| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.6 | Very low | 45.8 | Very low | 237 Ų | 237 | 132.3 Ų | 132.3 | 100% | 1.167 | 64% | 0.637 | S | S | * | * | 0 | 58.2 | 0 | -155.8 | -175.5 | -83.8 | 0 | 0 | 110 | |||||
| 2 | Y | 34.6 | Very low | 47.3 | Very low | 241 Ų | 241 | 124.2 Ų | 124.2 | 95% | 0.945 | 61% | 0.605 | S | S | * | * | trans | -118 | 41.4 | 170.7 | -104.9 | -83.7 | 0 | 0 | 0 | 108.2 | ||||
| 3 | N | 30.1 | Very low | 48.7 | Very low | 147 Ų | 147 | 120.1 Ų | 120.1 | 79% | 0.786 | 59% | 0.592 | S | S | * | * | trans | -70.3 | 143.4 | 179 | -89 | -5.6 | 0 | 0 | 0 | 109.5 | ||||
| 4 | T | 34.5 | Very low | 50 | Low | 125 Ų | 125 | 112.6 Ų | 112.6 | 77% | 0.767 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 73.3 | 73 | 159.3 | 40.8 | 0 | 0 | 0 | 0 | 117.6 | ||
| 5 | F | 44.1 | Very low | 51.2 | Low | 204 Ų | 204 | 109.3 Ų | 109.3 | 90% | 0.895 | 54% | 0.54 | S | S | * | . | trans | -173.9 | 42.8 | 134.6 | -99.4 | -66.6 | 0 | 0 | 0 | 111.3 | K7 | F5-K7 PolarHBondContact O-N 3.11Š| ||
| 6 | L | 47.5 | Very low | 52.5 | Low | 100 Ų | 100 | 102.9 Ų | 102.9 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 118.9 | 169.7 | -75.3 | 160.2 | 0 | 0 | 0 | 107.7 | V110 E230 | L6-V110 HydrophobicContact CB-CG2 4.46Å; L6-V110 HydrophobicContact CD1-CB 3.96Å; L6-V110 HydrophobicContact CD1-CG1 4.2Å; L6-V110 HydrophobicContact CD1-CG2 3.98Å; L6-V110 HydrophobicContact CD2-CG2 4.37Å; L6-V110 HydrophobicContact CG-CG2 4.5Å; L6-E230 VanDerWaalsContact CD2-OE2 3.31Å; L6-E230 WeakPolarHBondContact CD2-OE2 3.29Å |
| 7 | K | 49.5 | Very low | 54 | Low | 163 Ų | 163 | 102.5 Ų | 102.5 | 71% | 0.709 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 145.8 | -173.9 | -75.8 | 176.3 | 179.4 | 170.5 | 0 | 110.2 | F5 | F5-K7 PolarHBondContact O-N 3.11Š|
| 8 | P | 50.8 | Low | 55.4 | Low | 83 Ų | 83 | 107.8 Ų | 107.8 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 157.6 | 168.6 | 24.6 | -33.3 | 0 | 0 | 0 | 110 | F10 | P8-F10 PolarHBondContact O-N 2.88Š|
| 9 | L | 57.2 | Low | 56.8 | Low | 0 Ų | 0 | 110.1 Ų | 110.1 | 0% | 0 | 54% | 0.542 | C | S | . | . | trans | -69.9 | 47.4 | -176.8 | -164.1 | 123.2 | 0 | 0 | 0 | 112.4 | F11 N88 W105 K106 L108 A124 T227 | L9-F11 PolarHBondContact O-N 3.36Å; L9-F11 VanDerWaalsContact O-N 3.08Å; L9-N88 PolarHBondContact O-OD1 2.92Å; L9-W105 WeakPolarHBondContact CB-O 3.33Å; L9-W105 VanDerWaalsContact CD2-C 3.43Å; L9-W105 HydrophobicContact CD2-CB 3.64Å; L9-W105 HydrophobicContact CD2-CE3 4.46Å; L9-W105 HydrophobicContact CD2-CG 4.44Å; L9-W105 WeakPolarHBondContact CD2-O 3.49Å; L9-K106 PolarHBondContact N-O 3.3Å; L9-L108 HydrophobicContact CD1-CB 4.36Å; L9-L108 HydrophobicContact CD1-CD2 4.13Å; L9-A124 HydrophobicContact CD1-CB 4.06Å; L9-T227 HydrophobicContact CD1-CG2 4.09Å | ||
| 10 | F | 58.5 | Low | 58.2 | Low | 115 Ų | 115 | 106.7 Ų | 106.7 | 50% | 0.504 | 53% | 0.528 | S | S | . | . | trans | -77.8 | 98.9 | 178.9 | -164.4 | -99.7 | 0 | 0 | 0 | 109.5 | P8 | P8-F10 PolarHBondContact O-N 2.88Š| ||
| 11 | F | 64 | Low | 59.5 | Low | 40 Ų | 40 | 103.8 Ų | 103.8 | 18% | 0.175 | 51% | 0.512 | C | S | . | . | trans | -75.1 | 129.2 | 168.3 | 173.8 | -101 | 0 | 0 | 0 | 109 | L9 T13 D84 T87 N88 M234 | L9-F11 PolarHBondContact O-N 3.36Å; L9-F11 VanDerWaalsContact O-N 3.08Å; F11-T13 HydrophobicContact CE1-CG2 3.68Å; F11-T13 HydrophobicContact CE2-CG2 3.84Å; F11-T13 HydrophobicContact CZ-CG2 3.25Å; F11-D84 HydrophobicContact CD1-CB 4.05Å; F11-D84 HydrophobicContact CE1-CB 4.31Å; F11-D84 WeakPolarHBondContact CE1-OD1 3.48Å; F11-T87 HydrophobicContact CD1-CG2 4.5Å; F11-N88 WeakPolarHBondContact CB-OD1 3.27Å; F11-N88 PolarHBondContact N-OD1 2.88Å; F11-N88 PolarHBondContact O-ND2 3.5Å; F11-M234 HydrophobicContact CD2-SD 3.84Å; F11-M234 HydrophobicContact CE2-CE 4.37Å; F11-M234 HydrophobicContact CE2-SD 3.77Å | ||
| 12 | S | 64.7 | Low | 62 | Low | 35 Ų | 35 | 98 Ų | 98 | 25% | 0.245 | 49% | 0.485 | C | S | . | . | trans | -147.5 | 118 | 173.2 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | D84 | S12-D84 WeakPolarHBondContact CA-OD2 3.46Š| ||
| 13 | T | 64.5 | Low | 64.6 | Low | 71 Ų | 71 | 90 Ų | 90 | 44% | 0.436 | 46% | 0.462 | S | S | . | . | trans | -99.3 | -5.6 | 171.3 | 68.6 | 0 | 0 | 0 | 0 | 112.4 | F11 D84 | F11-T13 HydrophobicContact CE1-CG2 3.68Å; F11-T13 HydrophobicContact CE2-CG2 3.84Å; F11-T13 HydrophobicContact CZ-CG2 3.25Å; T13-D84 WeakPolarHBondContact CB-OD1 3.32Å; T13-D84 WeakPolarHBondContact CG2-OD1 3.37Å; T13-D84 VanDerWaalsContact N-CG 3.31Å; T13-D84 PolarHBondContact N-OD1 3.5Å; T13-D84 PolarHBondContact N-OD2 2.92Å; T13-D84 PolarHBondContact OG1-OD1 3.42Å; T13-D84 PolarHBondContact OG1-OD2 3.19Å | ||
| 14 | A | 67.5 | Low | 67.2 | Low | 16 Ų | 16 | 87.9 Ų | 87.9 | 13% | 0.132 | 45% | 0.446 | C | S | . | . | trans | -55.9 | 140.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | H81 D84 | A14-H81 WeakPolarHBondContact CB-CE1 3.41Å; A14-H81 WeakPolarHBondContact CB-NE2 3.48Å; A14-D84 PolarHBondContact N-OD2 3.11Å | ||
| 15 | K | 67.6 | Low | 69.6 | Low | 62 Ų | 62 | 82.7 Ų | 82.7 | 27% | 0.27 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -73.4 | -37.7 | 178.6 | -75.6 | 178.5 | -176.6 | 176 | 0 | 111.1 | K24 E73 D77 R80 | K15-K24 PolarHBondContact O-NZ 3.15Å; K15-E73 IonicContact NZ-OE2 3.65Å; K15-E73 PolarHBondContact NZ-OE2 3.18Å; K15-E73 VanDerWaalsContact NZ-OE2 3.14Å; K15-D77 PolarHBondContact N-OD1 3.04Å; K15-R80 VanDerWaalsContact CD-NH1 3.32Å; K15-R80 VanDerWaalsContact CE-NH1 3.31Å |
| 16 | Y | 72.9 | Confident | 71.6 | Confident | 7 Ų | 7 | 76 Ų | 76 | 3% | 0.027 | 39% | 0.388 | C | S | . | . | trans | -119.9 | 134.5 | -170.9 | -47.7 | -76.4 | 0 | 0 | 0 | 110.5 | F21 K24 E28 E73 D77 H81 | Y16-F21 HydrophobicContact CD1-CD2 4.2Å; Y16-F21 AromaticContact CD2-CD2 3.84Å; Y16-F21 HydrophobicContact CD2-CD2 3.84Å; Y16-F21 HydrophobicContact CD2-CE2 4.3Å; Y16-F21 HydrophobicContact CE2-CD2 4.39Å; Y16-F21 HydrophobicContact CE2-CE2 4.49Å; Y16-F21 HydrophobicContact CG-CB 4.44Å; Y16-F21 AromaticContact CG-CD2 3.75Å; Y16-F21 HydrophobicContact CG-CD2 3.75Å; Y16-K24 HydrophobicContact CD1-CB 3.79Å; Y16-K24 HydrophobicContact CD1-CD 4.01Å; Y16-K24 HydrophobicContact CE1-CB 3.68Å; Y16-K24 HydrophobicContact CE1-CD 4.39Å; Y16-E28 PolarHBondContact OH-OE2 3.48Å; Y16-E73 HydrophobicContact CE2-CB 4.42Å; Y16-E73 PolarHBondContact OH-OE2 2.85Å; Y16-D77 WeakPolarHBondContact CB-OD2 3.01Å; Y16-D77 HydrophobicContact CD2-CB 4.1Å; Y16-D77 WeakPolarHBondContact CD2-OD2 3.4Å; Y16-D77 PolarHBondContact N-OD2 2.82Å; Y16-H81 PolarHBondContact O-NE2 2.86Å | ||
| 17 | N | 78.2 | Confident | 73.4 | Confident | 97 Ų | 97 | 75 Ų | 75 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | trans | -88.8 | 158.6 | 157.5 | -65.7 | 2.1 | 0 | 0 | 0 | 108.3 | L19 T20 F21 | N17-L19 PolarHBondContact O-N 3.38Å; N17-T20 PolarHBondContact N-OG1 3.18Å; N17-T20 CarbonylContact O-C 3.56Å; N17-T20 PolarHBondContact O-N 3.32Å; N17-T20 PolarHBondContact O-OG1 2.96Å; N17-F21 PolarHBondContact O-N 3.31Å | ||
| 18 | F | 78 | Confident | 74.7 | Confident | 197 Ų | 197 | 69.1 Ų | 69.1 | 86% | 0.864 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.8 | -45.4 | 177.9 | -175.8 | -100 | 0 | 0 | 0 | 113.6 | ||
| 19 | L | 82.3 | Confident | 76.3 | Confident | 151 Ų | 151 | 65.3 Ų | 65.3 | 79% | 0.791 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -23.5 | 179.2 | -64.8 | 172.6 | 0 | 0 | 0 | 114.6 | N17 | N17-L19 PolarHBondContact O-N 3.38Š|
| 20 | T | 84.3 | Confident | 77.5 | Confident | 43 Ų | 43 | 67.9 Ų | 67.9 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -8.9 | -175.5 | 61.7 | 0 | 0 | 0 | 0 | 113.5 | N17 P23 K24 | N17-T20 PolarHBondContact N-OG1 3.18Å; N17-T20 CarbonylContact O-C 3.56Å; N17-T20 PolarHBondContact O-N 3.32Å; N17-T20 PolarHBondContact O-OG1 2.96Å; T20-P23 WeakPolarHBondContact O-CD 3.43Å; T20-K24 VanDerWaalsContact O-CB 3.28Å; T20-K24 WeakPolarHBondContact O-CB 3.26Å; T20-K24 WeakPolarHBondContact O-CG 3.49Å; T20-K24 PolarHBondContact O-N 2.71Å; T20-K24 VanDerWaalsContact O-N 3.17Å |
| 21 | F | 85.4 | Confident | 78.6 | Confident | 45 Ų | 45 | 70.3 Ų | 70.3 | 20% | 0.197 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -54.7 | -59.6 | 179.3 | 175.8 | -105.1 | 0 | 0 | 0 | 111.6 | Y16 N17 K24 F25 A70 V74 | Y16-F21 HydrophobicContact CD1-CD2 4.2Å; Y16-F21 AromaticContact CD2-CD2 3.84Å; Y16-F21 HydrophobicContact CD2-CD2 3.84Å; Y16-F21 HydrophobicContact CD2-CE2 4.3Å; Y16-F21 HydrophobicContact CE2-CD2 4.39Å; Y16-F21 HydrophobicContact CE2-CE2 4.49Å; Y16-F21 HydrophobicContact CG-CB 4.44Å; Y16-F21 AromaticContact CG-CD2 3.75Å; Y16-F21 HydrophobicContact CG-CD2 3.75Å; N17-F21 PolarHBondContact O-N 3.31Å; F21-K24 PolarHBondContact O-N 3.48Å; F21-F25 HydrophobicContact CE2-CB 4.44Å; F21-F25 HydrophobicContact CZ-CB 4.45Å; F21-F25 HydrophobicContact CZ-CD2 4.45Å; F21-F25 HydrophobicContact CZ-CG 4.33Å; F21-F25 WeakPolarHBondContact O-CB 3.38Å; F21-F25 PolarHBondContact O-N 2.95Å; F21-A70 HydrophobicContact CZ-CB 4.46Å; F21-V74 HydrophobicContact CE1-CG2 4.04Å; F21-V74 HydrophobicContact CE2-CG2 3.65Å; F21-V74 HydrophobicContact CZ-CG2 3.38Å |
| 22 | I | 86.8 | Confident | 79.1 | Confident | 116 Ų | 116 | 70.3 Ų | 70.3 | 60% | 0.595 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.1 | -56.1 | -176.2 | -58.8 | 175.4 | 0 | 0 | 0 | 112.7 | K24 F25 V26 | I22-K24 PolarHBondContact O-N 3.49Å; I22-F25 PolarHBondContact O-N 3.15Å; I22-V26 HydrophobicContact CG2-CG2 4.29Å; I22-V26 WeakPolarHBondContact O-CB 3.43Å; I22-V26 VanDerWaalsContact O-CG2 3.26Å; I22-V26 WeakPolarHBondContact O-CG2 3.42Å; I22-V26 PolarHBondContact O-N 3.22Å |
| 23 | P | 88.3 | Confident | 79.8 | Confident | 72 Ų | 72 | 75.7 Ų | 75.7 | 47% | 0.468 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | -175.5 | 23.8 | -33.9 | 0 | 0 | 0 | 112.7 | T20 T27 | T20-P23 WeakPolarHBondContact O-CD 3.43Å; P23-T27 WeakPolarHBondContact O-CB 3.42Å; P23-T27 PolarHBondContact O-N 3.34Å; P23-T27 VanDerWaalsContact O-N 3.1Å; P23-T27 PolarHBondContact O-OG1 2.87Å |
| 24 | K | 83.6 | Confident | 80.6 | Confident | 104 Ų | 104 | 72.4 Ų | 72.4 | 45% | 0.452 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.7 | -45 | 177 | -70.1 | -176 | -179.9 | 179.2 | 0 | 111.4 | K15 Y16 T20 F21 I22 T27 E28 | K15-K24 PolarHBondContact O-NZ 3.15Å; Y16-K24 HydrophobicContact CD1-CB 3.79Å; Y16-K24 HydrophobicContact CD1-CD 4.01Å; Y16-K24 HydrophobicContact CE1-CB 3.68Å; Y16-K24 HydrophobicContact CE1-CD 4.39Å; T20-K24 VanDerWaalsContact O-CB 3.28Å; T20-K24 WeakPolarHBondContact O-CB 3.26Å; T20-K24 WeakPolarHBondContact O-CG 3.49Å; T20-K24 PolarHBondContact O-N 2.71Å; T20-K24 VanDerWaalsContact O-N 3.17Å; F21-K24 PolarHBondContact O-N 3.48Å; I22-K24 PolarHBondContact O-N 3.49Å; K24-T27 PolarHBondContact O-N 3.34Å; K24-E28 VanDerWaalsContact O-CB 3.29Å; K24-E28 WeakPolarHBondContact O-CB 3.14Å; K24-E28 PolarHBondContact O-N 3.29Å |
| 25 | F | 86.2 | Confident | 81.3 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 178.6 | 173.7 | -100.7 | 0 | 0 | 0 | 111.8 | F21 I22 T27 E28 Q29 L66 A70 E73 | F21-F25 HydrophobicContact CE2-CB 4.44Å; F21-F25 HydrophobicContact CZ-CB 4.45Å; F21-F25 HydrophobicContact CZ-CD2 4.45Å; F21-F25 HydrophobicContact CZ-CG 4.33Å; F21-F25 WeakPolarHBondContact O-CB 3.38Å; F21-F25 PolarHBondContact O-N 2.95Å; I22-F25 PolarHBondContact O-N 3.15Å; F25-T27 PolarHBondContact O-N 2.96Å; F25-E28 WeakPolarHBondContact O-CB 3.37Å; F25-E28 PolarHBondContact O-N 2.89Å; F25-E28 VanDerWaalsContact O-N 3.15Å; F25-Q29 HydrophobicContact CD1-CG 4.42Å; F25-Q29 HydrophobicContact CD2-CG 4.23Å; F25-Q29 HydrophobicContact CE1-CG 3.92Å; F25-Q29 HydrophobicContact CE2-CG 3.71Å; F25-Q29 HydrophobicContact CZ-CG 3.53Å; F25-Q29 WeakPolarHBondContact O-CG 3.27Å; F25-Q29 PolarHBondContact O-N 3.24Å; F25-L66 WeakPolarHBondContact CZ-O 3.33Å; F25-A70 HydrophobicContact CE1-CB 3.79Å; F25-A70 HydrophobicContact CE2-CB 4.04Å; F25-A70 VanDerWaalsContact CZ-CA 3.44Å; F25-A70 HydrophobicContact CZ-CB 3.5Å; F25-E73 HydrophobicContact CD2-CB 4.45Å; F25-E73 HydrophobicContact CD2-CG 4.25Å; F25-E73 HydrophobicContact CE2-CG 4.18Å |
| 26 | V | 86 | Confident | 82.3 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 38% | 0.376 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 177.5 | 171 | 0 | 0 | 0 | 0 | 110.3 | I22 E28 Q29 F30 | I22-V26 HydrophobicContact CG2-CG2 4.29Å; I22-V26 WeakPolarHBondContact O-CB 3.43Å; I22-V26 VanDerWaalsContact O-CG2 3.26Å; I22-V26 WeakPolarHBondContact O-CG2 3.42Å; I22-V26 PolarHBondContact O-N 3.22Å; V26-E28 PolarHBondContact O-N 3.45Å; V26-Q29 PolarHBondContact O-N 3.5Å; V26-F30 HydrophobicContact CG1-CD2 3.64Å; V26-F30 HydrophobicContact CG1-CE2 3.89Å; V26-F30 VanDerWaalsContact O-CD2 3.25Å; V26-F30 WeakPolarHBondContact O-CD2 3.3Å; V26-F30 PolarHBondContact O-N 3.06Å |
| 27 | T | 84.4 | Confident | 83 | Confident | 79 Ų | 79 | 73 Ų | 73 | 49% | 0.485 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.1 | -36.2 | 176.5 | -57 | 0 | 0 | 0 | 0 | 111.6 | P23 K24 F25 R31 | P23-T27 WeakPolarHBondContact O-CB 3.42Å; P23-T27 PolarHBondContact O-N 3.34Å; P23-T27 VanDerWaalsContact O-N 3.1Å; P23-T27 PolarHBondContact O-OG1 2.87Å; K24-T27 PolarHBondContact O-N 3.34Å; F25-T27 PolarHBondContact O-N 2.96Å; T27-R31 VanDerWaalsContact O-CG 3.24Å; T27-R31 WeakPolarHBondContact O-CG 3.4Å; T27-R31 PolarHBondContact O-N 3.12Å |
| 28 | E | 78.2 | Confident | 83.4 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 19% | 0.187 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.6 | -45.2 | 179.5 | -174.4 | 168.9 | -175 | 0 | 0 | 112.7 | Y16 K24 F25 V26 R31 L242 | Y16-E28 PolarHBondContact OH-OE2 3.48Å; K24-E28 VanDerWaalsContact O-CB 3.29Å; K24-E28 WeakPolarHBondContact O-CB 3.14Å; K24-E28 PolarHBondContact O-N 3.29Å; F25-E28 WeakPolarHBondContact O-CB 3.37Å; F25-E28 PolarHBondContact O-N 2.89Å; F25-E28 VanDerWaalsContact O-N 3.15Å; V26-E28 PolarHBondContact O-N 3.45Å; E28-R31 WeakPolarHBondContact O-CB 3.44Å; E28-R31 PolarHBondContact O-N 3.08Å; E28-L242 WeakPolarHBondContact OE1-CD1 3.44Å |
| 29 | Q | 83.2 | Confident | 83.9 | Confident | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67 | -39.7 | 177.8 | -67.9 | -57.3 | -29.2 | 0 | 0 | 112 | F25 V26 R31 R32 N35 L66 | F25-Q29 HydrophobicContact CD1-CG 4.42Å; F25-Q29 HydrophobicContact CD2-CG 4.23Å; F25-Q29 HydrophobicContact CE1-CG 3.92Å; F25-Q29 HydrophobicContact CE2-CG 3.71Å; F25-Q29 HydrophobicContact CZ-CG 3.53Å; F25-Q29 WeakPolarHBondContact O-CG 3.27Å; F25-Q29 PolarHBondContact O-N 3.24Å; V26-Q29 PolarHBondContact O-N 3.5Å; Q29-R31 VanDerWaalsContact C-N 3.28Å; Q29-R31 PolarHBondContact O-N 3.04Å; Q29-R32 WeakPolarHBondContact O-CB 3.42Å; Q29-R32 PolarHBondContact O-N 2.9Å; Q29-N35 PolarHBondContact O-ND2 2.51Å; Q29-L66 HydrophobicContact CB-CD2 3.94Å; Q29-L66 HydrophobicContact CG-CD2 4.12Å |
| 30 | F | 83.9 | Confident | 84.3 | Confident | 55 Ų | 55 | 58 Ų | 58 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -1.6 | 178.3 | -72.2 | -69 | 0 | 0 | 0 | 114.2 | V26 R32 N35 I36 L39 L66 | V26-F30 HydrophobicContact CG1-CD2 3.64Å; V26-F30 HydrophobicContact CG1-CE2 3.89Å; V26-F30 VanDerWaalsContact O-CD2 3.25Å; V26-F30 WeakPolarHBondContact O-CD2 3.3Å; V26-F30 PolarHBondContact O-N 3.06Å; F30-R32 PolarHBondContact O-N 3.3Å; F30-N35 HydrophobicContact CD1-CB 4.12Å; F30-N35 HydrophobicContact CE1-CB 4.26Å; F30-I36 HydrophobicContact CD1-CG1 4.24Å; F30-I36 WeakPolarHBondContact O-CD1 3.49Å; F30-I36 WeakPolarHBondContact O-CG1 3.41Å; F30-L39 HydrophobicContact CD1-CD2 4.27Å; F30-L39 HydrophobicContact CE1-CB 3.93Å; F30-L39 HydrophobicContact CE1-CD2 3.61Å; F30-L39 HydrophobicContact CE1-CG 4.27Å; F30-L39 HydrophobicContact CZ-CD2 3.94Å; F30-L66 HydrophobicContact CZ-CD1 4.33Å |
| 31 | R | 79.7 | Confident | 84.6 | Confident | 166 Ų | 166 | 56 Ų | 56 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -11.4 | 162.4 | -82.2 | 167.6 | 175 | -156 | -2.1 | 112.8 | T27 E28 Q29 | T27-R31 VanDerWaalsContact O-CG 3.24Å; T27-R31 WeakPolarHBondContact O-CG 3.4Å; T27-R31 PolarHBondContact O-N 3.12Å; E28-R31 WeakPolarHBondContact O-CB 3.44Å; E28-R31 PolarHBondContact O-N 3.08Å; Q29-R31 VanDerWaalsContact C-N 3.28Å; Q29-R31 PolarHBondContact O-N 3.04Å |
