600-E603 PolarHBondContact O-N 3.01Å; L601-E603 VanDerWaalsContact C-N 3.33Å; L601-E603 PolarHBondContact O-N 2.91Å; E603-M605 VanDerWaalsContact C-N 3.3Å; E603-M605 PolarHBondContact O-N 3.32Å; E603-H606 WeakPolarHBondContact O-CB 3.33Å; E603-H606 PolarHBondContact O-N 3.02Å; E603-H606 VanDerWaalsContact O-N 3.14Å |
| 604 | F | 92.3 | Very high | 91.5 | Very high | 21 Ų | 21 | 40 Ų | 40 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70 | -24.5 | 178 | -65.6 | -32.1 | 0 | 0 | 0 | 113.6 | A573 M577 K600 L601 F602 H606 E607 V612 A616 | A573-F604 HydrophobicContact CB-CD1 4.47Å; A573-F604 HydrophobicContact CB-CE1 3.93Å; A573-F604 HydrophobicContact CB-CE2 4.15Å; A573-F604 HydrophobicContact CB-CZ 3.75Å; M577-F604 HydrophobicContact CE-CD2 4.39Å; M577-F604 HydrophobicContact CG-CD2 3.97Å; M577-F604 HydrophobicContact CG-CE2 4.05Å; M577-F604 HydrophobicContact SD-CD2 3.7Å; M577-F604 HydrophobicContact SD-CE2 4.34Å; M577-F604 HydrophobicContact SD-CG 4.46Å; K600-F604 HydrophobicContact CD-CE1 4.39Å; K600-F604 HydrophobicContact CD-CZ 4.18Å; K600-F604 HydrophobicContact CG-CD2 4.32Å; K600-F604 HydrophobicContact CG-CE1 4.35Å; K600-F604 HydrophobicContact CG-CE2 3.71Å; K600-F604 HydrophobicContact CG-CZ 3.72Å; K600-F604 WeakPolarHBondContact O-CD2 3.42Å; K600-F604 VanDerWaalsContact O-CG 3.29Å; K600-F604 WeakPolarHBondContact O-CG 3.44Å; K600-F604 PolarHBondContact O-N 2.83Å; L601-F604 HydrophobicContact CD2-CD2 4.44Å; L601-F604 CarbonylContact O-C 3.56Å; L601-F604 PolarHBondContact O-N 3.4Å; L601-F604 VanDerWaalsContact O-N 3.11Å; F602-F604 VanDerWaalsContact C-N 3.34Å; F602-F604 PolarHBondContact O-N 3.31Å; F604-H606 PolarHBondContact O-N 2.9Å; F604-E607 WeakPolarHBondContact O-CB 3.4Å; F604-E607 PolarHBondContact O-N 3.2Å; F604-V612 HydrophobicContact CB-CG1 3.99Å; F604-V612 HydrophobicContact CG-CG1 4.33Å; F604-A616 HydrophobicContact CB-CB 3.86Å |
| 605 | M | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.8 | -21 | 170.5 | -71.2 | 173 | -171.5 | 0 | 0 | 112.4 | L601 F602 E603 Q613 A616 F620 T653 L657 F665 | L601-M605 WeakPolarHBondContact O-CG 3.43Å; L601-M605 PolarHBondContact O-N 2.79Å; F602-M605 HydrophobicContact CD1-CE 4.06Å; F602-M605 HydrophobicContact CD1-SD 3.83Å; F602-M605 HydrophobicContact CE1-CE 4.38Å; F602-M605 HydrophobicContact CE1-SD 4.5Å; F602-M605 WeakPolarHBondContact O-CB 3.4Å; F602-M605 PolarHBondContact O-N 2.88Å; E603-M605 VanDerWaalsContact C-N 3.3Å; E603-M605 PolarHBondContact O-N 3.32Å; M605-Q613 PolarHBondContact O-NE2 3.29Å; M605-A616 HydrophobicContact CG-CB 3.98Å; M605-F620 HydrophobicContact CE-CB 3.79Å; M605-F620 HydrophobicContact CE-CD1 4.07Å; M605-F620 HydrophobicContact CE-CG 4.01Å; M605-T653 HydrophobicContact SD-CG2 4.16Å; M605-L657 HydrophobicContact CB-CD1 4.48Å; M605-L657 HydrophobicContact CB-CD2 3.76Å; M605-L657 HydrophobicContact CB-CG 4.32Å; M605-L657 HydrophobicContact CG-CD1 4.39Å; M605-L657 HydrophobicContact CG-CD2 4.01Å; M605-L657 HydrophobicContact SD-CD1 4.11Å; M605-F665 HydrophobicContact CE-CD2 4.05Å; M605-F665 HydrophobicContact CE-CE2 4.25Å; M605-F665 HydrophobicContact SD-CD2 4.01Å; M605-F665 HydrophobicContact SD-CE2 4.04Å |
| 606 | H | 93.6 | Very high | 91.6 | Very high | 74 Ų | 74 | 38.7 Ų | 38.7 | 34% | 0.343 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 1.3 | 173.5 | -62.6 | -67.6 | 0 | 0 | 0 | 113.9 | F602 E603 F604 T652 D656 | F602-H606 PolarHBondContact O-CD2 3.37Å; E603-H606 WeakPolarHBondContact O-CB 3.33Å; E603-H606 PolarHBondContact O-N 3.02Å; E603-H606 VanDerWaalsContact O-N 3.14Å; F604-H606 PolarHBondContact O-N 2.9Å; H606-T652 PolarHBondContact CE1-O 3.21Å; H606-D656 IonicContact CE1-OD2 3.92Å; H606-D656 IonicContact CG-OD2 3.71Å; H606-D656 IonicContact ND1-OD2 3.41Å; H606-D656 PolarHBondContact ND1-OD2 3.3Å |
| 607 | E | 90 | Very high | 91.7 | Very high | 64 Ų | 64 | 34.5 Ų | 34.5 | 30% | 0.299 | 17% | 0.169 | S | C | . | . | trans | -75.2 | 144.1 | 178.8 | -174.8 | 52.1 | -110.6 | 0 | 0 | 111.3 | F604 H609 V612 Q613 | F604-E607 WeakPolarHBondContact O-CB 3.4Å; F604-E607 PolarHBondContact O-N 3.2Å; E607-H609 HydrophobicContact CG-CB 4.37Å; E607-H609 PolarHBondContact O-N 2.72Å; E607-V612 HydrophobicContact CB-CB 4.47Å; E607-V612 HydrophobicContact CB-CG1 4.01Å; E607-V612 HydrophobicContact CG-CB 4.35Å; E607-V612 HydrophobicContact CG-CG1 4.16Å; E607-Q613 WeakPolarHBondContact O-CG 3.01Å; E607-Q613 PolarHBondContact O-NE2 3.37Å | ||
| 608 | T | 86.4 | Confident | 91.8 | Very high | 95 Ų | 95 | 36.8 Ų | 36.8 | 58% | 0.583 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -73.7 | -12.3 | -175.5 | 53.2 | 0 | 0 | 0 | 0 | 114.6 | K566 | K566-T608 PolarHBondContact NZ-OG1 3.04Š|
| 609 | H | 85.7 | Confident | 91.8 | Very high | 33 Ų | 33 | 37.4 Ų | 37.4 | 15% | 0.153 | 19% | 0.185 | C | C | . | . | trans | -88.6 | 112.9 | -179.3 | -174.3 | -66.5 | 0 | 0 | 0 | 110.1 | V472 E607 G611 V612 Q613 | V472-H609 PolarHBondContact O-NE2 3.02Å; E607-H609 HydrophobicContact CG-CB 4.37Å; E607-H609 PolarHBondContact O-N 2.72Å; H609-G611 VanDerWaalsContact C-N 3.29Å; H609-G611 PolarHBondContact ND1-N 3.33Å; H609-G611 VanDerWaalsContact ND1-N 3.16Å; H609-G611 PolarHBondContact O-N 3.48Å; H609-G611 VanDerWaalsContact O-N 3.16Å; H609-V612 HydrophobicContact CB-CB 4.31Å; H609-V612 HydrophobicContact CB-CG2 3.99Å; H609-V612 PolarHBondContact ND1-N 2.99Å; H609-V612 WeakPolarHBondContact O-CB 3.35Å; H609-V612 PolarHBondContact O-N 3.5Å; H609-Q613 PolarHBondContact O-N 2.84Å | ||
| 610 | E | 79.1 | Confident | 91.9 | Very high | 124 Ų | 124 | 34.6 Ų | 34.6 | 58% | 0.579 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -53.1 | -42.7 | -174.5 | -64.8 | -171.4 | 171.1 | 0 | 0 | 113.2 | V612 Q613 D614 | E610-V612 PolarHBondContact O-N 3.41Å; E610-Q613 PolarHBondContact O-N 2.92Å; E610-D614 PolarHBondContact O-N 3.3Å |
| 611 | G | 88 | Confident | 92.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -26.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | H609 M615 | H609-G611 VanDerWaalsContact C-N 3.29Å; H609-G611 PolarHBondContact ND1-N 3.33Å; H609-G611 VanDerWaalsContact ND1-N 3.16Å; H609-G611 PolarHBondContact O-N 3.48Å; H609-G611 VanDerWaalsContact O-N 3.16Å; G611-M615 WeakPolarHBondContact O-CB 3.38Å; G611-M615 VanDerWaalsContact O-CG 3.23Å; G611-M615 WeakPolarHBondContact O-CG 3.35Å; G611-M615 PolarHBondContact O-N 3.16Å; G611-M615 VanDerWaalsContact O-N 3.16Å |
| 612 | V | 92.9 | Very high | 92 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -77.3 | -41.3 | 176.6 | 173.8 | 0 | 0 | 0 | 0 | 110 | V464 A570 M577 F604 E607 H609 E610 M615 A616 | V464-V612 HydrophobicContact CG2-CG2 4.33Å; A570-V612 HydrophobicContact CB-CG2 3.77Å; M577-V612 HydrophobicContact CE-CG1 4.02Å; F604-V612 HydrophobicContact CB-CG1 3.99Å; F604-V612 HydrophobicContact CG-CG1 4.33Å; E607-V612 HydrophobicContact CB-CB 4.47Å; E607-V612 HydrophobicContact CB-CG1 4.01Å; E607-V612 HydrophobicContact CG-CB 4.35Å; E607-V612 HydrophobicContact CG-CG1 4.16Å; H609-V612 HydrophobicContact CB-CB 4.31Å; H609-V612 HydrophobicContact CB-CG2 3.99Å; H609-V612 PolarHBondContact ND1-N 2.99Å; H609-V612 WeakPolarHBondContact O-CB 3.35Å; H609-V612 PolarHBondContact O-N 3.5Å; E610-V612 PolarHBondContact O-N 3.41Å; V612-M615 PolarHBondContact O-N 3.28Å; V612-A616 WeakPolarHBondContact O-CB 3.41Å; V612-A616 PolarHBondContact O-N 3.22Å |
| 613 | Q | 92.7 | Very high | 92 | Very high | 20 Ų | 20 | 34.3 Ų | 34.3 | 9% | 0.093 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 176.3 | -63.6 | -178.1 | -49.4 | 0 | 0 | 111.8 | M605 E607 H609 E610 A616 C617 D656 L657 Q661 | M605-Q613 PolarHBondContact O-NE2 3.29Å; E607-Q613 WeakPolarHBondContact O-CG 3.01Å; E607-Q613 PolarHBondContact O-NE2 3.37Å; H609-Q613 PolarHBondContact O-N 2.84Å; E610-Q613 PolarHBondContact O-N 2.92Å; Q613-A616 WeakPolarHBondContact O-CB 3.35Å; Q613-A616 PolarHBondContact O-N 3.27Å; Q613-C617 PolarHBondContact O-N 3.23Å; Q613-C617 PolarHBondContact O-SG 3.38Å; Q613-D656 PolarHBondContact NE2-O 3.49Å; Q613-D656 VanDerWaalsContact NE2-O 3.09Å; Q613-L657 HydrophobicContact CB-CD2 4.44Å; Q613-Q661 VanDerWaalsContact CB-NE2 3.29Å |
| 614 | D | 91.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 9% | 0.086 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.2 | -47.8 | 176.2 | -74.3 | -28.5 | 0 | 0 | 0 | 111.4 | L463 R474 E610 A616 C617 D618 Q661 | L463-D614 HydrophobicContact CD1-CB 3.76Å; R474-D614 WeakPolarHBondContact CD-OD2 3.35Å; R474-D614 IonicContact CZ-OD2 3.34Å; R474-D614 IonicContact NE-OD2 2.76Å; R474-D614 PolarHBondContact NE-OD2 3.46Å; R474-D614 IonicContact NH1-OD2 3.49Å; R474-D614 PolarHBondContact NH1-OD2 3.23Å; R474-D614 VanDerWaalsContact NH1-OD2 3.1Å; R474-D614 IonicContact NH2-OD2 2.91Å; R474-D614 PolarHBondContact NH2-OD2 2.88Å; E610-D614 PolarHBondContact O-N 3.3Å; D614-A616 PolarHBondContact O-N 3.46Å; D614-C617 PolarHBondContact O-N 3.05Å; D614-D618 WeakPolarHBondContact O-CB 3.48Å; D614-D618 PolarHBondContact O-N 3.44Å; D614-Q661 WeakPolarHBondContact OD1-CG 3.36Å; D614-Q661 PolarHBondContact OD1-NE2 3.5Å |
| 615 | M | 93.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.3 | -35.2 | 175.4 | -76.3 | -173.2 | 70.7 | 0 | 0 | 112.2 | V462 L463 V464 S574 M577 G611 V612 T619 | V462-M615 HydrophobicContact CB-CE 4.4Å; V462-M615 HydrophobicContact CG2-CE 4.12Å; L463-M615 HydrophobicContact CB-CG 3.88Å; L463-M615 HydrophobicContact CB-SD 4.34Å; L463-M615 HydrophobicContact CD1-CG 4.13Å; L463-M615 HydrophobicContact CG-CG 3.95Å; L463-M615 PolarHBondContact N-SD 3.42Å; V464-M615 HydrophobicContact CB-SD 4.24Å; V464-M615 HydrophobicContact CG2-SD 3.74Å; S574-M615 VanDerWaalsContact CB-SD 3.55Å; S574-M615 WeakPolarHBondContact O-CE 3.35Å; M577-M615 HydrophobicContact CB-CE 4.46Å; M577-M615 HydrophobicContact CE-CB 3.57Å; M577-M615 HydrophobicContact CE-CE 4.49Å; M577-M615 HydrophobicContact SD-CB 4.07Å; G611-M615 WeakPolarHBondContact O-CB 3.38Å; G611-M615 VanDerWaalsContact O-CG 3.23Å; G611-M615 WeakPolarHBondContact O-CG 3.35Å; G611-M615 PolarHBondContact O-N 3.16Å; G611-M615 VanDerWaalsContact O-N 3.16Å; V612-M615 PolarHBondContact O-N 3.28Å; M615-T619 WeakPolarHBondContact O-CB 3.38Å; M615-T619 PolarHBondContact O-N 2.91Å; M615-T619 PolarHBondContact O-OG1 3.03Å |
| 616 | A | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.6 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M577 L601 F604 M605 V612 Q613 D614 F620 | M577-A616 VanDerWaalsContact SD-CA 3.6Å; M577-A616 HydrophobicContact SD-CB 3.91Å; L601-A616 HydrophobicContact CD2-CB 4.45Å; F604-A616 HydrophobicContact CB-CB 3.86Å; M605-A616 HydrophobicContact CG-CB 3.98Å; V612-A616 WeakPolarHBondContact O-CB 3.41Å; V612-A616 PolarHBondContact O-N 3.22Å; Q613-A616 WeakPolarHBondContact O-CB 3.35Å; Q613-A616 PolarHBondContact O-N 3.27Å; D614-A616 PolarHBondContact O-N 3.46Å; A616-F620 VanDerWaalsContact O-CB 3.22Å; A616-F620 WeakPolarHBondContact O-CB 3.46Å; A616-F620 PolarHBondContact O-N 3.1Å |
| 617 | C | 94.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 175.1 | -71.2 | 0 | 0 | 0 | 0 | 112.4 | Q613 D614 F620 I621 V664 | Q613-C617 PolarHBondContact O-N 3.23Å; Q613-C617 PolarHBondContact O-SG 3.38Å; D614-C617 PolarHBondContact O-N 3.05Å; C617-F620 WeakPolarHBondContact O-CB 3.2Å; C617-F620 PolarHBondContact O-N 2.96Å; C617-I621 WeakPolarHBondContact O-CG2 3.26Å; C617-I621 PolarHBondContact O-N 3.48Å; C617-V664 HydrophobicContact CB-CG1 4.15Å |
| 618 | D | 93.8 | Very high | 92.4 | Very high | 62 Ų | 62 | 27.8 Ų | 27.8 | 33% | 0.332 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66.1 | -38.1 | 178.7 | -77.9 | -4.2 | 0 | 0 | 0 | 112.2 | D614 I621 K622 | D614-D618 WeakPolarHBondContact O-CB 3.48Å; D614-D618 PolarHBondContact O-N 3.44Å; D618-I621 VanDerWaalsContact O-CG2 3.23Å; D618-I621 WeakPolarHBondContact O-CG2 3.33Å; D618-K622 WeakPolarHBondContact O-CB 3.39Å; D618-K622 WeakPolarHBondContact O-CD 3.42Å; D618-K622 VanDerWaalsContact O-CG 3.26Å; D618-K622 WeakPolarHBondContact O-CG 3.23Å; D618-K622 PolarHBondContact O-N 3.49Å |
| 619 | T | 94.5 | Very high | 92.8 | Very high | 12 Ų | 12 | 29.4 Ų | 29.4 | 7% | 0.074 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.1 | -40.1 | 173.7 | -56 | 0 | 0 | 0 | 0 | 110.5 | M577 V580 L601 M615 K622 I623 | M577-T619 HydrophobicContact CB-CG2 4.49Å; V580-T619 HydrophobicContact CG2-CG2 4.35Å; L601-T619 HydrophobicContact CD1-CG2 4Å; L601-T619 HydrophobicContact CD2-CG2 4Å; M615-T619 WeakPolarHBondContact O-CB 3.38Å; M615-T619 PolarHBondContact O-N 2.91Å; M615-T619 PolarHBondContact O-OG1 3.03Å; T619-K622 PolarHBondContact O-N 3.23Å; T619-I623 HydrophobicContact CG2-CD1 3.83Å; T619-I623 HydrophobicContact CG2-CG1 4.41Å; T619-I623 WeakPolarHBondContact O-CG1 3.38Å; T619-I623 PolarHBondContact O-N 2.98Å |
| 620 | F | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.2 | -50.5 | 178.6 | 178.6 | -122.7 | 0 | 0 | 0 | 111.9 | I598 L601 F602 M605 A616 C617 K622 I623 A624 F665 A668 V669 M672 | I598-F620 HydrophobicContact CD1-CD2 3.91Å; I598-F620 HydrophobicContact CD1-CE2 4.18Å; I598-F620 HydrophobicContact CG2-CD2 4.37Å; I598-F620 HydrophobicContact CG2-CE2 3.98Å; L601-F620 HydrophobicContact CD1-CB 4.11Å; F602-F620 HydrophobicContact CE1-CD2 4.05Å; F602-F620 HydrophobicContact CE1-CE1 4.3Å; F602-F620 AromaticContact CE1-CE2 3.72Å; F602-F620 HydrophobicContact CE1-CE2 3.72Å; F602-F620 HydrophobicContact CE1-CG 4.48Å; F602-F620 AromaticContact CE1-CZ 3.86Å; F602-F620 HydrophobicContact CE1-CZ 3.86Å; F602-F620 AromaticContact CZ-CE2 3.91Å; F602-F620 HydrophobicContact CZ-CE2 3.91Å; F602-F620 HydrophobicContact CZ-CZ 4.03Å; M605-F620 HydrophobicContact CE-CB 3.79Å; M605-F620 HydrophobicContact CE-CD1 4.07Å; M605-F620 HydrophobicContact CE-CG 4.01Å; A616-F620 VanDerWaalsContact O-CB 3.22Å; A616-F620 WeakPolarHBondContact O-CB 3.46Å; A616-F620 PolarHBondContact O-N 3.1Å; C617-F620 WeakPolarHBondContact O-CB 3.2Å; C617-F620 PolarHBondContact O-N 2.96Å; F620-K622 VanDerWaalsContact C-N 3.31Å; F620-K622 PolarHBondContact O-N 3.47Å; F620-I623 PolarHBondContact O-N 3.32Å; F620-A624 WeakPolarHBondContact O-CB 3.09Å; F620-A624 PolarHBondContact O-N 3.38Å; F620-F665 AromaticContact CD1-CD2 3.83Å; F620-F665 HydrophobicContact CD1-CD2 3.83Å; F620-F665 HydrophobicContact CD1-CE2 4.04Å; F620-F665 HydrophobicContact CD1-CG 4.48Å; F620-F665 HydrophobicContact CE1-CD1 4.48Å; F620-F665 AromaticContact CE1-CD2 3.64Å; F620-F665 HydrophobicContact CE1-CD2 3.64Å; F620-F665 HydrophobicContact CE1-CE1 4.4Å; F620-F665 AromaticContact CE1-CE2 3.55Å; F620-F665 HydrophobicContact CE1-CE2 3.55Å; F620-F665 HydrophobicContact CE1-CG 4.13Å; F620-F665 AromaticContact CE1-CZ 3.96Å; F620-F665 HydrophobicContact CE1-CZ 3.96Å; F620-F665 HydrophobicContact CZ-CE2 4.15Å; F620-F665 HydrophobicContact CZ-CZ 4.3Å; F620-A668 HydrophobicContact CD1-CB 3.56Å; F620-A668 HydrophobicContact CE1-CB 3.52Å; F620-A668 HydrophobicContact CG-CB 4.45Å; F620-A668 HydrophobicContact CZ-CB 4.38Å; F620-V669 HydrophobicContact CE1-CG2 4.33Å; F620-V669 HydrophobicContact CZ-CG2 4.42Å; F620-M672 HydrophobicContact CE1-CE 4.49Å; F620-M672 HydrophobicContact CE2-CE 3.6Å; F620-M672 HydrophobicContact CZ-CE 3.49Å; F620-M672 VanDerWaalsContact CZ-CE 3.49Å |
| 621 | I | 95.7 | Very high | 94.2 | Very high | 28 Ų | 28 | 23.8 Ų | 23.8 | 14% | 0.144 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62 | -37.6 | 178.4 | -171.2 | 169.6 | 0 | 0 | 0 | 112.2 | C617 D618 A624 H625 V664 E667 A668 F671 | C617-I621 WeakPolarHBondContact O-CG2 3.26Å; C617-I621 PolarHBondContact O-N 3.48Å; D618-I621 VanDerWaalsContact O-CG2 3.23Å; D618-I621 WeakPolarHBondContact O-CG2 3.33Å; I621-A624 PolarHBondContact O-N 3.35Å; I621-H625 WeakPolarHBondContact O-CB 3.34Å; I621-H625 PolarHBondContact O-N 2.84Å; I621-V664 HydrophobicContact CB-CG1 4.07Å; I621-V664 HydrophobicContact CD1-CG1 4.12Å; I621-V664 HydrophobicContact CG2-CG1 3.93Å; I621-E667 HydrophobicContact CD1-CB 3.92Å; I621-E667 HydrophobicContact CD1-CG 3.83Å; I621-A668 HydrophobicContact CB-CB 3.81Å; I621-A668 HydrophobicContact CG1-CB 3.98Å; I621-F671 HydrophobicContact CD1-CE2 4.22Å; I621-F671 HydrophobicContact CG1-CD2 4.25Å; I621-F671 HydrophobicContact CG1-CE2 4.13Å |
| 622 | K | 93.3 | Very high | 94.6 | Very high | 57 Ų | 57 | 24.3 Ų | 24.3 | 25% | 0.248 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.3 | -45.7 | 176.1 | -80.2 | 175.5 | 179.9 | -172.7 | 0 | 112.6 | E461 D618 T619 F620 K626 | E461-K622 IonicContact OE1-NZ 3.1Å; D618-K622 WeakPolarHBondContact O-CB 3.39Å; D618-K622 WeakPolarHBondContact O-CD 3.42Å; D618-K622 VanDerWaalsContact O-CG 3.26Å; D618-K622 WeakPolarHBondContact O-CG 3.23Å; D618-K622 PolarHBondContact O-N 3.49Å; T619-K622 PolarHBondContact O-N 3.23Å; F620-K622 VanDerWaalsContact C-N 3.31Å; F620-K622 PolarHBondContact O-N 3.47Å; K622-K626 PolarHBondContact O-N 2.7Å; K622-K626 VanDerWaalsContact O-N 3.15Å |
| 623 | I | 95.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.5 | -44.1 | 176.7 | -65.4 | 172.2 | 0 | 0 | 0 | 110.2 | L587 L594 V597 I598 L601 T619 F620 H625 K626 C627 F631 | L587-I623 HydrophobicContact CD1-CD1 3.8Å; L587-I623 HydrophobicContact CD1-CG1 3.93Å; L587-I623 HydrophobicContact CD1-CG2 4.09Å; L594-I623 HydrophobicContact CD1-CG2 3.48Å; L594-I623 VanDerWaalsContact CD1-CG2 3.48Å; V597-I623 HydrophobicContact CG1-CD1 3.94Å; I598-I623 HydrophobicContact CD1-CB 4.33Å; I598-I623 HydrophobicContact CD1-CD1 4.39Å; I598-I623 HydrophobicContact CD1-CG2 3.83Å; L601-I623 HydrophobicContact CD1-CD1 4.04Å; T619-I623 HydrophobicContact CG2-CD1 3.83Å; T619-I623 HydrophobicContact CG2-CG1 4.41Å; T619-I623 WeakPolarHBondContact O-CG1 3.38Å; T619-I623 PolarHBondContact O-N 2.98Å; F620-I623 PolarHBondContact O-N 3.32Å; I623-H625 VanDerWaalsContact C-N 3.34Å; I623-H625 PolarHBondContact O-N 3.31Å; I623-K626 PolarHBondContact O-N 2.7Å; I623-C627 HydrophobicContact CG2-CB 4.31Å; I623-C627 WeakPolarHBondContact O-CA 3.43Å; I623-C627 WeakPolarHBondContact O-CB 3.27Å; I623-C627 PolarHBondContact O-N 2.82Å; I623-F631 HydrophobicContact CG2-CZ 4.47Å |
| 624 | A | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57 | -47.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F620 I621 R628 A668 M672 | F620-A624 WeakPolarHBondContact O-CB 3.09Å; F620-A624 PolarHBondContact O-N 3.38Å; I621-A624 PolarHBondContact O-N 3.35Å; A624-R628 WeakPolarHBondContact O-CA 3.48Å; A624-R628 WeakPolarHBondContact O-CB 3.31Å; A624-R628 PolarHBondContact O-N 2.87Å; A624-A668 HydrophobicContact CB-CB 3.96Å; A624-A668 WeakPolarHBondContact CB-O 3.23Å; A624-M672 HydrophobicContact CB-CE 3.43Å; A624-M672 VanDerWaalsContact CB-CE 3.43Å; A624-M672 HydrophobicContact CB-CG 4.29Å |
| 625 | H | 93.5 | Very high | 94.9 | Very high | 62 Ų | 62 | 32 Ų | 32 | 29% | 0.287 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.9 | -49.8 | 176.4 | -178.6 | -127 | 0 | 0 | 0 | 112 | I621 I623 R628 F671 | I621-H625 WeakPolarHBondContact O-CB 3.34Å; I621-H625 PolarHBondContact O-N 2.84Å; I623-H625 VanDerWaalsContact C-N 3.34Å; I623-H625 PolarHBondContact O-N 3.31Å; H625-R628 WeakPolarHBondContact O-CD 3.4Å; H625-R628 WeakPolarHBondContact O-CG 3.19Å; H625-F671 HydrophobicContact CB-CD2 4.1Å; H625-F671 HydrophobicContact CB-CE2 4.39Å; H625-F671 HydrophobicContact CB-CG 4.29Å; H625-F671 AromaticContact CD2-CD1 3.58Å; H625-F671 AromaticContact CD2-CE1 3.59Å; H625-F671 AromaticContact CD2-CG 3.97Å; H625-F671 AromaticContact CD2-CZ 3.97Å |
| 626 | K | 92 | Very high | 94.8 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -79.3 | -17.9 | -175.5 | -66.5 | -63.9 | -177.7 | 179.1 | 0 | 115.5 | P584 R588 K622 I623 P1099 H1100 I1102 | P584-K626 HydrophobicContact CB-CB 3.7Å; P584-K626 HydrophobicContact CB-CG 4.29Å; P584-K626 HydrophobicContact CG-CB 4.33Å; P584-K626 HydrophobicContact CG-CG 4.4Å; R588-K626 PolarHBondContact NH1-O 2.9Å; K622-K626 PolarHBondContact O-N 2.7Å; K622-K626 VanDerWaalsContact O-N 3.15Å; I623-K626 PolarHBondContact O-N 2.7Å; K626-P1099 WeakPolarHBondContact CE-O 3.46Å; K626-P1099 PolarHBondContact NZ-O 3.43Å; K626-H1100 PolarHBondContact NZ-O 3.36Å; K626-I1102 PolarHBondContact NZ-O 3.48Å |
| 627 | C | 94.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -119.3 | 8.5 | -177.8 | -54.7 | 0 | 0 | 0 | 0 | 112.9 | R588 L594 I623 R629 H630 F631 | R588-C627 HydrophobicContact CG-CB 4.36Å; L594-C627 HydrophobicContact CD2-CB 4.12Å; I623-C627 HydrophobicContact CG2-CB 4.31Å; I623-C627 WeakPolarHBondContact O-CA 3.43Å; I623-C627 WeakPolarHBondContact O-CB 3.27Å; I623-C627 PolarHBondContact O-N 2.82Å; C627-R629 VanDerWaalsContact C-N 3.29Å; C627-R629 PolarHBondContact O-N 2.85Å; C627-H630 WeakPolarHBondContact O-CB 3.33Å; C627-H630 PolarHBondContact O-N 3.49Å; C627-H630 PolarHBondContact O-ND1 3.22Å; C627-F631 HydrophobicContact CB-CE2 3.95Å; C627-F631 WeakPolarHBondContact O-CD2 3.12Å |
| 628 | R | 95.1 | Very high | 94.7 | Very high | 57 Ų | 57 | 44.9 Ų | 44.9 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -41 | -46.2 | -172.8 | 51 | -171.6 | -179.4 | 157.1 | 2.5 | 115.8 | A624 H625 H630 F631 F671 A675 E1104 | A624-R628 WeakPolarHBondContact O-CA 3.48Å; A624-R628 WeakPolarHBondContact O-CB 3.31Å; A624-R628 PolarHBondContact O-N 2.87Å; H625-R628 WeakPolarHBondContact O-CD 3.4Å; H625-R628 WeakPolarHBondContact O-CG 3.19Å; R628-H630 PolarHBondContact O-N 3.17Å; R628-F631 PolarHBondContact O-N 2.93Å; R628-F631 VanDerWaalsContact O-N 3.16Å; R628-F671 VanDerWaalsContact CB-O 3.26Å; R628-F671 WeakPolarHBondContact CB-O 3.32Å; R628-F671 WeakPolarHBondContact CD-O 3.45Å; R628-A675 HydrophobicContact CB-CB 3.88Å; R628-A675 HydrophobicContact CG-CB 3.88Å; R628-E1104 IonicContact CZ-OE1 3.9Å; R628-E1104 IonicContact CZ-OE2 2.83Å; R628-E1104 IonicContact NE-OE1 2.72Å; R628-E1104 PolarHBondContact NE-OE1 3.34Å; R628-E1104 IonicContact NE-OE2 3.35Å; R628-E1104 PolarHBondContact NE-OE2 3.47Å; R628-E1104 VanDerWaalsContact NH2-CD 3.3Å; R628-E1104 IonicContact NH2-OE1 3.91Å; R628-E1104 PolarHBondContact NH2-OE1 2.91Å; R628-E1104 IonicContact NH2-OE2 3.81Å; R628-E1104 PolarHBondContact NH2-OE2 3.14Å |
| 629 | R | 95.2 | Very high | 94.7 | Very high | 129 Ų | 129 | 48.6 Ų | 48.6 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.6 | -32.2 | 179.3 | -66.8 | -177.2 | -178 | 159.3 | 3.3 | 113.1 | C627 F631 V632 I633 A675 D1108 | C627-R629 VanDerWaalsContact C-N 3.29Å; C627-R629 PolarHBondContact O-N 2.85Å; R629-F631 VanDerWaalsContact C-N 3.28Å; R629-F631 PolarHBondContact O-N 2.91Å; R629-V632 WeakPolarHBondContact O-CG2 3.34Å; R629-I633 WeakPolarHBondContact O-CG1 3.4Å; R629-A675 HydrophobicContact CG-CB 4.22Å; R629-D1108 IonicContact NH1-OD2 3.2Å; R629-D1108 PolarHBondContact NH1-OD2 3.25Å |
| 630 | H | 95.8 | Very high | 94.7 | Very high | 39 Ų | 39 | 51.9 Ų | 51.9 | 18% | 0.181 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73 | -21.4 | -176.3 | -63.5 | 72 | 0 | 0 | 0 | 112.9 | R588 W591 L594 C627 R628 Q635 | R588-H630 VanDerWaalsContact CG-CE1 3.49Å; R588-H630 WeakPolarHBondContact CG-CE1 3.41Å; R588-H630 PolarHBondContact O-NE2 2.88Å; W591-H630 HydrophobicContact CE3-CB 4.38Å; W591-H630 HydrophobicContact CZ3-CB 4.19Å; L594-H630 HydrophobicContact CD2-CB 4.09Å; C627-H630 WeakPolarHBondContact O-CB 3.33Å; C627-H630 PolarHBondContact O-N 3.49Å; C627-H630 PolarHBondContact O-ND1 3.22Å; R628-H630 PolarHBondContact O-N 3.17Å; H630-Q635 VanDerWaalsContact CA-NE2 3.34Å; H630-Q635 PolarHBondContact O-NE2 2.88Å |
| 631 | F | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -82.4 | -26.3 | -179.3 | -67.1 | -87 | 0 | 0 | 0 | 113.1 | L594 I598 I623 C627 R628 R629 F642 I643 I646 M672 | L594-F631 HydrophobicContact CD1-CZ 4.24Å; L594-F631 HydrophobicContact CD2-CZ 4.49Å; I598-F631 HydrophobicContact CD1-CE1 4.44Å; I598-F631 HydrophobicContact CD1-CZ 4.05Å; I598-F631 HydrophobicContact CG1-CE1 3.99Å; I598-F631 HydrophobicContact CG1-CZ 3.97Å; I623-F631 HydrophobicContact CG2-CZ 4.47Å; C627-F631 HydrophobicContact CB-CE2 3.95Å; C627-F631 WeakPolarHBondContact O-CD2 3.12Å; R628-F631 PolarHBondContact O-N 2.93Å; R628-F631 VanDerWaalsContact O-N 3.16Å; R629-F631 VanDerWaalsContact C-N 3.28Å; R629-F631 PolarHBondContact O-N 2.91Å; F631-F642 AromaticContact CD1-CD1 3.65Å; F631-F642 HydrophobicContact CD1-CD1 3.65Å; F631-F642 HydrophobicContact CD1-CE1 4.36Å; F631-F642 AromaticContact CE1-CD1 3.76Å; F631-F642 HydrophobicContact CE1-CD1 3.76Å; F631-F642 HydrophobicContact CE1-CE1 4.05Å; F631-F642 PolarHBondContact O-N 3.01Å; F631-I643 WeakPolarHBondContact O-CB 3.46Å; F631-I643 WeakPolarHBondContact O-CG2 3.24Å; F631-I643 PolarHBondContact O-N 3.1Å; F631-I646 HydrophobicContact CD1-CD1 4.04Å; F631-I646 HydrophobicContact CE1-CD1 4.3Å; F631-M672 HydrophobicContact CB-CB 4.14Å; F631-M672 HydrophobicContact CB-CG 4Å; F631-M672 HydrophobicContact CB-SD 3.72Å; F631-M672 HydrophobicContact CD1-CE 3.7Å; F631-M672 HydrophobicContact CD1-SD 3.64Å; F631-M672 HydrophobicContact CD2-CE 3.95Å; F631-M672 HydrophobicContact CD2-CG 3.99Å; F631-M672 HydrophobicContact CD2-SD 3.99Å; F631-M672 HydrophobicContact CE1-CE 3.64Å; F631-M672 HydrophobicContact CE1-SD 4.22Å; F631-M672 HydrophobicContact CE2-CE 3.88Å; F631-M672 HydrophobicContact CG-CE 3.87Å; F631-M672 HydrophobicContact CG-CG 3.98Å; F631-M672 HydrophobicContact CG-SD 3.51Å; F631-M672 VanDerWaalsContact CG-SD 3.51Å; F631-M672 HydrophobicContact CZ-CE 3.73Å |
| 632 | V | 96.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 52 Ų | 52 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -97.9 | -11.1 | -176.1 | -63.8 | 0 | 0 | 0 | 0 | 114.2 | R629 I643 M672 A675 Q676 | R629-V632 WeakPolarHBondContact O-CG2 3.34Å; V632-I643 HydrophobicContact CG1-CD1 4.23Å; V632-I643 HydrophobicContact CG1-CG2 4.35Å; V632-M672 WeakPolarHBondContact CG1-O 3.14Å; V632-A675 HydrophobicContact CG2-CB 4.19Å; V632-Q676 HydrophobicContact CG1-CB 4.41Å |
| 633 | I | 94.4 | Very high | 94.9 | Very high | 88 Ų | 88 | 49.3 Ų | 49.3 | 45% | 0.451 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -98.3 | 146.2 | 173.5 | 67.5 | 180 | 0 | 0 | 0 | 110.5 | R629 Q635 | R629-I633 WeakPolarHBondContact O-CG1 3.4Å; I633-Q635 HydrophobicContact CG1-CG 4.48Å; I633-Q635 VanDerWaalsContact CG1-NE2 3.3Å; I633-Q635 PolarHBondContact O-N 3.24Å |
| 634 | T | 95.5 | Very high | 95 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 117.9 | 171 | -49.3 | 0 | 0 | 0 | 0 | 109.6 | P641 | T634-P641 WeakPolarHBondContact OG1-CD 3.47Š|
| 635 | Q | 94.8 | Very high | 95 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 161 | -174.9 | -65.4 | -78.1 | -7.5 | 0 | 0 | 111.7 | W591 H630 I633 G637 E638 | W591-Q635 HydrophobicContact CD2-CB 3.62Å; W591-Q635 HydrophobicContact CD2-CG 3.35Å; W591-Q635 VanDerWaalsContact CE2-CG 3.49Å; W591-Q635 HydrophobicContact CE3-CB 4.34Å; W591-Q635 HydrophobicContact CE3-CG 3.55Å; W591-Q635 HydrophobicContact CG-CB 3.67Å; W591-Q635 HydrophobicContact CG-CG 3.84Å; W591-Q635 HydrophobicContact CH2-CG 3.99Å; W591-Q635 HydrophobicContact CZ2-CB 4.12Å; W591-Q635 HydrophobicContact CZ2-CG 3.82Å; W591-Q635 HydrophobicContact CZ3-CG 3.87Å; H630-Q635 VanDerWaalsContact CA-NE2 3.34Å; H630-Q635 PolarHBondContact O-NE2 2.88Å; I633-Q635 HydrophobicContact CG1-CG 4.48Å; I633-Q635 VanDerWaalsContact CG1-NE2 3.3Å; I633-Q635 PolarHBondContact O-N 3.24Å; Q635-G637 PolarHBondContact O-N 3.27Å; Q635-G637 VanDerWaalsContact O-N 3.09Å; Q635-E638 HydrophobicContact CB-CG 3.96Å; Q635-E638 PolarHBondContact O-N 3.48Å |
| 636 | V | 92.1 | Very high | 95.2 | Very high | 137 Ų | 137 | 50.6 Ų | 50.6 | 83% | 0.83 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 116.4 | -178.3 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 637 | G | 92.4 | Very high | 95.4 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 81% | 0.814 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | -2.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q635 | Q635-G637 PolarHBondContact O-N 3.27Å; Q635-G637 VanDerWaalsContact O-N 3.09Å |
| 638 | E | 95 | Very high | 95.5 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | trans | -98.1 | 155.5 | 173.4 | -53.4 | -66 | 163.4 | 0 | 0 | 110.6 | W591 K595 Q635 | W591-E638 HydrophobicContact CZ2-CG 4.3Å; W591-E638 PolarHBondContact NE1-OE1 3.13Å; K595-E638 WeakPolarHBondContact CD-OE1 3.35Å; K595-E638 IonicContact NZ-OE1 2.7Å; K595-E638 IonicContact NZ-OE2 3.42Å; K595-E638 PolarHBondContact NZ-OE2 3.32Å; Q635-E638 HydrophobicContact CB-CG 3.96Å; Q635-E638 PolarHBondContact O-N 3.48Å | ||
| 639 | T | 93.6 | Very high | 95.5 | Very high | 140 Ų | 140 | 56.4 Ų | 56.4 | 86% | 0.859 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -93.5 | -22.7 | 178.8 | 49 | 0 | 0 | 0 | 0 | 113.6 | ||
| 640 | E | 94.6 | Very high | 95.5 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -144.6 | 160.1 | -178.5 | 62.4 | -175.6 | 178 | 0 | 0 | 110.2 | D644 | E640-D644 HydrophobicContact CG-CB 4.37Š|
| 641 | P | 96.3 | Very high | 95.4 | Very high | 25 Ų | 25 | 50.8 Ų | 50.8 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | trans | -54.2 | 138.2 | 167 | -25 | 34.4 | 0 | 0 | 0 | 112.4 | T634 I643 D644 | T634-P641 WeakPolarHBondContact OG1-CD 3.47Å; P641-I643 HydrophobicContact CB-CG2 4.04Å; P641-I643 PolarHBondContact O-N 3.13Å; P641-D644 VanDerWaalsContact CD-OD2 3.24Å; P641-D644 WeakPolarHBondContact CD-OD2 3.22Å; P641-D644 WeakPolarHBondContact O-CB 3.47Å; P641-D644 PolarHBondContact O-N 3.22Å | ||
| 642 | F | 97.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 2% | 0.022 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67 | -23.6 | -175.7 | -174.6 | -138.1 | 0 | 0 | 0 | 113.6 | W591 K595 I598 F602 F631 D644 E645 I646 | W591-F642 HydrophobicContact CH2-CB 3.45Å; W591-F642 VanDerWaalsContact CH2-CB 3.45Å; W591-F642 AromaticContact CH2-CD1 3.74Å; W591-F642 HydrophobicContact CH2-CD1 3.74Å; W591-F642 AromaticContact CH2-CG 3.84Å; W591-F642 HydrophobicContact CH2-CG 3.84Å; W591-F642 HydrophobicContact CZ2-CB 3.79Å; W591-F642 HydrophobicContact CZ2-CD1 4.36Å; W591-F642 HydrophobicContact CZ2-CG 4.13Å; K595-F642 HydrophobicContact CD-CE2 4.46Å; K595-F642 HydrophobicContact CG-CE1 4.36Å; K595-F642 HydrophobicContact CG-CE2 4.2Å; K595-F642 HydrophobicContact CG-CZ 4.11Å; I598-F642 HydrophobicContact CB-CE1 3.96Å; I598-F642 HydrophobicContact CB-CZ 4.45Å; I598-F642 HydrophobicContact CG1-CE1 4.42Å; I598-F642 HydrophobicContact CG2-CE1 3.67Å; I598-F642 HydrophobicContact CG2-CZ 4.05Å; F602-F642 HydrophobicContact CE2-CZ 4.47Å; F631-F642 AromaticContact CD1-CD1 3.65Å; F631-F642 HydrophobicContact CD1-CD1 3.65Å; F631-F642 HydrophobicContact CD1-CE1 4.36Å; F631-F642 AromaticContact CE1-CD1 3.76Å; F631-F642 HydrophobicContact CE1-CD1 3.76Å; F631-F642 HydrophobicContact CE1-CE1 4.05Å; F631-F642 PolarHBondContact O-N 3.01Å; F642-D644 PolarHBondContact O-N 3.48Å; F642-E645 HydrophobicContact CD2-CB 3.83Å; F642-E645 HydrophobicContact CD2-CG 4.29Å; F642-E645 VanDerWaalsContact CD2-OE2 3.31Å; F642-E645 WeakPolarHBondContact CD2-OE2 3.33Å; F642-E645 HydrophobicContact CE2-CB 4.15Å; F642-E645 HydrophobicContact CE2-CG 4.16Å; F642-E645 WeakPolarHBondContact CE2-OE2 3.37Å; F642-E645 WeakPolarHBondContact O-CB 3.33Å; F642-E645 PolarHBondContact O-N 2.87Å; F642-E645 VanDerWaalsContact O-N 3.16Å; F642-I646 HydrophobicContact CD1-CD1 4.01Å; F642-I646 HydrophobicContact CD1-CG1 4.47Å; F642-I646 HydrophobicContact CE1-CD1 3.99Å; F642-I646 HydrophobicContact CE1-CG1 4.29Å; F642-I646 HydrophobicContact CE2-CG1 4.42Å; F642-I646 HydrophobicContact CG-CD1 4.49Å; F642-I646 HydrophobicContact CZ-CD1 4.44Å; F642-I646 HydrophobicContact CZ-CG1 4.25Å; F642-I646 WeakPolarHBondContact O-CG1 3.47Å; F642-I646 PolarHBondContact O-N 3.3Å |
| 643 | I | 97.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.2 | -32.2 | 171.3 | -166.6 | 170.5 | 0 | 0 | 0 | 112 | F631 V632 P641 I646 L647 V669 M672 I673 L685 | F631-I643 WeakPolarHBondContact O-CB 3.46Å; F631-I643 WeakPolarHBondContact O-CG2 3.24Å; F631-I643 PolarHBondContact O-N 3.1Å; V632-I643 HydrophobicContact CG1-CD1 4.23Å; V632-I643 HydrophobicContact CG1-CG2 4.35Å; P641-I643 HydrophobicContact CB-CG2 4.04Å; P641-I643 PolarHBondContact O-N 3.13Å; I643-I646 PolarHBondContact O-N 3.28Å; I643-L647 HydrophobicContact CG1-CD1 4.1Å; I643-L647 HydrophobicContact CG1-CG 4.24Å; I643-L647 WeakPolarHBondContact O-CB 3.36Å; I643-L647 VanDerWaalsContact O-CG 3.26Å; I643-L647 WeakPolarHBondContact O-CG 3.43Å; I643-L647 PolarHBondContact O-N 3.07Å; I643-V669 HydrophobicContact CD1-CG1 4.35Å; I643-V669 HydrophobicContact CG1-CG1 4.48Å; I643-M672 HydrophobicContact CD1-CB 3.82Å; I643-I673 HydrophobicContact CD1-CG1 3.63Å; I643-L685 HydrophobicContact CD1-CD1 4.34Å; I643-L685 HydrophobicContact CD1-CD2 4.41Å; I643-L685 HydrophobicContact CG2-CD2 4.09Å |
| 644 | D | 96.9 | Very high | 95.3 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 16% | 0.155 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67 | -41.4 | 178.2 | -63.5 | -48.6 | 0 | 0 | 0 | 111.4 | E640 P641 F642 L647 N648 R688 | E640-D644 HydrophobicContact CG-CB 4.37Å; P641-D644 VanDerWaalsContact CD-OD2 3.24Å; P641-D644 WeakPolarHBondContact CD-OD2 3.22Å; P641-D644 WeakPolarHBondContact O-CB 3.47Å; P641-D644 PolarHBondContact O-N 3.22Å; F642-D644 PolarHBondContact O-N 3.48Å; D644-L647 PolarHBondContact O-N 2.95Å; D644-N648 WeakPolarHBondContact O-CB 3.35Å; D644-N648 PolarHBondContact O-N 2.82Å; D644-N648 PolarHBondContact O-ND2 2.94Å; D644-N648 VanDerWaalsContact O-ND2 3.14Å; D644-N648 PolarHBondContact O-OD1 2.87Å; D644-R688 PolarHBondContact O-NH2 2.88Å; D644-R688 IonicContact OD1-CZ 3.69Å; D644-R688 IonicContact OD1-NH1 3Å; D644-R688 PolarHBondContact OD1-NH1 3.46Å; D644-R688 IonicContact OD1-NH2 3.96Å |
| 645 | E | 96.5 | Very high | 95.2 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 174.3 | -169.5 | 179 | 162.9 | 0 | 0 | 111.3 | K595 F642 N649 | K595-E645 VanDerWaalsContact CE-OE2 3.29Å; K595-E645 WeakPolarHBondContact CE-OE2 3.44Å; K595-E645 IonicContact NZ-OE2 3.57Å; K595-E645 PolarHBondContact NZ-OE2 2.94Å; F642-E645 HydrophobicContact CD2-CB 3.83Å; F642-E645 HydrophobicContact CD2-CG 4.29Å; F642-E645 VanDerWaalsContact CD2-OE2 3.31Å; F642-E645 WeakPolarHBondContact CD2-OE2 3.33Å; F642-E645 HydrophobicContact CE2-CB 4.15Å; F642-E645 HydrophobicContact CE2-CG 4.16Å; F642-E645 WeakPolarHBondContact CE2-OE2 3.37Å; F642-E645 WeakPolarHBondContact O-CB 3.33Å; F642-E645 PolarHBondContact O-N 2.87Å; F642-E645 VanDerWaalsContact O-N 3.16Å; E645-N649 PolarHBondContact O-N 3.17Å; E645-N649 PolarHBondContact O-ND2 3.49Å |
| 646 | I | 96.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 177.1 | -65 | 170.6 | 0 | 0 | 0 | 110.6 | F602 F631 F642 I643 N648 N649 L650 F665 V669 M672 | F602-I646 HydrophobicContact CE2-CG1 4.09Å; F602-I646 HydrophobicContact CZ-CD1 4.21Å; F602-I646 HydrophobicContact CZ-CG1 4.04Å; F602-I646 HydrophobicContact CZ-CG2 4.43Å; F631-I646 HydrophobicContact CD1-CD1 4.04Å; F631-I646 HydrophobicContact CE1-CD1 4.3Å; F642-I646 HydrophobicContact CD1-CD1 4.01Å; F642-I646 HydrophobicContact CD1-CG1 4.47Å; F642-I646 HydrophobicContact CE1-CD1 3.99Å; F642-I646 HydrophobicContact CE1-CG1 4.29Å; F642-I646 HydrophobicContact CE2-CG1 4.42Å; F642-I646 HydrophobicContact CG-CD1 4.49Å; F642-I646 HydrophobicContact CZ-CD1 4.44Å; F642-I646 HydrophobicContact CZ-CG1 4.25Å; F642-I646 WeakPolarHBondContact O-CG1 3.47Å; F642-I646 PolarHBondContact O-N 3.3Å; I643-I646 PolarHBondContact O-N 3.28Å; I646-N648 VanDerWaalsContact C-N 3.35Å; I646-N648 PolarHBondContact O-N 2.88Å; I646-N649 CarbonylContact O-C 3.28Å; I646-N649 PolarHBondContact O-N 3.42Å; I646-L650 PolarHBondContact O-N 3.22Å; I646-F665 HydrophobicContact CG2-CE1 4.32Å; I646-F665 HydrophobicContact CG2-CZ 4.03Å; I646-V669 HydrophobicContact CG2-CG2 4.24Å; I646-M672 HydrophobicContact CD1-CE 4.3Å; I646-M672 HydrophobicContact CD1-SD 4.12Å |
| 647 | L | 97.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.5 | -34.6 | -178.4 | -68.6 | 176.2 | 0 | 0 | 0 | 112.3 | I643 D644 N649 L650 V669 L685 R688 L689 | I643-L647 HydrophobicContact CG1-CD1 4.1Å; I643-L647 HydrophobicContact CG1-CG 4.24Å; I643-L647 WeakPolarHBondContact O-CB 3.36Å; I643-L647 VanDerWaalsContact O-CG 3.26Å; I643-L647 WeakPolarHBondContact O-CG 3.43Å; I643-L647 PolarHBondContact O-N 3.07Å; D644-L647 PolarHBondContact O-N 2.95Å; L647-N649 VanDerWaalsContact C-N 3.29Å; L647-N649 PolarHBondContact O-N 3.22Å; L647-L650 WeakPolarHBondContact O-CB 3.35Å; L647-L650 PolarHBondContact O-N 2.78Å; L647-V669 HydrophobicContact CD2-CG1 4.09Å; L647-L685 HydrophobicContact CD1-CD2 3.67Å; L647-R688 HydrophobicContact CD1-CB 3.99Å; L647-L689 HydrophobicContact CD2-CB 3.92Å; L647-L689 HydrophobicContact CD2-CD1 3.95Å |
| 648 | N | 95.9 | Very high | 95.3 | Very high | 102 Ų | 102 | 47.3 Ų | 47.3 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.9 | -30.1 | 176 | -68.8 | -17.6 | 0 | 0 | 0 | 112.5 | D644 I646 R688 | D644-N648 WeakPolarHBondContact O-CB 3.35Å; D644-N648 PolarHBondContact O-N 2.82Å; D644-N648 PolarHBondContact O-ND2 2.94Å; D644-N648 VanDerWaalsContact O-ND2 3.14Å; D644-N648 PolarHBondContact O-OD1 2.87Å; I646-N648 VanDerWaalsContact C-N 3.35Å; I646-N648 PolarHBondContact O-N 2.88Å; N648-R688 PolarHBondContact OD1-NH2 2.87Å |
| 649 | N | 95.5 | Very high | 95.1 | Very high | 75 Ų | 75 | 48.3 Ų | 48.3 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 20.4 | 179.2 | -62.7 | -61.4 | 0 | 0 | 0 | 112.9 | E645 I646 L647 G651 T652 T653 | E645-N649 PolarHBondContact O-N 3.17Å; E645-N649 PolarHBondContact O-ND2 3.49Å; I646-N649 CarbonylContact O-C 3.28Å; I646-N649 PolarHBondContact O-N 3.42Å; L647-N649 VanDerWaalsContact C-N 3.29Å; L647-N649 PolarHBondContact O-N 3.22Å; N649-G651 PolarHBondContact O-N 3.03Å; N649-T652 PolarHBondContact O-N 2.7Å; N649-T652 PolarHBondContact O-OG1 3.35Å; N649-T653 PolarHBondContact O-N 2.89Å; N649-T653 PolarHBondContact O-OG1 3.47Å |
| 650 | L | 94.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.5 | -48.5 | -174.9 | -175.2 | 64.9 | 0 | 0 | 0 | 111.6 | I646 L647 T652 T653 L654 F665 L689 L692 | I646-L650 PolarHBondContact O-N 3.22Å; L647-L650 WeakPolarHBondContact O-CB 3.35Å; L647-L650 PolarHBondContact O-N 2.78Å; L650-T652 PolarHBondContact O-N 2.73Å; L650-T653 PolarHBondContact O-N 3.29Å; L650-L654 HydrophobicContact CD1-CD1 3.74Å; L650-L654 HydrophobicContact CD1-CG 4.14Å; L650-L654 HydrophobicContact CG-CD1 3.86Å; L650-L654 HydrophobicContact CG-CG 4.49Å; L650-L654 VanDerWaalsContact O-CG 3.28Å; L650-L654 WeakPolarHBondContact O-CG 3.07Å; L650-L654 PolarHBondContact O-N 2.93Å; L650-L654 VanDerWaalsContact O-N 3.1Å; L650-F665 HydrophobicContact CD1-CD1 4.11Å; L650-F665 HydrophobicContact CD1-CE1 3.54Å; L650-F665 HydrophobicContact CD1-CZ 4.45Å; L650-L689 HydrophobicContact CD2-CD1 4.44Å; L650-L692 HydrophobicContact CD2-CD1 4Å; L650-L692 HydrophobicContact CD2-CG 4.43Å; L650-L692 HydrophobicContact CG-CD1 4.07Å |
| 651 | G | 94 | Very high | 95 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 44% | 0.443 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.7 | -36.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N649 | N649-G651 PolarHBondContact O-N 3.03Å |
| 652 | T | 95.4 | Very high | 95.1 | Very high | 87 Ų | 87 | 41.7 Ų | 41.7 | 53% | 0.534 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -73.4 | -36.2 | 177.1 | 49.6 | 0 | 0 | 0 | 0 | 111.7 | H606 N649 L650 C655 | H606-T652 PolarHBondContact CE1-O 3.21Å; N649-T652 PolarHBondContact O-N 2.7Å; N649-T652 PolarHBondContact O-OG1 3.35Å; L650-T652 PolarHBondContact O-N 2.73Å; T652-C655 PolarHBondContact O-SG 3.1Å |
| 653 | T | 94.3 | Very high | 95 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.7 | -34.9 | -179.5 | -51 | 0 | 0 | 0 | 0 | 111.8 | F602 M605 N649 L650 F665 | F602-T653 HydrophobicContact CB-CG2 4.25Å; F602-T653 HydrophobicContact CD1-CG2 3.73Å; F602-T653 HydrophobicContact CD2-CG2 4.45Å; F602-T653 HydrophobicContact CE1-CG2 4.15Å; F602-T653 HydrophobicContact CG-CG2 3.9Å; M605-T653 HydrophobicContact SD-CG2 4.16Å; N649-T653 PolarHBondContact O-N 2.89Å; N649-T653 PolarHBondContact O-OG1 3.47Å; L650-T653 PolarHBondContact O-N 3.29Å; T653-F665 HydrophobicContact CG2-CE2 3.56Å; T653-F665 HydrophobicContact CG2-CZ 3.82Å |
| 654 | L | 94.7 | Very high | 95 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -8.5 | -175.3 | -63.8 | 179.5 | 0 | 0 | 0 | 114.7 | L650 D656 L657 V662 F665 Y666 | L650-L654 HydrophobicContact CD1-CD1 3.74Å; L650-L654 HydrophobicContact CD1-CG 4.14Å; L650-L654 HydrophobicContact CG-CD1 3.86Å; L650-L654 HydrophobicContact CG-CG 4.49Å; L650-L654 VanDerWaalsContact O-CG 3.28Å; L650-L654 WeakPolarHBondContact O-CG 3.07Å; L650-L654 PolarHBondContact O-N 2.93Å; L650-L654 VanDerWaalsContact O-N 3.1Å; L654-D656 VanDerWaalsContact C-N 3.34Å; L654-D656 PolarHBondContact O-N 2.93Å; L654-L657 HydrophobicContact CD2-CD1 3.95Å; L654-L657 PolarHBondContact O-N 2.96Å; L654-V662 HydrophobicContact CD1-CG1 4.27Å; L654-V662 HydrophobicContact CD2-CG1 4.46Å; L654-V662 HydrophobicContact CD2-CG2 4.35Å; L654-F665 HydrophobicContact CD2-CB 3.84Å; L654-F665 HydrophobicContact CD2-CD1 3.67Å; L654-F665 HydrophobicContact CD2-CD2 4.05Å; L654-F665 HydrophobicContact CD2-CE1 4.2Å; L654-F665 HydrophobicContact CD2-CG 3.58Å; L654-Y666 HydrophobicContact CD1-CE2 3.84Å |
| 655 | C | 93.6 | Very high | 95 | Very high | 82 Ų | 82 | 42.9 Ų | 42.9 | 55% | 0.554 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -29.9 | -161.8 | 68.7 | 0 | 0 | 0 | 0 | 115.5 | T652 | T652-C655 PolarHBondContact O-SG 3.1Š|
| 656 | D | 94.5 | Very high | 95.1 | Very high | 86 Ų | 86 | 40.3 Ų | 40.3 | 46% | 0.46 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 1 | -178 | -61.4 | -30.3 | 0 | 0 | 0 | 113 | H606 Q613 L654 | H606-D656 IonicContact CE1-OD2 3.92Å; H606-D656 IonicContact CG-OD2 3.71Å; H606-D656 IonicContact ND1-OD2 3.41Å; H606-D656 PolarHBondContact ND1-OD2 3.3Å; Q613-D656 PolarHBondContact NE2-O 3.49Å; Q613-D656 VanDerWaalsContact NE2-O 3.09Å; L654-D656 VanDerWaalsContact C-N 3.34Å; L654-D656 PolarHBondContact O-N 2.93Å |
| 657 | L | 93.8 | Very high | 95.1 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | trans | -83.9 | 142.5 | -178.9 | -66.9 | -176.6 | 0 | 0 | 0 | 111.7 | M605 Q613 L654 Q661 V662 | M605-L657 HydrophobicContact CB-CD1 4.48Å; M605-L657 HydrophobicContact CB-CD2 3.76Å; M605-L657 HydrophobicContact CB-CG 4.32Å; M605-L657 HydrophobicContact CG-CD1 4.39Å; M605-L657 HydrophobicContact CG-CD2 4.01Å; M605-L657 HydrophobicContact SD-CD1 4.11Å; Q613-L657 HydrophobicContact CB-CD2 4.44Å; L654-L657 HydrophobicContact CD2-CD1 3.95Å; L654-L657 PolarHBondContact O-N 2.96Å; L657-Q661 HydrophobicContact CB-CB 4.02Å; L657-Q661 HydrophobicContact CD1-CB 4.39Å; L657-Q661 HydrophobicContact CD2-CB 4.09Å; L657-Q661 HydrophobicContact CG-CB 4.41Å; L657-V662 HydrophobicContact CB-CG2 3.89Å | ||
| 658 | S | 92.8 | Very high | 95.2 | Very high | 55 Ų | 55 | 41 Ų | 41 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | trans | -66.4 | 159.5 | 168.5 | 69.8 | 0 | 0 | 0 | 0 | 111.5 | S660 Q661 V662 | S658-S660 PolarHBondContact O-N 3.06Å; S658-S660 VanDerWaalsContact O-N 3.15Å; S658-Q661 PolarHBondContact O-N 3.18Å; S658-Q661 WeakPolarHBondContact OG-CG 3.41Å; S658-Q661 PolarHBondContact OG-N 3.15Å; S658-Q661 PolarHBondContact OG-OE1 3.06Å; S658-V662 WeakPolarHBondContact O-CG2 3.35Å; S658-V662 PolarHBondContact O-N 3.41Å | ||
| 659 | T | 92.1 | Very high | 95.3 | Very high | 76 Ų | 76 | 36.1 Ų | 36.1 | 47% | 0.466 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.8 | -35.2 | -179.8 | 54.6 | 0 | 0 | 0 | 0 | 113 | H663 | T659-H663 PolarHBondContact O-CD2 3.29Å; T659-H663 VanDerWaalsContact O-CD2 3.3Å; T659-H663 PolarHBondContact O-CE1 3.37Å; T659-H663 PolarHBondContact O-N 3.34Å; T659-H663 PolarHBondContact O-ND1 3.42Å; T659-H663 VanDerWaalsContact O-ND1 3.17Å; T659-H663 PolarHBondContact O-NE2 3.45Å |
| 660 | S | 92.3 | Very high | 95.3 | Very high | 79 Ų | 79 | 32.6 Ų | 32.6 | 55% | 0.552 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -66.4 | -44.9 | 176.8 | -166.6 | 0 | 0 | 0 | 0 | 112.2 | S658 V662 H663 V664 | S658-S660 PolarHBondContact O-N 3.06Å; S658-S660 VanDerWaalsContact O-N 3.15Å; S660-V662 VanDerWaalsContact C-N 3.33Å; S660-H663 PolarHBondContact O-N 3.01Å; S660-V664 PolarHBondContact O-N 3.47Å |
| 661 | Q | 94.5 | Very high | 95.4 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.7 | -37.5 | 178.1 | -72.4 | 160.4 | -21.8 | 0 | 0 | 111.5 | Q613 D614 L657 S658 H663 V664 F665 | Q613-Q661 VanDerWaalsContact CB-NE2 3.29Å; D614-Q661 WeakPolarHBondContact OD1-CG 3.36Å; D614-Q661 PolarHBondContact OD1-NE2 3.5Å; L657-Q661 HydrophobicContact CB-CB 4.02Å; L657-Q661 HydrophobicContact CD1-CB 4.39Å; L657-Q661 HydrophobicContact CD2-CB 4.09Å; L657-Q661 HydrophobicContact CG-CB 4.41Å; S658-Q661 PolarHBondContact O-N 3.18Å; S658-Q661 WeakPolarHBondContact OG-CG 3.41Å; S658-Q661 PolarHBondContact OG-N 3.15Å; S658-Q661 PolarHBondContact OG-OE1 3.06Å; Q661-H663 VanDerWaalsContact C-N 3.33Å; Q661-H663 PolarHBondContact O-N 3.5Å; Q661-V664 PolarHBondContact O-N 2.85Å; Q661-F665 PolarHBondContact O-N 3.43Å |
| 662 | V | 96.5 | Very high | 95.6 | Very high | 24 Ų | 24 | 32 Ų | 32 | 15% | 0.145 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.2 | -47.9 | 172.5 | 173 | 0 | 0 | 0 | 0 | 110.2 | L654 L657 S658 S660 V664 F665 Y666 | L654-V662 HydrophobicContact CD1-CG1 4.27Å; L654-V662 HydrophobicContact CD2-CG1 4.46Å; L654-V662 HydrophobicContact CD2-CG2 4.35Å; L657-V662 HydrophobicContact CB-CG2 3.89Å; S658-V662 WeakPolarHBondContact O-CG2 3.35Å; S658-V662 PolarHBondContact O-N 3.41Å; S660-V662 VanDerWaalsContact C-N 3.33Å; V662-V664 VanDerWaalsContact C-N 3.33Å; V662-V664 PolarHBondContact O-N 3.41Å; V662-F665 WeakPolarHBondContact O-CB 3.27Å; V662-F665 PolarHBondContact O-N 3.43Å; V662-F665 VanDerWaalsContact O-N 3.09Å; V662-Y666 HydrophobicContact CG1-CD2 3.71Å; V662-Y666 HydrophobicContact CG1-CE2 3.52Å; V662-Y666 VanDerWaalsContact O-CD2 3.28Å; V662-Y666 WeakPolarHBondContact O-CD2 3.45Å; V662-Y666 PolarHBondContact O-N 2.96Å |
| 663 | H | 96.5 | Very high | 95.7 | Very high | 27 Ų | 27 | 27.9 Ų | 27.9 | 13% | 0.125 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.8 | -41.5 | 178.3 | -53.8 | 148.7 | 0 | 0 | 0 | 112.6 | T659 S660 Q661 F665 Y666 E667 N722 K725 S726 A729 | T659-H663 PolarHBondContact O-CD2 3.29Å; T659-H663 VanDerWaalsContact O-CD2 3.3Å; T659-H663 PolarHBondContact O-CE1 3.37Å; T659-H663 PolarHBondContact O-N 3.34Å; T659-H663 PolarHBondContact O-ND1 3.42Å; T659-H663 VanDerWaalsContact O-ND1 3.17Å; T659-H663 PolarHBondContact O-NE2 3.45Å; S660-H663 PolarHBondContact O-N 3.01Å; Q661-H663 VanDerWaalsContact C-N 3.33Å; Q661-H663 PolarHBondContact O-N 3.5Å; H663-F665 VanDerWaalsContact C-N 3.29Å; H663-F665 PolarHBondContact O-N 2.99Å; H663-Y666 PolarHBondContact O-N 3.01Å; H663-E667 PolarHBondContact O-N 3.18Å; H663-N722 PolarHBondContact NE2-O 3.23Å; H663-K725 WeakPolarHBondContact CE1-CB 3.42Å; H663-K725 WeakPolarHBondContact NE2-CB 3.49Å; H663-S726 PolarHBondContact CD2-OG 3.3Å; H663-S726 VanDerWaalsContact CD2-OG 3.25Å; H663-A729 HydrophobicContact CB-CB 4.2Å; H663-A729 WeakPolarHBondContact O-CB 3.26Å |
| 664 | V | 96.3 | Very high | 95.8 | Very high | 32 Ų | 32 | 29 Ų | 29 | 19% | 0.194 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 175.3 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | C617 I621 S660 Q661 V662 E667 A668 | C617-V664 HydrophobicContact CB-CG1 4.15Å; I621-V664 HydrophobicContact CB-CG1 4.07Å; I621-V664 HydrophobicContact CD1-CG1 4.12Å; I621-V664 HydrophobicContact CG2-CG1 3.93Å; S660-V664 PolarHBondContact O-N 3.47Å; Q661-V664 PolarHBondContact O-N 2.85Å; V662-V664 VanDerWaalsContact C-N 3.33Å; V662-V664 PolarHBondContact O-N 3.41Å; V664-E667 PolarHBondContact O-N 2.76Å; V664-A668 WeakPolarHBondContact O-CB 3.32Å; V664-A668 PolarHBondContact O-N 2.99Å |
| 665 | F | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 175.4 | -168.3 | -79.1 | 0 | 0 | 0 | 112.2 | F602 M605 F620 I646 L650 T653 L654 Q661 V662 H663 E667 A668 V669 | F602-F665 HydrophobicContact CD1-CE2 4.21Å; F602-F665 AromaticContact CE1-CE2 3.65Å; F602-F665 HydrophobicContact CE1-CE2 3.65Å; F602-F665 HydrophobicContact CE1-CZ 4.12Å; F602-F665 HydrophobicContact CZ-CE2 4.37Å; F602-F665 HydrophobicContact CZ-CZ 4.4Å; M605-F665 HydrophobicContact CE-CD2 4.05Å; M605-F665 HydrophobicContact CE-CE2 4.25Å; M605-F665 HydrophobicContact SD-CD2 4.01Å; M605-F665 HydrophobicContact SD-CE2 4.04Å; F620-F665 AromaticContact CD1-CD2 3.83Å; F620-F665 HydrophobicContact CD1-CD2 3.83Å; F620-F665 HydrophobicContact CD1-CE2 4.04Å; F620-F665 HydrophobicContact CD1-CG 4.48Å; F620-F665 HydrophobicContact CE1-CD1 4.48Å; F620-F665 AromaticContact CE1-CD2 3.64Å; F620-F665 HydrophobicContact CE1-CD2 3.64Å; F620-F665 HydrophobicContact CE1-CE1 4.4Å; F620-F665 AromaticContact CE1-CE2 3.55Å; F620-F665 HydrophobicContact CE1-CE2 3.55Å; F620-F665 HydrophobicContact CE1-CG 4.13Å; F620-F665 AromaticContact CE1-CZ 3.96Å; F620-F665 HydrophobicContact CE1-CZ 3.96Å; F620-F665 HydrophobicContact CZ-CE2 4.15Å; F620-F665 HydrophobicContact CZ-CZ 4.3Å; I646-F665 HydrophobicContact CG2-CE1 4.32Å; I646-F665 HydrophobicContact CG2-CZ 4.03Å; L650-F665 HydrophobicContact CD1-CD1 4.11Å; L650-F665 HydrophobicContact CD1-CE1 3.54Å; L650-F665 HydrophobicContact CD1-CZ 4.45Å; T653-F665 HydrophobicContact CG2-CE2 3.56Å; T653-F665 HydrophobicContact CG2-CZ 3.82Å; L654-F665 HydrophobicContact CD2-CB 3.84Å; L654-F665 HydrophobicContact CD2-CD1 3.67Å; L654-F665 HydrophobicContact CD2-CD2 4.05Å; L654-F665 HydrophobicContact CD2-CE1 4.2Å; L654-F665 HydrophobicContact CD2-CG 3.58Å; Q661-F665 PolarHBondContact O-N 3.43Å; V662-F665 WeakPolarHBondContact O-CB 3.27Å; V662-F665 PolarHBondContact O-N 3.43Å; V662-F665 VanDerWaalsContact O-N 3.09Å; H663-F665 VanDerWaalsContact C-N 3.29Å; H663-F665 PolarHBondContact O-N 2.99Å; F665-E667 VanDerWaalsContact C-N 3.33Å; F665-E667 PolarHBondContact O-N 3.5Å; F665-A668 WeakPolarHBondContact O-CB 3.41Å; F665-A668 PolarHBondContact O-N 3.26Å; F665-V669 HydrophobicContact CD1-CG2 3.88Å; F665-V669 HydrophobicContact CE1-CG2 3.54Å; F665-V669 HydrophobicContact CZ-CG2 4.28Å; F665-V669 WeakPolarHBondContact O-CG2 3.4Å; F665-V669 PolarHBondContact O-N 3.28Å |