| 32 | R | 75.6 | Confident | 84.7 | Confident | 40 Ų | 40 | 54 Ų | 54 | 15% | 0.151 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -90.6 | 122.5 | 175.6 | -59.1 | 179.2 | 179 | 177.5 | 0.8 | 109.8 | Q29 F30 A34 N35 I36 E322 | Q29-R32 WeakPolarHBondContact O-CB 3.42Å; Q29-R32 PolarHBondContact O-N 2.9Å; F30-R32 PolarHBondContact O-N 3.3Å; R32-A34 VanDerWaalsContact C-N 3.26Å; R32-A34 PolarHBondContact O-N 3.37Å; R32-N35 PolarHBondContact O-N 3.28Å; R32-N35 VanDerWaalsContact O-N 3.11Å; R32-I36 PolarHBondContact O-N 3.49Å; R32-E322 IonicContact CZ-OE1 2.81Å; R32-E322 IonicContact NH1-OE1 2.7Å; R32-E322 PolarHBondContact NH1-OE1 3.13Å; R32-E322 IonicContact NH2-OE1 3.13Å; R32-E322 PolarHBondContact NH2-OE1 3.04Å |
| 33 | Y | 79.5 | Confident | 84.9 | Confident | 147 Ų | 147 | 53.9 Ų | 53.9 | 58% | 0.576 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -57.4 | -35.2 | -176 | -64.1 | -63.9 | 0 | 0 | 0 | 113.9 | N35 I36 F37 | Y33-N35 PolarHBondContact O-N 3.44Å; Y33-I36 PolarHBondContact O-N 3.26Å; Y33-F37 PolarHBondContact O-N 2.95Å |
| 34 | A | 80.1 | Confident | 85 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R32 I36 F37 F38 Q318 | R32-A34 VanDerWaalsContact C-N 3.26Å; R32-A34 PolarHBondContact O-N 3.37Å; A34-I36 VanDerWaalsContact C-N 3.34Å; A34-F37 WeakPolarHBondContact O-CB 3.33Å; A34-F37 PolarHBondContact O-N 2.89Å; A34-F38 HydrophobicContact CB-CD2 4.4Å; A34-F38 HydrophobicContact CB-CE2 3.98Å; A34-F38 WeakPolarHBondContact O-CD2 3.47Å; A34-F38 WeakPolarHBondContact O-CG 3.21Å; A34-F38 PolarHBondContact O-N 2.8Å; A34-Q318 VanDerWaalsContact CB-NE2 3.29Å |
| 35 | N | 83.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -39.1 | 177.1 | -74.5 | -20 | 0 | 0 | 0 | 111.3 | Q29 F30 R32 Y33 L39 Q318 | Q29-N35 PolarHBondContact O-ND2 2.51Å; F30-N35 HydrophobicContact CD1-CB 4.12Å; F30-N35 HydrophobicContact CE1-CB 4.26Å; R32-N35 PolarHBondContact O-N 3.28Å; R32-N35 VanDerWaalsContact O-N 3.11Å; Y33-N35 PolarHBondContact O-N 3.44Å; N35-L39 WeakPolarHBondContact O-CB 3.4Å; N35-L39 PolarHBondContact O-N 2.88Å; N35-Q318 PolarHBondContact OD1-OE1 3.02Å |
| 36 | I | 87.4 | Confident | 85.6 | Confident | 74 Ų | 74 | 50.2 Ų | 50.2 | 38% | 0.379 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 171.7 | -62.7 | 168.2 | 0 | 0 | 0 | 109.9 | F30 R32 Y33 A34 F38 L39 V40 | F30-I36 HydrophobicContact CD1-CG1 4.24Å; F30-I36 WeakPolarHBondContact O-CD1 3.49Å; F30-I36 WeakPolarHBondContact O-CG1 3.41Å; R32-I36 PolarHBondContact O-N 3.49Å; Y33-I36 PolarHBondContact O-N 3.26Å; A34-I36 VanDerWaalsContact C-N 3.34Å; I36-F38 PolarHBondContact O-N 3.1Å; I36-L39 PolarHBondContact O-N 3.27Å; I36-V40 HydrophobicContact CG2-CG2 4.42Å; I36-V40 WeakPolarHBondContact O-CG2 3.4Å; I36-V40 PolarHBondContact O-N 2.92Å |
| 37 | F | 87.6 | Confident | 85.7 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 10% | 0.096 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57 | -49.5 | 179.2 | 170.4 | -104.3 | 0 | 0 | 0 | 112 | Y33 A34 L39 V40 I41 F259 L262 F306 H310 V313 | Y33-F37 PolarHBondContact O-N 2.95Å; A34-F37 WeakPolarHBondContact O-CB 3.33Å; A34-F37 PolarHBondContact O-N 2.89Å; F37-L39 VanDerWaalsContact C-N 3.33Å; F37-L39 PolarHBondContact O-N 2.85Å; F37-V40 PolarHBondContact O-N 2.98Å; F37-I41 HydrophobicContact CD2-CG1 4.45Å; F37-I41 HydrophobicContact CE1-CG1 4.22Å; F37-I41 HydrophobicContact CE2-CD1 4.17Å; F37-I41 HydrophobicContact CE2-CG1 4.04Å; F37-I41 HydrophobicContact CZ-CD1 4.18Å; F37-I41 HydrophobicContact CZ-CG1 3.91Å; F37-I41 WeakPolarHBondContact O-CG1 3.23Å; F37-I41 PolarHBondContact O-N 3.49Å; F37-F259 AromaticContact CD2-CD2 3.86Å; F37-F259 HydrophobicContact CD2-CD2 3.86Å; F37-F259 AromaticContact CD2-CE2 3.71Å; F37-F259 HydrophobicContact CD2-CE2 3.71Å; F37-F259 AromaticContact CE2-CD2 3.78Å; F37-F259 HydrophobicContact CE2-CD2 3.78Å; F37-F259 AromaticContact CE2-CE2 3.69Å; F37-F259 HydrophobicContact CE2-CE2 3.69Å; F37-L262 HydrophobicContact CE2-CD2 3.7Å; F37-L262 HydrophobicContact CZ-CD2 3.57Å; F37-F306 HydrophobicContact CE2-CE1 4.49Å; F37-F306 AromaticContact CE2-CZ 3.87Å; F37-F306 HydrophobicContact CE2-CZ 3.87Å; F37-H310 HydrophobicContact CZ-CB 4.04Å; F37-V313 HydrophobicContact CD1-CB 4.41Å; F37-V313 HydrophobicContact CD1-CG1 4.48Å; F37-V313 HydrophobicContact CE1-CB 3.89Å; F37-V313 HydrophobicContact CE1-CG1 4.43Å; F37-V313 HydrophobicContact CE1-CG2 4.06Å; F37-V313 HydrophobicContact CZ-CG2 4.34Å |
| 38 | F | 87.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.6 | -31.2 | 179.4 | -63.2 | -50.2 | 0 | 0 | 0 | 113.3 | A34 I36 I41 A42 T58 L62 V313 I315 | A34-F38 HydrophobicContact CB-CD2 4.4Å; A34-F38 HydrophobicContact CB-CE2 3.98Å; A34-F38 WeakPolarHBondContact O-CD2 3.47Å; A34-F38 WeakPolarHBondContact O-CG 3.21Å; A34-F38 PolarHBondContact O-N 2.8Å; I36-F38 PolarHBondContact O-N 3.1Å; F38-I41 PolarHBondContact O-N 2.79Å; F38-A42 VanDerWaalsContact O-CB 3.29Å; F38-A42 WeakPolarHBondContact O-CB 3.28Å; F38-A42 PolarHBondContact O-N 2.91Å; F38-T58 HydrophobicContact CB-CG2 4.33Å; F38-T58 HydrophobicContact CD1-CG2 4.43Å; F38-L62 HydrophobicContact CB-CD1 4.05Å; F38-L62 HydrophobicContact CB-CD2 4.39Å; F38-V313 HydrophobicContact CE1-CB 4.42Å; F38-V313 HydrophobicContact CE1-CG1 4.45Å; F38-V313 HydrophobicContact CZ-CB 4.26Å; F38-V313 HydrophobicContact CZ-CG1 3.86Å; F38-V313 WeakPolarHBondContact CZ-O 3.29Å; F38-I315 HydrophobicContact CD1-CD1 3.99Å; F38-I315 HydrophobicContact CD1-CG1 3.41Å; F38-I315 VanDerWaalsContact CD1-CG1 3.41Å; F38-I315 HydrophobicContact CD2-CG1 4.13Å; F38-I315 HydrophobicContact CE1-CB 4.2Å; F38-I315 HydrophobicContact CE1-CD1 3.95Å; F38-I315 HydrophobicContact CE1-CG1 3.06Å; F38-I315 HydrophobicContact CE2-CB 4.2Å; F38-I315 HydrophobicContact CE2-CG1 3.83Å; F38-I315 HydrophobicContact CG-CG1 3.95Å; F38-I315 VanDerWaalsContact CZ-CA 3.5Å; F38-I315 HydrophobicContact CZ-CB 3.96Å; F38-I315 HydrophobicContact CZ-CG1 3.29Å |
| 39 | L | 89.2 | Confident | 85.6 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 33% | 0.33 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 171.3 | -179.9 | 67 | 0 | 0 | 0 | 111.1 | F30 N35 I36 F37 I41 A42 L43 L62 | F30-L39 HydrophobicContact CD1-CD2 4.27Å; F30-L39 HydrophobicContact CE1-CB 3.93Å; F30-L39 HydrophobicContact CE1-CD2 3.61Å; F30-L39 HydrophobicContact CE1-CG 4.27Å; F30-L39 HydrophobicContact CZ-CD2 3.94Å; N35-L39 WeakPolarHBondContact O-CB 3.4Å; N35-L39 PolarHBondContact O-N 2.88Å; I36-L39 PolarHBondContact O-N 3.27Å; F37-L39 VanDerWaalsContact C-N 3.33Å; F37-L39 PolarHBondContact O-N 2.85Å; L39-I41 VanDerWaalsContact C-N 3.34Å; L39-I41 PolarHBondContact O-N 2.96Å; L39-A42 PolarHBondContact O-N 2.61Å; L39-L43 HydrophobicContact CG-CD1 4.35Å; L39-L43 WeakPolarHBondContact O-CG 3.46Å; L39-L43 PolarHBondContact O-N 3.5Å; L39-L62 HydrophobicContact CB-CD2 4.38Å |
| 40 | V | 90.4 | Very high | 85.6 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | I36 F37 L43 L44 | I36-V40 HydrophobicContact CG2-CG2 4.42Å; I36-V40 WeakPolarHBondContact O-CG2 3.4Å; I36-V40 PolarHBondContact O-N 2.92Å; F37-V40 PolarHBondContact O-N 2.98Å; V40-L43 PolarHBondContact O-N 2.83Å; V40-L44 HydrophobicContact CG1-CD1 4.03Å; V40-L44 HydrophobicContact CG1-CG 4.43Å; V40-L44 WeakPolarHBondContact O-CG 3.3Å; V40-L44 PolarHBondContact O-N 3.27Å |
| 41 | I | 89.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 175.6 | -65 | -67 | 0 | 0 | 0 | 111.6 | F37 F38 L39 L43 L44 Q45 T58 F306 H310 | F37-I41 HydrophobicContact CD2-CG1 4.45Å; F37-I41 HydrophobicContact CE1-CG1 4.22Å; F37-I41 HydrophobicContact CE2-CD1 4.17Å; F37-I41 HydrophobicContact CE2-CG1 4.04Å; F37-I41 HydrophobicContact CZ-CD1 4.18Å; F37-I41 HydrophobicContact CZ-CG1 3.91Å; F37-I41 WeakPolarHBondContact O-CG1 3.23Å; F37-I41 PolarHBondContact O-N 3.49Å; F38-I41 PolarHBondContact O-N 2.79Å; L39-I41 VanDerWaalsContact C-N 3.34Å; L39-I41 PolarHBondContact O-N 2.96Å; I41-L43 PolarHBondContact O-N 2.92Å; I41-L44 PolarHBondContact O-N 2.85Å; I41-Q45 HydrophobicContact CG2-CG 4.23Å; I41-Q45 WeakPolarHBondContact O-CB 3.35Å; I41-Q45 WeakPolarHBondContact O-CG 3.35Å; I41-Q45 PolarHBondContact O-N 3.05Å; I41-T58 HydrophobicContact CB-CG2 4.43Å; I41-T58 HydrophobicContact CG2-CG2 4.07Å; I41-F306 HydrophobicContact CD1-CD1 3.52Å; I41-F306 HydrophobicContact CD1-CE1 3.18Å; I41-F306 HydrophobicContact CD1-CZ 4Å; I41-F306 HydrophobicContact CG1-CE1 4.36Å; I41-H310 HydrophobicContact CD1-CB 3.56Å; I41-H310 HydrophobicContact CG1-CB 3.93Å; I41-H310 HydrophobicContact CG2-CB 4.21Å |
| 42 | A | 88.5 | Confident | 85.4 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.9 | -36.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F38 L39 Q46 L59 | F38-A42 VanDerWaalsContact O-CB 3.29Å; F38-A42 WeakPolarHBondContact O-CB 3.28Å; F38-A42 PolarHBondContact O-N 2.91Å; L39-A42 PolarHBondContact O-N 2.61Å; A42-Q46 WeakPolarHBondContact O-CG 3.48Å; A42-Q46 PolarHBondContact O-NE2 3.05Å; A42-L59 HydrophobicContact CB-CB 4.35Å; A42-L59 HydrophobicContact CB-CD1 4.27Å |
| 43 | L | 91.2 | Very high | 85.4 | Confident | 113 Ų | 113 | 43.2 Ų | 43.2 | 59% | 0.592 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -68.6 | -45.9 | 173.2 | -68.4 | 172.4 | 0 | 0 | 0 | 111.9 | L39 V40 I41 Q45 Q46 | L39-L43 HydrophobicContact CG-CD1 4.35Å; L39-L43 WeakPolarHBondContact O-CG 3.46Å; L39-L43 PolarHBondContact O-N 3.5Å; V40-L43 PolarHBondContact O-N 2.83Å; I41-L43 PolarHBondContact O-N 2.92Å; L43-Q45 VanDerWaalsContact C-N 3.29Å; L43-Q45 PolarHBondContact O-N 3.14Å; L43-Q46 WeakPolarHBondContact O-CB 3.48Å; L43-Q46 PolarHBondContact O-N 3.24Å; L43-Q46 VanDerWaalsContact O-N 3.11Å |
| 44 | L | 90.7 | Very high | 85.4 | Confident | 43 Ų | 43 | 37.2 Ų | 37.2 | 23% | 0.225 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -35.1 | 177.1 | -70.9 | 174.3 | 0 | 0 | 0 | 112.4 | V40 I41 Q46 I47 I303 F306 I307 | V40-L44 HydrophobicContact CG1-CD1 4.03Å; V40-L44 HydrophobicContact CG1-CG 4.43Å; V40-L44 WeakPolarHBondContact O-CG 3.3Å; V40-L44 PolarHBondContact O-N 3.27Å; I41-L44 PolarHBondContact O-N 2.85Å; L44-Q46 PolarHBondContact O-N 3.31Å; L44-I47 HydrophobicContact CD2-CD1 4.08Å; L44-I47 WeakPolarHBondContact O-CB 3.33Å; L44-I47 WeakPolarHBondContact O-CG1 3.4Å; L44-I47 PolarHBondContact O-N 3.18Å; L44-I303 HydrophobicContact CB-CG2 4.34Å; L44-I303 HydrophobicContact CD2-CG2 4.34Å; L44-F306 HydrophobicContact CD1-CD1 3.82Å; L44-F306 HydrophobicContact CD1-CE1 3.9Å; L44-I307 HydrophobicContact CB-CD1 4.39Å |
| 45 | Q | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -15 | 176.3 | -78.7 | -177 | -21.6 | 0 | 0 | 114.1 | I41 L43 I47 T53 T57 T58 I307 H310 | I41-Q45 HydrophobicContact CG2-CG 4.23Å; I41-Q45 WeakPolarHBondContact O-CB 3.35Å; I41-Q45 WeakPolarHBondContact O-CG 3.35Å; I41-Q45 PolarHBondContact O-N 3.05Å; L43-Q45 VanDerWaalsContact C-N 3.29Å; L43-Q45 PolarHBondContact O-N 3.14Å; Q45-I47 VanDerWaalsContact C-N 3.29Å; Q45-T53 PolarHBondContact NE2-OG1 3.07Å; Q45-T57 PolarHBondContact NE2-OG1 2.98Å; Q45-T58 PolarHBondContact NE2-OG1 3.4Å; Q45-T58 PolarHBondContact OE1-OG1 3.11Å; Q45-I307 HydrophobicContact CG-CD1 4.06Å; Q45-I307 HydrophobicContact CG-CG1 4.27Å; Q45-I307 HydrophobicContact CG-CG2 3.84Å; Q45-H310 PolarHBondContact NE2-CE1 3.46Å |
| 46 | Q | 91 | Very high | 85.6 | Confident | 72 Ų | 72 | 49.2 Ų | 49.2 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.1 | 175 | -57.5 | -42.1 | -53.4 | 0 | 0 | 113.1 | A42 L43 L44 R55 | A42-Q46 WeakPolarHBondContact O-CG 3.48Å; A42-Q46 PolarHBondContact O-NE2 3.05Å; L43-Q46 WeakPolarHBondContact O-CB 3.48Å; L43-Q46 PolarHBondContact O-N 3.24Å; L43-Q46 VanDerWaalsContact O-N 3.11Å; L44-Q46 PolarHBondContact O-N 3.31Å; Q46-R55 PolarHBondContact NE2-O 3.09Å |
| 47 | I | 87.8 | Confident | 85.2 | Confident | 62 Ų | 62 | 47.1 Ų | 47.1 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -67 | 121.9 | 179.2 | -57.2 | 173.4 | 0 | 0 | 0 | 109 | L44 Q45 V50 I303 | L44-I47 HydrophobicContact CD2-CD1 4.08Å; L44-I47 WeakPolarHBondContact O-CB 3.33Å; L44-I47 WeakPolarHBondContact O-CG1 3.4Å; L44-I47 PolarHBondContact O-N 3.18Å; Q45-I47 VanDerWaalsContact C-N 3.29Å; I47-V50 HydrophobicContact CB-CB 4.43Å; I47-V50 HydrophobicContact CB-CG2 4.33Å; I47-V50 HydrophobicContact CG2-CB 4.31Å; I47-V50 HydrophobicContact CG2-CG2 3.68Å; I47-I303 HydrophobicContact CD1-CD1 4.23Å |
| 48 | P | 82.6 | Confident | 85 | Confident | 94 Ų | 94 | 46.1 Ų | 46.1 | 61% | 0.61 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 138.9 | -178.1 | 27.2 | -34.2 | 0 | 0 | 0 | 111.2 | V50 | P48-V50 VanDerWaalsContact C-N 3.31Å; P48-V50 PolarHBondContact O-N 3.37Å |
| 49 | G | 78.2 | Confident | 84.9 | Confident | 88 Ų | 88 | 48.8 Ų | 48.8 | 91% | 0.907 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -8.2 | 176 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 50 | V | 83.3 | Confident | 84.6 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -30.2 | -172.4 | -177.6 | 0 | 0 | 0 | 0 | 113.6 | I47 P48 P52 N300 I303 T304 I307 | I47-V50 HydrophobicContact CB-CB 4.43Å; I47-V50 HydrophobicContact CB-CG2 4.33Å; I47-V50 HydrophobicContact CG2-CB 4.31Å; I47-V50 HydrophobicContact CG2-CG2 3.68Å; P48-V50 VanDerWaalsContact C-N 3.31Å; P48-V50 PolarHBondContact O-N 3.37Å; V50-P52 VanDerWaalsContact O-CD 3.23Å; V50-P52 WeakPolarHBondContact O-CD 3.43Å; V50-N300 HydrophobicContact CG2-CB 4.33Å; V50-N300 WeakPolarHBondContact CG2-OD1 3.49Å; V50-I303 HydrophobicContact CG1-CB 3.59Å; V50-I303 HydrophobicContact CG1-CG2 3.4Å; V50-T304 PolarHBondContact O-OG1 2.82Å; V50-T304 VanDerWaalsContact O-OG1 3.1Å; V50-I307 HydrophobicContact CG1-CD1 4.31Å |
| 51 | S | 83.7 | Confident | 84 | Confident | 25 Ų | 25 | 47.4 Ų | 47.4 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | trans | -80.2 | 116.5 | -175.1 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | G54 | S51-G54 PolarHBondContact OG-N 2.86Å; S51-G54 VanDerWaalsContact OG-N 3.12Å; S51-G54 PolarHBondContact OG-O 2.85Å | ||
| 52 | P | 75.6 | Confident | 83.7 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 13% | 0.13 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -77 | -28.1 | 176.8 | 30 | -33.3 | 0 | 0 | 0 | 112.7 | V50 T304 I307 I852 | V50-P52 VanDerWaalsContact O-CD 3.23Å; V50-P52 WeakPolarHBondContact O-CD 3.43Å; P52-T304 HydrophobicContact CG-CG2 4.25Å; P52-I307 HydrophobicContact CG-CG2 4.33Å; P52-I852 HydrophobicContact CB-CG2 4.01Å; P52-I852 WeakPolarHBondContact O-CD1 3.48Å |
| 53 | T | 76.5 | Confident | 83.6 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -90.3 | -26.1 | -175 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | Q45 T57 R856 I859 | Q45-T53 PolarHBondContact NE2-OG1 3.07Å; T53-T57 WeakPolarHBondContact O-CG2 3.48Å; T53-T57 PolarHBondContact OG1-OG1 3.14Å; T53-T57 VanDerWaalsContact OG1-OG1 3.07Å; T53-R856 WeakPolarHBondContact O-CB 3.17Å; T53-R856 WeakPolarHBondContact O-CG 3.25Å; T53-I859 HydrophobicContact CG2-CD1 4.38Å |
| 54 | G | 79.8 | Confident | 83.2 | Confident | 20 Ų | 20 | 49.8 Ų | 49.8 | 21% | 0.206 | 29% | 0.29 | C | S | . | . | trans | 115.2 | 155.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S51 F56 T57 | S51-G54 PolarHBondContact OG-N 2.86Å; S51-G54 VanDerWaalsContact OG-N 3.12Å; S51-G54 PolarHBondContact OG-O 2.85Å; G54-F56 PolarHBondContact O-N 3.46Å; G54-T57 PolarHBondContact O-OG1 3.32Å | ||
| 55 | R | 84.6 | Confident | 82.6 | Confident | 129 Ų | 129 | 48.3 Ų | 48.3 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -30.5 | -169.8 | -64.1 | -173.7 | 179.6 | 167.2 | 1.4 | 115 | Q46 | Q46-R55 PolarHBondContact NE2-O 3.09Š|
| 56 | F | 83.1 | Confident | 82.4 | Confident | 127 Ų | 127 | 50 Ų | 50 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -0.6 | -172.9 | -61.7 | -65.4 | 0 | 0 | 0 | 113.7 | G54 T58 L59 V60 | G54-F56 PolarHBondContact O-N 3.46Å; F56-T58 PolarHBondContact O-N 3.15Å; F56-L59 HydrophobicContact CD1-CD2 4.32Å; F56-V60 HydrophobicContact CB-CG2 4.06Å; F56-V60 WeakPolarHBondContact O-CB 3.32Å; F56-V60 WeakPolarHBondContact O-CG2 3.24Å; F56-V60 PolarHBondContact O-N 3.11Å |
| 57 | T | 79.3 | Confident | 82.2 | Confident | 29 Ų | 29 | 50.3 Ų | 50.3 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -35.2 | -171.7 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | Q45 T53 G54 P61 | Q45-T57 PolarHBondContact NE2-OG1 2.98Å; T53-T57 WeakPolarHBondContact O-CG2 3.48Å; T53-T57 PolarHBondContact OG1-OG1 3.14Å; T53-T57 VanDerWaalsContact OG1-OG1 3.07Å; G54-T57 PolarHBondContact O-OG1 3.32Å; T57-P61 WeakPolarHBondContact O-CD 3.47Å; T57-P61 VanDerWaalsContact O-CG 3.25Å; T57-P61 WeakPolarHBondContact O-CG 3.49Å |
| 58 | T | 82.2 | Confident | 82 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -36.4 | 176.2 | -47.2 | 0 | 0 | 0 | 0 | 112.5 | F38 I41 Q45 F56 P61 L62 H310 I315 | F38-T58 HydrophobicContact CB-CG2 4.33Å; F38-T58 HydrophobicContact CD1-CG2 4.43Å; I41-T58 HydrophobicContact CB-CG2 4.43Å; I41-T58 HydrophobicContact CG2-CG2 4.07Å; Q45-T58 PolarHBondContact NE2-OG1 3.4Å; Q45-T58 PolarHBondContact OE1-OG1 3.11Å; F56-T58 PolarHBondContact O-N 3.15Å; T58-P61 WeakPolarHBondContact O-CD 3.5Å; T58-L62 WeakPolarHBondContact O-CB 3.41Å; T58-L62 PolarHBondContact O-N 2.95Å; T58-H310 PolarHBondContact OG1-NE2 3.05Å; T58-I315 HydrophobicContact CG2-CD1 3.96Å |
| 59 | L | 84.8 | Confident | 81.8 | Confident | 57 Ų | 57 | 45.9 Ų | 45.9 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | -175.4 | -177.1 | 64.8 | 0 | 0 | 0 | 111.9 | A42 F56 L62 C63 | A42-L59 HydrophobicContact CB-CB 4.35Å; A42-L59 HydrophobicContact CB-CD1 4.27Å; F56-L59 HydrophobicContact CD1-CD2 4.32Å; L59-L62 PolarHBondContact O-N 3.32Å; L59-C63 PolarHBondContact O-N 2.93Å; L59-C63 PolarHBondContact O-SG 3.27Å; L59-C63 VanDerWaalsContact O-SG 3.35Å |
| 60 | V | 83.8 | Confident | 82.2 | Confident | 74 Ų | 74 | 42.7 Ų | 42.7 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.2 | -51.3 | -178.9 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | F56 L62 C63 I64 | F56-V60 HydrophobicContact CB-CG2 4.06Å; F56-V60 WeakPolarHBondContact O-CB 3.32Å; F56-V60 WeakPolarHBondContact O-CG2 3.24Å; F56-V60 PolarHBondContact O-N 3.11Å; V60-L62 PolarHBondContact O-N 3.5Å; V60-C63 PolarHBondContact O-N 3.17Å; V60-I64 HydrophobicContact CG1-CD1 3.94Å; V60-I64 WeakPolarHBondContact O-CG1 3.47Å; V60-I64 PolarHBondContact O-N 3.4Å |
| 61 | P | 77.9 | Confident | 82.4 | Confident | 29 Ų | 29 | 47 Ų | 47 | 19% | 0.188 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.5 | -48.6 | 171.1 | -28.7 | 36.2 | 0 | 0 | 0 | 112.7 | T57 T58 C63 I64 I65 I315 | T57-P61 WeakPolarHBondContact O-CD 3.47Å; T57-P61 VanDerWaalsContact O-CG 3.25Å; T57-P61 WeakPolarHBondContact O-CG 3.49Å; T58-P61 WeakPolarHBondContact O-CD 3.5Å; P61-C63 VanDerWaalsContact C-N 3.33Å; P61-C63 PolarHBondContact O-N 3.09Å; P61-I64 WeakPolarHBondContact O-CB 3.45Å; P61-I64 PolarHBondContact O-N 3.35Å; P61-I64 VanDerWaalsContact O-N 3.1Å; P61-I65 VanDerWaalsContact O-CG1 3.23Å; P61-I65 WeakPolarHBondContact O-CG1 2.95Å; P61-I65 PolarHBondContact O-N 2.97Å; P61-I315 HydrophobicContact CB-CG2 4.14Å |
| 62 | L | 83.2 | Confident | 82.1 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.8 | -43.5 | -179 | -177.9 | 64.1 | 0 | 0 | 0 | 112.5 | F38 L39 T58 L59 V60 I65 L66 | F38-L62 HydrophobicContact CB-CD1 4.05Å; F38-L62 HydrophobicContact CB-CD2 4.39Å; L39-L62 HydrophobicContact CB-CD2 4.38Å; T58-L62 WeakPolarHBondContact O-CB 3.41Å; T58-L62 PolarHBondContact O-N 2.95Å; L59-L62 PolarHBondContact O-N 3.32Å; V60-L62 PolarHBondContact O-N 3.5Å; L62-I65 PolarHBondContact O-N 3.02Å; L62-L66 HydrophobicContact CD1-CD1 4.41Å; L62-L66 HydrophobicContact CD1-CG 4.44Å; L62-L66 HydrophobicContact CG-CD1 4.24Å; L62-L66 WeakPolarHBondContact O-CG 3.26Å; L62-L66 PolarHBondContact O-N 3.07Å |
| 63 | C | 86.1 | Confident | 82.3 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 43% | 0.426 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 175 | -72 | 0 | 0 | 0 | 0 | 111.6 | L59 V60 P61 I65 L66 T67 | L59-C63 PolarHBondContact O-N 2.93Å; L59-C63 PolarHBondContact O-SG 3.27Å; L59-C63 VanDerWaalsContact O-SG 3.35Å; V60-C63 PolarHBondContact O-N 3.17Å; P61-C63 VanDerWaalsContact C-N 3.33Å; P61-C63 PolarHBondContact O-N 3.09Å; C63-I65 VanDerWaalsContact C-N 3.3Å; C63-I65 PolarHBondContact O-N 2.69Å; C63-L66 PolarHBondContact O-N 2.99Å; C63-T67 WeakPolarHBondContact O-CB 3.41Å; C63-T67 PolarHBondContact O-N 3.07Å; C63-T67 PolarHBondContact O-OG1 3.39Å |
| 64 | I | 83 | Confident | 82.6 | Confident | 100 Ų | 100 | 49.4 Ų | 49.4 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 176.9 | -67.1 | 166.4 | 0 | 0 | 0 | 110.5 | V60 P61 T67 V68 | V60-I64 HydrophobicContact CG1-CD1 3.94Å; V60-I64 WeakPolarHBondContact O-CG1 3.47Å; V60-I64 PolarHBondContact O-N 3.4Å; P61-I64 WeakPolarHBondContact O-CB 3.45Å; P61-I64 PolarHBondContact O-N 3.35Å; P61-I64 VanDerWaalsContact O-N 3.1Å; I64-T67 PolarHBondContact O-N 3.09Å; I64-V68 HydrophobicContact CG2-CG2 4.39Å; I64-V68 VanDerWaalsContact O-CG2 3.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.33Å; I64-V68 PolarHBondContact O-N 2.95Å |
| 65 | I | 79.3 | Confident | 82.7 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 6% | 0.062 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.7 | -53.8 | 177.8 | -64.5 | -176.4 | 0 | 0 | 0 | 110.6 | P61 L62 C63 T67 V68 S69 I315 V319 | P61-I65 VanDerWaalsContact O-CG1 3.23Å; P61-I65 WeakPolarHBondContact O-CG1 2.95Å; P61-I65 PolarHBondContact O-N 2.97Å; L62-I65 PolarHBondContact O-N 3.02Å; C63-I65 VanDerWaalsContact C-N 3.3Å; C63-I65 PolarHBondContact O-N 2.69Å; I65-T67 VanDerWaalsContact C-N 3.27Å; I65-T67 PolarHBondContact O-N 3.16Å; I65-V68 PolarHBondContact O-N 2.81Å; I65-S69 PolarHBondContact O-N 3.44Å; I65-S69 PolarHBondContact O-OG 3.45Å; I65-I315 HydrophobicContact CD1-CG2 3.29Å; I65-I315 WeakPolarHBondContact CD1-O 3.45Å; I65-V319 HydrophobicContact CB-CG2 3.83Å; I65-V319 HydrophobicContact CD1-CG2 3.99Å; I65-V319 HydrophobicContact CG1-CG2 3.42Å; I65-V319 VanDerWaalsContact CG1-CG2 3.42Å; I65-V319 HydrophobicContact CG2-CG2 3.61Å |
| 66 | L | 85 | Confident | 82.1 | Confident | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.188 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.3 | -36.2 | -178.5 | -68.8 | 175.2 | 0 | 0 | 0 | 111.7 | F25 Q29 F30 L62 C63 A70 | F25-L66 WeakPolarHBondContact CZ-O 3.33Å; Q29-L66 HydrophobicContact CB-CD2 3.94Å; Q29-L66 HydrophobicContact CG-CD2 4.12Å; F30-L66 HydrophobicContact CZ-CD1 4.33Å; L62-L66 HydrophobicContact CD1-CD1 4.41Å; L62-L66 HydrophobicContact CD1-CG 4.44Å; L62-L66 HydrophobicContact CG-CD1 4.24Å; L62-L66 WeakPolarHBondContact O-CG 3.26Å; L62-L66 PolarHBondContact O-N 3.07Å; C63-L66 PolarHBondContact O-N 2.99Å; L66-A70 VanDerWaalsContact O-CB 3.24Å; L66-A70 WeakPolarHBondContact O-CB 3.48Å; L66-A70 PolarHBondContact O-N 3.02Å |
| 67 | T | 87.4 | Confident | 81.7 | Confident | 78 Ų | 78 | 42.4 Ų | 42.4 | 48% | 0.479 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.6 | -45.2 | 175 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | C63 I64 I65 S69 A70 I71 | C63-T67 WeakPolarHBondContact O-CB 3.41Å; C63-T67 PolarHBondContact O-N 3.07Å; C63-T67 PolarHBondContact O-OG1 3.39Å; I64-T67 PolarHBondContact O-N 3.09Å; I65-T67 VanDerWaalsContact C-N 3.27Å; I65-T67 PolarHBondContact O-N 3.16Å; T67-S69 PolarHBondContact O-N 3.19Å; T67-A70 WeakPolarHBondContact O-CB 3.24Å; T67-A70 PolarHBondContact O-N 3.43Å; T67-I71 HydrophobicContact CG2-CD1 3.95Å; T67-I71 HydrophobicContact CG2-CG1 4.47Å; T67-I71 WeakPolarHBondContact O-CG1 3.35Å; T67-I71 PolarHBondContact O-N 3.3Å |
| 68 | V | 82.3 | Confident | 81.8 | Confident | 60 Ų | 60 | 47.7 Ų | 47.7 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 177.6 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | I64 I65 A70 I71 K72 | I64-V68 HydrophobicContact CG2-CG2 4.39Å; I64-V68 VanDerWaalsContact O-CG2 3.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.33Å; I64-V68 PolarHBondContact O-N 2.95Å; I65-V68 PolarHBondContact O-N 2.81Å; V68-A70 VanDerWaalsContact C-N 3.32Å; V68-A70 PolarHBondContact O-N 3.32Å; V68-I71 PolarHBondContact O-N 3.19Å; V68-K72 PolarHBondContact O-N 3.19Å |
| 69 | S | 79.5 | Confident | 81.5 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.3 | -34.6 | 175.9 | -56 | 0 | 0 | 0 | 0 | 112.2 | I65 T67 K72 E73 E322 | I65-S69 PolarHBondContact O-N 3.44Å; I65-S69 PolarHBondContact O-OG 3.45Å; T67-S69 PolarHBondContact O-N 3.19Å; S69-K72 PolarHBondContact O-N 3.35Å; S69-E73 PolarHBondContact O-N 3.06Å; S69-E73 VanDerWaalsContact O-N 3.09Å; S69-E322 PolarHBondContact OG-OE2 3.34Å |
| 70 | A | 85.8 | Confident | 80.7 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 17% | 0.165 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.2 | -46.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F21 F25 L66 T67 V68 K72 E73 V74 | F21-A70 HydrophobicContact CZ-CB 4.46Å; F25-A70 HydrophobicContact CE1-CB 3.79Å; F25-A70 HydrophobicContact CE2-CB 4.04Å; F25-A70 VanDerWaalsContact CZ-CA 3.44Å; F25-A70 HydrophobicContact CZ-CB 3.5Å; L66-A70 VanDerWaalsContact O-CB 3.24Å; L66-A70 WeakPolarHBondContact O-CB 3.48Å; L66-A70 PolarHBondContact O-N 3.02Å; T67-A70 WeakPolarHBondContact O-CB 3.24Å; T67-A70 PolarHBondContact O-N 3.43Å; V68-A70 VanDerWaalsContact C-N 3.32Å; V68-A70 PolarHBondContact O-N 3.32Å; A70-K72 VanDerWaalsContact C-N 3.28Å; A70-K72 PolarHBondContact O-N 2.83Å; A70-E73 PolarHBondContact O-N 3.4Å; A70-V74 VanDerWaalsContact O-CG2 3.29Å; A70-V74 WeakPolarHBondContact O-CG2 3.2Å; A70-V74 PolarHBondContact O-N 3.02Å |
| 71 | I | 87.2 | Confident | 80.4 | Confident | 95 Ų | 95 | 54.6 Ų | 54.6 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 176.6 | -69.2 | 166.6 | 0 | 0 | 0 | 110.1 | T67 V68 V74 I75 | T67-I71 HydrophobicContact CG2-CD1 3.95Å; T67-I71 HydrophobicContact CG2-CG1 4.47Å; T67-I71 WeakPolarHBondContact O-CG1 3.35Å; T67-I71 PolarHBondContact O-N 3.3Å; V68-I71 PolarHBondContact O-N 3.19Å; I71-V74 PolarHBondContact O-N 2.94Å; I71-I75 HydrophobicContact CG2-CD1 3.8Å; I71-I75 HydrophobicContact CG2-CG1 4.46Å; I71-I75 VanDerWaalsContact O-CG1 3.29Å; I71-I75 WeakPolarHBondContact O-CG1 3.27Å; I71-I75 PolarHBondContact O-N 3.42Å |
| 72 | K | 78.7 | Confident | 80.5 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.2 | -53.1 | 176.2 | -175.2 | -162 | 173.8 | -168.6 | 0 | 111.9 | V68 S69 A70 V74 I75 E76 S352 N353 | V68-K72 PolarHBondContact O-N 3.19Å; S69-K72 PolarHBondContact O-N 3.35Å; A70-K72 VanDerWaalsContact C-N 3.28Å; A70-K72 PolarHBondContact O-N 2.83Å; K72-V74 VanDerWaalsContact C-N 3.32Å; K72-V74 PolarHBondContact O-N 2.84Å; K72-I75 PolarHBondContact O-N 3.4Å; K72-E76 WeakPolarHBondContact CE-OE1 3.31Å; K72-E76 IonicContact NZ-OE1 3.59Å; K72-E76 PolarHBondContact O-N 3.46Å; K72-S352 WeakPolarHBondContact CE-OG 3.21Å; K72-S352 PolarHBondContact NZ-OG 2.98Å; K72-N353 PolarHBondContact NZ-OD1 2.85Å |
| 73 | E | 78.6 | Confident | 79.9 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.6 | -36.2 | -179.7 | -71.2 | -68.1 | 151.9 | 0 | 0 | 112 | K15 Y16 F25 S69 A70 E76 D77 | K15-E73 IonicContact NZ-OE2 3.65Å; K15-E73 PolarHBondContact NZ-OE2 3.18Å; K15-E73 VanDerWaalsContact NZ-OE2 3.14Å; Y16-E73 HydrophobicContact CE2-CB 4.42Å; Y16-E73 PolarHBondContact OH-OE2 2.85Å; F25-E73 HydrophobicContact CD2-CB 4.45Å; F25-E73 HydrophobicContact CD2-CG 4.25Å; F25-E73 HydrophobicContact CE2-CG 4.18Å; S69-E73 PolarHBondContact O-N 3.06Å; S69-E73 VanDerWaalsContact O-N 3.09Å; A70-E73 PolarHBondContact O-N 3.4Å; E73-E76 PolarHBondContact O-N 3.13Å; E73-D77 WeakPolarHBondContact O-CB 3.49Å; E73-D77 PolarHBondContact O-N 3Å |
| 74 | V | 83.9 | Confident | 79.4 | Confident | 72 Ų | 72 | 61 Ų | 61 | 44% | 0.436 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 174.1 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | F21 A70 I71 K72 E76 D77 F78 | F21-V74 HydrophobicContact CE1-CG2 4.04Å; F21-V74 HydrophobicContact CE2-CG2 3.65Å; F21-V74 HydrophobicContact CZ-CG2 3.38Å; A70-V74 VanDerWaalsContact O-CG2 3.29Å; A70-V74 WeakPolarHBondContact O-CG2 3.2Å; A70-V74 PolarHBondContact O-N 3.02Å; I71-V74 PolarHBondContact O-N 2.94Å; K72-V74 VanDerWaalsContact C-N 3.32Å; K72-V74 PolarHBondContact O-N 2.84Å; V74-E76 VanDerWaalsContact C-N 3.34Å; V74-D77 PolarHBondContact O-N 2.94Å; V74-F78 VanDerWaalsContact O-CB 3.22Å; V74-F78 WeakPolarHBondContact O-CB 3.2Å; V74-F78 PolarHBondContact O-N 3.17Å |
| 75 | I | 81.3 | Confident | 79.4 | Confident | 86 Ų | 86 | 59.7 Ų | 59.7 | 44% | 0.441 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.5 | -67.4 | 165.9 | 0 | 0 | 0 | 110.6 | I71 K72 R79 | I71-I75 HydrophobicContact CG2-CD1 3.8Å; I71-I75 HydrophobicContact CG2-CG1 4.46Å; I71-I75 VanDerWaalsContact O-CG1 3.29Å; I71-I75 WeakPolarHBondContact O-CG1 3.27Å; I71-I75 PolarHBondContact O-N 3.42Å; K72-I75 PolarHBondContact O-N 3.4Å; I75-R79 WeakPolarHBondContact O-CG 3.18Å; I75-R79 PolarHBondContact O-N 2.95Å |
| 76 | E | 70.9 | Confident | 79.6 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 16% | 0.159 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 177.8 | -73.5 | -173 | -172.1 | 0 | 0 | 112.2 | K72 E73 V74 R79 R80 | K72-E76 WeakPolarHBondContact CE-OE1 3.31Å; K72-E76 IonicContact NZ-OE1 3.59Å; K72-E76 PolarHBondContact O-N 3.46Å; E73-E76 PolarHBondContact O-N 3.13Å; V74-E76 VanDerWaalsContact C-N 3.34Å; E76-R79 PolarHBondContact O-N 2.78Å; E76-R80 PolarHBondContact O-N 3.17Å |
| 77 | D | 76.7 | Confident | 79.2 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -75.8 | -32.5 | -178.8 | -141 | 45.1 | 0 | 0 | 0 | 112.4 | K15 Y16 E73 V74 R79 R80 H81 | K15-D77 PolarHBondContact N-OD1 3.04Å; Y16-D77 WeakPolarHBondContact CB-OD2 3.01Å; Y16-D77 HydrophobicContact CD2-CB 4.1Å; Y16-D77 WeakPolarHBondContact CD2-OD2 3.4Å; Y16-D77 PolarHBondContact N-OD2 2.82Å; E73-D77 WeakPolarHBondContact O-CB 3.49Å; E73-D77 PolarHBondContact O-N 3Å; V74-D77 PolarHBondContact O-N 2.94Å; D77-R79 VanDerWaalsContact C-N 3.27Å; D77-R79 PolarHBondContact O-N 2.9Å; D77-R80 WeakPolarHBondContact O-CB 3.49Å; D77-R80 PolarHBondContact O-N 3.09Å; D77-R80 IonicContact OD1-NH1 2.77Å; D77-R80 PolarHBondContact OD1-NH1 2.86Å; D77-H81 PolarHBondContact O-CD2 2.82Å; D77-H81 VanDerWaalsContact O-CD2 3.31Å; D77-H81 PolarHBondContact O-N 2.94Å; D77-H81 IonicContact OD2-NE2 3.84Å |
| 78 | F | 80.5 | Confident | 79.1 | Confident | 140 Ų | 140 | 58.8 Ų | 58.8 | 61% | 0.614 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.2 | -38.7 | 171.2 | -175.9 | -97.9 | 0 | 0 | 0 | 111.8 | V74 R80 H81 R82 | V74-F78 VanDerWaalsContact O-CB 3.22Å; V74-F78 WeakPolarHBondContact O-CB 3.2Å; V74-F78 PolarHBondContact O-N 3.17Å; F78-R80 VanDerWaalsContact C-N 3.33Å; F78-R80 PolarHBondContact O-N 2.79Å; F78-H81 PolarHBondContact O-N 3.42Å; F78-R82 PolarHBondContact O-N 2.91Å |
| 79 | R | 75.2 | Confident | 79.3 | Confident | 162 Ų | 162 | 59.6 Ų | 59.6 | 61% | 0.611 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.4 | -35.9 | 173.5 | -71.5 | 174.4 | -178.5 | -174.6 | -0.1 | 112.2 | I75 E76 D77 A83 | I75-R79 WeakPolarHBondContact O-CG 3.18Å; I75-R79 PolarHBondContact O-N 2.95Å; E76-R79 PolarHBondContact O-N 2.78Å; D77-R79 VanDerWaalsContact C-N 3.27Å; D77-R79 PolarHBondContact O-N 2.9Å; R79-A83 PolarHBondContact O-N 3.17Å |
| 80 | R | 69.5 | Low | 79.5 | Confident | 57 Ų | 57 | 63.5 Ų | 63.5 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67 | -46.2 | 174 | -67.5 | -166.5 | -177.9 | 102.1 | 8.9 | 111.7 | K15 E76 D77 F78 R82 A83 D84 | K15-R80 VanDerWaalsContact CD-NH1 3.32Å; K15-R80 VanDerWaalsContact CE-NH1 3.31Å; E76-R80 PolarHBondContact O-N 3.17Å; D77-R80 WeakPolarHBondContact O-CB 3.49Å; D77-R80 PolarHBondContact O-N 3.09Å; D77-R80 IonicContact OD1-NH1 2.77Å; D77-R80 PolarHBondContact OD1-NH1 2.86Å; F78-R80 VanDerWaalsContact C-N 3.33Å; F78-R80 PolarHBondContact O-N 2.79Å; R80-R82 VanDerWaalsContact C-N 3.31Å; R80-R82 PolarHBondContact O-N 2.92Å; R80-A83 WeakPolarHBondContact O-CB 3.22Å; R80-A83 PolarHBondContact O-N 3.43Å; R80-D84 PolarHBondContact O-N 3.02Å |