| 666 | Y | 97.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 27 Ų | 27 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 175.5 | -85 | -89.4 | 0 | 0 | 0 | 112 | L654 V662 H663 G670 L689 M690 P693 | L654-Y666 HydrophobicContact CD1-CE2 3.84Å; V662-Y666 HydrophobicContact CG1-CD2 3.71Å; V662-Y666 HydrophobicContact CG1-CE2 3.52Å; V662-Y666 VanDerWaalsContact O-CD2 3.28Å; V662-Y666 WeakPolarHBondContact O-CD2 3.45Å; V662-Y666 PolarHBondContact O-N 2.96Å; H663-Y666 PolarHBondContact O-N 3.01Å; Y666-G670 PolarHBondContact O-N 2.97Å; Y666-L689 HydrophobicContact CD1-CD1 3.62Å; Y666-L689 HydrophobicContact CD1-CD2 4.26Å; Y666-L689 HydrophobicContact CD1-CG 3.81Å; Y666-L689 HydrophobicContact CE1-CD1 3.74Å; Y666-L689 HydrophobicContact CE1-CG 3.99Å; Y666-L689 WeakPolarHBondContact CE1-O 3.39Å; Y666-M690 HydrophobicContact CD1-SD 4.23Å; Y666-M690 HydrophobicContact CE1-SD 4.24Å; Y666-P693 HydrophobicContact CE1-CG 3.95Å; Y666-P693 WeakPolarHBondContact OH-CD 3.46Å; Y666-P693 WeakPolarHBondContact OH-CG 3.44Å |
| 667 | E | 97.9 | Very high | 95.8 | Very high | 30 Ų | 30 | 31.8 Ų | 31.8 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 174.3 | -168 | 173.1 | 173.1 | 0 | 0 | 111.7 | I621 H663 V664 F665 G670 F671 A729 K732 S733 | I621-E667 HydrophobicContact CD1-CB 3.92Å; I621-E667 HydrophobicContact CD1-CG 3.83Å; H663-E667 PolarHBondContact O-N 3.18Å; V664-E667 PolarHBondContact O-N 2.76Å; F665-E667 VanDerWaalsContact C-N 3.33Å; F665-E667 PolarHBondContact O-N 3.5Å; E667-G670 PolarHBondContact O-N 2.87Å; E667-F671 HydrophobicContact CG-CE2 4Å; E667-F671 VanDerWaalsContact O-CD2 3.29Å; E667-F671 WeakPolarHBondContact O-CD2 3.36Å; E667-F671 PolarHBondContact O-N 3.2Å; E667-F671 VanDerWaalsContact O-N 3.15Å; E667-A729 HydrophobicContact CB-CB 4.17Å; E667-K732 WeakPolarHBondContact OE1-CD 3.34Å; E667-K732 WeakPolarHBondContact OE1-CE 3.45Å; E667-K732 IonicContact OE1-NZ 2.69Å; E667-K732 PolarHBondContact OE1-NZ 3.22Å; E667-K732 IonicContact OE2-NZ 2.89Å; E667-S733 WeakPolarHBondContact O-CB 3.48Å; E667-S733 PolarHBondContact O-OG 3.15Å; E667-S733 VanDerWaalsContact O-OG 3.06Å |
| 668 | A | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.6 | -49 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F620 I621 A624 V664 F665 G670 F671 M672 | F620-A668 HydrophobicContact CD1-CB 3.56Å; F620-A668 HydrophobicContact CE1-CB 3.52Å; F620-A668 HydrophobicContact CG-CB 4.45Å; F620-A668 HydrophobicContact CZ-CB 4.38Å; I621-A668 HydrophobicContact CB-CB 3.81Å; I621-A668 HydrophobicContact CG1-CB 3.98Å; A624-A668 HydrophobicContact CB-CB 3.96Å; A624-A668 WeakPolarHBondContact CB-O 3.23Å; V664-A668 WeakPolarHBondContact O-CB 3.32Å; V664-A668 PolarHBondContact O-N 2.99Å; F665-A668 WeakPolarHBondContact O-CB 3.41Å; F665-A668 PolarHBondContact O-N 3.26Å; A668-G670 VanDerWaalsContact C-N 3.29Å; A668-G670 PolarHBondContact O-N 3.37Å; A668-F671 PolarHBondContact O-N 3.44Å; A668-M672 PolarHBondContact O-N 3.38Å |
| 669 | V | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.7 | -34.3 | 177.6 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | F620 I643 I646 L647 F665 F671 M672 I673 L689 | F620-V669 HydrophobicContact CE1-CG2 4.33Å; F620-V669 HydrophobicContact CZ-CG2 4.42Å; I643-V669 HydrophobicContact CD1-CG1 4.35Å; I643-V669 HydrophobicContact CG1-CG1 4.48Å; I646-V669 HydrophobicContact CG2-CG2 4.24Å; L647-V669 HydrophobicContact CD2-CG1 4.09Å; F665-V669 HydrophobicContact CD1-CG2 3.88Å; F665-V669 HydrophobicContact CE1-CG2 3.54Å; F665-V669 HydrophobicContact CZ-CG2 4.28Å; F665-V669 WeakPolarHBondContact O-CG2 3.4Å; F665-V669 PolarHBondContact O-N 3.28Å; V669-F671 VanDerWaalsContact C-N 3.31Å; V669-F671 PolarHBondContact O-N 2.91Å; V669-M672 WeakPolarHBondContact O-CA 3.43Å; V669-M672 VanDerWaalsContact O-CB 3.31Å; V669-M672 WeakPolarHBondContact O-CB 3.26Å; V669-M672 PolarHBondContact O-N 3.37Å; V669-I673 HydrophobicContact CG1-CD1 4.27Å; V669-I673 HydrophobicContact CG1-CG1 4.41Å; V669-I673 WeakPolarHBondContact O-CG1 3.36Å; V669-I673 PolarHBondContact O-N 3.06Å; V669-L689 HydrophobicContact CB-CD1 4.02Å; V669-L689 HydrophobicContact CB-CD2 4.39Å; V669-L689 HydrophobicContact CG1-CD1 3.85Å; V669-L689 HydrophobicContact CG1-CD2 4.21Å |
| 670 | G | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -36.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y666 E667 A668 M672 I673 S674 S733 | Y666-G670 PolarHBondContact O-N 2.97Å; E667-G670 PolarHBondContact O-N 2.87Å; A668-G670 VanDerWaalsContact C-N 3.29Å; A668-G670 PolarHBondContact O-N 3.37Å; G670-M672 VanDerWaalsContact C-N 3.3Å; G670-M672 PolarHBondContact O-N 3.05Å; G670-I673 PolarHBondContact O-N 3.13Å; G670-S674 PolarHBondContact O-N 2.87Å; G670-S674 PolarHBondContact O-OG 3.33Å; G670-S733 WeakPolarHBondContact CA-OG 3.49Å |
| 671 | F | 96.6 | Very high | 96 | Very high | 37 Ų | 37 | 37.2 Ų | 37.2 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -32.7 | 171.3 | -74.8 | -59.6 | 0 | 0 | 0 | 113.3 | I621 H625 R628 E667 A668 V669 S674 | I621-F671 HydrophobicContact CD1-CE2 4.22Å; I621-F671 HydrophobicContact CG1-CD2 4.25Å; I621-F671 HydrophobicContact CG1-CE2 4.13Å; H625-F671 HydrophobicContact CB-CD2 4.1Å; H625-F671 HydrophobicContact CB-CE2 4.39Å; H625-F671 HydrophobicContact CB-CG 4.29Å; H625-F671 AromaticContact CD2-CD1 3.58Å; H625-F671 AromaticContact CD2-CE1 3.59Å; H625-F671 AromaticContact CD2-CG 3.97Å; H625-F671 AromaticContact CD2-CZ 3.97Å; R628-F671 VanDerWaalsContact CB-O 3.26Å; R628-F671 WeakPolarHBondContact CB-O 3.32Å; R628-F671 WeakPolarHBondContact CD-O 3.45Å; E667-F671 HydrophobicContact CG-CE2 4Å; E667-F671 VanDerWaalsContact O-CD2 3.29Å; E667-F671 WeakPolarHBondContact O-CD2 3.36Å; E667-F671 PolarHBondContact O-N 3.2Å; E667-F671 VanDerWaalsContact O-N 3.15Å; A668-F671 PolarHBondContact O-N 3.44Å; V669-F671 VanDerWaalsContact C-N 3.31Å; V669-F671 PolarHBondContact O-N 2.91Å; F671-S674 PolarHBondContact O-OG 3.01Å |
| 672 | M | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.2 | -46.7 | 174.4 | -53.8 | 178.4 | -175.6 | 0 | 0 | 110 | F620 A624 F631 V632 I643 I646 A668 V669 G670 S674 A675 | F620-M672 HydrophobicContact CE1-CE 4.49Å; F620-M672 HydrophobicContact CE2-CE 3.6Å; F620-M672 HydrophobicContact CZ-CE 3.49Å; F620-M672 VanDerWaalsContact CZ-CE 3.49Å; A624-M672 HydrophobicContact CB-CE 3.43Å; A624-M672 VanDerWaalsContact CB-CE 3.43Å; A624-M672 HydrophobicContact CB-CG 4.29Å; F631-M672 HydrophobicContact CB-CB 4.14Å; F631-M672 HydrophobicContact CB-CG 4Å; F631-M672 HydrophobicContact CB-SD 3.72Å; F631-M672 HydrophobicContact CD1-CE 3.7Å; F631-M672 HydrophobicContact CD1-SD 3.64Å; F631-M672 HydrophobicContact CD2-CE 3.95Å; F631-M672 HydrophobicContact CD2-CG 3.99Å; F631-M672 HydrophobicContact CD2-SD 3.99Å; F631-M672 HydrophobicContact CE1-CE 3.64Å; F631-M672 HydrophobicContact CE1-SD 4.22Å; F631-M672 HydrophobicContact CE2-CE 3.88Å; F631-M672 HydrophobicContact CG-CE 3.87Å; F631-M672 HydrophobicContact CG-CG 3.98Å; F631-M672 HydrophobicContact CG-SD 3.51Å; F631-M672 VanDerWaalsContact CG-SD 3.51Å; F631-M672 HydrophobicContact CZ-CE 3.73Å; V632-M672 WeakPolarHBondContact CG1-O 3.14Å; I643-M672 HydrophobicContact CD1-CB 3.82Å; I646-M672 HydrophobicContact CD1-CE 4.3Å; I646-M672 HydrophobicContact CD1-SD 4.12Å; A668-M672 PolarHBondContact O-N 3.38Å; V669-M672 WeakPolarHBondContact O-CA 3.43Å; V669-M672 VanDerWaalsContact O-CB 3.31Å; V669-M672 WeakPolarHBondContact O-CB 3.26Å; V669-M672 PolarHBondContact O-N 3.37Å; G670-M672 VanDerWaalsContact C-N 3.3Å; G670-M672 PolarHBondContact O-N 3.05Å; M672-S674 VanDerWaalsContact C-N 3.33Å; M672-S674 PolarHBondContact O-N 3.42Å; M672-A675 WeakPolarHBondContact O-CB 3.29Å; M672-A675 PolarHBondContact O-N 3.34Å |
| 673 | I | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 178.8 | -63 | 177.8 | 0 | 0 | 0 | 111.6 | I643 V669 G670 A675 Q676 Q682 L685 V686 L689 I734 | I643-I673 HydrophobicContact CD1-CG1 3.63Å; V669-I673 HydrophobicContact CG1-CD1 4.27Å; V669-I673 HydrophobicContact CG1-CG1 4.41Å; V669-I673 WeakPolarHBondContact O-CG1 3.36Å; V669-I673 PolarHBondContact O-N 3.06Å; G670-I673 PolarHBondContact O-N 3.13Å; I673-A675 PolarHBondContact O-N 3.42Å; I673-A675 VanDerWaalsContact O-N 3.16Å; I673-Q676 WeakPolarHBondContact O-CB 3.42Å; I673-Q676 PolarHBondContact O-N 3.5Å; I673-Q682 HydrophobicContact CG2-CG 3.72Å; I673-Q682 PolarHBondContact O-NE2 3.32Å; I673-L685 HydrophobicContact CD1-CB 4.09Å; I673-L685 HydrophobicContact CG1-CB 4.04Å; I673-L685 HydrophobicContact CG2-CB 4.23Å; I673-V686 HydrophobicContact CG2-CG2 3.76Å; I673-L689 HydrophobicContact CD1-CB 3.93Å; I673-L689 HydrophobicContact CD1-CD2 3.65Å; I673-L689 HydrophobicContact CD1-CG 4.4Å; I673-I734 HydrophobicContact CB-CG1 4.32Å; I673-I734 HydrophobicContact CD1-CD1 4.49Å; I673-I734 HydrophobicContact CG2-CG1 4.39Å |
| 674 | S | 95.7 | Very high | 96 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 23% | 0.231 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.2 | 176.7 | 60.6 | 0 | 0 | 0 | 0 | 114 | G670 F671 M672 S733 | G670-S674 PolarHBondContact O-N 2.87Å; G670-S674 PolarHBondContact O-OG 3.33Å; F671-S674 PolarHBondContact O-OG 3.01Å; M672-S674 VanDerWaalsContact C-N 3.33Å; M672-S674 PolarHBondContact O-N 3.42Å; S674-S733 WeakPolarHBondContact CB-O 3.4Å; S674-S733 PolarHBondContact OG-O 3.31Å; S674-S733 VanDerWaalsContact OG-O 3.11Å |
| 675 | A | 95.2 | Very high | 96 | Very high | 20 Ų | 20 | 40 Ų | 40 | 17% | 0.165 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -10.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R628 R629 V632 M672 I673 | R628-A675 HydrophobicContact CB-CB 3.88Å; R628-A675 HydrophobicContact CG-CB 3.88Å; R629-A675 HydrophobicContact CG-CB 4.22Å; V632-A675 HydrophobicContact CG2-CB 4.19Å; M672-A675 WeakPolarHBondContact O-CB 3.29Å; M672-A675 PolarHBondContact O-N 3.34Å; I673-A675 PolarHBondContact O-N 3.42Å; I673-A675 VanDerWaalsContact O-N 3.16Å |
| 676 | Q | 95.8 | Very high | 96 | Very high | 39 Ų | 39 | 40 Ų | 40 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | trans | -73.1 | 124.4 | 174.4 | 178.3 | 54.8 | -94.3 | 0 | 0 | 110.3 | V632 I673 V681 Q682 L685 | V632-Q676 HydrophobicContact CG1-CB 4.41Å; I673-Q676 WeakPolarHBondContact O-CB 3.42Å; I673-Q676 PolarHBondContact O-N 3.5Å; Q676-V681 HydrophobicContact CG-CB 4.1Å; Q676-V681 HydrophobicContact CG-CG1 4.11Å; Q676-Q682 HydrophobicContact CB-CB 4.14Å; Q676-Q682 HydrophobicContact CB-CG 4.35Å; Q676-Q682 HydrophobicContact CG-CB 3.92Å; Q676-Q682 PolarHBondContact O-NE2 3.11Å; Q676-L685 HydrophobicContact CB-CD1 4.29Å; Q676-L685 HydrophobicContact CG-CD1 4.27Å | ||
| 677 | Q | 91.4 | Very high | 95.9 | Very high | 186 Ų | 186 | 45.1 Ų | 45.1 | 87% | 0.869 | 24% | 0.238 | S | C | * | . | trans | -86.8 | -29.1 | -177 | -64.7 | -175.9 | -14.2 | 0 | 0 | 113 | Q679 | Q677-Q679 PolarHBondContact O-N 3.42Š| ||
| 678 | D | 94.2 | Very high | 95.9 | Very high | 79 Ų | 79 | 47 Ų | 47 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | trans | -78.7 | 112.4 | 176 | -172.6 | -37 | 0 | 0 | 0 | 109.9 | S680 V681 Q682 | D678-S680 VanDerWaalsContact C-N 3.25Å; D678-S680 PolarHBondContact O-N 3.19Å; D678-S680 WeakPolarHBondContact OD1-CB 3.42Å; D678-S680 PolarHBondContact OD1-N 3.49Å; D678-S680 PolarHBondContact OD1-OG 3.23Å; D678-V681 HydrophobicContact CB-CB 4.09Å; D678-V681 HydrophobicContact CB-CG2 3.92Å; D678-V681 PolarHBondContact O-N 2.98Å; D678-V681 PolarHBondContact OD1-N 2.9Å; D678-Q682 VanDerWaalsContact O-CB 3.31Å; D678-Q682 WeakPolarHBondContact O-CB 3.36Å; D678-Q682 PolarHBondContact O-N 3.09Å | ||
| 679 | Q | 92.2 | Very high | 95.9 | Very high | 129 Ų | 129 | 47 Ų | 47 | 60% | 0.603 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59 | -34.7 | -177.9 | -168.6 | 177.1 | 21.2 | 0 | 0 | 112.9 | Q677 Q682 Q683 | Q677-Q679 PolarHBondContact O-N 3.42Å; Q679-Q682 PolarHBondContact O-N 3Å; Q679-Q683 WeakPolarHBondContact O-CB 3.48Å; Q679-Q683 VanDerWaalsContact O-CG 3.27Å; Q679-Q683 WeakPolarHBondContact O-CG 3.37Å; Q679-Q683 PolarHBondContact O-N 2.82Å |
| 680 | S | 94.8 | Very high | 95.9 | Very high | 76 Ų | 76 | 47 Ų | 47 | 53% | 0.531 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.4 | -42.3 | -179.8 | 70.4 | 0 | 0 | 0 | 0 | 111.6 | D678 S684 | D678-S680 VanDerWaalsContact C-N 3.25Å; D678-S680 PolarHBondContact O-N 3.19Å; D678-S680 WeakPolarHBondContact OD1-CB 3.42Å; D678-S680 PolarHBondContact OD1-N 3.49Å; D678-S680 PolarHBondContact OD1-OG 3.23Å; S680-S684 PolarHBondContact O-N 2.95Å; S680-S684 VanDerWaalsContact O-N 3.15Å |
| 681 | V | 95.4 | Very high | 95.8 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 35% | 0.352 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 175.3 | -178.6 | 0 | 0 | 0 | 0 | 110 | Q676 D678 Q683 S684 L685 | Q676-V681 HydrophobicContact CG-CB 4.1Å; Q676-V681 HydrophobicContact CG-CG1 4.11Å; D678-V681 HydrophobicContact CB-CB 4.09Å; D678-V681 HydrophobicContact CB-CG2 3.92Å; D678-V681 PolarHBondContact O-N 2.98Å; D678-V681 PolarHBondContact OD1-N 2.9Å; V681-Q683 PolarHBondContact O-N 3.38Å; V681-S684 PolarHBondContact O-N 2.9Å; V681-L685 HydrophobicContact CG1-CD1 4.14Å; V681-L685 HydrophobicContact CG1-CG 4.39Å; V681-L685 VanDerWaalsContact O-CG 3.32Å; V681-L685 WeakPolarHBondContact O-CG 3.33Å; V681-L685 PolarHBondContact O-N 3.35Å |
| 682 | Q | 95.6 | Very high | 95.8 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 177.3 | -170.5 | 178.1 | 57.6 | 0 | 0 | 111.3 | I673 Q676 D678 Q679 S684 L685 V686 S737 | I673-Q682 HydrophobicContact CG2-CG 3.72Å; I673-Q682 PolarHBondContact O-NE2 3.32Å; Q676-Q682 HydrophobicContact CB-CB 4.14Å; Q676-Q682 HydrophobicContact CB-CG 4.35Å; Q676-Q682 HydrophobicContact CG-CB 3.92Å; Q676-Q682 PolarHBondContact O-NE2 3.11Å; D678-Q682 VanDerWaalsContact O-CB 3.31Å; D678-Q682 WeakPolarHBondContact O-CB 3.36Å; D678-Q682 PolarHBondContact O-N 3.09Å; Q679-Q682 PolarHBondContact O-N 3Å; Q682-S684 VanDerWaalsContact C-N 3.35Å; Q682-S684 PolarHBondContact O-N 3.43Å; Q682-L685 PolarHBondContact O-N 3.42Å; Q682-V686 WeakPolarHBondContact O-CG2 3.44Å; Q682-V686 PolarHBondContact O-N 3.19Å; Q682-S737 PolarHBondContact OE1-OG 3.25Å |
| 683 | Q | 94.8 | Very high | 95.7 | Very high | 72 Ų | 72 | 52.7 Ų | 52.7 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 175.5 | -75.5 | 175.4 | -3.9 | 0 | 0 | 111.9 | Q679 V681 L685 V686 E687 C740 | Q679-Q683 WeakPolarHBondContact O-CB 3.48Å; Q679-Q683 VanDerWaalsContact O-CG 3.27Å; Q679-Q683 WeakPolarHBondContact O-CG 3.37Å; Q679-Q683 PolarHBondContact O-N 2.82Å; V681-Q683 PolarHBondContact O-N 3.38Å; Q683-L685 VanDerWaalsContact C-N 3.32Å; Q683-L685 PolarHBondContact O-N 2.94Å; Q683-V686 PolarHBondContact O-N 3.35Å; Q683-E687 WeakPolarHBondContact O-CG 3.45Å; Q683-E687 PolarHBondContact O-N 3.23Å; Q683-C740 HydrophobicContact CG-CB 4.24Å |
| 684 | S | 96.3 | Very high | 95.7 | Very high | 54 Ų | 54 | 53 Ų | 53 | 38% | 0.378 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 112.9 | S680 V681 Q682 E687 R688 | S680-S684 PolarHBondContact O-N 2.95Å; S680-S684 VanDerWaalsContact O-N 3.15Å; V681-S684 PolarHBondContact O-N 2.9Å; Q682-S684 VanDerWaalsContact C-N 3.35Å; Q682-S684 PolarHBondContact O-N 3.43Å; S684-E687 PolarHBondContact O-N 3.15Å; S684-R688 WeakPolarHBondContact O-CG 3.38Å; S684-R688 PolarHBondContact O-N 3.08Å |
| 685 | L | 97.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 175.2 | -68.5 | 169.7 | 0 | 0 | 0 | 111.9 | I643 L647 I673 Q676 V681 Q682 Q683 R688 L689 | I643-L685 HydrophobicContact CD1-CD1 4.34Å; I643-L685 HydrophobicContact CD1-CD2 4.41Å; I643-L685 HydrophobicContact CG2-CD2 4.09Å; L647-L685 HydrophobicContact CD1-CD2 3.67Å; I673-L685 HydrophobicContact CD1-CB 4.09Å; I673-L685 HydrophobicContact CG1-CB 4.04Å; I673-L685 HydrophobicContact CG2-CB 4.23Å; Q676-L685 HydrophobicContact CB-CD1 4.29Å; Q676-L685 HydrophobicContact CG-CD1 4.27Å; V681-L685 HydrophobicContact CG1-CD1 4.14Å; V681-L685 HydrophobicContact CG1-CG 4.39Å; V681-L685 VanDerWaalsContact O-CG 3.32Å; V681-L685 WeakPolarHBondContact O-CG 3.33Å; V681-L685 PolarHBondContact O-N 3.35Å; Q682-L685 PolarHBondContact O-N 3.42Å; Q683-L685 VanDerWaalsContact C-N 3.32Å; Q683-L685 PolarHBondContact O-N 2.94Å; L685-R688 PolarHBondContact O-N 2.86Å; L685-L689 WeakPolarHBondContact O-CB 3.36Å; L685-L689 PolarHBondContact O-N 3.49Å |
| 686 | V | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 173.8 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | I673 Q682 Q683 R688 L689 M690 I734 F738 Q741 | I673-V686 HydrophobicContact CG2-CG2 3.76Å; Q682-V686 WeakPolarHBondContact O-CG2 3.44Å; Q682-V686 PolarHBondContact O-N 3.19Å; Q683-V686 PolarHBondContact O-N 3.35Å; V686-R688 VanDerWaalsContact C-N 3.31Å; V686-R688 PolarHBondContact O-N 3.43Å; V686-L689 PolarHBondContact O-N 3.38Å; V686-M690 HydrophobicContact CG1-CG 4.37Å; V686-M690 WeakPolarHBondContact O-CB 3.3Å; V686-M690 VanDerWaalsContact O-CG 3.3Å; V686-M690 WeakPolarHBondContact O-CG 3.31Å; V686-M690 PolarHBondContact O-N 3.21Å; V686-I734 HydrophobicContact CG2-CD1 4.1Å; V686-I734 HydrophobicContact CG2-CG2 4.23Å; V686-F738 HydrophobicContact CG1-CD2 4.45Å; V686-Q741 HydrophobicContact CG1-CB 3.79Å |
| 687 | E | 96.1 | Very high | 95.8 | Very high | 114 Ų | 114 | 55 Ų | 55 | 53% | 0.533 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.5 | -44.9 | 177.1 | -73.3 | 178 | 179.4 | 0 | 0 | 111.6 | Q683 S684 M690 V691 | Q683-E687 WeakPolarHBondContact O-CG 3.45Å; Q683-E687 PolarHBondContact O-N 3.23Å; S684-E687 PolarHBondContact O-N 3.15Å; E687-M690 PolarHBondContact O-N 3.04Å; E687-V691 VanDerWaalsContact O-CG2 3.31Å; E687-V691 WeakPolarHBondContact O-CG2 3.18Å; E687-V691 PolarHBondContact O-N 3.16Å |
| 688 | R | 97.1 | Very high | 96 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 26% | 0.26 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 178.4 | -76.2 | 175.1 | 65.4 | -154.3 | 1.1 | 113.2 | D644 L647 N648 S684 L685 V686 M690 V691 | D644-R688 PolarHBondContact O-NH2 2.88Å; D644-R688 IonicContact OD1-CZ 3.69Å; D644-R688 IonicContact OD1-NH1 3Å; D644-R688 PolarHBondContact OD1-NH1 3.46Å; D644-R688 IonicContact OD1-NH2 3.96Å; L647-R688 HydrophobicContact CD1-CB 3.99Å; N648-R688 PolarHBondContact OD1-NH2 2.87Å; S684-R688 WeakPolarHBondContact O-CG 3.38Å; S684-R688 PolarHBondContact O-N 3.08Å; L685-R688 PolarHBondContact O-N 2.86Å; V686-R688 VanDerWaalsContact C-N 3.31Å; V686-R688 PolarHBondContact O-N 3.43Å; R688-M690 VanDerWaalsContact C-N 3.29Å; R688-M690 PolarHBondContact O-N 3.43Å; R688-V691 WeakPolarHBondContact O-CG2 3.33Å; R688-V691 PolarHBondContact O-N 3.18Å |
| 689 | L | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 174.2 | 177.4 | 61.1 | 0 | 0 | 0 | 110.8 | L647 L650 Y666 V669 I673 L685 V686 V691 A730 I734 | L647-L689 HydrophobicContact CD2-CB 3.92Å; L647-L689 HydrophobicContact CD2-CD1 3.95Å; L650-L689 HydrophobicContact CD2-CD1 4.44Å; Y666-L689 HydrophobicContact CD1-CD1 3.62Å; Y666-L689 HydrophobicContact CD1-CD2 4.26Å; Y666-L689 HydrophobicContact CD1-CG 3.81Å; Y666-L689 HydrophobicContact CE1-CD1 3.74Å; Y666-L689 HydrophobicContact CE1-CG 3.99Å; Y666-L689 WeakPolarHBondContact CE1-O 3.39Å; V669-L689 HydrophobicContact CB-CD1 4.02Å; V669-L689 HydrophobicContact CB-CD2 4.39Å; V669-L689 HydrophobicContact CG1-CD1 3.85Å; V669-L689 HydrophobicContact CG1-CD2 4.21Å; I673-L689 HydrophobicContact CD1-CB 3.93Å; I673-L689 HydrophobicContact CD1-CD2 3.65Å; I673-L689 HydrophobicContact CD1-CG 4.4Å; L685-L689 WeakPolarHBondContact O-CB 3.36Å; L685-L689 PolarHBondContact O-N 3.49Å; V686-L689 PolarHBondContact O-N 3.38Å; L689-V691 VanDerWaalsContact C-N 3.33Å; L689-V691 PolarHBondContact O-N 3.12Å; L689-A730 HydrophobicContact CD2-CB 4.35Å; L689-I734 HydrophobicContact CD2-CD1 4.34Å |
| 690 | M | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 7 | -173.4 | -60 | -56.3 | -61.2 | 0 | 0 | 114.3 | Y666 V686 E687 R688 L692 P693 N694 N727 A730 F738 Q741 | Y666-M690 HydrophobicContact CD1-SD 4.23Å; Y666-M690 HydrophobicContact CE1-SD 4.24Å; V686-M690 HydrophobicContact CG1-CG 4.37Å; V686-M690 WeakPolarHBondContact O-CB 3.3Å; V686-M690 VanDerWaalsContact O-CG 3.3Å; V686-M690 WeakPolarHBondContact O-CG 3.31Å; V686-M690 PolarHBondContact O-N 3.21Å; E687-M690 PolarHBondContact O-N 3.04Å; R688-M690 VanDerWaalsContact C-N 3.29Å; R688-M690 PolarHBondContact O-N 3.43Å; M690-L692 PolarHBondContact O-N 3.4Å; M690-P693 HydrophobicContact CE-CB 4.08Å; M690-P693 HydrophobicContact CE-CG 4.07Å; M690-P693 WeakPolarHBondContact O-CD 3.39Å; M690-N694 WeakPolarHBondContact O-CB 3.19Å; M690-N694 PolarHBondContact O-N 3.39Å; M690-N694 PolarHBondContact O-ND2 3.34Å; M690-N727 HydrophobicContact CE-CB 4.29Å; M690-N727 WeakPolarHBondContact CE-ND2 3.42Å; M690-N727 WeakPolarHBondContact CE-OD1 3.44Å; M690-A730 HydrophobicContact SD-CB 4.06Å; M690-F738 HydrophobicContact SD-CE2 4.48Å; M690-Q741 HydrophobicContact CB-CG 4.47Å; M690-Q741 HydrophobicContact CE-CG 4.36Å; M690-Q741 HydrophobicContact CG-CG 3.97Å |
| 691 | V | 96.4 | Very high | 96.2 | Very high | 75 Ų | 75 | 41.8 Ų | 41.8 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57 | -48.6 | -179.5 | 169.7 | 0 | 0 | 0 | 0 | 112.5 | E687 R688 L689 N694 T695 | E687-V691 VanDerWaalsContact O-CG2 3.31Å; E687-V691 WeakPolarHBondContact O-CG2 3.18Å; E687-V691 PolarHBondContact O-N 3.16Å; R688-V691 WeakPolarHBondContact O-CG2 3.33Å; R688-V691 PolarHBondContact O-N 3.18Å; L689-V691 VanDerWaalsContact C-N 3.33Å; L689-V691 PolarHBondContact O-N 3.12Å; V691-N694 PolarHBondContact O-N 3.49Å; V691-T695 WeakPolarHBondContact O-CB 3.44Å; V691-T695 PolarHBondContact O-N 2.98Å; V691-T695 PolarHBondContact O-OG1 3.27Å |
| 692 | L | 95.8 | Very high | 96.2 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 39% | 0.387 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.9 | -50.4 | -176.5 | -58.3 | 174.2 | 0 | 0 | 0 | 111.7 | L650 M690 N694 T695 V696 | L650-L692 HydrophobicContact CD2-CD1 4Å; L650-L692 HydrophobicContact CD2-CG 4.43Å; L650-L692 HydrophobicContact CG-CD1 4.07Å; M690-L692 PolarHBondContact O-N 3.4Å; L692-N694 VanDerWaalsContact C-N 3.32Å; L692-N694 PolarHBondContact O-N 3.17Å; L692-T695 PolarHBondContact O-N 2.91Å; L692-V696 PolarHBondContact O-N 3.06Å |
| 693 | P | 96.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.058 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 175.9 | -22.4 | 34.6 | 0 | 0 | 0 | 112.7 | Y666 M690 V696 W697 I723 | Y666-P693 HydrophobicContact CE1-CG 3.95Å; Y666-P693 WeakPolarHBondContact OH-CD 3.46Å; Y666-P693 WeakPolarHBondContact OH-CG 3.44Å; M690-P693 HydrophobicContact CE-CB 4.08Å; M690-P693 HydrophobicContact CE-CG 4.07Å; M690-P693 WeakPolarHBondContact O-CD 3.39Å; P693-V696 PolarHBondContact O-N 3.06Å; P693-W697 VanDerWaalsContact O-CB 3.29Å; P693-W697 WeakPolarHBondContact O-CB 3.25Å; P693-W697 PolarHBondContact O-N 3.22Å; P693-I723 HydrophobicContact CB-CG2 4.11Å |
| 694 | N | 97.2 | Very high | 95.9 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.032 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -36.4 | 179.5 | -74.7 | -18.6 | 0 | 0 | 0 | 112.5 | M690 V691 L692 W697 D698 Q741 | M690-N694 WeakPolarHBondContact O-CB 3.19Å; M690-N694 PolarHBondContact O-N 3.39Å; M690-N694 PolarHBondContact O-ND2 3.34Å; V691-N694 PolarHBondContact O-N 3.49Å; L692-N694 VanDerWaalsContact C-N 3.32Å; L692-N694 PolarHBondContact O-N 3.17Å; N694-W697 WeakPolarHBondContact O-CB 3.35Å; N694-W697 PolarHBondContact O-N 2.81Å; N694-D698 VanDerWaalsContact O-CB 3.32Å; N694-D698 WeakPolarHBondContact O-CB 3.32Å; N694-D698 PolarHBondContact O-N 3.21Å; N694-Q741 PolarHBondContact ND2-OE1 3.29Å; N694-Q741 PolarHBondContact OD1-NE2 3.45Å |
| 695 | T | 96.4 | Very high | 95.7 | Very high | 72 Ų | 72 | 45.3 Ų | 45.3 | 44% | 0.442 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 177.9 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | V691 L692 W697 D698 D699 | V691-T695 WeakPolarHBondContact O-CB 3.44Å; V691-T695 PolarHBondContact O-N 2.98Å; V691-T695 PolarHBondContact O-OG1 3.27Å; L692-T695 PolarHBondContact O-N 2.91Å; T695-W697 VanDerWaalsContact C-N 3.34Å; T695-W697 PolarHBondContact O-N 2.91Å; T695-D698 PolarHBondContact O-N 3.08Å; T695-D699 WeakPolarHBondContact O-CB 3.41Å; T695-D699 PolarHBondContact O-N 3.21Å |
| 696 | V | 95.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 52.2 Ų | 52.2 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.9 | -36.9 | 176.8 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | L692 P693 I700 I723 | L692-V696 PolarHBondContact O-N 3.06Å; P693-V696 PolarHBondContact O-N 3.06Å; V696-I700 HydrophobicContact CG1-CD1 3.99Å; V696-I700 VanDerWaalsContact O-CG1 3.24Å; V696-I700 WeakPolarHBondContact O-CG1 3.36Å; V696-I700 PolarHBondContact O-N 2.93Å; V696-I723 HydrophobicContact CB-CD1 3.95Å; V696-I723 HydrophobicContact CG1-CD1 3.79Å |
| 697 | W | 96.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.5 | -53.4 | 174.1 | 178.9 | -90.1 | 0 | 0 | 0 | 111.7 | P693 N694 T695 D699 I700 I701 L720 I723 L724 I745 D748 L749 V752 | P693-W697 VanDerWaalsContact O-CB 3.29Å; P693-W697 WeakPolarHBondContact O-CB 3.25Å; P693-W697 PolarHBondContact O-N 3.22Å; N694-W697 WeakPolarHBondContact O-CB 3.35Å; N694-W697 PolarHBondContact O-N 2.81Å; T695-W697 VanDerWaalsContact C-N 3.34Å; T695-W697 PolarHBondContact O-N 2.91Å; W697-D699 VanDerWaalsContact C-N 3.29Å; W697-D699 PolarHBondContact O-N 3.09Å; W697-I700 PolarHBondContact O-N 3.2Å; W697-I700 VanDerWaalsContact O-N 3.08Å; W697-I701 HydrophobicContact CD2-CG1 4.34Å; W697-I701 HydrophobicContact CG-CG1 4.38Å; W697-I701 HydrophobicContact CZ2-CD1 4.02Å; W697-I701 HydrophobicContact CZ2-CG1 4.27Å; W697-I701 WeakPolarHBondContact O-CG1 3.44Å; W697-I701 PolarHBondContact O-N 2.87Å; W697-L720 HydrophobicContact CE3-CD2 3.9Å; W697-L720 HydrophobicContact CZ3-CD2 3.64Å; W697-I723 HydrophobicContact CB-CD1 4.48Å; W697-I723 HydrophobicContact CB-CG2 4.49Å; W697-I723 HydrophobicContact CE3-CG2 3.96Å; W697-L724 HydrophobicContact CZ3-CD2 4.32Å; W697-I745 HydrophobicContact CZ2-CB 4.42Å; W697-D748 HydrophobicContact CZ2-CB 3.72Å; W697-L749 HydrophobicContact CH2-CD2 3.39Å; W697-L749 HydrophobicContact CH2-CG 3.99Å; W697-L749 HydrophobicContact CZ2-CD2 4.03Å; W697-L749 HydrophobicContact CZ2-CG 4.14Å; W697-L749 HydrophobicContact CZ3-CD2 3.99Å; W697-V752 HydrophobicContact CH2-CG2 4.23Å |
| 698 | D | 96.5 | Very high | 94.8 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 35% | 0.348 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60 | -40.4 | -178.6 | -67.1 | -16.3 | 0 | 0 | 0 | 110.8 | N694 T695 I701 A702 R744 | N694-D698 VanDerWaalsContact O-CB 3.32Å; N694-D698 WeakPolarHBondContact O-CB 3.32Å; N694-D698 PolarHBondContact O-N 3.21Å; T695-D698 PolarHBondContact O-N 3.08Å; D698-I701 PolarHBondContact O-N 2.96Å; D698-A702 VanDerWaalsContact O-CB 3.27Å; D698-A702 WeakPolarHBondContact O-CB 3.25Å; D698-A702 PolarHBondContact O-N 3.4Å; D698-R744 IonicContact OD1-NH2 3.59Å; D698-R744 IonicContact OD2-CZ 3.67Å; D698-R744 IonicContact OD2-NH2 3.18Å; D698-R744 PolarHBondContact OD2-NH2 3.31Å |
| 699 | D | 95.4 | Very high | 94.5 | Very high | 92 Ų | 92 | 54.7 Ų | 54.7 | 49% | 0.492 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | 173.3 | -75.6 | -20.9 | 0 | 0 | 0 | 111.4 | T695 W697 I701 A702 H703 | T695-D699 WeakPolarHBondContact O-CB 3.41Å; T695-D699 PolarHBondContact O-N 3.21Å; W697-D699 VanDerWaalsContact C-N 3.29Å; W697-D699 PolarHBondContact O-N 3.09Å; D699-I701 PolarHBondContact O-N 3.19Å; D699-A702 PolarHBondContact O-N 2.79Å; D699-H703 PolarHBondContact O-N 3.04Å; D699-H703 PolarHBondContact O-ND1 3.35Å |
| 700 | I | 95 | Very high | 94.2 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 178.9 | -68.6 | 167.4 | 0 | 0 | 0 | 110.9 | V696 W697 H703 A704 L711 V716 N719 L720 I723 | V696-I700 HydrophobicContact CG1-CD1 3.99Å; V696-I700 VanDerWaalsContact O-CG1 3.24Å; V696-I700 WeakPolarHBondContact O-CG1 3.36Å; V696-I700 PolarHBondContact O-N 2.93Å; W697-I700 PolarHBondContact O-N 3.2Å; W697-I700 VanDerWaalsContact O-N 3.08Å; I700-H703 PolarHBondContact O-N 3.49Å; I700-A704 VanDerWaalsContact O-CB 3.31Å; I700-A704 WeakPolarHBondContact O-CB 3.43Å; I700-A704 PolarHBondContact O-N 3.45Å; I700-L711 HydrophobicContact CG2-CD2 4.05Å; I700-V716 HydrophobicContact CD1-CG1 4.2Å; I700-V716 HydrophobicContact CG1-CG1 4.19Å; I700-V716 HydrophobicContact CG2-CG1 3.72Å; I700-N719 HydrophobicContact CD1-CB 4.16Å; I700-L720 HydrophobicContact CD1-CD2 4.14Å; I700-L720 HydrophobicContact CD1-CG 4.21Å; I700-L720 HydrophobicContact CG2-CD1 4.45Å; I700-L720 HydrophobicContact CG2-CD2 4.06Å; I700-L720 HydrophobicContact CG2-CG 4.36Å; I700-I723 HydrophobicContact CD1-CD1 4.13Å |
| 701 | I | 95.4 | Very high | 93.9 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 179.2 | -63.7 | -56 | 0 | 0 | 0 | 111.4 | W697 D698 D699 H703 A704 S705 D748 V752 | W697-I701 HydrophobicContact CD2-CG1 4.34Å; W697-I701 HydrophobicContact CG-CG1 4.38Å; W697-I701 HydrophobicContact CZ2-CD1 4.02Å; W697-I701 HydrophobicContact CZ2-CG1 4.27Å; W697-I701 WeakPolarHBondContact O-CG1 3.44Å; W697-I701 PolarHBondContact O-N 2.87Å; D698-I701 PolarHBondContact O-N 2.96Å; D699-I701 PolarHBondContact O-N 3.19Å; I701-H703 VanDerWaalsContact C-N 3.34Å; I701-H703 PolarHBondContact O-N 2.93Å; I701-A704 PolarHBondContact O-N 3.45Å; I701-S705 WeakPolarHBondContact O-CB 3.36Å; I701-S705 PolarHBondContact O-N 3.25Å; I701-S705 PolarHBondContact O-OG 3.35Å; I701-D748 HydrophobicContact CD1-CB 4.13Å; I701-D748 HydrophobicContact CG1-CB 4.31Å; I701-V752 HydrophobicContact CD1-CG2 3.67Å |
| 702 | A | 94.3 | Very high | 93.5 | Very high | 51 Ų | 51 | 54.3 Ų | 54.3 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D698 D699 N706 | D698-A702 VanDerWaalsContact O-CB 3.27Å; D698-A702 WeakPolarHBondContact O-CB 3.25Å; D698-A702 PolarHBondContact O-N 3.4Å; D699-A702 PolarHBondContact O-N 2.79Å; A702-N706 PolarHBondContact O-ND2 3.19Å |
| 703 | H | 92.9 | Very high | 93.3 | Very high | 115 Ų | 115 | 55.3 Ų | 55.3 | 53% | 0.532 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69 | -44.6 | 174 | -72.9 | 81.7 | 0 | 0 | 0 | 111.6 | D699 I700 I701 S705 N706 D707 V710 | D699-H703 PolarHBondContact O-N 3.04Å; D699-H703 PolarHBondContact O-ND1 3.35Å; I700-H703 PolarHBondContact O-N 3.49Å; I701-H703 VanDerWaalsContact C-N 3.34Å; I701-H703 PolarHBondContact O-N 2.93Å; H703-S705 PolarHBondContact O-N 3.18Å; H703-N706 PolarHBondContact O-N 2.99Å; H703-D707 PolarHBondContact O-N 3.01Å; H703-V710 HydrophobicContact CB-CG1 4.22Å; H703-V710 HydrophobicContact CB-CG2 4.42Å |
| 704 | A | 92.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -30.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I700 I701 N706 D707 V708 L711 | I700-A704 VanDerWaalsContact O-CB 3.31Å; I700-A704 WeakPolarHBondContact O-CB 3.43Å; I700-A704 PolarHBondContact O-N 3.45Å; I701-A704 PolarHBondContact O-N 3.45Å; A704-N706 PolarHBondContact O-N 2.79Å; A704-D707 WeakPolarHBondContact CA-O 3.4Å; A704-D707 CarbonylContact O-C 3.41Å; A704-V708 PolarHBondContact O-N 3.16Å; A704-L711 HydrophobicContact CB-CD1 4.24Å; A704-L711 HydrophobicContact CB-CD2 4.05Å; A704-L711 HydrophobicContact CB-CG 4Å |
| 705 | S | 90.7 | Very high | 92.8 | Very high | 95 Ų | 95 | 64.5 Ų | 64.5 | 66% | 0.664 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.9 | -25.8 | 174.4 | -62 | 0 | 0 | 0 | 0 | 112.9 | I701 H703 | I701-S705 WeakPolarHBondContact O-CB 3.36Å; I701-S705 PolarHBondContact O-N 3.25Å; I701-S705 PolarHBondContact O-OG 3.35Å; H703-S705 PolarHBondContact O-N 3.18Å |
| 706 | N | 90.8 | Very high | 92.7 | Very high | 149 Ų | 149 | 61.9 Ų | 61.9 | 80% | 0.797 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -93.8 | -41.3 | 176.3 | -68.2 | -65.9 | 0 | 0 | 0 | 112.2 | A702 H703 A704 | A702-N706 PolarHBondContact O-ND2 3.19Å; H703-N706 PolarHBondContact O-N 2.99Å; A704-N706 PolarHBondContact O-N 2.79Å |
| 707 | D | 91.3 | Very high | 92.6 | Very high | 79 Ų | 79 | 59.2 Ų | 59.2 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | trans | -140.8 | 106.7 | 179 | -179.3 | 11 | 0 | 0 | 0 | 110.9 | H703 A704 E709 V710 | H703-D707 PolarHBondContact O-N 3.01Å; A704-D707 WeakPolarHBondContact CA-O 3.4Å; A704-D707 CarbonylContact O-C 3.41Å; D707-E709 PolarHBondContact O-N 2.94Å; D707-E709 VanDerWaalsContact OD1-CB 3.31Å; D707-E709 WeakPolarHBondContact OD1-CB 3.2Å; D707-E709 WeakPolarHBondContact OD1-CG 3.3Å; D707-E709 PolarHBondContact OD1-N 2.93Å; D707-V710 HydrophobicContact CB-CG2 4.16Å; D707-V710 WeakPolarHBondContact O-CB 3.5Å; D707-V710 VanDerWaalsContact O-CG2 3.26Å; D707-V710 WeakPolarHBondContact O-CG2 3.45Å; D707-V710 PolarHBondContact O-N 2.86Å | ||
| 708 | V | 91.1 | Very high | 92.4 | Very high | 65 Ų | 65 | 64.6 Ų | 64.6 | 39% | 0.394 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -66.1 | -21 | -178.8 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | A704 V710 L711 V755 | A704-V708 PolarHBondContact O-N 3.16Å; V708-V710 PolarHBondContact O-N 3.24Å; V708-L711 PolarHBondContact O-N 2.98Å; V708-V755 HydrophobicContact CG1-CB 4.34Å; V708-V755 HydrophobicContact CG1-CG1 3.25Å; V708-V755 HydrophobicContact CG1-CG2 4.11Å |
| 709 | E | 90.6 | Very high | 92.3 | Very high | 90 Ų | 90 | 64.7 Ų | 64.7 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -65.1 | -19.6 | 177.3 | -60.3 | -57.7 | 153.9 | 0 | 0 | 112.7 | D707 L711 T712 K759 | D707-E709 PolarHBondContact O-N 2.94Å; D707-E709 VanDerWaalsContact OD1-CB 3.31Å; D707-E709 WeakPolarHBondContact OD1-CB 3.2Å; D707-E709 WeakPolarHBondContact OD1-CG 3.3Å; D707-E709 PolarHBondContact OD1-N 2.93Å; E709-L711 PolarHBondContact O-N 3.13Å; E709-T712 WeakPolarHBondContact O-CB 3.46Å; E709-T712 PolarHBondContact O-N 3.49Å; E709-T712 PolarHBondContact O-OG1 3.48Å; E709-K759 IonicContact OE1-NZ 2.75Å; E709-K759 PolarHBondContact OE1-NZ 2.97Å; E709-K759 IonicContact OE2-NZ 3.15Å; E709-K759 PolarHBondContact OE2-NZ 2.89Å |
| 710 | V | 90.7 | Very high | 92.3 | Very high | 18 Ų | 18 | 60.4 Ų | 60.4 | 11% | 0.109 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -55.7 | -34.2 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | H703 D707 V708 T712 Q713 V716 | H703-V710 HydrophobicContact CB-CG1 4.22Å; H703-V710 HydrophobicContact CB-CG2 4.42Å; D707-V710 HydrophobicContact CB-CG2 4.16Å; D707-V710 WeakPolarHBondContact O-CB 3.5Å; D707-V710 VanDerWaalsContact O-CG2 3.26Å; D707-V710 WeakPolarHBondContact O-CG2 3.45Å; D707-V710 PolarHBondContact O-N 2.86Å; V708-V710 PolarHBondContact O-N 3.24Å; V710-T712 PolarHBondContact O-N 3.42Å; V710-T712 VanDerWaalsContact O-N 3.14Å; V710-Q713 WeakPolarHBondContact O-CB 3.49Å; V710-Q713 PolarHBondContact O-N 2.62Å; V710-Q713 VanDerWaalsContact O-N 3.15Å; V710-V716 HydrophobicContact CG1-CG1 4.13Å; V710-V716 HydrophobicContact CG1-CG2 3.91Å; V710-V716 WeakPolarHBondContact O-CB 3.26Å |
| 711 | L | 90.6 | Very high | 92.3 | Very high | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -70.9 | -3 | 177.4 | -60.5 | -178.7 | 0 | 0 | 0 | 114.2 | I700 A704 V708 E709 V717 L720 V752 V755 | I700-L711 HydrophobicContact CG2-CD2 4.05Å; A704-L711 HydrophobicContact CB-CD1 4.24Å; A704-L711 HydrophobicContact CB-CD2 4.05Å; A704-L711 HydrophobicContact CB-CG 4Å; V708-L711 PolarHBondContact O-N 2.98Å; E709-L711 PolarHBondContact O-N 3.13Å; L711-V717 WeakPolarHBondContact O-CG2 3.48Å; L711-L720 HydrophobicContact CD2-CD1 3.88Å; L711-V752 HydrophobicContact CD1-CG2 4.48Å; L711-V755 HydrophobicContact CD1-CB 4.07Å; L711-V755 HydrophobicContact CD1-CG1 3.68Å |
| 712 | T | 89.2 | Confident | 92.3 | Very high | 44 Ų | 44 | 61.4 Ų | 61.4 | 27% | 0.27 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -101.2 | -9 | 174 | 71.3 | 0 | 0 | 0 | 0 | 112.9 | E709 V710 K759 M780 | E709-T712 WeakPolarHBondContact O-CB 3.46Å; E709-T712 PolarHBondContact O-N 3.49Å; E709-T712 PolarHBondContact O-OG1 3.48Å; V710-T712 PolarHBondContact O-N 3.42Å; V710-T712 VanDerWaalsContact O-N 3.14Å; T712-K759 HydrophobicContact CG2-CD 4.1Å; T712-K759 HydrophobicContact CG2-CG 4.11Å; T712-M780 HydrophobicContact CG2-SD 4.18Å |
| 713 | Q | 91.7 | Very high | 92.4 | Very high | 94 Ų | 94 | 59.5 Ų | 59.5 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -73.9 | 128.3 | -177.1 | -63.3 | -177.5 | 8.2 | 0 | 0 | 110.9 | V710 E715 V716 V717 | V710-Q713 WeakPolarHBondContact O-CB 3.49Å; V710-Q713 PolarHBondContact O-N 2.62Å; V710-Q713 VanDerWaalsContact O-N 3.15Å; Q713-E715 VanDerWaalsContact C-N 3.31Å; Q713-E715 PolarHBondContact O-N 3.28Å; Q713-V716 HydrophobicContact CB-CB 4.24Å; Q713-V716 HydrophobicContact CB-CG2 3.98Å; Q713-V716 PolarHBondContact O-N 2.79Å; Q713-V716 VanDerWaalsContact O-N 3.1Å; Q713-V717 VanDerWaalsContact O-CG2 3.31Å; Q713-V717 WeakPolarHBondContact O-CG2 3.32Å; Q713-V717 PolarHBondContact O-N 3.26Å |
| 714 | P | 91.1 | Very high | 92.6 | Very high | 82 Ų | 82 | 54 Ų | 54 | 53% | 0.532 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53.6 | -41.2 | -174 | -29.5 | 35.2 | 0 | 0 | 0 | 115.1 | K718 | P714-K718 WeakPolarHBondContact O-CB 3.21Å; P714-K718 PolarHBondContact O-N 3.18Å |
| 715 | E | 91.7 | Very high | 92.8 | Very high | 126 Ų | 126 | 57.1 Ų | 57.1 | 59% | 0.589 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -68.6 | -41.2 | 179.5 | -63.8 | -55.8 | 143.3 | 0 | 0 | 112.3 | Q713 K718 N719 | Q713-E715 VanDerWaalsContact C-N 3.31Å; Q713-E715 PolarHBondContact O-N 3.28Å; E715-K718 PolarHBondContact O-N 3.33Å; E715-N719 VanDerWaalsContact O-CG 3.31Å; E715-N719 PolarHBondContact O-N 2.99Å |
| 716 | V | 93.4 | Very high | 93.1 | Very high | 18 Ų | 18 | 53 Ų | 53 | 11% | 0.109 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | I700 V710 Q713 K718 N719 L720 | I700-V716 HydrophobicContact CD1-CG1 4.2Å; I700-V716 HydrophobicContact CG1-CG1 4.19Å; I700-V716 HydrophobicContact CG2-CG1 3.72Å; V710-V716 HydrophobicContact CG1-CG1 4.13Å; V710-V716 HydrophobicContact CG1-CG2 3.91Å; V710-V716 WeakPolarHBondContact O-CB 3.26Å; Q713-V716 HydrophobicContact CB-CB 4.24Å; Q713-V716 HydrophobicContact CB-CG2 3.98Å; Q713-V716 PolarHBondContact O-N 2.79Å; Q713-V716 VanDerWaalsContact O-N 3.1Å; V716-K718 VanDerWaalsContact C-N 3.3Å; V716-K718 PolarHBondContact O-N 3.09Å; V716-N719 PolarHBondContact O-N 3.43Å; V716-L720 HydrophobicContact CG1-CD1 4.32Å; V716-L720 WeakPolarHBondContact O-CG 3.25Å; V716-L720 PolarHBondContact O-N 3.48Å |
| 717 | V | 93.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62 | -40.1 | 178 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | L711 Q713 L720 I721 C779 M780 V783 | L711-V717 WeakPolarHBondContact O-CG2 3.48Å; Q713-V717 VanDerWaalsContact O-CG2 3.31Å; Q713-V717 WeakPolarHBondContact O-CG2 3.32Å; Q713-V717 PolarHBondContact O-N 3.26Å; V717-L720 PolarHBondContact O-N 3.35Å; V717-I721 HydrophobicContact CG1-CD1 4.4Å; V717-I721 WeakPolarHBondContact O-CG1 3.34Å; V717-I721 PolarHBondContact O-N 3.27Å; V717-C779 HydrophobicContact CB-CB 4.41Å; V717-C779 HydrophobicContact CG1-CB 3.49Å; V717-C779 VanDerWaalsContact CG1-CB 3.49Å; V717-C779 WeakPolarHBondContact CG1-O 2.96Å; V717-M780 HydrophobicContact CG1-CG 4.35Å; V717-M780 HydrophobicContact CG2-CG 4.08Å; V717-V783 HydrophobicContact CG1-CG2 3.64Å |
| 718 | K | 92.8 | Very high | 93.8 | Very high | 114 Ų | 114 | 43.3 Ų | 43.3 | 50% | 0.496 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.2 | -41.7 | 174.9 | -172.6 | -179.4 | 177.3 | -172.8 | 0 | 111.9 | P714 E715 V716 I721 N722 | P714-K718 WeakPolarHBondContact O-CB 3.21Å; P714-K718 PolarHBondContact O-N 3.18Å; E715-K718 PolarHBondContact O-N 3.33Å; V716-K718 VanDerWaalsContact C-N 3.3Å; V716-K718 PolarHBondContact O-N 3.09Å; K718-I721 PolarHBondContact O-N 3.12Å; K718-N722 VanDerWaalsContact O-CG 3.31Å; K718-N722 PolarHBondContact O-N 3.14Å; K718-N722 VanDerWaalsContact O-N 3.1Å; K718-N722 PolarHBondContact O-ND2 3.42Å |
| 719 | N | 93.5 | Very high | 94.1 | Very high | 68 Ų | 68 | 40.6 Ų | 40.6 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 175.3 | -72.9 | -15.6 | 0 | 0 | 0 | 111.8 | I700 E715 V716 I721 N722 I723 | I700-N719 HydrophobicContact CD1-CB 4.16Å; E715-N719 VanDerWaalsContact O-CG 3.31Å; E715-N719 PolarHBondContact O-N 2.99Å; V716-N719 PolarHBondContact O-N 3.43Å; N719-I721 PolarHBondContact O-N 3.47Å; N719-N722 PolarHBondContact O-N 3.02Å; N719-I723 VanDerWaalsContact O-CG1 3.27Å; N719-I723 WeakPolarHBondContact O-CG1 3.46Å; N719-I723 PolarHBondContact O-N 3.05Å |
| 720 | L | 95.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.3 | -47.6 | 174.4 | -74.7 | 170.7 | 0 | 0 | 0 | 111.6 | W697 I700 L711 V716 V717 N722 I723 L724 V752 V783 | W697-L720 HydrophobicContact CE3-CD2 3.9Å; W697-L720 HydrophobicContact CZ3-CD2 3.64Å; I700-L720 HydrophobicContact CD1-CD2 4.14Å; I700-L720 HydrophobicContact CD1-CG 4.21Å; I700-L720 HydrophobicContact CG2-CD1 4.45Å; I700-L720 HydrophobicContact CG2-CD2 4.06Å; I700-L720 HydrophobicContact CG2-CG 4.36Å; L711-L720 HydrophobicContact CD2-CD1 3.88Å; V716-L720 HydrophobicContact CG1-CD1 4.32Å; V716-L720 WeakPolarHBondContact O-CG 3.25Å; V716-L720 PolarHBondContact O-N 3.48Å; V717-L720 PolarHBondContact O-N 3.35Å; L720-N722 VanDerWaalsContact C-N 3.32Å; L720-N722 PolarHBondContact O-N 2.98Å; L720-I723 PolarHBondContact O-N 3.13Å; L720-L724 WeakPolarHBondContact O-CB 3.43Å; L720-L724 WeakPolarHBondContact O-CD1 3.36Å; L720-L724 WeakPolarHBondContact O-CG 3.1Å; L720-L724 PolarHBondContact O-N 3.3Å; L720-V752 HydrophobicContact CD1-CG1 4.36Å; L720-V783 HydrophobicContact CB-CG2 3.99Å |
| 721 | I | 95.3 | Very high | 94.7 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.9 | -45.6 | 176.4 | -69.4 | 168.4 | 0 | 0 | 0 | 111.1 | V717 K718 N719 L724 K725 C779 V783 E786 | V717-I721 HydrophobicContact CG1-CD1 4.4Å; V717-I721 WeakPolarHBondContact O-CG1 3.34Å; V717-I721 PolarHBondContact O-N 3.27Å; K718-I721 PolarHBondContact O-N 3.12Å; N719-I721 PolarHBondContact O-N 3.47Å; I721-L724 PolarHBondContact O-N 3.09Å; I721-K725 HydrophobicContact CG2-CD 4.12Å; I721-K725 WeakPolarHBondContact O-CB 3.27Å; I721-K725 WeakPolarHBondContact O-CG 3.36Å; I721-K725 PolarHBondContact O-N 3.27Å; I721-C779 HydrophobicContact CD1-CB 4.41Å; I721-V783 HydrophobicContact CD1-CG2 4.4Å; I721-V783 HydrophobicContact CG1-CG2 3.76Å; I721-E786 HydrophobicContact CG2-CG 4.28Å |
| 722 | N | 94.8 | Very high | 95 | Very high | 34 Ų | 34 | 40.5 Ų | 40.5 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.5 | -40.3 | -180 | -66.1 | -27.7 | 0 | 0 | 0 | 112.4 | H663 K718 N719 L720 K725 S726 | H663-N722 PolarHBondContact NE2-O 3.23Å; K718-N722 VanDerWaalsContact O-CG 3.31Å; K718-N722 PolarHBondContact O-N 3.14Å; K718-N722 VanDerWaalsContact O-N 3.1Å; K718-N722 PolarHBondContact O-ND2 3.42Å; N719-N722 PolarHBondContact O-N 3.02Å; L720-N722 VanDerWaalsContact C-N 3.32Å; L720-N722 PolarHBondContact O-N 2.98Å; N722-K725 PolarHBondContact O-N 3.37Å; N722-S726 WeakPolarHBondContact O-CB 3.31Å; N722-S726 PolarHBondContact O-N 2.89Å; N722-S726 PolarHBondContact O-OG 3.45Å |
| 723 | I | 96.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 175.2 | -68.6 | 162.8 | 0 | 0 | 0 | 110 | P693 V696 W697 I700 N719 L720 K725 S726 N727 | P693-I723 HydrophobicContact CB-CG2 4.11Å; V696-I723 HydrophobicContact CB-CD1 3.95Å; V696-I723 HydrophobicContact CG1-CD1 3.79Å; W697-I723 HydrophobicContact CB-CD1 4.48Å; W697-I723 HydrophobicContact CB-CG2 4.49Å; W697-I723 HydrophobicContact CE3-CG2 3.96Å; I700-I723 HydrophobicContact CD1-CD1 4.13Å; N719-I723 VanDerWaalsContact O-CG1 3.27Å; N719-I723 WeakPolarHBondContact O-CG1 3.46Å; N719-I723 PolarHBondContact O-N 3.05Å; L720-I723 PolarHBondContact O-N 3.13Å; I723-K725 PolarHBondContact O-N 3.36Å; I723-S726 WeakPolarHBondContact O-CB 3.33Å; I723-S726 PolarHBondContact O-N 3.43Å; I723-N727 PolarHBondContact O-N 3.12Å; I723-N727 PolarHBondContact O-ND2 2.61Å |
| 724 | L | 97.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 179.9 | -67.9 | 166.8 | 0 | 0 | 0 | 111.5 | W697 L720 I721 S726 N727 T728 L749 V783 E786 I787 L790 | W697-L724 HydrophobicContact CZ3-CD2 4.32Å; L720-L724 WeakPolarHBondContact O-CB 3.43Å; L720-L724 WeakPolarHBondContact O-CD1 3.36Å; L720-L724 WeakPolarHBondContact O-CG 3.1Å; L720-L724 PolarHBondContact O-N 3.3Å; I721-L724 PolarHBondContact O-N 3.09Å; L724-S726 VanDerWaalsContact C-N 3.35Å; L724-S726 PolarHBondContact O-N 3.11Å; L724-N727 WeakPolarHBondContact O-CB 3.42Å; L724-N727 PolarHBondContact O-N 3.35Å; L724-T728 PolarHBondContact O-N 3.31Å; L724-T728 PolarHBondContact O-OG1 2.97Å; L724-T728 VanDerWaalsContact O-OG1 3.04Å; L724-L749 HydrophobicContact CD2-CD2 3.32Å; L724-V783 HydrophobicContact CD1-CG1 4.07Å; L724-E786 HydrophobicContact CB-CB 3.72Å; L724-E786 HydrophobicContact CD1-CB 3.89Å; L724-E786 HydrophobicContact CG-CB 4.44Å; L724-I787 HydrophobicContact CD1-CG1 3.7Å; L724-I787 HydrophobicContact CD2-CG1 3.87Å; L724-I787 HydrophobicContact CG-CG1 4.46Å; L724-L790 HydrophobicContact CD2-CD2 4.37Å |
| 725 | K | 97.1 | Very high | 95.6 | Very high | 77 Ų | 77 | 31.1 Ų | 31.1 | 34% | 0.335 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.1 | -39.3 | 175.2 | -75.6 | -178.7 | 176.4 | -172.2 | 0 | 112.9 | H663 I721 N722 I723 T728 A729 E786 | H663-K725 WeakPolarHBondContact CE1-CB 3.42Å; H663-K725 WeakPolarHBondContact NE2-CB 3.49Å; I721-K725 HydrophobicContact CG2-CD 4.12Å; I721-K725 WeakPolarHBondContact O-CB 3.27Å; I721-K725 WeakPolarHBondContact O-CG 3.36Å; I721-K725 PolarHBondContact O-N 3.27Å; N722-K725 PolarHBondContact O-N 3.37Å; I723-K725 PolarHBondContact O-N 3.36Å; K725-T728 PolarHBondContact O-N 2.91Å; K725-A729 WeakPolarHBondContact O-CB 3.38Å; K725-A729 PolarHBondContact O-N 3.3Å; K725-E786 VanDerWaalsContact CE-CD 3.41Å; K725-E786 WeakPolarHBondContact CE-OE1 3.4Å; K725-E786 HydrophobicContact CG-CG 4.21Å; K725-E786 WeakPolarHBondContact CG-OE2 3.48Å; K725-E786 IonicContact NZ-OE1 2.73Å |
| 726 | S | 96.9 | Very high | 95.7 | Very high | 9 Ų | 9 | 27 Ų | 27 | 6% | 0.063 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 173.5 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | H663 N722 I723 L724 A729 A730 | H663-S726 PolarHBondContact CD2-OG 3.3Å; H663-S726 VanDerWaalsContact CD2-OG 3.25Å; N722-S726 WeakPolarHBondContact O-CB 3.31Å; N722-S726 PolarHBondContact O-N 2.89Å; N722-S726 PolarHBondContact O-OG 3.45Å; I723-S726 WeakPolarHBondContact O-CB 3.33Å; I723-S726 PolarHBondContact O-N 3.43Å; L724-S726 VanDerWaalsContact C-N 3.35Å; L724-S726 PolarHBondContact O-N 3.11Å; S726-A729 PolarHBondContact O-N 3.12Å; S726-A730 WeakPolarHBondContact O-CB 3.49Å; S726-A730 PolarHBondContact O-N 2.81Å |
| 727 | N | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 173.9 | -82.3 | -96 | 0 | 0 | 0 | 111.3 | M690 I723 L724 A729 A730 C731 F738 Q741 L790 | M690-N727 HydrophobicContact CE-CB 4.29Å; M690-N727 WeakPolarHBondContact CE-ND2 3.42Å; M690-N727 WeakPolarHBondContact CE-OD1 3.44Å; I723-N727 PolarHBondContact O-N 3.12Å; I723-N727 PolarHBondContact O-ND2 2.61Å; L724-N727 WeakPolarHBondContact O-CB 3.42Å; L724-N727 PolarHBondContact O-N 3.35Å; N727-A729 PolarHBondContact O-N 3.34Å; N727-A730 PolarHBondContact O-N 3.22Å; N727-C731 WeakPolarHBondContact O-CB 3.19Å; N727-C731 PolarHBondContact O-N 2.94Å; N727-F738 HydrophobicContact CB-CZ 4.09Å; N727-F738 WeakPolarHBondContact O-CZ 3.44Å; N727-Q741 PolarHBondContact OD1-NE2 2.85Å; N727-L790 HydrophobicContact CB-CD1 3.96Å; N727-L790 HydrophobicContact CB-CD2 3.8Å |
| 728 | T | 97.7 | Very high | 95.8 | Very high | 23 Ų | 23 | 27.4 Ų | 27.4 | 14% | 0.141 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63 | -42.6 | 178.7 | -60 | 0 | 0 | 0 | 0 | 111.4 | L724 K725 C731 K732 L790 | L724-T728 PolarHBondContact O-N 3.31Å; L724-T728 PolarHBondContact O-OG1 2.97Å; L724-T728 VanDerWaalsContact O-OG1 3.04Å; K725-T728 PolarHBondContact O-N 2.91Å; T728-C731 PolarHBondContact O-N 2.8Å; T728-K732 WeakPolarHBondContact O-CB 3.44Å; T728-K732 PolarHBondContact O-N 3.45Å; T728-L790 WeakPolarHBondContact OG1-CA 3.09Å; T728-L790 WeakPolarHBondContact OG1-CB 3.37Å |
| 729 | A | 96.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 24.8 Ų | 24.8 | 7% | 0.074 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.3 | -45.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | H663 E667 K725 S726 N727 S733 | H663-A729 HydrophobicContact CB-CB 4.2Å; H663-A729 WeakPolarHBondContact O-CB 3.26Å; E667-A729 HydrophobicContact CB-CB 4.17Å; K725-A729 WeakPolarHBondContact O-CB 3.38Å; K725-A729 PolarHBondContact O-N 3.3Å; S726-A729 PolarHBondContact O-N 3.12Å; N727-A729 PolarHBondContact O-N 3.34Å; A729-S733 PolarHBondContact O-OG 3.48Å; A729-S733 VanDerWaalsContact O-OG 3.06Å |
| 730 | A | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.4 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L689 M690 S726 N727 K732 S733 I734 F738 | L689-A730 HydrophobicContact CD2-CB 4.35Å; M690-A730 HydrophobicContact SD-CB 4.06Å; S726-A730 WeakPolarHBondContact O-CB 3.49Å; S726-A730 PolarHBondContact O-N 2.81Å; N727-A730 PolarHBondContact O-N 3.22Å; A730-K732 PolarHBondContact O-N 3.35Å; A730-S733 PolarHBondContact O-N 3.48Å; A730-S733 PolarHBondContact O-OG 3.44Å; A730-I734 HydrophobicContact CB-CD1 4.06Å; A730-I734 WeakPolarHBondContact O-CB 3.49Å; A730-I734 WeakPolarHBondContact O-CD1 3.42Å; A730-I734 VanDerWaalsContact O-CG1 3.23Å; A730-I734 WeakPolarHBondContact O-CG1 3.39Å; A730-I734 PolarHBondContact O-N 3.25Å; A730-F738 HydrophobicContact CB-CE2 3.88Å |