| 81 | H | 75.8 | Confident | 79.7 | Confident | 57 Ų | 57 | 68 Ų | 68 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.1 | -44.2 | 175.2 | -79.2 | -61.8 | 0 | 0 | 0 | 112.2 | A14 Y16 D77 F78 A83 D84 D85 | A14-H81 WeakPolarHBondContact CB-CE1 3.41Å; A14-H81 WeakPolarHBondContact CB-NE2 3.48Å; Y16-H81 PolarHBondContact O-NE2 2.86Å; D77-H81 PolarHBondContact O-CD2 2.82Å; D77-H81 VanDerWaalsContact O-CD2 3.31Å; D77-H81 PolarHBondContact O-N 2.94Å; D77-H81 IonicContact OD2-NE2 3.84Å; F78-H81 PolarHBondContact O-N 3.42Å; H81-A83 VanDerWaalsContact C-N 3.26Å; H81-A83 PolarHBondContact O-N 3Å; H81-D84 PolarHBondContact O-N 2.85Å; H81-D85 WeakPolarHBondContact O-CB 3.37Å; H81-D85 PolarHBondContact O-N 3.32Å |
| 82 | R | 81.4 | Confident | 79.9 | Confident | 189 Ų | 189 | 63.9 Ų | 63.9 | 71% | 0.713 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.5 | -35.5 | 176.2 | -171.4 | 176.8 | -179.8 | 180 | 0.5 | 112.9 | F78 R80 A86 | F78-R82 PolarHBondContact O-N 2.91Å; R80-R82 VanDerWaalsContact C-N 3.31Å; R80-R82 PolarHBondContact O-N 2.92Å; R82-A86 PolarHBondContact O-N 3.48Å |
| 83 | A | 70.1 | Confident | 80.6 | Confident | 39 Ų | 39 | 64.3 Ų | 64.3 | 32% | 0.322 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.8 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R79 R80 H81 D85 A86 T87 | R79-A83 PolarHBondContact O-N 3.17Å; R80-A83 WeakPolarHBondContact O-CB 3.22Å; R80-A83 PolarHBondContact O-N 3.43Å; H81-A83 VanDerWaalsContact C-N 3.26Å; H81-A83 PolarHBondContact O-N 3Å; A83-D85 VanDerWaalsContact C-N 3.34Å; A83-A86 WeakPolarHBondContact O-CB 3.22Å; A83-A86 PolarHBondContact O-N 3.47Å; A83-T87 PolarHBondContact O-N 2.96Å |
| 84 | D | 75.6 | Confident | 81.2 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 175.2 | -67.2 | -19.6 | 0 | 0 | 0 | 111.3 | F11 S12 T13 A14 R80 H81 A86 T87 N88 | F11-D84 HydrophobicContact CD1-CB 4.05Å; F11-D84 HydrophobicContact CE1-CB 4.31Å; F11-D84 WeakPolarHBondContact CE1-OD1 3.48Å; S12-D84 WeakPolarHBondContact CA-OD2 3.46Å; T13-D84 WeakPolarHBondContact CB-OD1 3.32Å; T13-D84 WeakPolarHBondContact CG2-OD1 3.37Å; T13-D84 VanDerWaalsContact N-CG 3.31Å; T13-D84 PolarHBondContact N-OD1 3.5Å; T13-D84 PolarHBondContact N-OD2 2.92Å; T13-D84 PolarHBondContact OG1-OD1 3.42Å; T13-D84 PolarHBondContact OG1-OD2 3.19Å; A14-D84 PolarHBondContact N-OD2 3.11Å; R80-D84 PolarHBondContact O-N 3.02Å; H81-D84 PolarHBondContact O-N 2.85Å; D84-A86 VanDerWaalsContact C-N 3.29Å; D84-A86 PolarHBondContact O-N 3.15Å; D84-T87 PolarHBondContact O-N 2.83Å; D84-N88 WeakPolarHBondContact O-CB 3.27Å; D84-N88 VanDerWaalsContact O-CG 3.31Å; D84-N88 PolarHBondContact O-N 3.46Å; D84-N88 PolarHBondContact O-ND2 2.96Å; D84-N88 VanDerWaalsContact O-ND2 3.1Å |
| 85 | D | 82.5 | Confident | 81.5 | Confident | 73 Ų | 73 | 61.4 Ų | 61.4 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.9 | -35.5 | 178 | -70.7 | -21.4 | 0 | 0 | 0 | 111.6 | H81 A83 N89 | H81-D85 WeakPolarHBondContact O-CB 3.37Å; H81-D85 PolarHBondContact O-N 3.32Å; A83-D85 VanDerWaalsContact C-N 3.34Å; D85-N89 VanDerWaalsContact O-CB 3.27Å; D85-N89 WeakPolarHBondContact O-CB 3.48Å; D85-N89 PolarHBondContact O-N 2.75Å; D85-N89 PolarHBondContact O-ND2 2.88Å |
| 86 | A | 82.8 | Confident | 81.8 | Confident | 64 Ų | 64 | 61.8 Ų | 61.8 | 53% | 0.529 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R82 A83 D84 | R82-A86 PolarHBondContact O-N 3.48Å; A83-A86 WeakPolarHBondContact O-CB 3.22Å; A83-A86 PolarHBondContact O-N 3.47Å; D84-A86 VanDerWaalsContact C-N 3.29Å; D84-A86 PolarHBondContact O-N 3.15Å |
| 87 | T | 77.5 | Confident | 82.3 | Confident | 40 Ų | 40 | 67.5 Ų | 67.5 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.6 | -39 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 112.6 | F11 A83 D84 N89 E90 W105 | F11-T87 HydrophobicContact CD1-CG2 4.5Å; A83-T87 PolarHBondContact O-N 2.96Å; D84-T87 PolarHBondContact O-N 2.83Å; T87-N89 VanDerWaalsContact C-N 3.26Å; T87-N89 PolarHBondContact O-N 2.87Å; T87-E90 PolarHBondContact O-N 3.38Å; T87-W105 HydrophobicContact CG2-CE3 4.23Å; T87-W105 HydrophobicContact CG2-CZ3 4.12Å |
| 88 | N | 84.4 | Confident | 82.5 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.4 | -26.2 | 179.7 | -80 | -40.2 | 0 | 0 | 0 | 113.6 | L9 F11 D84 W105 K106 | L9-N88 PolarHBondContact O-OD1 2.92Å; F11-N88 WeakPolarHBondContact CB-OD1 3.27Å; F11-N88 PolarHBondContact N-OD1 2.88Å; F11-N88 PolarHBondContact O-ND2 3.5Å; D84-N88 WeakPolarHBondContact O-CB 3.27Å; D84-N88 VanDerWaalsContact O-CG 3.31Å; D84-N88 PolarHBondContact O-N 3.46Å; D84-N88 PolarHBondContact O-ND2 2.96Å; D84-N88 VanDerWaalsContact O-ND2 3.1Å; N88-W105 PolarHBondContact O-N 3.15Å; N88-K106 HydrophobicContact CB-CB 4.3Å; N88-K106 PolarHBondContact O-N 3.34Å |
| 89 | N | 86.8 | Confident | 82.8 | Confident | 76 Ų | 76 | 71 Ų | 71 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 7.9 | 179.1 | -64.8 | -41.5 | 0 | 0 | 0 | 112.8 | D85 T87 K106 | D85-N89 VanDerWaalsContact O-CB 3.27Å; D85-N89 WeakPolarHBondContact O-CB 3.48Å; D85-N89 PolarHBondContact O-N 2.75Å; D85-N89 PolarHBondContact O-ND2 2.88Å; T87-N89 VanDerWaalsContact C-N 3.26Å; T87-N89 PolarHBondContact O-N 2.87Å; N89-K106 PolarHBondContact OD1-NZ 3.41Å |
| 90 | E | 85.1 | Confident | 83.5 | Confident | 86 Ų | 86 | 65.3 Ų | 65.3 | 40% | 0.402 | 33% | 0.326 | S | S | . | . | trans | -61.6 | 143.2 | 166.8 | -72.6 | -176.3 | -169.8 | 0 | 0 | 109.9 | T87 C104 W105 | T87-E90 PolarHBondContact O-N 3.38Å; E90-C104 CarbonylContact O-C 3.52Å; E90-C104 WeakPolarHBondContact O-CA 3.27Å; E90-W105 HydrophobicContact CB-CD2 3.98Å; E90-W105 HydrophobicContact CB-CG 4.06Å; E90-W105 HydrophobicContact CB-CZ2 4.39Å; E90-W105 PolarHBondContact O-N 3.17Å; E90-W105 WeakPolarHBondContact OE2-CH2 3.34Å; E90-W105 VanDerWaalsContact OE2-CZ2 3.31Å; E90-W105 WeakPolarHBondContact OE2-CZ2 3.38Å | ||
| 91 | E | 89.6 | Confident | 84.5 | Confident | 115 Ų | 115 | 65.4 Ų | 65.4 | 54% | 0.537 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 147.3 | -176.6 | -63.8 | -175.4 | 168 | 0 | 0 | 110.9 | K102 I103 | E91-K102 IonicContact OE2-NZ 3.29Å; E91-K102 PolarHBondContact OE2-NZ 2.83Å; E91-I103 CarbonylContact C-O 3.58Å; E91-I103 WeakPolarHBondContact CA-O 3.39Å |
| 92 | T | 90.4 | Very high | 85.3 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.043 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 154.7 | 168.8 | -170.1 | 0 | 0 | 0 | 0 | 110.1 | V94 K102 I103 V114 P123 | T92-V94 HydrophobicContact CG2-CG2 4.29Å; T92-K102 WeakPolarHBondContact O-CA 3.5Å; T92-I103 HydrophobicContact CG2-CG1 3.94Å; T92-I103 PolarHBondContact N-O 3.35Å; T92-I103 PolarHBondContact O-N 3.44Å; T92-V114 VanDerWaalsContact OG1-CG1 3.22Å; T92-V114 WeakPolarHBondContact OG1-CG1 3.42Å; T92-P123 HydrophobicContact CG2-CG 4.48Å |
| 93 | L | 93.2 | Very high | 85.8 | Confident | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.157 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125 | 178.1 | -67.2 | 167.5 | 0 | 0 | 0 | 110.3 | W100 K102 V114 K115 L117 | L93-W100 HydrophobicContact CB-CE3 4.4Å; L93-W100 HydrophobicContact CD2-CB 4.44Å; L93-K102 HydrophobicContact CD2-CB 4.47Å; L93-K102 HydrophobicContact CD2-CG 3.44Å; L93-K102 VanDerWaalsContact CD2-CG 3.44Å; L93-K102 HydrophobicContact CG-CG 4.49Å; L93-V114 CarbonylContact O-C 3.46Å; L93-V114 WeakPolarHBondContact O-CA 3.38Å; L93-K115 HydrophobicContact CB-CB 3.99Å; L93-K115 HydrophobicContact CD1-CD 4.1Å; L93-K115 HydrophobicContact CD1-CG 4.44Å; L93-K115 PolarHBondContact O-N 2.94Å; L93-L117 HydrophobicContact CD1-CD1 4.32Å; L93-L117 HydrophobicContact CD1-CG 4.43Å |
| 94 | V | 92.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.5 | 175.8 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | T92 R96 V101 I103 L108 D112 L113 V114 | T92-V94 HydrophobicContact CG2-CG2 4.29Å; V94-R96 HydrophobicContact CG1-CG 4.08Å; V94-R96 PolarHBondContact O-N 3.42Å; V94-V101 PolarHBondContact N-O 3.1Å; V94-V101 PolarHBondContact O-N 2.84Å; V94-I103 HydrophobicContact CB-CD1 3.9Å; V94-I103 HydrophobicContact CB-CG1 4.16Å; V94-I103 HydrophobicContact CG1-CD1 4.46Å; V94-I103 HydrophobicContact CG2-CD1 3.34Å; V94-I103 HydrophobicContact CG2-CG1 3.67Å; V94-L108 HydrophobicContact CG2-CD1 3.65Å; V94-D112 HydrophobicContact CG1-CB 3.85Å; V94-L113 VanDerWaalsContact CA-O 3.3Å; V94-L113 WeakPolarHBondContact CA-O 3.43Å; V94-V114 HydrophobicContact CG2-CG2 4.15Å |
| 95 | L | 90.3 | Very high | 87.4 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 110.2 | 176.8 | -170 | 66.2 | 0 | 0 | 0 | 110 | W100 L113 A166 L169 | L95-W100 HydrophobicContact CB-CE3 4.04Å; L95-W100 HydrophobicContact CB-CH2 4.04Å; L95-W100 HydrophobicContact CB-CZ3 3.68Å; L95-W100 HydrophobicContact CD1-CD2 4.14Å; L95-W100 HydrophobicContact CD1-CE3 4.32Å; L95-W100 HydrophobicContact CD1-CH2 4.35Å; L95-W100 HydrophobicContact CD1-CZ2 4.17Å; L95-W100 HydrophobicContact CD1-CZ3 4.42Å; L95-L113 HydrophobicContact CB-CB 4.03Å; L95-L113 HydrophobicContact CD2-CD1 3.9Å; L95-L113 PolarHBondContact N-O 3.45Å; L95-A166 HydrophobicContact CD1-CB 3.98Å; L95-L169 HydrophobicContact CD2-CB 3.99Å |
| 96 | R | 86.7 | Confident | 87.6 | Confident | 94 Ų | 94 | 61.2 Ų | 61.2 | 36% | 0.355 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.8 | 173.2 | -64.1 | -170.1 | 176.2 | 176.2 | 1.9 | 109.6 | V94 H98 V99 V101 D112 | V94-R96 HydrophobicContact CG1-CG 4.08Å; V94-R96 PolarHBondContact O-N 3.42Å; R96-H98 VanDerWaalsContact C-N 3.27Å; R96-H98 PolarHBondContact O-N 3.26Å; R96-V99 PolarHBondContact N-O 3.3Å; R96-V99 PolarHBondContact O-N 2.9Å; R96-V101 HydrophobicContact CB-CG2 4.23Å; R96-D112 IonicContact NH2-OD2 3.29Å; R96-D112 PolarHBondContact NH2-OD2 2.84Å |
| 97 | N | 82 | Confident | 87.9 | Confident | 153 Ų | 153 | 62 Ų | 62 | 82% | 0.818 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 43.2 | -179.4 | -58.2 | -31 | 0 | 0 | 0 | 113.6 | V99 | N97-V99 PolarHBondContact O-N 3.33Å; N97-V99 VanDerWaalsContact O-N 3.16Å |
| 98 | H | 81.4 | Confident | 88.4 | Confident | 131 Ų | 131 | 60.1 Ų | 60.1 | 61% | 0.606 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 11.7 | -177.3 | -47.2 | -81 | 0 | 0 | 0 | 115.6 | R96 S170 | R96-H98 VanDerWaalsContact C-N 3.27Å; R96-H98 PolarHBondContact O-N 3.26Å; H98-S170 PolarHBondContact CE1-OG 3.13Å; H98-S170 WeakPolarHBondContact ND1-CB 3.34Å; H98-S170 PolarHBondContact ND1-OG 2.84Å |
| 99 | V | 86.9 | Confident | 88.6 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 55% | 0.552 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.1 | 178.9 | -178 | 0 | 0 | 0 | 0 | 109.7 | R96 N97 V101 | R96-V99 PolarHBondContact N-O 3.3Å; R96-V99 PolarHBondContact O-N 2.9Å; N97-V99 PolarHBondContact O-N 3.33Å; N97-V99 VanDerWaalsContact O-N 3.16Å; V99-V101 PolarHBondContact O-N 3.36Å |
| 100 | W | 88.9 | Confident | 88.8 | Confident | 43 Ų | 43 | 65 Ų | 65 | 16% | 0.163 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 111.8 | 170.8 | -63.5 | 107.4 | 0 | 0 | 0 | 109.9 | L93 L95 K115 A166 L169 F221 R1149 | L93-W100 HydrophobicContact CB-CE3 4.4Å; L93-W100 HydrophobicContact CD2-CB 4.44Å; L95-W100 HydrophobicContact CB-CE3 4.04Å; L95-W100 HydrophobicContact CB-CH2 4.04Å; L95-W100 HydrophobicContact CB-CZ3 3.68Å; L95-W100 HydrophobicContact CD1-CD2 4.14Å; L95-W100 HydrophobicContact CD1-CE3 4.32Å; L95-W100 HydrophobicContact CD1-CH2 4.35Å; L95-W100 HydrophobicContact CD1-CZ2 4.17Å; L95-W100 HydrophobicContact CD1-CZ3 4.42Å; W100-K115 HydrophobicContact CD2-CB 4.27Å; W100-K115 HydrophobicContact CD2-CD 4.21Å; W100-K115 HydrophobicContact CE3-CB 3.71Å; W100-K115 HydrophobicContact CE3-CD 4.49Å; W100-K115 HydrophobicContact CH2-CB 3.83Å; W100-K115 HydrophobicContact CZ2-CB 4.37Å; W100-K115 HydrophobicContact CZ2-CD 4.46Å; W100-K115 HydrophobicContact CZ3-CB 3.46Å; W100-K115 VanDerWaalsContact CZ3-CB 3.46Å; W100-A166 HydrophobicContact CZ2-CB 4.35Å; W100-L169 HydrophobicContact CH2-CD1 4.02Å; W100-L169 HydrophobicContact CZ2-CD1 3.91Å; W100-F221 AromaticContact CH2-CD1 3.56Å; W100-F221 HydrophobicContact CH2-CD1 3.56Å; W100-F221 AromaticContact CH2-CE1 3.47Å; W100-F221 HydrophobicContact CH2-CE1 3.47Å; W100-F221 VanDerWaalsContact CH2-CE1 3.47Å; W100-F221 HydrophobicContact CH2-CZ 4.35Å; W100-F221 AromaticContact CZ2-CD1 3.8Å; W100-F221 HydrophobicContact CZ2-CD1 3.8Å; W100-F221 AromaticContact CZ2-CE1 3.2Å; W100-F221 HydrophobicContact CZ2-CE1 3.2Å; W100-F221 AromaticContact CZ2-CZ 3.72Å; W100-F221 HydrophobicContact CZ2-CZ 3.72Å; W100-R1149 PolarHBondContact NE1-OXT 2.66Å |
| 101 | V | 91.5 | Very high | 89 | Confident | 60 Ų | 60 | 63 Ų | 63 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.8 | 178.3 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | V94 R96 V99 I103 | V94-V101 PolarHBondContact N-O 3.1Å; V94-V101 PolarHBondContact O-N 2.84Å; R96-V101 HydrophobicContact CB-CG2 4.23Å; V99-V101 PolarHBondContact O-N 3.36Å; V101-I103 HydrophobicContact CG1-CG2 4.22Å |
| 102 | K | 92.2 | Very high | 89.1 | Confident | 138 Ų | 138 | 58.9 Ų | 58.9 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 124 | 170.6 | -70.9 | -179.7 | 161.8 | -150.1 | 0 | 109.6 | E91 T92 L93 | E91-K102 IonicContact OE2-NZ 3.29Å; E91-K102 PolarHBondContact OE2-NZ 2.83Å; T92-K102 WeakPolarHBondContact O-CA 3.5Å; L93-K102 HydrophobicContact CD2-CB 4.47Å; L93-K102 HydrophobicContact CD2-CG 3.44Å; L93-K102 VanDerWaalsContact CD2-CG 3.44Å; L93-K102 HydrophobicContact CG-CG 4.49Å |
| 103 | I | 91.3 | Very high | 89.2 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 154.9 | 174.7 | 66.4 | 166.6 | 0 | 0 | 0 | 110.2 | E91 T92 V94 V101 L108 | E91-I103 CarbonylContact C-O 3.58Å; E91-I103 WeakPolarHBondContact CA-O 3.39Å; T92-I103 HydrophobicContact CG2-CG1 3.94Å; T92-I103 PolarHBondContact N-O 3.35Å; T92-I103 PolarHBondContact O-N 3.44Å; V94-I103 HydrophobicContact CB-CD1 3.9Å; V94-I103 HydrophobicContact CB-CG1 4.16Å; V94-I103 HydrophobicContact CG1-CD1 4.46Å; V94-I103 HydrophobicContact CG2-CD1 3.34Å; V94-I103 HydrophobicContact CG2-CG1 3.67Å; V101-I103 HydrophobicContact CG1-CG2 4.22Å; I103-L108 HydrophobicContact CD1-CB 4.39Å; I103-L108 HydrophobicContact CD1-CD1 4.05Å |
| 104 | C | 90.8 | Very high | 89.1 | Confident | 32 Ų | 32 | 59 Ų | 59 | 22% | 0.216 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 150 | 170.5 | -67.7 | 0 | 0 | 0 | 0 | 109.9 | E90 K106 D107 | E90-C104 CarbonylContact O-C 3.52Å; E90-C104 WeakPolarHBondContact O-CA 3.27Å; C104-K106 HydrophobicContact CB-CD 4.34Å; C104-K106 HydrophobicContact CB-CG 3.95Å; C104-K106 PolarHBondContact O-N 3.4Å; C104-D107 PolarHBondContact O-N 2.92Å |
| 105 | W | 89.3 | Confident | 89.2 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -51.4 | -44 | 176.6 | -82.6 | 28.1 | 0 | 0 | 0 | 111.9 | L9 T87 N88 E90 D107 L108 P123 | L9-W105 WeakPolarHBondContact CB-O 3.33Å; L9-W105 VanDerWaalsContact CD2-C 3.43Å; L9-W105 HydrophobicContact CD2-CB 3.64Å; L9-W105 HydrophobicContact CD2-CE3 4.46Å; L9-W105 HydrophobicContact CD2-CG 4.44Å; L9-W105 WeakPolarHBondContact CD2-O 3.49Å; T87-W105 HydrophobicContact CG2-CE3 4.23Å; T87-W105 HydrophobicContact CG2-CZ3 4.12Å; N88-W105 PolarHBondContact O-N 3.15Å; E90-W105 HydrophobicContact CB-CD2 3.98Å; E90-W105 HydrophobicContact CB-CG 4.06Å; E90-W105 HydrophobicContact CB-CZ2 4.39Å; E90-W105 PolarHBondContact O-N 3.17Å; E90-W105 WeakPolarHBondContact OE2-CH2 3.34Å; E90-W105 VanDerWaalsContact OE2-CZ2 3.31Å; E90-W105 WeakPolarHBondContact OE2-CZ2 3.38Å; W105-D107 PolarHBondContact O-N 3.49Å; W105-L108 VanDerWaalsContact O-CB 3.26Å; W105-L108 WeakPolarHBondContact O-CB 3.29Å; W105-L108 PolarHBondContact O-N 3.35Å; W105-P123 HydrophobicContact CD2-CB 3.72Å; W105-P123 HydrophobicContact CE3-CB 4.26Å; W105-P123 HydrophobicContact CG-CB 4Å; W105-P123 HydrophobicContact CZ2-CB 4.02Å |
| 106 | K | 86.6 | Confident | 89.3 | Confident | 70 Ų | 70 | 59.2 Ų | 59.2 | 30% | 0.304 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -55.4 | -25.2 | 178.7 | 72.4 | -167.3 | 177.8 | -162.9 | 0 | 115.3 | L9 N88 N89 C104 | L9-K106 PolarHBondContact N-O 3.3Å; N88-K106 HydrophobicContact CB-CB 4.3Å; N88-K106 PolarHBondContact O-N 3.34Å; N89-K106 PolarHBondContact OD1-NZ 3.41Å; C104-K106 HydrophobicContact CB-CD 4.34Å; C104-K106 HydrophobicContact CB-CG 3.95Å; C104-K106 PolarHBondContact O-N 3.4Å |