| 731 | C | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.7 | -46.5 | 178.4 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | N727 T728 S733 I734 G735 F738 L790 W794 | N727-C731 WeakPolarHBondContact O-CB 3.19Å; N727-C731 PolarHBondContact O-N 2.94Å; T728-C731 PolarHBondContact O-N 2.8Å; C731-S733 PolarHBondContact O-N 3.02Å; C731-I734 PolarHBondContact O-N 3.03Å; C731-G735 PolarHBondContact O-N 3.27Å; C731-F738 HydrophobicContact CB-CB 4.48Å; C731-F738 HydrophobicContact CB-CD1 3.59Å; C731-F738 HydrophobicContact CB-CD2 4.19Å; C731-F738 HydrophobicContact CB-CE1 3.75Å; C731-F738 HydrophobicContact CB-CE2 4.31Å; C731-F738 HydrophobicContact CB-CG 3.82Å; C731-F738 HydrophobicContact CB-CZ 4.09Å; C731-L790 HydrophobicContact CB-CD1 3.92Å; C731-W794 VanDerWaalsContact SG-CB 3.58Å |
| 732 | K | 95.9 | Very high | 96 | Very high | 112 Ų | 112 | 22.3 Ų | 22.3 | 49% | 0.487 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -57 | -34.6 | -179.2 | -178.5 | -178.1 | 171 | -144.5 | 0 | 113.6 | E667 T728 A730 T793 Q797 | E667-K732 WeakPolarHBondContact OE1-CD 3.34Å; E667-K732 WeakPolarHBondContact OE1-CE 3.45Å; E667-K732 IonicContact OE1-NZ 2.69Å; E667-K732 PolarHBondContact OE1-NZ 3.22Å; E667-K732 IonicContact OE2-NZ 2.89Å; T728-K732 WeakPolarHBondContact O-CB 3.44Å; T728-K732 PolarHBondContact O-N 3.45Å; A730-K732 PolarHBondContact O-N 3.35Å; K732-T793 HydrophobicContact CB-CG2 3.99Å; K732-Q797 PolarHBondContact O-NE2 3.32Å; K732-Q797 VanDerWaalsContact O-NE2 3.11Å; K732-Q797 PolarHBondContact O-OE1 2.97Å |
| 733 | S | 96 | Very high | 95.9 | Very high | 6 Ų | 6 | 22.7 Ų | 22.7 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -97.8 | -28.1 | -174.8 | 50 | 0 | 0 | 0 | 0 | 113.9 | E667 G670 S674 A729 A730 C731 | E667-S733 WeakPolarHBondContact O-CB 3.48Å; E667-S733 PolarHBondContact O-OG 3.15Å; E667-S733 VanDerWaalsContact O-OG 3.06Å; G670-S733 WeakPolarHBondContact CA-OG 3.49Å; S674-S733 WeakPolarHBondContact CB-O 3.4Å; S674-S733 PolarHBondContact OG-O 3.31Å; S674-S733 VanDerWaalsContact OG-O 3.11Å; A729-S733 PolarHBondContact O-OG 3.48Å; A729-S733 VanDerWaalsContact O-OG 3.06Å; A730-S733 PolarHBondContact O-N 3.48Å; A730-S733 PolarHBondContact O-OG 3.44Å; C731-S733 PolarHBondContact O-N 3.02Å |
| 734 | I | 96.7 | Very high | 95.8 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 5% | 0.051 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -80.3 | -41.8 | 175.7 | -65.7 | 163.5 | 0 | 0 | 0 | 111.3 | I673 V686 L689 A730 C731 F738 | I673-I734 HydrophobicContact CB-CG1 4.32Å; I673-I734 HydrophobicContact CD1-CD1 4.49Å; I673-I734 HydrophobicContact CG2-CG1 4.39Å; V686-I734 HydrophobicContact CG2-CD1 4.1Å; V686-I734 HydrophobicContact CG2-CG2 4.23Å; L689-I734 HydrophobicContact CD2-CD1 4.34Å; A730-I734 HydrophobicContact CB-CD1 4.06Å; A730-I734 WeakPolarHBondContact O-CB 3.49Å; A730-I734 WeakPolarHBondContact O-CD1 3.42Å; A730-I734 VanDerWaalsContact O-CG1 3.23Å; A730-I734 WeakPolarHBondContact O-CG1 3.39Å; A730-I734 PolarHBondContact O-N 3.25Å; C731-I734 PolarHBondContact O-N 3.03Å; I734-F738 HydrophobicContact CB-CB 4.41Å; I734-F738 HydrophobicContact CD1-CD2 3.85Å; I734-F738 HydrophobicContact CD1-CE2 4.39Å; I734-F738 HydrophobicContact CG2-CB 4.15Å |
| 735 | G | 93.5 | Very high | 95.8 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 7% | 0.072 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | 76.1 | -142.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | C731 S737 F738 | C731-G735 PolarHBondContact O-N 3.27Å; G735-S737 PolarHBondContact O-N 3.09Å; G735-S737 VanDerWaalsContact O-N 3.09Å; G735-F738 WeakPolarHBondContact O-CB 3.2Å; G735-F738 PolarHBondContact O-N 2.9Å |
| 736 | N | 92.5 | Very high | 95.7 | Very high | 39 Ų | 39 | 25.6 Ų | 25.6 | 21% | 0.209 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -51.7 | -38.2 | -170.4 | -175 | 48 | 0 | 0 | 0 | 113.3 | F738 I739 E799 | N736-F738 PolarHBondContact O-N 2.77Å; N736-I739 WeakPolarHBondContact O-CB 3.18Å; N736-I739 WeakPolarHBondContact O-CG2 3.38Å; N736-I739 PolarHBondContact O-N 3.31Å; N736-E799 HydrophobicContact CB-CG 4.12Å; N736-E799 VanDerWaalsContact ND2-CD 3.33Å; N736-E799 PolarHBondContact ND2-OE2 3.02Å; N736-E799 VanDerWaalsContact ND2-OE2 3.1Å; N736-E799 PolarHBondContact OD1-N 3.37Å |
| 737 | S | 93.2 | Very high | 95.6 | Very high | 29 Ų | 29 | 30.8 Ų | 30.8 | 20% | 0.203 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -61.1 | -14 | 178.8 | -59.4 | 0 | 0 | 0 | 0 | 114.7 | Q682 G735 I739 C740 | Q682-S737 PolarHBondContact OE1-OG 3.25Å; G735-S737 PolarHBondContact O-N 3.09Å; G735-S737 VanDerWaalsContact O-N 3.09Å; S737-I739 PolarHBondContact O-N 3.23Å; S737-I739 VanDerWaalsContact O-N 3.14Å; S737-C740 PolarHBondContact O-SG 3.09Å |
| 738 | F | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -65.3 | -9.6 | 171.8 | -164.7 | -100.1 | 0 | 0 | 0 | 113.2 | V686 M690 N727 A730 C731 I734 G735 N736 C740 Q741 L742 L790 | V686-F738 HydrophobicContact CG1-CD2 4.45Å; M690-F738 HydrophobicContact SD-CE2 4.48Å; N727-F738 HydrophobicContact CB-CZ 4.09Å; N727-F738 WeakPolarHBondContact O-CZ 3.44Å; A730-F738 HydrophobicContact CB-CE2 3.88Å; C731-F738 HydrophobicContact CB-CB 4.48Å; C731-F738 HydrophobicContact CB-CD1 3.59Å; C731-F738 HydrophobicContact CB-CD2 4.19Å; C731-F738 HydrophobicContact CB-CE1 3.75Å; C731-F738 HydrophobicContact CB-CE2 4.31Å; C731-F738 HydrophobicContact CB-CG 3.82Å; C731-F738 HydrophobicContact CB-CZ 4.09Å; I734-F738 HydrophobicContact CB-CB 4.41Å; I734-F738 HydrophobicContact CD1-CD2 3.85Å; I734-F738 HydrophobicContact CD1-CE2 4.39Å; I734-F738 HydrophobicContact CG2-CB 4.15Å; G735-F738 WeakPolarHBondContact O-CB 3.2Å; G735-F738 PolarHBondContact O-N 2.9Å; N736-F738 PolarHBondContact O-N 2.77Å; F738-C740 PolarHBondContact O-N 2.95Å; F738-C740 VanDerWaalsContact O-N 3.11Å; F738-Q741 HydrophobicContact CD1-CB 4.48Å; F738-Q741 HydrophobicContact CD2-CB 4.19Å; F738-Q741 HydrophobicContact CD2-CG 4.44Å; F738-Q741 HydrophobicContact CE1-CB 4.2Å; F738-Q741 HydrophobicContact CE1-CG 3.89Å; F738-Q741 HydrophobicContact CE2-CB 3.91Å; F738-Q741 HydrophobicContact CE2-CG 3.68Å; F738-Q741 HydrophobicContact CG-CB 4.47Å; F738-Q741 HydrophobicContact CZ-CB 3.93Å; F738-Q741 HydrophobicContact CZ-CG 3.36Å; F738-Q741 PolarHBondContact O-N 3.04Å; F738-L742 HydrophobicContact CD1-CB 4.17Å; F738-L742 HydrophobicContact CE1-CB 4.36Å; F738-L742 PolarHBondContact O-N 2.97Å; F738-L790 HydrophobicContact CE1-CD1 4.03Å |
| 739 | I | 94.2 | Very high | 95.4 | Very high | 60 Ų | 60 | 32.1 Ų | 32.1 | 31% | 0.308 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -51.9 | -32.1 | 176.5 | -167.2 | 176 | 0 | 0 | 0 | 113.5 | N736 S737 G743 W794 F808 | N736-I739 WeakPolarHBondContact O-CB 3.18Å; N736-I739 WeakPolarHBondContact O-CG2 3.38Å; N736-I739 PolarHBondContact O-N 3.31Å; S737-I739 PolarHBondContact O-N 3.23Å; S737-I739 VanDerWaalsContact O-N 3.14Å; I739-G743 WeakPolarHBondContact O-CA 3.32Å; I739-G743 PolarHBondContact O-N 3.16Å; I739-W794 HydrophobicContact CB-CZ2 4Å; I739-W794 HydrophobicContact CD1-CH2 4.45Å; I739-W794 HydrophobicContact CD1-CZ2 3.83Å; I739-W794 HydrophobicContact CG1-CZ2 3.71Å; I739-F808 HydrophobicContact CD1-CE2 4.25Å; I739-F808 HydrophobicContact CD1-CZ 4.28Å; I739-F808 HydrophobicContact CG1-CE2 4.45Å; I739-F808 HydrophobicContact CG1-CZ 4Å |
| 740 | C | 93.8 | Very high | 95.3 | Very high | 36 Ų | 36 | 32.1 Ų | 32.1 | 24% | 0.243 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66 | -41.5 | 177.7 | 61.9 | 0 | 0 | 0 | 0 | 112.2 | Q683 S737 F738 R744 | Q683-C740 HydrophobicContact CG-CB 4.24Å; S737-C740 PolarHBondContact O-SG 3.09Å; F738-C740 PolarHBondContact O-N 2.95Å; F738-C740 VanDerWaalsContact O-N 3.11Å; C740-R744 PolarHBondContact O-N 2.85Å |
| 741 | Q | 97 | Very high | 95.2 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73 | -46 | 175.7 | 170.9 | 60.2 | 16.7 | 0 | 0 | 110.9 | V686 M690 N694 N727 F738 G743 R744 I745 | V686-Q741 HydrophobicContact CG1-CB 3.79Å; M690-Q741 HydrophobicContact CB-CG 4.47Å; M690-Q741 HydrophobicContact CE-CG 4.36Å; M690-Q741 HydrophobicContact CG-CG 3.97Å; N694-Q741 PolarHBondContact ND2-OE1 3.29Å; N694-Q741 PolarHBondContact OD1-NE2 3.45Å; N727-Q741 PolarHBondContact OD1-NE2 2.85Å; F738-Q741 HydrophobicContact CD1-CB 4.48Å; F738-Q741 HydrophobicContact CD2-CB 4.19Å; F738-Q741 HydrophobicContact CD2-CG 4.44Å; F738-Q741 HydrophobicContact CE1-CB 4.2Å; F738-Q741 HydrophobicContact CE1-CG 3.89Å; F738-Q741 HydrophobicContact CE2-CB 3.91Å; F738-Q741 HydrophobicContact CE2-CG 3.68Å; F738-Q741 HydrophobicContact CG-CB 4.47Å; F738-Q741 HydrophobicContact CZ-CB 3.93Å; F738-Q741 HydrophobicContact CZ-CG 3.36Å; F738-Q741 PolarHBondContact O-N 3.04Å; Q741-G743 VanDerWaalsContact C-N 3.35Å; Q741-G743 PolarHBondContact O-N 3.38Å; Q741-R744 WeakPolarHBondContact O-CB 3.47Å; Q741-R744 PolarHBondContact O-N 3Å; Q741-I745 PolarHBondContact O-N 3.13Å |
| 742 | L | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 178.5 | -177.2 | 63.3 | 0 | 0 | 0 | 110.7 | F738 R744 I745 Y746 L749 L790 W794 F808 | F738-L742 HydrophobicContact CD1-CB 4.17Å; F738-L742 HydrophobicContact CE1-CB 4.36Å; F738-L742 PolarHBondContact O-N 2.97Å; L742-R744 VanDerWaalsContact C-N 3.25Å; L742-R744 PolarHBondContact O-N 3.09Å; L742-I745 PolarHBondContact O-N 3.37Å; L742-I745 VanDerWaalsContact O-N 3.12Å; L742-Y746 HydrophobicContact CD1-CD2 3.99Å; L742-Y746 HydrophobicContact CG-CD2 4.09Å; L742-Y746 WeakPolarHBondContact O-CA 3.39Å; L742-Y746 VanDerWaalsContact O-CB 3.27Å; L742-Y746 WeakPolarHBondContact O-CB 3.31Å; L742-Y746 PolarHBondContact O-N 3.38Å; L742-L749 HydrophobicContact CD1-CD1 4.02Å; L742-L790 HydrophobicContact CD1-CD2 4.36Å; L742-L790 HydrophobicContact CD1-CG 4.41Å; L742-W794 HydrophobicContact CD2-CB 3.98Å; L742-W794 HydrophobicContact CD2-CD2 3.34Å; L742-W794 HydrophobicContact CD2-CE3 3.43Å; L742-W794 VanDerWaalsContact CD2-CE3 3.43Å; L742-W794 HydrophobicContact CD2-CG 3.57Å; L742-W794 HydrophobicContact CD2-CZ3 4.09Å; L742-F808 HydrophobicContact CD2-CD1 4.3Å; L742-F808 HydrophobicContact CD2-CE1 4.08Å; L742-F808 HydrophobicContact CG-CE1 4.23Å |
| 743 | G | 94 | Very high | 95 | Very high | 43 Ų | 43 | 31.5 Ų | 31.5 | 44% | 0.443 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.4 | -33.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I739 Q741 | I739-G743 WeakPolarHBondContact O-CA 3.32Å; I739-G743 PolarHBondContact O-N 3.16Å; Q741-G743 VanDerWaalsContact C-N 3.35Å; Q741-G743 PolarHBondContact O-N 3.38Å |
| 744 | R | 95.1 | Very high | 95 | Very high | 138 Ų | 138 | 36.5 Ų | 36.5 | 52% | 0.521 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.6 | -45 | 174.4 | 177.8 | -171.7 | 174.1 | 124.2 | -2.4 | 112.1 | D698 C740 Q741 L742 | D698-R744 IonicContact OD1-NH2 3.59Å; D698-R744 IonicContact OD2-CZ 3.67Å; D698-R744 IonicContact OD2-NH2 3.18Å; D698-R744 PolarHBondContact OD2-NH2 3.31Å; C740-R744 PolarHBondContact O-N 2.85Å; Q741-R744 WeakPolarHBondContact O-CB 3.47Å; Q741-R744 PolarHBondContact O-N 3Å; L742-R744 VanDerWaalsContact C-N 3.25Å; L742-R744 PolarHBondContact O-N 3.09Å |
| 745 | I | 96.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -100.7 | -6.4 | -171.4 | 64.4 | 173.3 | 0 | 0 | 0 | 113.6 | W697 Q741 L742 L747 D748 L749 L790 | W697-I745 HydrophobicContact CZ2-CB 4.42Å; Q741-I745 PolarHBondContact O-N 3.13Å; L742-I745 PolarHBondContact O-N 3.37Å; L742-I745 VanDerWaalsContact O-N 3.12Å; I745-L747 PolarHBondContact O-N 3.3Å; I745-D748 PolarHBondContact O-N 3.13Å; I745-L749 HydrophobicContact CB-CD1 4.5Å; I745-L749 HydrophobicContact CB-CG 4.44Å; I745-L749 HydrophobicContact CD1-CD1 3.78Å; I745-L749 HydrophobicContact CD1-CD2 4.44Å; I745-L749 HydrophobicContact CD1-CG 4.23Å; I745-L749 HydrophobicContact CG1-CD1 3.69Å; I745-L749 HydrophobicContact CG1-CG 4.13Å; I745-L749 WeakPolarHBondContact O-CG 3.49Å; I745-L749 PolarHBondContact O-N 3.35Å; I745-L790 HydrophobicContact CD1-CD2 4.38Å |
| 746 | Y | 96.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.7 | -48.5 | -165.6 | -166.5 | -113.9 | 0 | 0 | 0 | 114.6 | L742 D748 L749 L750 I791 F808 P811 | L742-Y746 HydrophobicContact CD1-CD2 3.99Å; L742-Y746 HydrophobicContact CG-CD2 4.09Å; L742-Y746 WeakPolarHBondContact O-CA 3.39Å; L742-Y746 VanDerWaalsContact O-CB 3.27Å; L742-Y746 WeakPolarHBondContact O-CB 3.31Å; L742-Y746 PolarHBondContact O-N 3.38Å; Y746-D748 VanDerWaalsContact C-N 3.33Å; Y746-D748 PolarHBondContact O-N 3.09Å; Y746-L749 WeakPolarHBondContact O-CB 3.47Å; Y746-L749 PolarHBondContact O-N 2.9Å; Y746-L750 HydrophobicContact CD1-CD1 4.22Å; Y746-L750 HydrophobicContact CE1-CD1 3.76Å; Y746-L750 HydrophobicContact CE1-CG 4.4Å; Y746-L750 WeakPolarHBondContact O-CG 3.32Å; Y746-L750 PolarHBondContact O-N 3.01Å; Y746-L750 VanDerWaalsContact O-N 3.13Å; Y746-I791 HydrophobicContact CE2-CD1 3.95Å; Y746-I791 HydrophobicContact CE2-CG1 4.17Å; Y746-F808 AromaticContact CD1-CD1 3.89Å; Y746-F808 HydrophobicContact CD1-CD1 3.89Å; Y746-F808 HydrophobicContact CD1-CE1 4.31Å; Y746-F808 AromaticContact CD2-CD1 3.81Å; Y746-F808 HydrophobicContact CD2-CD1 3.81Å; Y746-F808 HydrophobicContact CD2-CE1 4.18Å; Y746-F808 HydrophobicContact CE1-CB 4.2Å; Y746-F808 AromaticContact CE1-CD1 3.77Å; Y746-F808 HydrophobicContact CE1-CD1 3.77Å; Y746-F808 HydrophobicContact CE1-CG 4.34Å; Y746-F808 AromaticContact CE2-CD1 3.71Å; Y746-F808 HydrophobicContact CE2-CD1 3.71Å; Y746-F808 AromaticContact CG-CD1 3.9Å; Y746-F808 HydrophobicContact CG-CD1 3.9Å; Y746-F808 HydrophobicContact CG-CE1 4.08Å; Y746-F808 AromaticContact CZ-CD1 3.68Å; Y746-F808 VanDerWaalsContact OH-C 3.29Å; Y746-F808 PolarHBondContact OH-O 2.83Å; Y746-P811 HydrophobicContact CE1-CB 4.49Å |
| 747 | L | 94.6 | Very high | 94.8 | Very high | 119 Ų | 119 | 35.5 Ų | 35.5 | 62% | 0.623 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -67.2 | -37.7 | -179.1 | -64.5 | 179.3 | 0 | 0 | 0 | 111.4 | I745 L750 N751 | I745-L747 PolarHBondContact O-N 3.3Å; L747-L750 PolarHBondContact O-N 3.01Å; L747-N751 PolarHBondContact O-N 2.74Å; L747-N751 PolarHBondContact O-ND2 2.95Å |
| 748 | D | 95.2 | Very high | 94.8 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.7 | -39 | 175.5 | -66 | -25.1 | 0 | 0 | 0 | 111.2 | W697 I701 I745 Y746 L750 N751 V752 | W697-D748 HydrophobicContact CZ2-CB 3.72Å; I701-D748 HydrophobicContact CD1-CB 4.13Å; I701-D748 HydrophobicContact CG1-CB 4.31Å; I745-D748 PolarHBondContact O-N 3.13Å; Y746-D748 VanDerWaalsContact C-N 3.33Å; Y746-D748 PolarHBondContact O-N 3.09Å; D748-L750 VanDerWaalsContact C-N 3.34Å; D748-L750 PolarHBondContact O-N 3.33Å; D748-N751 PolarHBondContact O-N 3.43Å; D748-V752 WeakPolarHBondContact O-CB 3.29Å; D748-V752 VanDerWaalsContact O-CG2 3.28Å; D748-V752 WeakPolarHBondContact O-CG2 3.39Å; D748-V752 PolarHBondContact O-N 2.81Å |
| 749 | L | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.5 | -47.5 | 173.2 | -73 | 169.8 | 0 | 0 | 0 | 111.3 | W697 L724 L742 I745 Y746 N751 V752 Y753 I787 L790 | W697-L749 HydrophobicContact CH2-CD2 3.39Å; W697-L749 HydrophobicContact CH2-CG 3.99Å; W697-L749 HydrophobicContact CZ2-CD2 4.03Å; W697-L749 HydrophobicContact CZ2-CG 4.14Å; W697-L749 HydrophobicContact CZ3-CD2 3.99Å; L724-L749 HydrophobicContact CD2-CD2 3.32Å; L742-L749 HydrophobicContact CD1-CD1 4.02Å; I745-L749 HydrophobicContact CB-CD1 4.5Å; I745-L749 HydrophobicContact CB-CG 4.44Å; I745-L749 HydrophobicContact CD1-CD1 3.78Å; I745-L749 HydrophobicContact CD1-CD2 4.44Å; I745-L749 HydrophobicContact CD1-CG 4.23Å; I745-L749 HydrophobicContact CG1-CD1 3.69Å; I745-L749 HydrophobicContact CG1-CG 4.13Å; I745-L749 WeakPolarHBondContact O-CG 3.49Å; I745-L749 PolarHBondContact O-N 3.35Å; Y746-L749 WeakPolarHBondContact O-CB 3.47Å; Y746-L749 PolarHBondContact O-N 2.9Å; L749-N751 VanDerWaalsContact C-N 3.34Å; L749-N751 PolarHBondContact O-N 3.34Å; L749-V752 PolarHBondContact O-N 2.67Å; L749-Y753 WeakPolarHBondContact O-CB 3.5Å; L749-Y753 PolarHBondContact O-N 2.87Å; L749-I787 HydrophobicContact CB-CG2 4.29Å; L749-I787 HydrophobicContact CD2-CD1 4.45Å; L749-I787 HydrophobicContact CD2-CG1 3.92Å; L749-I787 HydrophobicContact CD2-CG2 4.5Å; L749-L790 HydrophobicContact CD1-CD2 4.05Å |
| 750 | L | 95.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 178.5 | -64.7 | -179.1 | 0 | 0 | 0 | 111.9 | Y746 L747 D748 Y753 K754 P811 L812 | Y746-L750 HydrophobicContact CD1-CD1 4.22Å; Y746-L750 HydrophobicContact CE1-CD1 3.76Å; Y746-L750 HydrophobicContact CE1-CG 4.4Å; Y746-L750 WeakPolarHBondContact O-CG 3.32Å; Y746-L750 PolarHBondContact O-N 3.01Å; Y746-L750 VanDerWaalsContact O-N 3.13Å; L747-L750 PolarHBondContact O-N 3.01Å; D748-L750 VanDerWaalsContact C-N 3.34Å; D748-L750 PolarHBondContact O-N 3.33Å; L750-Y753 PolarHBondContact O-N 2.89Å; L750-K754 WeakPolarHBondContact O-CB 3.46Å; L750-K754 PolarHBondContact O-N 3.44Å; L750-P811 HydrophobicContact CD1-CB 3.67Å; L750-L812 HydrophobicContact CD2-CD1 3.86Å |
| 751 | N | 94 | Very high | 94.4 | Very high | 93 Ų | 93 | 39.4 Ų | 39.4 | 50% | 0.497 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 175.2 | -73.4 | -34.8 | 0 | 0 | 0 | 112.1 | L747 D748 L749 Y753 K754 V755 | L747-N751 PolarHBondContact O-N 2.74Å; L747-N751 PolarHBondContact O-ND2 2.95Å; D748-N751 PolarHBondContact O-N 3.43Å; L749-N751 VanDerWaalsContact C-N 3.34Å; L749-N751 PolarHBondContact O-N 3.34Å; N751-Y753 VanDerWaalsContact C-N 3.35Å; N751-Y753 PolarHBondContact O-N 3.48Å; N751-K754 PolarHBondContact O-N 3.37Å; N751-V755 WeakPolarHBondContact O-CG2 3.41Å; N751-V755 PolarHBondContact O-N 3.4Å |
| 752 | V | 95.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 175.8 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | W697 I701 L711 L720 D748 L749 K754 T756 V783 I787 | W697-V752 HydrophobicContact CH2-CG2 4.23Å; I701-V752 HydrophobicContact CD1-CG2 3.67Å; L711-V752 HydrophobicContact CD1-CG2 4.48Å; L720-V752 HydrophobicContact CD1-CG1 4.36Å; D748-V752 WeakPolarHBondContact O-CB 3.29Å; D748-V752 VanDerWaalsContact O-CG2 3.28Å; D748-V752 WeakPolarHBondContact O-CG2 3.39Å; D748-V752 PolarHBondContact O-N 2.81Å; L749-V752 PolarHBondContact O-N 2.67Å; V752-K754 PolarHBondContact O-N 3.5Å; V752-T756 HydrophobicContact CG1-CG2 4.25Å; V752-T756 WeakPolarHBondContact O-CB 3.42Å; V752-T756 VanDerWaalsContact O-CG2 3.29Å; V752-T756 WeakPolarHBondContact O-CG2 3.34Å; V752-T756 PolarHBondContact O-N 3.47Å; V752-T756 PolarHBondContact O-OG1 3.48Å; V752-V783 HydrophobicContact CG1-CG1 3.87Å; V752-I787 HydrophobicContact CB-CD1 4.48Å; V752-I787 HydrophobicContact CG1-CD1 4.21Å |
| 753 | Y | 95.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.6 | -48.6 | 174.6 | -177.8 | -79.4 | 0 | 0 | 0 | 111.3 | L749 L750 N751 T756 S757 K784 I787 L788 T815 V816 D819 | L749-Y753 WeakPolarHBondContact O-CB 3.5Å; L749-Y753 PolarHBondContact O-N 2.87Å; L750-Y753 PolarHBondContact O-N 2.89Å; N751-Y753 VanDerWaalsContact C-N 3.35Å; N751-Y753 PolarHBondContact O-N 3.48Å; Y753-T756 PolarHBondContact O-OG1 3.2Å; Y753-S757 WeakPolarHBondContact O-CB 3.28Å; Y753-S757 PolarHBondContact O-N 2.79Å; Y753-K784 HydrophobicContact CD2-CB 3.97Å; Y753-K784 HydrophobicContact CD2-CG 4Å; Y753-K784 HydrophobicContact CE2-CB 3.74Å; Y753-K784 HydrophobicContact CE2-CD 4.35Å; Y753-K784 VanDerWaalsContact CE2-CE 3.44Å; Y753-K784 HydrophobicContact CE2-CG 3.98Å; Y753-K784 WeakPolarHBondContact OH-CE 3.43Å; Y753-K784 PolarHBondContact OH-NZ 2.83Å; Y753-I787 HydrophobicContact CD2-CG2 4.46Å; Y753-L788 HydrophobicContact CE2-CD1 4Å; Y753-L788 HydrophobicContact CE2-CD2 4.25Å; Y753-L788 HydrophobicContact CE2-CG 4.01Å; Y753-T815 HydrophobicContact CD1-CG2 3.9Å; Y753-V816 HydrophobicContact CD1-CG2 4.23Å; Y753-V816 HydrophobicContact CE1-CB 4.45Å; Y753-V816 HydrophobicContact CE1-CG2 3.84Å; Y753-V816 HydrophobicContact CE2-CG2 4.33Å; Y753-D819 HydrophobicContact CE1-CB 4.33Å; Y753-D819 WeakPolarHBondContact CE1-OD2 3.39Å; Y753-D819 PolarHBondContact OH-OD2 3.47Å; Y753-D819 VanDerWaalsContact OH-OD2 3.09Å |
| 754 | K | 94.1 | Very high | 93.8 | Very high | 110 Ų | 110 | 41 Ų | 41 | 48% | 0.478 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.3 | -50.9 | -179.3 | -177 | 178.8 | 176.9 | -179.4 | 0 | 111.9 | L750 N751 V752 S757 E758 T815 | L750-K754 WeakPolarHBondContact O-CB 3.46Å; L750-K754 PolarHBondContact O-N 3.44Å; N751-K754 PolarHBondContact O-N 3.37Å; V752-K754 PolarHBondContact O-N 3.5Å; K754-S757 PolarHBondContact O-N 3.47Å; K754-E758 WeakPolarHBondContact CE-OE1 3.43Å; K754-E758 WeakPolarHBondContact O-CG 3.29Å; K754-E758 PolarHBondContact O-N 2.92Å; K754-T815 HydrophobicContact CB-CG2 4.21Å |
| 755 | V | 93.2 | Very high | 93.6 | Very high | 33 Ų | 33 | 40.3 Ų | 40.3 | 20% | 0.2 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -48.5 | -179.4 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | V708 L711 N751 S757 E758 K759 | V708-V755 HydrophobicContact CG1-CB 4.34Å; V708-V755 HydrophobicContact CG1-CG1 3.25Å; V708-V755 HydrophobicContact CG1-CG2 4.11Å; L711-V755 HydrophobicContact CD1-CB 4.07Å; L711-V755 HydrophobicContact CD1-CG1 3.68Å; N751-V755 WeakPolarHBondContact O-CG2 3.41Å; N751-V755 PolarHBondContact O-N 3.4Å; V755-S757 VanDerWaalsContact C-N 3.25Å; V755-S757 PolarHBondContact O-N 3.1Å; V755-E758 PolarHBondContact O-N 2.84Å; V755-K759 HydrophobicContact CG1-CG 4.44Å; V755-K759 VanDerWaalsContact O-CG 3.29Å; V755-K759 WeakPolarHBondContact O-CG 3.35Å; V755-K759 PolarHBondContact O-N 3.46Å |
| 756 | T | 92.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 179.4 | 51.4 | 0 | 0 | 0 | 0 | 111 | V752 Y753 K759 I760 V783 | V752-T756 HydrophobicContact CG1-CG2 4.25Å; V752-T756 WeakPolarHBondContact O-CB 3.42Å; V752-T756 VanDerWaalsContact O-CG2 3.29Å; V752-T756 WeakPolarHBondContact O-CG2 3.34Å; V752-T756 PolarHBondContact O-N 3.47Å; V752-T756 PolarHBondContact O-OG1 3.48Å; Y753-T756 PolarHBondContact O-OG1 3.2Å; T756-K759 PolarHBondContact O-N 3.38Å; T756-I760 WeakPolarHBondContact O-CD1 3.13Å; T756-I760 WeakPolarHBondContact O-CG1 3.23Å; T756-I760 PolarHBondContact O-N 3.12Å; T756-V783 HydrophobicContact CG2-CG1 4.43Å |
| 757 | S | 92.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.8 | -49.3 | 175.2 | -155.4 | 0 | 0 | 0 | 0 | 112.8 | Y753 K754 V755 K759 I760 S761 K784 D819 | Y753-S757 WeakPolarHBondContact O-CB 3.28Å; Y753-S757 PolarHBondContact O-N 2.79Å; K754-S757 PolarHBondContact O-N 3.47Å; V755-S757 VanDerWaalsContact C-N 3.25Å; V755-S757 PolarHBondContact O-N 3.1Å; S757-K759 PolarHBondContact O-N 2.61Å; S757-I760 PolarHBondContact O-N 2.92Å; S757-S761 PolarHBondContact O-N 3.36Å; S757-S761 PolarHBondContact O-OG 3.25Å; S757-K784 PolarHBondContact OG-NZ 3.15Å; S757-D819 VanDerWaalsContact CB-OD1 3.29Å; S757-D819 WeakPolarHBondContact CB-OD1 3.31Å; S757-D819 PolarHBondContact OG-OD1 3.49Å; S757-D819 PolarHBondContact OG-OD2 3.4Å; S757-D819 VanDerWaalsContact OG-OD2 3.05Å |
| 758 | E | 92.8 | Very high | 92.9 | Very high | 113 Ų | 113 | 46.2 Ų | 46.2 | 53% | 0.528 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.2 | -39.3 | 177.5 | -73.2 | 174.8 | -178.2 | 0 | 0 | 111.9 | K754 V755 A762 | K754-E758 WeakPolarHBondContact CE-OE1 3.43Å; K754-E758 WeakPolarHBondContact O-CG 3.29Å; K754-E758 PolarHBondContact O-N 2.92Å; V755-E758 PolarHBondContact O-N 2.84Å; E758-A762 VanDerWaalsContact O-CB 3.25Å; E758-A762 WeakPolarHBondContact O-CB 3.36Å; E758-A762 PolarHBondContact O-N 3.47Å |
| 759 | K | 92 | Very high | 92.6 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 24% | 0.243 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 175 | -68.5 | -68.3 | -175.4 | 170.6 | 0 | 112.7 | E709 T712 V755 T756 S757 A762 A763 M780 | E709-K759 IonicContact OE1-NZ 2.75Å; E709-K759 PolarHBondContact OE1-NZ 2.97Å; E709-K759 IonicContact OE2-NZ 3.15Å; E709-K759 PolarHBondContact OE2-NZ 2.89Å; T712-K759 HydrophobicContact CG2-CD 4.1Å; T712-K759 HydrophobicContact CG2-CG 4.11Å; V755-K759 HydrophobicContact CG1-CG 4.44Å; V755-K759 VanDerWaalsContact O-CG 3.29Å; V755-K759 WeakPolarHBondContact O-CG 3.35Å; V755-K759 PolarHBondContact O-N 3.46Å; T756-K759 PolarHBondContact O-N 3.38Å; S757-K759 PolarHBondContact O-N 2.61Å; K759-A762 PolarHBondContact O-N 2.98Å; K759-A763 WeakPolarHBondContact O-CB 3.24Å; K759-A763 PolarHBondContact O-N 3.02Å; K759-M780 HydrophobicContact CB-SD 4.35Å |
| 760 | I | 92.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 175.3 | -66.7 | 160.2 | 0 | 0 | 0 | 110 | T756 S757 A762 A763 V764 L772 I777 M780 R781 K784 A827 | T756-I760 WeakPolarHBondContact O-CD1 3.13Å; T756-I760 WeakPolarHBondContact O-CG1 3.23Å; T756-I760 PolarHBondContact O-N 3.12Å; S757-I760 PolarHBondContact O-N 2.92Å; I760-A762 VanDerWaalsContact C-N 3.32Å; I760-A762 PolarHBondContact O-N 3.07Å; I760-A763 PolarHBondContact O-N 2.75Å; I760-V764 HydrophobicContact CG2-CG2 4.48Å; I760-V764 WeakPolarHBondContact O-CG2 3.46Å; I760-V764 PolarHBondContact O-N 3.37Å; I760-L772 HydrophobicContact CG2-CD2 3.93Å; I760-I777 HydrophobicContact CG1-CG2 4.24Å; I760-I777 HydrophobicContact CG2-CG2 4.13Å; I760-M780 HydrophobicContact CD1-CB 3.97Å; I760-M780 HydrophobicContact CG1-CB 4.07Å; I760-M780 HydrophobicContact CG1-CE 4.29Å; I760-R781 HydrophobicContact CD1-CG 3.82Å; I760-K784 HydrophobicContact CD1-CD 3.85Å; I760-A827 HydrophobicContact CG2-CB 4.46Å |
| 761 | S | 91.8 | Very high | 92 | Very high | 36 Ų | 36 | 51.5 Ų | 51.5 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 179.8 | -44.8 | 0 | 0 | 0 | 0 | 111.5 | S757 V764 T765 N823 | S757-S761 PolarHBondContact O-N 3.36Å; S757-S761 PolarHBondContact O-OG 3.25Å; S761-V764 PolarHBondContact O-N 2.6Å; S761-T765 WeakPolarHBondContact O-CB 3.19Å; S761-T765 PolarHBondContact O-N 3.25Å; S761-T765 PolarHBondContact O-OG1 3.24Å; S761-N823 PolarHBondContact OG-OD1 3.05Å |
| 762 | A | 91.7 | Very high | 91.8 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E758 K759 I760 V764 T765 V766 | E758-A762 VanDerWaalsContact O-CB 3.25Å; E758-A762 WeakPolarHBondContact O-CB 3.36Å; E758-A762 PolarHBondContact O-N 3.47Å; K759-A762 PolarHBondContact O-N 2.98Å; I760-A762 VanDerWaalsContact C-N 3.32Å; I760-A762 PolarHBondContact O-N 3.07Å; A762-V764 VanDerWaalsContact C-N 3.34Å; A762-V764 PolarHBondContact O-N 3.47Å; A762-T765 PolarHBondContact O-N 3.17Å; A762-V766 WeakPolarHBondContact O-CG2 3.13Å; A762-V766 PolarHBondContact O-N 3.43Å |
| 763 | A | 91.5 | Very high | 91.5 | Very high | 20 Ų | 20 | 56.6 Ų | 56.6 | 17% | 0.165 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K759 I760 V766 N767 I771 I777 | K759-A763 WeakPolarHBondContact O-CB 3.24Å; K759-A763 PolarHBondContact O-N 3.02Å; I760-A763 PolarHBondContact O-N 2.75Å; A763-V766 PolarHBondContact O-N 3.24Å; A763-N767 WeakPolarHBondContact O-CB 3.3Å; A763-N767 PolarHBondContact O-N 3.25Å; A763-N767 PolarHBondContact O-ND2 3.04Å; A763-I771 HydrophobicContact CB-CG1 4.48Å; A763-I771 HydrophobicContact CB-CG2 4.36Å; A763-I777 HydrophobicContact CB-CD1 3.8Å |
| 764 | V | 91.9 | Very high | 91.2 | Very high | 10 Ų | 10 | 61.4 Ų | 61.4 | 6% | 0.061 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -42.6 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | I760 S761 A762 V766 G768 E769 I771 L772 V824 | I760-V764 HydrophobicContact CG2-CG2 4.48Å; I760-V764 WeakPolarHBondContact O-CG2 3.46Å; I760-V764 PolarHBondContact O-N 3.37Å; S761-V764 PolarHBondContact O-N 2.6Å; A762-V764 VanDerWaalsContact C-N 3.34Å; A762-V764 PolarHBondContact O-N 3.47Å; V764-V766 VanDerWaalsContact C-N 3.27Å; V764-V766 PolarHBondContact O-N 3.01Å; V764-G768 CarbonylContact O-C 3.58Å; V764-G768 WeakPolarHBondContact O-CA 3.37Å; V764-G768 PolarHBondContact O-N 3.48Å; V764-E769 HydrophobicContact CG1-CG 4.46Å; V764-I771 HydrophobicContact CB-CG2 4.48Å; V764-I771 HydrophobicContact CG2-CG2 3.86Å; V764-L772 HydrophobicContact CG2-CD1 4.25Å; V764-L772 HydrophobicContact CG2-CD2 3.67Å; V764-L772 HydrophobicContact CG2-CG 3.84Å; V764-V824 HydrophobicContact CG1-CG1 4.06Å; V764-V824 HydrophobicContact CG1-CG2 3.72Å |
| 765 | T | 90.8 | Very high | 91 | Very high | 122 Ų | 122 | 61 Ų | 61 | 75% | 0.748 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.9 | -37 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | S761 A762 | S761-T765 WeakPolarHBondContact O-CB 3.19Å; S761-T765 PolarHBondContact O-N 3.25Å; S761-T765 PolarHBondContact O-OG1 3.24Å; A762-T765 PolarHBondContact O-N 3.17Å |
| 766 | V | 91.3 | Very high | 90.8 | Very high | 116 Ų | 116 | 61.3 Ų | 61.3 | 70% | 0.703 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -80.7 | -40.6 | -178.6 | 174.7 | 0 | 0 | 0 | 0 | 112.7 | A762 A763 V764 | A762-V766 WeakPolarHBondContact O-CG2 3.13Å; A762-V766 PolarHBondContact O-N 3.43Å; A763-V766 PolarHBondContact O-N 3.24Å; V764-V766 VanDerWaalsContact C-N 3.27Å; V764-V766 PolarHBondContact O-N 3.01Å |
| 767 | N | 91.2 | Very high | 90.7 | Very high | 102 Ų | 102 | 61.8 Ų | 61.8 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -113.5 | -2.2 | -168.2 | -57.6 | -73.2 | 0 | 0 | 0 | 114.5 | A763 I771 | A763-N767 WeakPolarHBondContact O-CB 3.3Å; A763-N767 PolarHBondContact O-N 3.25Å; A763-N767 PolarHBondContact O-ND2 3.04Å; N767-I771 HydrophobicContact CB-CB 4Å; N767-I771 HydrophobicContact CB-CD1 3.88Å; N767-I771 HydrophobicContact CB-CG1 4.16Å |
| 768 | G | 90 | Very high | 90.6 | Very high | 37 Ų | 37 | 70.5 Ų | 70.5 | 38% | 0.381 | 40% | 0.396 | S | S | . | . | trans | 76.2 | 177.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V764 G770 I771 | V764-G768 CarbonylContact O-C 3.58Å; V764-G768 WeakPolarHBondContact O-CA 3.37Å; V764-G768 PolarHBondContact O-N 3.48Å; G768-G770 PolarHBondContact O-N 3.31Å; G768-I771 VanDerWaalsContact O-CG2 3.28Å; G768-I771 WeakPolarHBondContact O-CG2 3.38Å; G768-I771 PolarHBondContact O-N 3.4Å | ||
| 769 | E | 88.9 | Confident | 90.5 | Very high | 97 Ų | 97 | 67.4 Ų | 67.4 | 45% | 0.453 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -65.3 | -22.6 | -174 | -61.2 | -175.4 | -174.3 | 0 | 0 | 113.9 | V764 I771 L772 V824 | V764-E769 HydrophobicContact CG1-CG 4.46Å; E769-I771 PolarHBondContact O-N 2.96Å; E769-I771 VanDerWaalsContact O-N 3.1Å; E769-L772 HydrophobicContact CB-CD1 4.43Å; E769-L772 WeakPolarHBondContact O-CB 3.45Å; E769-L772 WeakPolarHBondContact O-CG 3.5Å; E769-L772 PolarHBondContact O-N 3.28Å; E769-L772 VanDerWaalsContact O-N 3.07Å; E769-V824 HydrophobicContact CG-CG2 4.32Å |
| 770 | G | 87.5 | Confident | 90.5 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 58% | 0.577 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -58.3 | -25 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G768 L772 K773 | G768-G770 PolarHBondContact O-N 3.31Å; G770-L772 PolarHBondContact O-N 3.4Å; G770-K773 PolarHBondContact O-N 3.49Å |
| 771 | I | 91.1 | Very high | 90.5 | Very high | 19 Ų | 19 | 67.9 Ų | 67.9 | 10% | 0.097 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -63.6 | -25.7 | 177.8 | -156.7 | 75 | 0 | 0 | 0 | 112.8 | A763 V764 N767 G768 E769 K773 Q774 I777 | A763-I771 HydrophobicContact CB-CG1 4.48Å; A763-I771 HydrophobicContact CB-CG2 4.36Å; V764-I771 HydrophobicContact CB-CG2 4.48Å; V764-I771 HydrophobicContact CG2-CG2 3.86Å; N767-I771 HydrophobicContact CB-CB 4Å; N767-I771 HydrophobicContact CB-CD1 3.88Å; N767-I771 HydrophobicContact CB-CG1 4.16Å; G768-I771 VanDerWaalsContact O-CG2 3.28Å; G768-I771 WeakPolarHBondContact O-CG2 3.38Å; G768-I771 PolarHBondContact O-N 3.4Å; E769-I771 PolarHBondContact O-N 2.96Å; E769-I771 VanDerWaalsContact O-N 3.1Å; I771-K773 PolarHBondContact O-N 3.18Å; I771-K773 VanDerWaalsContact O-N 3.1Å; I771-Q774 HydrophobicContact CD1-CG 4.11Å; I771-Q774 WeakPolarHBondContact O-CB 3.22Å; I771-Q774 PolarHBondContact O-N 3.47Å; I771-I777 HydrophobicContact CG1-CG1 3.98Å; I771-I777 WeakPolarHBondContact O-CG1 3.3Å |
| 772 | L | 88.6 | Confident | 90.6 | Very high | 15 Ų | 15 | 67.1 Ų | 67.1 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -62.6 | -19.8 | -179.5 | -66 | 167.1 | 0 | 0 | 0 | 112.7 | I760 V764 E769 G770 I777 A826 A827 | I760-L772 HydrophobicContact CG2-CD2 3.93Å; V764-L772 HydrophobicContact CG2-CD1 4.25Å; V764-L772 HydrophobicContact CG2-CD2 3.67Å; V764-L772 HydrophobicContact CG2-CG 3.84Å; E769-L772 HydrophobicContact CB-CD1 4.43Å; E769-L772 WeakPolarHBondContact O-CB 3.45Å; E769-L772 WeakPolarHBondContact O-CG 3.5Å; E769-L772 PolarHBondContact O-N 3.28Å; E769-L772 VanDerWaalsContact O-N 3.07Å; G770-L772 PolarHBondContact O-N 3.4Å; L772-I777 HydrophobicContact CD2-CG2 3.9Å; L772-A826 HydrophobicContact CD1-CB 3.43Å; L772-A826 VanDerWaalsContact CD1-CB 3.43Å; L772-A827 HydrophobicContact CD1-CB 4.18Å; L772-A827 HydrophobicContact CD2-CB 3.98Å |
| 773 | K | 89.1 | Confident | 90.8 | Very high | 188 Ų | 188 | 64.7 Ų | 64.7 | 82% | 0.817 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -81.5 | -13.1 | 175.8 | -61.6 | -175.7 | -179.6 | -178.8 | 0 | 113.1 | G770 I771 | G770-K773 PolarHBondContact O-N 3.49Å; I771-K773 PolarHBondContact O-N 3.18Å; I771-K773 VanDerWaalsContact O-N 3.1Å |
| 774 | Q | 90.9 | Very high | 90.9 | Very high | 103 Ų | 103 | 63.9 Ų | 63.9 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -70.2 | 141.1 | 179 | -68.9 | -165.1 | -3.8 | 0 | 0 | 111.4 | I771 A776 I777 R778 | I771-Q774 HydrophobicContact CD1-CG 4.11Å; I771-Q774 WeakPolarHBondContact O-CB 3.22Å; I771-Q774 PolarHBondContact O-N 3.47Å; Q774-A776 VanDerWaalsContact C-N 3.3Å; Q774-A776 PolarHBondContact O-N 2.79Å; Q774-I777 HydrophobicContact CB-CG1 4.49Å; Q774-I777 PolarHBondContact O-N 3.47Å; Q774-R778 PolarHBondContact O-N 3.32Å |
| 775 | P | 89.3 | Confident | 91.1 | Very high | 103 Ų | 103 | 64.3 Ų | 64.3 | 67% | 0.669 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -53.3 | -41.7 | -178.4 | -28.6 | 35.1 | 0 | 0 | 0 | 114.3 | R778 C779 | P775-R778 PolarHBondContact O-N 3.06Å; P775-C779 WeakPolarHBondContact O-CB 3.41Å; P775-C779 PolarHBondContact O-N 3.03Å; P775-C779 PolarHBondContact O-SG 2.71Å |
| 776 | A | 88.7 | Confident | 91.3 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q774 C779 M780 | Q774-A776 VanDerWaalsContact C-N 3.3Å; Q774-A776 PolarHBondContact O-N 2.79Å; A776-C779 PolarHBondContact O-N 3.02Å; A776-M780 PolarHBondContact O-N 3.24Å; A776-M780 VanDerWaalsContact O-N 3.07Å |
| 777 | I | 91.2 | Very high | 91.6 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 6% | 0.062 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.5 | -53.8 | -54.1 | 0 | 0 | 0 | 110.7 | I760 A763 I771 L772 Q774 C779 M780 R781 | I760-I777 HydrophobicContact CG1-CG2 4.24Å; I760-I777 HydrophobicContact CG2-CG2 4.13Å; A763-I777 HydrophobicContact CB-CD1 3.8Å; I771-I777 HydrophobicContact CG1-CG1 3.98Å; I771-I777 WeakPolarHBondContact O-CG1 3.3Å; L772-I777 HydrophobicContact CD2-CG2 3.9Å; Q774-I777 HydrophobicContact CB-CG1 4.49Å; Q774-I777 PolarHBondContact O-N 3.47Å; I777-C779 VanDerWaalsContact C-N 3.34Å; I777-C779 PolarHBondContact O-N 3.03Å; I777-M780 HydrophobicContact CD1-CE 3.28Å; I777-M780 HydrophobicContact CG1-CE 4.4Å; I777-M780 PolarHBondContact O-N 3.11Å; I777-R781 WeakPolarHBondContact O-CG 3.44Å; I777-R781 PolarHBondContact O-N 3.08Å |
| 778 | R | 90.9 | Very high | 91.9 | Very high | 185 Ų | 185 | 49.3 Ų | 49.3 | 70% | 0.698 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.9 | -40.6 | 177 | -170.1 | 179.2 | -178.6 | 173.8 | 1.1 | 112.1 | Q774 P775 R781 G782 | Q774-R778 PolarHBondContact O-N 3.32Å; P775-R778 PolarHBondContact O-N 3.06Å; R778-R781 WeakPolarHBondContact O-CB 3.29Å; R778-R781 PolarHBondContact O-N 3.18Å; R778-G782 PolarHBondContact O-N 2.5Å |
| 779 | C | 90.4 | Very high | 92.2 | Very high | 47 Ų | 47 | 51 Ų | 51 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 174.6 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | V717 I721 P775 A776 I777 R781 G782 V783 | V717-C779 HydrophobicContact CB-CB 4.41Å; V717-C779 HydrophobicContact CG1-CB 3.49Å; V717-C779 VanDerWaalsContact CG1-CB 3.49Å; V717-C779 WeakPolarHBondContact CG1-O 2.96Å; I721-C779 HydrophobicContact CD1-CB 4.41Å; P775-C779 WeakPolarHBondContact O-CB 3.41Å; P775-C779 PolarHBondContact O-N 3.03Å; P775-C779 PolarHBondContact O-SG 2.71Å; A776-C779 PolarHBondContact O-N 3.02Å; I777-C779 VanDerWaalsContact C-N 3.34Å; I777-C779 PolarHBondContact O-N 3.03Å; C779-R781 VanDerWaalsContact C-N 3.3Å; C779-R781 PolarHBondContact O-N 3.39Å; C779-G782 WeakPolarHBondContact O-CA 3.28Å; C779-G782 PolarHBondContact O-N 2.99Å; C779-V783 PolarHBondContact O-N 2.9Å |
| 780 | M | 92.6 | Very high | 92.6 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 4% | 0.044 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | 175 | -72.4 | -171.2 | -68.3 | 0 | 0 | 112.1 | T712 V717 K759 I760 A776 I777 G782 V783 K784 | T712-M780 HydrophobicContact CG2-SD 4.18Å; V717-M780 HydrophobicContact CG1-CG 4.35Å; V717-M780 HydrophobicContact CG2-CG 4.08Å; K759-M780 HydrophobicContact CB-SD 4.35Å; I760-M780 HydrophobicContact CD1-CB 3.97Å; I760-M780 HydrophobicContact CG1-CB 4.07Å; I760-M780 HydrophobicContact CG1-CE 4.29Å; A776-M780 PolarHBondContact O-N 3.24Å; A776-M780 VanDerWaalsContact O-N 3.07Å; I777-M780 HydrophobicContact CD1-CE 3.28Å; I777-M780 HydrophobicContact CG1-CE 4.4Å; I777-M780 PolarHBondContact O-N 3.11Å; M780-G782 VanDerWaalsContact C-N 3.33Å; M780-V783 WeakPolarHBondContact O-CB 3.48Å; M780-V783 PolarHBondContact O-N 2.83Å; M780-K784 PolarHBondContact O-N 3.4Å |
| 781 | R | 92.4 | Very high | 93.1 | Very high | 59 Ų | 59 | 43.8 Ų | 43.8 | 22% | 0.223 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 170 | -71.8 | -175.7 | 62 | -171.3 | -3.6 | 111.7 | I760 I777 R778 C779 V783 K784 T785 A826 E829 | I760-R781 HydrophobicContact CD1-CG 3.82Å; I777-R781 WeakPolarHBondContact O-CG 3.44Å; I777-R781 PolarHBondContact O-N 3.08Å; R778-R781 WeakPolarHBondContact O-CB 3.29Å; R778-R781 PolarHBondContact O-N 3.18Å; C779-R781 VanDerWaalsContact C-N 3.3Å; C779-R781 PolarHBondContact O-N 3.39Å; R781-V783 PolarHBondContact O-N 3.48Å; R781-K784 WeakPolarHBondContact O-CA 3.47Å; R781-K784 WeakPolarHBondContact O-CB 3.4Å; R781-K784 PolarHBondContact O-N 3.06Å; R781-T785 PolarHBondContact O-N 3.11Å; R781-T785 PolarHBondContact O-OG1 2.96Å; R781-T785 VanDerWaalsContact O-OG1 3.05Å; R781-A826 PolarHBondContact NH1-O 3.36Å; R781-E829 IonicContact CZ-OE2 3.47Å; R781-E829 IonicContact NE-OE2 2.81Å; R781-E829 PolarHBondContact NE-OE2 2.87Å; R781-E829 IonicContact NH2-OE2 3.32Å; R781-E829 PolarHBondContact NH2-OE2 2.95Å |
| 782 | G | 92.9 | Very high | 93.3 | Very high | 20 Ų | 20 | 43.9 Ų | 43.9 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54 | -38.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | R778 C779 M780 T785 E786 | R778-G782 PolarHBondContact O-N 2.5Å; C779-G782 WeakPolarHBondContact O-CA 3.28Å; C779-G782 PolarHBondContact O-N 2.99Å; M780-G782 VanDerWaalsContact C-N 3.33Å; G782-T785 PolarHBondContact O-N 3.35Å; G782-E786 VanDerWaalsContact O-CG 3.31Å; G782-E786 WeakPolarHBondContact O-CG 3.26Å; G782-E786 PolarHBondContact O-N 2.88Å |
| 783 | V | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -48.7 | 173.2 | 174.6 | 0 | 0 | 0 | 0 | 111 | V717 L720 I721 L724 V752 T756 C779 M780 R781 T785 E786 I787 | V717-V783 HydrophobicContact CG1-CG2 3.64Å; L720-V783 HydrophobicContact CB-CG2 3.99Å; I721-V783 HydrophobicContact CD1-CG2 4.4Å; I721-V783 HydrophobicContact CG1-CG2 3.76Å; L724-V783 HydrophobicContact CD1-CG1 4.07Å; V752-V783 HydrophobicContact CG1-CG1 3.87Å; T756-V783 HydrophobicContact CG2-CG1 4.43Å; C779-V783 PolarHBondContact O-N 2.9Å; M780-V783 WeakPolarHBondContact O-CB 3.48Å; M780-V783 PolarHBondContact O-N 2.83Å; R781-V783 PolarHBondContact O-N 3.48Å; V783-T785 VanDerWaalsContact C-N 3.34Å; V783-T785 PolarHBondContact O-N 3.45Å; V783-E786 PolarHBondContact O-N 2.96Å; V783-I787 HydrophobicContact CG1-CD1 3.88Å; V783-I787 HydrophobicContact CG1-CG1 4.47Å; V783-I787 VanDerWaalsContact O-CG1 3.28Å; V783-I787 WeakPolarHBondContact O-CG1 3.45Å; V783-I787 PolarHBondContact O-N 3.29Å |
| 784 | K | 95 | Very high | 93.9 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57 | -47.3 | 176.6 | -65.6 | -177.7 | 66.9 | -179.1 | 0 | 111.7 | Y753 S757 I760 M780 R781 I787 L788 D819 | Y753-K784 HydrophobicContact CD2-CB 3.97Å; Y753-K784 HydrophobicContact CD2-CG 4Å; Y753-K784 HydrophobicContact CE2-CB 3.74Å; Y753-K784 HydrophobicContact CE2-CD 4.35Å; Y753-K784 VanDerWaalsContact CE2-CE 3.44Å; Y753-K784 HydrophobicContact CE2-CG 3.98Å; Y753-K784 WeakPolarHBondContact OH-CE 3.43Å; Y753-K784 PolarHBondContact OH-NZ 2.83Å; S757-K784 PolarHBondContact OG-NZ 3.15Å; I760-K784 HydrophobicContact CD1-CD 3.85Å; M780-K784 PolarHBondContact O-N 3.4Å; R781-K784 WeakPolarHBondContact O-CA 3.47Å; R781-K784 WeakPolarHBondContact O-CB 3.4Å; R781-K784 PolarHBondContact O-N 3.06Å; K784-I787 PolarHBondContact O-N 3.04Å; K784-L788 WeakPolarHBondContact O-CG 3.47Å; K784-L788 PolarHBondContact O-N 3.27Å; K784-L788 VanDerWaalsContact O-N 3.13Å; K784-D819 IonicContact NZ-OD2 3.4Å; K784-D819 PolarHBondContact NZ-OD2 2.95Å |
| 785 | T | 95.3 | Very high | 94.1 | Very high | 20 Ų | 20 | 30.9 Ų | 30.9 | 12% | 0.123 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.1 | -46.8 | 179.1 | -48.5 | 0 | 0 | 0 | 0 | 111.6 | R781 G782 V783 I787 L788 K789 E829 E831 | R781-T785 PolarHBondContact O-N 3.11Å; R781-T785 PolarHBondContact O-OG1 2.96Å; R781-T785 VanDerWaalsContact O-OG1 3.05Å; G782-T785 PolarHBondContact O-N 3.35Å; V783-T785 VanDerWaalsContact C-N 3.34Å; V783-T785 PolarHBondContact O-N 3.45Å; T785-I787 PolarHBondContact O-N 3.49Å; T785-L788 PolarHBondContact O-N 3.45Å; T785-K789 HydrophobicContact CG2-CD 4.26Å; T785-K789 WeakPolarHBondContact O-CG 2.88Å; T785-K789 PolarHBondContact O-N 3.03Å; T785-E829 VanDerWaalsContact OG1-CD 3.22Å; T785-E829 PolarHBondContact OG1-OE1 3.43Å; T785-E831 HydrophobicContact CG2-CB 4.28Å; T785-E831 HydrophobicContact CG2-CG 4.3Å |
| 786 | E | 95.9 | Very high | 94.3 | Very high | 23 Ų | 23 | 28.9 Ų | 28.9 | 11% | 0.107 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.2 | -31.1 | -178.2 | -65.3 | -59.5 | 153.2 | 0 | 0 | 112.9 | I721 L724 K725 G782 V783 K789 L790 | I721-E786 HydrophobicContact CG2-CG 4.28Å; L724-E786 HydrophobicContact CB-CB 3.72Å; L724-E786 HydrophobicContact CD1-CB 3.89Å; L724-E786 HydrophobicContact CG-CB 4.44Å; K725-E786 VanDerWaalsContact CE-CD 3.41Å; K725-E786 WeakPolarHBondContact CE-OE1 3.4Å; K725-E786 HydrophobicContact CG-CG 4.21Å; K725-E786 WeakPolarHBondContact CG-OE2 3.48Å; K725-E786 IonicContact NZ-OE1 2.73Å; G782-E786 VanDerWaalsContact O-CG 3.31Å; G782-E786 WeakPolarHBondContact O-CG 3.26Å; G782-E786 PolarHBondContact O-N 2.88Å; V783-E786 PolarHBondContact O-N 2.96Å; E786-K789 PolarHBondContact O-N 3.5Å; E786-K789 IonicContact OE1-NZ 3.99Å; E786-L790 WeakPolarHBondContact O-CB 3.3Å; E786-L790 PolarHBondContact O-N 3.2Å |
| 787 | I | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 170.1 | -68.1 | 169 | 0 | 0 | 0 | 110 | L724 L749 V752 Y753 V783 K784 T785 K789 L790 I791 | L724-I787 HydrophobicContact CD1-CG1 3.7Å; L724-I787 HydrophobicContact CD2-CG1 3.87Å; L724-I787 HydrophobicContact CG-CG1 4.46Å; L749-I787 HydrophobicContact CB-CG2 4.29Å; L749-I787 HydrophobicContact CD2-CD1 4.45Å; L749-I787 HydrophobicContact CD2-CG1 3.92Å; L749-I787 HydrophobicContact CD2-CG2 4.5Å; V752-I787 HydrophobicContact CB-CD1 4.48Å; V752-I787 HydrophobicContact CG1-CD1 4.21Å; Y753-I787 HydrophobicContact CD2-CG2 4.46Å; V783-I787 HydrophobicContact CG1-CD1 3.88Å; V783-I787 HydrophobicContact CG1-CG1 4.47Å; V783-I787 VanDerWaalsContact O-CG1 3.28Å; V783-I787 WeakPolarHBondContact O-CG1 3.45Å; V783-I787 PolarHBondContact O-N 3.29Å; K784-I787 PolarHBondContact O-N 3.04Å; T785-I787 PolarHBondContact O-N 3.49Å; I787-K789 VanDerWaalsContact C-N 3.34Å; I787-K789 PolarHBondContact O-N 2.91Å; I787-L790 PolarHBondContact O-N 3.27Å; I787-I791 HydrophobicContact CG2-CD1 3.87Å; I787-I791 WeakPolarHBondContact O-CG1 3.38Å; I787-I791 PolarHBondContact O-N 2.95Å; I787-I791 VanDerWaalsContact O-N 3.07Å |
| 788 | L | 97 | Very high | 94.5 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.3 | -39.6 | 179.9 | -70 | 171.9 | 0 | 0 | 0 | 111.9 | Y753 K784 T785 I791 T792 V816 E829 E831 V832 T835 | Y753-L788 HydrophobicContact CE2-CD1 4Å; Y753-L788 HydrophobicContact CE2-CD2 4.25Å; Y753-L788 HydrophobicContact CE2-CG 4.01Å; K784-L788 WeakPolarHBondContact O-CG 3.47Å; K784-L788 PolarHBondContact O-N 3.27Å; K784-L788 VanDerWaalsContact O-N 3.13Å; T785-L788 PolarHBondContact O-N 3.45Å; L788-I791 PolarHBondContact O-N 3.44Å; L788-T792 VanDerWaalsContact O-CB 3.27Å; L788-T792 WeakPolarHBondContact O-CB 3.49Å; L788-T792 PolarHBondContact O-N 3.3Å; L788-T792 PolarHBondContact O-OG1 2.9Å; L788-V816 HydrophobicContact CD2-CG1 4.2Å; L788-V816 HydrophobicContact CD2-CG2 4.24Å; L788-E829 HydrophobicContact CD1-CG 4.2Å; L788-E831 HydrophobicContact CB-CB 4.24Å; L788-E831 HydrophobicContact CB-CG 3.7Å; L788-E831 HydrophobicContact CD1-CB 3.98Å; L788-E831 HydrophobicContact CD1-CG 4.38Å; L788-V832 HydrophobicContact CD1-CG2 3.61Å; L788-T835 HydrophobicContact CD2-CG2 4.36Å |
| 789 | K | 96.7 | Very high | 94.4 | Very high | 73 Ų | 73 | 27.2 Ų | 27.2 | 32% | 0.317 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.7 | -43 | 175.2 | -75.7 | 177.8 | 178.3 | 175.4 | 0 | 113 | T785 E786 I787 T792 T793 E831 | T785-K789 HydrophobicContact CG2-CD 4.26Å; T785-K789 WeakPolarHBondContact O-CG 2.88Å; T785-K789 PolarHBondContact O-N 3.03Å; E786-K789 PolarHBondContact O-N 3.5Å; E786-K789 IonicContact OE1-NZ 3.99Å; I787-K789 VanDerWaalsContact C-N 3.34Å; I787-K789 PolarHBondContact O-N 2.91Å; K789-T792 PolarHBondContact O-N 3.47Å; K789-T793 VanDerWaalsContact O-CB 3.3Å; K789-T793 WeakPolarHBondContact O-CB 3.11Å; K789-T793 PolarHBondContact O-N 3.45Å; K789-T793 PolarHBondContact O-OG1 2.82Å; K789-E831 WeakPolarHBondContact CE-OE2 3.24Å; K789-E831 HydrophobicContact CG-CG 4.05Å |
| 790 | L | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 175.8 | 174.2 | 58.1 | 0 | 0 | 0 | 110.9 | L724 N727 T728 C731 F738 L742 I745 L749 E786 I787 T793 W794 | L724-L790 HydrophobicContact CD2-CD2 4.37Å; N727-L790 HydrophobicContact CB-CD1 3.96Å; N727-L790 HydrophobicContact CB-CD2 3.8Å; T728-L790 WeakPolarHBondContact OG1-CA 3.09Å; T728-L790 WeakPolarHBondContact OG1-CB 3.37Å; C731-L790 HydrophobicContact CB-CD1 3.92Å; F738-L790 HydrophobicContact CE1-CD1 4.03Å; L742-L790 HydrophobicContact CD1-CD2 4.36Å; L742-L790 HydrophobicContact CD1-CG 4.41Å; I745-L790 HydrophobicContact CD1-CD2 4.38Å; L749-L790 HydrophobicContact CD1-CD2 4.05Å; E786-L790 WeakPolarHBondContact O-CB 3.3Å; E786-L790 PolarHBondContact O-N 3.2Å; I787-L790 PolarHBondContact O-N 3.27Å; L790-T793 PolarHBondContact O-N 2.9Å; L790-W794 PolarHBondContact O-N 3.17Å |
| 791 | I | 96.2 | Very high | 94 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -47 | 179.7 | -66.3 | 174 | 0 | 0 | 0 | 110.4 | Y746 I787 L788 T793 W794 I795 L812 T835 | Y746-I791 HydrophobicContact CE2-CD1 3.95Å; Y746-I791 HydrophobicContact CE2-CG1 4.17Å; I787-I791 HydrophobicContact CG2-CD1 3.87Å; I787-I791 WeakPolarHBondContact O-CG1 3.38Å; I787-I791 PolarHBondContact O-N 2.95Å; I787-I791 VanDerWaalsContact O-N 3.07Å; L788-I791 PolarHBondContact O-N 3.44Å; I791-T793 PolarHBondContact O-N 2.91Å; I791-W794 PolarHBondContact O-N 2.92Å; I791-I795 HydrophobicContact CG2-CD1 3.58Å; I791-I795 HydrophobicContact CG2-CG1 4.23Å; I791-I795 WeakPolarHBondContact O-CB 3.37Å; I791-I795 VanDerWaalsContact O-CG1 3.27Å; I791-I795 WeakPolarHBondContact O-CG1 3.48Å; I791-I795 PolarHBondContact O-N 3.45Å; I791-L812 HydrophobicContact CD1-CD1 3.79Å; I791-L812 HydrophobicContact CG2-CD2 3.93Å; I791-T835 HydrophobicContact CG2-CG2 4.46Å |
| 792 | T | 95.8 | Very high | 93.9 | Very high | 21 Ų | 21 | 34.8 Ų | 34.8 | 13% | 0.129 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.8 | -49.2 | 176.5 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | L788 K789 W794 I795 S796 T835 A838 | L788-T792 VanDerWaalsContact O-CB 3.27Å; L788-T792 WeakPolarHBondContact O-CB 3.49Å; L788-T792 PolarHBondContact O-N 3.3Å; L788-T792 PolarHBondContact O-OG1 2.9Å; K789-T792 PolarHBondContact O-N 3.47Å; T792-W794 VanDerWaalsContact C-N 3.33Å; T792-W794 PolarHBondContact O-N 2.97Å; T792-I795 PolarHBondContact O-N 3.45Å; T792-S796 PolarHBondContact O-N 3.34Å; T792-S796 PolarHBondContact O-OG 3.32Å; T792-S796 VanDerWaalsContact O-OG 3.13Å; T792-T835 WeakPolarHBondContact OG1-CA 3.44Å; T792-T835 WeakPolarHBondContact OG1-CB 3.16Å; T792-T835 WeakPolarHBondContact OG1-CG2 3.39Å; T792-T835 PolarHBondContact OG1-OG1 2.99Å; T792-A838 HydrophobicContact CG2-CB 3.75Å |
| 793 | T | 95.4 | Very high | 93.7 | Very high | 31 Ų | 31 | 39 Ų | 39 | 19% | 0.19 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.1 | -45.2 | -179.8 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | K732 K789 L790 I791 | K732-T793 HydrophobicContact CB-CG2 3.99Å; K789-T793 VanDerWaalsContact O-CB 3.3Å; K789-T793 WeakPolarHBondContact O-CB 3.11Å; K789-T793 PolarHBondContact O-N 3.45Å; K789-T793 PolarHBondContact O-OG1 2.82Å; L790-T793 PolarHBondContact O-N 2.9Å; I791-T793 PolarHBondContact O-N 2.91Å |
| 794 | W | 96 | Very high | 93.5 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.5 | -45.9 | 178 | 179.2 | 74.5 | 0 | 0 | 0 | 111.9 | C731 I739 L742 L790 I791 T792 S796 Q797 S798 V804 F808 | C731-W794 VanDerWaalsContact SG-CB 3.58Å; I739-W794 HydrophobicContact CB-CZ2 4Å; I739-W794 HydrophobicContact CD1-CH2 4.45Å; I739-W794 HydrophobicContact CD1-CZ2 3.83Å; I739-W794 HydrophobicContact CG1-CZ2 3.71Å; L742-W794 HydrophobicContact CD2-CB 3.98Å; L742-W794 HydrophobicContact CD2-CD2 3.34Å; L742-W794 HydrophobicContact CD2-CE3 3.43Å; L742-W794 VanDerWaalsContact CD2-CE3 3.43Å; L742-W794 HydrophobicContact CD2-CG 3.57Å; L742-W794 HydrophobicContact CD2-CZ3 4.09Å; L790-W794 PolarHBondContact O-N 3.17Å; I791-W794 PolarHBondContact O-N 2.92Å; T792-W794 VanDerWaalsContact C-N 3.33Å; T792-W794 PolarHBondContact O-N 2.97Å; W794-S796 VanDerWaalsContact C-N 3.32Å; W794-S796 PolarHBondContact O-N 3.12Å; W794-Q797 CarbonylContact O-C 3.59Å; W794-Q797 PolarHBondContact O-N 2.74Å; W794-S798 PolarHBondContact O-N 2.9Å; W794-V804 HydrophobicContact CH2-CG1 4.35Å; W794-V804 HydrophobicContact CH2-CG2 3.96Å; W794-V804 HydrophobicContact CZ3-CG1 4.08Å; W794-V804 HydrophobicContact CZ3-CG2 4.48Å; W794-F808 HydrophobicContact CH2-CD1 4.28Å; W794-F808 AromaticContact CH2-CD2 3.67Å; W794-F808 HydrophobicContact CH2-CD2 3.67Å; W794-F808 HydrophobicContact CH2-CE1 4.28Å; W794-F808 AromaticContact CH2-CE2 3.66Å; W794-F808 HydrophobicContact CH2-CE2 3.66Å; W794-F808 AromaticContact CH2-CG 3.99Å; W794-F808 HydrophobicContact CH2-CG 3.99Å; W794-F808 AromaticContact CH2-CZ 3.98Å; W794-F808 HydrophobicContact CH2-CZ 3.98Å; W794-F808 HydrophobicContact CZ2-CE2 4.4Å; W794-F808 HydrophobicContact CZ2-CZ 4.46Å; W794-F808 HydrophobicContact CZ3-CB 4.22Å; W794-F808 HydrophobicContact CZ3-CD1 4.02Å; W794-F808 AromaticContact CZ3-CD2 3.95Å; W794-F808 HydrophobicContact CZ3-CD2 3.95Å; W794-F808 HydrophobicContact CZ3-CE1 4.38Å; W794-F808 HydrophobicContact CZ3-CE2 4.31Å; W794-F808 AromaticContact CZ3-CG 3.8Å; W794-F808 HydrophobicContact CZ3-CG 3.8Å |