| 107 | D | 88.4 | Confident | 89.5 | Confident | 80 Ų | 80 | 57.7 Ų | 57.7 | 43% | 0.428 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -97 | 6.1 | -175.8 | -57.1 | -44.5 | 0 | 0 | 0 | 112.7 | C104 W105 | C104-D107 PolarHBondContact O-N 2.92Å; W105-D107 PolarHBondContact O-N 3.49Å |
| 108 | L | 88.2 | Confident | 89.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -78.8 | 129 | 177.5 | -172.3 | 71.6 | 0 | 0 | 0 | 111.3 | L9 V94 I103 W105 D112 V114 P123 A124 T224 | L9-L108 HydrophobicContact CD1-CB 4.36Å; L9-L108 HydrophobicContact CD1-CD2 4.13Å; V94-L108 HydrophobicContact CG2-CD1 3.65Å; I103-L108 HydrophobicContact CD1-CB 4.39Å; I103-L108 HydrophobicContact CD1-CD1 4.05Å; W105-L108 VanDerWaalsContact O-CB 3.26Å; W105-L108 WeakPolarHBondContact O-CB 3.29Å; W105-L108 PolarHBondContact O-N 3.35Å; L108-D112 HydrophobicContact CD1-CB 3.78Å; L108-V114 HydrophobicContact CD1-CG2 3.68Å; L108-V114 HydrophobicContact CD2-CG2 4.41Å; L108-P123 HydrophobicContact CD2-CB 3.99Å; L108-P123 HydrophobicContact CD2-CG 4Å; L108-A124 HydrophobicContact CD2-CB 3.75Å; L108-T224 HydrophobicContact CD2-CG2 4.06Å; L108-T224 HydrophobicContact CG-CG2 4.3Å | ||
| 109 | E | 89.5 | Confident | 89.9 | Confident | 125 Ų | 125 | 51.3 Ų | 51.3 | 58% | 0.584 | 28% | 0.277 | S | S | * | . | trans | -112.5 | 159.4 | -180 | -63.3 | -174.3 | 173.9 | 0 | 0 | 112.4 | G111 D112 | E109-G111 PolarHBondContact O-N 3.3Å; E109-D112 PolarHBondContact N-OD2 2.91Å; E109-D112 WeakPolarHBondContact O-CB 3.46Å; E109-D112 PolarHBondContact O-N 3.01Å | ||
| 110 | V | 89.8 | Confident | 89.9 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 130.9 | 175.1 | 175.2 | 0 | 0 | 0 | 0 | 109.1 | L6 V225 T227 | L6-V110 HydrophobicContact CB-CG2 4.46Å; L6-V110 HydrophobicContact CD1-CB 3.96Å; L6-V110 HydrophobicContact CD1-CG1 4.2Å; L6-V110 HydrophobicContact CD1-CG2 3.98Å; L6-V110 HydrophobicContact CD2-CG2 4.37Å; L6-V110 HydrophobicContact CG-CG2 4.5Å; V110-V225 WeakPolarHBondContact CG1-O 3.3Å; V110-T227 HydrophobicContact CG2-CG2 3.79Å |
| 111 | G | 89.1 | Confident | 89.7 | Confident | 44 Ų | 44 | 50.1 Ų | 50.1 | 45% | 0.454 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -9.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E109 L223 T224 | E109-G111 PolarHBondContact O-N 3.3Å; G111-L223 WeakPolarHBondContact O-CD1 3.4Å; G111-T224 PolarHBondContact N-O 3.25Å |
| 112 | D | 91.4 | Very high | 89.7 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | trans | -66.1 | 135.3 | 173.8 | -84.7 | -19.3 | 0 | 0 | 0 | 110.9 | V94 R96 L108 E109 T224 | V94-D112 HydrophobicContact CG1-CB 3.85Å; R96-D112 IonicContact NH2-OD2 3.29Å; R96-D112 PolarHBondContact NH2-OD2 2.84Å; L108-D112 HydrophobicContact CD1-CB 3.78Å; E109-D112 PolarHBondContact N-OD2 2.91Å; E109-D112 WeakPolarHBondContact O-CB 3.46Å; E109-D112 PolarHBondContact O-N 3.01Å; D112-T224 WeakPolarHBondContact O-CB 3.46Å; D112-T224 PolarHBondContact O-N 2.95Å; D112-T224 PolarHBondContact O-OG1 2.86Å | ||
| 113 | L | 92.5 | Very high | 89.6 | Confident | 39 Ų | 39 | 40.7 Ų | 40.7 | 20% | 0.204 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 116.9 | 172.2 | -71.7 | 172.1 | 0 | 0 | 0 | 109.7 | V94 L95 L129 L223 | V94-L113 VanDerWaalsContact CA-O 3.3Å; V94-L113 WeakPolarHBondContact CA-O 3.43Å; L95-L113 HydrophobicContact CB-CB 4.03Å; L95-L113 HydrophobicContact CD2-CD1 3.9Å; L95-L113 PolarHBondContact N-O 3.45Å; L113-L129 HydrophobicContact CD2-CD1 3.55Å; L113-L223 HydrophobicContact CD2-CB 4.33Å; L113-L223 HydrophobicContact CD2-CD1 3.96Å |
| 114 | V | 92.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 135.4 | -173.7 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | T92 L93 V94 L108 V116 P123 L126 F221 G222 T224 | T92-V114 VanDerWaalsContact OG1-CG1 3.22Å; T92-V114 WeakPolarHBondContact OG1-CG1 3.42Å; L93-V114 CarbonylContact O-C 3.46Å; L93-V114 WeakPolarHBondContact O-CA 3.38Å; V94-V114 HydrophobicContact CG2-CG2 4.15Å; L108-V114 HydrophobicContact CD1-CG2 3.68Å; L108-V114 HydrophobicContact CD2-CG2 4.41Å; V114-V116 HydrophobicContact CG1-CG2 3.86Å; V114-P123 HydrophobicContact CG1-CG 4.35Å; V114-L126 HydrophobicContact CB-CD1 4.29Å; V114-L126 HydrophobicContact CB-CD2 4.44Å; V114-L126 HydrophobicContact CG1-CD1 4.47Å; V114-L126 HydrophobicContact CG2-CD2 4.15Å; V114-F221 WeakPolarHBondContact O-CA 3.48Å; V114-G222 PolarHBondContact N-O 3.27Å; V114-G222 PolarHBondContact O-N 2.73Å; V114-T224 VanDerWaalsContact CG2-OG1 3.27Å; V114-T224 WeakPolarHBondContact CG2-OG1 3.42Å |
| 115 | K | 93.2 | Very high | 89.7 | Confident | 23 Ų | 23 | 38.5 Ų | 38.5 | 10% | 0.1 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 118.7 | 165 | -178.6 | -177.4 | -168.9 | 173.2 | 0 | 108.9 | L93 W100 L117 I220 F221 G1148 | L93-K115 HydrophobicContact CB-CB 3.99Å; L93-K115 HydrophobicContact CD1-CD 4.1Å; L93-K115 HydrophobicContact CD1-CG 4.44Å; L93-K115 PolarHBondContact O-N 2.94Å; W100-K115 HydrophobicContact CD2-CB 4.27Å; W100-K115 HydrophobicContact CD2-CD 4.21Å; W100-K115 HydrophobicContact CE3-CB 3.71Å; W100-K115 HydrophobicContact CE3-CD 4.49Å; W100-K115 HydrophobicContact CH2-CB 3.83Å; W100-K115 HydrophobicContact CZ2-CB 4.37Å; W100-K115 HydrophobicContact CZ2-CD 4.46Å; W100-K115 HydrophobicContact CZ3-CB 3.46Å; W100-K115 VanDerWaalsContact CZ3-CB 3.46Å; K115-L117 HydrophobicContact CD-CD2 4.42Å; K115-L117 HydrophobicContact CG-CD2 4.41Å; K115-I220 WeakPolarHBondContact CA-O 3.4Å; K115-F221 HydrophobicContact CB-CD1 3.98Å; K115-F221 HydrophobicContact CB-CE1 3.98Å; K115-F221 HydrophobicContact CD-CE1 3.79Å; K115-F221 HydrophobicContact CG-CD1 4.03Å; K115-F221 HydrophobicContact CG-CE1 3.72Å; K115-G1148 PolarHBondContact NZ-O 3.12Å |
| 116 | V | 92.6 | Very high | 89.9 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 132 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | V114 E120 I122 L126 L214 W219 I220 | V114-V116 HydrophobicContact CG1-CG2 3.86Å; V116-E120 HydrophobicContact CG1-CB 4.07Å; V116-I122 HydrophobicContact CG1-CG1 4.38Å; V116-L126 HydrophobicContact CG2-CD1 3.94Å; V116-L214 HydrophobicContact CG1-CB 4.25Å; V116-L214 HydrophobicContact CG1-CD2 4.35Å; V116-W219 VanDerWaalsContact O-CA 3.23Å; V116-W219 WeakPolarHBondContact O-CA 3.41Å; V116-I220 HydrophobicContact CB-CD1 4.14Å; V116-I220 HydrophobicContact CB-CG1 3.76Å; V116-I220 HydrophobicContact CG2-CD1 4.37Å; V116-I220 HydrophobicContact CG2-CG1 4.32Å; V116-I220 PolarHBondContact N-O 3.22Å; V116-I220 VanDerWaalsContact N-O 3.13Å; V116-I220 PolarHBondContact O-N 2.93Å |
| 117 | L | 91.7 | Very high | 90.3 | Very high | 61 Ų | 61 | 34.3 Ų | 34.3 | 32% | 0.319 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 166.6 | 179.3 | -53.5 | 175.5 | 0 | 0 | 0 | 111.9 | L93 K115 N119 E120 L214 W219 | L93-L117 HydrophobicContact CD1-CD1 4.32Å; L93-L117 HydrophobicContact CD1-CG 4.43Å; K115-L117 HydrophobicContact CD-CD2 4.42Å; K115-L117 HydrophobicContact CG-CD2 4.41Å; L117-N119 PolarHBondContact O-N 2.82Å; L117-E120 HydrophobicContact CB-CG 4.24Å; L117-E120 WeakPolarHBondContact CB-OE2 3.45Å; L117-E120 PolarHBondContact N-OE2 3.24Å; L117-E120 WeakPolarHBondContact O-CB 3.5Å; L117-E120 PolarHBondContact O-N 2.88Å; L117-L214 WeakPolarHBondContact O-CD2 3.29Å; L117-W219 HydrophobicContact CD2-CB 4.18Å |
| 118 | S | 87.9 | Confident | 90.6 | Very high | 44 Ų | 44 | 30.6 Ų | 30.6 | 31% | 0.308 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 135.7 | 176.7 | -148.3 | 0 | 0 | 0 | 0 | 112.1 | E120 T217 K218 | S118-E120 PolarHBondContact O-N 2.88Å; S118-T217 WeakPolarHBondContact CA-O 3.44Å; S118-T217 WeakPolarHBondContact CB-O 3.33Å; S118-T217 PolarHBondContact OG-O 3.49Å; S118-K218 PolarHBondContact N-O 2.74Å |
| 119 | N | 83.8 | Confident | 90.7 | Very high | 107 Ų | 107 | 30.9 Ų | 30.9 | 57% | 0.572 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 11.7 | -177.3 | -56.6 | -61.6 | 0 | 0 | 0 | 115.9 | L117 L214 K215 | L117-N119 PolarHBondContact O-N 2.82Å; N119-L214 VanDerWaalsContact CA-O 3.27Å; N119-L214 WeakPolarHBondContact CA-O 3.36Å; N119-L214 PolarHBondContact N-O 2.85Å; N119-K215 VanDerWaalsContact OD1-CD 3.24Å; N119-K215 WeakPolarHBondContact OD1-CD 3.2Å; N119-K215 PolarHBondContact OD1-NZ 2.99Å |
| 120 | E | 86.2 | Confident | 90.8 | Very high | 74 Ų | 74 | 24.9 Ų | 24.9 | 35% | 0.346 | 15% | 0.153 | S | C | . | . | P | Polyproline II helix | trans | -90.2 | 150.5 | 171.4 | -66.4 | 180 | 164.6 | 0 | 0 | 111.6 | V116 L117 S118 L214 | V116-E120 HydrophobicContact CG1-CB 4.07Å; L117-E120 HydrophobicContact CB-CG 4.24Å; L117-E120 WeakPolarHBondContact CB-OE2 3.45Å; L117-E120 PolarHBondContact N-OE2 3.24Å; L117-E120 WeakPolarHBondContact O-CB 3.5Å; L117-E120 PolarHBondContact O-N 2.88Å; S118-E120 PolarHBondContact O-N 2.88Å; E120-L214 PolarHBondContact O-N 2.89Å; E120-L214 VanDerWaalsContact O-N 3.1Å |
| 121 | G | 85.8 | Confident | 90.9 | Very high | 35 Ų | 35 | 22.3 Ų | 22.3 | 36% | 0.361 | 14% | 0.138 | S | C | . | . | B | Isolated β-bridge | trans | -77.9 | 148 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 122 | I | 91.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -89.5 | 123 | -175.3 | -60.1 | -179.3 | 0 | 0 | 0 | 110 | V116 A124 L126 I140 I208 G211 A212 | V116-I122 HydrophobicContact CG1-CG1 4.38Å; I122-A124 VanDerWaalsContact CG2-O 3.28Å; I122-A124 WeakPolarHBondContact CG2-O 3.39Å; I122-L126 HydrophobicContact CG2-CD1 3.87Å; I122-L126 HydrophobicContact CG2-CG 4.05Å; I122-I140 HydrophobicContact CD1-CG2 4.49Å; I122-I208 HydrophobicContact CD1-CB 4.39Å; I122-I208 HydrophobicContact CD1-CG2 3.1Å; I122-I208 HydrophobicContact CG1-CG2 4.45Å; I122-I208 HydrophobicContact CG2-CG2 4.41Å; I122-G211 PolarHBondContact O-N 3.47Å; I122-A212 WeakPolarHBondContact CB-O 3.17Å; I122-A212 HydrophobicContact CD1-CB 4.17Å; I122-A212 VanDerWaalsContact CG1-O 3.27Å; I122-A212 WeakPolarHBondContact CG1-O 3.47Å; I122-A212 PolarHBondContact N-O 3.07Å |
| 123 | P | 89.6 | Confident | 90.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -72.4 | -33.6 | -168.3 | 25.6 | -34.6 | 0 | 0 | 0 | 114.2 | T92 W105 L108 V114 R210 | T92-P123 HydrophobicContact CG2-CG 4.48Å; W105-P123 HydrophobicContact CD2-CB 3.72Å; W105-P123 HydrophobicContact CE3-CB 4.26Å; W105-P123 HydrophobicContact CG-CB 4Å; W105-P123 HydrophobicContact CZ2-CB 4.02Å; L108-P123 HydrophobicContact CD2-CB 3.99Å; L108-P123 HydrophobicContact CD2-CG 4Å; V114-P123 HydrophobicContact CG1-CG 4.35Å; P123-R210 WeakPolarHBondContact O-CD 3.35Å; P123-R210 WeakPolarHBondContact O-CG 3.26Å; P123-R210 PolarHBondContact O-NE 2.93Å | ||
| 124 | A | 91.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -148.9 | 176 | -170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L9 L108 I122 L126 T224 Y226 T227 | L9-A124 HydrophobicContact CD1-CB 4.06Å; L108-A124 HydrophobicContact CD2-CB 3.75Å; I122-A124 VanDerWaalsContact CG2-O 3.28Å; I122-A124 WeakPolarHBondContact CG2-O 3.39Å; A124-L126 HydrophobicContact CB-CD2 4.33Å; A124-L126 PolarHBondContact O-N 3.04Å; A124-T224 HydrophobicContact CB-CG2 3.8Å; A124-Y226 WeakPolarHBondContact CB-O 3.42Å; A124-T227 HydrophobicContact CB-CG2 4.35Å |
| 125 | D | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 115.8 | 173.2 | -62.9 | -16.4 | 0 | 0 | 0 | 108.7 | L207 I208 L209 R210 V225 Y226 S231 K232 | D125-L207 HydrophobicContact CB-CD1 4.44Å; D125-I208 CarbonylContact C-O 3.54Å; D125-I208 WeakPolarHBondContact CA-O 3.48Å; D125-L209 WeakPolarHBondContact OD1-CA 3.47Å; D125-R210 PolarHBondContact OD1-N 2.95Å; D125-V225 PolarHBondContact O-N 2.72Å; D125-Y226 HydrophobicContact CB-CD2 4.04Å; D125-Y226 PolarHBondContact N-O 3.41Å; D125-Y226 PolarHBondContact O-N 3.05Å; D125-S231 VanDerWaalsContact OD2-CA 3.31Å; D125-S231 WeakPolarHBondContact OD2-CA 3.39Å; D125-K232 PolarHBondContact OD2-N 3.3Å |
| 126 | L | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 140.4 | -172.7 | -54.2 | -177.4 | 0 | 0 | 0 | 111.4 | V114 V116 I122 A124 I208 L223 T224 | V114-L126 HydrophobicContact CB-CD1 4.29Å; V114-L126 HydrophobicContact CB-CD2 4.44Å; V114-L126 HydrophobicContact CG1-CD1 4.47Å; V114-L126 HydrophobicContact CG2-CD2 4.15Å; V116-L126 HydrophobicContact CG2-CD1 3.94Å; I122-L126 HydrophobicContact CG2-CD1 3.87Å; I122-L126 HydrophobicContact CG2-CG 4.05Å; A124-L126 HydrophobicContact CB-CD2 4.33Å; A124-L126 PolarHBondContact O-N 3.04Å; L126-I208 PolarHBondContact N-O 3.25Å; L126-I208 PolarHBondContact O-N 2.89Å; L126-L223 CarbonylContact C-O 3.43Å; L126-L223 VanDerWaalsContact CA-O 3.29Å; L126-L223 WeakPolarHBondContact CA-O 3.43Å; L126-T224 HydrophobicContact CD2-CG2 4.38Å; L126-T224 WeakPolarHBondContact CD2-OG1 3.23Å |
| 127 | V | 94.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 124 | 165.8 | 170.4 | 0 | 0 | 0 | 0 | 109.2 | L129 F188 L202 L207 G222 L223 V225 | V127-L129 PolarHBondContact O-N 2.84Å; V127-F188 HydrophobicContact CG2-CE1 4.33Å; V127-F188 HydrophobicContact CG2-CZ 4.32Å; V127-L202 HydrophobicContact CG1-CD1 4.18Å; V127-L202 HydrophobicContact CG1-CD2 3.87Å; V127-L202 HydrophobicContact CG2-CD1 4.3Å; V127-L207 HydrophobicContact CG2-CD1 4.31Å; V127-G222 CarbonylContact O-C 3.48Å; V127-G222 WeakPolarHBondContact O-CA 3.41Å; V127-L223 HydrophobicContact CB-CB 4.48Å; V127-L223 PolarHBondContact N-O 3.36Å; V127-L223 PolarHBondContact O-N 3.41Å; V127-V225 HydrophobicContact CB-CG2 4.32Å; V127-V225 HydrophobicContact CG2-CG2 3.5Å; V127-V225 VanDerWaalsContact CG2-CG2 3.5Å |
| 128 | L | 94.3 | Very high | 89 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 117 | -178.2 | -179.1 | 58.6 | 0 | 0 | 0 | 111.5 | A136 R154 Q206 I208 I220 | L128-A136 WeakPolarHBondContact CD2-O 3.5Å; L128-R154 HydrophobicContact CD2-CB 4.14Å; L128-Q206 WeakPolarHBondContact CB-O 3.31Å; L128-Q206 PolarHBondContact N-O 3.49Å; L128-I208 HydrophobicContact CB-CD1 3.96Å; L128-I208 HydrophobicContact CB-CG1 4.36Å; L128-I208 HydrophobicContact CD1-CD1 4.03Å; L128-I208 HydrophobicContact CD2-CD1 4.32Å; L128-I208 HydrophobicContact CG-CD1 4.33Å; L128-I220 HydrophobicContact CD1-CB 3.97Å; L128-I220 HydrophobicContact CD1-CG2 3.99Å |
| 129 | L | 91.9 | Very high | 88.9 | Confident | 6 Ų | 6 | 18.6 Ų | 18.6 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -55.1 | 177 | -60.7 | 177.3 | 0 | 0 | 0 | 111.1 | L113 V127 T160 L169 I192 F221 L223 | L113-L129 HydrophobicContact CD2-CD1 3.55Å; V127-L129 PolarHBondContact O-N 2.84Å; L129-T160 HydrophobicContact CD2-CG2 4.2Å; L129-T160 CarbonylContact O-C 3.51Å; L129-T160 VanDerWaalsContact O-CB 3.24Å; L129-T160 WeakPolarHBondContact O-CB 3.37Å; L129-T160 PolarHBondContact O-OG1 2.81Å; L129-L169 HydrophobicContact CD1-CD2 4.3Å; L129-I192 HydrophobicContact CD2-CD1 4.4Å; L129-F221 PolarHBondContact N-O 3.05Å; L129-L223 HydrophobicContact CD1-CB 4.29Å |
| 130 | A | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 160.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L163 I220 F221 | A130-L163 HydrophobicContact CB-CB 4.46Å; A130-L163 WeakPolarHBondContact CB-O 3.44Å; A130-I220 WeakPolarHBondContact O-CA 3.23Å; A130-F221 HydrophobicContact CB-CD2 4.06Å; A130-F221 PolarHBondContact N-O 3.46Å; A130-F221 PolarHBondContact O-N 3.26Å |
| 131 | S | 91.5 | Very high | 88.9 | Confident | 3 Ų | 3 | 11.4 Ų | 11.4 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 164.4 | 178.9 | -174.3 | 0 | 0 | 0 | 0 | 111 | E133 M137 W219 | S131-E133 PolarHBondContact O-N 2.74Å; S131-M137 WeakPolarHBondContact CB-O 3.14Å; S131-M137 PolarHBondContact OG-O 2.75Å; S131-W219 PolarHBondContact OG-O 2.83Å |
| 132 | S | 89.5 | Confident | 88.5 | Confident | 4 Ų | 4 | 10 Ų | 10 | 3% | 0.028 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -64.3 | -21.3 | 169.9 | 64 | 0 | 0 | 0 | 0 | 114.2 | K218 W219 P1146 | S132-K218 PolarHBondContact OG-N 2.92Å; S132-W219 PolarHBondContact N-O 3.17Å; S132-W219 VanDerWaalsContact N-O 3.1Å; S132-P1146 WeakPolarHBondContact O-CD 3.45Å |
| 133 | E | 86.4 | Confident | 87.3 | Confident | 8 Ų | 8 | 10.2 Ų | 10.2 | 4% | 0.037 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -88.4 | 154.9 | 179.9 | -56.7 | -54.5 | 145.7 | 0 | 0 | 111.9 | S131 A136 M137 T217 Y1139 K1145 | S131-E133 PolarHBondContact O-N 2.74Å; E133-A136 PolarHBondContact O-N 2.91Å; E133-M137 HydrophobicContact CB-CB 4.33Å; E133-M137 WeakPolarHBondContact CB-O 3.42Å; E133-T217 HydrophobicContact CG-CG2 3.43Å; E133-T217 VanDerWaalsContact CG-CG2 3.43Å; E133-Y1139 WeakPolarHBondContact OE2-CE1 3.4Å; E133-K1145 WeakPolarHBondContact OE1-CD 3.42Å; E133-K1145 WeakPolarHBondContact OE1-CE 3.46Å; E133-K1145 IonicContact OE1-NZ 2.93Å; E133-K1145 PolarHBondContact OE1-NZ 3.39Å; E133-K1145 WeakPolarHBondContact OE2-CE 3.49Å; E133-K1145 IonicContact OE2-NZ 3.57Å |
| 134 | P | 82.1 | Confident | 86.2 | Confident | 50 Ų | 50 | 10.9 Ų | 10.9 | 33% | 0.325 | 6% | 0.058 | S | C | . | . | G | 310 helix | trans | -56 | 150.5 | 177.6 | 21.6 | -32.7 | 0 | 0 | 0 | 112 | A136 M137 A1138 | P134-A136 PolarHBondContact O-N 2.6Å; P134-M137 HydrophobicContact CB-CE 4.44Å; P134-M137 HydrophobicContact CG-CE 3.86Å; P134-M137 WeakPolarHBondContact O-CE 3.46Å; P134-M137 WeakPolarHBondContact O-CG 3.35Å; P134-M137 PolarHBondContact O-N 3.11Å; P134-A1138 HydrophobicContact CG-CB 4.21Å; P134-A1138 WeakPolarHBondContact CG-O 3.38Å |
| 135 | Q | 81.6 | Confident | 85.2 | Confident | 92 Ų | 92 | 11.4 Ų | 11.4 | 43% | 0.43 | 6% | 0.06 | S | C | . | . | G | 310 helix | trans | 58.1 | 25.9 | 179.7 | -55.6 | -176.8 | -17 | 0 | 0 | 114.9 | M137 | Q135-M137 HydrophobicContact CB-CG 4.31Å; Q135-M137 PolarHBondContact O-N 3.2Å |
| 136 | A | 85.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | 53.2 | 35.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L128 E133 P134 G156 T161 | L128-A136 WeakPolarHBondContact CD2-O 3.5Å; E133-A136 PolarHBondContact O-N 2.91Å; P134-A136 PolarHBondContact O-N 2.6Å; A136-G156 PolarHBondContact O-N 3Å; A136-T161 HydrophobicContact CB-CG2 4.27Å |
| 137 | M | 87.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 148.5 | 175.7 | -68.5 | -175.6 | -71 | 0 | 0 | 111 | S131 E133 P134 Q135 L153 R154 Q155 V1130 L1135 A1138 Y1139 | S131-M137 WeakPolarHBondContact CB-O 3.14Å; S131-M137 PolarHBondContact OG-O 2.75Å; E133-M137 HydrophobicContact CB-CB 4.33Å; E133-M137 WeakPolarHBondContact CB-O 3.42Å; P134-M137 HydrophobicContact CB-CE 4.44Å; P134-M137 HydrophobicContact CG-CE 3.86Å; P134-M137 WeakPolarHBondContact O-CE 3.46Å; P134-M137 WeakPolarHBondContact O-CG 3.35Å; P134-M137 PolarHBondContact O-N 3.11Å; Q135-M137 HydrophobicContact CB-CG 4.31Å; Q135-M137 PolarHBondContact O-N 3.2Å; M137-L153 HydrophobicContact CB-CD1 4.22Å; M137-L153 HydrophobicContact SD-CD1 4.44Å; M137-L153 HydrophobicContact SD-CD2 4.32Å; M137-R154 CarbonylContact C-O 3.42Å; M137-R154 WeakPolarHBondContact CA-O 3.27Å; M137-Q155 HydrophobicContact CG-CG 4.41Å; M137-V1130 HydrophobicContact CG-CG2 4.13Å; M137-V1130 HydrophobicContact SD-CB 4.28Å; M137-V1130 HydrophobicContact SD-CG1 4.16Å; M137-V1130 HydrophobicContact SD-CG2 3.77Å; M137-L1135 HydrophobicContact CE-CD1 4.48Å; M137-L1135 HydrophobicContact SD-CD1 4.04Å; M137-A1138 HydrophobicContact CE-CB 3.84Å; M137-Y1139 HydrophobicContact CE-CE2 3.98Å |
| 138 | C | 89.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 156 | 162.8 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | R154 L214 T217 I220 | C138-R154 PolarHBondContact N-O 3.25Å; C138-R154 PolarHBondContact O-N 3.3Å; C138-L214 HydrophobicContact CB-CD1 4.14Å; C138-T217 HydrophobicContact CB-CG2 3.84Å; C138-I220 HydrophobicContact CB-CG2 3.62Å |
| 139 | Y | 87.1 | Confident | 79.3 | Confident | 9 Ų | 9 | 17.2 Ų | 17.2 | 4% | 0.035 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.4 | 172.6 | -54.7 | -87.9 | 0 | 0 | 0 | 108.9 | L151 K152 L153 K215 N216 T217 L1135 Y1139 | Y139-L151 HydrophobicContact CD1-CB 4.39Å; Y139-K152 WeakPolarHBondContact CA-O 3.45Å; Y139-L153 HydrophobicContact CD1-CD1 3.71Å; Y139-L153 HydrophobicContact CE1-CD1 3.49Å; Y139-L153 VanDerWaalsContact CE1-CD1 3.49Å; Y139-L153 HydrophobicContact CG-CD1 4.31Å; Y139-K215 WeakPolarHBondContact CB-O 3.5Å; Y139-K215 PolarHBondContact O-N 3.16Å; Y139-N216 HydrophobicContact CD2-CB 3.65Å; Y139-N216 HydrophobicContact CE2-CB 4.24Å; Y139-N216 HydrophobicContact CG-CB 4.2Å; Y139-T217 HydrophobicContact CD2-CG2 3.95Å; Y139-L1135 WeakPolarHBondContact OH-CD1 3.19Å; Y139-Y1139 WeakPolarHBondContact CE2-OH 3.34Å; Y139-Y1139 PolarHBondContact OH-OH 2.78Å |
| 140 | I | 87.8 | Confident | 78.2 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141.2 | 174.6 | 63 | 167.7 | 0 | 0 | 0 | 108.5 | I122 T142 K152 R154 I208 A212 S213 L214 | I122-I140 HydrophobicContact CD1-CG2 4.49Å; I140-T142 HydrophobicContact CD1-CG2 3.7Å; I140-T142 HydrophobicContact CG1-CG2 4Å; I140-K152 HydrophobicContact CG1-CB 4.06Å; I140-K152 WeakPolarHBondContact CG1-O 3.35Å; I140-K152 PolarHBondContact N-O 3.44Å; I140-K152 PolarHBondContact O-N 3.48Å; I140-R154 HydrophobicContact CD1-CG 3.73Å; I140-R154 HydrophobicContact CG1-CG 4Å; I140-I208 HydrophobicContact CD1-CG2 4.25Å; I140-I208 HydrophobicContact CG2-CG2 3.9Å; I140-A212 HydrophobicContact CB-CB 4.45Å; I140-A212 HydrophobicContact CD1-CB 4.46Å; I140-S213 WeakPolarHBondContact CA-O 3.35Å; I140-L214 HydrophobicContact CG2-CD1 4.34Å |
| 141 | E | 81.8 | Confident | 77.5 | Confident | 29 Ų | 29 | 18.9 Ų | 18.9 | 14% | 0.136 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 120.2 | 170.1 | 170.5 | -178.5 | -121.2 | 0 | 0 | 107.7 | L151 A212 S213 K215 | E141-L151 HydrophobicContact CB-CD2 3.72Å; E141-L151 HydrophobicContact CG-CD2 4.48Å; E141-A212 WeakPolarHBondContact O-CA 3.23Å; E141-A212 WeakPolarHBondContact O-CB 3.5Å; E141-S213 WeakPolarHBondContact CB-OG 3.48Å; E141-S213 PolarHBondContact N-O 3.13Å; E141-S213 PolarHBondContact O-N 2.89Å; E141-S213 VanDerWaalsContact O-N 3.16Å; E141-S213 PolarHBondContact OE2-OG 2.85Å; E141-K215 HydrophobicContact CB-CG 3.72Å; E141-K215 WeakPolarHBondContact OE2-CE 3.32Å; E141-K215 IonicContact OE2-NZ 3.32Å |
| 142 | T | 76.6 | Confident | 76.9 | Confident | 4 Ų | 4 | 19.5 Ų | 19.5 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | trans | -109.4 | 13 | -178 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | I140 N144 L145 D146 K152 A212 | I140-T142 HydrophobicContact CD1-CG2 3.7Å; I140-T142 HydrophobicContact CG1-CG2 4Å; T142-N144 PolarHBondContact O-N 3.45Å; T142-L145 WeakPolarHBondContact O-CA 3.16Å; T142-L145 PolarHBondContact O-N 3.03Å; T142-D146 WeakPolarHBondContact CB-OD2 3.33Å; T142-D146 PolarHBondContact O-N 3.1Å; T142-D146 VanDerWaalsContact O-N 3.12Å; T142-D146 PolarHBondContact OG1-OD1 3Å; T142-D146 PolarHBondContact OG1-OD2 3.38Å; T142-K152 HydrophobicContact CG2-CD 4.08Å; T142-K152 HydrophobicContact CG2-CG 4.45Å; T142-K152 WeakPolarHBondContact OG1-CD 3.25Å; T142-K152 WeakPolarHBondContact OG1-CE 3.32Å; T142-A212 HydrophobicContact CG2-CB 4.38Å | ||
| 143 | S | 66 | Low | 76.6 | Confident | 5 Ų | 5 | 20 Ų | 20 | 4% | 0.035 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -52 | -35 | -179.3 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | L145 G147 E148 E788 | S143-L145 VanDerWaalsContact C-N 3.33Å; S143-L145 PolarHBondContact O-N 3.11Å; S143-G147 VanDerWaalsContact O-CA 3.24Å; S143-G147 WeakPolarHBondContact O-CA 3.42Å; S143-G147 PolarHBondContact O-N 3.34Å; S143-E148 VanDerWaalsContact CA-O 3.26Å; S143-E148 WeakPolarHBondContact CA-O 3.45Å; S143-E148 WeakPolarHBondContact CB-O 3.46Å; S143-E148 PolarHBondContact N-O 3.28Å; S143-E788 WeakPolarHBondContact CB-OE2 3.36Å; S143-E788 PolarHBondContact OG-OE2 3.42Å |
| 144 | N | 67.4 | Low | 76.7 | Confident | 15 Ų | 15 | 21.2 Ų | 21.2 | 8% | 0.08 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.6 | -30.6 | 173.5 | -74.1 | -36 | 0 | 0 | 0 | 114.3 | T142 G211 A769 N770 E788 G789 | T142-N144 PolarHBondContact O-N 3.45Å; N144-G211 PolarHBondContact ND2-O 3.15Å; N144-A769 WeakPolarHBondContact O-CA 3.39Å; N144-A769 WeakPolarHBondContact O-CB 3.45Å; N144-A769 PolarHBondContact O-N 2.82Å; N144-N770 PolarHBondContact O-N 2.95Å; N144-E788 PolarHBondContact ND2-O 3.04Å; N144-E788 PolarHBondContact OD1-O 2.89Å; N144-G789 WeakPolarHBondContact OD1-CA 3.16Å |
| 145 | L | 71.2 | Confident | 76.9 | Confident | 10 Ų | 10 | 20.7 Ų | 20.7 | 5% | 0.052 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -95.2 | -45.2 | -172.5 | -56.5 | -176.6 | 0 | 0 | 0 | 113.5 | T142 S143 L209 A212 V233 | T142-L145 WeakPolarHBondContact O-CA 3.16Å; T142-L145 PolarHBondContact O-N 3.03Å; S143-L145 VanDerWaalsContact C-N 3.33Å; S143-L145 PolarHBondContact O-N 3.11Å; L145-L209 HydrophobicContact CD1-CB 3.74Å; L145-L209 HydrophobicContact CD1-CD1 3.97Å; L145-L209 HydrophobicContact CD1-CG 4.49Å; L145-A212 HydrophobicContact CD1-CB 4.43Å; L145-V233 HydrophobicContact CD1-CG2 4.43Å; L145-V233 HydrophobicContact CD2-CB 4.4Å; L145-V233 HydrophobicContact CD2-CG1 4.08Å; L145-V233 HydrophobicContact CD2-CG2 3.39Å |
| 146 | D | 67.9 | Low | 77.2 | Confident | 30 Ų | 30 | 16.4 Ų | 16.4 | 16% | 0.16 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -116.3 | -19.6 | -174.3 | 50.1 | 31.3 | 0 | 0 | 0 | 113.3 | T142 E148 K152 N770 | T142-D146 WeakPolarHBondContact CB-OD2 3.33Å; T142-D146 PolarHBondContact O-N 3.1Å; T142-D146 VanDerWaalsContact O-N 3.12Å; T142-D146 PolarHBondContact OG1-OD1 3Å; T142-D146 PolarHBondContact OG1-OD2 3.38Å; D146-E148 VanDerWaalsContact C-N 3.33Å; D146-E148 HydrophobicContact CB-CG 4.45Å; D146-E148 WeakPolarHBondContact OD1-CB 3.26Å; D146-E148 PolarHBondContact OD1-N 3.45Å; D146-K152 VanDerWaalsContact OD2-CE 3.27Å; D146-K152 WeakPolarHBondContact OD2-CE 3.42Å; D146-K152 IonicContact OD2-NZ 3.57Å; D146-K152 PolarHBondContact OD2-NZ 2.93Å; D146-N770 PolarHBondContact O-ND2 2.97Å |
| 147 | G | 58.3 | Low | 77.4 | Confident | 6 Ų | 6 | 17 Ų | 17 | 6% | 0.062 | 9% | 0.086 | C | C | . | . | trans | 82.3 | 9.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | S143 T369 N770 | S143-G147 VanDerWaalsContact O-CA 3.24Å; S143-G147 WeakPolarHBondContact O-CA 3.42Å; S143-G147 PolarHBondContact O-N 3.34Å; G147-T369 WeakPolarHBondContact O-CG2 3.2Å; G147-T369 PolarHBondContact O-OG1 2.95Å; G147-N770 WeakPolarHBondContact CA-ND2 3.3Å; G147-N770 PolarHBondContact N-ND2 3Å | ||
| 148 | E | 64.2 | Low | 77.2 | Confident | 61 Ų | 61 | 21.8 Ų | 21.8 | 29% | 0.285 | 12% | 0.117 | S | C | . | . | trans | -80.2 | 130.7 | 172.3 | -64.9 | 178.4 | -152.3 | 0 | 0 | 109.4 | S143 D146 N150 K152 | S143-E148 VanDerWaalsContact CA-O 3.26Å; S143-E148 WeakPolarHBondContact CA-O 3.45Å; S143-E148 WeakPolarHBondContact CB-O 3.46Å; S143-E148 PolarHBondContact N-O 3.28Å; D146-E148 VanDerWaalsContact C-N 3.33Å; D146-E148 HydrophobicContact CB-CG 4.45Å; D146-E148 WeakPolarHBondContact OD1-CB 3.26Å; D146-E148 PolarHBondContact OD1-N 3.45Å; E148-N150 VanDerWaalsContact C-N 3.32Å; E148-K152 VanDerWaalsContact CD-NZ 3.32Å; E148-K152 IonicContact OE1-NZ 3.52Å; E148-K152 PolarHBondContact OE1-NZ 3.18Å; E148-K152 WeakPolarHBondContact OE2-CE 3.47Å; E148-K152 IonicContact OE2-NZ 3.19Å; E148-K152 PolarHBondContact OE2-NZ 2.89Å | ||
| 149 | T | 60.4 | Low | 77.1 | Confident | 27 Ų | 27 | 24.5 Ų | 24.5 | 17% | 0.166 | 13% | 0.133 | C | C | . | . | trans | -82.4 | -12.9 | 177.7 | 50.2 | 0 | 0 | 0 | 0 | 113.4 | T369 N375 | T149-T369 HydrophobicContact CG2-CG2 3.24Å; T149-N375 HydrophobicContact CG2-CB 4.04Å | ||
| 150 | N | 68.4 | Low | 77.1 | Confident | 17 Ų | 17 | 24.1 Ų | 24.1 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -73.4 | 141.1 | -178.3 | -58 | -41.3 | 0 | 0 | 0 | 109.7 | E148 K152 | E148-N150 VanDerWaalsContact C-N 3.32Å; N150-K152 PolarHBondContact O-N 3.1Å |
| 151 | L | 77.5 | Confident | 77 | Confident | 24 Ų | 24 | 26 Ų | 26 | 13% | 0.126 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 118.6 | 171.2 | -64.4 | 178.3 | 0 | 0 | 0 | 109 | Y139 E141 K215 N216 | Y139-L151 HydrophobicContact CD1-CB 4.39Å; E141-L151 HydrophobicContact CB-CD2 3.72Å; E141-L151 HydrophobicContact CG-CD2 4.48Å; L151-K215 HydrophobicContact CD1-CB 4.34Å; L151-K215 HydrophobicContact CD2-CB 3.74Å; L151-K215 HydrophobicContact CD2-CG 3.94Å; L151-N216 WeakPolarHBondContact CD1-ND2 3.42Å |
| 152 | K | 79.2 | Confident | 77.2 | Confident | 17 Ų | 17 | 30 Ų | 30 | 7% | 0.074 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 132 | 177.5 | -63.6 | -166.5 | 176 | -175.1 | 0 | 109.8 | Y139 I140 T142 D146 E148 N150 | Y139-K152 WeakPolarHBondContact CA-O 3.45Å; I140-K152 HydrophobicContact CG1-CB 4.06Å; I140-K152 WeakPolarHBondContact CG1-O 3.35Å; I140-K152 PolarHBondContact N-O 3.44Å; I140-K152 PolarHBondContact O-N 3.48Å; T142-K152 HydrophobicContact CG2-CD 4.08Å; T142-K152 HydrophobicContact CG2-CG 4.45Å; T142-K152 WeakPolarHBondContact OG1-CD 3.25Å; T142-K152 WeakPolarHBondContact OG1-CE 3.32Å; D146-K152 VanDerWaalsContact OD2-CE 3.27Å; D146-K152 WeakPolarHBondContact OD2-CE 3.42Å; D146-K152 IonicContact OD2-NZ 3.57Å; D146-K152 PolarHBondContact OD2-NZ 2.93Å; E148-K152 VanDerWaalsContact CD-NZ 3.32Å; E148-K152 IonicContact OE1-NZ 3.52Å; E148-K152 PolarHBondContact OE1-NZ 3.18Å; E148-K152 WeakPolarHBondContact OE2-CE 3.47Å; E148-K152 IonicContact OE2-NZ 3.19Å; E148-K152 PolarHBondContact OE2-NZ 2.89Å; N150-K152 PolarHBondContact O-N 3.1Å |
| 153 | L | 83.7 | Confident | 77.6 | Confident | 15 Ų | 15 | 30 Ų | 30 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.3 | 177.1 | -171.8 | 77 | 0 | 0 | 0 | 110.6 | M137 Y139 V1130 L1135 | M137-L153 HydrophobicContact CB-CD1 4.22Å; M137-L153 HydrophobicContact SD-CD1 4.44Å; M137-L153 HydrophobicContact SD-CD2 4.32Å; Y139-L153 HydrophobicContact CD1-CD1 3.71Å; Y139-L153 HydrophobicContact CE1-CD1 3.49Å; Y139-L153 VanDerWaalsContact CE1-CD1 3.49Å; Y139-L153 HydrophobicContact CG-CD1 4.31Å; L153-V1130 HydrophobicContact CD2-CB 3.43Å; L153-V1130 VanDerWaalsContact CD2-CB 3.43Å; L153-V1130 HydrophobicContact CD2-CG2 3.64Å; L153-L1135 HydrophobicContact CD1-CD1 4.39Å; L153-L1135 HydrophobicContact CD2-CD1 4.13Å |
| 154 | R | 87.2 | Confident | 78.6 | Confident | 32 Ų | 32 | 32.6 Ų | 32.6 | 12% | 0.121 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 151.5 | 170.8 | -60.7 | -67 | 175.7 | 179.7 | -7 | 109.8 | L128 M137 C138 I140 P204 T205 I208 | L128-R154 HydrophobicContact CD2-CB 4.14Å; M137-R154 CarbonylContact C-O 3.42Å; M137-R154 WeakPolarHBondContact CA-O 3.27Å; C138-R154 PolarHBondContact N-O 3.25Å; C138-R154 PolarHBondContact O-N 3.3Å; I140-R154 HydrophobicContact CD1-CG 3.73Å; I140-R154 HydrophobicContact CG1-CG 4Å; R154-P204 PolarHBondContact NH1-O 3.26Å; R154-T205 WeakPolarHBondContact CB-O 3.49Å; R154-T205 WeakPolarHBondContact CD-O 3.32Å; R154-I208 HydrophobicContact CG-CG1 4.41Å |
| 155 | Q | 87.5 | Confident | 79.4 | Confident | 40 Ų | 40 | 35 Ų | 35 | 19% | 0.187 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 124.4 | -178.9 | -169.8 | -176.8 | 18.8 | 0 | 0 | 109.7 | M137 T205 Q206 A1129 V1130 | M137-Q155 HydrophobicContact CG-CG 4.41Å; Q155-T205 PolarHBondContact N-O 3.22Å; Q155-T205 VanDerWaalsContact N-O 3.1Å; Q155-Q206 WeakPolarHBondContact O-CG 3.46Å; Q155-A1129 HydrophobicContact CB-CB 3.83Å; Q155-V1130 HydrophobicContact CB-CG2 4.38Å; Q155-V1130 HydrophobicContact CG-CG2 4.34Å |
| 156 | G | 88.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | trans | -68.8 | 177.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A136 | A136-G156 PolarHBondContact O-N 3Š| ||
| 157 | L | 87.7 | Confident | 80.6 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | trans | -72.9 | 140.1 | 175.6 | -70.6 | 169.5 | 0 | 0 | 0 | 110.7 | V159 T160 T161 I192 H200 L202 Q206 | L157-V159 PolarHBondContact O-N 3.25Å; L157-V159 VanDerWaalsContact O-N 3.14Å; L157-T160 HydrophobicContact CB-CG2 4.47Å; L157-T160 PolarHBondContact O-N 2.98Å; L157-T160 VanDerWaalsContact O-N 3.09Å; L157-T160 PolarHBondContact O-OG1 3.13Å; L157-T161 PolarHBondContact O-N 3.09Å; L157-T161 PolarHBondContact O-OG1 3.07Å; L157-I192 HydrophobicContact CD1-CG2 3.28Å; L157-H200 HydrophobicContact CD1-CB 4.07Å; L157-H200 HydrophobicContact CD2-CB 4.36Å; L157-L202 HydrophobicContact CD1-CD2 3.77Å; L157-L202 HydrophobicContact CG-CD2 4.26Å; L157-Q206 HydrophobicContact CD2-CG 4.37Å; L157-Q206 HydrophobicContact CG-CG 4.29Å | ||
| 158 | P | 85.1 | Confident | 81.8 | Confident | 101 Ų | 101 | 38.6 Ų | 38.6 | 66% | 0.656 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -55.8 | -32.5 | 174.4 | -27 | 34.8 | 0 | 0 | 0 | 112.9 | T161 | P158-T161 WeakPolarHBondContact CA-OG1 3.37Å; P158-T161 WeakPolarHBondContact O-CB 3.46Å; P158-T161 PolarHBondContact O-N 2.97Å; P158-T161 PolarHBondContact O-OG1 2.85Å |