| 795 | I | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.4 | -44.8 | -178.3 | -71.5 | 177.2 | 0 | 0 | 0 | 110.6 | I791 T792 Q797 S798 V809 I839 K842 | I791-I795 HydrophobicContact CG2-CD1 3.58Å; I791-I795 HydrophobicContact CG2-CG1 4.23Å; I791-I795 WeakPolarHBondContact O-CB 3.37Å; I791-I795 VanDerWaalsContact O-CG1 3.27Å; I791-I795 WeakPolarHBondContact O-CG1 3.48Å; I791-I795 PolarHBondContact O-N 3.45Å; T792-I795 PolarHBondContact O-N 3.45Å; I795-Q797 PolarHBondContact O-N 2.88Å; I795-Q797 VanDerWaalsContact O-N 3.13Å; I795-S798 WeakPolarHBondContact O-CB 3.31Å; I795-S798 PolarHBondContact O-N 2.87Å; I795-S798 VanDerWaalsContact O-N 3.09Å; I795-S798 PolarHBondContact O-OG 3.38Å; I795-V809 HydrophobicContact CD1-CG2 4.43Å; I795-I839 HydrophobicContact CD1-CD1 3.98Å; I795-I839 HydrophobicContact CD1-CG1 3.62Å; I795-I839 HydrophobicContact CG2-CG1 4.11Å; I795-K842 HydrophobicContact CG2-CB 4.13Å; I795-K842 HydrophobicContact CG2-CG 4.3Å; I795-K842 WeakPolarHBondContact O-CG 3.42Å |
| 796 | S | 93.2 | Very high | 93.1 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 43% | 0.427 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.2 | -32.8 | 177 | -60 | 0 | 0 | 0 | 0 | 112.9 | T792 W794 K842 | T792-S796 PolarHBondContact O-N 3.34Å; T792-S796 PolarHBondContact O-OG 3.32Å; T792-S796 VanDerWaalsContact O-OG 3.13Å; W794-S796 VanDerWaalsContact C-N 3.32Å; W794-S796 PolarHBondContact O-N 3.12Å; S796-K842 PolarHBondContact O-NZ 3.33Å |
| 797 | Q | 91.7 | Very high | 92.9 | Very high | 72 Ų | 72 | 48.8 Ų | 48.8 | 34% | 0.336 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -99.4 | -3.1 | -179.1 | -56.3 | -169.5 | 22.4 | 0 | 0 | 114.2 | K732 W794 I795 | K732-Q797 PolarHBondContact O-NE2 3.32Å; K732-Q797 VanDerWaalsContact O-NE2 3.11Å; K732-Q797 PolarHBondContact O-OE1 2.97Å; W794-Q797 CarbonylContact O-C 3.59Å; W794-Q797 PolarHBondContact O-N 2.74Å; I795-Q797 PolarHBondContact O-N 2.88Å; I795-Q797 VanDerWaalsContact O-N 3.13Å |
| 798 | S | 92.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | trans | -65.8 | 156 | -177 | 65.4 | 0 | 0 | 0 | 0 | 112.7 | W794 I795 K842 | W794-S798 PolarHBondContact O-N 2.9Å; I795-S798 WeakPolarHBondContact O-CB 3.31Å; I795-S798 PolarHBondContact O-N 2.87Å; I795-S798 VanDerWaalsContact O-N 3.09Å; I795-S798 PolarHBondContact O-OG 3.38Å; S798-K842 WeakPolarHBondContact O-CE 3.49Å; S798-K842 PolarHBondContact O-NZ 3.05Å | ||
| 799 | E | 88.3 | Confident | 92.6 | Very high | 125 Ų | 125 | 49.6 Ų | 49.6 | 58% | 0.584 | 25% | 0.253 | S | S | * | . | trans | -113 | 162.3 | 169.1 | -62 | 174.5 | 177.1 | 0 | 0 | 109.6 | N736 V804 | N736-E799 HydrophobicContact CB-CG 4.12Å; N736-E799 VanDerWaalsContact ND2-CD 3.33Å; N736-E799 PolarHBondContact ND2-OE2 3.02Å; N736-E799 VanDerWaalsContact ND2-OE2 3.1Å; N736-E799 PolarHBondContact OD1-N 3.37Å; E799-V804 WeakPolarHBondContact O-CG2 3.46Å | ||
| 800 | Q | 86.9 | Confident | 92.4 | Very high | 122 Ų | 122 | 48.1 Ų | 48.1 | 57% | 0.57 | 25% | 0.25 | S | S | * | . | trans | 62.4 | 74.4 | 176.2 | -48.6 | -175.5 | 21.5 | 0 | 0 | 115.6 | N802 E803 V804 | Q800-N802 VanDerWaalsContact C-N 3.26Å; Q800-N802 PolarHBondContact O-N 3.33Å; Q800-E803 PolarHBondContact O-N 3Å; Q800-E803 VanDerWaalsContact O-N 3.08Å; Q800-E803 VanDerWaalsContact OE1-CD 3.3Å; Q800-E803 PolarHBondContact OE1-OE1 3.29Å; Q800-E803 PolarHBondContact OE1-OE2 2.88Å; Q800-V804 PolarHBondContact O-N 3.38Å | ||
| 801 | S | 88.8 | Confident | 92.2 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -49.4 | -35 | -175.1 | -50.1 | 0 | 0 | 0 | 0 | 116 | Y805 | S801-Y805 WeakPolarHBondContact O-CB 3.17Å; S801-Y805 PolarHBondContact O-N 3.04Å |
| 802 | N | 89.4 | Confident | 92.1 | Very high | 111 Ų | 111 | 49.8 Ų | 49.8 | 59% | 0.594 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -69.6 | -40.1 | -179 | -70.8 | -42.4 | 0 | 0 | 0 | 113.1 | Q800 Y805 M806 | Q800-N802 VanDerWaalsContact C-N 3.26Å; Q800-N802 PolarHBondContact O-N 3.33Å; N802-Y805 PolarHBondContact O-N 3.03Å; N802-M806 WeakPolarHBondContact O-CG 3.36Å; N802-M806 PolarHBondContact O-N 3.15Å; N802-M806 VanDerWaalsContact O-N 3.12Å |
| 803 | E | 88.8 | Confident | 92 | Very high | 109 Ų | 109 | 49.6 Ų | 49.6 | 51% | 0.509 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.6 | -39.7 | 178.6 | -63.1 | -165.1 | 168.6 | 0 | 0 | 110.7 | Q800 Y805 M806 N807 | Q800-E803 PolarHBondContact O-N 3Å; Q800-E803 VanDerWaalsContact O-N 3.08Å; Q800-E803 VanDerWaalsContact OE1-CD 3.3Å; Q800-E803 PolarHBondContact OE1-OE1 3.29Å; Q800-E803 PolarHBondContact OE1-OE2 2.88Å; E803-Y805 VanDerWaalsContact C-N 3.31Å; E803-Y805 PolarHBondContact O-N 3.42Å; E803-M806 PolarHBondContact O-N 3.04Å; E803-N807 WeakPolarHBondContact O-CB 3.49Å; E803-N807 PolarHBondContact O-N 3.06Å; E803-N807 PolarHBondContact O-ND2 3.03Å |
| 804 | V | 92 | Very high | 91.8 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 173.5 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | W794 E799 Q800 F808 V809 L843 | W794-V804 HydrophobicContact CH2-CG1 4.35Å; W794-V804 HydrophobicContact CH2-CG2 3.96Å; W794-V804 HydrophobicContact CZ3-CG1 4.08Å; W794-V804 HydrophobicContact CZ3-CG2 4.48Å; E799-V804 WeakPolarHBondContact O-CG2 3.46Å; Q800-V804 PolarHBondContact O-N 3.38Å; V804-F808 WeakPolarHBondContact O-CB 3.46Å; V804-F808 PolarHBondContact O-N 2.94Å; V804-V809 HydrophobicContact CG1-CG2 4.28Å; V804-V809 PolarHBondContact O-N 3.01Å; V804-L843 HydrophobicContact CB-CD2 4.18Å; V804-L843 HydrophobicContact CG1-CD2 4.09Å |
| 805 | Y | 91.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 56.6 Ų | 56.6 | 11% | 0.106 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -59 | -55.6 | 177.6 | 173.4 | -112.9 | 0 | 0 | 0 | 112.1 | S801 N802 E803 V809 T810 L843 V846 I847 E850 | S801-Y805 WeakPolarHBondContact O-CB 3.17Å; S801-Y805 PolarHBondContact O-N 3.04Å; N802-Y805 PolarHBondContact O-N 3.03Å; E803-Y805 VanDerWaalsContact C-N 3.31Å; E803-Y805 PolarHBondContact O-N 3.42Å; Y805-V809 HydrophobicContact CD2-CB 4.31Å; Y805-V809 HydrophobicContact CD2-CG1 4.33Å; Y805-V809 PolarHBondContact O-N 3.33Å; Y805-T810 PolarHBondContact O-N 3.48Å; Y805-T810 VanDerWaalsContact O-N 3.07Å; Y805-T810 PolarHBondContact O-OG1 3.39Å; Y805-L843 HydrophobicContact CD2-CD1 4.46Å; Y805-V846 HydrophobicContact CD1-CG1 4.17Å; Y805-V846 HydrophobicContact CG-CG1 3.95Å; Y805-I847 HydrophobicContact CD2-CD1 3.64Å; Y805-I847 HydrophobicContact CE2-CD1 3.63Å; Y805-E850 HydrophobicContact CE2-CG 3.87Å; Y805-E850 PolarHBondContact OH-OE1 2.82Å |
| 806 | M | 90.7 | Very high | 91.5 | Very high | 122 Ų | 122 | 56.9 Ų | 56.9 | 60% | 0.601 | 29% | 0.293 | S | S | * | . | I | π-helix | trans | -68.3 | -41 | -172.4 | -67.7 | -65.2 | 173.7 | 0 | 0 | 113.2 | N802 E803 | N802-M806 WeakPolarHBondContact O-CG 3.36Å; N802-M806 PolarHBondContact O-N 3.15Å; N802-M806 VanDerWaalsContact O-N 3.12Å; E803-M806 PolarHBondContact O-N 3.04Å |
| 807 | N | 91.4 | Very high | 91.5 | Very high | 98 Ų | 98 | 54.6 Ų | 54.6 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -93.9 | -28.1 | -170.5 | -63.2 | -35.6 | 0 | 0 | 0 | 113.4 | E803 | E803-N807 WeakPolarHBondContact O-CB 3.49Å; E803-N807 PolarHBondContact O-N 3.06Å; E803-N807 PolarHBondContact O-ND2 3.03Å |
| 808 | F | 93.9 | Very high | 91.4 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -115.8 | -52.1 | -173.5 | -62.1 | -92.6 | 0 | 0 | 0 | 112.1 | I739 L742 Y746 W794 V804 P811 L812 | I739-F808 HydrophobicContact CD1-CE2 4.25Å; I739-F808 HydrophobicContact CD1-CZ 4.28Å; I739-F808 HydrophobicContact CG1-CE2 4.45Å; I739-F808 HydrophobicContact CG1-CZ 4Å; L742-F808 HydrophobicContact CD2-CD1 4.3Å; L742-F808 HydrophobicContact CD2-CE1 4.08Å; L742-F808 HydrophobicContact CG-CE1 4.23Å; Y746-F808 AromaticContact CD1-CD1 3.89Å; Y746-F808 HydrophobicContact CD1-CD1 3.89Å; Y746-F808 HydrophobicContact CD1-CE1 4.31Å; Y746-F808 AromaticContact CD2-CD1 3.81Å; Y746-F808 HydrophobicContact CD2-CD1 3.81Å; Y746-F808 HydrophobicContact CD2-CE1 4.18Å; Y746-F808 HydrophobicContact CE1-CB 4.2Å; Y746-F808 AromaticContact CE1-CD1 3.77Å; Y746-F808 HydrophobicContact CE1-CD1 3.77Å; Y746-F808 HydrophobicContact CE1-CG 4.34Å; Y746-F808 AromaticContact CE2-CD1 3.71Å; Y746-F808 HydrophobicContact CE2-CD1 3.71Å; Y746-F808 AromaticContact CG-CD1 3.9Å; Y746-F808 HydrophobicContact CG-CD1 3.9Å; Y746-F808 HydrophobicContact CG-CE1 4.08Å; Y746-F808 AromaticContact CZ-CD1 3.68Å; Y746-F808 VanDerWaalsContact OH-C 3.29Å; Y746-F808 PolarHBondContact OH-O 2.83Å; W794-F808 HydrophobicContact CH2-CD1 4.28Å; W794-F808 AromaticContact CH2-CD2 3.67Å; W794-F808 HydrophobicContact CH2-CD2 3.67Å; W794-F808 HydrophobicContact CH2-CE1 4.28Å; W794-F808 AromaticContact CH2-CE2 3.66Å; W794-F808 HydrophobicContact CH2-CE2 3.66Å; W794-F808 AromaticContact CH2-CG 3.99Å; W794-F808 HydrophobicContact CH2-CG 3.99Å; W794-F808 AromaticContact CH2-CZ 3.98Å; W794-F808 HydrophobicContact CH2-CZ 3.98Å; W794-F808 HydrophobicContact CZ2-CE2 4.4Å; W794-F808 HydrophobicContact CZ2-CZ 4.46Å; W794-F808 HydrophobicContact CZ3-CB 4.22Å; W794-F808 HydrophobicContact CZ3-CD1 4.02Å; W794-F808 AromaticContact CZ3-CD2 3.95Å; W794-F808 HydrophobicContact CZ3-CD2 3.95Å; W794-F808 HydrophobicContact CZ3-CE1 4.38Å; W794-F808 HydrophobicContact CZ3-CE2 4.31Å; W794-F808 AromaticContact CZ3-CG 3.8Å; W794-F808 HydrophobicContact CZ3-CG 3.8Å; V804-F808 WeakPolarHBondContact O-CB 3.46Å; V804-F808 PolarHBondContact O-N 2.94Å; F808-P811 WeakPolarHBondContact O-CD 3.27Å; F808-L812 WeakPolarHBondContact O-CB 3.25Å; F808-L812 PolarHBondContact O-N 3.06Å; F808-L812 VanDerWaalsContact O-N 3.16Å |
| 809 | V | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -70 | -41.4 | -173 | 177.5 | 0 | 0 | 0 | 0 | 112.6 | I795 V804 Y805 L812 F813 I839 L843 I847 | I795-V809 HydrophobicContact CD1-CG2 4.43Å; V804-V809 HydrophobicContact CG1-CG2 4.28Å; V804-V809 PolarHBondContact O-N 3.01Å; Y805-V809 HydrophobicContact CD2-CB 4.31Å; Y805-V809 HydrophobicContact CD2-CG1 4.33Å; Y805-V809 PolarHBondContact O-N 3.33Å; V809-L812 WeakPolarHBondContact O-CB 3.35Å; V809-L812 PolarHBondContact O-N 3.11Å; V809-F813 HydrophobicContact CG1-CD1 4Å; V809-F813 HydrophobicContact CG1-CD2 3.97Å; V809-F813 HydrophobicContact CG1-CE1 3.76Å; V809-F813 HydrophobicContact CG1-CE2 3.73Å; V809-F813 HydrophobicContact CG1-CG 4.11Å; V809-F813 HydrophobicContact CG1-CZ 3.62Å; V809-F813 PolarHBondContact O-N 3.49Å; V809-I839 HydrophobicContact CG1-CD1 4.36Å; V809-I839 HydrophobicContact CG1-CG2 3.99Å; V809-I839 HydrophobicContact CG2-CD1 4.3Å; V809-I839 HydrophobicContact CG2-CG1 4.32Å; V809-I839 HydrophobicContact CG2-CG2 4.14Å; V809-L843 HydrophobicContact CB-CD1 4.5Å; V809-L843 HydrophobicContact CG2-CD1 3.79Å; V809-I847 HydrophobicContact CG1-CD1 3.83Å |
| 810 | T | 92.3 | Very high | 91.6 | Very high | 43 Ų | 43 | 51.9 Ų | 51.9 | 26% | 0.264 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.4 | -52.8 | 178.7 | -58 | 0 | 0 | 0 | 0 | 112.3 | Y805 L812 F813 E814 | Y805-T810 PolarHBondContact O-N 3.48Å; Y805-T810 VanDerWaalsContact O-N 3.07Å; Y805-T810 PolarHBondContact O-OG1 3.39Å; T810-L812 VanDerWaalsContact C-N 3.3Å; T810-L812 PolarHBondContact O-N 2.89Å; T810-F813 PolarHBondContact O-N 3.18Å; T810-E814 PolarHBondContact O-N 2.9Å |
| 811 | P | 93 | Very high | 91.9 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 21% | 0.208 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.3 | -34.7 | 175.1 | -24.8 | 34.4 | 0 | 0 | 0 | 114.2 | Y746 L750 F808 T815 | Y746-P811 HydrophobicContact CE1-CB 4.49Å; L750-P811 HydrophobicContact CD1-CB 3.67Å; F808-P811 WeakPolarHBondContact O-CD 3.27Å; P811-T815 PolarHBondContact O-N 2.88Å; P811-T815 PolarHBondContact O-OG1 2.98Å |
| 812 | L | 94.7 | Very high | 92 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 177.2 | -178 | 68 | 0 | 0 | 0 | 111.1 | L750 I791 F808 V809 T810 E814 T815 V816 T835 I839 | L750-L812 HydrophobicContact CD2-CD1 3.86Å; I791-L812 HydrophobicContact CD1-CD1 3.79Å; I791-L812 HydrophobicContact CG2-CD2 3.93Å; F808-L812 WeakPolarHBondContact O-CB 3.25Å; F808-L812 PolarHBondContact O-N 3.06Å; F808-L812 VanDerWaalsContact O-N 3.16Å; V809-L812 WeakPolarHBondContact O-CB 3.35Å; V809-L812 PolarHBondContact O-N 3.11Å; T810-L812 VanDerWaalsContact C-N 3.3Å; T810-L812 PolarHBondContact O-N 2.89Å; L812-E814 PolarHBondContact O-N 2.95Å; L812-T815 PolarHBondContact O-N 3.26Å; L812-T815 VanDerWaalsContact O-N 3.14Å; L812-V816 HydrophobicContact CD1-CG2 3.59Å; L812-V816 HydrophobicContact CG-CG2 4.22Å; L812-V816 WeakPolarHBondContact O-CB 3.45Å; L812-V816 WeakPolarHBondContact O-CG2 3.37Å; L812-V816 PolarHBondContact O-N 3.01Å; L812-T835 HydrophobicContact CD2-CG2 4.09Å; L812-I839 HydrophobicContact CD2-CD1 3.74Å |
| 813 | F | 94 | Very high | 92 | Very high | 18 Ų | 18 | 52 Ų | 52 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | -178.6 | -79.4 | 5.1 | 0 | 0 | 0 | 112.3 | V809 T810 T815 L817 V836 I839 I847 E850 I854 | V809-F813 HydrophobicContact CG1-CD1 4Å; V809-F813 HydrophobicContact CG1-CD2 3.97Å; V809-F813 HydrophobicContact CG1-CE1 3.76Å; V809-F813 HydrophobicContact CG1-CE2 3.73Å; V809-F813 HydrophobicContact CG1-CG 4.11Å; V809-F813 HydrophobicContact CG1-CZ 3.62Å; V809-F813 PolarHBondContact O-N 3.49Å; T810-F813 PolarHBondContact O-N 3.18Å; F813-T815 PolarHBondContact O-N 3.02Å; F813-L817 HydrophobicContact CB-CD1 3.81Å; F813-L817 HydrophobicContact CB-CG 4.21Å; F813-L817 HydrophobicContact CD1-CD1 3.99Å; F813-L817 HydrophobicContact CD1-CG 4.13Å; F813-L817 HydrophobicContact CD2-CD1 3.89Å; F813-L817 HydrophobicContact CE2-CD1 4.43Å; F813-L817 HydrophobicContact CG-CD1 3.64Å; F813-L817 HydrophobicContact CG-CG 4.17Å; F813-L817 WeakPolarHBondContact O-CB 3.42Å; F813-L817 PolarHBondContact O-N 3.04Å; F813-V836 HydrophobicContact CE1-CG2 4.34Å; F813-I839 HydrophobicContact CE1-CD1 3.73Å; F813-I839 HydrophobicContact CZ-CD1 4.3Å; F813-I839 HydrophobicContact CZ-CG2 4.09Å; F813-I847 HydrophobicContact CE2-CD1 3.72Å; F813-I847 HydrophobicContact CE2-CG1 4.15Å; F813-I847 HydrophobicContact CZ-CD1 4.14Å; F813-I847 HydrophobicContact CZ-CG1 4.36Å; F813-E850 HydrophobicContact CD2-CB 4.4Å; F813-E850 HydrophobicContact CD2-CG 4.48Å; F813-E850 HydrophobicContact CE2-CB 4.02Å; F813-E850 HydrophobicContact CE2-CG 4.37Å; F813-I854 HydrophobicContact CE2-CD1 3.86Å; F813-I854 HydrophobicContact CE2-CG1 3.97Å; F813-I854 HydrophobicContact CZ-CD1 3.88Å; F813-I854 HydrophobicContact CZ-CG1 4.14Å |
| 814 | E | 90.4 | Very high | 92 | Very high | 148 Ų | 148 | 49 Ų | 49 | 69% | 0.692 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.6 | -32 | 174.2 | -71.1 | -179.8 | 175.2 | 0 | 0 | 112.6 | T810 L812 | T810-E814 PolarHBondContact O-N 2.9Å; L812-E814 PolarHBondContact O-N 2.95Å |
| 815 | T | 91.7 | Very high | 91.8 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -88.3 | -43.8 | -177.7 | -54.4 | 0 | 0 | 0 | 0 | 112.7 | Y753 K754 P811 L812 F813 D819 | Y753-T815 HydrophobicContact CD1-CG2 3.9Å; K754-T815 HydrophobicContact CB-CG2 4.21Å; P811-T815 PolarHBondContact O-N 2.88Å; P811-T815 PolarHBondContact O-OG1 2.98Å; L812-T815 PolarHBondContact O-N 3.26Å; L812-T815 VanDerWaalsContact O-N 3.14Å; F813-T815 PolarHBondContact O-N 3.02Å; T815-D819 WeakPolarHBondContact O-CB 3.43Å |
| 816 | V | 94.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -96.8 | -40.8 | -164.6 | 176.4 | 0 | 0 | 0 | 0 | 113.2 | Y753 L788 L812 D819 Y820 V832 | Y753-V816 HydrophobicContact CD1-CG2 4.23Å; Y753-V816 HydrophobicContact CE1-CB 4.45Å; Y753-V816 HydrophobicContact CE1-CG2 3.84Å; Y753-V816 HydrophobicContact CE2-CG2 4.33Å; L788-V816 HydrophobicContact CD2-CG1 4.2Å; L788-V816 HydrophobicContact CD2-CG2 4.24Å; L812-V816 HydrophobicContact CD1-CG2 3.59Å; L812-V816 HydrophobicContact CG-CG2 4.22Å; L812-V816 WeakPolarHBondContact O-CB 3.45Å; L812-V816 WeakPolarHBondContact O-CG2 3.37Å; L812-V816 PolarHBondContact O-N 3.01Å; V816-D819 WeakPolarHBondContact O-CB 3.4Å; V816-D819 PolarHBondContact O-N 3.35Å; V816-Y820 WeakPolarHBondContact O-CB 3.37Å; V816-Y820 PolarHBondContact O-N 3.01Å; V816-V832 HydrophobicContact CG1-CB 4.19Å; V816-V832 HydrophobicContact CG1-CG1 3.64Å; V816-V832 HydrophobicContact CG1-CG2 3.52Å |
| 817 | L | 92.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 7% | 0.068 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.4 | -46.2 | -173.5 | -67.4 | -177 | 0 | 0 | 0 | 111.6 | F813 D819 Y820 Q821 V836 I854 A857 V858 | F813-L817 HydrophobicContact CB-CD1 3.81Å; F813-L817 HydrophobicContact CB-CG 4.21Å; F813-L817 HydrophobicContact CD1-CD1 3.99Å; F813-L817 HydrophobicContact CD1-CG 4.13Å; F813-L817 HydrophobicContact CD2-CD1 3.89Å; F813-L817 HydrophobicContact CE2-CD1 4.43Å; F813-L817 HydrophobicContact CG-CD1 3.64Å; F813-L817 HydrophobicContact CG-CG 4.17Å; F813-L817 WeakPolarHBondContact O-CB 3.42Å; F813-L817 PolarHBondContact O-N 3.04Å; L817-D819 VanDerWaalsContact C-N 3.31Å; L817-D819 PolarHBondContact O-N 3.01Å; L817-Y820 PolarHBondContact O-N 3.31Å; L817-Q821 PolarHBondContact O-N 3.42Å; L817-V836 HydrophobicContact CD2-CG2 3.98Å; L817-I854 HydrophobicContact CD1-CG1 4.2Å; L817-A857 HydrophobicContact CB-CB 3.77Å; L817-A857 HydrophobicContact CD2-CB 4.41Å; L817-V858 HydrophobicContact CD2-CG1 4.08Å |
| 818 | F | 88.7 | Confident | 91.5 | Very high | 116 Ų | 116 | 41.3 Ų | 41.3 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.4 | -35 | 177.4 | -177.4 | -109.4 | 0 | 0 | 0 | 112.3 | R822 | F818-R822 VanDerWaalsContact CE1-NH1 3.29Å; F818-R822 HydrophobicContact CE2-CG 4.3Å; F818-R822 HydrophobicContact CZ-CG 4.31Å; F818-R822 WeakPolarHBondContact O-CG 3.47Å; F818-R822 PolarHBondContact O-N 2.97Å |
| 819 | D | 92.1 | Very high | 91.4 | Very high | 24 Ų | 24 | 41 Ų | 41 | 13% | 0.128 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -49.7 | 173.4 | 175 | 60.7 | 0 | 0 | 0 | 111.4 | Y753 S757 K784 T815 V816 L817 Q821 R822 N823 | Y753-D819 HydrophobicContact CE1-CB 4.33Å; Y753-D819 WeakPolarHBondContact CE1-OD2 3.39Å; Y753-D819 PolarHBondContact OH-OD2 3.47Å; Y753-D819 VanDerWaalsContact OH-OD2 3.09Å; S757-D819 VanDerWaalsContact CB-OD1 3.29Å; S757-D819 WeakPolarHBondContact CB-OD1 3.31Å; S757-D819 PolarHBondContact OG-OD1 3.49Å; S757-D819 PolarHBondContact OG-OD2 3.4Å; S757-D819 VanDerWaalsContact OG-OD2 3.05Å; K784-D819 IonicContact NZ-OD2 3.4Å; K784-D819 PolarHBondContact NZ-OD2 2.95Å; T815-D819 WeakPolarHBondContact O-CB 3.43Å; V816-D819 WeakPolarHBondContact O-CB 3.4Å; V816-D819 PolarHBondContact O-N 3.35Å; L817-D819 VanDerWaalsContact C-N 3.31Å; L817-D819 PolarHBondContact O-N 3.01Å; D819-Q821 VanDerWaalsContact C-N 3.34Å; D819-Q821 PolarHBondContact O-N 3.36Å; D819-R822 PolarHBondContact O-N 3.01Å; D819-N823 VanDerWaalsContact CG-ND2 3.32Å; D819-N823 VanDerWaalsContact O-CG 3.31Å; D819-N823 PolarHBondContact O-N 2.98Å; D819-N823 VanDerWaalsContact O-N 3.15Å; D819-N823 PolarHBondContact O-ND2 3.44Å; D819-N823 PolarHBondContact OD1-ND2 3.32Å; D819-N823 PolarHBondContact OD2-ND2 3Å |
| 820 | Y | 94 | Very high | 91.4 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | 177.5 | -173.6 | -86.8 | 0 | 0 | 0 | 111.7 | V816 L817 R822 N823 E829 V832 V858 T862 | V816-Y820 WeakPolarHBondContact O-CB 3.37Å; V816-Y820 PolarHBondContact O-N 3.01Å; L817-Y820 PolarHBondContact O-N 3.31Å; Y820-R822 VanDerWaalsContact C-N 3.3Å; Y820-R822 PolarHBondContact O-N 3.08Å; Y820-N823 PolarHBondContact O-N 3.05Å; Y820-E829 WeakPolarHBondContact CE2-O 3.41Å; Y820-V832 HydrophobicContact CD2-CB 3.76Å; Y820-V832 HydrophobicContact CD2-CG1 3.99Å; Y820-V832 HydrophobicContact CD2-CG2 3.91Å; Y820-V832 HydrophobicContact CE2-CB 4.22Å; Y820-V832 HydrophobicContact CG-CB 4.5Å; Y820-V832 HydrophobicContact CG-CG1 4.23Å; Y820-V858 HydrophobicContact CD1-CB 4.18Å; Y820-V858 HydrophobicContact CD1-CG1 3.78Å; Y820-V858 HydrophobicContact CE1-CB 4.04Å; Y820-V858 HydrophobicContact CE1-CG1 4.09Å; Y820-V858 HydrophobicContact CG-CG1 4.34Å; Y820-T862 WeakPolarHBondContact CE1-OG1 3.38Å; Y820-T862 PolarHBondContact OH-OG1 3.35Å |
| 821 | Q | 92.3 | Very high | 91.6 | Very high | 77 Ų | 77 | 40.8 Ų | 40.8 | 36% | 0.36 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.6 | -33.8 | -178.6 | -166.6 | -174.2 | 37.7 | 0 | 0 | 113.2 | L817 D819 D856 A857 | L817-Q821 PolarHBondContact O-N 3.42Å; D819-Q821 VanDerWaalsContact C-N 3.34Å; D819-Q821 PolarHBondContact O-N 3.36Å; Q821-D856 PolarHBondContact NE2-O 3.38Å; Q821-D856 PolarHBondContact NE2-OD2 2.88Å; Q821-A857 HydrophobicContact CB-CB 4.44Å; Q821-A857 WeakPolarHBondContact CB-O 3.39Å |
| 822 | R | 90.1 | Very high | 91.7 | Very high | 181 Ų | 181 | 39.3 Ų | 39.3 | 68% | 0.683 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -90.1 | -18.7 | -175.4 | -73.2 | -174.7 | 66.8 | -170.9 | 3.4 | 114.6 | F818 D819 Y820 | F818-R822 VanDerWaalsContact CE1-NH1 3.29Å; F818-R822 HydrophobicContact CE2-CG 4.3Å; F818-R822 HydrophobicContact CZ-CG 4.31Å; F818-R822 WeakPolarHBondContact O-CG 3.47Å; F818-R822 PolarHBondContact O-N 2.97Å; D819-R822 PolarHBondContact O-N 3.01Å; Y820-R822 VanDerWaalsContact C-N 3.3Å; Y820-R822 PolarHBondContact O-N 3.08Å |
| 823 | N | 89.6 | Confident | 91.8 | Very high | 18 Ų | 18 | 39.2 Ų | 39.2 | 10% | 0.096 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -69.4 | 152.5 | -179.7 | -81.3 | -41.3 | 0 | 0 | 0 | 111.4 | S761 D819 Y820 A827 | S761-N823 PolarHBondContact OG-OD1 3.05Å; D819-N823 VanDerWaalsContact CG-ND2 3.32Å; D819-N823 VanDerWaalsContact O-CG 3.31Å; D819-N823 PolarHBondContact O-N 2.98Å; D819-N823 VanDerWaalsContact O-N 3.15Å; D819-N823 PolarHBondContact O-ND2 3.44Å; D819-N823 PolarHBondContact OD1-ND2 3.32Å; D819-N823 PolarHBondContact OD2-ND2 3Å; Y820-N823 PolarHBondContact O-N 3.05Å; N823-A827 HydrophobicContact CB-CB 4.31Å |
| 824 | V | 89.1 | Confident | 91.8 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 29% | 0.291 | 20% | 0.197 | S | C | . | . | trans | -63.8 | 152.4 | 169 | -60.7 | 0 | 0 | 0 | 0 | 109.5 | V764 E769 A826 A827 S828 | V764-V824 HydrophobicContact CG1-CG1 4.06Å; V764-V824 HydrophobicContact CG1-CG2 3.72Å; E769-V824 HydrophobicContact CG-CG2 4.32Å; V824-A826 VanDerWaalsContact C-N 3.28Å; V824-A826 PolarHBondContact O-N 3.08Å; V824-A826 VanDerWaalsContact O-N 3.15Å; V824-A827 HydrophobicContact CG2-CB 3.57Å; V824-A827 PolarHBondContact O-N 3.16Å; V824-S828 PolarHBondContact O-N 3.07Å; V824-S828 VanDerWaalsContact O-N 3.11Å; V824-S828 PolarHBondContact O-OG 2.86Å; V824-S828 VanDerWaalsContact O-OG 3.1Å | ||
| 825 | P | 88.2 | Confident | 92.1 | Very high | 58 Ų | 58 | 32.8 Ų | 32.8 | 38% | 0.377 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -44.3 | -49.2 | 178.2 | -36.2 | 40.3 | 0 | 0 | 0 | 114.4 | A827 S828 M865 | P825-A827 VanDerWaalsContact C-N 3.26Å; P825-A827 PolarHBondContact O-N 3.45Å; P825-S828 PolarHBondContact O-N 3.38Å; P825-M865 HydrophobicContact CB-CE 4.25Å; P825-M865 HydrophobicContact CB-CG 3.96Å; P825-M865 HydrophobicContact CB-SD 4.3Å; P825-M865 HydrophobicContact CG-CG 4.42Å; P825-M865 WeakPolarHBondContact O-CE 3.36Å |
| 826 | A | 87.4 | Confident | 92.3 | Very high | 25 Ų | 25 | 31.5 Ų | 31.5 | 21% | 0.207 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -67.4 | -20.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L772 R781 V824 | L772-A826 HydrophobicContact CD1-CB 3.43Å; L772-A826 VanDerWaalsContact CD1-CB 3.43Å; R781-A826 PolarHBondContact NH1-O 3.36Å; V824-A826 VanDerWaalsContact C-N 3.28Å; V824-A826 PolarHBondContact O-N 3.08Å; V824-A826 VanDerWaalsContact O-N 3.15Å |
| 827 | A | 89.1 | Confident | 92.4 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -98.6 | -10.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I760 L772 N823 V824 P825 E829 | I760-A827 HydrophobicContact CG2-CB 4.46Å; L772-A827 HydrophobicContact CD1-CB 4.18Å; L772-A827 HydrophobicContact CD2-CB 3.98Å; N823-A827 HydrophobicContact CB-CB 4.31Å; V824-A827 HydrophobicContact CG2-CB 3.57Å; V824-A827 PolarHBondContact O-N 3.16Å; P825-A827 VanDerWaalsContact C-N 3.26Å; P825-A827 PolarHBondContact O-N 3.45Å; A827-E829 PolarHBondContact O-N 3.31Å |
| 828 | S | 91.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | trans | -69.1 | 126.9 | 178.9 | -61.7 | 0 | 0 | 0 | 0 | 109.9 | V824 P825 H876 | V824-S828 PolarHBondContact O-N 3.07Å; V824-S828 VanDerWaalsContact O-N 3.11Å; V824-S828 PolarHBondContact O-OG 2.86Å; V824-S828 VanDerWaalsContact O-OG 3.1Å; P825-S828 PolarHBondContact O-N 3.38Å; S828-H876 PolarHBondContact O-CE1 3.5Å; S828-H876 PolarHBondContact O-NE2 2.91Å | ||
| 829 | E | 91.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 25.7 Ų | 25.7 | 6% | 0.056 | 13% | 0.132 | C | C | . | . | trans | -90.6 | 116.8 | -170.6 | -171.7 | 57.7 | -146.5 | 0 | 0 | 111.2 | R781 T785 L788 Y820 A827 E831 V832 | R781-E829 IonicContact CZ-OE2 3.47Å; R781-E829 IonicContact NE-OE2 2.81Å; R781-E829 PolarHBondContact NE-OE2 2.87Å; R781-E829 IonicContact NH2-OE2 3.32Å; R781-E829 PolarHBondContact NH2-OE2 2.95Å; T785-E829 VanDerWaalsContact OG1-CD 3.22Å; T785-E829 PolarHBondContact OG1-OE1 3.43Å; L788-E829 HydrophobicContact CD1-CG 4.2Å; Y820-E829 WeakPolarHBondContact CE2-O 3.41Å; A827-E829 PolarHBondContact O-N 3.31Å; E829-E831 HydrophobicContact CG-CB 4.21Å; E829-E831 PolarHBondContact O-N 3.43Å; E829-V832 HydrophobicContact CB-CG2 4.29Å; E829-V832 WeakPolarHBondContact O-CB 3.36Å; E829-V832 WeakPolarHBondContact O-CG2 3.23Å; E829-V832 PolarHBondContact O-N 2.93Å; E829-V832 VanDerWaalsContact O-N 3.12Å | ||
| 830 | P | 93.5 | Very high | 93 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.019 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -24 | -173.7 | 24.5 | -32.2 | 0 | 0 | 0 | 113.4 | V832 L833 E875 N879 | P830-V832 PolarHBondContact O-N 3.4Å; P830-L833 WeakPolarHBondContact O-CB 3.42Å; P830-L833 PolarHBondContact O-N 2.98Å; P830-L833 VanDerWaalsContact O-N 3.08Å; P830-E875 HydrophobicContact CB-CB 3.91Å; P830-E875 HydrophobicContact CG-CB 3.96Å; P830-E875 WeakPolarHBondContact CG-OE2 3.37Å; P830-N879 PolarHBondContact O-ND2 2.97Å |
| 831 | E | 94.7 | Very high | 93 | Very high | 35 Ų | 35 | 29 Ų | 29 | 16% | 0.164 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -21 | 176.3 | -161 | 69.6 | -127.8 | 0 | 0 | 112.7 | T785 L788 K789 E829 L833 S834 T835 | T785-E831 HydrophobicContact CG2-CB 4.28Å; T785-E831 HydrophobicContact CG2-CG 4.3Å; L788-E831 HydrophobicContact CB-CB 4.24Å; L788-E831 HydrophobicContact CB-CG 3.7Å; L788-E831 HydrophobicContact CD1-CB 3.98Å; L788-E831 HydrophobicContact CD1-CG 4.38Å; K789-E831 WeakPolarHBondContact CE-OE2 3.24Å; K789-E831 HydrophobicContact CG-CG 4.05Å; E829-E831 HydrophobicContact CG-CB 4.21Å; E829-E831 PolarHBondContact O-N 3.43Å; E831-L833 VanDerWaalsContact C-N 3.28Å; E831-L833 PolarHBondContact O-N 2.85Å; E831-S834 PolarHBondContact O-N 3.03Å; E831-T835 WeakPolarHBondContact O-CB 3.26Å; E831-T835 PolarHBondContact O-N 2.85Å; E831-T835 PolarHBondContact O-OG1 3.06Å |
| 832 | V | 96.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 172.2 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | L788 V816 Y820 E829 P830 T835 V836 | L788-V832 HydrophobicContact CD1-CG2 3.61Å; V816-V832 HydrophobicContact CG1-CB 4.19Å; V816-V832 HydrophobicContact CG1-CG1 3.64Å; V816-V832 HydrophobicContact CG1-CG2 3.52Å; Y820-V832 HydrophobicContact CD2-CB 3.76Å; Y820-V832 HydrophobicContact CD2-CG1 3.99Å; Y820-V832 HydrophobicContact CD2-CG2 3.91Å; Y820-V832 HydrophobicContact CE2-CB 4.22Å; Y820-V832 HydrophobicContact CG-CB 4.5Å; Y820-V832 HydrophobicContact CG-CG1 4.23Å; E829-V832 HydrophobicContact CB-CG2 4.29Å; E829-V832 WeakPolarHBondContact O-CB 3.36Å; E829-V832 WeakPolarHBondContact O-CG2 3.23Å; E829-V832 PolarHBondContact O-N 2.93Å; E829-V832 VanDerWaalsContact O-N 3.12Å; P830-V832 PolarHBondContact O-N 3.4Å; V832-T835 PolarHBondContact O-N 3.13Å; V832-V836 HydrophobicContact CG1-CG2 4.39Å; V832-V836 VanDerWaalsContact O-CG2 3.25Å; V832-V836 WeakPolarHBondContact O-CG2 3.44Å; V832-V836 PolarHBondContact O-N 2.73Å |
| 833 | L | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 178.7 | -58.6 | 177.5 | 0 | 0 | 0 | 111.3 | P830 E831 V836 T837 V858 T862 N879 F880 L883 | P830-L833 WeakPolarHBondContact O-CB 3.42Å; P830-L833 PolarHBondContact O-N 2.98Å; P830-L833 VanDerWaalsContact O-N 3.08Å; E831-L833 VanDerWaalsContact C-N 3.28Å; E831-L833 PolarHBondContact O-N 2.85Å; L833-V836 PolarHBondContact O-N 3.38Å; L833-T837 WeakPolarHBondContact O-CB 3.25Å; L833-T837 PolarHBondContact O-N 2.71Å; L833-T837 PolarHBondContact O-OG1 3.27Å; L833-V858 HydrophobicContact CD2-CB 3.79Å; L833-V858 HydrophobicContact CD2-CG1 4.2Å; L833-V858 HydrophobicContact CD2-CG2 4.07Å; L833-T862 HydrophobicContact CD1-CG2 3.95Å; L833-N879 HydrophobicContact CB-CB 3.62Å; L833-N879 HydrophobicContact CD1-CB 4.1Å; L833-F880 HydrophobicContact CD1-CB 4.17Å; L833-L883 HydrophobicContact CD2-CD2 4.07Å |
| 834 | S | 95.2 | Very high | 93.3 | Very high | 29 Ų | 29 | 22.4 Ų | 22.4 | 20% | 0.203 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 174.6 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | E831 T837 A838 N879 | E831-S834 PolarHBondContact O-N 3.03Å; S834-T837 WeakPolarHBondContact O-CB 3.47Å; S834-T837 PolarHBondContact O-N 2.94Å; S834-A838 PolarHBondContact O-N 3.45Å; S834-N879 PolarHBondContact OG-ND2 3.02Å |
| 835 | T | 96.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 178.6 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | L788 I791 T792 L812 E831 V832 T837 A838 I839 | L788-T835 HydrophobicContact CD2-CG2 4.36Å; I791-T835 HydrophobicContact CG2-CG2 4.46Å; T792-T835 WeakPolarHBondContact OG1-CA 3.44Å; T792-T835 WeakPolarHBondContact OG1-CB 3.16Å; T792-T835 WeakPolarHBondContact OG1-CG2 3.39Å; T792-T835 PolarHBondContact OG1-OG1 2.99Å; L812-T835 HydrophobicContact CD2-CG2 4.09Å; E831-T835 WeakPolarHBondContact O-CB 3.26Å; E831-T835 PolarHBondContact O-N 2.85Å; E831-T835 PolarHBondContact O-OG1 3.06Å; V832-T835 PolarHBondContact O-N 3.13Å; T835-T837 VanDerWaalsContact C-N 3.3Å; T835-T837 PolarHBondContact O-N 2.78Å; T835-A838 PolarHBondContact O-N 3.2Å; T835-I839 HydrophobicContact CG2-CD1 4.08Å; T835-I839 WeakPolarHBondContact O-CD1 3.41Å; T835-I839 VanDerWaalsContact O-CG1 3.27Å; T835-I839 WeakPolarHBondContact O-CG1 3.23Å; T835-I839 PolarHBondContact O-N 2.93Å |
| 836 | V | 96.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.3 | -38.5 | 176.8 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | F813 L817 V832 L833 I839 V840 I854 L883 | F813-V836 HydrophobicContact CE1-CG2 4.34Å; L817-V836 HydrophobicContact CD2-CG2 3.98Å; V832-V836 HydrophobicContact CG1-CG2 4.39Å; V832-V836 VanDerWaalsContact O-CG2 3.25Å; V832-V836 WeakPolarHBondContact O-CG2 3.44Å; V832-V836 PolarHBondContact O-N 2.73Å; L833-V836 PolarHBondContact O-N 3.38Å; V836-I839 WeakPolarHBondContact O-CB 3.44Å; V836-I839 PolarHBondContact O-N 3.28Å; V836-V840 HydrophobicContact CG1-CG2 4.41Å; V836-V840 VanDerWaalsContact O-CG2 3.32Å; V836-V840 WeakPolarHBondContact O-CG2 3.41Å; V836-V840 PolarHBondContact O-N 2.87Å; V836-I854 HydrophobicContact CG1-CD1 4.05Å; V836-I854 HydrophobicContact CG1-CG1 4.32Å; V836-I854 HydrophobicContact CG1-CG2 3.6Å; V836-L883 HydrophobicContact CB-CD1 4.3Å; V836-L883 HydrophobicContact CG1-CD1 3.68Å; V836-L883 HydrophobicContact CG1-CD2 4.35Å |
| 837 | T | 96.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.9 | -53 | 175 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | L833 S834 T835 I839 V840 E841 I882 L883 A886 | L833-T837 WeakPolarHBondContact O-CB 3.25Å; L833-T837 PolarHBondContact O-N 2.71Å; L833-T837 PolarHBondContact O-OG1 3.27Å; S834-T837 WeakPolarHBondContact O-CB 3.47Å; S834-T837 PolarHBondContact O-N 2.94Å; T835-T837 VanDerWaalsContact C-N 3.3Å; T835-T837 PolarHBondContact O-N 2.78Å; T837-I839 PolarHBondContact O-N 3.01Å; T837-V840 PolarHBondContact O-N 2.87Å; T837-E841 HydrophobicContact CG2-CG 4.41Å; T837-E841 WeakPolarHBondContact O-CG 3.4Å; T837-E841 PolarHBondContact O-N 3.01Å; T837-I882 HydrophobicContact CG2-CG2 3.65Å; T837-L883 VanDerWaalsContact OG1-CA 3.3Å; T837-L883 WeakPolarHBondContact OG1-CA 3.46Å; T837-L883 WeakPolarHBondContact OG1-CB 3.44Å; T837-A886 HydrophobicContact CG2-CB 3.77Å |
| 838 | A | 94.7 | Very high | 93.7 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 6% | 0.058 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.8 | -35.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | T792 S834 T835 K842 | T792-A838 HydrophobicContact CG2-CB 3.75Å; S834-A838 PolarHBondContact O-N 3.45Å; T835-A838 PolarHBondContact O-N 3.2Å; A838-K842 WeakPolarHBondContact O-CB 3.41Å; A838-K842 PolarHBondContact O-N 3.49Å |
| 839 | I | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 173.2 | -70.3 | 165 | 0 | 0 | 0 | 111.1 | I795 V809 L812 F813 T835 V836 T837 K842 L843 I847 | I795-I839 HydrophobicContact CD1-CD1 3.98Å; I795-I839 HydrophobicContact CD1-CG1 3.62Å; I795-I839 HydrophobicContact CG2-CG1 4.11Å; V809-I839 HydrophobicContact CG1-CD1 4.36Å; V809-I839 HydrophobicContact CG1-CG2 3.99Å; V809-I839 HydrophobicContact CG2-CD1 4.3Å; V809-I839 HydrophobicContact CG2-CG1 4.32Å; V809-I839 HydrophobicContact CG2-CG2 4.14Å; L812-I839 HydrophobicContact CD2-CD1 3.74Å; F813-I839 HydrophobicContact CE1-CD1 3.73Å; F813-I839 HydrophobicContact CZ-CD1 4.3Å; F813-I839 HydrophobicContact CZ-CG2 4.09Å; T835-I839 HydrophobicContact CG2-CD1 4.08Å; T835-I839 WeakPolarHBondContact O-CD1 3.41Å; T835-I839 VanDerWaalsContact O-CG1 3.27Å; T835-I839 WeakPolarHBondContact O-CG1 3.23Å; T835-I839 PolarHBondContact O-N 2.93Å; V836-I839 WeakPolarHBondContact O-CB 3.44Å; V836-I839 PolarHBondContact O-N 3.28Å; T837-I839 PolarHBondContact O-N 3.01Å; I839-K842 PolarHBondContact O-N 3.4Å; I839-L843 HydrophobicContact CG2-CD1 3.9Å; I839-L843 HydrophobicContact CG2-CG 4.3Å; I839-L843 VanDerWaalsContact O-CB 3.28Å; I839-L843 WeakPolarHBondContact O-CB 3.25Å; I839-L843 WeakPolarHBondContact O-CG 3.46Å; I839-L843 PolarHBondContact O-N 3.42Å; I839-I847 HydrophobicContact CG2-CD1 4.19Å; I839-I847 HydrophobicContact CG2-CG1 4.1Å |
| 840 | V | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 178.8 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | V836 T837 K842 D844 I847 L883 A886 L887 H890 | V836-V840 HydrophobicContact CG1-CG2 4.41Å; V836-V840 VanDerWaalsContact O-CG2 3.32Å; V836-V840 WeakPolarHBondContact O-CG2 3.41Å; V836-V840 PolarHBondContact O-N 2.87Å; T837-V840 PolarHBondContact O-N 2.87Å; V840-K842 PolarHBondContact O-N 3.25Å; V840-D844 WeakPolarHBondContact O-CA 3.36Å; V840-D844 PolarHBondContact O-N 3.33Å; V840-I847 HydrophobicContact CG2-CG2 4.13Å; V840-L883 HydrophobicContact CG2-CD1 4.49Å; V840-A886 HydrophobicContact CB-CB 4.42Å; V840-A886 HydrophobicContact CG1-CB 4Å; V840-L887 HydrophobicContact CG1-CD2 4.14Å; V840-L887 HydrophobicContact CG2-CD2 3.9Å; V840-H890 HydrophobicContact CG1-CB 4.13Å |
| 841 | E | 94.4 | Very high | 93.7 | Very high | 95 Ų | 95 | 28.6 Ų | 28.6 | 44% | 0.444 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 178.4 | -69.2 | 177 | 165.4 | 0 | 0 | 112.2 | T837 A886 | T837-E841 HydrophobicContact CG2-CG 4.41Å; T837-E841 WeakPolarHBondContact O-CG 3.4Å; T837-E841 PolarHBondContact O-N 3.01Å; E841-A886 HydrophobicContact CG-CB 3.91Å |
| 842 | K | 93.2 | Very high | 93.5 | Very high | 72 Ų | 72 | 30 Ų | 30 | 31% | 0.313 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -80.3 | -41.9 | -175.5 | -171.8 | 70.4 | 177.3 | -166.1 | 0 | 113.8 | I795 S796 S798 A838 I839 V840 | I795-K842 HydrophobicContact CG2-CB 4.13Å; I795-K842 HydrophobicContact CG2-CG 4.3Å; I795-K842 WeakPolarHBondContact O-CG 3.42Å; S796-K842 PolarHBondContact O-NZ 3.33Å; S798-K842 WeakPolarHBondContact O-CE 3.49Å; S798-K842 PolarHBondContact O-NZ 3.05Å; A838-K842 WeakPolarHBondContact O-CB 3.41Å; A838-K842 PolarHBondContact O-N 3.49Å; I839-K842 PolarHBondContact O-N 3.4Å; V840-K842 PolarHBondContact O-N 3.25Å |
| 843 | L | 93.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -90.6 | -18.4 | -175.5 | -59.3 | -168.3 | 0 | 0 | 0 | 113 | V804 Y805 V809 I839 V845 V846 I847 | V804-L843 HydrophobicContact CB-CD2 4.18Å; V804-L843 HydrophobicContact CG1-CD2 4.09Å; Y805-L843 HydrophobicContact CD2-CD1 4.46Å; V809-L843 HydrophobicContact CB-CD1 4.5Å; V809-L843 HydrophobicContact CG2-CD1 3.79Å; I839-L843 HydrophobicContact CG2-CD1 3.9Å; I839-L843 HydrophobicContact CG2-CG 4.3Å; I839-L843 VanDerWaalsContact O-CB 3.28Å; I839-L843 WeakPolarHBondContact O-CB 3.25Å; I839-L843 WeakPolarHBondContact O-CG 3.46Å; I839-L843 PolarHBondContact O-N 3.42Å; L843-V845 PolarHBondContact O-N 3.46Å; L843-V845 VanDerWaalsContact O-N 3.16Å; L843-V846 HydrophobicContact CB-CB 4.32Å; L843-V846 WeakPolarHBondContact O-CB 3.36Å; L843-V846 WeakPolarHBondContact O-CG2 3.18Å; L843-V846 PolarHBondContact O-N 3.14Å; L843-I847 HydrophobicContact CB-CB 4.3Å; L843-I847 HydrophobicContact CD1-CD1 4.38Å |
| 844 | D | 90.7 | Very high | 93.1 | Very high | 64 Ų | 64 | 35.8 Ų | 35.8 | 34% | 0.342 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | 47.9 | -116.2 | 174 | -168.4 | 11.2 | 0 | 0 | 0 | 111.7 | V840 V846 I847 H890 C891 | V840-D844 WeakPolarHBondContact O-CA 3.36Å; V840-D844 PolarHBondContact O-N 3.33Å; D844-V846 PolarHBondContact O-N 3.48Å; D844-V846 VanDerWaalsContact O-N 3.15Å; D844-I847 PolarHBondContact O-N 2.87Å; D844-H890 WeakPolarHBondContact OD1-CA 3.39Å; D844-H890 VanDerWaalsContact OD1-CB 3.28Å; D844-H890 WeakPolarHBondContact OD1-CB 3.35Å; D844-H890 IonicContact OD1-CG 3.45Å; D844-H890 IonicContact OD1-ND1 2.78Å; D844-C891 PolarHBondContact O-SG 2.92Å |
| 845 | V | 89.4 | Confident | 93 | Very high | 92 Ų | 92 | 34.7 Ų | 34.7 | 56% | 0.558 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -63.6 | -23.9 | -176.3 | -175.5 | 0 | 0 | 0 | 0 | 113.3 | L843 I847 M848 | L843-V845 PolarHBondContact O-N 3.46Å; L843-V845 VanDerWaalsContact O-N 3.16Å; V845-I847 VanDerWaalsContact C-N 3.32Å; V845-I847 PolarHBondContact O-N 3.4Å; V845-M848 HydrophobicContact CB-CE 4.28Å; V845-M848 HydrophobicContact CG1-CE 3.87Å; V845-M848 HydrophobicContact CG2-CE 4.25Å; V845-M848 WeakPolarHBondContact O-CB 3.02Å; V845-M848 PolarHBondContact O-N 3.21Å |
| 846 | V | 91.7 | Very high | 92.7 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 26% | 0.261 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -66.6 | -32.9 | -177.1 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | Y805 L843 D844 M848 | Y805-V846 HydrophobicContact CD1-CG1 4.17Å; Y805-V846 HydrophobicContact CG-CG1 3.95Å; L843-V846 HydrophobicContact CB-CB 4.32Å; L843-V846 WeakPolarHBondContact O-CB 3.36Å; L843-V846 WeakPolarHBondContact O-CG2 3.18Å; L843-V846 PolarHBondContact O-N 3.14Å; D844-V846 PolarHBondContact O-N 3.48Å; D844-V846 VanDerWaalsContact O-N 3.15Å; V846-M848 VanDerWaalsContact C-N 3.33Å |
| 847 | I | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -88.1 | -1.5 | -178 | -152.9 | 62.6 | 0 | 0 | 0 | 113.3 | Y805 V809 F813 I839 V840 L843 D844 V845 S849 E850 V851 I854 | Y805-I847 HydrophobicContact CD2-CD1 3.64Å; Y805-I847 HydrophobicContact CE2-CD1 3.63Å; V809-I847 HydrophobicContact CG1-CD1 3.83Å; F813-I847 HydrophobicContact CE2-CD1 3.72Å; F813-I847 HydrophobicContact CE2-CG1 4.15Å; F813-I847 HydrophobicContact CZ-CD1 4.14Å; F813-I847 HydrophobicContact CZ-CG1 4.36Å; I839-I847 HydrophobicContact CG2-CD1 4.19Å; I839-I847 HydrophobicContact CG2-CG1 4.1Å; V840-I847 HydrophobicContact CG2-CG2 4.13Å; L843-I847 HydrophobicContact CB-CB 4.3Å; L843-I847 HydrophobicContact CD1-CD1 4.38Å; D844-I847 PolarHBondContact O-N 2.87Å; V845-I847 VanDerWaalsContact C-N 3.32Å; V845-I847 PolarHBondContact O-N 3.4Å; I847-S849 PolarHBondContact O-N 3.33Å; I847-S849 VanDerWaalsContact O-N 3.12Å; I847-E850 HydrophobicContact CD1-CB 4.02Å; I847-E850 HydrophobicContact CD1-CG 3.89Å; I847-E850 HydrophobicContact CG1-CB 4.13Å; I847-E850 HydrophobicContact CG1-CG 4.49Å; I847-E850 WeakPolarHBondContact O-CB 3.11Å; I847-E850 PolarHBondContact O-N 3.44Å; I847-V851 PolarHBondContact O-N 3.04Å; I847-I854 HydrophobicContact CG1-CD1 4.35Å |
| 848 | M | 89.4 | Confident | 92.3 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 19% | 0.192 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -57.6 | -33.1 | -170.6 | -166 | 178.5 | -68.1 | 0 | 0 | 113.3 | V845 V846 E850 L893 A894 | V845-M848 HydrophobicContact CB-CE 4.28Å; V845-M848 HydrophobicContact CG1-CE 3.87Å; V845-M848 HydrophobicContact CG2-CE 4.25Å; V845-M848 WeakPolarHBondContact O-CB 3.02Å; V845-M848 PolarHBondContact O-N 3.21Å; V846-M848 VanDerWaalsContact C-N 3.33Å; M848-E850 VanDerWaalsContact C-N 3.3Å; M848-E850 PolarHBondContact O-N 2.97Å; M848-L893 HydrophobicContact CE-CB 4.27Å; M848-L893 HydrophobicContact SD-CB 3.92Å; M848-A894 HydrophobicContact CG-CB 3.64Å |
| 849 | S | 91.3 | Very high | 92.2 | Very high | 84 Ų | 84 | 38.7 Ų | 38.7 | 59% | 0.587 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -71.4 | -20.3 | 176.6 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | I847 | I847-S849 PolarHBondContact O-N 3.33Å; I847-S849 VanDerWaalsContact O-N 3.12Å |
| 850 | E | 92.3 | Very high | 91.8 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -91.7 | -13.4 | -179.8 | -60.8 | -59.4 | 139.7 | 0 | 0 | 112.9 | Y805 F813 I847 M848 K853 I854 | Y805-E850 HydrophobicContact CE2-CG 3.87Å; Y805-E850 PolarHBondContact OH-OE1 2.82Å; F813-E850 HydrophobicContact CD2-CB 4.4Å; F813-E850 HydrophobicContact CD2-CG 4.48Å; F813-E850 HydrophobicContact CE2-CB 4.02Å; F813-E850 HydrophobicContact CE2-CG 4.37Å; I847-E850 HydrophobicContact CD1-CB 4.02Å; I847-E850 HydrophobicContact CD1-CG 3.89Å; I847-E850 HydrophobicContact CG1-CB 4.13Å; I847-E850 HydrophobicContact CG1-CG 4.49Å; I847-E850 WeakPolarHBondContact O-CB 3.11Å; I847-E850 PolarHBondContact O-N 3.44Å; M848-E850 VanDerWaalsContact C-N 3.3Å; M848-E850 PolarHBondContact O-N 2.97Å; E850-K853 WeakPolarHBondContact O-CA 2.85Å; E850-K853 WeakPolarHBondContact O-CB 3.4Å; E850-K853 PolarHBondContact O-N 2.72Å; E850-K853 IonicContact OE1-NZ 2.64Å; E850-K853 PolarHBondContact OE1-NZ 2.97Å; E850-K853 VanDerWaalsContact OE2-CD 3.24Å; E850-K853 WeakPolarHBondContact OE2-CD 3.31Å; E850-K853 WeakPolarHBondContact OE2-CE 3.4Å; E850-K853 IonicContact OE2-NZ 3.59Å; E850-K853 PolarHBondContact OE2-NZ 3.19Å; E850-I854 HydrophobicContact CB-CD1 4.44Å; E850-I854 PolarHBondContact O-N 3.41Å |
| 851 | V | 92.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -52.2 | -43.7 | -178 | 172.9 | 0 | 0 | 0 | 0 | 113.3 | I847 K853 I854 L855 L887 C891 A894 L895 | I847-V851 PolarHBondContact O-N 3.04Å; V851-K853 VanDerWaalsContact C-N 3.29Å; V851-K853 PolarHBondContact O-N 3.25Å; V851-I854 PolarHBondContact O-N 3.18Å; V851-L855 HydrophobicContact CG1-CD1 3.98Å; V851-L855 HydrophobicContact CG1-CG 4.33Å; V851-L855 WeakPolarHBondContact O-CG 3.2Å; V851-L855 PolarHBondContact O-N 3.3Å; V851-L887 HydrophobicContact CG1-CD2 4.03Å; V851-L887 HydrophobicContact CG2-CD2 3.94Å; V851-C891 HydrophobicContact CG2-CB 3.85Å; V851-A894 HydrophobicContact CB-CB 3.65Å; V851-A894 HydrophobicContact CG1-CB 3.77Å; V851-A894 HydrophobicContact CG2-CB 3.81Å; V851-L895 HydrophobicContact CG1-CD2 4.35Å |
| 852 | P | 91.2 | Very high | 91.5 | Very high | 65 Ų | 65 | 38.6 Ų | 38.6 | 42% | 0.422 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.8 | -37.7 | 175.3 | -24.9 | 35.8 | 0 | 0 | 0 | 113.3 | D856 | P852-D856 WeakPolarHBondContact O-CB 3.35Å; P852-D856 PolarHBondContact O-N 2.88Å |
| 853 | K | 90.9 | Very high | 91.5 | Very high | 122 Ų | 122 | 36.2 Ų | 36.2 | 53% | 0.53 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -70.7 | -39.5 | 177.2 | -60.6 | -174 | -158.2 | 150.7 | 0 | 111.6 | E850 V851 D856 A857 | E850-K853 WeakPolarHBondContact O-CA 2.85Å; E850-K853 WeakPolarHBondContact O-CB 3.4Å; E850-K853 PolarHBondContact O-N 2.72Å; E850-K853 IonicContact OE1-NZ 2.64Å; E850-K853 PolarHBondContact OE1-NZ 2.97Å; E850-K853 VanDerWaalsContact OE2-CD 3.24Å; E850-K853 WeakPolarHBondContact OE2-CD 3.31Å; E850-K853 WeakPolarHBondContact OE2-CE 3.4Å; E850-K853 IonicContact OE2-NZ 3.59Å; E850-K853 PolarHBondContact OE2-NZ 3.19Å; V851-K853 VanDerWaalsContact C-N 3.29Å; V851-K853 PolarHBondContact O-N 3.25Å; K853-D856 PolarHBondContact O-N 2.95Å; K853-A857 WeakPolarHBondContact O-CB 3.33Å; K853-A857 PolarHBondContact O-N 3.2Å; K853-A857 VanDerWaalsContact O-N 3.12Å |
| 854 | I | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.5 | -51.1 | 174.7 | -67.9 | 167.9 | 0 | 0 | 0 | 109.7 | F813 L817 V836 I847 E850 V851 A857 V858 | F813-I854 HydrophobicContact CE2-CD1 3.86Å; F813-I854 HydrophobicContact CE2-CG1 3.97Å; F813-I854 HydrophobicContact CZ-CD1 3.88Å; F813-I854 HydrophobicContact CZ-CG1 4.14Å; L817-I854 HydrophobicContact CD1-CG1 4.2Å; V836-I854 HydrophobicContact CG1-CD1 4.05Å; V836-I854 HydrophobicContact CG1-CG1 4.32Å; V836-I854 HydrophobicContact CG1-CG2 3.6Å; I847-I854 HydrophobicContact CG1-CD1 4.35Å; E850-I854 HydrophobicContact CB-CD1 4.44Å; E850-I854 PolarHBondContact O-N 3.41Å; V851-I854 PolarHBondContact O-N 3.18Å; I854-A857 PolarHBondContact O-N 3.4Å; I854-V858 HydrophobicContact CG2-CG2 4.05Å; I854-V858 WeakPolarHBondContact O-CG2 3.31Å; I854-V858 PolarHBondContact O-N 3.41Å |
| 855 | L | 91.9 | Very high | 91.3 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | -179.4 | -70.9 | 173.8 | 0 | 0 | 0 | 111.9 | V851 A857 F859 L887 L895 I898 | V851-L855 HydrophobicContact CG1-CD1 3.98Å; V851-L855 HydrophobicContact CG1-CG 4.33Å; V851-L855 WeakPolarHBondContact O-CG 3.2Å; V851-L855 PolarHBondContact O-N 3.3Å; L855-A857 VanDerWaalsContact C-N 3.27Å; L855-A857 PolarHBondContact O-N 2.95Å; L855-F859 HydrophobicContact CB-CB 4.28Å; L855-F859 HydrophobicContact CD2-CB 3.99Å; L855-F859 HydrophobicContact CD2-CD2 3.85Å; L855-F859 HydrophobicContact CD2-CG 4.16Å; L855-F859 WeakPolarHBondContact O-CB 3.31Å; L855-F859 PolarHBondContact O-N 3.48Å; L855-L887 HydrophobicContact CD2-CD1 3.98Å; L855-L895 HydrophobicContact CD1-CD2 4.05Å; L855-I898 HydrophobicContact CD1-CD1 4.24Å; L855-I898 HydrophobicContact CD1-CG2 3.88Å |
| 856 | D | 90.5 | Very high | 91.3 | Very high | 91 Ų | 91 | 33.1 Ų | 33.1 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.7 | -39.5 | 177.2 | -170.2 | 64.6 | 0 | 0 | 0 | 112.4 | Q821 P852 K853 | Q821-D856 PolarHBondContact NE2-O 3.38Å; Q821-D856 PolarHBondContact NE2-OD2 2.88Å; P852-D856 WeakPolarHBondContact O-CB 3.35Å; P852-D856 PolarHBondContact O-N 2.88Å; K853-D856 PolarHBondContact O-N 2.95Å |
| 857 | A | 91.7 | Very high | 91 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.2 | -47.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | L817 Q821 K853 I854 L855 S861 | L817-A857 HydrophobicContact CB-CB 3.77Å; L817-A857 HydrophobicContact CD2-CB 4.41Å; Q821-A857 HydrophobicContact CB-CB 4.44Å; Q821-A857 WeakPolarHBondContact CB-O 3.39Å; K853-A857 WeakPolarHBondContact O-CB 3.33Å; K853-A857 PolarHBondContact O-N 3.2Å; K853-A857 VanDerWaalsContact O-N 3.12Å; I854-A857 PolarHBondContact O-N 3.4Å; L855-A857 VanDerWaalsContact C-N 3.27Å; L855-A857 PolarHBondContact O-N 2.95Å; A857-S861 PolarHBondContact O-OG 3.02Å |
| 858 | V | 93.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -109.4 | -22.9 | -166.2 | -55 | 0 | 0 | 0 | 0 | 114.5 | L817 Y820 L833 I854 S861 T862 L883 | L817-V858 HydrophobicContact CD2-CG1 4.08Å; Y820-V858 HydrophobicContact CD1-CB 4.18Å; Y820-V858 HydrophobicContact CD1-CG1 3.78Å; Y820-V858 HydrophobicContact CE1-CB 4.04Å; Y820-V858 HydrophobicContact CE1-CG1 4.09Å; Y820-V858 HydrophobicContact CG-CG1 4.34Å; L833-V858 HydrophobicContact CD2-CB 3.79Å; L833-V858 HydrophobicContact CD2-CG1 4.2Å; L833-V858 HydrophobicContact CD2-CG2 4.07Å; I854-V858 HydrophobicContact CG2-CG2 4.05Å; I854-V858 WeakPolarHBondContact O-CG2 3.31Å; I854-V858 PolarHBondContact O-N 3.41Å; V858-S861 PolarHBondContact O-OG 3.2Å; V858-T862 WeakPolarHBondContact O-CB 3.32Å; V858-T862 PolarHBondContact O-N 3.46Å; V858-T862 PolarHBondContact O-OG1 3.15Å; V858-L883 HydrophobicContact CG2-CD2 3.88Å |
| 859 | F | 91.4 | Very high | 90.2 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.6 | -61.6 | -168.2 | -174.7 | -92.1 | 0 | 0 | 0 | 111.8 | L855 S861 T862 L863 F880 L884 L905 I906 | L855-F859 HydrophobicContact CB-CB 4.28Å; L855-F859 HydrophobicContact CD2-CB 3.99Å; L855-F859 HydrophobicContact CD2-CD2 3.85Å; L855-F859 HydrophobicContact CD2-CG 4.16Å; L855-F859 WeakPolarHBondContact O-CB 3.31Å; L855-F859 PolarHBondContact O-N 3.48Å; F859-S861 PolarHBondContact O-N 3.08Å; F859-T862 PolarHBondContact O-N 3.15Å; F859-L863 HydrophobicContact CE1-CD2 3.97Å; F859-L863 HydrophobicContact CZ-CD2 4.32Å; F859-L863 VanDerWaalsContact O-CB 3.28Å; F859-L863 WeakPolarHBondContact O-CB 3.49Å; F859-L863 PolarHBondContact O-N 2.84Å; F859-F880 AromaticContact CD2-CE2 3.64Å; F859-F880 HydrophobicContact CD2-CE2 3.64Å; F859-F880 AromaticContact CD2-CZ 3.72Å; F859-F880 HydrophobicContact CD2-CZ 3.72Å; F859-F880 AromaticContact CE2-CE2 3.94Å; F859-F880 HydrophobicContact CE2-CE2 3.94Å; F859-F880 AromaticContact CE2-CZ 3.48Å; F859-F880 HydrophobicContact CE2-CZ 3.48Å; F859-F880 VanDerWaalsContact CE2-CZ 3.48Å; F859-F880 HydrophobicContact CG-CE2 4.31Å; F859-F880 HydrophobicContact CZ-CZ 4.16Å; F859-L884 HydrophobicContact CD2-CD2 4.16Å; F859-L884 HydrophobicContact CE2-CD1 4.31Å; F859-L884 HydrophobicContact CE2-CD2 3.89Å; F859-L905 HydrophobicContact CE1-CB 3.63Å; F859-L905 HydrophobicContact CE1-CD1 4.3Å; F859-L905 HydrophobicContact CZ-CB 4.02Å; F859-I906 HydrophobicContact CD2-CG1 4.45Å; F859-I906 HydrophobicContact CE1-CG1 4.47Å; F859-I906 HydrophobicContact CE2-CG1 3.57Å; F859-I906 HydrophobicContact CZ-CB 4.36Å; F859-I906 HydrophobicContact CZ-CG1 3.59Å |
| 860 | T | 88.2 | Confident | 89.6 | Confident | 63 Ų | 63 | 43 Ų | 43 | 39% | 0.387 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.9 | -38.9 | -175.7 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | N864 | T860-N864 VanDerWaalsContact O-CG 3.31Å; T860-N864 PolarHBondContact O-N 3.21Å; T860-N864 PolarHBondContact O-ND2 3.44Å |
| 861 | S | 90.4 | Very high | 89.1 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.5 | -50.7 | 177 | 49.1 | 0 | 0 | 0 | 0 | 110.7 | A857 V858 F859 M865 | A857-S861 PolarHBondContact O-OG 3.02Å; V858-S861 PolarHBondContact O-OG 3.2Å; F859-S861 PolarHBondContact O-N 3.08Å; S861-M865 WeakPolarHBondContact O-CG 3.29Å |
| 862 | T | 93.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 179.7 | -50.1 | 0 | 0 | 0 | 0 | 112.5 | Y820 L833 V858 F859 N864 M865 I866 H876 F880 | Y820-T862 WeakPolarHBondContact CE1-OG1 3.38Å; Y820-T862 PolarHBondContact OH-OG1 3.35Å; L833-T862 HydrophobicContact CD1-CG2 3.95Å; V858-T862 WeakPolarHBondContact O-CB 3.32Å; V858-T862 PolarHBondContact O-N 3.46Å; V858-T862 PolarHBondContact O-OG1 3.15Å; F859-T862 PolarHBondContact O-N 3.15Å; T862-N864 VanDerWaalsContact C-N 3.27Å; T862-N864 PolarHBondContact O-N 2.97Å; T862-M865 WeakPolarHBondContact O-CA 3.38Å; T862-M865 VanDerWaalsContact O-CB 3.26Å; T862-M865 WeakPolarHBondContact O-CB 3.32Å; T862-M865 PolarHBondContact O-N 3.32Å; T862-I866 PolarHBondContact O-N 2.7Å; T862-H876 HydrophobicContact CG2-CB 4.17Å; T862-F880 HydrophobicContact CG2-CB 3.95Å; T862-F880 HydrophobicContact CG2-CD2 3.78Å; T862-F880 HydrophobicContact CG2-CG 4.07Å |
| 863 | L | 91.3 | Very high | 88.7 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59 | -41.1 | 179.6 | -175 | 60.2 | 0 | 0 | 0 | 111.4 | F859 M865 I866 N867 F880 L905 S909 | F859-L863 HydrophobicContact CE1-CD2 3.97Å; F859-L863 HydrophobicContact CZ-CD2 4.32Å; F859-L863 VanDerWaalsContact O-CB 3.28Å; F859-L863 WeakPolarHBondContact O-CB 3.49Å; F859-L863 PolarHBondContact O-N 2.84Å; L863-M865 PolarHBondContact O-N 3.43Å; L863-I866 HydrophobicContact CD1-CG1 4.41Å; L863-I866 PolarHBondContact O-N 3Å; L863-N867 HydrophobicContact CD1-CB 4.33Å; L863-N867 WeakPolarHBondContact O-CB 3.25Å; L863-N867 PolarHBondContact O-N 3.23Å; L863-N867 PolarHBondContact O-ND2 2.72Å; L863-N867 PolarHBondContact O-OD1 3.5Å; L863-F880 HydrophobicContact CD1-CZ 4.48Å; L863-L905 HydrophobicContact CD2-CB 4.3Å; L863-L905 HydrophobicContact CD2-CD2 4.37Å; L863-S909 VanDerWaalsContact CD1-OG 3.29Å; L863-S909 WeakPolarHBondContact CD1-OG 3.36Å |
| 864 | N | 89.6 | Confident | 88.6 | Confident | 85 Ų | 85 | 47.8 Ų | 47.8 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.8 | -16.8 | 176 | -74.2 | -33.2 | 0 | 0 | 0 | 114.3 | T860 T862 K868 | T860-N864 VanDerWaalsContact O-CG 3.31Å; T860-N864 PolarHBondContact O-N 3.21Å; T860-N864 PolarHBondContact O-ND2 3.44Å; T862-N864 VanDerWaalsContact C-N 3.27Å; T862-N864 PolarHBondContact O-N 2.97Å; N864-K868 WeakPolarHBondContact O-CE 3.42Å |
| 865 | M | 90.1 | Very high | 88.5 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 4% | 0.044 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -81.9 | -40.6 | 174.1 | -58.8 | 171.3 | 58.4 | 0 | 0 | 110.9 | P825 S861 T862 L863 Y873 | P825-M865 HydrophobicContact CB-CE 4.25Å; P825-M865 HydrophobicContact CB-CG 3.96Å; P825-M865 HydrophobicContact CB-SD 4.3Å; P825-M865 HydrophobicContact CG-CG 4.42Å; P825-M865 WeakPolarHBondContact O-CE 3.36Å; S861-M865 WeakPolarHBondContact O-CG 3.29Å; T862-M865 WeakPolarHBondContact O-CA 3.38Å; T862-M865 VanDerWaalsContact O-CB 3.26Å; T862-M865 WeakPolarHBondContact O-CB 3.32Å; T862-M865 PolarHBondContact O-N 3.32Å; L863-M865 PolarHBondContact O-N 3.43Å; M865-Y873 HydrophobicContact CB-CD2 3.97Å; M865-Y873 HydrophobicContact CB-CE2 4.34Å; M865-Y873 HydrophobicContact CB-CG 4.23Å; M865-Y873 HydrophobicContact CE-CD1 3.27Å; M865-Y873 HydrophobicContact CE-CD2 4.3Å; M865-Y873 HydrophobicContact CE-CE1 3.44Å; M865-Y873 VanDerWaalsContact CE-CE1 3.44Å; M865-Y873 HydrophobicContact CE-CE2 4.47Å; M865-Y873 HydrophobicContact CE-CG 3.73Å |
| 866 | I | 90.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -98.9 | -15.1 | -168.9 | 67.3 | 174.2 | 0 | 0 | 0 | 114.1 | T862 L863 D869 H876 R877 F880 F881 W912 | T862-I866 PolarHBondContact O-N 2.7Å; L863-I866 HydrophobicContact CD1-CG1 4.41Å; L863-I866 PolarHBondContact O-N 3Å; I866-D869 VanDerWaalsContact O-O 3.09Å; I866-H876 HydrophobicContact CG2-CB 4.43Å; I866-R877 HydrophobicContact CB-CB 4.44Å; I866-R877 HydrophobicContact CD1-CG 4.42Å; I866-R877 HydrophobicContact CG2-CB 3.9Å; I866-R877 HydrophobicContact CG2-CG 4.47Å; I866-F880 HydrophobicContact CD1-CB 4.47Å; I866-F880 HydrophobicContact CD1-CD1 3.6Å; I866-F880 HydrophobicContact CD1-CE1 3.99Å; I866-F880 HydrophobicContact CD1-CG 4.12Å; I866-F881 HydrophobicContact CD1-CE2 4.14Å; I866-F881 HydrophobicContact CD1-CZ 4.31Å; I866-W912 WeakPolarHBondContact O-CH2 3.01Å; I866-W912 WeakPolarHBondContact O-CZ2 3.32Å |
| 867 | N | 86.5 | Confident | 88.6 | Confident | 67 Ų | 67 | 49.8 Ų | 49.8 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -85.1 | -7.8 | -173.1 | 69.6 | -0.7 | 0 | 0 | 0 | 115.2 | L863 | L863-N867 HydrophobicContact CD1-CB 4.33Å; L863-N867 WeakPolarHBondContact O-CB 3.25Å; L863-N867 PolarHBondContact O-N 3.23Å; L863-N867 PolarHBondContact O-ND2 2.72Å; L863-N867 PolarHBondContact O-OD1 3.5Å |
| 868 | K | 82.7 | Confident | 88.6 | Confident | 166 Ų | 166 | 51.5 Ų | 51.5 | 72% | 0.722 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -84.8 | -34.7 | -176.2 | -63.8 | -178.2 | -175 | 168.8 | 0 | 113 | N864 | N864-K868 WeakPolarHBondContact O-CE 3.42Š|
| 869 | D | 81 | Confident | 88.6 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | trans | -154.4 | 166.6 | 179.6 | 70.6 | 76.9 | 0 | 0 | 0 | 111.2 | I866 A871 E872 R877 | I866-D869 VanDerWaalsContact O-O 3.09Å; D869-A871 WeakPolarHBondContact OD1-CA 3.39Å; D869-A871 PolarHBondContact OD1-N 3.14Å; D869-E872 PolarHBondContact OD1-N 2.91Å; D869-E872 WeakPolarHBondContact OD2-CG 3.17Å; D869-R877 PolarHBondContact O-NH2 2.91Å | ||
| 870 | F | 79 | Confident | 88.8 | Confident | 92 Ų | 92 | 52.6 Ų | 52.6 | 40% | 0.404 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -90.3 | 3.4 | -176.5 | -66.4 | -69.4 | 0 | 0 | 0 | 114.1 | R877 W912 H916 | F870-R877 VanDerWaalsContact C-NH2 3.29Å; F870-R877 PolarHBondContact O-NH1 3.22Å; F870-W912 AromaticContact CD1-CE2 3.94Å; F870-W912 AromaticContact CD1-CH2 3.74Å; F870-W912 HydrophobicContact CD1-CH2 3.74Å; F870-W912 AromaticContact CD1-CZ2 3.31Å; F870-W912 HydrophobicContact CD1-CZ2 3.31Å; F870-W912 HydrophobicContact CE1-CD2 4.27Å; F870-W912 AromaticContact CE1-CE2 3.5Å; F870-W912 HydrophobicContact CE1-CH2 4.09Å; F870-W912 AromaticContact CE1-CZ2 3.4Å; F870-W912 HydrophobicContact CE1-CZ2 3.4Å; F870-W912 VanDerWaalsContact CE1-CZ2 3.4Å; F870-W912 AromaticContact CE1-NE1 3.7Å; F870-W912 HydrophobicContact CG-CZ2 4.27Å; F870-W912 HydrophobicContact CZ-CZ2 4.41Å; F870-H916 AromaticContact CD1-CD2 3.61Å; F870-H916 AromaticContact CD1-CE1 3.77Å; F870-H916 AromaticContact CD1-CG 3.83Å; F870-H916 AromaticContact CD1-ND1 3.92Å; F870-H916 AromaticContact CD1-NE2 3.59Å; F870-H916 PolarHBondContact O-CE1 2.93Å; F870-H916 VanDerWaalsContact O-CE1 3.22Å |
| 871 | A | 82.4 | Confident | 89.1 | Confident | 78 Ų | 78 | 49.7 Ų | 49.7 | 65% | 0.645 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -116.1 | -42.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D869 | D869-A871 WeakPolarHBondContact OD1-CA 3.39Å; D869-A871 PolarHBondContact OD1-N 3.14Å |
| 872 | E | 85.7 | Confident | 89.2 | Confident | 108 Ų | 108 | 51 Ų | 51 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -68.5 | 149.4 | -176.6 | -67.1 | -167.5 | 175.1 | 0 | 0 | 111.9 | D869 R877 | D869-E872 PolarHBondContact OD1-N 2.91Å; D869-E872 WeakPolarHBondContact OD2-CG 3.17Å; E872-R877 VanDerWaalsContact O-CZ 3.23Å; E872-R877 PolarHBondContact O-NH1 2.82Å; E872-R877 PolarHBondContact O-NH2 3.05Å |
| 873 | Y | 89.2 | Confident | 89.3 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 22% | 0.216 | 27% | 0.265 | C | S | . | . | trans | 51.7 | 53.4 | 177.3 | -52.9 | -80.8 | 0 | 0 | 0 | 115.9 | M865 E875 H876 R877 | M865-Y873 HydrophobicContact CB-CD2 3.97Å; M865-Y873 HydrophobicContact CB-CE2 4.34Å; M865-Y873 HydrophobicContact CB-CG 4.23Å; M865-Y873 HydrophobicContact CE-CD1 3.27Å; M865-Y873 HydrophobicContact CE-CD2 4.3Å; M865-Y873 HydrophobicContact CE-CE1 3.44Å; M865-Y873 VanDerWaalsContact CE-CE1 3.44Å; M865-Y873 HydrophobicContact CE-CE2 4.47Å; M865-Y873 HydrophobicContact CE-CG 3.73Å; Y873-E875 VanDerWaalsContact C-N 3.33Å; Y873-E875 PolarHBondContact O-N 2.95Å; Y873-H876 AromaticContact CD1-CE1 3.89Å; Y873-H876 AromaticContact CD1-ND1 3.68Å; Y873-H876 PolarHBondContact O-N 3.08Å; Y873-R877 WeakPolarHBondContact O-CB 3.42Å; Y873-R877 PolarHBondContact O-N 3.11Å | ||
| 874 | P | 89.8 | Confident | 89.5 | Confident | 70 Ų | 70 | 50.4 Ų | 50.4 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -35.2 | -177.3 | 26.3 | -34.9 | 0 | 0 | 0 | 113.7 | R877 T878 | P874-R877 PolarHBondContact O-N 3.37Å; P874-T878 PolarHBondContact O-N 3.43Å; P874-T878 PolarHBondContact O-OG1 3.22Å |
| 875 | E | 89.8 | Confident | 89.8 | Confident | 127 Ų | 127 | 48.6 Ų | 48.6 | 59% | 0.593 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -67.5 | -47.9 | 176.9 | -66.8 | 179.2 | -170.7 | 0 | 0 | 111.4 | P830 Y873 R877 T878 N879 | P830-E875 HydrophobicContact CB-CB 3.91Å; P830-E875 HydrophobicContact CG-CB 3.96Å; P830-E875 WeakPolarHBondContact CG-OE2 3.37Å; Y873-E875 VanDerWaalsContact C-N 3.33Å; Y873-E875 PolarHBondContact O-N 2.95Å; E875-R877 VanDerWaalsContact C-N 3.29Å; E875-R877 PolarHBondContact O-N 3.4Å; E875-T878 PolarHBondContact O-N 2.87Å; E875-N879 WeakPolarHBondContact O-CB 3.4Å; E875-N879 VanDerWaalsContact O-CG 3.29Å; E875-N879 PolarHBondContact O-N 3.12Å |
| 876 | H | 93.5 | Very high | 90 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.9 | -43 | 174.7 | -60.6 | 76.2 | 0 | 0 | 0 | 111.5 | S828 T862 I866 Y873 F880 | S828-H876 PolarHBondContact O-CE1 3.5Å; S828-H876 PolarHBondContact O-NE2 2.91Å; T862-H876 HydrophobicContact CG2-CB 4.17Å; I866-H876 HydrophobicContact CG2-CB 4.43Å; Y873-H876 AromaticContact CD1-CE1 3.89Å; Y873-H876 AromaticContact CD1-ND1 3.68Å; Y873-H876 PolarHBondContact O-N 3.08Å; H876-F880 WeakPolarHBondContact O-CB 3.36Å; H876-F880 PolarHBondContact O-N 3.37Å |
| 877 | R | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -50.2 | 178.8 | -173.2 | -176.1 | -65.9 | 115.5 | -4.6 | 111.5 | I866 D869 F870 E872 Y873 P874 E875 F880 F881 W912 H916 V921 | I866-R877 HydrophobicContact CB-CB 4.44Å; I866-R877 HydrophobicContact CD1-CG 4.42Å; I866-R877 HydrophobicContact CG2-CB 3.9Å; I866-R877 HydrophobicContact CG2-CG 4.47Å; D869-R877 PolarHBondContact O-NH2 2.91Å; F870-R877 VanDerWaalsContact C-NH2 3.29Å; F870-R877 PolarHBondContact O-NH1 3.22Å; E872-R877 VanDerWaalsContact O-CZ 3.23Å; E872-R877 PolarHBondContact O-NH1 2.82Å; E872-R877 PolarHBondContact O-NH2 3.05Å; Y873-R877 WeakPolarHBondContact O-CB 3.42Å; Y873-R877 PolarHBondContact O-N 3.11Å; P874-R877 PolarHBondContact O-N 3.37Å; E875-R877 VanDerWaalsContact C-N 3.29Å; E875-R877 PolarHBondContact O-N 3.4Å; R877-F880 PolarHBondContact O-N 3.14Å; R877-F881 HydrophobicContact CG-CD2 4.14Å; R877-F881 HydrophobicContact CG-CE2 3.92Å; R877-F881 WeakPolarHBondContact O-CD2 3.46Å; R877-F881 PolarHBondContact O-N 3.5Å; R877-W912 HydrophobicContact CG-CH2 4.48Å; R877-W912 HydrophobicContact CG-CZ3 4.13Å; R877-W912 VanDerWaalsContact NE-CH2 3.34Å; R877-H916 WeakPolarHBondContact CD-NE2 3.49Å; R877-H916 PolarHBondContact NE-NE2 3.27Å; R877-V921 HydrophobicContact CG-CG2 4.17Å |
| 878 | T | 90.4 | Very high | 90.6 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 26% | 0.258 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -52 | -179.8 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | P874 E875 F880 F881 I882 | P874-T878 PolarHBondContact O-N 3.43Å; P874-T878 PolarHBondContact O-OG1 3.22Å; E875-T878 PolarHBondContact O-N 2.87Å; T878-F880 VanDerWaalsContact C-N 3.3Å; T878-F880 PolarHBondContact O-N 2.96Å; T878-F881 PolarHBondContact O-N 3.42Å; T878-I882 HydrophobicContact CG2-CD1 3.87Å; T878-I882 WeakPolarHBondContact O-CG1 3.4Å; T878-I882 PolarHBondContact O-N 2.95Å |
| 879 | N | 93.4 | Very high | 91.1 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 15% | 0.15 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.5 | -29.8 | -177.3 | -60.9 | -12.4 | 0 | 0 | 0 | 112.6 | P830 L833 S834 E875 L883 | P830-N879 PolarHBondContact O-ND2 2.97Å; L833-N879 HydrophobicContact CB-CB 3.62Å; L833-N879 HydrophobicContact CD1-CB 4.1Å; S834-N879 PolarHBondContact OG-ND2 3.02Å; E875-N879 WeakPolarHBondContact O-CB 3.4Å; E875-N879 VanDerWaalsContact O-CG 3.29Å; E875-N879 PolarHBondContact O-N 3.12Å; N879-L883 WeakPolarHBondContact O-CB 3.43Å; N879-L883 PolarHBondContact O-N 3.04Å |
| 880 | F | 95.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 175.2 | 175.5 | -99.8 | 0 | 0 | 0 | 111.9 | L833 F859 T862 L863 I866 H876 R877 T878 L883 L884 | L833-F880 HydrophobicContact CD1-CB 4.17Å; F859-F880 AromaticContact CD2-CE2 3.64Å; F859-F880 HydrophobicContact CD2-CE2 3.64Å; F859-F880 AromaticContact CD2-CZ 3.72Å; F859-F880 HydrophobicContact CD2-CZ 3.72Å; F859-F880 AromaticContact CE2-CE2 3.94Å; F859-F880 HydrophobicContact CE2-CE2 3.94Å; F859-F880 AromaticContact CE2-CZ 3.48Å; F859-F880 HydrophobicContact CE2-CZ 3.48Å; F859-F880 VanDerWaalsContact CE2-CZ 3.48Å; F859-F880 HydrophobicContact CG-CE2 4.31Å; F859-F880 HydrophobicContact CZ-CZ 4.16Å; T862-F880 HydrophobicContact CG2-CB 3.95Å; T862-F880 HydrophobicContact CG2-CD2 3.78Å; T862-F880 HydrophobicContact CG2-CG 4.07Å; L863-F880 HydrophobicContact CD1-CZ 4.48Å; I866-F880 HydrophobicContact CD1-CB 4.47Å; I866-F880 HydrophobicContact CD1-CD1 3.6Å; I866-F880 HydrophobicContact CD1-CE1 3.99Å; I866-F880 HydrophobicContact CD1-CG 4.12Å; H876-F880 WeakPolarHBondContact O-CB 3.36Å; H876-F880 PolarHBondContact O-N 3.37Å; R877-F880 PolarHBondContact O-N 3.14Å; T878-F880 VanDerWaalsContact C-N 3.3Å; T878-F880 PolarHBondContact O-N 2.96Å; F880-L883 WeakPolarHBondContact O-CB 3.38Å; F880-L883 PolarHBondContact O-N 2.83Å; F880-L884 HydrophobicContact CD1-CD1 4.05Å; F880-L884 HydrophobicContact CE1-CD1 3.45Å; F880-L884 VanDerWaalsContact CE1-CD1 3.45Å; F880-L884 HydrophobicContact CE1-CG 4.28Å; F880-L884 HydrophobicContact CZ-CD1 3.75Å; F880-L884 HydrophobicContact CZ-CG 4.33Å; F880-L884 WeakPolarHBondContact O-CG 3.46Å; F880-L884 PolarHBondContact O-N 2.64Å |
| 881 | F | 94.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.2 | -36.9 | 178.2 | -72.7 | -62.4 | 0 | 0 | 0 | 112.2 | I866 R877 T878 L883 L884 Q885 S909 W912 A913 V921 V924 I928 | I866-F881 HydrophobicContact CD1-CE2 4.14Å; I866-F881 HydrophobicContact CD1-CZ 4.31Å; R877-F881 HydrophobicContact CG-CD2 4.14Å; R877-F881 HydrophobicContact CG-CE2 3.92Å; R877-F881 WeakPolarHBondContact O-CD2 3.46Å; R877-F881 PolarHBondContact O-N 3.5Å; T878-F881 PolarHBondContact O-N 3.42Å; F881-L883 VanDerWaalsContact C-N 3.31Å; F881-L883 PolarHBondContact O-N 3.47Å; F881-L884 HydrophobicContact CD1-CD1 4.13Å; F881-L884 HydrophobicContact CE1-CD1 4.29Å; F881-L884 PolarHBondContact O-N 2.9Å; F881-Q885 WeakPolarHBondContact O-CB 3.25Å; F881-Q885 PolarHBondContact O-N 2.89Å; F881-S909 WeakPolarHBondContact CE1-O 3.35Å; F881-W912 HydrophobicContact CE2-CE3 4.02Å; F881-W912 AromaticContact CE2-CZ3 3.89Å; F881-W912 HydrophobicContact CE2-CZ3 3.89Å; F881-W912 AromaticContact CZ-CE3 3.84Å; F881-W912 HydrophobicContact CZ-CE3 3.84Å; F881-W912 HydrophobicContact CZ-CZ3 4.19Å; F881-A913 HydrophobicContact CD1-CB 3.89Å; F881-A913 HydrophobicContact CD2-CB 4.39Å; F881-A913 HydrophobicContact CE1-CB 3.51Å; F881-A913 HydrophobicContact CE2-CB 4.04Å; F881-A913 HydrophobicContact CG-CB 4.34Å; F881-A913 HydrophobicContact CZ-CB 3.6Å; F881-V921 HydrophobicContact CD2-CG1 3.76Å; F881-V921 HydrophobicContact CE2-CG1 3.79Å; F881-V924 HydrophobicContact CB-CG1 3.85Å; F881-I928 HydrophobicContact CB-CD1 4.18Å; F881-I928 HydrophobicContact CD1-CD1 4.16Å; F881-I928 WeakPolarHBondContact O-CD1 3.48Å |
| 882 | I | 93.8 | Very high | 92.8 | Very high | 57 Ų | 57 | 31.7 Ų | 31.7 | 29% | 0.292 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 171.9 | -62.1 | 170.2 | 0 | 0 | 0 | 110.4 | T837 T878 L884 Q885 A886 | T837-I882 HydrophobicContact CG2-CG2 3.65Å; T878-I882 HydrophobicContact CG2-CD1 3.87Å; T878-I882 WeakPolarHBondContact O-CG1 3.4Å; T878-I882 PolarHBondContact O-N 2.95Å; I882-L884 PolarHBondContact O-N 3.48Å; I882-Q885 WeakPolarHBondContact O-CB 3.45Å; I882-Q885 PolarHBondContact O-N 3.3Å; I882-A886 PolarHBondContact O-N 3.46Å |
| 883 | L | 95.5 | Very high | 93 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 174.2 | 175.5 | 60 | 0 | 0 | 0 | 112.1 | L833 V836 T837 V840 V858 N879 F880 F881 Q885 A886 L887 | L833-L883 HydrophobicContact CD2-CD2 4.07Å; V836-L883 HydrophobicContact CB-CD1 4.3Å; V836-L883 HydrophobicContact CG1-CD1 3.68Å; V836-L883 HydrophobicContact CG1-CD2 4.35Å; T837-L883 VanDerWaalsContact OG1-CA 3.3Å; T837-L883 WeakPolarHBondContact OG1-CA 3.46Å; T837-L883 WeakPolarHBondContact OG1-CB 3.44Å; V840-L883 HydrophobicContact CG2-CD1 4.49Å; V858-L883 HydrophobicContact CG2-CD2 3.88Å; N879-L883 WeakPolarHBondContact O-CB 3.43Å; N879-L883 PolarHBondContact O-N 3.04Å; F880-L883 WeakPolarHBondContact O-CB 3.38Å; F880-L883 PolarHBondContact O-N 2.83Å; F881-L883 VanDerWaalsContact C-N 3.31Å; F881-L883 PolarHBondContact O-N 3.47Å; L883-Q885 VanDerWaalsContact C-N 3.3Å; L883-Q885 PolarHBondContact O-N 2.9Å; L883-A886 PolarHBondContact O-N 2.94Å; L883-L887 HydrophobicContact CD1-CD1 4.13Å; L883-L887 HydrophobicContact CD1-CG 4.1Å; L883-L887 HydrophobicContact CG-CD1 4.06Å; L883-L887 HydrophobicContact CG-CG 4.46Å; L883-L887 WeakPolarHBondContact O-CB 3.31Å; L883-L887 WeakPolarHBondContact O-CG 3.5Å; L883-L887 PolarHBondContact O-N 2.83Å |
| 884 | L | 94.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.2 | -37.1 | 176 | -72.6 | -178.8 | 0 | 0 | 0 | 112.2 | F859 F880 F881 I882 N888 I906 I928 | F859-L884 HydrophobicContact CD2-CD2 4.16Å; F859-L884 HydrophobicContact CE2-CD1 4.31Å; F859-L884 HydrophobicContact CE2-CD2 3.89Å; F880-L884 HydrophobicContact CD1-CD1 4.05Å; F880-L884 HydrophobicContact CE1-CD1 3.45Å; F880-L884 VanDerWaalsContact CE1-CD1 3.45Å; F880-L884 HydrophobicContact CE1-CG 4.28Å; F880-L884 HydrophobicContact CZ-CD1 3.75Å; F880-L884 HydrophobicContact CZ-CG 4.33Å; F880-L884 WeakPolarHBondContact O-CG 3.46Å; F880-L884 PolarHBondContact O-N 2.64Å; F881-L884 HydrophobicContact CD1-CD1 4.13Å; F881-L884 HydrophobicContact CE1-CD1 4.29Å; F881-L884 PolarHBondContact O-N 2.9Å; I882-L884 PolarHBondContact O-N 3.48Å; L884-N888 VanDerWaalsContact O-CB 3.24Å; L884-N888 WeakPolarHBondContact O-CB 3.09Å; L884-N888 PolarHBondContact O-N 3.24Å; L884-I906 HydrophobicContact CD2-CG2 4.49Å; L884-I928 HydrophobicContact CB-CD1 4.23Å |
| 885 | Q | 95.1 | Very high | 93.1 | Very high | 48 Ų | 48 | 24.5 Ų | 24.5 | 22% | 0.224 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.3 | -46.4 | 173.9 | -169.5 | 179.6 | 42.8 | 0 | 0 | 111.6 | F881 I882 L883 N888 T889 E927 I928 | F881-Q885 WeakPolarHBondContact O-CB 3.25Å; F881-Q885 PolarHBondContact O-N 2.89Å; I882-Q885 WeakPolarHBondContact O-CB 3.45Å; I882-Q885 PolarHBondContact O-N 3.3Å; L883-Q885 VanDerWaalsContact C-N 3.3Å; L883-Q885 PolarHBondContact O-N 2.9Å; Q885-N888 PolarHBondContact O-N 3.02Å; Q885-T889 WeakPolarHBondContact O-CB 3.49Å; Q885-T889 PolarHBondContact O-N 2.84Å; Q885-T889 PolarHBondContact O-OG1 3.22Å; Q885-E927 PolarHBondContact NE2-OE2 2.92Å; Q885-I928 HydrophobicContact CB-CD1 4.14Å; Q885-I928 HydrophobicContact CB-CG1 3.66Å; Q885-I928 HydrophobicContact CG-CG1 4.03Å |
| 886 | A | 94.8 | Very high | 93 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T837 V840 E841 I882 L883 N888 T889 H890 | T837-A886 HydrophobicContact CG2-CB 3.77Å; V840-A886 HydrophobicContact CB-CB 4.42Å; V840-A886 HydrophobicContact CG1-CB 4Å; E841-A886 HydrophobicContact CG-CB 3.91Å; I882-A886 PolarHBondContact O-N 3.46Å; L883-A886 PolarHBondContact O-N 2.94Å; A886-N888 PolarHBondContact O-N 3.35Å; A886-T889 PolarHBondContact O-N 3.16Å; A886-H890 WeakPolarHBondContact O-CB 3.39Å; A886-H890 PolarHBondContact O-CD2 2.94Å; A886-H890 PolarHBondContact O-N 3Å |
| 887 | L | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 176.4 | -73.7 | 172.1 | 0 | 0 | 0 | 112.2 | V840 V851 L855 L883 T889 C891 F892 L895 | V840-L887 HydrophobicContact CG1-CD2 4.14Å; V840-L887 HydrophobicContact CG2-CD2 3.9Å; V851-L887 HydrophobicContact CG1-CD2 4.03Å; V851-L887 HydrophobicContact CG2-CD2 3.94Å; L855-L887 HydrophobicContact CD2-CD1 3.98Å; L883-L887 HydrophobicContact CD1-CD1 4.13Å; L883-L887 HydrophobicContact CD1-CG 4.1Å; L883-L887 HydrophobicContact CG-CD1 4.06Å; L883-L887 HydrophobicContact CG-CG 4.46Å; L883-L887 WeakPolarHBondContact O-CB 3.31Å; L883-L887 WeakPolarHBondContact O-CG 3.5Å; L883-L887 PolarHBondContact O-N 2.83Å; L887-T889 VanDerWaalsContact C-N 3.34Å; L887-C891 HydrophobicContact CD2-CB 4.15Å; L887-C891 CarbonylContact O-C 3.58Å; L887-C891 VanDerWaalsContact O-CA 3.29Å; L887-C891 WeakPolarHBondContact O-CA 3.42Å; L887-C891 PolarHBondContact O-N 3.28Å; L887-F892 PolarHBondContact O-N 2.84Å; L887-F892 VanDerWaalsContact O-N 3.08Å; L887-L895 HydrophobicContact CB-CD1 4.29Å; L887-L895 HydrophobicContact CB-CD2 4.39Å |
| 888 | N | 94.4 | Very high | 92.6 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.027 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.6 | -33.4 | 176.4 | -172 | 26 | 0 | 0 | 0 | 111.7 | L884 Q885 A886 F892 L895 I928 L932 N935 | L884-N888 VanDerWaalsContact O-CB 3.24Å; L884-N888 WeakPolarHBondContact O-CB 3.09Å; L884-N888 PolarHBondContact O-N 3.24Å; Q885-N888 PolarHBondContact O-N 3.02Å; A886-N888 PolarHBondContact O-N 3.35Å; N888-F892 WeakPolarHBondContact O-CB 2.83Å; N888-F892 VanDerWaalsContact OD1-CD2 3.32Å; N888-F892 WeakPolarHBondContact OD1-CD2 3.46Å; N888-L895 HydrophobicContact CB-CD1 4.32Å; N888-I928 PolarHBondContact ND2-O 3.45Å; N888-L932 WeakPolarHBondContact ND2-CA 3.48Å; N888-L932 PolarHBondContact ND2-N 3.01Å; N888-L932 VanDerWaalsContact ND2-N 3.1Å; N888-N935 PolarHBondContact O-ND2 3.37Å; N888-N935 PolarHBondContact OD1-ND2 3.01Å |
| 889 | T | 93.7 | Very high | 92.6 | Very high | 49 Ų | 49 | 28.3 Ų | 28.3 | 30% | 0.301 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -77.5 | -52.5 | -178.4 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | Q885 A886 L887 R939 | Q885-T889 WeakPolarHBondContact O-CB 3.49Å; Q885-T889 PolarHBondContact O-N 2.84Å; Q885-T889 PolarHBondContact O-OG1 3.22Å; A886-T889 PolarHBondContact O-N 3.16Å; L887-T889 VanDerWaalsContact C-N 3.34Å; T889-R939 PolarHBondContact O-NH1 3.09Å |
| 890 | H | 92.7 | Very high | 92.4 | Very high | 48 Ų | 48 | 31.5 Ų | 31.5 | 22% | 0.222 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -48.2 | -170.3 | -63.4 | -73 | 0 | 0 | 0 | 111.9 | V840 D844 A886 | V840-H890 HydrophobicContact CG1-CB 4.13Å; D844-H890 WeakPolarHBondContact OD1-CA 3.39Å; D844-H890 VanDerWaalsContact OD1-CB 3.28Å; D844-H890 WeakPolarHBondContact OD1-CB 3.35Å; D844-H890 IonicContact OD1-CG 3.45Å; D844-H890 IonicContact OD1-ND1 2.78Å; A886-H890 WeakPolarHBondContact O-CB 3.39Å; A886-H890 PolarHBondContact O-CD2 2.94Å; A886-H890 PolarHBondContact O-N 3Å |
| 891 | C | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -104.7 | 26 | -171.4 | -67.4 | 0 | 0 | 0 | 0 | 114.9 | D844 V851 L887 L893 A894 L895 | D844-C891 PolarHBondContact O-SG 2.92Å; V851-C891 HydrophobicContact CG2-CB 3.85Å; L887-C891 HydrophobicContact CD2-CB 4.15Å; L887-C891 CarbonylContact O-C 3.58Å; L887-C891 VanDerWaalsContact O-CA 3.29Å; L887-C891 WeakPolarHBondContact O-CA 3.42Å; L887-C891 PolarHBondContact O-N 3.28Å; C891-L893 VanDerWaalsContact C-N 3.26Å; C891-L893 PolarHBondContact O-N 2.96Å; C891-L893 VanDerWaalsContact O-N 3.1Å; C891-A894 WeakPolarHBondContact O-CB 3.42Å; C891-A894 PolarHBondContact O-N 2.89Å; C891-L895 PolarHBondContact O-N 3.16Å |
| 892 | F | 92.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -51.5 | -40.5 | -173.7 | -179 | -112 | 0 | 0 | 0 | 114.5 | L887 N888 A894 L895 L896 L932 N935 I936 R939 T940 | L887-F892 PolarHBondContact O-N 2.84Å; L887-F892 VanDerWaalsContact O-N 3.08Å; N888-F892 WeakPolarHBondContact O-CB 2.83Å; N888-F892 VanDerWaalsContact OD1-CD2 3.32Å; N888-F892 WeakPolarHBondContact OD1-CD2 3.46Å; F892-A894 PolarHBondContact O-N 2.91Å; F892-L895 WeakPolarHBondContact O-CB 3.27Å; F892-L895 PolarHBondContact O-N 3.12Å; F892-L896 HydrophobicContact CD1-CD1 4.35Å; F892-L896 HydrophobicContact CE1-CD1 3.83Å; F892-L896 HydrophobicContact CE1-CD2 4.19Å; F892-L896 HydrophobicContact CE1-CG 4.03Å; F892-L896 HydrophobicContact CZ-CD1 4.35Å; F892-L896 HydrophobicContact CZ-CD2 3.86Å; F892-L896 HydrophobicContact CZ-CG 4.12Å; F892-L896 PolarHBondContact O-N 3.47Å; F892-L932 HydrophobicContact CE2-CD1 3.79Å; F892-N935 HydrophobicContact CD1-CB 3.72Å; F892-N935 HydrophobicContact CD2-CB 3.71Å; F892-N935 HydrophobicContact CE1-CB 3.62Å; F892-N935 HydrophobicContact CE2-CB 3.64Å; F892-N935 HydrophobicContact CG-CB 3.76Å; F892-N935 HydrophobicContact CZ-CB 3.58Å; F892-I936 HydrophobicContact CE2-CD1 4.47Å; F892-I936 HydrophobicContact CZ-CD1 3.81Å; F892-I936 HydrophobicContact CZ-CG1 4.07Å; F892-R939 HydrophobicContact CD1-CB 4.11Å; F892-R939 HydrophobicContact CE1-CB 4.21Å; F892-T940 VanDerWaalsContact CE1-OG1 3.25Å; F892-T940 WeakPolarHBondContact CE1-OG1 3.33Å |
| 893 | L | 90 | Very high | 91.8 | Very high | 71 Ų | 71 | 40.1 Ų | 40.1 | 37% | 0.372 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.7 | -28.7 | -179.6 | -65 | 178.9 | 0 | 0 | 0 | 112.8 | M848 C891 L896 N897 | M848-L893 HydrophobicContact CE-CB 4.27Å; M848-L893 HydrophobicContact SD-CB 3.92Å; C891-L893 VanDerWaalsContact C-N 3.26Å; C891-L893 PolarHBondContact O-N 2.96Å; C891-L893 VanDerWaalsContact O-N 3.1Å; L893-L896 HydrophobicContact CD2-CD1 4.14Å; L893-L896 PolarHBondContact O-N 2.76Å; L893-N897 PolarHBondContact O-ND2 3.13Å; L893-N897 VanDerWaalsContact O-ND2 3.15Å |
| 894 | A | 91 | Very high | 91.7 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.2 | -36.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | M848 V851 C891 F892 L896 N897 | M848-A894 HydrophobicContact CG-CB 3.64Å; V851-A894 HydrophobicContact CB-CB 3.65Å; V851-A894 HydrophobicContact CG1-CB 3.77Å; V851-A894 HydrophobicContact CG2-CB 3.81Å; C891-A894 WeakPolarHBondContact O-CB 3.42Å; C891-A894 PolarHBondContact O-N 2.89Å; F892-A894 PolarHBondContact O-N 2.91Å; A894-L896 PolarHBondContact O-N 3.38Å; A894-N897 PolarHBondContact O-N 2.75Å |
| 895 | L | 90.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -29.4 | 176.4 | -61.5 | 179.3 | 0 | 0 | 0 | 112.1 | V851 L855 L887 N888 C891 F892 N897 I898 F903 I906 | V851-L895 HydrophobicContact CG1-CD2 4.35Å; L855-L895 HydrophobicContact CD1-CD2 4.05Å; L887-L895 HydrophobicContact CB-CD1 4.29Å; L887-L895 HydrophobicContact CB-CD2 4.39Å; N888-L895 HydrophobicContact CB-CD1 4.32Å; C891-L895 PolarHBondContact O-N 3.16Å; F892-L895 WeakPolarHBondContact O-CB 3.27Å; F892-L895 PolarHBondContact O-N 3.12Å; L895-N897 PolarHBondContact O-N 3.48Å; L895-I898 VanDerWaalsContact O-CG1 3.29Å; L895-I898 WeakPolarHBondContact O-CG1 3.5Å; L895-F903 WeakPolarHBondContact O-CD2 3.01Å; L895-I906 HydrophobicContact CD2-CD1 4.06Å |
| 896 | L | 87.9 | Confident | 91.4 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 20% | 0.204 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -21.1 | 174.4 | -66.3 | 177.5 | 0 | 0 | 0 | 113.7 | F892 L893 A894 I936 T940 | F892-L896 HydrophobicContact CD1-CD1 4.35Å; F892-L896 HydrophobicContact CE1-CD1 3.83Å; F892-L896 HydrophobicContact CE1-CD2 4.19Å; F892-L896 HydrophobicContact CE1-CG 4.03Å; F892-L896 HydrophobicContact CZ-CD1 4.35Å; F892-L896 HydrophobicContact CZ-CD2 3.86Å; F892-L896 HydrophobicContact CZ-CG 4.12Å; F892-L896 PolarHBondContact O-N 3.47Å; L893-L896 HydrophobicContact CD2-CD1 4.14Å; L893-L896 PolarHBondContact O-N 2.76Å; A894-L896 PolarHBondContact O-N 3.38Å; L896-I936 HydrophobicContact CD2-CD1 4.3Å; L896-T940 HydrophobicContact CD1-CG2 4.01Å; L896-T940 HydrophobicContact CD2-CG2 4.06Å |
| 897 | N | 87 | Confident | 91.4 | Very high | 138 Ų | 138 | 44.4 Ų | 44.4 | 74% | 0.738 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -2.2 | -175.3 | -69.4 | -42.8 | 0 | 0 | 0 | 113.8 | L893 A894 L895 | L893-N897 PolarHBondContact O-ND2 3.13Å; L893-N897 VanDerWaalsContact O-ND2 3.15Å; A894-N897 PolarHBondContact O-N 2.75Å; L895-N897 PolarHBondContact O-N 3.48Å |
| 898 | I | 89.5 | Confident | 91.3 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 7% | 0.072 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -76.8 | 159.9 | 177.6 | 75.4 | -169.5 | 0 | 0 | 0 | 111.2 | L855 L895 Q902 F903 I906 | L855-I898 HydrophobicContact CD1-CD1 4.24Å; L855-I898 HydrophobicContact CD1-CG2 3.88Å; L895-I898 VanDerWaalsContact O-CG1 3.29Å; L895-I898 WeakPolarHBondContact O-CG1 3.5Å; I898-Q902 HydrophobicContact CD1-CB 4.28Å; I898-Q902 HydrophobicContact CG1-CB 4.38Å; I898-F903 HydrophobicContact CD1-CB 4.06Å; I898-F903 HydrophobicContact CD1-CD2 4.11Å; I898-F903 HydrophobicContact CG1-CB 4.03Å; I898-F903 HydrophobicContact CG1-CD2 4.37Å; I898-I906 HydrophobicContact CD1-CD1 3.48Å; I898-I906 VanDerWaalsContact CD1-CD1 3.48Å |
| 899 | P | 90.3 | Very high | 91.3 | Very high | 70 Ų | 70 | 46.8 Ų | 46.8 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | trans | -54.8 | 138.5 | 175.4 | -26.4 | 35.5 | 0 | 0 | 0 | 112.3 | E901 Q902 F903 | P899-E901 PolarHBondContact O-N 2.86Å; P899-E901 VanDerWaalsContact O-N 3.09Å; P899-Q902 HydrophobicContact CB-CG 4.43Å; P899-Q902 WeakPolarHBondContact O-CB 3.29Å; P899-Q902 PolarHBondContact O-N 3.1Å; P899-F903 PolarHBondContact O-N 2.73Å | ||
| 900 | P | 89.2 | Confident | 91.3 | Very high | 96 Ų | 96 | 44.6 Ų | 44.6 | 62% | 0.623 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -55.6 | -31.5 | -177.9 | -28.1 | 35 | 0 | 0 | 0 | 114.7 | F903 K904 | P900-F903 PolarHBondContact O-N 2.85Å; P900-K904 PolarHBondContact O-N 3.38Å |
| 901 | E | 89.5 | Confident | 91.4 | Very high | 167 Ų | 167 | 42.8 Ų | 42.8 | 78% | 0.78 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64.9 | -42.1 | 175.9 | -63.7 | -179.2 | 177.6 | 0 | 0 | 111.9 | P899 K904 L905 | P899-E901 PolarHBondContact O-N 2.86Å; P899-E901 VanDerWaalsContact O-N 3.09Å; E901-K904 PolarHBondContact O-N 3.37Å; E901-L905 PolarHBondContact O-N 3.5Å |
| 902 | Q | 89.2 | Confident | 91.4 | Very high | 52 Ų | 52 | 45 Ų | 45 | 24% | 0.243 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.5 | -39.9 | 175.3 | -68.4 | -174.4 | -4 | 0 | 0 | 111.1 | I898 P899 K904 L905 I906 | I898-Q902 HydrophobicContact CD1-CB 4.28Å; I898-Q902 HydrophobicContact CG1-CB 4.38Å; P899-Q902 HydrophobicContact CB-CG 4.43Å; P899-Q902 WeakPolarHBondContact O-CB 3.29Å; P899-Q902 PolarHBondContact O-N 3.1Å; Q902-K904 VanDerWaalsContact C-N 3.29Å; Q902-K904 PolarHBondContact O-N 2.89Å; Q902-L905 WeakPolarHBondContact O-CB 3.41Å; Q902-L905 PolarHBondContact O-N 2.92Å; Q902-L905 VanDerWaalsContact O-N 3.12Å; Q902-I906 PolarHBondContact O-N 3Å; Q902-I906 VanDerWaalsContact O-N 3.1Å |
| 903 | F | 91.8 | Very high | 91.3 | Very high | 22 Ų | 22 | 45 Ų | 45 | 10% | 0.096 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61 | -39.4 | 175 | -167.9 | -87.6 | 0 | 0 | 0 | 111.8 | L895 I898 P899 P900 L905 I906 V907 L932 F948 Y952 | L895-F903 WeakPolarHBondContact O-CD2 3.01Å; I898-F903 HydrophobicContact CD1-CB 4.06Å; I898-F903 HydrophobicContact CD1-CD2 4.11Å; I898-F903 HydrophobicContact CG1-CB 4.03Å; I898-F903 HydrophobicContact CG1-CD2 4.37Å; P899-F903 PolarHBondContact O-N 2.73Å; P900-F903 PolarHBondContact O-N 2.85Å; F903-L905 PolarHBondContact O-N 3Å; F903-I906 WeakPolarHBondContact O-CB 3.28Å; F903-I906 PolarHBondContact O-N 3.29Å; F903-V907 HydrophobicContact CD1-CG2 4.09Å; F903-V907 HydrophobicContact CE1-CG2 3.78Å; F903-V907 PolarHBondContact O-N 3.06Å; F903-V907 VanDerWaalsContact O-N 3.12Å; F903-L932 HydrophobicContact CZ-CD1 4.4Å; F903-F948 AromaticContact CE1-CD2 3.8Å; F903-F948 HydrophobicContact CE1-CD2 3.8Å; F903-F948 AromaticContact CE1-CE2 3.85Å; F903-F948 HydrophobicContact CE1-CE2 3.85Å; F903-F948 HydrophobicContact CZ-CD2 4.14Å; F903-F948 HydrophobicContact CZ-CE2 4.14Å; F903-Y952 HydrophobicContact CD1-CE2 4.08Å; F903-Y952 HydrophobicContact CE1-CE2 4.08Å |
| 904 | K | 93.1 | Very high | 91.4 | Very high | 74 Ų | 74 | 41.7 Ų | 41.7 | 32% | 0.322 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59 | -44.9 | 172.3 | 178.1 | 164.9 | 176 | 54 | 0 | 111.8 | P900 E901 Q902 I906 V907 D908 Y952 E955 | P900-K904 PolarHBondContact O-N 3.38Å; E901-K904 PolarHBondContact O-N 3.37Å; Q902-K904 VanDerWaalsContact C-N 3.29Å; Q902-K904 PolarHBondContact O-N 2.89Å; K904-I906 PolarHBondContact O-N 3.37Å; K904-V907 PolarHBondContact O-N 3.12Å; K904-V907 VanDerWaalsContact O-N 3.11Å; K904-D908 WeakPolarHBondContact CE-OD2 3.46Å; K904-D908 IonicContact NZ-OD1 3.97Å; K904-D908 PolarHBondContact NZ-OD1 3.32Å; K904-D908 IonicContact NZ-OD2 3.74Å; K904-D908 PolarHBondContact NZ-OD2 3.38Å; K904-D908 VanDerWaalsContact O-CG 3.26Å; K904-D908 PolarHBondContact O-N 3.23Å; K904-Y952 HydrophobicContact CB-CE1 4.41Å; K904-Y952 HydrophobicContact CG-CE1 4.29Å; K904-E955 IonicContact NZ-OE1 3.22Å; K904-E955 PolarHBondContact NZ-OE1 3.47Å; K904-E955 IonicContact NZ-OE2 3.64Å |
| 905 | L | 92.2 | Very high | 91.4 | Very high | 65 Ų | 65 | 44.1 Ų | 44.1 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.4 | -33.2 | 177.7 | -67.1 | 173.9 | 0 | 0 | 0 | 112.7 | F859 L863 E901 Q902 F903 S909 | F859-L905 HydrophobicContact CE1-CB 3.63Å; F859-L905 HydrophobicContact CE1-CD1 4.3Å; F859-L905 HydrophobicContact CZ-CB 4.02Å; L863-L905 HydrophobicContact CD2-CB 4.3Å; L863-L905 HydrophobicContact CD2-CD2 4.37Å; E901-L905 PolarHBondContact O-N 3.5Å; Q902-L905 WeakPolarHBondContact O-CB 3.41Å; Q902-L905 PolarHBondContact O-N 2.92Å; Q902-L905 VanDerWaalsContact O-N 3.12Å; F903-L905 PolarHBondContact O-N 3Å; L905-S909 WeakPolarHBondContact O-CB 3.42Å; L905-S909 PolarHBondContact O-N 3.05Å; L905-S909 PolarHBondContact O-OG 3.37Å |
| 906 | I | 93.1 | Very high | 91.2 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -48.6 | 173 | -65.2 | 174.6 | 0 | 0 | 0 | 110.1 | F859 L884 L895 I898 Q902 F903 K904 D908 S909 I910 | F859-I906 HydrophobicContact CD2-CG1 4.45Å; F859-I906 HydrophobicContact CE1-CG1 4.47Å; F859-I906 HydrophobicContact CE2-CG1 3.57Å; F859-I906 HydrophobicContact CZ-CB 4.36Å; F859-I906 HydrophobicContact CZ-CG1 3.59Å; L884-I906 HydrophobicContact CD2-CG2 4.49Å; L895-I906 HydrophobicContact CD2-CD1 4.06Å; I898-I906 HydrophobicContact CD1-CD1 3.48Å; I898-I906 VanDerWaalsContact CD1-CD1 3.48Å; Q902-I906 PolarHBondContact O-N 3Å; Q902-I906 VanDerWaalsContact O-N 3.1Å; F903-I906 WeakPolarHBondContact O-CB 3.28Å; F903-I906 PolarHBondContact O-N 3.29Å; K904-I906 PolarHBondContact O-N 3.37Å; I906-D908 PolarHBondContact O-N 3.29Å; I906-S909 WeakPolarHBondContact O-CB 3.43Å; I906-S909 PolarHBondContact O-N 3.37Å; I906-I910 HydrophobicContact CG2-CD1 4.03Å; I906-I910 WeakPolarHBondContact O-CG1 3.45Å; I906-I910 PolarHBondContact O-N 3.31Å |
| 907 | V | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -45.5 | 177.2 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | F903 K904 S909 I910 I911 F948 Y952 L956 | F903-V907 HydrophobicContact CD1-CG2 4.09Å; F903-V907 HydrophobicContact CE1-CG2 3.78Å; F903-V907 PolarHBondContact O-N 3.06Å; F903-V907 VanDerWaalsContact O-N 3.12Å; K904-V907 PolarHBondContact O-N 3.12Å; K904-V907 VanDerWaalsContact O-N 3.11Å; V907-S909 VanDerWaalsContact C-N 3.28Å; V907-S909 PolarHBondContact O-N 3.48Å; V907-I910 WeakPolarHBondContact O-CB 3.31Å; V907-I910 PolarHBondContact O-N 2.98Å; V907-I911 HydrophobicContact CG1-CD1 3.96Å; V907-I911 WeakPolarHBondContact O-CG1 3.39Å; V907-I911 PolarHBondContact O-N 3.12Å; V907-F948 HydrophobicContact CG2-CE2 4.47Å; V907-Y952 HydrophobicContact CB-CD1 4.39Å; V907-Y952 HydrophobicContact CB-CE1 4.42Å; V907-Y952 HydrophobicContact CG1-CD1 3.91Å; V907-Y952 HydrophobicContact CG1-CE1 4.4Å; V907-Y952 HydrophobicContact CG1-CG 4.3Å; V907-Y952 HydrophobicContact CG2-CD1 4.41Å; V907-Y952 HydrophobicContact CG2-CE1 4.4Å; V907-Y952 HydrophobicContact CG2-CG 4.49Å; V907-L956 HydrophobicContact CG1-CD2 4.11Å |
| 908 | D | 93.7 | Very high | 90.8 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.5 | -35.9 | 177.8 | -64.6 | -11.8 | 0 | 0 | 0 | 111.3 | K904 I906 I911 W912 | K904-D908 WeakPolarHBondContact CE-OD2 3.46Å; K904-D908 IonicContact NZ-OD1 3.97Å; K904-D908 PolarHBondContact NZ-OD1 3.32Å; K904-D908 IonicContact NZ-OD2 3.74Å; K904-D908 PolarHBondContact NZ-OD2 3.38Å; K904-D908 VanDerWaalsContact O-CG 3.26Å; K904-D908 PolarHBondContact O-N 3.23Å; I906-D908 PolarHBondContact O-N 3.29Å; D908-I911 PolarHBondContact O-N 2.89Å; D908-W912 WeakPolarHBondContact O-CB 3.28Å; D908-W912 PolarHBondContact O-N 3Å |
| 909 | S | 93.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | 175.4 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | L863 F881 L905 I906 V907 I911 W912 A913 | L863-S909 VanDerWaalsContact CD1-OG 3.29Å; L863-S909 WeakPolarHBondContact CD1-OG 3.36Å; F881-S909 WeakPolarHBondContact CE1-O 3.35Å; L905-S909 WeakPolarHBondContact O-CB 3.42Å; L905-S909 PolarHBondContact O-N 3.05Å; L905-S909 PolarHBondContact O-OG 3.37Å; I906-S909 WeakPolarHBondContact O-CB 3.43Å; I906-S909 PolarHBondContact O-N 3.37Å; V907-S909 VanDerWaalsContact C-N 3.28Å; V907-S909 PolarHBondContact O-N 3.48Å; S909-I911 VanDerWaalsContact C-N 3.35Å; S909-W912 WeakPolarHBondContact O-CB 3.46Å; S909-W912 PolarHBondContact O-N 3.32Å; S909-A913 PolarHBondContact O-N 3.24Å |
| 910 | I | 94.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 174.3 | -66.8 | 163.6 | 0 | 0 | 0 | 110.1 | I906 V907 W912 A913 F914 I928 L929 L932 | I906-I910 HydrophobicContact CG2-CD1 4.03Å; I906-I910 WeakPolarHBondContact O-CG1 3.45Å; I906-I910 PolarHBondContact O-N 3.31Å; V907-I910 WeakPolarHBondContact O-CB 3.31Å; V907-I910 PolarHBondContact O-N 2.98Å; I910-W912 VanDerWaalsContact C-N 3.27Å; I910-W912 PolarHBondContact O-N 3.39Å; I910-A913 WeakPolarHBondContact O-CB 3.5Å; I910-A913 PolarHBondContact O-N 2.94Å; I910-F914 HydrophobicContact CG2-CD1 4.3Å; I910-F914 WeakPolarHBondContact O-CD1 3.25Å; I910-F914 PolarHBondContact O-N 2.92Å; I910-F914 VanDerWaalsContact O-N 3.14Å; I910-I928 HydrophobicContact CD1-CG2 3.59Å; I910-I928 HydrophobicContact CG1-CG2 3.74Å; I910-L929 HydrophobicContact CG2-CB 3.74Å; I910-L929 HydrophobicContact CG2-CD1 4.36Å; I910-L929 HydrophobicContact CG2-CG 4.47Å; I910-L932 HydrophobicContact CD1-CD2 3.83Å |
| 911 | I | 94 | Very high | 90.2 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 5% | 0.046 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.3 | -41 | 174.4 | -69.2 | 160.7 | 0 | 0 | 0 | 111.6 | V907 D908 S909 F914 K915 E955 L956 H959 | V907-I911 HydrophobicContact CG1-CD1 3.96Å; V907-I911 WeakPolarHBondContact O-CG1 3.39Å; V907-I911 PolarHBondContact O-N 3.12Å; D908-I911 PolarHBondContact O-N 2.89Å; S909-I911 VanDerWaalsContact C-N 3.35Å; I911-F914 HydrophobicContact CB-CE1 4.15Å; I911-F914 HydrophobicContact CB-CZ 4.07Å; I911-F914 HydrophobicContact CG1-CE1 3.91Å; I911-F914 HydrophobicContact CG1-CZ 3.92Å; I911-F914 HydrophobicContact CG2-CE2 4.49Å; I911-F914 HydrophobicContact CG2-CZ 4.05Å; I911-K915 HydrophobicContact CG2-CD 4.15Å; I911-K915 WeakPolarHBondContact O-CD 3.19Å; I911-K915 VanDerWaalsContact O-CG 3.3Å; I911-K915 WeakPolarHBondContact O-CG 3.37Å; I911-K915 PolarHBondContact O-N 3.16Å; I911-E955 HydrophobicContact CD1-CG 4.28Å; I911-L956 HydrophobicContact CD1-CD2 4.07Å; I911-L956 HydrophobicContact CG1-CD2 3.84Å; I911-H959 HydrophobicContact CG2-CB 4.1Å; I911-H959 VanDerWaalsContact CG2-CD2 3.47Å; I911-H959 WeakPolarHBondContact CG2-CD2 3.38Å |
| 912 | W | 92.3 | Very high | 90.2 | Very high | 48 Ų | 48 | 33.9 Ų | 33.9 | 18% | 0.182 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.3 | -40.9 | 176.5 | -172.2 | 93.5 | 0 | 0 | 0 | 111.7 | I866 F870 R877 F881 D908 S909 I910 K915 H916 | I866-W912 WeakPolarHBondContact O-CH2 3.01Å; I866-W912 WeakPolarHBondContact O-CZ2 3.32Å; F870-W912 AromaticContact CD1-CE2 3.94Å; F870-W912 AromaticContact CD1-CH2 3.74Å; F870-W912 HydrophobicContact CD1-CH2 3.74Å; F870-W912 AromaticContact CD1-CZ2 3.31Å; F870-W912 HydrophobicContact CD1-CZ2 3.31Å; F870-W912 HydrophobicContact CE1-CD2 4.27Å; F870-W912 AromaticContact CE1-CE2 3.5Å; F870-W912 HydrophobicContact CE1-CH2 4.09Å; F870-W912 AromaticContact CE1-CZ2 3.4Å; F870-W912 HydrophobicContact CE1-CZ2 3.4Å; F870-W912 VanDerWaalsContact CE1-CZ2 3.4Å; F870-W912 AromaticContact CE1-NE1 3.7Å; F870-W912 HydrophobicContact CG-CZ2 4.27Å; F870-W912 HydrophobicContact CZ-CZ2 4.41Å; R877-W912 HydrophobicContact CG-CH2 4.48Å; R877-W912 HydrophobicContact CG-CZ3 4.13Å; R877-W912 VanDerWaalsContact NE-CH2 3.34Å; F881-W912 HydrophobicContact CE2-CE3 4.02Å; F881-W912 AromaticContact CE2-CZ3 3.89Å; F881-W912 HydrophobicContact CE2-CZ3 3.89Å; F881-W912 AromaticContact CZ-CE3 3.84Å; F881-W912 HydrophobicContact CZ-CE3 3.84Å; F881-W912 HydrophobicContact CZ-CZ3 4.19Å; D908-W912 WeakPolarHBondContact O-CB 3.28Å; D908-W912 PolarHBondContact O-N 3Å; S909-W912 WeakPolarHBondContact O-CB 3.46Å; S909-W912 PolarHBondContact O-N 3.32Å; I910-W912 VanDerWaalsContact C-N 3.27Å; I910-W912 PolarHBondContact O-N 3.39Å; W912-K915 PolarHBondContact O-N 3.13Å; W912-H916 AromaticContact CH2-CD2 3.26Å; W912-H916 WeakPolarHBondContact CH2-CD2 3.41Å; W912-H916 AromaticContact CH2-NE2 3.4Å; W912-H916 WeakPolarHBondContact CH2-NE2 3.43Å; W912-H916 AromaticContact CZ3-CD2 3.32Å; W912-H916 WeakPolarHBondContact CZ3-CD2 3.41Å; W912-H916 AromaticContact CZ3-NE2 3.88Å; W912-H916 PolarHBondContact O-N 2.78Å |
| 913 | A | 92.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.8 | -50.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F881 S909 I910 K915 H916 V921 T922 | F881-A913 HydrophobicContact CD1-CB 3.89Å; F881-A913 HydrophobicContact CD2-CB 4.39Å; F881-A913 HydrophobicContact CE1-CB 3.51Å; F881-A913 HydrophobicContact CE2-CB 4.04Å; F881-A913 HydrophobicContact CG-CB 4.34Å; F881-A913 HydrophobicContact CZ-CB 3.6Å; S909-A913 PolarHBondContact O-N 3.24Å; I910-A913 WeakPolarHBondContact O-CB 3.5Å; I910-A913 PolarHBondContact O-N 2.94Å; A913-K915 PolarHBondContact O-N 3.18Å; A913-H916 WeakPolarHBondContact O-CB 3.4Å; A913-H916 PolarHBondContact O-N 3.4Å; A913-V921 HydrophobicContact CB-CG1 4.08Å; A913-T922 WeakPolarHBondContact O-CA 3.19Å; A913-T922 PolarHBondContact O-OG1 2.99Å |
| 914 | F | 91.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -5.7 | -179.1 | 69.8 | -118.8 | 0 | 0 | 0 | 114 | I910 I911 T922 L926 L929 H959 V963 | I910-F914 HydrophobicContact CG2-CD1 4.3Å; I910-F914 WeakPolarHBondContact O-CD1 3.25Å; I910-F914 PolarHBondContact O-N 2.92Å; I910-F914 VanDerWaalsContact O-N 3.14Å; I911-F914 HydrophobicContact CB-CE1 4.15Å; I911-F914 HydrophobicContact CB-CZ 4.07Å; I911-F914 HydrophobicContact CG1-CE1 3.91Å; I911-F914 HydrophobicContact CG1-CZ 3.92Å; I911-F914 HydrophobicContact CG2-CE2 4.49Å; I911-F914 HydrophobicContact CG2-CZ 4.05Å; F914-T922 WeakPolarHBondContact O-CG2 3.19Å; F914-L926 HydrophobicContact CB-CD2 3.71Å; F914-L926 HydrophobicContact CB-CG 3.82Å; F914-L926 HydrophobicContact CG-CD2 4.19Å; F914-L929 HydrophobicContact CD1-CD2 4.03Å; F914-L929 HydrophobicContact CE1-CD2 3.76Å; F914-H959 HydrophobicContact CE2-CB 3.96Å; F914-H959 HydrophobicContact CZ-CB 3.76Å; F914-V963 HydrophobicContact CD2-CG2 4.01Å; F914-V963 HydrophobicContact CE2-CG2 4.07Å |
| 915 | K | 89.9 | Confident | 90.1 | Very high | 55 Ų | 55 | 30.9 Ų | 30.9 | 24% | 0.239 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 2.2 | 171.2 | -74.3 | 175 | -174.9 | 170 | 0 | 112.9 | I911 W912 A913 H959 V963 | I911-K915 HydrophobicContact CG2-CD 4.15Å; I911-K915 WeakPolarHBondContact O-CD 3.19Å; I911-K915 VanDerWaalsContact O-CG 3.3Å; I911-K915 WeakPolarHBondContact O-CG 3.37Å; I911-K915 PolarHBondContact O-N 3.16Å; W912-K915 PolarHBondContact O-N 3.13Å; A913-K915 PolarHBondContact O-N 3.18Å; K915-H959 PolarHBondContact NZ-CE1 2.71Å; K915-H959 VanDerWaalsContact NZ-CG 3.27Å; K915-H959 PolarHBondContact NZ-ND1 3.4Å; K915-V963 HydrophobicContact CB-CG2 4.41Å; K915-V963 HydrophobicContact CD-CG2 4.48Å; K915-V963 HydrophobicContact CG-CG2 3.44Å; K915-V963 VanDerWaalsContact CG-CG2 3.44Å |
| 916 | H | 87.9 | Confident | 90.2 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | trans | -71.8 | 153.1 | -175.2 | -154.5 | -58.1 | 0 | 0 | 0 | 111.6 | F870 R877 W912 A913 M918 V921 T922 | F870-H916 AromaticContact CD1-CD2 3.61Å; F870-H916 AromaticContact CD1-CE1 3.77Å; F870-H916 AromaticContact CD1-CG 3.83Å; F870-H916 AromaticContact CD1-ND1 3.92Å; F870-H916 AromaticContact CD1-NE2 3.59Å; F870-H916 PolarHBondContact O-CE1 2.93Å; F870-H916 VanDerWaalsContact O-CE1 3.22Å; R877-H916 WeakPolarHBondContact CD-NE2 3.49Å; R877-H916 PolarHBondContact NE-NE2 3.27Å; W912-H916 AromaticContact CH2-CD2 3.26Å; W912-H916 WeakPolarHBondContact CH2-CD2 3.41Å; W912-H916 AromaticContact CH2-NE2 3.4Å; W912-H916 WeakPolarHBondContact CH2-NE2 3.43Å; W912-H916 AromaticContact CZ3-CD2 3.32Å; W912-H916 WeakPolarHBondContact CZ3-CD2 3.41Å; W912-H916 AromaticContact CZ3-NE2 3.88Å; W912-H916 PolarHBondContact O-N 2.78Å; A913-H916 WeakPolarHBondContact O-CB 3.4Å; A913-H916 PolarHBondContact O-N 3.4Å; H916-M918 VanDerWaalsContact C-N 3.28Å; H916-M918 WeakPolarHBondContact CE1-CE 3.5Å; H916-M918 PolarHBondContact ND1-N 3.41Å; H916-M918 WeakPolarHBondContact NE2-CE 3.36Å; H916-M918 PolarHBondContact O-N 3.22Å; H916-V921 HydrophobicContact CB-CB 4.18Å; H916-V921 HydrophobicContact CB-CG1 3.95Å; H916-T922 PolarHBondContact O-OG1 3.26Å | ||
| 917 | S | 83.8 | Confident | 90.2 | Very high | 74 Ų | 74 | 32.3 Ų | 32.3 | 52% | 0.517 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -75.4 | -5.6 | 168.7 | 55.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 918 | M | 82.3 | Confident | 90.3 | Very high | 53 Ų | 53 | 32.4 Ų | 32.4 | 26% | 0.261 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -106.5 | 124.1 | -176.8 | -71.5 | -166.2 | -67 | 0 | 0 | 110 | H916 N920 V921 T922 V972 | H916-M918 VanDerWaalsContact C-N 3.28Å; H916-M918 WeakPolarHBondContact CE1-CE 3.5Å; H916-M918 PolarHBondContact ND1-N 3.41Å; H916-M918 WeakPolarHBondContact NE2-CE 3.36Å; H916-M918 PolarHBondContact O-N 3.22Å; M918-N920 PolarHBondContact O-N 2.91Å; M918-V921 HydrophobicContact CB-CB 4.44Å; M918-V921 HydrophobicContact CB-CG2 4.32Å; M918-V921 HydrophobicContact CE-CG2 3.79Å; M918-V921 PolarHBondContact O-N 3.43Å; M918-T922 PolarHBondContact O-N 2.71Å; M918-T922 PolarHBondContact O-OG1 3.08Å; M918-V972 VanDerWaalsContact C-CG1 3.42Å |
| 919 | R | 84.2 | Confident | 90.5 | Very high | 112 Ų | 112 | 30 Ų | 30 | 42% | 0.423 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -50.7 | -53.2 | -175.6 | -179.8 | 163.2 | 178.7 | -171.3 | -2.2 | 113.1 | V921 T922 E923 V972 E1076 | R919-V921 PolarHBondContact O-N 3.44Å; R919-T922 PolarHBondContact O-N 2.93Å; R919-E923 HydrophobicContact CG-CG 4.24Å; R919-E923 WeakPolarHBondContact CG-OE1 3.41Å; R919-E923 IonicContact CZ-OE1 3.76Å; R919-E923 IonicContact NE-OE1 3.76Å; R919-E923 PolarHBondContact NE-OE1 3.01Å; R919-E923 IonicContact NE-OE2 3.93Å; R919-E923 IonicContact NH2-OE1 2.84Å; R919-E923 PolarHBondContact NH2-OE1 3.36Å; R919-E923 WeakPolarHBondContact O-CB 3.34Å; R919-E923 WeakPolarHBondContact O-CG 3.37Å; R919-E923 PolarHBondContact O-N 2.9Å; R919-V972 WeakPolarHBondContact CA-O 3.27Å; R919-V972 HydrophobicContact CB-CG1 4.35Å; R919-V972 WeakPolarHBondContact CB-O 3.31Å; R919-V972 WeakPolarHBondContact CD-O 3.28Å; R919-V972 WeakPolarHBondContact CG-O 3.26Å; R919-V972 VanDerWaalsContact N-CG1 3.34Å; R919-E1076 IonicContact CZ-OE2 3.22Å; R919-E1076 IonicContact NH1-OE2 3.28Å; R919-E1076 IonicContact NH2-OE2 2.62Å; R919-E1076 PolarHBondContact NH2-OE2 3.08Å |
| 920 | N | 83.3 | Confident | 90.6 | Very high | 73 Ų | 73 | 32 Ų | 32 | 39% | 0.39 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59 | -41.5 | -178 | 64.4 | -26.5 | 0 | 0 | 0 | 113.2 | M918 V924 | M918-N920 PolarHBondContact O-N 2.91Å; N920-V924 WeakPolarHBondContact O-CB 3.38Å; N920-V924 WeakPolarHBondContact O-CG2 3.34Å; N920-V924 PolarHBondContact O-N 3.09Å; N920-V924 VanDerWaalsContact O-N 3.08Å |
| 921 | V | 88.5 | Confident | 90.6 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.5 | -40 | 179.1 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | R877 F881 A913 H916 M918 R919 G925 | R877-V921 HydrophobicContact CG-CG2 4.17Å; F881-V921 HydrophobicContact CD2-CG1 3.76Å; F881-V921 HydrophobicContact CE2-CG1 3.79Å; A913-V921 HydrophobicContact CB-CG1 4.08Å; H916-V921 HydrophobicContact CB-CB 4.18Å; H916-V921 HydrophobicContact CB-CG1 3.95Å; M918-V921 HydrophobicContact CB-CB 4.44Å; M918-V921 HydrophobicContact CB-CG2 4.32Å; M918-V921 HydrophobicContact CE-CG2 3.79Å; M918-V921 PolarHBondContact O-N 3.43Å; R919-V921 PolarHBondContact O-N 3.44Å; V921-G925 PolarHBondContact O-N 3.36Å |