| 159 | V | 86.3 | Confident | 82.8 | Confident | 56 Ų | 56 | 35.9 Ų | 35.9 | 34% | 0.339 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -68.8 | -33.3 | -179.4 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | L157 H162 T194 | L157-V159 PolarHBondContact O-N 3.25Å; L157-V159 VanDerWaalsContact O-N 3.14Å; V159-H162 PolarHBondContact O-CE1 3.38Å; V159-H162 PolarHBondContact O-ND1 2.6Å; V159-T194 HydrophobicContact CG1-CG2 4.45Å |
| 160 | T | 87 | Confident | 83.9 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -92.3 | -2.8 | -178 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | L129 L157 H162 L163 F172 | L129-T160 HydrophobicContact CD2-CG2 4.2Å; L129-T160 CarbonylContact O-C 3.51Å; L129-T160 VanDerWaalsContact O-CB 3.24Å; L129-T160 WeakPolarHBondContact O-CB 3.37Å; L129-T160 PolarHBondContact O-OG1 2.81Å; L157-T160 HydrophobicContact CB-CG2 4.47Å; L157-T160 PolarHBondContact O-N 2.98Å; L157-T160 VanDerWaalsContact O-N 3.09Å; L157-T160 PolarHBondContact O-OG1 3.13Å; T160-H162 PolarHBondContact O-N 3.43Å; T160-H162 VanDerWaalsContact O-N 3.16Å; T160-L163 HydrophobicContact CG2-CD1 4.17Å; T160-L163 WeakPolarHBondContact O-CB 3.33Å; T160-L163 WeakPolarHBondContact O-CG 3.41Å; T160-L163 PolarHBondContact O-N 3.4Å; T160-L163 VanDerWaalsContact O-N 3.14Å; T160-F172 HydrophobicContact CG2-CE1 4.27Å; T160-F172 HydrophobicContact CG2-CE2 4.45Å; T160-F172 HydrophobicContact CG2-CZ 3.83Å |
| 161 | T | 85 | Confident | 84.6 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 25% | 0.245 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -27.2 | -174.2 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | A136 L157 P158 L163 | A136-T161 HydrophobicContact CB-CG2 4.27Å; L157-T161 PolarHBondContact O-N 3.09Å; L157-T161 PolarHBondContact O-OG1 3.07Å; P158-T161 WeakPolarHBondContact CA-OG1 3.37Å; P158-T161 WeakPolarHBondContact O-CB 3.46Å; P158-T161 PolarHBondContact O-N 2.97Å; P158-T161 PolarHBondContact O-OG1 2.85Å; T161-L163 VanDerWaalsContact C-N 3.31Å; T161-L163 PolarHBondContact O-N 2.76Å |
| 162 | H | 86.3 | Confident | 85 | Confident | 112 Ų | 112 | 42 Ų | 42 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -10.3 | -178.7 | 67.4 | -83.4 | 0 | 0 | 0 | 113.9 | V159 T160 L164 E168 | V159-H162 PolarHBondContact O-CE1 3.38Å; V159-H162 PolarHBondContact O-ND1 2.6Å; T160-H162 PolarHBondContact O-N 3.43Å; T160-H162 VanDerWaalsContact O-N 3.16Å; H162-L164 VanDerWaalsContact C-N 3.27Å; H162-L164 PolarHBondContact O-N 3.25Å; H162-E168 VanDerWaalsContact O-OE2 3.12Å |
| 163 | L | 85.8 | Confident | 85.3 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | trans | -76.8 | 73.7 | -177.7 | -58 | 174.2 | 0 | 0 | 0 | 110.6 | A130 T160 T161 E168 L169 F172 F221 | A130-L163 HydrophobicContact CB-CB 4.46Å; A130-L163 WeakPolarHBondContact CB-O 3.44Å; T160-L163 HydrophobicContact CG2-CD1 4.17Å; T160-L163 WeakPolarHBondContact O-CB 3.33Å; T160-L163 WeakPolarHBondContact O-CG 3.41Å; T160-L163 PolarHBondContact O-N 3.4Å; T160-L163 VanDerWaalsContact O-N 3.14Å; T161-L163 VanDerWaalsContact C-N 3.31Å; T161-L163 PolarHBondContact O-N 2.76Å; L163-E168 HydrophobicContact CD2-CB 4.02Å; L163-L169 HydrophobicContact CB-CD2 4.03Å; L163-L169 HydrophobicContact CB-CG 4.28Å; L163-L169 HydrophobicContact CD1-CD2 4.33Å; L163-F172 HydrophobicContact CD1-CB 4.13Å; L163-F172 HydrophobicContact CD1-CD1 3.94Å; L163-F172 HydrophobicContact CD1-CD2 3.87Å; L163-F172 HydrophobicContact CD1-CE1 4.29Å; L163-F172 HydrophobicContact CD1-CE2 4.24Å; L163-F172 HydrophobicContact CD1-CG 3.7Å; L163-F172 HydrophobicContact CD1-CZ 4.44Å; L163-F172 HydrophobicContact CD2-CB 4.11Å; L163-F172 HydrophobicContact CD2-CD2 4.23Å; L163-F172 HydrophobicContact CD2-CG 4.32Å; L163-F221 WeakPolarHBondContact O-CD2 3.43Å | ||
| 164 | L | 85.7 | Confident | 85.5 | Confident | 61 Ų | 61 | 47.6 Ų | 47.6 | 32% | 0.319 | 28% | 0.28 | S | S | . | . | trans | -98.1 | -15.7 | -173.6 | -60.1 | 179.2 | 0 | 0 | 0 | 112.8 | H162 E168 W219 G1148 | H162-L164 VanDerWaalsContact C-N 3.27Å; H162-L164 PolarHBondContact O-N 3.25Å; L164-E168 PolarHBondContact N-OE2 2.84Å; L164-W219 HydrophobicContact CD2-CH2 3.86Å; L164-G1148 WeakPolarHBondContact O-CA 3.49Å | ||
| 165 | T | 85 | Confident | 85.7 | Confident | 64 Ų | 64 | 50.2 Ų | 50.2 | 39% | 0.393 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -115.6 | 147 | -176.4 | -43.1 | 0 | 0 | 0 | 0 | 111.1 | G167 E168 L169 R1149 | T165-G167 PolarHBondContact O-N 3.05Å; T165-E168 PolarHBondContact N-OE2 3.13Å; T165-E168 PolarHBondContact O-N 3.01Å; T165-E168 VanDerWaalsContact O-N 3.08Å; T165-E168 PolarHBondContact OG1-OE2 3.11Å; T165-L169 PolarHBondContact O-N 3.11Å; T165-L169 VanDerWaalsContact O-N 3.1Å; T165-R1149 CarbonylContact C-O 3.57Å; T165-R1149 WeakPolarHBondContact CA-O 3.32Å; T165-R1149 VanDerWaalsContact CG2-O 3.26Å; T165-R1149 WeakPolarHBondContact CG2-O 3.45Å |
| 166 | A | 82.5 | Confident | 85.8 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.6 | -36.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | L95 W100 S170 R1149 | L95-A166 HydrophobicContact CD1-CB 3.98Å; W100-A166 HydrophobicContact CZ2-CB 4.35Å; A166-S170 WeakPolarHBondContact O-CB 3.24Å; A166-S170 PolarHBondContact O-N 2.87Å; A166-S170 PolarHBondContact O-OG 3.32Å; A166-R1149 PolarHBondContact N-O 2.83Å |
| 167 | G | 82.3 | Confident | 85.9 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 42% | 0.423 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T165 S170 S171 | T165-G167 PolarHBondContact O-N 3.05Å; G167-S170 PolarHBondContact O-N 3.37Å; G167-S170 PolarHBondContact O-OG 2.86Å; G167-S171 PolarHBondContact O-N 3.19Å; G167-S171 VanDerWaalsContact O-N 3.15Å; G167-S171 PolarHBondContact O-OG 3.19Å |
| 168 | E | 83.4 | Confident | 86 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 179.7 | -65.1 | 168.1 | 156.2 | 0 | 0 | 111 | H162 L163 L164 T165 S170 S171 F172 | H162-E168 VanDerWaalsContact O-OE2 3.12Å; L163-E168 HydrophobicContact CD2-CB 4.02Å; L164-E168 PolarHBondContact N-OE2 2.84Å; T165-E168 PolarHBondContact N-OE2 3.13Å; T165-E168 PolarHBondContact O-N 3.01Å; T165-E168 VanDerWaalsContact O-N 3.08Å; T165-E168 PolarHBondContact OG1-OE2 3.11Å; E168-S170 VanDerWaalsContact C-N 3.3Å; E168-S170 PolarHBondContact O-N 2.8Å; E168-S171 PolarHBondContact O-N 2.82Å; E168-S171 VanDerWaalsContact O-N 3.17Å; E168-S171 PolarHBondContact O-OG 3.08Å; E168-F172 PolarHBondContact O-N 2.95Å; E168-F172 VanDerWaalsContact O-N 3.15Å |
| 169 | L | 84.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.1 | -41.6 | 173.9 | -76.7 | 162.8 | 0 | 0 | 0 | 112.4 | L95 W100 L129 L163 T165 S171 F172 F221 | L95-L169 HydrophobicContact CD2-CB 3.99Å; W100-L169 HydrophobicContact CH2-CD1 4.02Å; W100-L169 HydrophobicContact CZ2-CD1 3.91Å; L129-L169 HydrophobicContact CD1-CD2 4.3Å; L163-L169 HydrophobicContact CB-CD2 4.03Å; L163-L169 HydrophobicContact CB-CG 4.28Å; L163-L169 HydrophobicContact CD1-CD2 4.33Å; T165-L169 PolarHBondContact O-N 3.11Å; T165-L169 VanDerWaalsContact O-N 3.1Å; L169-S171 VanDerWaalsContact C-N 3.26Å; L169-S171 PolarHBondContact O-N 2.67Å; L169-F172 PolarHBondContact O-N 3.34Å; L169-F221 HydrophobicContact CD1-CB 4.33Å; L169-F221 HydrophobicContact CD1-CD1 4.08Å; L169-F221 HydrophobicContact CD1-CD2 3.48Å; L169-F221 VanDerWaalsContact CD1-CD2 3.48Å; L169-F221 HydrophobicContact CD1-CE1 4.22Å; L169-F221 HydrophobicContact CD1-CE2 3.62Å; L169-F221 HydrophobicContact CD1-CG 3.72Å; L169-F221 HydrophobicContact CD1-CZ 4Å; L169-F221 HydrophobicContact CD2-CB 4.35Å; L169-F221 HydrophobicContact CD2-CD2 4.35Å; L169-F221 HydrophobicContact CG-CD2 4.28Å |
| 170 | S | 82.8 | Confident | 86.5 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 33% | 0.329 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71 | -22.1 | -179.7 | 69.5 | 0 | 0 | 0 | 0 | 114 | H98 A166 G167 E168 | H98-S170 PolarHBondContact CE1-OG 3.13Å; H98-S170 WeakPolarHBondContact ND1-CB 3.34Å; H98-S170 PolarHBondContact ND1-OG 2.84Å; A166-S170 WeakPolarHBondContact O-CB 3.24Å; A166-S170 PolarHBondContact O-N 2.87Å; A166-S170 PolarHBondContact O-OG 3.32Å; G167-S170 PolarHBondContact O-N 3.37Å; G167-S170 PolarHBondContact O-OG 2.86Å; E168-S170 VanDerWaalsContact C-N 3.3Å; E168-S170 PolarHBondContact O-N 2.8Å |
| 171 | S | 84.2 | Confident | 86.4 | Confident | 94 Ų | 94 | 58.7 Ų | 58.7 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -87.5 | -12.3 | 173.8 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | G167 E168 L169 D173 | G167-S171 PolarHBondContact O-N 3.19Å; G167-S171 VanDerWaalsContact O-N 3.15Å; G167-S171 PolarHBondContact O-OG 3.19Å; E168-S171 PolarHBondContact O-N 2.82Å; E168-S171 VanDerWaalsContact O-N 3.17Å; E168-S171 PolarHBondContact O-OG 3.08Å; L169-S171 VanDerWaalsContact C-N 3.26Å; L169-S171 PolarHBondContact O-N 2.67Å; S171-D173 PolarHBondContact O-N 2.78Å |
| 172 | F | 84.6 | Confident | 86.6 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | trans | -82.9 | 107.2 | -176.5 | -177.1 | -103 | 0 | 0 | 0 | 110.5 | T160 L163 E168 L169 A174 I192 T194 | T160-F172 HydrophobicContact CG2-CE1 4.27Å; T160-F172 HydrophobicContact CG2-CE2 4.45Å; T160-F172 HydrophobicContact CG2-CZ 3.83Å; L163-F172 HydrophobicContact CD1-CB 4.13Å; L163-F172 HydrophobicContact CD1-CD1 3.94Å; L163-F172 HydrophobicContact CD1-CD2 3.87Å; L163-F172 HydrophobicContact CD1-CE1 4.29Å; L163-F172 HydrophobicContact CD1-CE2 4.24Å; L163-F172 HydrophobicContact CD1-CG 3.7Å; L163-F172 HydrophobicContact CD1-CZ 4.44Å; L163-F172 HydrophobicContact CD2-CB 4.11Å; L163-F172 HydrophobicContact CD2-CD2 4.23Å; L163-F172 HydrophobicContact CD2-CG 4.32Å; E168-F172 PolarHBondContact O-N 2.95Å; E168-F172 VanDerWaalsContact O-N 3.15Å; L169-F172 PolarHBondContact O-N 3.34Å; F172-A174 HydrophobicContact CD1-CB 4.25Å; F172-A174 HydrophobicContact CE1-CB 3.54Å; F172-A174 HydrophobicContact CZ-CB 3.86Å; F172-I192 HydrophobicContact CE1-CD1 4.31Å; F172-T194 HydrophobicContact CE2-CG2 4.23Å; F172-T194 HydrophobicContact CZ-CG2 4.15Å | ||
| 173 | D | 87.1 | Confident | 86.4 | Confident | 119 Ų | 119 | 61.4 Ų | 61.4 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | trans | -100.9 | 125 | 175.4 | -165.5 | 7.7 | 0 | 0 | 0 | 110.5 | S171 A195 | S171-D173 PolarHBondContact O-N 2.78Å; D173-A195 PolarHBondContact O-N 3.04Å; D173-A195 VanDerWaalsContact O-N 3.12Å | ||
| 174 | A | 87.4 | Confident | 86.2 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 26% | 0.264 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 148.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F172 I192 R193 | F172-A174 HydrophobicContact CD1-CB 4.25Å; F172-A174 HydrophobicContact CE1-CB 3.54Å; F172-A174 HydrophobicContact CZ-CB 3.86Å; A174-I192 HydrophobicContact CB-CD1 3.99Å; A174-I192 HydrophobicContact CB-CG1 3.88Å; A174-R193 CarbonylContact C-O 3.41Å; A174-R193 WeakPolarHBondContact CA-O 3.37Å; A174-R193 WeakPolarHBondContact CB-O 3.37Å |
| 175 | V | 90.9 | Very high | 85.9 | Confident | 86 Ų | 86 | 65.5 Ų | 65.5 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.1 | 176.5 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | R193 | V175-R193 HydrophobicContact CB-CB 4.5Å; V175-R193 PolarHBondContact N-O 3.25Å; V175-R193 PolarHBondContact O-N 3.21Å |
| 176 | V | 90.4 | Very high | 85.5 | Confident | 40 Ų | 40 | 68.2 Ų | 68.2 | 24% | 0.242 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 121.3 | 175.6 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | V191 I192 L202 L223 | V176-V191 WeakPolarHBondContact CA-O 3.45Å; V176-I192 HydrophobicContact CG2-CB 4.1Å; V176-I192 HydrophobicContact CG2-CD1 3.89Å; V176-I192 HydrophobicContact CG2-CG1 3.76Å; V176-L202 HydrophobicContact CG1-CD1 3.93Å; V176-L223 HydrophobicContact CB-CD2 4.24Å; V176-L223 HydrophobicContact CG2-CD2 3.54Å |
| 177 | E | 90.5 | Very high | 85.6 | Confident | 95 Ų | 95 | 72.4 Ų | 72.4 | 44% | 0.444 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122.9 | 171.4 | -63.2 | 179 | 149 | 0 | 0 | 107.8 | G190 V191 R193 | E177-G190 CarbonylContact O-C 3.57Å; E177-G190 WeakPolarHBondContact O-CA 3.42Å; E177-V191 PolarHBondContact N-O 2.8Å; E177-V191 PolarHBondContact O-N 2.79Å; E177-R193 IonicContact OE1-NE 3.86Å; E177-R193 IonicContact OE2-CZ 3.85Å; E177-R193 IonicContact OE2-NE 2.65Å; E177-R193 PolarHBondContact OE2-NE 2.79Å; E177-R193 IonicContact OE2-NH2 3Å; E177-R193 PolarHBondContact OE2-NH2 3.35Å |
| 178 | C | 89.8 | Confident | 85.9 | Confident | 57 Ų | 57 | 70.6 Ų | 70.6 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 163.2 | 179.9 | 59.1 | 0 | 0 | 0 | 0 | 111.5 | F188 V225 | C178-F188 HydrophobicContact CB-CE2 4.12Å; C178-F188 HydrophobicContact CB-CZ 4.1Å; C178-V225 HydrophobicContact CB-CG1 4.41Å |
| 179 | E | 90.4 | Very high | 86.2 | Confident | 50 Ų | 50 | 71.8 Ų | 71.8 | 23% | 0.234 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 163.2 | 174 | 66.5 | 175 | 162.7 | 0 | 0 | 112.9 | N182 F188 V189 Y226 | E179-N182 PolarHBondContact OE1-ND2 2.71Å; E179-N182 PolarHBondContact OE2-ND2 3.01Å; E179-N182 VanDerWaalsContact OE2-ND2 3.17Å; E179-F188 WeakPolarHBondContact OE1-CA 3.2Å; E179-V189 PolarHBondContact N-O 3.04Å; E179-V189 PolarHBondContact OE1-N 2.73Å; E179-Y226 PolarHBondContact O-OH 3.29Å |
| 180 | P | 89.9 | Confident | 86.4 | Confident | 101 Ų | 101 | 71.9 Ų | 71.9 | 66% | 0.656 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 150.9 | 169.2 | 26.6 | -35.6 | 0 | 0 | 0 | 111.7 | N182 | P180-N182 PolarHBondContact O-N 3.49Š|
| 181 | P | 86.4 | Confident | 86.8 | Confident | 49 Ų | 49 | 71.7 Ų | 71.7 | 32% | 0.318 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -63 | 124.9 | -175.3 | 27.9 | -36.3 | 0 | 0 | 0 | 111.2 | Y226 E230 L235 | P181-Y226 HydrophobicContact CB-CD1 4.01Å; P181-Y226 HydrophobicContact CB-CE1 3.96Å; P181-Y226 HydrophobicContact CB-CG 4.45Å; P181-E230 HydrophobicContact CB-CB 4.19Å; P181-E230 WeakPolarHBondContact CB-O 3.49Å; P181-E230 HydrophobicContact CG-CB 4.17Å; P181-E230 HydrophobicContact CG-CG 4.33Å; P181-L235 HydrophobicContact CB-CD1 3.96Å |
| 182 | N | 87.6 | Confident | 87.2 | Confident | 36 Ų | 36 | 67.4 Ų | 67.4 | 19% | 0.193 | 36% | 0.358 | C | S | . | . | trans | -119.6 | 170.5 | -176.8 | 70.6 | 38.8 | 0 | 0 | 0 | 111.7 | E179 P180 K184 L235 | E179-N182 PolarHBondContact OE1-ND2 2.71Å; E179-N182 PolarHBondContact OE2-ND2 3.01Å; E179-N182 VanDerWaalsContact OE2-ND2 3.17Å; P180-N182 PolarHBondContact O-N 3.49Å; N182-K184 PolarHBondContact OD1-N 3.43Å; N182-K184 VanDerWaalsContact OD1-N 3.14Å; N182-K184 PolarHBondContact OD1-O 2.97Å; N182-L235 WeakPolarHBondContact O-CD1 3.37Å | ||
| 183 | R | 83 | Confident | 87.4 | Confident | 173 Ų | 173 | 69.8 Ų | 69.8 | 65% | 0.653 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -86.3 | -8.4 | -178.3 | -77.8 | -175.9 | 178.4 | 156.3 | 6.7 | 114.6 | L185 L235 N236 | R183-L185 PolarHBondContact O-N 2.76Å; R183-L235 HydrophobicContact CG-CB 4.01Å; R183-L235 PolarHBondContact NE-O 2.81Å; R183-L235 VanDerWaalsContact NE-O 3.11Å; R183-N236 WeakPolarHBondContact CB-OD1 3.17Å; R183-N236 WeakPolarHBondContact CG-OD1 3.21Å; R183-N236 PolarHBondContact O-ND2 3.48Å; R183-N236 PolarHBondContact O-OD1 3.28Å |
| 184 | K | 80.6 | Confident | 87.4 | Confident | 111 Ų | 111 | 64.9 Ų | 64.9 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | trans | -87.7 | 116.4 | -169.8 | -64.4 | -179.2 | 179.2 | -177 | 0 | 109.6 | N182 D186 E187 K232 | N182-K184 PolarHBondContact OD1-N 3.43Å; N182-K184 VanDerWaalsContact OD1-N 3.14Å; N182-K184 PolarHBondContact OD1-O 2.97Å; K184-D186 VanDerWaalsContact C-N 3.31Å; K184-D186 PolarHBondContact O-N 3.33Å; K184-E187 HydrophobicContact CB-CB 4.06Å; K184-E187 HydrophobicContact CB-CG 4.44Å; K184-E187 HydrophobicContact CD-CB 4.26Å; K184-E187 HydrophobicContact CD-CG 4.08Å; K184-E187 WeakPolarHBondContact CD-OE1 3.48Å; K184-E187 WeakPolarHBondContact CD-OE2 3.47Å; K184-E187 WeakPolarHBondContact CE-OE2 3.31Å; K184-E187 IonicContact NZ-OE1 3.42Å; K184-E187 PolarHBondContact NZ-OE1 2.81Å; K184-E187 IonicContact NZ-OE2 2.78Å; K184-E187 PolarHBondContact NZ-OE2 3.27Å; K184-K232 WeakPolarHBondContact O-CD 3.32Å; K184-K232 PolarHBondContact O-NZ 3.42Å | ||