| 922 | T | 89.2 | Confident | 90.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.6 | -46.5 | 178.6 | -60.4 | 0 | 0 | 0 | 0 | 111.8 | A913 F914 H916 M918 R919 G925 L926 A973 F978 | A913-T922 WeakPolarHBondContact O-CA 3.19Å; A913-T922 PolarHBondContact O-OG1 2.99Å; F914-T922 WeakPolarHBondContact O-CG2 3.19Å; H916-T922 PolarHBondContact O-OG1 3.26Å; M918-T922 PolarHBondContact O-N 2.71Å; M918-T922 PolarHBondContact O-OG1 3.08Å; R919-T922 PolarHBondContact O-N 2.93Å; T922-G925 PolarHBondContact O-N 2.94Å; T922-L926 HydrophobicContact CG2-CD1 4.27Å; T922-L926 WeakPolarHBondContact O-CG 3.32Å; T922-L926 PolarHBondContact O-N 3.22Å; T922-A973 HydrophobicContact CG2-CB 3.42Å; T922-A973 VanDerWaalsContact CG2-CB 3.42Å; T922-F978 HydrophobicContact CG2-CZ 3.87Å |
| 923 | E | 89 | Confident | 90.8 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 26% | 0.262 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.2 | -52.6 | 175.9 | -73.7 | 174.3 | 165.2 | 0 | 0 | 111 | R919 G925 L926 E927 A973 | R919-E923 HydrophobicContact CG-CG 4.24Å; R919-E923 WeakPolarHBondContact CG-OE1 3.41Å; R919-E923 IonicContact CZ-OE1 3.76Å; R919-E923 IonicContact NE-OE1 3.76Å; R919-E923 PolarHBondContact NE-OE1 3.01Å; R919-E923 IonicContact NE-OE2 3.93Å; R919-E923 IonicContact NH2-OE1 2.84Å; R919-E923 PolarHBondContact NH2-OE1 3.36Å; R919-E923 WeakPolarHBondContact O-CB 3.34Å; R919-E923 WeakPolarHBondContact O-CG 3.37Å; R919-E923 PolarHBondContact O-N 2.9Å; E923-G925 VanDerWaalsContact C-N 3.28Å; E923-G925 PolarHBondContact O-N 3.5Å; E923-L926 PolarHBondContact O-N 3.41Å; E923-L926 VanDerWaalsContact O-N 3.14Å; E923-E927 WeakPolarHBondContact O-CG 3.41Å; E923-E927 PolarHBondContact O-N 3.44Å; E923-A973 HydrophobicContact CG-CB 3.8Å |
| 924 | V | 90.5 | Very high | 90.8 | Very high | 28 Ų | 28 | 35.6 Ų | 35.6 | 17% | 0.17 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -40 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | F881 N920 L926 E927 I928 | F881-V924 HydrophobicContact CB-CG1 3.85Å; N920-V924 WeakPolarHBondContact O-CB 3.38Å; N920-V924 WeakPolarHBondContact O-CG2 3.34Å; N920-V924 PolarHBondContact O-N 3.09Å; N920-V924 VanDerWaalsContact O-N 3.08Å; V924-L926 PolarHBondContact O-N 2.97Å; V924-E927 PolarHBondContact O-N 3.16Å; V924-I928 HydrophobicContact CG1-CD1 3.79Å; V924-I928 HydrophobicContact CG1-CG1 4.27Å; V924-I928 WeakPolarHBondContact O-CD1 3.49Å; V924-I928 WeakPolarHBondContact O-CG1 3.48Å; V924-I928 PolarHBondContact O-N 3.45Å |
| 925 | G | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.6 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V921 T922 E923 L929 | V921-G925 PolarHBondContact O-N 3.36Å; T922-G925 PolarHBondContact O-N 2.94Å; E923-G925 VanDerWaalsContact C-N 3.28Å; E923-G925 PolarHBondContact O-N 3.5Å; G925-L929 WeakPolarHBondContact O-CB 3.31Å; G925-L929 PolarHBondContact O-N 3.12Å |
| 926 | L | 93.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.6 | -39.3 | 176.7 | -70.1 | 169.9 | 0 | 0 | 0 | 112 | F914 T922 E923 V924 L929 L930 L960 A973 A977 F978 V981 | F914-L926 HydrophobicContact CB-CD2 3.71Å; F914-L926 HydrophobicContact CB-CG 3.82Å; F914-L926 HydrophobicContact CG-CD2 4.19Å; T922-L926 HydrophobicContact CG2-CD1 4.27Å; T922-L926 WeakPolarHBondContact O-CG 3.32Å; T922-L926 PolarHBondContact O-N 3.22Å; E923-L926 PolarHBondContact O-N 3.41Å; E923-L926 VanDerWaalsContact O-N 3.14Å; V924-L926 PolarHBondContact O-N 2.97Å; L926-L929 PolarHBondContact O-N 2.91Å; L926-L930 WeakPolarHBondContact O-CB 3.36Å; L926-L930 PolarHBondContact O-N 3.34Å; L926-L960 HydrophobicContact CD2-CD1 3.85Å; L926-A973 HydrophobicContact CD1-CB 4.4Å; L926-A977 HydrophobicContact CB-CB 4.4Å; L926-A977 HydrophobicContact CD1-CB 3.54Å; L926-F978 HydrophobicContact CD1-CD1 3.82Å; L926-F978 HydrophobicContact CD1-CD2 4.2Å; L926-F978 HydrophobicContact CD1-CE1 3.68Å; L926-F978 HydrophobicContact CD1-CE2 4.07Å; L926-F978 HydrophobicContact CD1-CG 4.06Å; L926-F978 HydrophobicContact CD1-CZ 3.8Å; L926-F978 HydrophobicContact CD2-CD1 3.7Å; L926-F978 HydrophobicContact CD2-CE1 3.74Å; L926-F978 HydrophobicContact CG-CD1 4.39Å; L926-F978 HydrophobicContact CG-CE1 4.19Å; L926-V981 HydrophobicContact CB-CG2 4.37Å; L926-V981 HydrophobicContact CD2-CG2 4.16Å |
| 927 | E | 93.9 | Very high | 91.3 | Very high | 104 Ų | 104 | 35 Ų | 35 | 49% | 0.486 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 174.6 | -72.2 | 178.7 | 177.9 | 0 | 0 | 112 | Q885 E923 V924 L929 L930 K931 | Q885-E927 PolarHBondContact NE2-OE2 2.92Å; E923-E927 WeakPolarHBondContact O-CG 3.41Å; E923-E927 PolarHBondContact O-N 3.44Å; V924-E927 PolarHBondContact O-N 3.16Å; E927-L929 VanDerWaalsContact C-N 3.31Å; E927-L929 PolarHBondContact O-N 3.36Å; E927-L930 PolarHBondContact O-N 3.39Å; E927-K931 WeakPolarHBondContact O-CB 3.5Å; E927-K931 PolarHBondContact O-N 2.86Å |
| 928 | I | 95.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 174.6 | -65.1 | 162.3 | 0 | 0 | 0 | 109.7 | F881 L884 Q885 N888 I910 V924 K931 L932 | F881-I928 HydrophobicContact CB-CD1 4.18Å; F881-I928 HydrophobicContact CD1-CD1 4.16Å; F881-I928 WeakPolarHBondContact O-CD1 3.48Å; L884-I928 HydrophobicContact CB-CD1 4.23Å; Q885-I928 HydrophobicContact CB-CD1 4.14Å; Q885-I928 HydrophobicContact CB-CG1 3.66Å; Q885-I928 HydrophobicContact CG-CG1 4.03Å; N888-I928 PolarHBondContact ND2-O 3.45Å; I910-I928 HydrophobicContact CD1-CG2 3.59Å; I910-I928 HydrophobicContact CG1-CG2 3.74Å; V924-I928 HydrophobicContact CG1-CD1 3.79Å; V924-I928 HydrophobicContact CG1-CG1 4.27Å; V924-I928 WeakPolarHBondContact O-CD1 3.49Å; V924-I928 WeakPolarHBondContact O-CG1 3.48Å; V924-I928 PolarHBondContact O-N 3.45Å; I928-K931 PolarHBondContact O-N 3.49Å; I928-L932 VanDerWaalsContact O-CB 3.23Å; I928-L932 WeakPolarHBondContact O-CB 3.43Å; I928-L932 PolarHBondContact O-N 3.28Å |
| 929 | L | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 179.7 | 179.4 | 54.4 | 0 | 0 | 0 | 111.8 | I910 F914 G925 L926 E927 K931 L932 L933 L956 V981 | I910-L929 HydrophobicContact CG2-CB 3.74Å; I910-L929 HydrophobicContact CG2-CD1 4.36Å; I910-L929 HydrophobicContact CG2-CG 4.47Å; F914-L929 HydrophobicContact CD1-CD2 4.03Å; F914-L929 HydrophobicContact CE1-CD2 3.76Å; G925-L929 WeakPolarHBondContact O-CB 3.31Å; G925-L929 PolarHBondContact O-N 3.12Å; L926-L929 PolarHBondContact O-N 2.91Å; E927-L929 VanDerWaalsContact C-N 3.31Å; E927-L929 PolarHBondContact O-N 3.36Å; L929-K931 VanDerWaalsContact C-N 3.33Å; L929-K931 PolarHBondContact O-N 2.99Å; L929-L932 WeakPolarHBondContact O-CB 3.39Å; L929-L932 PolarHBondContact O-N 3.4Å; L929-L933 HydrophobicContact CD1-CD1 4.29Å; L929-L933 HydrophobicContact CD1-CG 4.18Å; L929-L933 HydrophobicContact CG-CD1 4.28Å; L929-L933 WeakPolarHBondContact O-CG 3.37Å; L929-L933 PolarHBondContact O-N 2.68Å; L929-L956 HydrophobicContact CD1-CD1 3.99Å; L929-L956 HydrophobicContact CD1-CD2 3.79Å; L929-L956 HydrophobicContact CD1-CG 4.46Å; L929-L956 HydrophobicContact CD2-CD2 4.35Å; L929-V981 HydrophobicContact CD2-CG1 3.69Å; L929-V981 HydrophobicContact CG-CG1 3.97Å |
| 930 | L | 95.4 | Very high | 92.2 | Very high | 47 Ų | 47 | 34 Ų | 34 | 25% | 0.246 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.3 | -49.5 | 177.7 | -176 | 61.8 | 0 | 0 | 0 | 110.7 | L926 E927 L932 L933 D934 V980 V981 R984 | L926-L930 WeakPolarHBondContact O-CB 3.36Å; L926-L930 PolarHBondContact O-N 3.34Å; E927-L930 PolarHBondContact O-N 3.39Å; L930-L932 VanDerWaalsContact C-N 3.31Å; L930-L932 PolarHBondContact O-N 3.13Å; L930-L933 PolarHBondContact O-N 3.02Å; L930-D934 PolarHBondContact O-N 3Å; L930-V980 HydrophobicContact CD1-CG1 4.11Å; L930-V980 HydrophobicContact CD2-CG1 3.7Å; L930-V981 HydrophobicContact CB-CG2 4.16Å; L930-R984 HydrophobicContact CD1-CB 3.92Å; L930-R984 HydrophobicContact CD1-CG 3.98Å |
| 931 | K | 95 | Very high | 92.6 | Very high | 80 Ų | 80 | 34.3 Ų | 34.3 | 35% | 0.348 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.9 | -37.5 | 179.1 | -172.6 | 62.7 | 176.5 | -173.9 | 0 | 112.2 | E927 I928 L929 D934 N935 | E927-K931 WeakPolarHBondContact O-CB 3.5Å; E927-K931 PolarHBondContact O-N 2.86Å; I928-K931 PolarHBondContact O-N 3.49Å; L929-K931 VanDerWaalsContact C-N 3.33Å; L929-K931 PolarHBondContact O-N 2.99Å; K931-D934 PolarHBondContact O-N 2.85Å; K931-N935 VanDerWaalsContact O-CB 3.29Å; K931-N935 WeakPolarHBondContact O-CB 3.47Å; K931-N935 VanDerWaalsContact O-CG 3.25Å; K931-N935 PolarHBondContact O-N 3.24Å; K931-N935 PolarHBondContact O-ND2 3.34Å |
| 932 | L | 95.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 175.6 | 177.4 | 64.6 | 0 | 0 | 0 | 110.6 | N888 F892 F903 I910 I928 L929 L930 D934 N935 I936 F948 | N888-L932 WeakPolarHBondContact ND2-CA 3.48Å; N888-L932 PolarHBondContact ND2-N 3.01Å; N888-L932 VanDerWaalsContact ND2-N 3.1Å; F892-L932 HydrophobicContact CE2-CD1 3.79Å; F903-L932 HydrophobicContact CZ-CD1 4.4Å; I910-L932 HydrophobicContact CD1-CD2 3.83Å; I928-L932 VanDerWaalsContact O-CB 3.23Å; I928-L932 WeakPolarHBondContact O-CB 3.43Å; I928-L932 PolarHBondContact O-N 3.28Å; L929-L932 WeakPolarHBondContact O-CB 3.39Å; L929-L932 PolarHBondContact O-N 3.4Å; L930-L932 VanDerWaalsContact C-N 3.31Å; L930-L932 PolarHBondContact O-N 3.13Å; L932-D934 VanDerWaalsContact C-N 3.33Å; L932-D934 PolarHBondContact O-N 3.38Å; L932-N935 PolarHBondContact O-N 2.97Å; L932-I936 HydrophobicContact CD1-CG1 4.24Å; L932-I936 HydrophobicContact CG-CG1 4.48Å; L932-I936 WeakPolarHBondContact O-CB 3.33Å; L932-I936 WeakPolarHBondContact O-CG1 3.39Å; L932-I936 PolarHBondContact O-N 3.42Å; L932-F948 HydrophobicContact CD2-CE2 4.28Å; L932-F948 HydrophobicContact CD2-CZ 4.25Å; L932-F948 HydrophobicContact CG-CZ 4.46Å |
| 933 | L | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -43 | 177.5 | -69.2 | 171.8 | 0 | 0 | 0 | 111.5 | L929 L930 I936 A937 F948 V981 R984 L985 L988 | L929-L933 HydrophobicContact CD1-CD1 4.29Å; L929-L933 HydrophobicContact CD1-CG 4.18Å; L929-L933 HydrophobicContact CG-CD1 4.28Å; L929-L933 WeakPolarHBondContact O-CG 3.37Å; L929-L933 PolarHBondContact O-N 2.68Å; L930-L933 PolarHBondContact O-N 3.02Å; L933-I936 PolarHBondContact O-N 3.46Å; L933-A937 WeakPolarHBondContact O-CB 3.49Å; L933-A937 PolarHBondContact O-N 2.94Å; L933-F948 HydrophobicContact CD2-CE1 4.2Å; L933-V981 HydrophobicContact CD1-CG1 4.22Å; L933-R984 HydrophobicContact CB-CG 4.48Å; L933-R984 HydrophobicContact CD1-CG 4.49Å; L933-L985 HydrophobicContact CD1-CD2 3.74Å; L933-L985 HydrophobicContact CD1-CG 4Å; L933-L985 HydrophobicContact CD2-CD2 3.89Å; L933-L985 HydrophobicContact CG-CD2 4.5Å; L933-L988 HydrophobicContact CB-CD1 4.41Å; L933-L988 HydrophobicContact CD2-CD1 4.34Å |
| 934 | D | 94 | Very high | 92.8 | Very high | 48 Ų | 48 | 49.4 Ų | 49.4 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 176.4 | -76.5 | -21.2 | 0 | 0 | 0 | 112.8 | L930 K931 L932 I936 A937 T938 R984 | L930-D934 PolarHBondContact O-N 3Å; K931-D934 PolarHBondContact O-N 2.85Å; L932-D934 VanDerWaalsContact C-N 3.33Å; L932-D934 PolarHBondContact O-N 3.38Å; D934-I936 VanDerWaalsContact C-N 3.35Å; D934-A937 PolarHBondContact O-N 2.91Å; D934-T938 WeakPolarHBondContact O-CB 3.5Å; D934-T938 WeakPolarHBondContact O-CG2 3.47Å; D934-T938 PolarHBondContact O-N 3.19Å; D934-T938 PolarHBondContact O-OG1 3.28Å; D934-R984 IonicContact OD1-CZ 3.48Å; D934-R984 IonicContact OD1-NE 3.49Å; D934-R984 PolarHBondContact OD1-NE 3.45Å; D934-R984 IonicContact OD1-NH2 2.66Å; D934-R984 PolarHBondContact OD1-NH2 3.15Å |
| 935 | N | 93.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 176.7 | -79.7 | -25.7 | 0 | 0 | 0 | 111.4 | N888 F892 K931 L932 A937 T938 R939 T940 | N888-N935 PolarHBondContact O-ND2 3.37Å; N888-N935 PolarHBondContact OD1-ND2 3.01Å; F892-N935 HydrophobicContact CD1-CB 3.72Å; F892-N935 HydrophobicContact CD2-CB 3.71Å; F892-N935 HydrophobicContact CE1-CB 3.62Å; F892-N935 HydrophobicContact CE2-CB 3.64Å; F892-N935 HydrophobicContact CG-CB 3.76Å; F892-N935 HydrophobicContact CZ-CB 3.58Å; K931-N935 VanDerWaalsContact O-CB 3.29Å; K931-N935 WeakPolarHBondContact O-CB 3.47Å; K931-N935 VanDerWaalsContact O-CG 3.25Å; K931-N935 PolarHBondContact O-N 3.24Å; K931-N935 PolarHBondContact O-ND2 3.34Å; L932-N935 PolarHBondContact O-N 2.97Å; N935-A937 VanDerWaalsContact C-N 3.34Å; N935-A937 PolarHBondContact O-N 3.45Å; N935-T938 PolarHBondContact O-N 2.96Å; N935-R939 WeakPolarHBondContact O-CA 3.37Å; N935-R939 WeakPolarHBondContact O-CB 3.27Å; N935-R939 PolarHBondContact O-N 3.46Å; N935-R939 VanDerWaalsContact OD1-CD 3.31Å; N935-R939 WeakPolarHBondContact OD1-CD 3.18Å; N935-T940 PolarHBondContact O-N 3.26Å |
| 936 | I | 94.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 174.9 | -68 | -74.9 | 0 | 0 | 0 | 111.2 | F892 L896 L932 L933 D934 T940 A945 F948 Y949 | F892-I936 HydrophobicContact CE2-CD1 4.47Å; F892-I936 HydrophobicContact CZ-CD1 3.81Å; F892-I936 HydrophobicContact CZ-CG1 4.07Å; L896-I936 HydrophobicContact CD2-CD1 4.3Å; L932-I936 HydrophobicContact CD1-CG1 4.24Å; L932-I936 HydrophobicContact CG-CG1 4.48Å; L932-I936 WeakPolarHBondContact O-CB 3.33Å; L932-I936 WeakPolarHBondContact O-CG1 3.39Å; L932-I936 PolarHBondContact O-N 3.42Å; L933-I936 PolarHBondContact O-N 3.46Å; D934-I936 VanDerWaalsContact C-N 3.35Å; I936-T940 WeakPolarHBondContact O-CB 3.44Å; I936-A945 HydrophobicContact CG2-CB 3.96Å; I936-F948 HydrophobicContact CB-CD1 4.45Å; I936-F948 HydrophobicContact CD1-CB 4.21Å; I936-F948 HydrophobicContact CD1-CD1 4.41Å; I936-F948 HydrophobicContact CD1-CD2 3.81Å; I936-F948 HydrophobicContact CD1-CE2 4.28Å; I936-F948 HydrophobicContact CD1-CG 3.89Å; I936-F948 HydrophobicContact CG1-CD1 4.19Å; I936-F948 HydrophobicContact CG1-CD2 4.18Å; I936-F948 HydrophobicContact CG1-CE1 4.27Å; I936-F948 HydrophobicContact CG1-CE2 4.25Å; I936-F948 HydrophobicContact CG1-CG 4.16Å; I936-F948 HydrophobicContact CG1-CZ 4.3Å; I936-F948 HydrophobicContact CG2-CB 4.24Å; I936-F948 HydrophobicContact CG2-CD1 3.76Å; I936-F948 HydrophobicContact CG2-CE1 4.36Å; I936-F948 HydrophobicContact CG2-CG 4.06Å; I936-Y949 HydrophobicContact CG2-CE1 3.93Å |
| 937 | A | 91.4 | Very high | 92.8 | Very high | 41 Ų | 41 | 55 Ų | 55 | 34% | 0.339 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.6 | -31.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L933 D934 N935 L988 | L933-A937 WeakPolarHBondContact O-CB 3.49Å; L933-A937 PolarHBondContact O-N 2.94Å; D934-A937 PolarHBondContact O-N 2.91Å; N935-A937 VanDerWaalsContact C-N 3.34Å; N935-A937 PolarHBondContact O-N 3.45Å; A937-L988 HydrophobicContact CB-CD2 3.85Å |
| 938 | T | 90.5 | Very high | 92.8 | Very high | 103 Ų | 103 | 50.6 Ų | 50.6 | 63% | 0.632 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -114.4 | -27.9 | -168 | 60.7 | 0 | 0 | 0 | 0 | 115.3 | D934 N935 | D934-T938 WeakPolarHBondContact O-CB 3.5Å; D934-T938 WeakPolarHBondContact O-CG2 3.47Å; D934-T938 PolarHBondContact O-N 3.19Å; D934-T938 PolarHBondContact O-OG1 3.28Å; N935-T938 PolarHBondContact O-N 2.96Å |
| 939 | R | 89.3 | Confident | 92.8 | Very high | 97 Ų | 97 | 50.6 Ų | 50.6 | 37% | 0.366 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -114.7 | -9.8 | -172.1 | -61.1 | 177.9 | 71.6 | -177 | 3.9 | 114.1 | T889 F892 N935 | T889-R939 PolarHBondContact O-NH1 3.09Å; F892-R939 HydrophobicContact CD1-CB 4.11Å; F892-R939 HydrophobicContact CE1-CB 4.21Å; N935-R939 WeakPolarHBondContact O-CA 3.37Å; N935-R939 WeakPolarHBondContact O-CB 3.27Å; N935-R939 PolarHBondContact O-N 3.46Å; N935-R939 VanDerWaalsContact OD1-CD 3.31Å; N935-R939 WeakPolarHBondContact OD1-CD 3.18Å |
| 940 | T | 89.5 | Confident | 92.6 | Very high | 17 Ų | 17 | 56 Ų | 56 | 10% | 0.104 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -97.4 | 140.3 | -177.7 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | F892 L896 N935 I936 M942 L944 A945 | F892-T940 VanDerWaalsContact CE1-OG1 3.25Å; F892-T940 WeakPolarHBondContact CE1-OG1 3.33Å; L896-T940 HydrophobicContact CD1-CG2 4.01Å; L896-T940 HydrophobicContact CD2-CG2 4.06Å; N935-T940 PolarHBondContact O-N 3.26Å; I936-T940 WeakPolarHBondContact O-CB 3.44Å; T940-M942 PolarHBondContact O-N 3.3Å; T940-L944 HydrophobicContact CG2-CB 3.55Å; T940-A945 HydrophobicContact CG2-CB 4.24Å |
| 941 | P | 90.3 | Very high | 92.5 | Very high | 79 Ų | 79 | 58.3 Ų | 58.3 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | trans | -54.6 | 138 | 169.5 | -25.2 | 34.6 | 0 | 0 | 0 | 111.5 | E943 L944 A945 | P941-E943 VanDerWaalsContact C-N 3.26Å; P941-E943 PolarHBondContact O-N 2.89Å; P941-E943 VanDerWaalsContact O-N 3.09Å; P941-L944 HydrophobicContact CB-CD1 4.44Å; P941-L944 HydrophobicContact CG-CD1 4.21Å; P941-L944 PolarHBondContact O-N 2.91Å; P941-A945 PolarHBondContact O-N 3.23Å | ||
| 942 | M | 89.7 | Confident | 92.5 | Very high | 122 Ų | 122 | 55.4 Ų | 55.4 | 60% | 0.601 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -50.3 | -43.4 | -171.8 | -173 | 176.4 | 73.2 | 0 | 0 | 113.3 | T940 L944 A945 Q946 M995 | T940-M942 PolarHBondContact O-N 3.3Å; M942-L944 PolarHBondContact O-N 2.77Å; M942-A945 PolarHBondContact O-N 3.19Å; M942-Q946 HydrophobicContact CG-CG 4.44Å; M942-Q946 VanDerWaalsContact O-CG 3.31Å; M942-Q946 WeakPolarHBondContact O-CG 3.37Å; M942-Q946 PolarHBondContact O-N 3.19Å; M942-M995 HydrophobicContact SD-SD 4.27Å |
| 943 | E | 90.6 | Very high | 92.5 | Very high | 167 Ų | 167 | 55.2 Ų | 55.2 | 78% | 0.78 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.5 | -42.9 | 179.7 | -62.6 | -179.9 | 179.6 | 0 | 0 | 113.1 | P941 K947 | P941-E943 VanDerWaalsContact C-N 3.26Å; P941-E943 PolarHBondContact O-N 2.89Å; P941-E943 VanDerWaalsContact O-N 3.09Å; E943-K947 PolarHBondContact O-N 2.92Å; E943-K947 VanDerWaalsContact O-N 3.1Å |
| 944 | L | 90.9 | Very high | 92.5 | Very high | 87 Ų | 87 | 56.8 Ų | 56.8 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -72 | -38.6 | 178.2 | -77.5 | 163.7 | 0 | 0 | 0 | 111.3 | T940 P941 M942 K947 F948 | T940-L944 HydrophobicContact CG2-CB 3.55Å; P941-L944 HydrophobicContact CB-CD1 4.44Å; P941-L944 HydrophobicContact CG-CD1 4.21Å; P941-L944 PolarHBondContact O-N 2.91Å; M942-L944 PolarHBondContact O-N 2.77Å; L944-K947 PolarHBondContact O-N 3.05Å; L944-F948 PolarHBondContact O-N 3.02Å |
| 945 | A | 92.5 | Very high | 92.5 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 5% | 0.05 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I936 T940 P941 M942 K947 F948 Y949 | I936-A945 HydrophobicContact CG2-CB 3.96Å; T940-A945 HydrophobicContact CG2-CB 4.24Å; P941-A945 PolarHBondContact O-N 3.23Å; M942-A945 PolarHBondContact O-N 3.19Å; A945-K947 VanDerWaalsContact C-N 3.33Å; A945-K947 PolarHBondContact O-N 3.21Å; A945-F948 WeakPolarHBondContact O-CB 3.48Å; A945-F948 PolarHBondContact O-N 3.4Å; A945-F948 VanDerWaalsContact O-N 3.17Å; A945-Y949 HydrophobicContact CB-CE2 4.23Å; A945-Y949 WeakPolarHBondContact O-CD2 3.29Å; A945-Y949 PolarHBondContact O-N 2.91Å |
| 946 | Q | 93.8 | Very high | 92.6 | Very high | 26 Ų | 26 | 57 Ų | 57 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 174.9 | -66.1 | -46.9 | -49.6 | 0 | 0 | 112.1 | M942 F948 Y949 Q950 A993 V996 | M942-Q946 HydrophobicContact CG-CG 4.44Å; M942-Q946 VanDerWaalsContact O-CG 3.31Å; M942-Q946 WeakPolarHBondContact O-CG 3.37Å; M942-Q946 PolarHBondContact O-N 3.19Å; Q946-F948 VanDerWaalsContact C-N 3.33Å; Q946-F948 PolarHBondContact O-N 2.85Å; Q946-Y949 PolarHBondContact O-N 2.62Å; Q946-Q950 WeakPolarHBondContact O-CB 3.36Å; Q946-Q950 PolarHBondContact O-N 3.31Å; Q946-A993 PolarHBondContact NE2-O 2.83Å; Q946-V996 HydrophobicContact CB-CB 4.29Å; Q946-V996 WeakPolarHBondContact O-CG1 3.35Å |
| 947 | K | 92.2 | Very high | 92.6 | Very high | 117 Ų | 117 | 57 Ų | 57 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 174.8 | -170.4 | 177.3 | -179.8 | -177.9 | 0 | 112.3 | E943 L944 A945 Q950 L951 | E943-K947 PolarHBondContact O-N 2.92Å; E943-K947 VanDerWaalsContact O-N 3.1Å; L944-K947 PolarHBondContact O-N 3.05Å; A945-K947 VanDerWaalsContact C-N 3.33Å; A945-K947 PolarHBondContact O-N 3.21Å; K947-Q950 PolarHBondContact O-N 3Å; K947-L951 HydrophobicContact CG-CD1 4.23Å; K947-L951 WeakPolarHBondContact O-CG 3.48Å; K947-L951 PolarHBondContact O-N 3.44Å |
| 948 | F | 94.1 | Very high | 92.8 | Very high | 11 Ų | 11 | 58.9 Ų | 58.9 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | 173.8 | 174 | -85.7 | 0 | 0 | 0 | 111.2 | F903 V907 L932 L933 I936 L944 A945 Q946 Q950 L951 Y952 L956 | F903-F948 AromaticContact CE1-CD2 3.8Å; F903-F948 HydrophobicContact CE1-CD2 3.8Å; F903-F948 AromaticContact CE1-CE2 3.85Å; F903-F948 HydrophobicContact CE1-CE2 3.85Å; F903-F948 HydrophobicContact CZ-CD2 4.14Å; F903-F948 HydrophobicContact CZ-CE2 4.14Å; V907-F948 HydrophobicContact CG2-CE2 4.47Å; L932-F948 HydrophobicContact CD2-CE2 4.28Å; L932-F948 HydrophobicContact CD2-CZ 4.25Å; L932-F948 HydrophobicContact CG-CZ 4.46Å; L933-F948 HydrophobicContact CD2-CE1 4.2Å; I936-F948 HydrophobicContact CB-CD1 4.45Å; I936-F948 HydrophobicContact CD1-CB 4.21Å; I936-F948 HydrophobicContact CD1-CD1 4.41Å; I936-F948 HydrophobicContact CD1-CD2 3.81Å; I936-F948 HydrophobicContact CD1-CE2 4.28Å; I936-F948 HydrophobicContact CD1-CG 3.89Å; I936-F948 HydrophobicContact CG1-CD1 4.19Å; I936-F948 HydrophobicContact CG1-CD2 4.18Å; I936-F948 HydrophobicContact CG1-CE1 4.27Å; I936-F948 HydrophobicContact CG1-CE2 4.25Å; I936-F948 HydrophobicContact CG1-CG 4.16Å; I936-F948 HydrophobicContact CG1-CZ 4.3Å; I936-F948 HydrophobicContact CG2-CB 4.24Å; I936-F948 HydrophobicContact CG2-CD1 3.76Å; I936-F948 HydrophobicContact CG2-CE1 4.36Å; I936-F948 HydrophobicContact CG2-CG 4.06Å; L944-F948 PolarHBondContact O-N 3.02Å; A945-F948 WeakPolarHBondContact O-CB 3.48Å; A945-F948 PolarHBondContact O-N 3.4Å; A945-F948 VanDerWaalsContact O-N 3.17Å; Q946-F948 VanDerWaalsContact C-N 3.33Å; Q946-F948 PolarHBondContact O-N 2.85Å; F948-Q950 VanDerWaalsContact C-N 3.32Å; F948-Q950 PolarHBondContact O-N 3.25Å; F948-L951 PolarHBondContact O-N 3.01Å; F948-Y952 AromaticContact CD2-CD2 3.56Å; F948-Y952 HydrophobicContact CD2-CD2 3.56Å; F948-Y952 HydrophobicContact CD2-CE2 4.14Å; F948-Y952 AromaticContact CE2-CD2 3.78Å; F948-Y952 HydrophobicContact CE2-CD2 3.78Å; F948-Y952 HydrophobicContact CE2-CG 4.38Å; F948-Y952 HydrophobicContact CG-CD2 4.12Å; F948-Y952 HydrophobicContact CZ-CD2 4.5Å; F948-Y952 PolarHBondContact O-N 2.75Å; F948-L956 HydrophobicContact CE1-CD1 4.42Å; F948-L956 HydrophobicContact CZ-CD1 4.04Å |
| 949 | Y | 94.4 | Very high | 93 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 179.5 | -60.2 | -46.2 | 0 | 0 | 0 | 112.1 | I936 A945 Q946 L951 Y953 L988 V994 | I936-Y949 HydrophobicContact CG2-CE1 3.93Å; A945-Y949 HydrophobicContact CB-CE2 4.23Å; A945-Y949 WeakPolarHBondContact O-CD2 3.29Å; A945-Y949 PolarHBondContact O-N 2.91Å; Q946-Y949 PolarHBondContact O-N 2.62Å; Y949-L951 VanDerWaalsContact C-N 3.27Å; Y949-L951 PolarHBondContact O-N 3.48Å; Y949-Y953 HydrophobicContact CD1-CD2 4.27Å; Y949-Y953 WeakPolarHBondContact O-CB 3.38Å; Y949-Y953 PolarHBondContact O-N 3.2Å; Y949-L988 HydrophobicContact CE1-CD1 4.33Å; Y949-V994 HydrophobicContact CD1-CG2 4.17Å; Y949-V994 HydrophobicContact CD2-CB 4.37Å; Y949-V994 HydrophobicContact CD2-CG1 4.33Å; Y949-V994 HydrophobicContact CD2-CG2 3.9Å; Y949-V994 HydrophobicContact CE1-CG2 4.44Å; Y949-V994 HydrophobicContact CE2-CG2 4.18Å; Y949-V994 HydrophobicContact CG-CG1 4.28Å; Y949-V994 HydrophobicContact CG-CG2 3.91Å |
| 950 | Q | 92.4 | Very high | 93.2 | Very high | 113 Ų | 113 | 51.7 Ų | 51.7 | 53% | 0.528 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.5 | -36 | 177.1 | -168.9 | 178.5 | 13.1 | 0 | 0 | 113 | Q946 K947 F948 V996 | Q946-Q950 WeakPolarHBondContact O-CB 3.36Å; Q946-Q950 PolarHBondContact O-N 3.31Å; K947-Q950 PolarHBondContact O-N 3Å; F948-Q950 VanDerWaalsContact C-N 3.32Å; F948-Q950 PolarHBondContact O-N 3.25Å; Q950-V996 HydrophobicContact CB-CG1 4.09Å; Q950-V996 HydrophobicContact CB-CG2 4.09Å; Q950-V996 HydrophobicContact CG-CG2 4.14Å |
| 951 | L | 92.7 | Very high | 93.3 | Very high | 95 Ų | 95 | 51 Ų | 51 | 50% | 0.497 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -87.2 | -44.5 | -175.9 | -69.6 | 173.1 | 0 | 0 | 0 | 113 | K947 F948 Y949 | K947-L951 HydrophobicContact CG-CD1 4.23Å; K947-L951 WeakPolarHBondContact O-CG 3.48Å; K947-L951 PolarHBondContact O-N 3.44Å; F948-L951 PolarHBondContact O-N 3.01Å; Y949-L951 VanDerWaalsContact C-N 3.27Å; Y949-L951 PolarHBondContact O-N 3.48Å |
| 952 | Y | 95.2 | Very high | 93.3 | Very high | 19 Ų | 19 | 50.6 Ų | 50.6 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -116.7 | -16.2 | -163.4 | -54.9 | -67.7 | 0 | 0 | 0 | 114.7 | F903 K904 V907 F948 L954 E955 L956 | F903-Y952 HydrophobicContact CD1-CE2 4.08Å; F903-Y952 HydrophobicContact CE1-CE2 4.08Å; K904-Y952 HydrophobicContact CB-CE1 4.41Å; K904-Y952 HydrophobicContact CG-CE1 4.29Å; V907-Y952 HydrophobicContact CB-CD1 4.39Å; V907-Y952 HydrophobicContact CB-CE1 4.42Å; V907-Y952 HydrophobicContact CG1-CD1 3.91Å; V907-Y952 HydrophobicContact CG1-CE1 4.4Å; V907-Y952 HydrophobicContact CG1-CG 4.3Å; V907-Y952 HydrophobicContact CG2-CD1 4.41Å; V907-Y952 HydrophobicContact CG2-CE1 4.4Å; V907-Y952 HydrophobicContact CG2-CG 4.49Å; F948-Y952 AromaticContact CD2-CD2 3.56Å; F948-Y952 HydrophobicContact CD2-CD2 3.56Å; F948-Y952 HydrophobicContact CD2-CE2 4.14Å; F948-Y952 AromaticContact CE2-CD2 3.78Å; F948-Y952 HydrophobicContact CE2-CD2 3.78Å; F948-Y952 HydrophobicContact CE2-CG 4.38Å; F948-Y952 HydrophobicContact CG-CD2 4.12Å; F948-Y952 HydrophobicContact CZ-CD2 4.5Å; F948-Y952 PolarHBondContact O-N 2.75Å; Y952-L954 PolarHBondContact O-N 3.45Å; Y952-E955 PolarHBondContact O-N 3.3Å; Y952-L956 WeakPolarHBondContact O-CB 3.36Å; Y952-L956 VanDerWaalsContact O-CG 3.25Å; Y952-L956 WeakPolarHBondContact O-CG 3.45Å; Y952-L956 PolarHBondContact O-N 2.85Å |
| 953 | Y | 95.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -52.2 | -172.5 | -178.7 | -84.1 | 0 | 0 | 0 | 112.5 | Y949 L956 L957 L985 V989 V994 L998 L1011 | Y949-Y953 HydrophobicContact CD1-CD2 4.27Å; Y949-Y953 WeakPolarHBondContact O-CB 3.38Å; Y949-Y953 PolarHBondContact O-N 3.2Å; Y953-L956 PolarHBondContact O-N 2.89Å; Y953-L957 HydrophobicContact CE1-CD2 4.34Å; Y953-L957 WeakPolarHBondContact O-CB 3.46Å; Y953-L957 PolarHBondContact O-N 3.21Å; Y953-L985 HydrophobicContact CD2-CD2 4.03Å; Y953-L985 HydrophobicContact CE2-CB 4.3Å; Y953-L985 HydrophobicContact CE2-CD2 3.77Å; Y953-L985 VanDerWaalsContact OH-C 3.29Å; Y953-L985 PolarHBondContact OH-O 3.31Å; Y953-V989 HydrophobicContact CE1-CG2 4.05Å; Y953-V989 HydrophobicContact CE2-CG2 3.89Å; Y953-V989 VanDerWaalsContact CZ-CG2 3.45Å; Y953-V989 WeakPolarHBondContact OH-CG2 3.46Å; Y953-V994 HydrophobicContact CD2-CG2 4.38Å; Y953-V994 HydrophobicContact CE2-CG2 4.37Å; Y953-L998 HydrophobicContact CD1-CD1 3.81Å; Y953-L998 HydrophobicContact CD1-CD2 3.99Å; Y953-L998 HydrophobicContact CE1-CD1 3.91Å; Y953-L998 HydrophobicContact CG-CD2 4.14Å; Y953-L1011 HydrophobicContact CE1-CD1 3.89Å; Y953-L1011 HydrophobicContact CE1-CD2 4.05Å; Y953-L1011 WeakPolarHBondContact OH-CD2 3.44Å |
| 954 | L | 94.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 36.9 Ų | 36.9 | 18% | 0.178 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.8 | -35.7 | -179.5 | -64.6 | 176.6 | 0 | 0 | 0 | 112 | Y952 Q958 L998 F1010 L1011 Y1014 | Y952-L954 PolarHBondContact O-N 3.45Å; L954-Q958 VanDerWaalsContact O-CB 3.26Å; L954-Q958 WeakPolarHBondContact O-CB 3.25Å; L954-Q958 PolarHBondContact O-N 3.11Å; L954-L998 HydrophobicContact CD1-CB 4.46Å; L954-F1010 HydrophobicContact CD1-CE1 4.02Å; L954-F1010 HydrophobicContact CD1-CZ 4.45Å; L954-F1010 HydrophobicContact CD2-CE1 4.3Å; L954-L1011 HydrophobicContact CD2-CD1 3.86Å; L954-Y1014 HydrophobicContact CB-CE1 4.46Å; L954-Y1014 HydrophobicContact CD1-CE2 4.47Å; L954-Y1014 HydrophobicContact CD2-CD1 3.97Å; L954-Y1014 HydrophobicContact CD2-CE1 4.03Å; L954-Y1014 HydrophobicContact CD2-CG 4.34Å |
| 955 | E | 94.6 | Very high | 92.9 | Very high | 55 Ų | 55 | 34 Ų | 34 | 26% | 0.257 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.1 | -48.5 | 176.9 | -177.7 | 175.7 | -164.3 | 0 | 0 | 111.1 | K904 I911 Y952 Q958 H959 | K904-E955 IonicContact NZ-OE1 3.22Å; K904-E955 PolarHBondContact NZ-OE1 3.47Å; K904-E955 IonicContact NZ-OE2 3.64Å; I911-E955 HydrophobicContact CD1-CG 4.28Å; Y952-E955 PolarHBondContact O-N 3.3Å; E955-Q958 PolarHBondContact O-N 3.22Å; E955-H959 PolarHBondContact O-CD2 2.95Å; E955-H959 VanDerWaalsContact O-CD2 3.29Å; E955-H959 PolarHBondContact O-N 3.04Å |
| 956 | L | 95.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.3 | -47.8 | 176.7 | -72.2 | 168.9 | 0 | 0 | 0 | 111.4 | V907 I911 L929 F948 Y952 Y953 Q958 H959 L960 | V907-L956 HydrophobicContact CG1-CD2 4.11Å; I911-L956 HydrophobicContact CD1-CD2 4.07Å; I911-L956 HydrophobicContact CG1-CD2 3.84Å; L929-L956 HydrophobicContact CD1-CD1 3.99Å; L929-L956 HydrophobicContact CD1-CD2 3.79Å; L929-L956 HydrophobicContact CD1-CG 4.46Å; L929-L956 HydrophobicContact CD2-CD2 4.35Å; F948-L956 HydrophobicContact CE1-CD1 4.42Å; F948-L956 HydrophobicContact CZ-CD1 4.04Å; Y952-L956 WeakPolarHBondContact O-CB 3.36Å; Y952-L956 VanDerWaalsContact O-CG 3.25Å; Y952-L956 WeakPolarHBondContact O-CG 3.45Å; Y952-L956 PolarHBondContact O-N 2.85Å; Y953-L956 PolarHBondContact O-N 2.89Å; L956-Q958 PolarHBondContact O-N 3.07Å; L956-H959 PolarHBondContact O-N 3.06Å; L956-L960 WeakPolarHBondContact O-CB 3.48Å; L956-L960 PolarHBondContact O-N 3.2Å |
| 957 | L | 95.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 179.2 | -179.9 | 64 | 0 | 0 | 0 | 112 | Y953 H959 L960 L961 L982 L985 F986 L1011 V1015 | Y953-L957 HydrophobicContact CE1-CD2 4.34Å; Y953-L957 WeakPolarHBondContact O-CB 3.46Å; Y953-L957 PolarHBondContact O-N 3.21Å; L957-H959 VanDerWaalsContact C-N 3.32Å; L957-H959 PolarHBondContact O-N 3.49Å; L957-L960 PolarHBondContact O-N 2.84Å; L957-L961 HydrophobicContact CD1-CD1 4.14Å; L957-L961 HydrophobicContact CD1-CG 4.14Å; L957-L961 HydrophobicContact CG-CD1 4.01Å; L957-L961 HydrophobicContact CG-CG 4.42Å; L957-L961 WeakPolarHBondContact O-CB 3.29Å; L957-L961 WeakPolarHBondContact O-CG 3.26Å; L957-L961 PolarHBondContact O-N 3.38Å; L957-L982 HydrophobicContact CD1-CD1 3.59Å; L957-L985 HydrophobicContact CB-CD1 4.28Å; L957-L985 HydrophobicContact CD1-CD1 4.05Å; L957-F986 HydrophobicContact CD1-CE2 4.06Å; L957-F986 HydrophobicContact CD1-CZ 4.29Å; L957-F986 HydrophobicContact CD2-CZ 4.49Å; L957-L1011 HydrophobicContact CD2-CD1 3.55Å; L957-L1011 HydrophobicContact CD2-CD2 4.44Å; L957-L1011 HydrophobicContact CD2-CG 4.34Å; L957-V1015 HydrophobicContact CD2-CG2 3.87Å |
| 958 | Q | 94.6 | Very high | 90.6 | Very high | 81 Ų | 81 | 33.4 Ų | 33.4 | 38% | 0.379 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 178.6 | 179.2 | -179.8 | -13 | 0 | 0 | 111.2 | L954 E955 L956 C962 Y1014 L1018 | L954-Q958 VanDerWaalsContact O-CB 3.26Å; L954-Q958 WeakPolarHBondContact O-CB 3.25Å; L954-Q958 PolarHBondContact O-N 3.11Å; E955-Q958 PolarHBondContact O-N 3.22Å; L956-Q958 PolarHBondContact O-N 3.07Å; Q958-C962 WeakPolarHBondContact O-CB 3.33Å; Q958-C962 PolarHBondContact O-N 3.34Å; Q958-Y1014 PolarHBondContact OE1-OH 3.19Å; Q958-L1018 HydrophobicContact CB-CD2 4.28Å; Q958-L1018 HydrophobicContact CG-CD1 4.04Å; Q958-L1018 HydrophobicContact CG-CD2 3.98Å |
| 959 | H | 94.7 | Very high | 89.8 | Confident | 49 Ų | 49 | 34.7 Ų | 34.7 | 23% | 0.227 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.2 | -39.2 | 177.6 | -76.2 | -40 | 0 | 0 | 0 | 113.1 | I911 F914 K915 E955 L956 L957 C962 V963 | I911-H959 HydrophobicContact CG2-CB 4.1Å; I911-H959 VanDerWaalsContact CG2-CD2 3.47Å; I911-H959 WeakPolarHBondContact CG2-CD2 3.38Å; F914-H959 HydrophobicContact CE2-CB 3.96Å; F914-H959 HydrophobicContact CZ-CB 3.76Å; K915-H959 PolarHBondContact NZ-CE1 2.71Å; K915-H959 VanDerWaalsContact NZ-CG 3.27Å; K915-H959 PolarHBondContact NZ-ND1 3.4Å; E955-H959 PolarHBondContact O-CD2 2.95Å; E955-H959 VanDerWaalsContact O-CD2 3.29Å; E955-H959 PolarHBondContact O-N 3.04Å; L956-H959 PolarHBondContact O-N 3.06Å; L957-H959 VanDerWaalsContact C-N 3.32Å; L957-H959 PolarHBondContact O-N 3.49Å; H959-C962 WeakPolarHBondContact O-CB 3.39Å; H959-C962 PolarHBondContact O-N 2.52Å; H959-V963 WeakPolarHBondContact O-CG2 3.42Å; H959-V963 PolarHBondContact O-N 2.94Å; H959-V963 VanDerWaalsContact O-N 3.09Å |
| 960 | L | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 175.4 | -164.7 | 72.5 | 0 | 0 | 0 | 111.1 | L926 L956 L957 C962 V963 V964 F978 V981 L982 L985 | L926-L960 HydrophobicContact CD2-CD1 3.85Å; L956-L960 WeakPolarHBondContact O-CB 3.48Å; L956-L960 PolarHBondContact O-N 3.2Å; L957-L960 PolarHBondContact O-N 2.84Å; L960-C962 VanDerWaalsContact C-N 3.34Å; L960-C962 PolarHBondContact O-N 3.41Å; L960-V963 PolarHBondContact O-N 3.43Å; L960-V964 WeakPolarHBondContact O-CB 3.46Å; L960-V964 VanDerWaalsContact O-CG2 3.24Å; L960-V964 WeakPolarHBondContact O-CG2 3.39Å; L960-V964 PolarHBondContact O-N 2.88Å; L960-F978 HydrophobicContact CD1-CD1 3.69Å; L960-F978 HydrophobicContact CD1-CE1 4.32Å; L960-V981 HydrophobicContact CD1-CB 4.44Å; L960-V981 HydrophobicContact CD1-CG1 4.22Å; L960-V981 HydrophobicContact CD2-CB 4.06Å; L960-V981 HydrophobicContact CD2-CG1 3.72Å; L960-L982 HydrophobicContact CD2-CB 3.96Å; L960-L982 HydrophobicContact CD2-CD1 3.81Å; L960-L985 HydrophobicContact CD2-CD1 3.86Å |
| 961 | L | 92.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 176 | -74.6 | 173.4 | 0 | 0 | 0 | 111.9 | L957 V963 V964 T965 L982 V1015 L1018 F1038 | L957-L961 HydrophobicContact CD1-CD1 4.14Å; L957-L961 HydrophobicContact CD1-CG 4.14Å; L957-L961 HydrophobicContact CG-CD1 4.01Å; L957-L961 HydrophobicContact CG-CG 4.42Å; L957-L961 WeakPolarHBondContact O-CB 3.29Å; L957-L961 WeakPolarHBondContact O-CG 3.26Å; L957-L961 PolarHBondContact O-N 3.38Å; L961-V963 VanDerWaalsContact C-N 3.34Å; L961-V963 PolarHBondContact O-N 3.48Å; L961-V964 PolarHBondContact O-N 3.3Å; L961-T965 WeakPolarHBondContact O-CB 3.34Å; L961-T965 VanDerWaalsContact O-CG2 3.27Å; L961-T965 WeakPolarHBondContact O-CG2 3.37Å; L961-T965 PolarHBondContact O-N 3.44Å; L961-T965 PolarHBondContact O-OG1 3.43Å; L961-L982 HydrophobicContact CD2-CD1 4.01Å; L961-L982 HydrophobicContact CG-CD1 4.4Å; L961-V1015 HydrophobicContact CD1-CG1 3.9Å; L961-V1015 HydrophobicContact CD1-CG2 4.27Å; L961-L1018 HydrophobicContact CD1-CD2 4.06Å; L961-F1038 HydrophobicContact CD2-CE2 4.19Å; L961-F1038 HydrophobicContact CD2-CZ 4.42Å |
| 962 | C | 90.5 | Very high | 86.5 | Confident | 72 Ų | 72 | 29 Ų | 29 | 49% | 0.486 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -57 | -48.1 | 176.1 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | Q958 H959 L960 T965 D966 | Q958-C962 WeakPolarHBondContact O-CB 3.33Å; Q958-C962 PolarHBondContact O-N 3.34Å; H959-C962 WeakPolarHBondContact O-CB 3.39Å; H959-C962 PolarHBondContact O-N 2.52Å; L960-C962 VanDerWaalsContact C-N 3.34Å; L960-C962 PolarHBondContact O-N 3.41Å; C962-T965 PolarHBondContact O-N 3.12Å; C962-T965 PolarHBondContact O-OG1 3.09Å; C962-D966 PolarHBondContact O-N 3.1Å |
| 963 | V | 89.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.8 | -46.1 | 178.2 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | F914 K915 H959 L960 L961 T965 D966 L969 T970 F978 | F914-V963 HydrophobicContact CD2-CG2 4.01Å; F914-V963 HydrophobicContact CE2-CG2 4.07Å; K915-V963 HydrophobicContact CB-CG2 4.41Å; K915-V963 HydrophobicContact CD-CG2 4.48Å; K915-V963 HydrophobicContact CG-CG2 3.44Å; K915-V963 VanDerWaalsContact CG-CG2 3.44Å; H959-V963 WeakPolarHBondContact O-CG2 3.42Å; H959-V963 PolarHBondContact O-N 2.94Å; H959-V963 VanDerWaalsContact O-N 3.09Å; L960-V963 PolarHBondContact O-N 3.43Å; L961-V963 VanDerWaalsContact C-N 3.34Å; L961-V963 PolarHBondContact O-N 3.48Å; V963-T965 PolarHBondContact O-N 2.84Å; V963-D966 PolarHBondContact O-N 3.4Å; V963-L969 HydrophobicContact CG1-CB 3.8Å; V963-L969 HydrophobicContact CG1-CD1 4.46Å; V963-L969 HydrophobicContact CG2-CD1 4.2Å; V963-T970 PolarHBondContact O-OG1 2.98Å; V963-F978 HydrophobicContact CB-CE1 4.08Å; V963-F978 HydrophobicContact CB-CZ 4.5Å; V963-F978 HydrophobicContact CG1-CD1 4.25Å; V963-F978 HydrophobicContact CG1-CE1 3.32Å; V963-F978 HydrophobicContact CG1-CE2 4.21Å; V963-F978 HydrophobicContact CG1-CZ 3.3Å |
| 964 | V | 88.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.7 | -35.8 | 178.9 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | L960 L961 D966 T970 L975 F978 L1052 L1056 | L960-V964 WeakPolarHBondContact O-CB 3.46Å; L960-V964 VanDerWaalsContact O-CG2 3.24Å; L960-V964 WeakPolarHBondContact O-CG2 3.39Å; L960-V964 PolarHBondContact O-N 2.88Å; L961-V964 PolarHBondContact O-N 3.3Å; V964-D966 VanDerWaalsContact C-N 3.34Å; V964-T970 WeakPolarHBondContact CA-OG1 3.41Å; V964-T970 PolarHBondContact O-OG1 3.22Å; V964-L975 HydrophobicContact CG1-CD1 4.33Å; V964-F978 HydrophobicContact CG2-CB 3.55Å; V964-F978 HydrophobicContact CG2-CD1 3.97Å; V964-F978 HydrophobicContact CG2-CG 3.83Å; V964-L1052 HydrophobicContact CG1-CD2 3.73Å; V964-L1056 WeakPolarHBondContact O-CD2 3.45Å |
| 965 | T | 85.7 | Confident | 83.9 | Confident | 27 Ų | 27 | 27.2 Ų | 27.2 | 17% | 0.166 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -81.8 | -12.6 | 178.6 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | L961 C962 V963 F1023 F1055 L1059 | L961-T965 WeakPolarHBondContact O-CB 3.34Å; L961-T965 VanDerWaalsContact O-CG2 3.27Å; L961-T965 WeakPolarHBondContact O-CG2 3.37Å; L961-T965 PolarHBondContact O-N 3.44Å; L961-T965 PolarHBondContact O-OG1 3.43Å; C962-T965 PolarHBondContact O-N 3.12Å; C962-T965 PolarHBondContact O-OG1 3.09Å; V963-T965 PolarHBondContact O-N 2.84Å; T965-F1023 HydrophobicContact CG2-CE2 3.79Å; T965-F1023 HydrophobicContact CG2-CZ 3.98Å; T965-F1055 HydrophobicContact CG2-CE1 3.61Å; T965-F1055 HydrophobicContact CG2-CZ 3.93Å; T965-L1059 HydrophobicContact CG2-CD1 3.96Å |
| 966 | D | 82 | Confident | 83.5 | Confident | 57 Ų | 57 | 25.1 Ų | 25.1 | 31% | 0.305 | 14% | 0.141 | S | C | . | . | trans | -89.8 | 111.8 | 172.3 | -173.5 | -32.6 | 0 | 0 | 0 | 108.6 | C962 V963 V964 T968 L969 T970 | C962-D966 PolarHBondContact O-N 3.1Å; V963-D966 PolarHBondContact O-N 3.4Å; V964-D966 VanDerWaalsContact C-N 3.34Å; D966-T968 PolarHBondContact O-N 3.14Å; D966-T968 WeakPolarHBondContact OD1-CB 3.36Å; D966-T968 PolarHBondContact OD1-N 3.05Å; D966-T968 PolarHBondContact OD1-OG1 3.44Å; D966-L969 HydrophobicContact CB-CB 4.2Å; D966-L969 HydrophobicContact CB-CD1 4.09Å; D966-L969 HydrophobicContact CB-CG 4.19Å; D966-L969 PolarHBondContact O-N 3.11Å; D966-L969 PolarHBondContact OD1-N 3.17Å; D966-T970 WeakPolarHBondContact O-CB 3.48Å; D966-T970 PolarHBondContact O-N 3.19Å; D966-T970 PolarHBondContact O-OG1 3.42Å | ||
| 967 | S | 73.4 | Confident | 83.1 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.9 | -28.3 | -175 | 88.6 | 0 | 0 | 0 | 0 | 112.8 | Q971 K1060 E1065 | S967-Q971 WeakPolarHBondContact O-CB 3.29Å; S967-Q971 WeakPolarHBondContact O-CG 3.33Å; S967-Q971 PolarHBondContact O-N 3.34Å; S967-Q971 VanDerWaalsContact O-N 3.13Å; S967-K1060 WeakPolarHBondContact OG-CE 3.47Å; S967-K1060 PolarHBondContact OG-NZ 3.23Å; S967-E1065 WeakPolarHBondContact CB-OE2 3.48Å; S967-E1065 PolarHBondContact OG-OE2 2.69Å |
| 968 | T | 73.8 | Confident | 82.8 | Confident | 72 Ų | 72 | 26.2 Ų | 26.2 | 44% | 0.442 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.9 | -41.1 | 178.3 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | D966 V972 | D966-T968 PolarHBondContact O-N 3.14Å; D966-T968 WeakPolarHBondContact OD1-CB 3.36Å; D966-T968 PolarHBondContact OD1-N 3.05Å; D966-T968 PolarHBondContact OD1-OG1 3.44Å; T968-V972 WeakPolarHBondContact O-CG2 3.4Å |
| 969 | L | 76.5 | Confident | 82.7 | Confident | 39 Ų | 39 | 22.4 Ų | 22.4 | 20% | 0.204 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -77.2 | -36.4 | 178.8 | -61.3 | 177.6 | 0 | 0 | 0 | 112 | V963 D966 Q971 V972 | V963-L969 HydrophobicContact CG1-CB 3.8Å; V963-L969 HydrophobicContact CG1-CD1 4.46Å; V963-L969 HydrophobicContact CG2-CD1 4.2Å; D966-L969 HydrophobicContact CB-CB 4.2Å; D966-L969 HydrophobicContact CB-CD1 4.09Å; D966-L969 HydrophobicContact CB-CG 4.19Å; D966-L969 PolarHBondContact O-N 3.11Å; D966-L969 PolarHBondContact OD1-N 3.17Å; L969-Q971 PolarHBondContact O-N 2.96Å; L969-V972 WeakPolarHBondContact O-CB 3.49Å; L969-V972 PolarHBondContact O-N 2.86Å; L969-V972 VanDerWaalsContact O-N 3.13Å |
| 970 | T | 74.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.4 | -33.8 | 176.7 | -58 | 0 | 0 | 0 | 0 | 111.7 | V963 V964 D966 V972 G974 L975 L1056 L1070 | V963-T970 PolarHBondContact O-OG1 2.98Å; V964-T970 WeakPolarHBondContact CA-OG1 3.41Å; V964-T970 PolarHBondContact O-OG1 3.22Å; D966-T970 WeakPolarHBondContact O-CB 3.48Å; D966-T970 PolarHBondContact O-N 3.19Å; D966-T970 PolarHBondContact O-OG1 3.42Å; T970-V972 PolarHBondContact O-N 2.98Å; T970-G974 WeakPolarHBondContact O-CA 3.47Å; T970-G974 PolarHBondContact O-N 3.42Å; T970-G974 VanDerWaalsContact O-N 3.13Å; T970-L975 HydrophobicContact CG2-CB 4.31Å; T970-L975 HydrophobicContact CG2-CD1 3.76Å; T970-L1056 HydrophobicContact CG2-CD1 4.39Å; T970-L1070 HydrophobicContact CG2-CD2 3.74Å |
| 971 | Q | 69.8 | Low | 82.6 | Confident | 67 Ų | 67 | 22 Ų | 22 | 31% | 0.313 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.8 | -24.9 | 175.7 | -80.1 | 168.5 | -9.4 | 0 | 0 | 113.6 | S967 L969 D1066 D1069 | S967-Q971 WeakPolarHBondContact O-CB 3.29Å; S967-Q971 WeakPolarHBondContact O-CG 3.33Å; S967-Q971 PolarHBondContact O-N 3.34Å; S967-Q971 VanDerWaalsContact O-N 3.13Å; L969-Q971 PolarHBondContact O-N 2.96Å; Q971-D1066 PolarHBondContact NE2-O 3.31Å; Q971-D1069 HydrophobicContact CG-CB 3.97Å; Q971-D1069 PolarHBondContact NE2-OD2 3.5Å |
| 972 | V | 67.2 | Low | 82.7 | Confident | 26 Ų | 26 | 22 Ų | 22 | 16% | 0.158 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.2 | -46.3 | -173.4 | 175 | 0 | 0 | 0 | 0 | 112.3 | M918 R919 T968 L969 T970 | M918-V972 VanDerWaalsContact C-CG1 3.42Å; R919-V972 WeakPolarHBondContact CA-O 3.27Å; R919-V972 HydrophobicContact CB-CG1 4.35Å; R919-V972 WeakPolarHBondContact CB-O 3.31Å; R919-V972 WeakPolarHBondContact CD-O 3.28Å; R919-V972 WeakPolarHBondContact CG-O 3.26Å; R919-V972 VanDerWaalsContact N-CG1 3.34Å; T968-V972 WeakPolarHBondContact O-CG2 3.4Å; L969-V972 WeakPolarHBondContact O-CB 3.49Å; L969-V972 PolarHBondContact O-N 2.86Å; L969-V972 VanDerWaalsContact O-N 3.13Å; T970-V972 PolarHBondContact O-N 2.98Å |
| 973 | A | 71.7 | Confident | 82.8 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -111.4 | -3.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T922 E923 L926 F978 | T922-A973 HydrophobicContact CG2-CB 3.42Å; T922-A973 VanDerWaalsContact CG2-CB 3.42Å; E923-A973 HydrophobicContact CG-CB 3.8Å; L926-A973 HydrophobicContact CD1-CB 4.4Å; A973-F978 HydrophobicContact CB-CE2 4.26Å |
| 974 | G | 74 | Confident | 83 | Confident | 11 Ų | 11 | 22.2 Ų | 22.2 | 11% | 0.113 | 13% | 0.126 | C | C | . | . | trans | 78.9 | 160.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T970 F978 | T970-G974 WeakPolarHBondContact O-CA 3.47Å; T970-G974 PolarHBondContact O-N 3.42Å; T970-G974 VanDerWaalsContact O-N 3.13Å; G974-F978 VanDerWaalsContact O-CD2 3.22Å; G974-F978 WeakPolarHBondContact O-CD2 3.44Å | ||
| 975 | L | 84.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -77 | -22.8 | -171.1 | -173.8 | 62.9 | 0 | 0 | 0 | 113.5 | V964 T970 F978 T979 K1049 L1052 R1053 L1056 L1070 | V964-L975 HydrophobicContact CG1-CD1 4.33Å; T970-L975 HydrophobicContact CG2-CB 4.31Å; T970-L975 HydrophobicContact CG2-CD1 3.76Å; L975-F978 PolarHBondContact O-N 3.04Å; L975-T979 WeakPolarHBondContact O-CB 3.4Å; L975-T979 PolarHBondContact O-N 3.04Å; L975-T979 PolarHBondContact O-OG1 2.99Å; L975-K1049 HydrophobicContact CD2-CG 3.9Å; L975-K1049 HydrophobicContact CG-CG 4.19Å; L975-L1052 HydrophobicContact CD1-CB 4.35Å; L975-L1052 HydrophobicContact CD1-CD1 4.31Å; L975-L1052 HydrophobicContact CD2-CB 4.08Å; L975-R1053 HydrophobicContact CD2-CG 3.47Å; L975-R1053 VanDerWaalsContact CD2-CG 3.47Å; L975-L1056 HydrophobicContact CD1-CD1 4.28Å; L975-L1070 HydrophobicContact CB-CD2 4.33Å; L975-L1070 HydrophobicContact CD2-CD2 4.45Å |
| 976 | T | 86.4 | Confident | 83.7 | Confident | 11 Ų | 11 | 20.9 Ų | 20.9 | 7% | 0.067 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.3 | -44.1 | -170.7 | -42.5 | 0 | 0 | 0 | 0 | 111.4 | F978 T979 V980 I1045 K1049 E1073 | T976-F978 VanDerWaalsContact C-N 3.29Å; T976-F978 PolarHBondContact O-N 2.77Å; T976-T979 CarbonylContact O-C 3.41Å; T976-T979 WeakPolarHBondContact O-CA 3.48Å; T976-T979 WeakPolarHBondContact O-CB 3.35Å; T976-T979 PolarHBondContact O-N 3.09Å; T976-V980 HydrophobicContact CG2-CG2 4.24Å; T976-V980 WeakPolarHBondContact O-CG2 3.43Å; T976-V980 PolarHBondContact O-N 3.25Å; T976-I1045 HydrophobicContact CG2-CG2 4.37Å; T976-K1049 HydrophobicContact CG2-CD 4.49Å; T976-E1073 WeakPolarHBondContact CA-OE2 3.41Å; T976-E1073 VanDerWaalsContact CB-OE1 3.27Å; T976-E1073 WeakPolarHBondContact CB-OE1 3.5Å; T976-E1073 WeakPolarHBondContact CB-OE2 3.42Å; T976-E1073 PolarHBondContact N-OE2 3.41Å; T976-E1073 PolarHBondContact OG1-OE2 2.69Å |
| 977 | A | 86.6 | Confident | 84.1 | Confident | 26 Ų | 26 | 20 Ų | 20 | 22% | 0.215 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.1 | -44.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L926 V980 V981 | L926-A977 HydrophobicContact CB-CB 4.4Å; L926-A977 HydrophobicContact CD1-CB 3.54Å; A977-V980 PolarHBondContact O-N 3.48Å; A977-V981 WeakPolarHBondContact O-CG2 3.46Å; A977-V981 PolarHBondContact O-N 2.88Å |
| 978 | F | 90.6 | Very high | 85 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 173.1 | -66.8 | -72 | 0 | 0 | 0 | 112.6 | T922 L926 L960 V963 V964 A973 G974 L975 T976 V980 V981 L982 | T922-F978 HydrophobicContact CG2-CZ 3.87Å; L926-F978 HydrophobicContact CD1-CD1 3.82Å; L926-F978 HydrophobicContact CD1-CD2 4.2Å; L926-F978 HydrophobicContact CD1-CE1 3.68Å; L926-F978 HydrophobicContact CD1-CE2 4.07Å; L926-F978 HydrophobicContact CD1-CG 4.06Å; L926-F978 HydrophobicContact CD1-CZ 3.8Å; L926-F978 HydrophobicContact CD2-CD1 3.7Å; L926-F978 HydrophobicContact CD2-CE1 3.74Å; L926-F978 HydrophobicContact CG-CD1 4.39Å; L926-F978 HydrophobicContact CG-CE1 4.19Å; L960-F978 HydrophobicContact CD1-CD1 3.69Å; L960-F978 HydrophobicContact CD1-CE1 4.32Å; V963-F978 HydrophobicContact CB-CE1 4.08Å; V963-F978 HydrophobicContact CB-CZ 4.5Å; V963-F978 HydrophobicContact CG1-CD1 4.25Å; V963-F978 HydrophobicContact CG1-CE1 3.32Å; V963-F978 HydrophobicContact CG1-CE2 4.21Å; V963-F978 HydrophobicContact CG1-CZ 3.3Å; V964-F978 HydrophobicContact CG2-CB 3.55Å; V964-F978 HydrophobicContact CG2-CD1 3.97Å; V964-F978 HydrophobicContact CG2-CG 3.83Å; A973-F978 HydrophobicContact CB-CE2 4.26Å; G974-F978 VanDerWaalsContact O-CD2 3.22Å; G974-F978 WeakPolarHBondContact O-CD2 3.44Å; L975-F978 PolarHBondContact O-N 3.04Å; T976-F978 VanDerWaalsContact C-N 3.29Å; T976-F978 PolarHBondContact O-N 2.77Å; F978-V980 VanDerWaalsContact C-N 3.32Å; F978-V980 PolarHBondContact O-N 3.29Å; F978-V981 PolarHBondContact O-N 2.99Å; F978-L982 VanDerWaalsContact O-CB 3.25Å; F978-L982 WeakPolarHBondContact O-CB 3.45Å; F978-L982 PolarHBondContact O-N 2.95Å |
| 979 | T | 91.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 178.7 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | L975 T976 L982 S983 I1045 L1048 K1049 L1052 | L975-T979 WeakPolarHBondContact O-CB 3.4Å; L975-T979 PolarHBondContact O-N 3.04Å; L975-T979 PolarHBondContact O-OG1 2.99Å; T976-T979 CarbonylContact O-C 3.41Å; T976-T979 WeakPolarHBondContact O-CA 3.48Å; T976-T979 WeakPolarHBondContact O-CB 3.35Å; T976-T979 PolarHBondContact O-N 3.09Å; T979-L982 PolarHBondContact O-N 3.48Å; T979-S983 VanDerWaalsContact O-CB 3.23Å; T979-S983 WeakPolarHBondContact O-CB 3.45Å; T979-S983 PolarHBondContact O-N 3.24Å; T979-I1045 HydrophobicContact CG2-CG2 4.03Å; T979-L1048 HydrophobicContact CG2-CB 3.9Å; T979-L1048 HydrophobicContact CG2-CD2 3.81Å; T979-L1048 HydrophobicContact CG2-CG 3.8Å; T979-K1049 HydrophobicContact CG2-CB 4.01Å; T979-L1052 HydrophobicContact CG2-CD1 4.17Å; T979-L1052 WeakPolarHBondContact OG1-CD1 3.2Å |
| 980 | V | 92.6 | Very high | 86.3 | Confident | 41 Ų | 41 | 19.7 Ų | 19.7 | 25% | 0.248 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 178.9 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L930 T976 A977 F978 R984 I1045 | L930-V980 HydrophobicContact CD1-CG1 4.11Å; L930-V980 HydrophobicContact CD2-CG1 3.7Å; T976-V980 HydrophobicContact CG2-CG2 4.24Å; T976-V980 WeakPolarHBondContact O-CG2 3.43Å; T976-V980 PolarHBondContact O-N 3.25Å; A977-V980 PolarHBondContact O-N 3.48Å; F978-V980 VanDerWaalsContact C-N 3.32Å; F978-V980 PolarHBondContact O-N 3.29Å; V980-R984 WeakPolarHBondContact O-CB 3.23Å; V980-R984 PolarHBondContact O-N 3.26Å; V980-I1045 HydrophobicContact CG2-CD1 4.12Å; V980-I1045 HydrophobicContact CG2-CG2 4.11Å |
| 981 | V | 94 | Very high | 86.9 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.1 | -40 | 177.1 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | L926 L929 L930 L933 L960 A977 F978 R984 L985 | L926-V981 HydrophobicContact CB-CG2 4.37Å; L926-V981 HydrophobicContact CD2-CG2 4.16Å; L929-V981 HydrophobicContact CD2-CG1 3.69Å; L929-V981 HydrophobicContact CG-CG1 3.97Å; L930-V981 HydrophobicContact CB-CG2 4.16Å; L933-V981 HydrophobicContact CD1-CG1 4.22Å; L960-V981 HydrophobicContact CD1-CB 4.44Å; L960-V981 HydrophobicContact CD1-CG1 4.22Å; L960-V981 HydrophobicContact CD2-CB 4.06Å; L960-V981 HydrophobicContact CD2-CG1 3.72Å; A977-V981 WeakPolarHBondContact O-CG2 3.46Å; A977-V981 PolarHBondContact O-N 2.88Å; F978-V981 PolarHBondContact O-N 2.99Å; V981-R984 PolarHBondContact O-N 3.2Å; V981-L985 PolarHBondContact O-N 3.45Å |
| 982 | L | 93.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64 | -49.8 | 178.7 | -167.3 | 72 | 0 | 0 | 0 | 110.9 | L957 L960 L961 F978 T979 R984 L985 F986 F1038 L1052 | L957-L982 HydrophobicContact CD1-CD1 3.59Å; L960-L982 HydrophobicContact CD2-CB 3.96Å; L960-L982 HydrophobicContact CD2-CD1 3.81Å; L961-L982 HydrophobicContact CD2-CD1 4.01Å; L961-L982 HydrophobicContact CG-CD1 4.4Å; F978-L982 VanDerWaalsContact O-CB 3.25Å; F978-L982 WeakPolarHBondContact O-CB 3.45Å; F978-L982 PolarHBondContact O-N 2.95Å; T979-L982 PolarHBondContact O-N 3.48Å; L982-R984 VanDerWaalsContact C-N 3.28Å; L982-R984 PolarHBondContact O-N 2.94Å; L982-L985 PolarHBondContact O-N 2.9Å; L982-L985 VanDerWaalsContact O-N 3.16Å; L982-F986 HydrophobicContact CD1-CD2 4.22Å; L982-F986 HydrophobicContact CD1-CE2 3.66Å; L982-F986 HydrophobicContact CD2-CE2 4.31Å; L982-F986 HydrophobicContact CG-CD2 3.93Å; L982-F986 HydrophobicContact CG-CE2 3.71Å; L982-F986 VanDerWaalsContact O-CD2 3.27Å; L982-F986 WeakPolarHBondContact O-CD2 3.46Å; L982-F986 PolarHBondContact O-N 3.41Å; L982-F986 VanDerWaalsContact O-N 3.08Å; L982-F1038 HydrophobicContact CD2-CD1 4.22Å; L982-F1038 HydrophobicContact CD2-CE1 4.25Å; L982-L1052 HydrophobicContact CD2-CD1 3.93Å; L982-L1052 HydrophobicContact CD2-CD2 4.09Å; L982-L1052 HydrophobicContact CD2-CG 4.44Å |
| 983 | S | 93.6 | Very high | 88.6 | Confident | 13 Ų | 13 | 22.3 Ų | 22.3 | 9% | 0.091 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -48.7 | -52 | 171 | 155.1 | 0 | 0 | 0 | 0 | 110.1 | T979 L985 F986 T987 D1042 | T979-S983 VanDerWaalsContact O-CB 3.23Å; T979-S983 WeakPolarHBondContact O-CB 3.45Å; T979-S983 PolarHBondContact O-N 3.24Å; S983-L985 VanDerWaalsContact C-N 3.34Å; S983-L985 PolarHBondContact O-N 3.49Å; S983-F986 PolarHBondContact O-N 2.95Å; S983-T987 WeakPolarHBondContact O-CB 3.39Å; S983-T987 PolarHBondContact O-N 2.71Å; S983-T987 PolarHBondContact O-OG1 3.49Å; S983-D1042 VanDerWaalsContact CB-O 3.29Å; S983-D1042 WeakPolarHBondContact CB-O 3.37Å; S983-D1042 PolarHBondContact OG-O 3.23Å |
| 984 | R | 93.7 | Very high | 89.5 | Confident | 65 Ų | 65 | 22.4 Ų | 22.4 | 25% | 0.245 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.9 | -42 | -179.2 | -172 | 54.6 | 167.9 | 156.5 | -2.6 | 113.2 | L930 L933 D934 V980 V981 L982 L988 | L930-R984 HydrophobicContact CD1-CB 3.92Å; L930-R984 HydrophobicContact CD1-CG 3.98Å; L933-R984 HydrophobicContact CB-CG 4.48Å; L933-R984 HydrophobicContact CD1-CG 4.49Å; D934-R984 IonicContact OD1-CZ 3.48Å; D934-R984 IonicContact OD1-NE 3.49Å; D934-R984 PolarHBondContact OD1-NE 3.45Å; D934-R984 IonicContact OD1-NH2 2.66Å; D934-R984 PolarHBondContact OD1-NH2 3.15Å; V980-R984 WeakPolarHBondContact O-CB 3.23Å; V980-R984 PolarHBondContact O-N 3.26Å; V981-R984 PolarHBondContact O-N 3.2Å; L982-R984 VanDerWaalsContact C-N 3.28Å; L982-R984 PolarHBondContact O-N 2.94Å; R984-L988 VanDerWaalsContact O-CG 3.25Å; R984-L988 WeakPolarHBondContact O-CG 3.48Å; R984-L988 PolarHBondContact O-N 3.46Å; R984-L988 VanDerWaalsContact O-N 3.08Å |
| 985 | L | 94.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -51.5 | 176.7 | -74.2 | 170.3 | 0 | 0 | 0 | 111.3 | L933 Y953 L957 L960 V981 L982 S983 T987 L988 | L933-L985 HydrophobicContact CD1-CD2 3.74Å; L933-L985 HydrophobicContact CD1-CG 4Å; L933-L985 HydrophobicContact CD2-CD2 3.89Å; L933-L985 HydrophobicContact CG-CD2 4.5Å; Y953-L985 HydrophobicContact CD2-CD2 4.03Å; Y953-L985 HydrophobicContact CE2-CB 4.3Å; Y953-L985 HydrophobicContact CE2-CD2 3.77Å; Y953-L985 VanDerWaalsContact OH-C 3.29Å; Y953-L985 PolarHBondContact OH-O 3.31Å; L957-L985 HydrophobicContact CB-CD1 4.28Å; L957-L985 HydrophobicContact CD1-CD1 4.05Å; L960-L985 HydrophobicContact CD2-CD1 3.86Å; V981-L985 PolarHBondContact O-N 3.45Å; L982-L985 PolarHBondContact O-N 2.9Å; L982-L985 VanDerWaalsContact O-N 3.16Å; S983-L985 VanDerWaalsContact C-N 3.34Å; S983-L985 PolarHBondContact O-N 3.49Å; L985-T987 PolarHBondContact O-N 3.48Å; L985-L988 WeakPolarHBondContact O-CB 3.49Å; L985-L988 PolarHBondContact O-N 2.98Å |
| 986 | F | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 179.7 | -77.8 | -78.1 | 0 | 0 | 0 | 112.1 | L957 L982 S983 L988 V989 E990 L1011 V1015 F1038 F1039 D1042 | L957-F986 HydrophobicContact CD1-CE2 4.06Å; L957-F986 HydrophobicContact CD1-CZ 4.29Å; L957-F986 HydrophobicContact CD2-CZ 4.49Å; L982-F986 HydrophobicContact CD1-CD2 4.22Å; L982-F986 HydrophobicContact CD1-CE2 3.66Å; L982-F986 HydrophobicContact CD2-CE2 4.31Å; L982-F986 HydrophobicContact CG-CD2 3.93Å; L982-F986 HydrophobicContact CG-CE2 3.71Å; L982-F986 VanDerWaalsContact O-CD2 3.27Å; L982-F986 WeakPolarHBondContact O-CD2 3.46Å; L982-F986 PolarHBondContact O-N 3.41Å; L982-F986 VanDerWaalsContact O-N 3.08Å; S983-F986 PolarHBondContact O-N 2.95Å; F986-L988 VanDerWaalsContact C-N 3.29Å; F986-L988 PolarHBondContact O-N 3.09Å; F986-V989 PolarHBondContact O-N 2.97Å; F986-E990 PolarHBondContact O-N 3.29Å; F986-L1011 HydrophobicContact CD1-CD2 3.93Å; F986-L1011 HydrophobicContact CE1-CD2 3.86Å; F986-L1011 HydrophobicContact CE1-CG 4.36Å; F986-V1015 HydrophobicContact CZ-CG2 4.41Å; F986-F1038 HydrophobicContact CD1-CB 4.32Å; F986-F1038 HydrophobicContact CD2-CB 4.08Å; F986-F1038 HydrophobicContact CE1-CB 3.95Å; F986-F1038 HydrophobicContact CE2-CB 3.69Å; F986-F1038 HydrophobicContact CE2-CD2 4.26Å; F986-F1038 HydrophobicContact CE2-CG 4.08Å; F986-F1038 HydrophobicContact CG-CB 4.4Å; F986-F1038 HydrophobicContact CZ-CB 3.62Å; F986-F1038 AromaticContact CZ-CD2 3.94Å; F986-F1038 HydrophobicContact CZ-CD2 3.94Å; F986-F1038 HydrophobicContact CZ-CG 4.08Å; F986-F1039 HydrophobicContact CD1-CD1 4.09Å; F986-F1039 HydrophobicContact CD1-CD2 4.27Å; F986-F1039 AromaticContact CD1-CE1 3.87Å; F986-F1039 HydrophobicContact CD1-CE1 3.87Å; F986-F1039 HydrophobicContact CD1-CE2 4.05Å; F986-F1039 HydrophobicContact CD1-CG 4.29Å; F986-F1039 AromaticContact CD1-CZ 3.85Å; F986-F1039 HydrophobicContact CD1-CZ 3.85Å; F986-F1039 HydrophobicContact CE1-CD2 4.21Å; F986-F1039 HydrophobicContact CE1-CE1 4.28Å; F986-F1039 AromaticContact CE1-CE2 3.72Å; F986-F1039 HydrophobicContact CE1-CE2 3.72Å; F986-F1039 AromaticContact CE1-CZ 3.77Å; F986-F1039 HydrophobicContact CE1-CZ 3.77Å; F986-D1042 HydrophobicContact CB-CB 3.95Å |
| 987 | T | 91.5 | Very high | 90.7 | Very high | 37 Ų | 37 | 31 Ų | 31 | 23% | 0.227 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -32.3 | 177.1 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | S983 L985 V989 E990 S991 D1042 | S983-T987 WeakPolarHBondContact O-CB 3.39Å; S983-T987 PolarHBondContact O-N 2.71Å; S983-T987 PolarHBondContact O-OG1 3.49Å; L985-T987 PolarHBondContact O-N 3.48Å; T987-V989 PolarHBondContact O-N 2.85Å; T987-E990 PolarHBondContact O-N 3.26Å; T987-S991 WeakPolarHBondContact O-CB 3.49Å; T987-S991 PolarHBondContact O-N 3.11Å; T987-S991 PolarHBondContact O-OG 3.45Å; T987-D1042 WeakPolarHBondContact CA-OD2 3.47Å; T987-D1042 WeakPolarHBondContact CB-OD2 3.4Å; T987-D1042 PolarHBondContact N-OD2 2.9Å; T987-D1042 PolarHBondContact OG1-OD2 3.31Å |
| 988 | L | 91.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63 | -31.1 | 174.1 | -76.4 | 169.4 | 0 | 0 | 0 | 112.4 | L933 A937 Y949 R984 L985 F986 S991 A993 V994 | L933-L988 HydrophobicContact CB-CD1 4.41Å; L933-L988 HydrophobicContact CD2-CD1 4.34Å; A937-L988 HydrophobicContact CB-CD2 3.85Å; Y949-L988 HydrophobicContact CE1-CD1 4.33Å; R984-L988 VanDerWaalsContact O-CG 3.25Å; R984-L988 WeakPolarHBondContact O-CG 3.48Å; R984-L988 PolarHBondContact O-N 3.46Å; R984-L988 VanDerWaalsContact O-N 3.08Å; L985-L988 WeakPolarHBondContact O-CB 3.49Å; L985-L988 PolarHBondContact O-N 2.98Å; F986-L988 VanDerWaalsContact C-N 3.29Å; F986-L988 PolarHBondContact O-N 3.09Å; L988-S991 PolarHBondContact O-OG 2.88Å; L988-A993 HydrophobicContact CD2-CB 3.97Å; L988-A993 WeakPolarHBondContact O-CB 3.15Å; L988-A993 PolarHBondContact O-N 3.29Å; L988-A993 VanDerWaalsContact O-N 3.12Å; L988-V994 HydrophobicContact CB-CG2 4.28Å; L988-V994 PolarHBondContact O-N 2.67Å |
| 989 | V | 91.4 | Very high | 90.4 | Very high | 10 Ų | 10 | 32 Ų | 32 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -82 | -43.2 | 175.7 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | Y953 F986 T987 G992 V994 L998 N1007 A1008 L1011 | Y953-V989 HydrophobicContact CE1-CG2 4.05Å; Y953-V989 HydrophobicContact CE2-CG2 3.89Å; Y953-V989 VanDerWaalsContact CZ-CG2 3.45Å; Y953-V989 WeakPolarHBondContact OH-CG2 3.46Å; F986-V989 PolarHBondContact O-N 2.97Å; T987-V989 PolarHBondContact O-N 2.85Å; V989-G992 PolarHBondContact O-N 3.48Å; V989-V994 HydrophobicContact CG2-CB 4.18Å; V989-V994 HydrophobicContact CG2-CG2 3.95Å; V989-L998 HydrophobicContact CG2-CD1 4.25Å; V989-N1007 HydrophobicContact CG1-CB 3.99Å; V989-A1008 HydrophobicContact CG1-CB 4.15Å; V989-L1011 HydrophobicContact CB-CD2 4.35Å; V989-L1011 HydrophobicContact CG1-CD2 4.37Å; V989-L1011 HydrophobicContact CG2-CD2 4.12Å |
| 990 | E | 86.4 | Confident | 90 | Very high | 98 Ų | 98 | 33.2 Ų | 33.2 | 46% | 0.458 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.2 | -37.6 | -179.5 | -68.1 | -145 | 125.8 | 0 | 0 | 113.3 | F986 T987 G992 F1039 D1042 | F986-E990 PolarHBondContact O-N 3.29Å; T987-E990 PolarHBondContact O-N 3.26Å; E990-G992 PolarHBondContact O-N 2.93Å; E990-F1039 HydrophobicContact CG-CD1 3.91Å; E990-D1042 VanDerWaalsContact OE2-CG 3.32Å |
| 991 | S | 86.8 | Confident | 89.2 | Confident | 80 Ų | 80 | 36.5 Ų | 36.5 | 56% | 0.559 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -8.4 | 174.9 | 62.4 | 0 | 0 | 0 | 0 | 114 | T987 L988 A993 | T987-S991 WeakPolarHBondContact O-CB 3.49Å; T987-S991 PolarHBondContact O-N 3.11Å; T987-S991 PolarHBondContact O-OG 3.45Å; L988-S991 PolarHBondContact O-OG 2.88Å; S991-A993 VanDerWaalsContact C-N 3.34Å |
| 992 | G | 85.4 | Confident | 88.4 | Confident | 37 Ų | 37 | 41 Ų | 41 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 15.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V989 E990 V994 | V989-G992 PolarHBondContact O-N 3.48Å; E990-G992 PolarHBondContact O-N 2.93Å; G992-V994 VanDerWaalsContact C-N 3.3Å; G992-V994 PolarHBondContact O-N 2.88Å |
| 993 | A | 88.3 | Confident | 87.8 | Confident | 32 Ų | 32 | 42.7 Ų | 42.7 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | trans | -66.3 | -33.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q946 L988 S991 M995 | Q946-A993 PolarHBondContact NE2-O 2.83Å; L988-A993 HydrophobicContact CD2-CB 3.97Å; L988-A993 WeakPolarHBondContact O-CB 3.15Å; L988-A993 PolarHBondContact O-N 3.29Å; L988-A993 VanDerWaalsContact O-N 3.12Å; S991-A993 VanDerWaalsContact C-N 3.34Å; A993-M995 PolarHBondContact O-N 3.49Å | ||
| 994 | V | 90.5 | Very high | 87.2 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | trans | -87.3 | 100.7 | 172.7 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | Y949 Y953 L988 V989 G992 V996 L998 N1007 | Y949-V994 HydrophobicContact CD1-CG2 4.17Å; Y949-V994 HydrophobicContact CD2-CB 4.37Å; Y949-V994 HydrophobicContact CD2-CG1 4.33Å; Y949-V994 HydrophobicContact CD2-CG2 3.9Å; Y949-V994 HydrophobicContact CE1-CG2 4.44Å; Y949-V994 HydrophobicContact CE2-CG2 4.18Å; Y949-V994 HydrophobicContact CG-CG1 4.28Å; Y949-V994 HydrophobicContact CG-CG2 3.91Å; Y953-V994 HydrophobicContact CD2-CG2 4.38Å; Y953-V994 HydrophobicContact CE2-CG2 4.37Å; L988-V994 HydrophobicContact CB-CG2 4.28Å; L988-V994 PolarHBondContact O-N 2.67Å; V989-V994 HydrophobicContact CG2-CB 4.18Å; V989-V994 HydrophobicContact CG2-CG2 3.95Å; G992-V994 VanDerWaalsContact C-N 3.3Å; G992-V994 PolarHBondContact O-N 2.88Å; V994-V996 HydrophobicContact CG1-CG1 4.23Å; V994-L998 HydrophobicContact CG1-CD1 4.3Å; V994-L998 HydrophobicContact CG1-CD2 3.85Å; V994-L998 HydrophobicContact CG1-CG 4.02Å; V994-N1007 PolarHBondContact O-ND2 3Å | ||
| 995 | M | 89.3 | Confident | 86.8 | Confident | 127 Ų | 127 | 50.5 Ų | 50.5 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | trans | -97.1 | -26.8 | -178.1 | -59.5 | -176.7 | -178.2 | 0 | 0 | 112.9 | M942 A993 | M942-M995 HydrophobicContact SD-SD 4.27Å; A993-M995 PolarHBondContact O-N 3.49Å | ||
| 996 | V | 89.9 | Confident | 86.5 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 14% | 0.139 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -67 | 138.7 | 176.5 | 68.3 | 0 | 0 | 0 | 0 | 110.5 | Q946 Q950 V994 L998 N1007 | Q946-V996 HydrophobicContact CB-CB 4.29Å; Q946-V996 WeakPolarHBondContact O-CG1 3.35Å; Q950-V996 HydrophobicContact CB-CG1 4.09Å; Q950-V996 HydrophobicContact CB-CG2 4.09Å; Q950-V996 HydrophobicContact CG-CG2 4.14Å; V994-V996 HydrophobicContact CG1-CG1 4.23Å; V996-L998 PolarHBondContact O-N 2.95Å; V996-L998 VanDerWaalsContact O-N 3.15Å; V996-N1007 PolarHBondContact O-ND2 3.24Å; V996-N1007 PolarHBondContact O-OD1 3.07Å |
| 997 | P | 89.9 | Confident | 86.5 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 34% | 0.338 | 36% | 0.356 | S | S | . | . | trans | -67.3 | 112.3 | 176.4 | 24.2 | -32.1 | 0 | 0 | 0 | 111 | G999 G1000 Q1003 | P997-G999 VanDerWaalsContact C-N 3.31Å; P997-G999 PolarHBondContact O-N 3.44Å; P997-G1000 PolarHBondContact O-N 2.9Å; P997-G1000 VanDerWaalsContact O-N 3.14Å; P997-Q1003 HydrophobicContact CB-CB 4.05Å | ||
| 998 | L | 90.1 | Very high | 86.3 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 7% | 0.073 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -32.6 | -176.7 | -71.2 | 176.2 | 0 | 0 | 0 | 113.4 | Y953 L954 V989 V994 V996 G1000 Q1003 N1007 F1010 | Y953-L998 HydrophobicContact CD1-CD1 3.81Å; Y953-L998 HydrophobicContact CD1-CD2 3.99Å; Y953-L998 HydrophobicContact CE1-CD1 3.91Å; Y953-L998 HydrophobicContact CG-CD2 4.14Å; L954-L998 HydrophobicContact CD1-CB 4.46Å; V989-L998 HydrophobicContact CG2-CD1 4.25Å; V994-L998 HydrophobicContact CG1-CD1 4.3Å; V994-L998 HydrophobicContact CG1-CD2 3.85Å; V994-L998 HydrophobicContact CG1-CG 4.02Å; V996-L998 PolarHBondContact O-N 2.95Å; V996-L998 VanDerWaalsContact O-N 3.15Å; L998-G1000 PolarHBondContact O-N 3.49Å; L998-Q1003 VanDerWaalsContact N-OE1 3.08Å; L998-N1007 HydrophobicContact CD1-CB 4.41Å; L998-N1007 PolarHBondContact N-OD1 3.49Å; L998-F1010 HydrophobicContact CB-CD1 3.82Å; L998-F1010 HydrophobicContact CB-CE1 3.86Å |
| 999 | G | 80.6 | Confident | 86.2 | Confident | 35 Ų | 35 | 59 Ų | 59 | 36% | 0.361 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 8.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P997 F1010 | P997-G999 VanDerWaalsContact C-N 3.31Å; P997-G999 PolarHBondContact O-N 3.44Å; G999-F1010 VanDerWaalsContact CA-CE2 3.4Å |
| 1000 | G | 83 | Confident | 86.3 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 26% | 0.258 | 39% | 0.388 | S | S | . | . | trans | 82.4 | -176.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P997 L998 A1002 Q1003 | P997-G1000 PolarHBondContact O-N 2.9Å; P997-G1000 VanDerWaalsContact O-N 3.14Å; L998-G1000 PolarHBondContact O-N 3.49Å; G1000-A1002 PolarHBondContact O-N 3.31Å; G1000-Q1003 WeakPolarHBondContact O-CB 3.23Å; G1000-Q1003 PolarHBondContact O-N 3.27Å | ||
| 1001 | A | 76.3 | Confident | 86.7 | Confident | 110 Ų | 110 | 56.1 Ų | 56.1 | 91% | 0.909 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1002 | A | 76.5 | Confident | 86.9 | Confident | 94 Ų | 94 | 54.5 Ų | 54.5 | 78% | 0.777 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -2.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1000 T1004 | G1000-A1002 PolarHBondContact O-N 3.31Å; A1002-T1004 PolarHBondContact O-N 3.46Å |
| 1003 | Q | 82.3 | Confident | 87.2 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | trans | -69.8 | 120.3 | -179.6 | -177.6 | -173.9 | -35.3 | 0 | 0 | 111.1 | P997 L998 G1000 K1005 S1006 N1007 F1010 | P997-Q1003 HydrophobicContact CB-CB 4.05Å; L998-Q1003 VanDerWaalsContact N-OE1 3.08Å; G1000-Q1003 WeakPolarHBondContact O-CB 3.23Å; G1000-Q1003 PolarHBondContact O-N 3.27Å; Q1003-K1005 WeakPolarHBondContact CG-O 3.38Å; Q1003-K1005 PolarHBondContact NE2-O 3.14Å; Q1003-S1006 PolarHBondContact NE2-O 3.49Å; Q1003-N1007 PolarHBondContact NE2-OD1 3.37Å; Q1003-F1010 HydrophobicContact CG-CB 4.29Å; Q1003-F1010 HydrophobicContact CG-CD2 4.36Å; Q1003-F1010 HydrophobicContact CG-CG 4.44Å | ||
| 1004 | T | 80.5 | Confident | 87.5 | Confident | 140 Ų | 140 | 57.3 Ų | 57.3 | 86% | 0.859 | 35% | 0.346 | S | S | * | . | trans | -99.1 | -17.5 | 173.8 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | A1002 | A1002-T1004 PolarHBondContact O-N 3.46Š| ||
| 1005 | K | 85.4 | Confident | 87.6 | Confident | 102 Ų | 102 | 57 Ų | 57 | 44% | 0.443 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -83.2 | 158.8 | 179.9 | -61 | -172.5 | -178.5 | -174.3 | 0 | 111.3 | Q1003 E1009 D1013 | Q1003-K1005 WeakPolarHBondContact CG-O 3.38Å; Q1003-K1005 PolarHBondContact NE2-O 3.14Å; K1005-E1009 HydrophobicContact CB-CB 3.98Å; K1005-E1009 HydrophobicContact CD-CB 4.31Å; K1005-D1013 IonicContact NZ-OD2 3.71Å; K1005-D1013 PolarHBondContact NZ-OD2 3.25Å |
| 1006 | S | 88.7 | Confident | 87.7 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | trans | -61.7 | 158.4 | 168.4 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | Q1003 A1008 E1009 F1010 | Q1003-S1006 PolarHBondContact NE2-O 3.49Å; S1006-A1008 VanDerWaalsContact C-N 3.26Å; S1006-A1008 PolarHBondContact O-N 2.92Å; S1006-E1009 WeakPolarHBondContact CB-OE2 3.45Å; S1006-E1009 PolarHBondContact N-OE2 3.46Å; S1006-E1009 PolarHBondContact O-N 3.42Å; S1006-E1009 WeakPolarHBondContact OG-CB 3.35Å; S1006-E1009 VanDerWaalsContact OG-CD 3.23Å; S1006-E1009 WeakPolarHBondContact OG-CG 3.34Å; S1006-E1009 PolarHBondContact OG-N 3.33Å; S1006-E1009 PolarHBondContact OG-OE2 3.27Å; S1006-F1010 PolarHBondContact O-N 3.46Å | ||
| 1007 | N | 91.1 | Very high | 87.9 | Confident | 22 Ų | 22 | 57 Ų | 57 | 12% | 0.118 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.6 | -36.1 | 178.6 | -81.1 | -21.2 | 0 | 0 | 0 | 112.5 | V989 V994 V996 L998 Q1003 L1011 | V989-N1007 HydrophobicContact CG1-CB 3.99Å; V994-N1007 PolarHBondContact O-ND2 3Å; V996-N1007 PolarHBondContact O-ND2 3.24Å; V996-N1007 PolarHBondContact O-OD1 3.07Å; L998-N1007 HydrophobicContact CD1-CB 4.41Å; L998-N1007 PolarHBondContact N-OD1 3.49Å; Q1003-N1007 PolarHBondContact NE2-OD1 3.37Å; N1007-L1011 WeakPolarHBondContact O-CB 3.5Å; N1007-L1011 PolarHBondContact O-N 2.89Å |
| 1008 | A | 89.2 | Confident | 88 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V989 S1006 L1011 F1012 F1039 | V989-A1008 HydrophobicContact CG1-CB 4.15Å; S1006-A1008 VanDerWaalsContact C-N 3.26Å; S1006-A1008 PolarHBondContact O-N 2.92Å; A1008-L1011 PolarHBondContact O-N 2.9Å; A1008-F1012 WeakPolarHBondContact O-CB 3.47Å; A1008-F1012 PolarHBondContact O-N 3.06Å; A1008-F1039 HydrophobicContact CB-CE1 4.18Å |
| 1009 | E | 89.8 | Confident | 88 | Confident | 107 Ų | 107 | 56 Ų | 56 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 177.2 | -71.7 | 167.3 | 141.9 | 0 | 0 | 112.4 | K1005 S1006 F1012 D1013 | K1005-E1009 HydrophobicContact CB-CB 3.98Å; K1005-E1009 HydrophobicContact CD-CB 4.31Å; S1006-E1009 WeakPolarHBondContact CB-OE2 3.45Å; S1006-E1009 PolarHBondContact N-OE2 3.46Å; S1006-E1009 PolarHBondContact O-N 3.42Å; S1006-E1009 WeakPolarHBondContact OG-CB 3.35Å; S1006-E1009 VanDerWaalsContact OG-CD 3.23Å; S1006-E1009 WeakPolarHBondContact OG-CG 3.34Å; S1006-E1009 PolarHBondContact OG-N 3.33Å; S1006-E1009 PolarHBondContact OG-OE2 3.27Å; E1009-F1012 PolarHBondContact O-N 2.96Å; E1009-D1013 PolarHBondContact O-N 3.03Å; E1009-D1013 VanDerWaalsContact O-N 3.14Å |
| 1010 | F | 93.4 | Very high | 88.5 | Confident | 46 Ų | 46 | 58 Ų | 58 | 20% | 0.202 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 174.8 | 171.8 | -94.1 | 0 | 0 | 0 | 111.1 | L954 L998 G999 Q1003 S1006 F1012 D1013 Y1014 | L954-F1010 HydrophobicContact CD1-CE1 4.02Å; L954-F1010 HydrophobicContact CD1-CZ 4.45Å; L954-F1010 HydrophobicContact CD2-CE1 4.3Å; L998-F1010 HydrophobicContact CB-CD1 3.82Å; L998-F1010 HydrophobicContact CB-CE1 3.86Å; G999-F1010 VanDerWaalsContact CA-CE2 3.4Å; Q1003-F1010 HydrophobicContact CG-CB 4.29Å; Q1003-F1010 HydrophobicContact CG-CD2 4.36Å; Q1003-F1010 HydrophobicContact CG-CG 4.44Å; S1006-F1010 PolarHBondContact O-N 3.46Å; F1010-F1012 VanDerWaalsContact C-N 3.34Å; F1010-F1012 PolarHBondContact O-N 3.41Å; F1010-D1013 PolarHBondContact O-N 3.33Å; F1010-Y1014 HydrophobicContact CZ-CD2 4.33Å; F1010-Y1014 WeakPolarHBondContact O-CB 3.45Å; F1010-Y1014 PolarHBondContact O-N 2.89Å |
| 1011 | L | 93 | Very high | 88.8 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.5 | -40 | -179.8 | -173.2 | 65.2 | 0 | 0 | 0 | 111.6 | Y953 L954 L957 F986 V989 N1007 A1008 Y1014 V1015 F1039 | Y953-L1011 HydrophobicContact CE1-CD1 3.89Å; Y953-L1011 HydrophobicContact CE1-CD2 4.05Å; Y953-L1011 WeakPolarHBondContact OH-CD2 3.44Å; L954-L1011 HydrophobicContact CD2-CD1 3.86Å; L957-L1011 HydrophobicContact CD2-CD1 3.55Å; L957-L1011 HydrophobicContact CD2-CD2 4.44Å; L957-L1011 HydrophobicContact CD2-CG 4.34Å; F986-L1011 HydrophobicContact CD1-CD2 3.93Å; F986-L1011 HydrophobicContact CE1-CD2 3.86Å; F986-L1011 HydrophobicContact CE1-CG 4.36Å; V989-L1011 HydrophobicContact CB-CD2 4.35Å; V989-L1011 HydrophobicContact CG1-CD2 4.37Å; V989-L1011 HydrophobicContact CG2-CD2 4.12Å; N1007-L1011 WeakPolarHBondContact O-CB 3.5Å; N1007-L1011 PolarHBondContact O-N 2.89Å; A1008-L1011 PolarHBondContact O-N 2.9Å; L1011-Y1014 PolarHBondContact O-N 3.28Å; L1011-V1015 HydrophobicContact CD1-CG2 4.21Å; L1011-V1015 HydrophobicContact CG-CG2 4.31Å; L1011-V1015 VanDerWaalsContact O-CG2 3.31Å; L1011-V1015 WeakPolarHBondContact O-CG2 3.46Å; L1011-V1015 PolarHBondContact O-N 3.37Å; L1011-F1039 HydrophobicContact CB-CZ 4.07Å; L1011-F1039 HydrophobicContact CD2-CE1 4.27Å; L1011-F1039 HydrophobicContact CD2-CZ 3.98Å; L1011-F1039 HydrophobicContact CG-CZ 4.08Å |
| 1012 | F | 91.5 | Very high | 89.4 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.9 | -51.6 | 173.3 | -175.1 | -78.2 | 0 | 0 | 0 | 111.1 | A1008 E1009 F1010 Y1014 Y1016 V1035 K1036 F1039 | A1008-F1012 WeakPolarHBondContact O-CB 3.47Å; A1008-F1012 PolarHBondContact O-N 3.06Å; E1009-F1012 PolarHBondContact O-N 2.96Å; F1010-F1012 VanDerWaalsContact C-N 3.34Å; F1010-F1012 PolarHBondContact O-N 3.41Å; F1012-Y1014 PolarHBondContact O-N 3.44Å; F1012-Y1016 VanDerWaalsContact O-CB 3.25Å; F1012-Y1016 WeakPolarHBondContact O-CB 3.35Å; F1012-Y1016 PolarHBondContact O-N 3.26Å; F1012-V1035 HydrophobicContact CB-CG1 4.44Å; F1012-V1035 HydrophobicContact CD1-CG1 4.4Å; F1012-V1035 HydrophobicContact CD2-CB 4.32Å; F1012-V1035 HydrophobicContact CD2-CG1 3.54Å; F1012-V1035 HydrophobicContact CE2-CB 3.99Å; F1012-V1035 HydrophobicContact CE2-CG1 3.72Å; F1012-V1035 HydrophobicContact CG-CG1 3.89Å; F1012-V1035 HydrophobicContact CZ-CB 4.23Å; F1012-V1035 HydrophobicContact CZ-CG1 4.22Å; F1012-K1036 HydrophobicContact CE2-CB 4.06Å; F1012-F1039 HydrophobicContact CB-CE2 3.99Å; F1012-F1039 HydrophobicContact CB-CZ 4.24Å; F1012-F1039 HydrophobicContact CD2-CD2 4.14Å; F1012-F1039 AromaticContact CD2-CE2 3.96Å; F1012-F1039 HydrophobicContact CD2-CE2 3.96Å; F1012-F1039 HydrophobicContact CG-CE2 4.45Å |
| 1013 | D | 92.6 | Very high | 89.8 | Confident | 64 Ų | 64 | 60.3 Ų | 60.3 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 179.2 | -69.8 | -22 | 0 | 0 | 0 | 111.8 | K1005 E1009 F1010 Y1016 E1017 | K1005-D1013 IonicContact NZ-OD2 3.71Å; K1005-D1013 PolarHBondContact NZ-OD2 3.25Å; E1009-D1013 PolarHBondContact O-N 3.03Å; E1009-D1013 VanDerWaalsContact O-N 3.14Å; F1010-D1013 PolarHBondContact O-N 3.33Å; D1013-Y1016 PolarHBondContact O-N 3.14Å; D1013-E1017 WeakPolarHBondContact O-CG 3.33Å; D1013-E1017 PolarHBondContact O-N 2.87Å |
| 1014 | Y | 93.9 | Very high | 89.9 | Confident | 63 Ų | 63 | 63.3 Ų | 63.3 | 25% | 0.247 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.6 | -49 | 179.3 | 179 | -92.9 | 0 | 0 | 0 | 112.1 | L954 Q958 F1010 L1011 F1012 Y1016 E1017 L1018 | L954-Y1014 HydrophobicContact CB-CE1 4.46Å; L954-Y1014 HydrophobicContact CD1-CE2 4.47Å; L954-Y1014 HydrophobicContact CD2-CD1 3.97Å; L954-Y1014 HydrophobicContact CD2-CE1 4.03Å; L954-Y1014 HydrophobicContact CD2-CG 4.34Å; Q958-Y1014 PolarHBondContact OE1-OH 3.19Å; F1010-Y1014 HydrophobicContact CZ-CD2 4.33Å; F1010-Y1014 WeakPolarHBondContact O-CB 3.45Å; F1010-Y1014 PolarHBondContact O-N 2.89Å; L1011-Y1014 PolarHBondContact O-N 3.28Å; F1012-Y1014 PolarHBondContact O-N 3.44Å; Y1014-Y1016 VanDerWaalsContact C-N 3.35Å; Y1014-E1017 PolarHBondContact O-N 2.94Å; Y1014-L1018 WeakPolarHBondContact O-CB 3.34Å; Y1014-L1018 PolarHBondContact O-N 3.46Å |
| 1015 | V | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 178.3 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | L957 L961 F986 L1011 L1018 L1019 V1035 F1038 | L957-V1015 HydrophobicContact CD2-CG2 3.87Å; L961-V1015 HydrophobicContact CD1-CG1 3.9Å; L961-V1015 HydrophobicContact CD1-CG2 4.27Å; F986-V1015 HydrophobicContact CZ-CG2 4.41Å; L1011-V1015 HydrophobicContact CD1-CG2 4.21Å; L1011-V1015 HydrophobicContact CG-CG2 4.31Å; L1011-V1015 VanDerWaalsContact O-CG2 3.31Å; L1011-V1015 WeakPolarHBondContact O-CG2 3.46Å; L1011-V1015 PolarHBondContact O-N 3.37Å; V1015-L1018 PolarHBondContact O-N 3.48Å; V1015-L1019 HydrophobicContact CG1-CD1 4Å; V1015-L1019 HydrophobicContact CG1-CG 4.22Å; V1015-L1019 WeakPolarHBondContact O-CB 3.27Å; V1015-L1019 WeakPolarHBondContact O-CG 3.43Å; V1015-L1019 PolarHBondContact O-N 3.05Å; V1015-V1035 HydrophobicContact CB-CG1 4.19Å; V1015-V1035 HydrophobicContact CB-CG2 4.43Å; V1015-V1035 HydrophobicContact CG1-CG1 4.26Å; V1015-V1035 HydrophobicContact CG1-CG2 3.92Å; V1015-F1038 HydrophobicContact CG1-CD2 4.38Å; V1015-F1038 HydrophobicContact CG1-CE2 4.38Å |
| 1016 | Y | 91.4 | Very high | 89.4 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 14% | 0.137 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.7 | -50.7 | 174.6 | 176.5 | -86.7 | 0 | 0 | 0 | 111.8 | F1012 D1013 Y1014 L1018 L1019 H1020 G1028 L1031 R1032 | F1012-Y1016 VanDerWaalsContact O-CB 3.25Å; F1012-Y1016 WeakPolarHBondContact O-CB 3.35Å; F1012-Y1016 PolarHBondContact O-N 3.26Å; D1013-Y1016 PolarHBondContact O-N 3.14Å; Y1014-Y1016 VanDerWaalsContact C-N 3.35Å; Y1016-L1018 PolarHBondContact O-N 3.28Å; Y1016-L1019 PolarHBondContact O-N 3.44Å; Y1016-H1020 VanDerWaalsContact O-CB 3.23Å; Y1016-H1020 WeakPolarHBondContact O-CB 3.46Å; Y1016-H1020 PolarHBondContact O-N 3.48Å; Y1016-G1028 WeakPolarHBondContact OH-CA 3.21Å; Y1016-L1031 HydrophobicContact CD2-CB 3.78Å; Y1016-L1031 HydrophobicContact CE2-CB 3.55Å; Y1016-L1031 HydrophobicContact CE2-CD1 4.36Å; Y1016-R1032 HydrophobicContact CD2-CG 4.16Å; Y1016-R1032 HydrophobicContact CE2-CG 3.82Å |
| 1017 | E | 93.4 | Very high | 88.8 | Confident | 114 Ų | 114 | 55.5 Ų | 55.5 | 53% | 0.533 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 179.1 | -73.2 | -61.2 | 139.5 | 0 | 0 | 112.3 | D1013 Y1014 H1020 K1021 | D1013-E1017 WeakPolarHBondContact O-CG 3.33Å; D1013-E1017 PolarHBondContact O-N 2.87Å; Y1014-E1017 PolarHBondContact O-N 2.94Å; E1017-H1020 PolarHBondContact O-N 3.2Å; E1017-K1021 WeakPolarHBondContact O-CB 3.39Å; E1017-K1021 PolarHBondContact O-N 3.36Å |
| 1018 | L | 92.9 | Very high | 88 | Confident | 40 Ų | 40 | 55.7 Ų | 55.7 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60 | -50.6 | 175.9 | -177.3 | 69.7 | 0 | 0 | 0 | 111.1 | Q958 L961 Y1014 V1015 Y1016 K1021 A1022 | Q958-L1018 HydrophobicContact CB-CD2 4.28Å; Q958-L1018 HydrophobicContact CG-CD1 4.04Å; Q958-L1018 HydrophobicContact CG-CD2 3.98Å; L961-L1018 HydrophobicContact CD1-CD2 4.06Å; Y1014-L1018 WeakPolarHBondContact O-CB 3.34Å; Y1014-L1018 PolarHBondContact O-N 3.46Å; V1015-L1018 PolarHBondContact O-N 3.48Å; Y1016-L1018 PolarHBondContact O-N 3.28Å; L1018-K1021 PolarHBondContact O-N 2.93Å; L1018-A1022 WeakPolarHBondContact O-CB 3.18Å; L1018-A1022 PolarHBondContact O-N 3.46Å |
| 1019 | L | 90.1 | Very high | 87.2 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.2 | -37.6 | 179.3 | -67.1 | -178.3 | 0 | 0 | 0 | 112.2 | V1015 Y1016 K1021 A1022 F1023 L1031 I1034 V1035 F1038 F1055 | V1015-L1019 HydrophobicContact CG1-CD1 4Å; V1015-L1019 HydrophobicContact CG1-CG 4.22Å; V1015-L1019 WeakPolarHBondContact O-CB 3.27Å; V1015-L1019 WeakPolarHBondContact O-CG 3.43Å; V1015-L1019 PolarHBondContact O-N 3.05Å; Y1016-L1019 PolarHBondContact O-N 3.44Å; L1019-K1021 VanDerWaalsContact C-N 3.32Å; L1019-K1021 PolarHBondContact O-N 2.9Å; L1019-A1022 PolarHBondContact O-N 2.86Å; L1019-F1023 HydrophobicContact CD2-CD2 4.18Å; L1019-F1023 HydrophobicContact CD2-CE2 4.06Å; L1019-F1023 WeakPolarHBondContact O-CA 3.5Å; L1019-F1023 WeakPolarHBondContact O-CB 3.04Å; L1019-F1023 PolarHBondContact O-N 3.19Å; L1019-L1031 HydrophobicContact CB-CD2 3.72Å; L1019-I1034 HydrophobicContact CD1-CG2 4.17Å; L1019-V1035 HydrophobicContact CD1-CG2 4.03Å; L1019-F1038 HydrophobicContact CD1-CE2 4.29Å; L1019-F1055 HydrophobicContact CD1-CZ 4.19Å; L1019-F1055 HydrophobicContact CD2-CZ 4.01Å |
| 1020 | H | 89.7 | Confident | 86.4 | Confident | 78 Ų | 78 | 57.3 Ų | 57.3 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.6 | -176.6 | -98.6 | 0 | 0 | 0 | 111.7 | Y1016 E1017 F1023 P1024 L1031 | Y1016-H1020 VanDerWaalsContact O-CB 3.23Å; Y1016-H1020 WeakPolarHBondContact O-CB 3.46Å; Y1016-H1020 PolarHBondContact O-N 3.48Å; E1017-H1020 PolarHBondContact O-N 3.2Å; H1020-F1023 CarbonylContact O-C 3.58Å; H1020-P1024 WeakPolarHBondContact O-CA 3.35Å; H1020-L1031 HydrophobicContact CB-CD1 3.68Å |
| 1021 | K | 90.9 | Very high | 85.9 | Confident | 180 Ų | 180 | 55.1 Ų | 55.1 | 78% | 0.783 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -70 | -41.3 | 176.5 | -174.7 | -179.5 | 177.8 | -175.5 | 0 | 112.3 | E1017 L1018 L1019 | E1017-K1021 WeakPolarHBondContact O-CB 3.39Å; E1017-K1021 PolarHBondContact O-N 3.36Å; L1018-K1021 PolarHBondContact O-N 2.93Å; L1019-K1021 VanDerWaalsContact C-N 3.32Å; L1019-K1021 PolarHBondContact O-N 2.9Å |
| 1022 | A | 87.2 | Confident | 85.3 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71 | -38.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1018 L1019 P1024 | L1018-A1022 WeakPolarHBondContact O-CB 3.18Å; L1018-A1022 PolarHBondContact O-N 3.46Å; L1019-A1022 PolarHBondContact O-N 2.86Å; A1022-P1024 WeakPolarHBondContact O-CD 3.46Å |
| 1023 | F | 86 | Confident | 84.7 | Confident | 39 Ų | 39 | 64 Ų | 64 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | trans | -129.3 | 68.4 | -172.4 | -51.9 | -66.2 | 0 | 0 | 0 | 111.3 | T965 L1019 H1020 H1025 L1026 L1059 | T965-F1023 HydrophobicContact CG2-CE2 3.79Å; T965-F1023 HydrophobicContact CG2-CZ 3.98Å; L1019-F1023 HydrophobicContact CD2-CD2 4.18Å; L1019-F1023 HydrophobicContact CD2-CE2 4.06Å; L1019-F1023 WeakPolarHBondContact O-CA 3.5Å; L1019-F1023 WeakPolarHBondContact O-CB 3.04Å; L1019-F1023 PolarHBondContact O-N 3.19Å; H1020-F1023 CarbonylContact O-C 3.58Å; F1023-H1025 AromaticContact CD1-CE1 3.87Å; F1023-H1025 PolarHBondContact O-N 3.13Å; F1023-L1026 HydrophobicContact CB-CD1 3.96Å; F1023-L1026 HydrophobicContact CB-CG 4.14Å; F1023-L1026 PolarHBondContact O-N 2.97Å; F1023-L1059 HydrophobicContact CB-CD2 3.93Å; F1023-L1059 HydrophobicContact CD1-CD2 3.57Å; F1023-L1059 HydrophobicContact CD2-CD2 3.73Å; F1023-L1059 HydrophobicContact CE1-CD1 4.33Å; F1023-L1059 HydrophobicContact CE1-CD2 3.97Å; F1023-L1059 HydrophobicContact CE2-CD1 4.31Å; F1023-L1059 HydrophobicContact CE2-CD2 4.13Å; F1023-L1059 HydrophobicContact CG-CD2 3.43Å; F1023-L1059 VanDerWaalsContact CG-CD2 3.43Å; F1023-L1059 HydrophobicContact CZ-CD1 4.12Å; F1023-L1059 HydrophobicContact CZ-CD2 4.25Å | ||
| 1024 | P | 83.5 | Confident | 84.4 | Confident | 99 Ų | 99 | 61.1 Ų | 61.1 | 64% | 0.643 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -7 | -175.1 | 28.4 | -37.1 | 0 | 0 | 0 | 113.9 | H1020 A1022 | H1020-P1024 WeakPolarHBondContact O-CA 3.35Å; A1022-P1024 WeakPolarHBondContact O-CD 3.46Å |
| 1025 | H | 77.5 | Confident | 84.2 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 25% | 0.25 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -16.1 | 176.8 | 61.9 | -90.9 | 0 | 0 | 0 | 113.3 | F1023 Y1062 | F1023-H1025 AromaticContact CD1-CE1 3.87Å; F1023-H1025 PolarHBondContact O-N 3.13Å; H1025-Y1062 HydrophobicContact CB-CD1 3.94Å; H1025-Y1062 HydrophobicContact CB-CD2 4.28Å; H1025-Y1062 HydrophobicContact CB-CE1 3.62Å; H1025-Y1062 HydrophobicContact CB-CE2 4.02Å; H1025-Y1062 HydrophobicContact CB-CG 4.21Å; H1025-Y1062 AromaticContact CD2-CD2 3.76Å; H1025-Y1062 AromaticContact CD2-CG 3.8Å; H1025-Y1062 AromaticContact CG-CG 3.99Å |
| 1026 | L | 78.3 | Confident | 83.9 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -78.3 | 138.5 | 173.7 | -64.3 | 180 | 0 | 0 | 0 | 110.3 | F1023 L1031 I1034 F1055 L1059 | F1023-L1026 HydrophobicContact CB-CD1 3.96Å; F1023-L1026 HydrophobicContact CB-CG 4.14Å; F1023-L1026 PolarHBondContact O-N 2.97Å; L1026-L1031 HydrophobicContact CB-CD1 4.35Å; L1026-L1031 HydrophobicContact CB-CD2 3.96Å; L1026-L1031 HydrophobicContact CB-CG 3.9Å; L1026-L1031 HydrophobicContact CD1-CD2 3.64Å; L1026-L1031 HydrophobicContact CD1-CG 4.44Å; L1026-L1031 HydrophobicContact CG-CD2 4.47Å; L1026-I1034 HydrophobicContact CD1-CD1 4.12Å; L1026-F1055 HydrophobicContact CD1-CE2 3.88Å; L1026-L1059 HydrophobicContact CD1-CD2 3.73Å; L1026-L1059 HydrophobicContact CG-CD2 4.38Å |
| 1027 | T | 76.7 | Confident | 83.5 | Confident | 75 Ų | 75 | 63 Ų | 63 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | trans | -70.7 | 153 | 176.2 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | D1029 Q1030 L1031 | T1027-D1029 PolarHBondContact O-N 3.47Å; T1027-Q1030 WeakPolarHBondContact O-CB 3.27Å; T1027-Q1030 PolarHBondContact O-N 3.09Å; T1027-Q1030 VanDerWaalsContact O-N 3.12Å; T1027-Q1030 WeakPolarHBondContact OG1-CB 3.23Å; T1027-Q1030 WeakPolarHBondContact OG1-CG 3.33Å; T1027-Q1030 PolarHBondContact OG1-N 2.95Å; T1027-Q1030 PolarHBondContact OG1-OE1 2.89Å; T1027-L1031 PolarHBondContact O-N 2.79Å | ||
| 1028 | G | 73.6 | Confident | 83.4 | Confident | 27 Ų | 27 | 57.6 Ų | 57.6 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.5 | -34.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1016 R1032 | Y1016-G1028 WeakPolarHBondContact OH-CA 3.21Å; G1028-R1032 WeakPolarHBondContact O-CG 3.4Å; G1028-R1032 PolarHBondContact O-N 2.98Å |
| 1029 | D | 72.3 | Confident | 83.2 | Confident | 122 Ų | 122 | 56.6 Ų | 56.6 | 65% | 0.652 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -69.9 | -41.4 | 176.3 | -68 | -29.3 | 0 | 0 | 0 | 112.2 | T1027 L1031 R1032 V1033 | T1027-D1029 PolarHBondContact O-N 3.47Å; D1029-L1031 PolarHBondContact O-N 2.61Å; D1029-R1032 PolarHBondContact O-N 3.24Å; D1029-V1033 WeakPolarHBondContact O-CG2 3.46Å; D1029-V1033 PolarHBondContact O-N 3.15Å |
| 1030 | Q | 74.3 | Confident | 83 | Confident | 51 Ų | 51 | 60 Ų | 60 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 173.7 | -76.6 | 170.3 | -60 | 0 | 0 | 110.9 | T1027 R1032 V1033 I1034 | T1027-Q1030 WeakPolarHBondContact O-CB 3.27Å; T1027-Q1030 PolarHBondContact O-N 3.09Å; T1027-Q1030 VanDerWaalsContact O-N 3.12Å; T1027-Q1030 WeakPolarHBondContact OG1-CB 3.23Å; T1027-Q1030 WeakPolarHBondContact OG1-CG 3.33Å; T1027-Q1030 PolarHBondContact OG1-N 2.95Å; T1027-Q1030 PolarHBondContact OG1-OE1 2.89Å; Q1030-R1032 VanDerWaalsContact C-N 3.34Å; Q1030-R1032 PolarHBondContact O-N 3.12Å; Q1030-V1033 PolarHBondContact O-N 3.25Å; Q1030-V1033 VanDerWaalsContact O-N 3.15Å; Q1030-I1034 HydrophobicContact CB-CD1 4.5Å; Q1030-I1034 WeakPolarHBondContact O-CD1 3.32Å; Q1030-I1034 VanDerWaalsContact O-CG1 3.26Å; Q1030-I1034 WeakPolarHBondContact O-CG1 3.43Å; Q1030-I1034 PolarHBondContact O-N 2.86Å |
| 1031 | L | 82.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 178.9 | -71.2 | 172.6 | 0 | 0 | 0 | 111.8 | Y1016 L1019 H1020 L1026 T1027 D1029 V1033 I1034 V1035 | Y1016-L1031 HydrophobicContact CD2-CB 3.78Å; Y1016-L1031 HydrophobicContact CE2-CB 3.55Å; Y1016-L1031 HydrophobicContact CE2-CD1 4.36Å; L1019-L1031 HydrophobicContact CB-CD2 3.72Å; H1020-L1031 HydrophobicContact CB-CD1 3.68Å; L1026-L1031 HydrophobicContact CB-CD1 4.35Å; L1026-L1031 HydrophobicContact CB-CD2 3.96Å; L1026-L1031 HydrophobicContact CB-CG 3.9Å; L1026-L1031 HydrophobicContact CD1-CD2 3.64Å; L1026-L1031 HydrophobicContact CD1-CG 4.44Å; L1026-L1031 HydrophobicContact CG-CD2 4.47Å; T1027-L1031 PolarHBondContact O-N 2.79Å; D1029-L1031 PolarHBondContact O-N 2.61Å; L1031-V1033 VanDerWaalsContact C-N 3.33Å; L1031-V1033 PolarHBondContact O-N 3.04Å; L1031-I1034 PolarHBondContact O-N 3.35Å; L1031-V1035 VanDerWaalsContact O-CG2 3.3Å; L1031-V1035 WeakPolarHBondContact O-CG2 3.35Å; L1031-V1035 PolarHBondContact O-N 2.95Å |
| 1032 | R | 80.1 | Confident | 82.7 | Confident | 137 Ų | 137 | 52.1 Ų | 52.1 | 52% | 0.517 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 174.9 | -75.3 | 174.1 | -169.7 | -92.6 | -2 | 112.3 | Y1016 G1028 D1029 Q1030 K1036 | Y1016-R1032 HydrophobicContact CD2-CG 4.16Å; Y1016-R1032 HydrophobicContact CE2-CG 3.82Å; G1028-R1032 WeakPolarHBondContact O-CG 3.4Å; G1028-R1032 PolarHBondContact O-N 2.98Å; D1029-R1032 PolarHBondContact O-N 3.24Å; Q1030-R1032 VanDerWaalsContact C-N 3.34Å; Q1030-R1032 PolarHBondContact O-N 3.12Å; R1032-K1036 WeakPolarHBondContact O-CB 3.39Å; R1032-K1036 PolarHBondContact O-N 2.99Å |
| 1033 | V | 79.1 | Confident | 82.7 | Confident | 96 Ų | 96 | 55.7 Ų | 55.7 | 58% | 0.582 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.5 | -43 | 177.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | D1029 Q1030 L1031 K1036 G1037 | D1029-V1033 WeakPolarHBondContact O-CG2 3.46Å; D1029-V1033 PolarHBondContact O-N 3.15Å; Q1030-V1033 PolarHBondContact O-N 3.25Å; Q1030-V1033 VanDerWaalsContact O-N 3.15Å; L1031-V1033 VanDerWaalsContact C-N 3.33Å; L1031-V1033 PolarHBondContact O-N 3.04Å; V1033-K1036 PolarHBondContact O-N 3.36Å; V1033-G1037 PolarHBondContact O-N 2.86Å |
| 1034 | I | 85.8 | Confident | 82.7 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.9 | -55 | 178.1 | -69.2 | 156.5 | 0 | 0 | 0 | 110.2 | L1019 L1026 Q1030 L1031 K1036 G1037 F1038 H1051 F1055 | L1019-I1034 HydrophobicContact CD1-CG2 4.17Å; L1026-I1034 HydrophobicContact CD1-CD1 4.12Å; Q1030-I1034 HydrophobicContact CB-CD1 4.5Å; Q1030-I1034 WeakPolarHBondContact O-CD1 3.32Å; Q1030-I1034 VanDerWaalsContact O-CG1 3.26Å; Q1030-I1034 WeakPolarHBondContact O-CG1 3.43Å; Q1030-I1034 PolarHBondContact O-N 2.86Å; L1031-I1034 PolarHBondContact O-N 3.35Å; I1034-K1036 VanDerWaalsContact C-N 3.33Å; I1034-K1036 PolarHBondContact O-N 2.81Å; I1034-G1037 PolarHBondContact O-N 3.28Å; I1034-G1037 VanDerWaalsContact O-N 3.13Å; I1034-F1038 HydrophobicContact CG2-CE2 3.99Å; I1034-F1038 HydrophobicContact CG2-CZ 3.82Å; I1034-F1038 PolarHBondContact O-N 3.02Å; I1034-H1051 PolarHBondContact O-NE2 3.38Å; I1034-F1055 HydrophobicContact CB-CD2 4.49Å; I1034-F1055 HydrophobicContact CD1-CD2 3.4Å; I1034-F1055 HydrophobicContact CD1-CE2 3.71Å; I1034-F1055 HydrophobicContact CD1-CG 4.36Å; I1034-F1055 HydrophobicContact CG1-CD2 3.87Å; I1034-F1055 HydrophobicContact CG1-CE2 4.47Å; I1034-F1055 HydrophobicContact CG1-CG 4.38Å; I1034-F1055 HydrophobicContact CG2-CB 4.4Å; I1034-F1055 HydrophobicContact CG2-CD1 4.14Å; I1034-F1055 HydrophobicContact CG2-CD2 3.81Å; I1034-F1055 HydrophobicContact CG2-CE1 4.36Å; I1034-F1055 HydrophobicContact CG2-CE2 4.05Å; I1034-F1055 HydrophobicContact CG2-CG 3.86Å; I1034-F1055 HydrophobicContact CG2-CZ 4.32Å |
| 1035 | V | 89.1 | Confident | 83 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | -178.5 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | F1012 V1015 L1019 L1031 G1037 F1038 F1039 | F1012-V1035 HydrophobicContact CB-CG1 4.44Å; F1012-V1035 HydrophobicContact CD1-CG1 4.4Å; F1012-V1035 HydrophobicContact CD2-CB 4.32Å; F1012-V1035 HydrophobicContact CD2-CG1 3.54Å; F1012-V1035 HydrophobicContact CE2-CB 3.99Å; F1012-V1035 HydrophobicContact CE2-CG1 3.72Å; F1012-V1035 HydrophobicContact CG-CG1 3.89Å; F1012-V1035 HydrophobicContact CZ-CB 4.23Å; F1012-V1035 HydrophobicContact CZ-CG1 4.22Å; V1015-V1035 HydrophobicContact CB-CG1 4.19Å; V1015-V1035 HydrophobicContact CB-CG2 4.43Å; V1015-V1035 HydrophobicContact CG1-CG1 4.26Å; V1015-V1035 HydrophobicContact CG1-CG2 3.92Å; L1019-V1035 HydrophobicContact CD1-CG2 4.03Å; L1031-V1035 VanDerWaalsContact O-CG2 3.3Å; L1031-V1035 WeakPolarHBondContact O-CG2 3.35Å; L1031-V1035 PolarHBondContact O-N 2.95Å; V1035-G1037 VanDerWaalsContact C-N 3.27Å; V1035-G1037 PolarHBondContact O-N 3.38Å; V1035-F1038 WeakPolarHBondContact O-CB 3.48Å; V1035-F1038 PolarHBondContact O-N 3.44Å; V1035-F1038 VanDerWaalsContact O-N 3.14Å; V1035-F1039 HydrophobicContact CG1-CE2 4.1Å; V1035-F1039 WeakPolarHBondContact O-CD2 3.38Å |
| 1036 | K | 86.6 | Confident | 83.3 | Confident | 134 Ų | 134 | 54 Ų | 54 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.4 | -37.3 | 176.3 | -174.5 | 175.7 | -179.9 | -177.7 | 0 | 112.4 | F1012 R1032 V1033 I1034 F1038 F1039 T1040 | F1012-K1036 HydrophobicContact CE2-CB 4.06Å; R1032-K1036 WeakPolarHBondContact O-CB 3.39Å; R1032-K1036 PolarHBondContact O-N 2.99Å; V1033-K1036 PolarHBondContact O-N 3.36Å; I1034-K1036 VanDerWaalsContact C-N 3.33Å; I1034-K1036 PolarHBondContact O-N 2.81Å; K1036-F1038 VanDerWaalsContact C-N 3.28Å; K1036-F1038 PolarHBondContact O-N 3.34Å; K1036-F1039 PolarHBondContact O-N 3.1Å; K1036-T1040 WeakPolarHBondContact O-CB 3.39Å; K1036-T1040 PolarHBondContact O-N 3.23Å; K1036-T1040 PolarHBondContact O-OG1 2.77Å |
| 1037 | G | 84.4 | Confident | 83.7 | Confident | 5 Ų | 5 | 59 Ų | 59 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.4 | -30.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1033 I1034 V1035 F1039 T1040 Y1041 H1051 | V1033-G1037 PolarHBondContact O-N 2.86Å; I1034-G1037 PolarHBondContact O-N 3.28Å; I1034-G1037 VanDerWaalsContact O-N 3.13Å; V1035-G1037 VanDerWaalsContact C-N 3.27Å; V1035-G1037 PolarHBondContact O-N 3.38Å; G1037-F1039 VanDerWaalsContact C-N 3.3Å; G1037-F1039 PolarHBondContact O-N 3.39Å; G1037-T1040 PolarHBondContact O-N 3.19Å; G1037-Y1041 VanDerWaalsContact O-CD2 3.23Å; G1037-Y1041 WeakPolarHBondContact O-CD2 3.43Å; G1037-Y1041 PolarHBondContact O-N 3.45Å; G1037-H1051 WeakPolarHBondContact CA-NE2 3.39Å |
| 1038 | F | 89.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -33.2 | 174.8 | -61.8 | -32 | 0 | 0 | 0 | 113.7 | L961 L982 F986 V1015 L1019 I1034 V1035 K1036 D1042 L1048 L1052 F1055 | L961-F1038 HydrophobicContact CD2-CE2 4.19Å; L961-F1038 HydrophobicContact CD2-CZ 4.42Å; L982-F1038 HydrophobicContact CD2-CD1 4.22Å; L982-F1038 HydrophobicContact CD2-CE1 4.25Å; F986-F1038 HydrophobicContact CD1-CB 4.32Å; F986-F1038 HydrophobicContact CD2-CB 4.08Å; F986-F1038 HydrophobicContact CE1-CB 3.95Å; F986-F1038 HydrophobicContact CE2-CB 3.69Å; F986-F1038 HydrophobicContact CE2-CD2 4.26Å; F986-F1038 HydrophobicContact CE2-CG 4.08Å; F986-F1038 HydrophobicContact CG-CB 4.4Å; F986-F1038 HydrophobicContact CZ-CB 3.62Å; F986-F1038 AromaticContact CZ-CD2 3.94Å; F986-F1038 HydrophobicContact CZ-CD2 3.94Å; F986-F1038 HydrophobicContact CZ-CG 4.08Å; V1015-F1038 HydrophobicContact CG1-CD2 4.38Å; V1015-F1038 HydrophobicContact CG1-CE2 4.38Å; L1019-F1038 HydrophobicContact CD1-CE2 4.29Å; I1034-F1038 HydrophobicContact CG2-CE2 3.99Å; I1034-F1038 HydrophobicContact CG2-CZ 3.82Å; I1034-F1038 PolarHBondContact O-N 3.02Å; V1035-F1038 WeakPolarHBondContact O-CB 3.48Å; V1035-F1038 PolarHBondContact O-N 3.44Å; V1035-F1038 VanDerWaalsContact O-N 3.14Å; K1036-F1038 VanDerWaalsContact C-N 3.28Å; K1036-F1038 PolarHBondContact O-N 3.34Å; F1038-D1042 WeakPolarHBondContact O-CB 3.36Å; F1038-L1048 HydrophobicContact CD1-CD1 3.89Å; F1038-L1052 HydrophobicContact CD1-CD2 4.45Å; F1038-L1052 HydrophobicContact CE1-CD2 3.42Å; F1038-L1052 VanDerWaalsContact CE1-CD2 3.42Å; F1038-L1052 HydrophobicContact CE1-CG 4.06Å; F1038-L1052 HydrophobicContact CZ-CD2 3.9Å; F1038-F1055 HydrophobicContact CZ-CD1 4.21Å; F1038-F1055 HydrophobicContact CZ-CE1 4.38Å |
| 1039 | F | 88.6 | Confident | 85 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -82 | -38.9 | 172.6 | -68.6 | -90.7 | 0 | 0 | 0 | 111.8 | F986 E990 A1008 L1011 F1012 V1035 K1036 G1037 Y1041 | F986-F1039 HydrophobicContact CD1-CD1 4.09Å; F986-F1039 HydrophobicContact CD1-CD2 4.27Å; F986-F1039 AromaticContact CD1-CE1 3.87Å; F986-F1039 HydrophobicContact CD1-CE1 3.87Å; F986-F1039 HydrophobicContact CD1-CE2 4.05Å; F986-F1039 HydrophobicContact CD1-CG 4.29Å; F986-F1039 AromaticContact CD1-CZ 3.85Å; F986-F1039 HydrophobicContact CD1-CZ 3.85Å; F986-F1039 HydrophobicContact CE1-CD2 4.21Å; F986-F1039 HydrophobicContact CE1-CE1 4.28Å; F986-F1039 AromaticContact CE1-CE2 3.72Å; F986-F1039 HydrophobicContact CE1-CE2 3.72Å; F986-F1039 AromaticContact CE1-CZ 3.77Å; F986-F1039 HydrophobicContact CE1-CZ 3.77Å; E990-F1039 HydrophobicContact CG-CD1 3.91Å; A1008-F1039 HydrophobicContact CB-CE1 4.18Å; L1011-F1039 HydrophobicContact CB-CZ 4.07Å; L1011-F1039 HydrophobicContact CD2-CE1 4.27Å; L1011-F1039 HydrophobicContact CD2-CZ 3.98Å; L1011-F1039 HydrophobicContact CG-CZ 4.08Å; F1012-F1039 HydrophobicContact CB-CE2 3.99Å; F1012-F1039 HydrophobicContact CB-CZ 4.24Å; F1012-F1039 HydrophobicContact CD2-CD2 4.14Å; F1012-F1039 AromaticContact CD2-CE2 3.96Å; F1012-F1039 HydrophobicContact CD2-CE2 3.96Å; F1012-F1039 HydrophobicContact CG-CE2 4.45Å; V1035-F1039 HydrophobicContact CG1-CE2 4.1Å; V1035-F1039 WeakPolarHBondContact O-CD2 3.38Å; K1036-F1039 PolarHBondContact O-N 3.1Å; G1037-F1039 VanDerWaalsContact C-N 3.3Å; G1037-F1039 PolarHBondContact O-N 3.39Å; F1039-Y1041 VanDerWaalsContact C-N 3.33Å; F1039-Y1041 PolarHBondContact O-N 3Å |
| 1040 | T | 86.7 | Confident | 85.5 | Confident | 74 Ų | 74 | 50.7 Ų | 50.7 | 45% | 0.454 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.9 | -27.6 | -173.4 | -52.9 | 0 | 0 | 0 | 0 | 113.3 | K1036 G1037 | K1036-T1040 WeakPolarHBondContact O-CB 3.39Å; K1036-T1040 PolarHBondContact O-N 3.23Å; K1036-T1040 PolarHBondContact O-OG1 2.77Å; G1037-T1040 PolarHBondContact O-N 3.19Å |
| 1041 | Y | 88.6 | Confident | 86 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 32% | 0.322 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 16.2 | -177 | -51.3 | -50.1 | 0 | 0 | 0 | 112.3 | G1037 F1039 D1043 D1044 K1047 L1048 H1051 | G1037-Y1041 VanDerWaalsContact O-CD2 3.23Å; G1037-Y1041 WeakPolarHBondContact O-CD2 3.43Å; G1037-Y1041 PolarHBondContact O-N 3.45Å; F1039-Y1041 VanDerWaalsContact C-N 3.33Å; F1039-Y1041 PolarHBondContact O-N 3Å; Y1041-D1043 PolarHBondContact O-N 3.33Å; Y1041-D1044 CarbonylContact O-C 3.52Å; Y1041-D1044 PolarHBondContact O-N 3.4Å; Y1041-D1044 VanDerWaalsContact O-N 3.14Å; Y1041-K1047 HydrophobicContact CD1-CB 3.87Å; Y1041-K1047 HydrophobicContact CD1-CD 3.93Å; Y1041-K1047 HydrophobicContact CE1-CB 4.42Å; Y1041-K1047 HydrophobicContact CE1-CD 4.01Å; Y1041-K1047 HydrophobicContact CG-CB 3.96Å; Y1041-L1048 WeakPolarHBondContact O-CB 3.4Å; Y1041-H1051 HydrophobicContact CD2-CB 3.87Å; Y1041-H1051 AromaticContact CD2-CG 3.99Å; Y1041-H1051 HydrophobicContact CE2-CB 4.02Å; Y1041-H1051 AromaticContact CE2-CG 3.96Å; Y1041-H1051 AromaticContact CE2-ND1 3.9Å |
| 1042 | D | 86.2 | Confident | 86.3 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.064 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -28.1 | -175.5 | 79 | -37.1 | 0 | 0 | 0 | 112.5 | S983 F986 T987 E990 F1038 | S983-D1042 VanDerWaalsContact CB-O 3.29Å; S983-D1042 WeakPolarHBondContact CB-O 3.37Å; S983-D1042 PolarHBondContact OG-O 3.23Å; F986-D1042 HydrophobicContact CB-CB 3.95Å; T987-D1042 WeakPolarHBondContact CA-OD2 3.47Å; T987-D1042 WeakPolarHBondContact CB-OD2 3.4Å; T987-D1042 PolarHBondContact N-OD2 2.9Å; T987-D1042 PolarHBondContact OG1-OD2 3.31Å; E990-D1042 VanDerWaalsContact OE2-CG 3.32Å; F1038-D1042 WeakPolarHBondContact O-CB 3.36Å |
| 1043 | D | 86.1 | Confident | 86.3 | Confident | 133 Ų | 133 | 43.3 Ų | 43.3 | 71% | 0.711 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -10.8 | 178.1 | 71.7 | -14.2 | 0 | 0 | 0 | 114.9 | Y1041 | Y1041-D1043 PolarHBondContact O-N 3.33Š|
| 1044 | D | 87.7 | Confident | 86.5 | Confident | 51 Ų | 51 | 40.3 Ų | 40.3 | 27% | 0.273 | 21% | 0.206 | S | C | . | . | trans | -120 | 87.5 | -179.4 | -172.2 | -24.8 | 0 | 0 | 0 | 110.3 | Y1041 G1046 K1047 L1048 | Y1041-D1044 CarbonylContact O-C 3.52Å; Y1041-D1044 PolarHBondContact O-N 3.4Å; Y1041-D1044 VanDerWaalsContact O-N 3.14Å; D1044-G1046 PolarHBondContact O-N 3.47Å; D1044-G1046 VanDerWaalsContact O-N 3.12Å; D1044-G1046 PolarHBondContact OD1-N 3.34Å; D1044-K1047 HydrophobicContact CB-CB 4.22Å; D1044-K1047 HydrophobicContact CB-CG 4.45Å; D1044-K1047 PolarHBondContact O-N 3.39Å; D1044-K1047 VanDerWaalsContact O-N 3.12Å; D1044-K1047 PolarHBondContact OD1-N 3.27Å; D1044-K1047 VanDerWaalsContact OD1-N 3.09Å; D1044-K1047 WeakPolarHBondContact OD2-CD 3.4Å; D1044-K1047 WeakPolarHBondContact OD2-CE 3.31Å; D1044-K1047 WeakPolarHBondContact OD2-CG 3.09Å; D1044-K1047 IonicContact OD2-NZ 2.93Å; D1044-K1047 PolarHBondContact OD2-NZ 3.11Å; D1044-L1048 PolarHBondContact O-N 3.26Å | ||
| 1045 | I | 88.4 | Confident | 86.4 | Confident | 68 Ų | 68 | 40.2 Ų | 40.2 | 35% | 0.349 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -53 | -36.1 | -178.8 | -63.4 | 161.2 | 0 | 0 | 0 | 111.6 | T976 T979 V980 K1049 | T976-I1045 HydrophobicContact CG2-CG2 4.37Å; T979-I1045 HydrophobicContact CG2-CG2 4.03Å; V980-I1045 HydrophobicContact CG2-CD1 4.12Å; V980-I1045 HydrophobicContact CG2-CG2 4.11Å; I1045-K1049 WeakPolarHBondContact O-CB 3.23Å; I1045-K1049 PolarHBondContact O-N 3.14Å |
| 1046 | G | 84.6 | Confident | 86.1 | Confident | 36 Ų | 36 | 40.4 Ų | 40.4 | 37% | 0.371 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.6 | -50.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1044 K1049 E1050 | D1044-G1046 PolarHBondContact O-N 3.47Å; D1044-G1046 VanDerWaalsContact O-N 3.12Å; D1044-G1046 PolarHBondContact OD1-N 3.34Å; G1046-K1049 PolarHBondContact O-N 3.49Å; G1046-E1050 PolarHBondContact O-N 2.64Å |
| 1047 | K | 86.2 | Confident | 85.6 | Confident | 114 Ų | 114 | 34.5 Ų | 34.5 | 50% | 0.496 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.7 | -40 | 176.8 | -70.6 | -171.2 | -168.5 | 110.2 | 0 | 112.7 | Y1041 D1044 K1049 E1050 H1051 | Y1041-K1047 HydrophobicContact CD1-CB 3.87Å; Y1041-K1047 HydrophobicContact CD1-CD 3.93Å; Y1041-K1047 HydrophobicContact CE1-CB 4.42Å; Y1041-K1047 HydrophobicContact CE1-CD 4.01Å; Y1041-K1047 HydrophobicContact CG-CB 3.96Å; D1044-K1047 HydrophobicContact CB-CB 4.22Å; D1044-K1047 HydrophobicContact CB-CG 4.45Å; D1044-K1047 PolarHBondContact O-N 3.39Å; D1044-K1047 VanDerWaalsContact O-N 3.12Å; D1044-K1047 PolarHBondContact OD1-N 3.27Å; D1044-K1047 VanDerWaalsContact OD1-N 3.09Å; D1044-K1047 WeakPolarHBondContact OD2-CD 3.4Å; D1044-K1047 WeakPolarHBondContact OD2-CE 3.31Å; D1044-K1047 WeakPolarHBondContact OD2-CG 3.09Å; D1044-K1047 IonicContact OD2-NZ 2.93Å; D1044-K1047 PolarHBondContact OD2-NZ 3.11Å; K1047-K1049 VanDerWaalsContact C-N 3.29Å; K1047-K1049 PolarHBondContact O-N 2.9Å; K1047-E1050 PolarHBondContact O-N 3.06Å; K1047-H1051 WeakPolarHBondContact O-CB 3.48Å; K1047-H1051 PolarHBondContact O-N 2.86Å |
| 1048 | L | 89.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | 177.9 | -174.4 | 60.6 | 0 | 0 | 0 | 111.4 | T979 F1038 Y1041 D1044 H1051 L1052 | T979-L1048 HydrophobicContact CG2-CB 3.9Å; T979-L1048 HydrophobicContact CG2-CD2 3.81Å; T979-L1048 HydrophobicContact CG2-CG 3.8Å; F1038-L1048 HydrophobicContact CD1-CD1 3.89Å; Y1041-L1048 WeakPolarHBondContact O-CB 3.4Å; D1044-L1048 PolarHBondContact O-N 3.26Å; L1048-H1051 PolarHBondContact O-N 3.25Å; L1048-L1052 HydrophobicContact CG-CD1 4.46Å; L1048-L1052 WeakPolarHBondContact O-CB 3.41Å; L1048-L1052 WeakPolarHBondContact O-CG 3.33Å; L1048-L1052 PolarHBondContact O-N 2.82Å |
| 1049 | K | 87.8 | Confident | 84.8 | Confident | 10 Ų | 10 | 37 Ų | 37 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.9 | -46.7 | 176.5 | -169.9 | 172.9 | 62.4 | -178.7 | 0 | 111.7 | L975 T976 T979 I1045 G1046 K1047 H1051 L1052 R1053 E1074 | L975-K1049 HydrophobicContact CD2-CG 3.9Å; L975-K1049 HydrophobicContact CG-CG 4.19Å; T976-K1049 HydrophobicContact CG2-CD 4.49Å; T979-K1049 HydrophobicContact CG2-CB 4.01Å; I1045-K1049 WeakPolarHBondContact O-CB 3.23Å; I1045-K1049 PolarHBondContact O-N 3.14Å; G1046-K1049 PolarHBondContact O-N 3.49Å; K1047-K1049 VanDerWaalsContact C-N 3.29Å; K1047-K1049 PolarHBondContact O-N 2.9Å; K1049-H1051 VanDerWaalsContact C-N 3.33Å; K1049-H1051 PolarHBondContact O-N 3.49Å; K1049-L1052 WeakPolarHBondContact O-CB 3.44Å; K1049-L1052 PolarHBondContact O-N 3.44Å; K1049-R1053 WeakPolarHBondContact O-CG 3.29Å; K1049-R1053 PolarHBondContact O-N 2.59Å; K1049-E1074 WeakPolarHBondContact CE-OE1 3.31Å; K1049-E1074 VanDerWaalsContact NZ-CD 3.3Å; K1049-E1074 IonicContact NZ-OE1 3.42Å; K1049-E1074 PolarHBondContact NZ-OE1 2.91Å |
| 1050 | E | 83.1 | Confident | 83.8 | Confident | 40 Ų | 40 | 37 Ų | 37 | 19% | 0.187 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -39.2 | 175.9 | -67.2 | -59.2 | 170 | 0 | 0 | 112.4 | Q185 G1046 K1047 R1053 D1054 | Q185-E1050 PolarHBondContact NE2-OE2 2.88Å; G1046-E1050 PolarHBondContact O-N 2.64Å; K1047-E1050 PolarHBondContact O-N 3.06Å; E1050-R1053 VanDerWaalsContact CD-NH1 3.27Å; E1050-R1053 WeakPolarHBondContact O-CB 3.31Å; E1050-R1053 PolarHBondContact O-N 3.45Å; E1050-R1053 IonicContact OE1-CZ 3.96Å; E1050-R1053 IonicContact OE1-NH1 2.75Å; E1050-R1053 PolarHBondContact OE1-NH1 2.94Å; E1050-R1053 WeakPolarHBondContact OE2-CD 3.38Å; E1050-R1053 IonicContact OE2-NH1 2.76Å; E1050-R1053 PolarHBondContact OE2-NH1 2.94Å; E1050-D1054 PolarHBondContact O-N 2.92Å |
| 1051 | H | 86 | Confident | 82.7 | Confident | 30 Ų | 30 | 36 Ų | 36 | 14% | 0.139 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.1 | -41.5 | 174.5 | -177.6 | 75 | 0 | 0 | 0 | 112 | I1034 G1037 Y1041 K1047 L1048 K1049 D1054 F1055 | I1034-H1051 PolarHBondContact O-NE2 3.38Å; G1037-H1051 WeakPolarHBondContact CA-NE2 3.39Å; Y1041-H1051 HydrophobicContact CD2-CB 3.87Å; Y1041-H1051 AromaticContact CD2-CG 3.99Å; Y1041-H1051 HydrophobicContact CE2-CB 4.02Å; Y1041-H1051 AromaticContact CE2-CG 3.96Å; Y1041-H1051 AromaticContact CE2-ND1 3.9Å; K1047-H1051 WeakPolarHBondContact O-CB 3.48Å; K1047-H1051 PolarHBondContact O-N 2.86Å; L1048-H1051 PolarHBondContact O-N 3.25Å; K1049-H1051 VanDerWaalsContact C-N 3.33Å; K1049-H1051 PolarHBondContact O-N 3.49Å; H1051-D1054 PolarHBondContact O-N 3Å; H1051-F1055 WeakPolarHBondContact O-CB 3.15Å; H1051-F1055 PolarHBondContact O-N 2.9Å |
| 1052 | L | 87.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 172 | -82 | 171 | 0 | 0 | 0 | 111.6 | V964 L975 T979 L982 F1038 L1048 K1049 F1055 L1056 | V964-L1052 HydrophobicContact CG1-CD2 3.73Å; L975-L1052 HydrophobicContact CD1-CB 4.35Å; L975-L1052 HydrophobicContact CD1-CD1 4.31Å; L975-L1052 HydrophobicContact CD2-CB 4.08Å; T979-L1052 HydrophobicContact CG2-CD1 4.17Å; T979-L1052 WeakPolarHBondContact OG1-CD1 3.2Å; L982-L1052 HydrophobicContact CD2-CD1 3.93Å; L982-L1052 HydrophobicContact CD2-CD2 4.09Å; L982-L1052 HydrophobicContact CD2-CG 4.44Å; F1038-L1052 HydrophobicContact CD1-CD2 4.45Å; F1038-L1052 HydrophobicContact CE1-CD2 3.42Å; F1038-L1052 VanDerWaalsContact CE1-CD2 3.42Å; F1038-L1052 HydrophobicContact CE1-CG 4.06Å; F1038-L1052 HydrophobicContact CZ-CD2 3.9Å; L1048-L1052 HydrophobicContact CG-CD1 4.46Å; L1048-L1052 WeakPolarHBondContact O-CB 3.41Å; L1048-L1052 WeakPolarHBondContact O-CG 3.33Å; L1048-L1052 PolarHBondContact O-N 2.82Å; K1049-L1052 WeakPolarHBondContact O-CB 3.44Å; K1049-L1052 PolarHBondContact O-N 3.44Å; L1052-F1055 HydrophobicContact CD2-CD1 4.41Å; L1052-F1055 WeakPolarHBondContact O-CB 3.29Å; L1052-F1055 PolarHBondContact O-N 3.47Å; L1052-F1055 VanDerWaalsContact O-N 3.17Å; L1052-L1056 WeakPolarHBondContact O-CG 3.37Å; L1052-L1056 PolarHBondContact O-N 3.32Å |
| 1053 | R | 81.8 | Confident | 79.4 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -49.7 | 175.4 | -71.4 | 171.1 | 176 | 159 | -6.2 | 111.5 | L975 K1049 E1050 F1055 L1056 V1057 L1070 Y1071 E1074 | L975-R1053 HydrophobicContact CD2-CG 3.47Å; L975-R1053 VanDerWaalsContact CD2-CG 3.47Å; K1049-R1053 WeakPolarHBondContact O-CG 3.29Å; K1049-R1053 PolarHBondContact O-N 2.59Å; E1050-R1053 VanDerWaalsContact CD-NH1 3.27Å; E1050-R1053 WeakPolarHBondContact O-CB 3.31Å; E1050-R1053 PolarHBondContact O-N 3.45Å; E1050-R1053 IonicContact OE1-CZ 3.96Å; E1050-R1053 IonicContact OE1-NH1 2.75Å; E1050-R1053 PolarHBondContact OE1-NH1 2.94Å; E1050-R1053 WeakPolarHBondContact OE2-CD 3.38Å; E1050-R1053 IonicContact OE2-NH1 2.76Å; E1050-R1053 PolarHBondContact OE2-NH1 2.94Å; R1053-F1055 PolarHBondContact O-N 2.92Å; R1053-L1056 PolarHBondContact O-N 3.21Å; R1053-L1056 VanDerWaalsContact O-N 3.12Å; R1053-V1057 VanDerWaalsContact O-CG2 3.31Å; R1053-V1057 WeakPolarHBondContact O-CG2 3.27Å; R1053-V1057 PolarHBondContact O-N 2.92Å; R1053-L1070 HydrophobicContact CG-CB 4.28Å; R1053-L1070 HydrophobicContact CG-CD1 4.19Å; R1053-L1070 PolarHBondContact NE-O 2.99Å; R1053-L1070 PolarHBondContact NH2-O 2.97Å; R1053-Y1071 VanDerWaalsContact CZ-CD1 3.47Å; R1053-Y1071 VanDerWaalsContact NH1-CE1 3.32Å; R1053-E1074 IonicContact CZ-OE1 3.51Å; R1053-E1074 IonicContact CZ-OE2 3.62Å; R1053-E1074 VanDerWaalsContact CZ-OE2 3.28Å; R1053-E1074 IonicContact NH1-OE1 2.83Å; R1053-E1074 PolarHBondContact NH1-OE1 3.08Å; R1053-E1074 IonicContact NH1-OE2 3.75Å; R1053-E1074 PolarHBondContact NH1-OE2 3.31Å; R1053-E1074 IonicContact NH2-OE1 3.8Å; R1053-E1074 PolarHBondContact NH2-OE1 3.19Å; R1053-E1074 IonicContact NH2-OE2 3.94Å; R1053-E1074 PolarHBondContact NH2-OE2 2.96Å |
| 1054 | D | 81.5 | Confident | 77.6 | Confident | 34 Ų | 34 | 34.8 Ų | 34.8 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -35.1 | 176.8 | -91.4 | -2.8 | 0 | 0 | 0 | 111.8 | T184 Q185 E1050 H1051 Q1058 | T184-D1054 WeakPolarHBondContact CA-OD1 3.49Å; T184-D1054 WeakPolarHBondContact CB-OD1 3.26Å; T184-D1054 HydrophobicContact CG2-CB 4.47Å; Q185-D1054 PolarHBondContact N-OD1 2.86Å; E1050-D1054 PolarHBondContact O-N 2.92Å; H1051-D1054 PolarHBondContact O-N 3Å; D1054-Q1058 VanDerWaalsContact O-CG 3.27Å; D1054-Q1058 WeakPolarHBondContact O-CG 3.48Å; D1054-Q1058 PolarHBondContact O-N 3.46Å; D1054-Q1058 VanDerWaalsContact O-N 3.09Å; D1054-Q1058 PolarHBondContact O-NE2 3.31Å |
| 1055 | F | 85.4 | Confident | 75.7 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 172.6 | 171.2 | -134.5 | 0 | 0 | 0 | 112 | T965 L1019 L1026 I1034 F1038 H1051 L1052 R1053 V1057 Q1058 L1059 | T965-F1055 HydrophobicContact CG2-CE1 3.61Å; T965-F1055 HydrophobicContact CG2-CZ 3.93Å; L1019-F1055 HydrophobicContact CD1-CZ 4.19Å; L1019-F1055 HydrophobicContact CD2-CZ 4.01Å; L1026-F1055 HydrophobicContact CD1-CE2 3.88Å; I1034-F1055 HydrophobicContact CB-CD2 4.49Å; I1034-F1055 HydrophobicContact CD1-CD2 3.4Å; I1034-F1055 HydrophobicContact CD1-CE2 3.71Å; I1034-F1055 HydrophobicContact CD1-CG 4.36Å; I1034-F1055 HydrophobicContact CG1-CD2 3.87Å; I1034-F1055 HydrophobicContact CG1-CE2 4.47Å; I1034-F1055 HydrophobicContact CG1-CG 4.38Å; I1034-F1055 HydrophobicContact CG2-CB 4.4Å; I1034-F1055 HydrophobicContact CG2-CD1 4.14Å; I1034-F1055 HydrophobicContact CG2-CD2 3.81Å; I1034-F1055 HydrophobicContact CG2-CE1 4.36Å; I1034-F1055 HydrophobicContact CG2-CE2 4.05Å; I1034-F1055 HydrophobicContact CG2-CG 3.86Å; I1034-F1055 HydrophobicContact CG2-CZ 4.32Å; F1038-F1055 HydrophobicContact CZ-CD1 4.21Å; F1038-F1055 HydrophobicContact CZ-CE1 4.38Å; H1051-F1055 WeakPolarHBondContact O-CB 3.15Å; H1051-F1055 PolarHBondContact O-N 2.9Å; L1052-F1055 HydrophobicContact CD2-CD1 4.41Å; L1052-F1055 WeakPolarHBondContact O-CB 3.29Å; L1052-F1055 PolarHBondContact O-N 3.47Å; L1052-F1055 VanDerWaalsContact O-N 3.17Å; R1053-F1055 PolarHBondContact O-N 2.92Å; F1055-V1057 VanDerWaalsContact C-N 3.34Å; F1055-V1057 PolarHBondContact O-N 3.46Å; F1055-Q1058 WeakPolarHBondContact O-CB 3.46Å; F1055-Q1058 PolarHBondContact O-N 3.19Å; F1055-Q1058 VanDerWaalsContact O-N 3.11Å; F1055-L1059 HydrophobicContact CD2-CD1 4.44Å; F1055-L1059 HydrophobicContact CD2-CD2 4.48Å; F1055-L1059 HydrophobicContact CD2-CG 4.12Å; F1055-L1059 HydrophobicContact CE1-CD1 4.15Å; F1055-L1059 HydrophobicContact CE2-CD1 3.92Å; F1055-L1059 HydrophobicContact CE2-CD2 3.69Å; F1055-L1059 HydrophobicContact CE2-CG 3.71Å; F1055-L1059 HydrophobicContact CZ-CD1 3.76Å; F1055-L1059 HydrophobicContact CZ-CD2 4.09Å; F1055-L1059 HydrophobicContact CZ-CG 4.08Å; F1055-L1059 WeakPolarHBondContact O-CG 3.35Å; F1055-L1059 PolarHBondContact O-N 3.45Å |
| 1056 | L | 82.5 | Confident | 73.8 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 177.3 | -63.2 | 180 | 0 | 0 | 0 | 112.2 | V964 T970 L975 L1052 R1053 Q1058 L1059 K1060 L1070 | V964-L1056 WeakPolarHBondContact O-CD2 3.45Å; T970-L1056 HydrophobicContact CG2-CD1 4.39Å; L975-L1056 HydrophobicContact CD1-CD1 4.28Å; L1052-L1056 WeakPolarHBondContact O-CG 3.37Å; L1052-L1056 PolarHBondContact O-N 3.32Å; R1053-L1056 PolarHBondContact O-N 3.21Å; R1053-L1056 VanDerWaalsContact O-N 3.12Å; L1056-Q1058 VanDerWaalsContact C-N 3.31Å; L1056-Q1058 PolarHBondContact O-N 2.87Å; L1056-L1059 HydrophobicContact CD2-CD1 4.07Å; L1056-L1059 PolarHBondContact O-N 3.47Å; L1056-K1060 WeakPolarHBondContact O-CG 3.09Å; L1056-K1060 PolarHBondContact O-N 3.02Å; L1056-K1060 VanDerWaalsContact O-N 3.11Å; L1056-L1070 HydrophobicContact CB-CD1 4.21Å; L1056-L1070 HydrophobicContact CD1-CD1 3.71Å; L1056-L1070 HydrophobicContact CD1-CD2 3.83Å; L1056-L1070 HydrophobicContact CD1-CG 4.46Å |
| 1057 | V | 76 | Confident | 72.2 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 6% | 0.061 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 173.3 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | G181 T184 R1053 F1055 K1060 E1061 V1067 | G181-V1057 VanDerWaalsContact O-CG2 3.24Å; G181-V1057 WeakPolarHBondContact O-CG2 3.49Å; T184-V1057 HydrophobicContact CG2-CB 4.35Å; T184-V1057 HydrophobicContact CG2-CG1 4.02Å; R1053-V1057 VanDerWaalsContact O-CG2 3.31Å; R1053-V1057 WeakPolarHBondContact O-CG2 3.27Å; R1053-V1057 PolarHBondContact O-N 2.92Å; F1055-V1057 VanDerWaalsContact C-N 3.34Å; F1055-V1057 PolarHBondContact O-N 3.46Å; V1057-K1060 PolarHBondContact O-N 3.26Å; V1057-E1061 PolarHBondContact O-N 3.37Å; V1057-E1061 VanDerWaalsContact O-N 3.08Å; V1057-V1067 HydrophobicContact CG2-CG2 4.35Å |
| 1058 | Q | 77.1 | Confident | 70.4 | Confident | 45 Ų | 45 | 34 Ų | 34 | 21% | 0.21 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -36.9 | 177.3 | -76.7 | 175.5 | 66 | 0 | 0 | 113.1 | T184 D1054 F1055 L1056 K1060 E1061 | T184-Q1058 HydrophobicContact CG2-CG 4.17Å; D1054-Q1058 VanDerWaalsContact O-CG 3.27Å; D1054-Q1058 WeakPolarHBondContact O-CG 3.48Å; D1054-Q1058 PolarHBondContact O-N 3.46Å; D1054-Q1058 VanDerWaalsContact O-N 3.09Å; D1054-Q1058 PolarHBondContact O-NE2 3.31Å; F1055-Q1058 WeakPolarHBondContact O-CB 3.46Å; F1055-Q1058 PolarHBondContact O-N 3.19Å; F1055-Q1058 VanDerWaalsContact O-N 3.11Å; L1056-Q1058 VanDerWaalsContact C-N 3.31Å; L1056-Q1058 PolarHBondContact O-N 2.87Å; Q1058-K1060 VanDerWaalsContact C-N 3.26Å; Q1058-K1060 PolarHBondContact O-N 2.81Å; Q1058-E1061 PolarHBondContact O-N 2.92Å |
| 1059 | L | 78.8 | Confident | 68.7 | Low | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.9 | -39 | 172.2 | -68.3 | 178 | 0 | 0 | 0 | 111.3 | T965 F1023 L1026 F1055 L1056 Y1062 | T965-L1059 HydrophobicContact CG2-CD1 3.96Å; F1023-L1059 HydrophobicContact CB-CD2 3.93Å; F1023-L1059 HydrophobicContact CD1-CD2 3.57Å; F1023-L1059 HydrophobicContact CD2-CD2 3.73Å; F1023-L1059 HydrophobicContact CE1-CD1 4.33Å; F1023-L1059 HydrophobicContact CE1-CD2 3.97Å; F1023-L1059 HydrophobicContact CE2-CD1 4.31Å; F1023-L1059 HydrophobicContact CE2-CD2 4.13Å; F1023-L1059 HydrophobicContact CG-CD2 3.43Å; F1023-L1059 VanDerWaalsContact CG-CD2 3.43Å; F1023-L1059 HydrophobicContact CZ-CD1 4.12Å; F1023-L1059 HydrophobicContact CZ-CD2 4.25Å; L1026-L1059 HydrophobicContact CD1-CD2 3.73Å; L1026-L1059 HydrophobicContact CG-CD2 4.38Å; F1055-L1059 HydrophobicContact CD2-CD1 4.44Å; F1055-L1059 HydrophobicContact CD2-CD2 4.48Å; F1055-L1059 HydrophobicContact CD2-CG 4.12Å; F1055-L1059 HydrophobicContact CE1-CD1 4.15Å; F1055-L1059 HydrophobicContact CE2-CD1 3.92Å; F1055-L1059 HydrophobicContact CE2-CD2 3.69Å; F1055-L1059 HydrophobicContact CE2-CG 3.71Å; F1055-L1059 HydrophobicContact CZ-CD1 3.76Å; F1055-L1059 HydrophobicContact CZ-CD2 4.09Å; F1055-L1059 HydrophobicContact CZ-CG 4.08Å; F1055-L1059 WeakPolarHBondContact O-CG 3.35Å; F1055-L1059 PolarHBondContact O-N 3.45Å; L1056-L1059 HydrophobicContact CD2-CD1 4.07Å; L1056-L1059 PolarHBondContact O-N 3.47Å; L1059-Y1062 PolarHBondContact O-N 3.3Å |
| 1060 | K | 67.5 | Low | 67.1 | Low | 19 Ų | 19 | 37 Ų | 37 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -80.4 | -16.2 | -176.8 | -67.7 | -165.1 | -177.3 | -165.2 | 0 | 115.3 | S967 L1056 V1057 Q1058 Y1062 A1063 G1064 E1065 D1066 V1067 | S967-K1060 WeakPolarHBondContact OG-CE 3.47Å; S967-K1060 PolarHBondContact OG-NZ 3.23Å; L1056-K1060 WeakPolarHBondContact O-CG 3.09Å; L1056-K1060 PolarHBondContact O-N 3.02Å; L1056-K1060 VanDerWaalsContact O-N 3.11Å; V1057-K1060 PolarHBondContact O-N 3.26Å; Q1058-K1060 VanDerWaalsContact C-N 3.26Å; Q1058-K1060 PolarHBondContact O-N 2.81Å; K1060-Y1062 PolarHBondContact O-N 2.79Å; K1060-A1063 PolarHBondContact O-N 3.32Å; K1060-G1064 PolarHBondContact O-N 3.13Å; K1060-G1064 VanDerWaalsContact O-N 3.13Å; K1060-E1065 HydrophobicContact CD-CB 3.8Å; K1060-E1065 WeakPolarHBondContact CD-O 3.43Å; K1060-E1065 PolarHBondContact NZ-O 2.9Å; K1060-E1065 IonicContact NZ-OE2 3.72Å; K1060-D1066 VanDerWaalsContact NZ-C 3.34Å; K1060-D1066 PolarHBondContact NZ-O 2.89Å; K1060-V1067 HydrophobicContact CD-CG1 3.68Å; K1060-V1067 HydrophobicContact CD-CG2 4.28Å; K1060-V1067 VanDerWaalsContact CE-CG1 3.45Å |
| 1061 | E | 65.3 | Low | 65.8 | Low | 54 Ų | 54 | 37.3 Ų | 37.3 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -54.7 | -9.7 | 166.7 | -74.3 | -164 | 158 | 0 | 0 | 111.6 | T86 R89 V1057 Q1058 | T86-E1061 CarbonylContact C-O 3.11Å; T86-E1061 WeakPolarHBondContact CA-O 3.4Å; R89-E1061 IonicContact CZ-OE2 2.82Å; R89-E1061 IonicContact NH1-OE1 2.87Å; R89-E1061 IonicContact NH1-OE2 2.64Å; R89-E1061 PolarHBondContact NH1-OE2 2.91Å; R89-E1061 IonicContact NH2-OE1 3.4Å; R89-E1061 IonicContact NH2-OE2 3.77Å; V1057-E1061 PolarHBondContact O-N 3.37Å; V1057-E1061 VanDerWaalsContact O-N 3.08Å; Q1058-E1061 PolarHBondContact O-N 2.92Å |
| 1062 | Y | 55.9 | Low | 64.2 | Low | 84 Ų | 84 | 40.3 Ų | 40.3 | 33% | 0.329 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -113.3 | -28.2 | 168.5 | -99.9 | -109.6 | 0 | 0 | 0 | 116.4 | K90 H1025 L1059 K1060 | K90-Y1062 HydrophobicContact CD-CE1 3.74Å; K90-Y1062 HydrophobicContact CD-CE2 4.24Å; K90-Y1062 VanDerWaalsContact CD-CZ 3.42Å; K90-Y1062 WeakPolarHBondContact CD-OH 3.47Å; K90-Y1062 WeakPolarHBondContact CE-OH 3.24Å; K90-Y1062 VanDerWaalsContact NZ-CZ 3.31Å; K90-Y1062 PolarHBondContact NZ-OH 2.65Å; H1025-Y1062 HydrophobicContact CB-CD1 3.94Å; H1025-Y1062 HydrophobicContact CB-CD2 4.28Å; H1025-Y1062 HydrophobicContact CB-CE1 3.62Å; H1025-Y1062 HydrophobicContact CB-CE2 4.02Å; H1025-Y1062 HydrophobicContact CB-CG 4.21Å; H1025-Y1062 AromaticContact CD2-CD2 3.76Å; H1025-Y1062 AromaticContact CD2-CG 3.8Å; H1025-Y1062 AromaticContact CG-CG 3.99Å; L1059-Y1062 PolarHBondContact O-N 3.3Å; K1060-Y1062 PolarHBondContact O-N 2.79Å |
| 1063 | A | 49.7 | Very low | 62.8 | Low | 67 Ų | 67 | 42.1 Ų | 42.1 | 55% | 0.554 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -101.9 | -23.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | K1060 | K1060-A1063 PolarHBondContact O-N 3.32Å |
| 1064 | G | 47.6 | Very low | 61.8 | Low | 51 Ų | 51 | 44.7 Ų | 44.7 | 53% | 0.526 | 25% | 0.246 | S | C | . | . | trans | 80.3 | 20.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | K1060 | K1060-G1064 PolarHBondContact O-N 3.13Å; K1060-G1064 VanDerWaalsContact O-N 3.13Å | ||
| 1065 | E | 48.3 | Very low | 60.4 | Low | 95 Ų | 95 | 49.5 Ų | 49.5 | 44% | 0.444 | 27% | 0.265 | S | S | . | . | trans | -93.5 | 157.1 | 179.8 | -65.1 | 170.9 | 164.5 | 0 | 0 | 113.6 | S967 K1060 | S967-E1065 WeakPolarHBondContact CB-OE2 3.48Å; S967-E1065 PolarHBondContact OG-OE2 2.69Å; K1060-E1065 HydrophobicContact CD-CB 3.8Å; K1060-E1065 WeakPolarHBondContact CD-O 3.43Å; K1060-E1065 PolarHBondContact NZ-O 2.9Å; K1060-E1065 IonicContact NZ-OE2 3.72Å | ||
| 1066 | D | 48 | Very low | 59.1 | Low | 95 Ų | 95 | 53.1 Ų | 53.1 | 51% | 0.508 | 28% | 0.282 | S | S | . | . | trans | -79.4 | 139.5 | 177.4 | -163 | -19.5 | 0 | 0 | 0 | 112.1 | Q971 K1060 S1068 | Q971-D1066 PolarHBondContact NE2-O 3.31Å; K1060-D1066 VanDerWaalsContact NZ-C 3.34Å; K1060-D1066 PolarHBondContact NZ-O 2.89Å; D1066-S1068 WeakPolarHBondContact OD1-CB 3.25Å; D1066-S1068 PolarHBondContact OD1-N 3.16Å; D1066-S1068 PolarHBondContact OD1-OG 2.91Å; D1066-S1068 PolarHBondContact OD2-OG 3.07Å | ||
| 1067 | V | 51.5 | Low | 58.2 | Low | 9 Ų | 9 | 57.2 Ų | 57.2 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | trans | -124.7 | 3.2 | -174.7 | -98 | 0 | 0 | 0 | 0 | 112.8 | G181 V1057 K1060 D1069 L1070 | G181-V1067 WeakPolarHBondContact O-CG2 3.29Å; V1057-V1067 HydrophobicContact CG2-CG2 4.35Å; K1060-V1067 HydrophobicContact CD-CG1 3.68Å; K1060-V1067 HydrophobicContact CD-CG2 4.28Å; K1060-V1067 VanDerWaalsContact CE-CG1 3.45Å; V1067-D1069 PolarHBondContact O-N 3.42Å; V1067-D1069 VanDerWaalsContact O-N 3.14Å; V1067-L1070 HydrophobicContact CB-CD1 3.91Å; V1067-L1070 HydrophobicContact CB-CG 4.37Å; V1067-L1070 HydrophobicContact CG1-CD1 3.52Å; V1067-L1070 HydrophobicContact CG1-CG 4.18Å; V1067-L1070 WeakPolarHBondContact O-CB 3.34Å; V1067-L1070 WeakPolarHBondContact O-CG 3.38Å; V1067-L1070 PolarHBondContact O-N 3.02Å; V1067-L1070 VanDerWaalsContact O-N 3.12Å | ||
| 1068 | S | 48.7 | Very low | 57.6 | Low | 54 Ų | 54 | 62.8 Ų | 62.8 | 38% | 0.378 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -55.3 | -30.9 | 178.6 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | D1066 L1070 | D1066-S1068 WeakPolarHBondContact OD1-CB 3.25Å; D1066-S1068 PolarHBondContact OD1-N 3.16Å; D1066-S1068 PolarHBondContact OD1-OG 2.91Å; D1066-S1068 PolarHBondContact OD2-OG 3.07Å; S1068-L1070 VanDerWaalsContact C-N 3.28Å; S1068-L1070 PolarHBondContact O-N 3.25Å |
| 1069 | D | 52.2 | Low | 56.6 | Low | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.342 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -69.4 | -14.3 | 180 | -64.3 | -35.6 | 0 | 0 | 0 | 115.2 | Q971 V1067 Y1071 L1072 | Q971-D1069 HydrophobicContact CG-CB 3.97Å; Q971-D1069 PolarHBondContact NE2-OD2 3.5Å; V1067-D1069 PolarHBondContact O-N 3.42Å; V1067-D1069 VanDerWaalsContact O-N 3.14Å; D1069-Y1071 PolarHBondContact O-N 3.4Å; D1069-L1072 HydrophobicContact CB-CD1 3.8Å; D1069-L1072 HydrophobicContact CB-CG 4.38Å; D1069-L1072 WeakPolarHBondContact O-CG 3.21Å; D1069-L1072 PolarHBondContact O-N 3.08Å; D1069-L1072 VanDerWaalsContact O-N 3.17Å |
| 1070 | L | 54.6 | Low | 56 | Low | 9 Ų | 9 | 71.5 Ų | 71.5 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -64.4 | -7.6 | 177.8 | -64.4 | 176.5 | 0 | 0 | 0 | 113.8 | T970 L975 R1053 L1056 V1067 S1068 | T970-L1070 HydrophobicContact CG2-CD2 3.74Å; L975-L1070 HydrophobicContact CB-CD2 4.33Å; L975-L1070 HydrophobicContact CD2-CD2 4.45Å; R1053-L1070 HydrophobicContact CG-CB 4.28Å; R1053-L1070 HydrophobicContact CG-CD1 4.19Å; R1053-L1070 PolarHBondContact NE-O 2.99Å; R1053-L1070 PolarHBondContact NH2-O 2.97Å; L1056-L1070 HydrophobicContact CB-CD1 4.21Å; L1056-L1070 HydrophobicContact CD1-CD1 3.71Å; L1056-L1070 HydrophobicContact CD1-CD2 3.83Å; L1056-L1070 HydrophobicContact CD1-CG 4.46Å; V1067-L1070 HydrophobicContact CB-CD1 3.91Å; V1067-L1070 HydrophobicContact CB-CG 4.37Å; V1067-L1070 HydrophobicContact CG1-CD1 3.52Å; V1067-L1070 HydrophobicContact CG1-CG 4.18Å; V1067-L1070 WeakPolarHBondContact O-CB 3.34Å; V1067-L1070 WeakPolarHBondContact O-CG 3.38Å; V1067-L1070 PolarHBondContact O-N 3.02Å; V1067-L1070 VanDerWaalsContact O-N 3.12Å; S1068-L1070 VanDerWaalsContact C-N 3.28Å; S1068-L1070 PolarHBondContact O-N 3.25Å |
| 1071 | Y | 55.9 | Low | 56.1 | Low | 45 Ų | 45 | 75.3 Ų | 75.3 | 18% | 0.176 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -108.2 | 2.2 | -178.9 | -62.4 | -95 | 0 | 0 | 0 | 113.7 | R1053 D1069 E1073 E1074 K1075 | R1053-Y1071 VanDerWaalsContact CZ-CD1 3.47Å; R1053-Y1071 VanDerWaalsContact NH1-CE1 3.32Å; D1069-Y1071 PolarHBondContact O-N 3.4Å; Y1071-E1073 VanDerWaalsContact C-N 3.31Å; Y1071-E1073 PolarHBondContact O-N 3.27Å; Y1071-E1074 WeakPolarHBondContact CD1-OE2 3.5Å; Y1071-E1074 PolarHBondContact O-N 3.23Å; Y1071-K1075 PolarHBondContact O-N 3.21Å |
| 1072 | L | 52.6 | Low | 56.2 | Low | 94 Ų | 94 | 76.5 Ų | 76.5 | 49% | 0.492 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.5 | -40.2 | -177.9 | -72.6 | 169 | 0 | 0 | 0 | 112.8 | D1069 K1075 E1076 | D1069-L1072 HydrophobicContact CB-CD1 3.8Å; D1069-L1072 HydrophobicContact CB-CG 4.38Å; D1069-L1072 WeakPolarHBondContact O-CG 3.21Å; D1069-L1072 PolarHBondContact O-N 3.08Å; D1069-L1072 VanDerWaalsContact O-N 3.17Å; L1072-K1075 WeakPolarHBondContact O-CB 3.25Å; L1072-K1075 PolarHBondContact O-N 3.03Å; L1072-E1076 PolarHBondContact O-N 3.29Å |
| 1073 | E | 57.7 | Low | 56.8 | Low | 38 Ų | 38 | 78.1 Ų | 78.1 | 18% | 0.178 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -74 | -30.8 | -176.3 | -161 | 178.8 | 171.3 | 0 | 0 | 113.2 | T976 Y1071 K1075 E1076 Q1077 | T976-E1073 WeakPolarHBondContact CA-OE2 3.41Å; T976-E1073 VanDerWaalsContact CB-OE1 3.27Å; T976-E1073 WeakPolarHBondContact CB-OE1 3.5Å; T976-E1073 WeakPolarHBondContact CB-OE2 3.42Å; T976-E1073 PolarHBondContact N-OE2 3.41Å; T976-E1073 PolarHBondContact OG1-OE2 2.69Å; Y1071-E1073 VanDerWaalsContact C-N 3.31Å; Y1071-E1073 PolarHBondContact O-N 3.27Å; E1073-K1075 VanDerWaalsContact C-N 3.34Å; E1073-E1076 PolarHBondContact O-N 3.38Å; E1073-Q1077 WeakPolarHBondContact O-CG 3.45Å; E1073-Q1077 PolarHBondContact O-N 3.13Å |
| 1074 | E | 60.5 | Low | 57.9 | Low | 56 Ų | 56 | 81.4 Ų | 81.4 | 26% | 0.262 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 171.7 | -77.7 | 176.2 | 164.1 | 0 | 0 | 111.4 | K1049 R1053 Y1071 E1076 Q1077 E1078 | K1049-E1074 WeakPolarHBondContact CE-OE1 3.31Å; K1049-E1074 VanDerWaalsContact NZ-CD 3.3Å; K1049-E1074 IonicContact NZ-OE1 3.42Å; K1049-E1074 PolarHBondContact NZ-OE1 2.91Å; R1053-E1074 IonicContact CZ-OE1 3.51Å; R1053-E1074 IonicContact CZ-OE2 3.62Å; R1053-E1074 VanDerWaalsContact CZ-OE2 3.28Å; R1053-E1074 IonicContact NH1-OE1 2.83Å; R1053-E1074 PolarHBondContact NH1-OE1 3.08Å; R1053-E1074 IonicContact NH1-OE2 3.75Å; R1053-E1074 PolarHBondContact NH1-OE2 3.31Å; R1053-E1074 IonicContact NH2-OE1 3.8Å; R1053-E1074 PolarHBondContact NH2-OE1 3.19Å; R1053-E1074 IonicContact NH2-OE2 3.94Å; R1053-E1074 PolarHBondContact NH2-OE2 2.96Å; Y1071-E1074 WeakPolarHBondContact CD1-OE2 3.5Å; Y1071-E1074 PolarHBondContact O-N 3.23Å; E1074-E1076 VanDerWaalsContact C-N 3.3Å; E1074-E1076 PolarHBondContact O-N 2.96Å; E1074-Q1077 PolarHBondContact O-N 3.4Å; E1074-E1078 WeakPolarHBondContact O-CB 3.34Å; E1074-E1078 PolarHBondContact O-N 2.82Å |
| 1075 | K | 53.2 | Low | 59.1 | Low | 134 Ų | 134 | 83.2 Ų | 83.2 | 58% | 0.583 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.1 | -40 | 171.5 | -68.8 | -174.8 | 176.5 | -178.9 | 0 | 111.2 | Y1071 L1072 E1073 M1079 | Y1071-K1075 PolarHBondContact O-N 3.21Å; L1072-K1075 WeakPolarHBondContact O-CB 3.25Å; L1072-K1075 PolarHBondContact O-N 3.03Å; E1073-K1075 VanDerWaalsContact C-N 3.34Å; K1075-M1079 WeakPolarHBondContact O-CB 3.17Å; K1075-M1079 WeakPolarHBondContact O-CG 3.48Å; K1075-M1079 PolarHBondContact O-N 3.38Å |
| 1076 | E | 57.9 | Low | 60.4 | Low | 77 Ų | 77 | 85.4 Ų | 85.4 | 36% | 0.36 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 177.9 | -168.7 | 168.5 | -175.6 | 0 | 0 | 112.4 | R919 L1072 E1073 E1074 M1079 Q1080 | R919-E1076 IonicContact CZ-OE2 3.22Å; R919-E1076 IonicContact NH1-OE2 3.28Å; R919-E1076 IonicContact NH2-OE2 2.62Å; R919-E1076 PolarHBondContact NH2-OE2 3.08Å; L1072-E1076 PolarHBondContact O-N 3.29Å; E1073-E1076 PolarHBondContact O-N 3.38Å; E1074-E1076 VanDerWaalsContact C-N 3.3Å; E1074-E1076 PolarHBondContact O-N 2.96Å; E1076-M1079 WeakPolarHBondContact O-CB 3.27Å; E1076-M1079 PolarHBondContact O-N 3.14Å; E1076-Q1080 WeakPolarHBondContact O-CG 3.36Å; E1076-Q1080 PolarHBondContact O-N 3.32Å |
| 1077 | Q | 63.6 | Low | 61.7 | Low | 90 Ų | 90 | 88.3 Ų | 88.3 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.5 | -73.2 | 178.3 | 0.5 | 0 | 0 | 112.1 | E1073 E1074 M1079 Q1080 V1081 | E1073-Q1077 WeakPolarHBondContact O-CG 3.45Å; E1073-Q1077 PolarHBondContact O-N 3.13Å; E1074-Q1077 PolarHBondContact O-N 3.4Å; Q1077-M1079 VanDerWaalsContact C-N 3.32Å; Q1077-M1079 PolarHBondContact O-N 2.98Å; Q1077-Q1080 PolarHBondContact O-N 2.58Å; Q1077-V1081 WeakPolarHBondContact O-CG2 3.3Å; Q1077-V1081 PolarHBondContact O-N 3.34Å |
| 1078 | E | 62.4 | Low | 63.1 | Low | 127 Ų | 127 | 94.1 Ų | 94.1 | 59% | 0.593 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | 174.8 | -172.2 | 177.8 | -171.9 | 0 | 0 | 111 | E1074 Q1080 V1081 I1082 | E1074-E1078 WeakPolarHBondContact O-CB 3.34Å; E1074-E1078 PolarHBondContact O-N 2.82Å; E1078-Q1080 PolarHBondContact O-N 2.71Å; E1078-V1081 PolarHBondContact O-N 3.29Å; E1078-I1082 HydrophobicContact CG-CD1 3.98Å; E1078-I1082 WeakPolarHBondContact O-CB 3.46Å; E1078-I1082 WeakPolarHBondContact O-CD1 3.15Å; E1078-I1082 VanDerWaalsContact O-CG1 3.23Å; E1078-I1082 WeakPolarHBondContact O-CG1 3.45Å; E1078-I1082 PolarHBondContact O-N 2.88Å |
| 1079 | M | 56.1 | Low | 64.4 | Low | 135 Ų | 135 | 93.1 Ų | 93.1 | 67% | 0.665 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.8 | -41.1 | 174.9 | -74.8 | 176.1 | 66.4 | 0 | 0 | 112.9 | K1075 E1076 Q1077 I1082 L1083 | K1075-M1079 WeakPolarHBondContact O-CB 3.17Å; K1075-M1079 WeakPolarHBondContact O-CG 3.48Å; K1075-M1079 PolarHBondContact O-N 3.38Å; E1076-M1079 WeakPolarHBondContact O-CB 3.27Å; E1076-M1079 PolarHBondContact O-N 3.14Å; Q1077-M1079 VanDerWaalsContact C-N 3.32Å; Q1077-M1079 PolarHBondContact O-N 2.98Å; M1079-I1082 PolarHBondContact O-N 3.35Å; M1079-L1083 WeakPolarHBondContact O-CB 3.21Å; M1079-L1083 PolarHBondContact O-N 2.81Å |
| 1080 | Q | 67.1 | Low | 65.7 | Low | 105 Ų | 105 | 90.8 Ų | 90.8 | 49% | 0.491 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 177.3 | -74.4 | -171.3 | 9 | 0 | 0 | 112.4 | E1076 Q1077 E1078 L1083 Q1084 | E1076-Q1080 WeakPolarHBondContact O-CG 3.36Å; E1076-Q1080 PolarHBondContact O-N 3.32Å; Q1077-Q1080 PolarHBondContact O-N 2.58Å; E1078-Q1080 PolarHBondContact O-N 2.71Å; Q1080-L1083 PolarHBondContact O-N 3.15Å; Q1080-Q1084 WeakPolarHBondContact O-CG 3.37Å; Q1080-Q1084 PolarHBondContact O-N 3.06Å |
| 1081 | V | 70.3 | Confident | 66.9 | Low | 98 Ų | 98 | 93.5 Ų | 93.5 | 59% | 0.594 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.8 | -44.7 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | Q1077 E1078 L1083 Q1084 E1085 | Q1077-V1081 WeakPolarHBondContact O-CG2 3.3Å; Q1077-V1081 PolarHBondContact O-N 3.34Å; E1078-V1081 PolarHBondContact O-N 3.29Å; V1081-L1083 VanDerWaalsContact C-N 3.32Å; V1081-L1083 PolarHBondContact O-N 2.99Å; V1081-Q1084 PolarHBondContact O-N 2.81Å; V1081-E1085 PolarHBondContact O-N 3.27Å; V1081-E1085 VanDerWaalsContact O-N 3.08Å |
| 1082 | I | 66.2 | Low | 68.2 | Low | 80 Ų | 80 | 96.8 Ų | 96.8 | 41% | 0.41 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 175.1 | -68.7 | 167 | 0 | 0 | 0 | 110.9 | E1078 M1079 K1086 | E1078-I1082 HydrophobicContact CG-CD1 3.98Å; E1078-I1082 WeakPolarHBondContact O-CB 3.46Å; E1078-I1082 WeakPolarHBondContact O-CD1 3.15Å; E1078-I1082 VanDerWaalsContact O-CG1 3.23Å; E1078-I1082 WeakPolarHBondContact O-CG1 3.45Å; E1078-I1082 PolarHBondContact O-N 2.88Å; M1079-I1082 PolarHBondContact O-N 3.35Å; I1082-K1086 HydrophobicContact CG2-CD 4.15Å; I1082-K1086 HydrophobicContact CG2-CG 4.44Å; I1082-K1086 WeakPolarHBondContact O-CB 3.3Å; I1082-K1086 VanDerWaalsContact O-CG 3.26Å; I1082-K1086 WeakPolarHBondContact O-CG 2.87Å; I1082-K1086 PolarHBondContact O-N 3.3Å |
| 1083 | L | 69.2 | Low | 69.7 | Low | 118 Ų | 118 | 92.8 Ų | 92.8 | 62% | 0.618 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.4 | -41.4 | 179.5 | -174.9 | 66 | 0 | 0 | 0 | 112.6 | M1079 Q1080 V1081 K1086 R1087 | M1079-L1083 WeakPolarHBondContact O-CB 3.21Å; M1079-L1083 PolarHBondContact O-N 2.81Å; Q1080-L1083 PolarHBondContact O-N 3.15Å; V1081-L1083 VanDerWaalsContact C-N 3.32Å; V1081-L1083 PolarHBondContact O-N 2.99Å; L1083-K1086 PolarHBondContact O-N 2.65Å; L1083-R1087 PolarHBondContact O-N 3.44Å |
| 1084 | Q | 72.9 | Confident | 71 | Confident | 135 Ų | 135 | 94.4 Ų | 94.4 | 63% | 0.631 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.2 | -45.3 | 176.5 | -73.5 | 179.7 | 5.7 | 0 | 0 | 111.4 | Q1080 V1081 R1087 R1088 | Q1080-Q1084 WeakPolarHBondContact O-CG 3.37Å; Q1080-Q1084 PolarHBondContact O-N 3.06Å; V1081-Q1084 PolarHBondContact O-N 2.81Å; Q1084-R1087 PolarHBondContact O-N 3.47Å; Q1084-R1088 PolarHBondContact O-N 2.95Å |
| 1085 | E | 73 | Confident | 72.2 | Confident | 90 Ų | 90 | 92.2 Ų | 92.2 | 42% | 0.421 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 177 | -178.2 | 57.5 | -165.7 | 0 | 0 | 111.7 | V1081 R1087 R1088 V1089 | V1081-E1085 PolarHBondContact O-N 3.27Å; V1081-E1085 VanDerWaalsContact O-N 3.08Å; E1085-R1087 VanDerWaalsContact C-N 3.35Å; E1085-R1087 PolarHBondContact O-N 2.92Å; E1085-R1088 WeakPolarHBondContact O-CB 3.48Å; E1085-R1088 PolarHBondContact O-N 3.35Å; E1085-R1088 IonicContact OE1-CZ 2.72Å; E1085-R1088 IonicContact OE1-NE 2.86Å; E1085-R1088 PolarHBondContact OE1-NE 3.41Å; E1085-R1088 IonicContact OE1-NH2 3.7Å; E1085-R1088 PolarHBondContact OE1-NH2 3.4Å; E1085-R1088 IonicContact OE2-CZ 2.91Å; E1085-R1088 IonicContact OE2-NE 3.61Å; E1085-R1088 PolarHBondContact OE2-NE 3.25Å; E1085-R1088 IonicContact OE2-NH2 3.8Å; E1085-V1089 WeakPolarHBondContact O-CG2 3.36Å; E1085-V1089 PolarHBondContact O-N 2.85Å |
| 1086 | K | 74.5 | Confident | 73.9 | Confident | 140 Ų | 140 | 86.5 Ų | 86.5 | 61% | 0.609 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.2 | -45.5 | 171.8 | -80.3 | -178.9 | 178 | -171.8 | 0 | 111.9 | I1082 L1083 R1088 V1089 A1090 | I1082-K1086 HydrophobicContact CG2-CD 4.15Å; I1082-K1086 HydrophobicContact CG2-CG 4.44Å; I1082-K1086 WeakPolarHBondContact O-CB 3.3Å; I1082-K1086 VanDerWaalsContact O-CG 3.26Å; I1082-K1086 WeakPolarHBondContact O-CG 2.87Å; I1082-K1086 PolarHBondContact O-N 3.3Å; L1083-K1086 PolarHBondContact O-N 2.65Å; K1086-R1088 PolarHBondContact O-N 3.46Å; K1086-V1089 PolarHBondContact O-N 3.23Å; K1086-A1090 VanDerWaalsContact O-CB 3.32Å; K1086-A1090 WeakPolarHBondContact O-CB 3.43Å; K1086-A1090 PolarHBondContact O-N 2.99Å |
| 1087 | R | 76.3 | Confident | 75.3 | Confident | 156 Ų | 156 | 84.1 Ų | 84.1 | 59% | 0.589 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.4 | -39.2 | 178.1 | -168.8 | 175.1 | -174.7 | 173.4 | 2.3 | 111.9 | L1083 Q1084 E1085 A1090 S1091 | L1083-R1087 PolarHBondContact O-N 3.44Å; Q1084-R1087 PolarHBondContact O-N 3.47Å; E1085-R1087 VanDerWaalsContact C-N 3.35Å; E1085-R1087 PolarHBondContact O-N 2.92Å; R1087-A1090 PolarHBondContact O-N 3.25Å; R1087-S1091 PolarHBondContact O-N 3.31Å |
| 1088 | R | 79.6 | Confident | 76.3 | Confident | 131 Ų | 131 | 80.4 Ų | 80.4 | 49% | 0.494 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 175.2 | -168.1 | -168.3 | 71.6 | 78.2 | 1.7 | 111.1 | Q1084 E1085 K1086 S1091 | Q1084-R1088 PolarHBondContact O-N 2.95Å; E1085-R1088 WeakPolarHBondContact O-CB 3.48Å; E1085-R1088 PolarHBondContact O-N 3.35Å; E1085-R1088 IonicContact OE1-CZ 2.72Å; E1085-R1088 IonicContact OE1-NE 2.86Å; E1085-R1088 PolarHBondContact OE1-NE 3.41Å; E1085-R1088 IonicContact OE1-NH2 3.7Å; E1085-R1088 PolarHBondContact OE1-NH2 3.4Å; E1085-R1088 IonicContact OE2-CZ 2.91Å; E1085-R1088 IonicContact OE2-NE 3.61Å; E1085-R1088 PolarHBondContact OE2-NE 3.25Å; E1085-R1088 IonicContact OE2-NH2 3.8Å; K1086-R1088 PolarHBondContact O-N 3.46Å; R1088-S1091 PolarHBondContact O-N 2.69Å; R1088-S1091 PolarHBondContact O-OG 3.42Å |
| 1089 | V | 77.7 | Confident | 77.3 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 20% | 0.2 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 177.6 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | E1085 K1086 S1091 L1092 | E1085-V1089 WeakPolarHBondContact O-CG2 3.36Å; E1085-V1089 PolarHBondContact O-N 2.85Å; K1086-V1089 PolarHBondContact O-N 3.23Å; V1089-S1091 VanDerWaalsContact C-N 3.29Å; V1089-S1091 PolarHBondContact O-N 2.92Å; V1089-L1092 WeakPolarHBondContact O-CB 3.39Å; V1089-L1092 PolarHBondContact O-N 3Å; V1089-L1092 VanDerWaalsContact O-N 3.11Å |
| 1090 | A | 79.1 | Confident | 78.5 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 13% | 0.132 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60 | -38 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1086 R1087 L1092 V1093 M1096 L1097 | K1086-A1090 VanDerWaalsContact O-CB 3.32Å; K1086-A1090 WeakPolarHBondContact O-CB 3.43Å; K1086-A1090 PolarHBondContact O-N 2.99Å; R1087-A1090 PolarHBondContact O-N 3.25Å; A1090-L1092 PolarHBondContact O-N 2.94Å; A1090-L1092 VanDerWaalsContact O-N 3.16Å; A1090-V1093 PolarHBondContact O-N 3.3Å; A1090-V1093 VanDerWaalsContact O-N 3.17Å; A1090-M1096 HydrophobicContact CB-CB 4.19Å; A1090-M1096 HydrophobicContact CB-CG 3.61Å; A1090-M1096 WeakPolarHBondContact O-CB 3.31Å; A1090-L1097 HydrophobicContact CB-CD2 3.88Å; A1090-L1097 HydrophobicContact CB-CG 4.34Å |
| 1091 | S | 79.5 | Confident | 79.2 | Confident | 65 Ų | 65 | 70 Ų | 70 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63 | -20.3 | 177.6 | 74.2 | 0 | 0 | 0 | 0 | 114.5 | R1087 R1088 V1089 | R1087-S1091 PolarHBondContact O-N 3.31Å; R1088-S1091 PolarHBondContact O-N 2.69Å; R1088-S1091 PolarHBondContact O-OG 3.42Å; V1089-S1091 VanDerWaalsContact C-N 3.29Å; V1089-S1091 PolarHBondContact O-N 2.92Å |
| 1092 | L | 82.9 | Confident | 79.5 | Confident | 115 Ų | 115 | 67.5 Ų | 67.5 | 60% | 0.602 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -12.9 | 179.2 | -61.4 | 172.8 | 0 | 0 | 0 | 113.4 | V1089 A1090 | V1089-L1092 WeakPolarHBondContact O-CB 3.39Å; V1089-L1092 PolarHBondContact O-N 3Å; V1089-L1092 VanDerWaalsContact O-N 3.11Å; A1090-L1092 PolarHBondContact O-N 2.94Å; A1090-L1092 VanDerWaalsContact O-N 3.16Å |
| 1093 | V | 83.6 | Confident | 79.6 | Confident | 10 Ų | 10 | 70 Ų | 70 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -112.3 | 113.2 | -176.5 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | Y409 V494 Y495 A1090 G1095 M1096 | Y409-V1093 HydrophobicContact CD1-CG2 4.41Å; Y409-V1093 HydrophobicContact CE1-CB 4.45Å; Y409-V1093 HydrophobicContact CE1-CG1 4.05Å; Y409-V1093 HydrophobicContact CE1-CG2 3.61Å; Y409-V1093 HydrophobicContact CE2-CG1 4.48Å; V494-V1093 HydrophobicContact CG1-CG1 4.4Å; Y495-V1093 HydrophobicContact CE1-CG1 4.2Å; Y495-V1093 HydrophobicContact CE1-CG2 4.24Å; A1090-V1093 PolarHBondContact O-N 3.3Å; A1090-V1093 VanDerWaalsContact O-N 3.17Å; V1093-G1095 PolarHBondContact O-N 3.29Å; V1093-M1096 HydrophobicContact CB-CB 4.07Å; V1093-M1096 HydrophobicContact CB-CE 4.07Å; V1093-M1096 HydrophobicContact CG1-CB 4.49Å; V1093-M1096 HydrophobicContact CG1-CE 3.76Å; V1093-M1096 VanDerWaalsContact O-CB 3.23Å; V1093-M1096 WeakPolarHBondContact O-CB 3.15Å; V1093-M1096 PolarHBondContact O-N 3.33Å; V1093-M1096 VanDerWaalsContact O-N 3.14Å |
| 1094 | P | 85.3 | Confident | 78.9 | Confident | 72 Ų | 72 | 66.4 Ų | 66.4 | 47% | 0.468 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 138.2 | 177.2 | -27.7 | 35.9 | 0 | 0 | 0 | 112.2 | H498 G538 M1096 | H498-P1094 PolarHBondContact CE1-O 3.41Å; G538-P1094 CarbonylContact O-C 3.06Å; G538-P1094 VanDerWaalsContact O-CB 3.23Å; G538-P1094 WeakPolarHBondContact O-CB 2.99Å; P1094-M1096 PolarHBondContact O-N 3.09Å |
| 1095 | G | 85.9 | Confident | 77.7 | Confident | 9 Ų | 9 | 66 Ų | 66 | 9% | 0.093 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | -0.9 | -179 | 0 | 0 | 0 | 0 | 0 | 117 | R490 V494 S537 G538 V1093 | R490-G1095 PolarHBondContact NH2-O 3.13Å; V494-G1095 WeakPolarHBondContact CG2-O 3.49Å; S537-G1095 WeakPolarHBondContact O-CA 3.32Å; G538-G1095 PolarHBondContact O-N 2.89Å; V1093-G1095 PolarHBondContact O-N 3.29Å |
| 1096 | M | 89.4 | Confident | 76.4 | Confident | 15 Ų | 15 | 66 Ų | 66 | 7% | 0.074 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -44.7 | 176 | -161.8 | 62.6 | 71.1 | 0 | 0 | 112.6 | R490 E491 V494 Y495 A1090 V1093 P1094 | R490-M1096 VanDerWaalsContact CZ-O 3.31Å; R490-M1096 PolarHBondContact NH1-O 2.71Å; R490-M1096 PolarHBondContact NH2-O 3.09Å; E491-M1096 HydrophobicContact CB-SD 3.73Å; E491-M1096 HydrophobicContact CG-CE 4.02Å; E491-M1096 HydrophobicContact CG-SD 3.5Å; E491-M1096 WeakPolarHBondContact CG-SD 3.36Å; V494-M1096 HydrophobicContact CB-CE 4.22Å; V494-M1096 HydrophobicContact CB-SD 4.41Å; V494-M1096 HydrophobicContact CG1-CE 3.79Å; V494-M1096 HydrophobicContact CG1-SD 4.32Å; Y495-M1096 HydrophobicContact CD1-CE 3.96Å; Y495-M1096 HydrophobicContact CD2-CE 3.99Å; Y495-M1096 HydrophobicContact CE1-CE 3.51Å; Y495-M1096 HydrophobicContact CE2-CE 3.56Å; Y495-M1096 HydrophobicContact CG-CE 4.17Å; A1090-M1096 HydrophobicContact CB-CB 4.19Å; A1090-M1096 HydrophobicContact CB-CG 3.61Å; A1090-M1096 WeakPolarHBondContact O-CB 3.31Å; V1093-M1096 HydrophobicContact CB-CB 4.07Å; V1093-M1096 HydrophobicContact CB-CE 4.07Å; V1093-M1096 HydrophobicContact CG1-CB 4.49Å; V1093-M1096 HydrophobicContact CG1-CE 3.76Å; V1093-M1096 VanDerWaalsContact O-CB 3.23Å; V1093-M1096 WeakPolarHBondContact O-CB 3.15Å; V1093-M1096 PolarHBondContact O-N 3.33Å; V1093-M1096 VanDerWaalsContact O-N 3.14Å; P1094-M1096 PolarHBondContact O-N 3.09Å |
| 1097 | L | 85.6 | Confident | 75.1 | Confident | 26 Ų | 26 | 60.7 Ų | 60.7 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -77.2 | 137 | 170.6 | -64.5 | 179.6 | 0 | 0 | 0 | 109.6 | R490 A1090 I1102 | R490-L1097 PolarHBondContact NH2-O 3.29Å; A1090-L1097 HydrophobicContact CB-CD2 3.88Å; A1090-L1097 HydrophobicContact CB-CG 4.34Å; L1097-I1102 HydrophobicContact CB-CD1 4.24Å; L1097-I1102 HydrophobicContact CB-CG1 3.77Å; L1097-I1102 HydrophobicContact CD1-CG1 4.29Å |
| 1098 | N | 85.3 | Confident | 73.4 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 7% | 0.07 | 30% | 0.3 | C | S | . | . | trans | -61.7 | 139.1 | 173.4 | -176.3 | -53.3 | 0 | 0 | 0 | 108.1 | E461 R490 Q582 H1100 E1101 I1102 | E461-N1098 PolarHBondContact OE1-ND2 2.93Å; R490-N1098 VanDerWaalsContact NH2-CA 3.31Å; Q582-N1098 PolarHBondContact OE1-ND2 3.05Å; Q582-N1098 VanDerWaalsContact OE1-ND2 3.14Å; N1098-H1100 PolarHBondContact O-N 2.95Å; N1098-H1100 WeakPolarHBondContact OD1-CB 3.43Å; N1098-H1100 PolarHBondContact OD1-CD2 2.87Å; N1098-H1100 PolarHBondContact OD1-N 3.42Å; N1098-E1101 HydrophobicContact CB-CB 4.45Å; N1098-E1101 HydrophobicContact CB-CG 3.93Å; N1098-E1101 PolarHBondContact N-OE2 3.34Å; N1098-E1101 WeakPolarHBondContact O-CA 3.4Å; N1098-E1101 WeakPolarHBondContact O-CB 3.38Å; N1098-E1101 PolarHBondContact O-N 2.99Å; N1098-I1102 PolarHBondContact O-N 2.92Å | ||
| 1099 | P | 83.4 | Confident | 71.2 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 7% | 0.065 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -28.8 | 176.8 | -30.9 | 37.7 | 0 | 0 | 0 | 114.3 | S537 Q582 P584 K626 Q1107 | S537-P1099 WeakPolarHBondContact OG-CG 3.41Å; Q582-P1099 WeakPolarHBondContact O-CG 3.31Å; P584-P1099 HydrophobicContact CG-CB 3.74Å; K626-P1099 WeakPolarHBondContact CE-O 3.46Å; K626-P1099 PolarHBondContact NZ-O 3.43Å; P1099-Q1107 PolarHBondContact O-NE2 3.49Å |
| 1100 | H | 81.8 | Confident | 69.3 | Low | 48 Ų | 48 | 63.4 Ų | 63.4 | 22% | 0.222 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -25.4 | 175.1 | -55.7 | -56.1 | 0 | 0 | 0 | 114.1 | G581 K626 N1098 | G581-H1100 PolarHBondContact O-CE1 3.24Å; G581-H1100 PolarHBondContact O-NE2 2.64Å; K626-H1100 PolarHBondContact NZ-O 3.36Å; N1098-H1100 PolarHBondContact O-N 2.95Å; N1098-H1100 WeakPolarHBondContact OD1-CB 3.43Å; N1098-H1100 PolarHBondContact OD1-CD2 2.87Å; N1098-H1100 PolarHBondContact OD1-N 3.42Å |
| 1101 | E | 80.9 | Confident | 67 | Low | 91 Ų | 91 | 66.8 Ų | 66.8 | 43% | 0.425 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -18.3 | 177.4 | -65.3 | 170.6 | 154.3 | 0 | 0 | 113.7 | N1098 | N1098-E1101 HydrophobicContact CB-CB 4.45Å; N1098-E1101 HydrophobicContact CB-CG 3.93Å; N1098-E1101 PolarHBondContact N-OE2 3.34Å; N1098-E1101 WeakPolarHBondContact O-CA 3.4Å; N1098-E1101 WeakPolarHBondContact O-CB 3.38Å; N1098-E1101 PolarHBondContact O-N 2.99Å |
| 1102 | I | 77.1 | Confident | 64.6 | Low | 44 Ų | 44 | 69.9 Ų | 69.9 | 23% | 0.226 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -80.3 | 121.8 | 179.7 | -56.6 | 171.6 | 0 | 0 | 0 | 109.4 | K626 L1097 N1098 M1106 Q1107 | K626-I1102 PolarHBondContact NZ-O 3.48Å; L1097-I1102 HydrophobicContact CB-CD1 4.24Å; L1097-I1102 HydrophobicContact CB-CG1 3.77Å; L1097-I1102 HydrophobicContact CD1-CG1 4.29Å; N1098-I1102 PolarHBondContact O-N 2.92Å; I1102-M1106 HydrophobicContact CG2-CB 4.19Å; I1102-M1106 HydrophobicContact CG2-CE 4.43Å; I1102-Q1107 HydrophobicContact CB-CG 4.47Å; I1102-Q1107 HydrophobicContact CG2-CG 3.62Å |
| 1103 | Q | 67.8 | Low | 62 | Low | 133 Ų | 133 | 69.8 Ų | 69.8 | 62% | 0.621 | 38% | 0.378 | S | S | * | . | trans | -65.1 | 143.6 | 172.6 | -69.4 | 178.9 | -18.4 | 0 | 0 | 110.9 | D1105 M1106 | Q1103-D1105 VanDerWaalsContact C-N 3.31Å; Q1103-D1105 PolarHBondContact O-N 3.08Å; Q1103-M1106 HydrophobicContact CB-CE 4.25Å; Q1103-M1106 PolarHBondContact O-N 3.47Å | ||
| 1104 | E | 55.5 | Low | 59.4 | Low | 43 Ų | 43 | 75.3 Ų | 75.3 | 20% | 0.201 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58 | -38.1 | -172.5 | -74.1 | -171.4 | 170.8 | 0 | 0 | 113.7 | R628 M1106 Q1107 | R628-E1104 IonicContact CZ-OE1 3.9Å; R628-E1104 IonicContact CZ-OE2 2.83Å; R628-E1104 IonicContact NE-OE1 2.72Å; R628-E1104 PolarHBondContact NE-OE1 3.34Å; R628-E1104 IonicContact NE-OE2 3.35Å; R628-E1104 PolarHBondContact NE-OE2 3.47Å; R628-E1104 VanDerWaalsContact NH2-CD 3.3Å; R628-E1104 IonicContact NH2-OE1 3.91Å; R628-E1104 PolarHBondContact NH2-OE1 2.91Å; R628-E1104 IonicContact NH2-OE2 3.81Å; R628-E1104 PolarHBondContact NH2-OE2 3.14Å; E1104-M1106 PolarHBondContact O-N 3.39Å; E1104-M1106 VanDerWaalsContact O-N 3.12Å; E1104-Q1107 PolarHBondContact O-N 3.06Å |
| 1105 | D | 46.7 | Very low | 56.9 | Low | 127 Ų | 127 | 76.7 Ų | 76.7 | 68% | 0.679 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.7 | -24.7 | -177.7 | -62.8 | -24.2 | 0 | 0 | 0 | 113.3 | Q1103 | Q1103-D1105 VanDerWaalsContact C-N 3.31Å; Q1103-D1105 PolarHBondContact O-N 3.08Å |
| 1106 | M | 45.6 | Very low | 54.8 | Low | 89 Ų | 89 | 81.1 Ų | 81.1 | 44% | 0.438 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -80.4 | -23.1 | 174.6 | -70.8 | -166.6 | -75.9 | 0 | 0 | 113 | I1102 Q1103 E1104 | I1102-M1106 HydrophobicContact CG2-CB 4.19Å; I1102-M1106 HydrophobicContact CG2-CE 4.43Å; Q1103-M1106 HydrophobicContact CB-CE 4.25Å; Q1103-M1106 PolarHBondContact O-N 3.47Å; E1104-M1106 PolarHBondContact O-N 3.39Å; E1104-M1106 VanDerWaalsContact O-N 3.12Å |
| 1107 | Q | 48.5 | Very low | 52.2 | Low | 29 Ų | 29 | 85.6 Ų | 85.6 | 14% | 0.136 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -76.5 | -39.6 | -175.8 | -63.8 | -168.6 | -4.5 | 0 | 0 | 112 | R588 P1099 I1102 E1104 Q1109 T1110 | R588-Q1107 VanDerWaalsContact CZ-OE1 3.31Å; P1099-Q1107 PolarHBondContact O-NE2 3.49Å; I1102-Q1107 HydrophobicContact CB-CG 4.47Å; I1102-Q1107 HydrophobicContact CG2-CG 3.62Å; E1104-Q1107 PolarHBondContact O-N 3.06Å; Q1107-Q1109 VanDerWaalsContact C-N 3.33Å; Q1107-Q1109 PolarHBondContact O-N 3.03Å; Q1107-T1110 PolarHBondContact O-N 3.49Å; Q1107-T1110 PolarHBondContact O-OG1 3.11Å |
| 1108 | D | 40 | Very low | 49.7 | Very low | 95 Ų | 95 | 90 Ų | 90 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.5 | -27.3 | -179.5 | -74.2 | -14.7 | 0 | 0 | 0 | 112.1 | R629 T1110 S1111 | R629-D1108 IonicContact NH1-OD2 3.2Å; R629-D1108 PolarHBondContact NH1-OD2 3.25Å; D1108-T1110 PolarHBondContact O-N 3.1Å; D1108-S1111 PolarHBondContact O-OG 3.17Å |
| 1109 | Q | 33.8 | Very low | 47.4 | Very low | 162 Ų | 162 | 92.4 Ų | 92.4 | 76% | 0.757 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13.2 | 179 | -66.4 | -174.7 | 12.9 | 0 | 0 | 114.7 | Q1107 S1111 | Q1107-Q1109 VanDerWaalsContact C-N 3.33Å; Q1107-Q1109 PolarHBondContact O-N 3.03Å; Q1109-S1111 PolarHBondContact O-N 2.91Å |
| 1110 | T | 37 | Very low | 45.2 | Very low | 119 Ų | 119 | 100.2 Ų | 100.2 | 73% | 0.73 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -6.3 | 175.2 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | Q1107 D1108 L1112 | Q1107-T1110 PolarHBondContact O-N 3.49Å; Q1107-T1110 PolarHBondContact O-OG1 3.11Å; D1108-T1110 PolarHBondContact O-N 3.1Å; T1110-L1112 PolarHBondContact O-N 3.23Å |
| 1111 | S | 31.5 | Very low | 43 | Very low | 87 Ų | 87 | 102.9 Ų | 102.9 | 61% | 0.608 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -75.1 | 104.1 | 161.2 | 65.3 | 0 | 0 | 0 | 0 | 108.6 | D1108 Q1109 | D1108-S1111 PolarHBondContact O-OG 3.17Å; Q1109-S1111 PolarHBondContact O-N 2.91Å |
| 1112 | L | 29.8 | Very low | 40.8 | Very low | 131 Ų | 131 | 105.4 Ų | 105.4 | 69% | 0.686 | 63% | 0.625 | S | S | * | * | trans | -44.8 | 129.7 | 176.7 | -82.2 | 154.3 | 0 | 0 | 0 | 110.2 | T1110 N1114 | T1110-L1112 PolarHBondContact O-N 3.23Å; L1112-N1114 PolarHBondContact O-N 2.98Å; L1112-N1114 VanDerWaalsContact O-N 3.16Å | ||
| 1113 | P | 27.8 | Very low | 39 | Very low | 112 Ų | 112 | 113.2 Ų | 113.2 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | trans | -60.5 | 125.1 | 177.2 | 14.3 | -17.4 | 0 | 0 | 0 | 109 | P1115 | P1113-P1115 WeakPolarHBondContact O-CD 3.44Š| ||
| 1114 | N | 28.6 | Very low | 37.5 | Very low | 126 Ų | 126 | 112.2 Ų | 112.2 | 67% | 0.674 | 68% | 0.677 | S | S | * | * | trans | -55 | 122.5 | 172.2 | -142.6 | -4.5 | 0 | 0 | 0 | 107.8 | L1112 S1116 | L1112-N1114 PolarHBondContact O-N 2.98Å; L1112-N1114 VanDerWaalsContact O-N 3.16Å; N1114-S1116 PolarHBondContact O-N 3.45Å | ||
| 1115 | P | 33.1 | Very low | 36.6 | Very low | 101 Ų | 101 | 115.8 Ų | 115.8 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 8.5 | -171.6 | -6.3 | 13.8 | 0 | 0 | 0 | 115.4 | P1113 S1117 | P1113-P1115 WeakPolarHBondContact O-CD 3.44Å; P1115-S1117 PolarHBondContact O-N 2.87Å |
| 1116 | S | 41.4 | Very low | 36 | Very low | 102 Ų | 102 | 115.2 Ų | 115.2 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 6.5 | -173.3 | 52.5 | 0 | 0 | 0 | 0 | 115.6 | N1114 | N1114-S1116 PolarHBondContact O-N 3.45Š|
| 1117 | S | 35.8 | Very low | 35.4 | Very low | 109 Ų | 109 | 116.8 Ų | 116.8 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | trans | -134.7 | 71.9 | 177.9 | 60.9 | 0 | 0 | 0 | 0 | 112 | P1115 | P1115-S1117 PolarHBondContact O-N 2.87Š| ||
| 1118 | S | 33.4 | Very low | 34.6 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -116.2 | 114.3 | 159.6 | 53.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1119 | G | 35.8 | Very low | 34.3 | Very low | 64 Ų | 64 | 124.1 Ų | 124.1 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | -154.7 | 112.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1120 | L | 36.6 | Very low | 34.3 | Very low | 174 Ų | 174 | 121.4 Ų | 121.4 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | trans | 77.7 | 135 | 162.4 | -51.2 | 152.6 | 0 | 0 | 0 | 115.1 | ||||
| 1121 | S | 35.8 | Very low | 34.1 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -170.9 | 135.5 | -10 | 46 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1122 | V | 35.1 | Very low | 34.3 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -70.5 | 130.5 | 178.9 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1123 | T | 38.6 | Very low | 34.7 | Very low | 208 Ų | 208 | 123.8 Ų | 123.8 | 100% | 1.276 | 80% | 0.8 | S | S | * | * | trans | -132.7 | 0 | 138.7 | 42.3 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 1,123 of 1,123 residues in 3669.1 ms
(Link to these results)