| 185 | L | 79.9 | Confident | 87 | Confident | 40 Ų | 40 | 67.2 Ų | 67.2 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -35.3 | -176.9 | -62.6 | 171.3 | 0 | 0 | 0 | 111.8 | R183 L209 K232 | R183-L185 PolarHBondContact O-N 2.76Å; L185-L209 HydrophobicContact CB-CD1 4.25Å; L185-L209 HydrophobicContact CD2-CD1 3.9Å; L185-K232 HydrophobicContact CD2-CB 4.11Å |
| 186 | D | 77.9 | Confident | 86.4 | Confident | 121 Ų | 121 | 69.8 Ų | 69.8 | 65% | 0.647 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -6.3 | -172.4 | -53 | -46.4 | 0 | 0 | 0 | 114.9 | K184 P204 | K184-D186 VanDerWaalsContact C-N 3.31Å; K184-D186 PolarHBondContact O-N 3.33Å; D186-P204 WeakPolarHBondContact O-CB 3.28Å; D186-P204 WeakPolarHBondContact O-CG 3.36Å |
| 187 | E | 83.2 | Confident | 85.9 | Confident | 95 Ų | 95 | 70.3 Ų | 70.3 | 44% | 0.444 | 38% | 0.384 | S | S | . | . | trans | -109.5 | 121.6 | -179.7 | -73.7 | -178.6 | -156.9 | 0 | 0 | 110.4 | K184 K232 | K184-E187 HydrophobicContact CB-CB 4.06Å; K184-E187 HydrophobicContact CB-CG 4.44Å; K184-E187 HydrophobicContact CD-CB 4.26Å; K184-E187 HydrophobicContact CD-CG 4.08Å; K184-E187 WeakPolarHBondContact CD-OE1 3.48Å; K184-E187 WeakPolarHBondContact CD-OE2 3.47Å; K184-E187 WeakPolarHBondContact CE-OE2 3.31Å; K184-E187 IonicContact NZ-OE1 3.42Å; K184-E187 PolarHBondContact NZ-OE1 2.81Å; K184-E187 IonicContact NZ-OE2 2.78Å; K184-E187 PolarHBondContact NZ-OE2 3.27Å; E187-K232 PolarHBondContact O-NZ 3.19Å | ||
| 188 | F | 88.2 | Confident | 85.7 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.018 | 39% | 0.385 | C | S | . | . | trans | -146.4 | 127.8 | 171.7 | 178.6 | -111 | 0 | 0 | 0 | 108.7 | V127 C178 E179 L202 P204 L207 Y226 | V127-F188 HydrophobicContact CG2-CE1 4.33Å; V127-F188 HydrophobicContact CG2-CZ 4.32Å; C178-F188 HydrophobicContact CB-CE2 4.12Å; C178-F188 HydrophobicContact CB-CZ 4.1Å; E179-F188 WeakPolarHBondContact OE1-CA 3.2Å; F188-L202 HydrophobicContact CD1-CB 4.43Å; F188-L202 HydrophobicContact CE1-CB 3.86Å; F188-L202 HydrophobicContact CE1-CD1 4.42Å; F188-P204 HydrophobicContact CB-CG 4.33Å; F188-P204 WeakPolarHBondContact O-CD 3.47Å; F188-L207 HydrophobicContact CB-CB 4.47Å; F188-L207 HydrophobicContact CB-CD2 3.82Å; F188-L207 HydrophobicContact CD1-CB 3.99Å; F188-L207 HydrophobicContact CD1-CD1 4.43Å; F188-L207 HydrophobicContact CD1-CD2 4.29Å; F188-L207 HydrophobicContact CD1-CG 4.47Å; F188-L207 HydrophobicContact CD2-CD1 4.4Å; F188-L207 HydrophobicContact CD2-CD2 3.82Å; F188-L207 HydrophobicContact CE1-CB 4.46Å; F188-L207 HydrophobicContact CE1-CD1 4.27Å; F188-L207 HydrophobicContact CE2-CD1 4.25Å; F188-L207 HydrophobicContact CE2-CD2 4.44Å; F188-L207 HydrophobicContact CG-CB 4.23Å; F188-L207 HydrophobicContact CG-CD1 4.48Å; F188-L207 HydrophobicContact CG-CD2 3.72Å; F188-L207 HydrophobicContact CG-CG 4.37Å; F188-L207 HydrophobicContact CZ-CD1 4.18Å; F188-Y226 HydrophobicContact CD2-CE2 4.47Å; F188-Y226 HydrophobicContact CE2-CE2 4.05Å | ||
| 189 | V | 89.9 | Confident | 85.5 | Confident | 99 Ų | 99 | 69.8 Ų | 69.8 | 60% | 0.6 | 39% | 0.386 | S | S | * | . | trans | -125.2 | 120.5 | 177.1 | -175.9 | 0 | 0 | 0 | 0 | 109 | E179 | E179-V189 PolarHBondContact N-O 3.04Å; E179-V189 PolarHBondContact OE1-N 2.73Å | ||
| 190 | G | 89.5 | Confident | 85.4 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 6% | 0.062 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 174.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E177 L202 | E177-G190 CarbonylContact O-C 3.57Å; E177-G190 WeakPolarHBondContact O-CA 3.42Å; G190-L202 PolarHBondContact N-O 3.32Å; G190-L202 VanDerWaalsContact N-O 3.1Å; G190-L202 PolarHBondContact O-N 3.28Å |
| 191 | V | 92.1 | Very high | 85.4 | Confident | 43 Ų | 43 | 68.5 Ų | 68.5 | 26% | 0.261 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 130.6 | 176.8 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | V176 E177 R193 A199 H200 | V176-V191 WeakPolarHBondContact CA-O 3.45Å; E177-V191 PolarHBondContact N-O 2.8Å; E177-V191 PolarHBondContact O-N 2.79Å; V191-R193 HydrophobicContact CG1-CG 4.24Å; V191-A199 HydrophobicContact CG1-CB 3.64Å; V191-H200 WeakPolarHBondContact CA-O 3.34Å |
| 192 | I | 91.1 | Very high | 85.5 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.7 | 166.6 | -171 | 166.2 | 0 | 0 | 0 | 109.1 | L129 L157 F172 A174 V176 H200 L202 | L129-I192 HydrophobicContact CD2-CD1 4.4Å; L157-I192 HydrophobicContact CD1-CG2 3.28Å; F172-I192 HydrophobicContact CE1-CD1 4.31Å; A174-I192 HydrophobicContact CB-CD1 3.99Å; A174-I192 HydrophobicContact CB-CG1 3.88Å; V176-I192 HydrophobicContact CG2-CB 4.1Å; V176-I192 HydrophobicContact CG2-CD1 3.89Å; V176-I192 HydrophobicContact CG2-CG1 3.76Å; I192-H200 HydrophobicContact CG2-CB 3.81Å; I192-H200 PolarHBondContact N-O 3.26Å; I192-H200 PolarHBondContact O-N 2.98Å; I192-L202 HydrophobicContact CB-CD1 4.31Å; I192-L202 HydrophobicContact CG2-CD2 4.32Å; I192-L202 HydrophobicContact CG2-CG 4.48Å |
| 193 | R | 90.2 | Very high | 85.5 | Confident | 106 Ų | 106 | 68.3 Ų | 68.3 | 40% | 0.4 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 114.4 | 175.2 | -62.7 | 179.3 | -174.3 | -98.6 | 1.8 | 108.2 | A174 V175 E177 V191 I198 A199 | A174-R193 CarbonylContact C-O 3.41Å; A174-R193 WeakPolarHBondContact CA-O 3.37Å; A174-R193 WeakPolarHBondContact CB-O 3.37Å; V175-R193 HydrophobicContact CB-CB 4.5Å; V175-R193 PolarHBondContact N-O 3.25Å; V175-R193 PolarHBondContact O-N 3.21Å; E177-R193 IonicContact OE1-NE 3.86Å; E177-R193 IonicContact OE2-CZ 3.85Å; E177-R193 IonicContact OE2-NE 2.65Å; E177-R193 PolarHBondContact OE2-NE 2.79Å; E177-R193 IonicContact OE2-NH2 3Å; E177-R193 PolarHBondContact OE2-NH2 3.35Å; V191-R193 HydrophobicContact CG1-CG 4.24Å; R193-I198 WeakPolarHBondContact CA-O 3.47Å; R193-A199 HydrophobicContact CG-CB 4.41Å |
| 194 | T | 85.6 | Confident | 85.7 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 9% | 0.092 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 166.4 | 173.9 | 56.6 | 0 | 0 | 0 | 0 | 110.7 | V159 F172 D196 G197 I198 | V159-T194 HydrophobicContact CG1-CG2 4.45Å; F172-T194 HydrophobicContact CE2-CG2 4.23Å; F172-T194 HydrophobicContact CZ-CG2 4.15Å; T194-D196 PolarHBondContact O-N 2.91Å; T194-G197 WeakPolarHBondContact O-CA 3.36Å; T194-G197 PolarHBondContact O-N 2.86Å; T194-I198 PolarHBondContact N-O 2.84Å |
| 195 | A | 80.9 | Confident | 85.9 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 67% | 0.669 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -28.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D173 G197 | D173-A195 PolarHBondContact O-N 3.04Å; D173-A195 VanDerWaalsContact O-N 3.12Å; A195-G197 PolarHBondContact O-N 2.88Å |
| 196 | D | 78.1 | Confident | 86.4 | Confident | 140 Ų | 140 | 57.5 Ų | 57.5 | 75% | 0.749 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -3.7 | 175.6 | -57 | -38.3 | 0 | 0 | 0 | 113.7 | T194 I198 | T194-D196 PolarHBondContact O-N 2.91Å; D196-I198 HydrophobicContact CB-CD1 4.33Å; D196-I198 HydrophobicContact CB-CG1 4.23Å; D196-I198 PolarHBondContact O-N 3.37Å |
| 197 | G | 78.8 | Confident | 87.1 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 53% | 0.526 | 31% | 0.308 | S | S | . | . | trans | 78.1 | 2.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T194 A195 A199 | T194-G197 WeakPolarHBondContact O-CA 3.36Å; T194-G197 PolarHBondContact O-N 2.86Å; A195-G197 PolarHBondContact O-N 2.88Å; G197-A199 PolarHBondContact O-N 2.93Å | ||
| 198 | I | 85.5 | Confident | 87.5 | Confident | 91 Ų | 91 | 47.4 Ų | 47.4 | 47% | 0.467 | 29% | 0.287 | S | S | . | . | trans | -76 | 124.8 | 179.3 | -56.1 | 175.8 | 0 | 0 | 0 | 109.1 | R193 T194 D196 H200 | R193-I198 WeakPolarHBondContact CA-O 3.47Å; T194-I198 PolarHBondContact N-O 2.84Å; D196-I198 HydrophobicContact CB-CD1 4.33Å; D196-I198 HydrophobicContact CB-CG1 4.23Å; D196-I198 PolarHBondContact O-N 3.37Å; I198-H200 WeakPolarHBondContact CG2-NE2 3.05Å | ||
| 199 | A | 86 | Confident | 87.6 | Confident | 51 Ų | 51 | 47.7 Ų | 47.7 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 124.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V191 R193 G197 | V191-A199 HydrophobicContact CG1-CB 3.64Å; R193-A199 HydrophobicContact CG-CB 4.41Å; G197-A199 PolarHBondContact O-N 2.93Å |
| 200 | H | 88.1 | Confident | 87.4 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 20% | 0.199 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.8 | 172.3 | -61.5 | -76.4 | 0 | 0 | 0 | 110.2 | L157 V191 I192 I198 | L157-H200 HydrophobicContact CD1-CB 4.07Å; L157-H200 HydrophobicContact CD2-CB 4.36Å; V191-H200 WeakPolarHBondContact CA-O 3.34Å; I192-H200 HydrophobicContact CG2-CB 3.81Å; I192-H200 PolarHBondContact N-O 3.26Å; I192-H200 PolarHBondContact O-N 2.98Å; I198-H200 WeakPolarHBondContact CG2-NE2 3.05Å |
| 201 | P | 90.9 | Very high | 87 | Confident | 81 Ų | 81 | 44 Ų | 44 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.7 | 179.5 | 29.8 | -34 | 0 | 0 | 0 | 111 | ||
| 202 | L | 89.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.1 | 169.7 | -62.8 | 171.7 | 0 | 0 | 0 | 109 | V127 L157 V176 F188 G190 I192 Q206 | V127-L202 HydrophobicContact CG1-CD1 4.18Å; V127-L202 HydrophobicContact CG1-CD2 3.87Å; V127-L202 HydrophobicContact CG2-CD1 4.3Å; L157-L202 HydrophobicContact CD1-CD2 3.77Å; L157-L202 HydrophobicContact CG-CD2 4.26Å; V176-L202 HydrophobicContact CG1-CD1 3.93Å; F188-L202 HydrophobicContact CD1-CB 4.43Å; F188-L202 HydrophobicContact CE1-CB 3.86Å; F188-L202 HydrophobicContact CE1-CD1 4.42Å; G190-L202 PolarHBondContact N-O 3.32Å; G190-L202 VanDerWaalsContact N-O 3.1Å; G190-L202 PolarHBondContact O-N 3.28Å; I192-L202 HydrophobicContact CB-CD1 4.31Å; I192-L202 HydrophobicContact CG2-CD2 4.32Å; I192-L202 HydrophobicContact CG2-CG 4.48Å; L202-Q206 HydrophobicContact CD2-CB 4.09Å; L202-Q206 HydrophobicContact CD2-CG 4.17Å |
| 203 | N | 87.1 | Confident | 86.5 | Confident | 80 Ų | 80 | 42.5 Ų | 42.5 | 43% | 0.428 | 26% | 0.259 | S | S | . | . | trans | -111.9 | 174.5 | 178.5 | -64.7 | -21.2 | 0 | 0 | 0 | 109.2 | T205 Q206 | N203-T205 PolarHBondContact O-N 3.29Å; N203-T205 VanDerWaalsContact O-N 3.07Å; N203-Q206 PolarHBondContact O-N 3.31Å; N203-Q206 VanDerWaalsContact O-N 3.11Å; N203-Q206 PolarHBondContact O-OE1 3.39Å; N203-Q206 VanDerWaalsContact O-OE1 3.13Å | ||
| 204 | P | 85.8 | Confident | 86.5 | Confident | 35 Ų | 35 | 37.4 Ų | 37.4 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -55 | -28.5 | 174.4 | -23.7 | 32.1 | 0 | 0 | 0 | 113.1 | R154 D186 F188 Q206 L207 | R154-P204 PolarHBondContact NH1-O 3.26Å; D186-P204 WeakPolarHBondContact O-CB 3.28Å; D186-P204 WeakPolarHBondContact O-CG 3.36Å; F188-P204 HydrophobicContact CB-CG 4.33Å; F188-P204 WeakPolarHBondContact O-CD 3.47Å; P204-Q206 PolarHBondContact O-N 3.26Å; P204-L207 PolarHBondContact O-N 3.02Å |
| 205 | T | 85.9 | Confident | 86.5 | Confident | 43 Ų | 43 | 39.2 Ų | 39.2 | 26% | 0.264 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -64 | -23.4 | -179.5 | 53.3 | 0 | 0 | 0 | 0 | 113.9 | R154 Q155 N203 A1129 | R154-T205 WeakPolarHBondContact CB-O 3.49Å; R154-T205 WeakPolarHBondContact CD-O 3.32Å; Q155-T205 PolarHBondContact N-O 3.22Å; Q155-T205 VanDerWaalsContact N-O 3.1Å; N203-T205 PolarHBondContact O-N 3.29Å; N203-T205 VanDerWaalsContact O-N 3.07Å; T205-A1129 HydrophobicContact CG2-CB 3.87Å |
| 206 | Q | 90.5 | Very high | 86.5 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -93.1 | -12.1 | 174.2 | -68 | 76 | 28.9 | 0 | 0 | 113.3 | L128 Q155 L157 L202 N203 P204 | L128-Q206 WeakPolarHBondContact CB-O 3.31Å; L128-Q206 PolarHBondContact N-O 3.49Å; Q155-Q206 WeakPolarHBondContact O-CG 3.46Å; L157-Q206 HydrophobicContact CD2-CG 4.37Å; L157-Q206 HydrophobicContact CG-CG 4.29Å; L202-Q206 HydrophobicContact CD2-CB 4.09Å; L202-Q206 HydrophobicContact CD2-CG 4.17Å; N203-Q206 PolarHBondContact O-N 3.31Å; N203-Q206 VanDerWaalsContact O-N 3.11Å; N203-Q206 PolarHBondContact O-OE1 3.39Å; N203-Q206 VanDerWaalsContact O-OE1 3.13Å; P204-Q206 PolarHBondContact O-N 3.26Å |
| 207 | L | 91.1 | Very high | 86.9 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131.4 | -178.2 | -172.5 | 72.6 | 0 | 0 | 0 | 110.5 | D125 V127 F188 P204 L209 | D125-L207 HydrophobicContact CB-CD1 4.44Å; V127-L207 HydrophobicContact CG2-CD1 4.31Å; F188-L207 HydrophobicContact CB-CB 4.47Å; F188-L207 HydrophobicContact CB-CD2 3.82Å; F188-L207 HydrophobicContact CD1-CB 3.99Å; F188-L207 HydrophobicContact CD1-CD1 4.43Å; F188-L207 HydrophobicContact CD1-CD2 4.29Å; F188-L207 HydrophobicContact CD1-CG 4.47Å; F188-L207 HydrophobicContact CD2-CD1 4.4Å; F188-L207 HydrophobicContact CD2-CD2 3.82Å; F188-L207 HydrophobicContact CE1-CB 4.46Å; F188-L207 HydrophobicContact CE1-CD1 4.27Å; F188-L207 HydrophobicContact CE2-CD1 4.25Å; F188-L207 HydrophobicContact CE2-CD2 4.44Å; F188-L207 HydrophobicContact CG-CB 4.23Å; F188-L207 HydrophobicContact CG-CD1 4.48Å; F188-L207 HydrophobicContact CG-CD2 3.72Å; F188-L207 HydrophobicContact CG-CG 4.37Å; F188-L207 HydrophobicContact CZ-CD1 4.18Å; P204-L207 PolarHBondContact O-N 3.02Å; L207-L209 HydrophobicContact CD2-CD2 3.49Å; L207-L209 VanDerWaalsContact CD2-CD2 3.49Å; L207-L209 HydrophobicContact CG-CD2 3.95Å |
| 208 | I | 92.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.6 | 172.4 | -50.8 | 172.2 | 0 | 0 | 0 | 108.4 | I122 D125 L126 L128 I140 R154 I220 | I122-I208 HydrophobicContact CD1-CB 4.39Å; I122-I208 HydrophobicContact CD1-CG2 3.1Å; I122-I208 HydrophobicContact CG1-CG2 4.45Å; I122-I208 HydrophobicContact CG2-CG2 4.41Å; D125-I208 CarbonylContact C-O 3.54Å; D125-I208 WeakPolarHBondContact CA-O 3.48Å; L126-I208 PolarHBondContact N-O 3.25Å; L126-I208 PolarHBondContact O-N 2.89Å; L128-I208 HydrophobicContact CB-CD1 3.96Å; L128-I208 HydrophobicContact CB-CG1 4.36Å; L128-I208 HydrophobicContact CD1-CD1 4.03Å; L128-I208 HydrophobicContact CD2-CD1 4.32Å; L128-I208 HydrophobicContact CG-CD1 4.33Å; I140-I208 HydrophobicContact CD1-CG2 4.25Å; I140-I208 HydrophobicContact CG2-CG2 3.9Å; R154-I208 HydrophobicContact CG-CG1 4.41Å; I208-I220 HydrophobicContact CD1-CD1 3.51Å |
| 209 | L | 90.9 | Very high | 87.6 | Confident | 10 Ų | 10 | 28.1 Ų | 28.1 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | trans | -91.4 | 149.5 | -170.6 | -59.1 | 177 | 0 | 0 | 0 | 111.6 | D125 L145 L185 L207 A212 K232 | D125-L209 WeakPolarHBondContact OD1-CA 3.47Å; L145-L209 HydrophobicContact CD1-CB 3.74Å; L145-L209 HydrophobicContact CD1-CD1 3.97Å; L145-L209 HydrophobicContact CD1-CG 4.49Å; L185-L209 HydrophobicContact CB-CD1 4.25Å; L185-L209 HydrophobicContact CD2-CD1 3.9Å; L207-L209 HydrophobicContact CD2-CD2 3.49Å; L207-L209 VanDerWaalsContact CD2-CD2 3.49Å; L207-L209 HydrophobicContact CG-CD2 3.95Å; L209-A212 WeakPolarHBondContact O-CB 3.39Å; L209-A212 PolarHBondContact O-N 2.88Å; L209-K232 HydrophobicContact CD2-CB 4.48Å; L209-K232 HydrophobicContact CD2-CD 3.88Å; L209-K232 HydrophobicContact CD2-CG 4.39Å | ||
| 210 | R | 86.2 | Confident | 88 | Confident | 13 Ų | 13 | 25.7 Ų | 25.7 | 5% | 0.049 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 141.8 | 167.5 | -178.6 | 177.3 | 179.6 | 177.4 | 2.9 | 110.2 | P123 D125 A212 G228 S231 V233 | P123-R210 WeakPolarHBondContact O-CD 3.35Å; P123-R210 WeakPolarHBondContact O-CG 3.26Å; P123-R210 PolarHBondContact O-NE 2.93Å; D125-R210 PolarHBondContact OD1-N 2.95Å; R210-A212 VanDerWaalsContact C-N 3.25Å; R210-A212 PolarHBondContact O-N 3.29Å; R210-G228 PolarHBondContact NH1-O 3Å; R210-S231 WeakPolarHBondContact CD-OG 3.5Å; R210-V233 WeakPolarHBondContact O-CG2 3.41Å |
| 211 | G | 79.5 | Confident | 88.3 | Confident | 14 Ų | 14 | 23.8 Ų | 23.8 | 14% | 0.144 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -5.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | I122 N144 | I122-G211 PolarHBondContact O-N 3.47Å; N144-G211 PolarHBondContact ND2-O 3.15Å |
| 212 | A | 87 | Confident | 88.4 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | trans | -74.7 | 155.7 | 159 | 0 | 0 | 0 | 0 | 0 | 110.4 | I122 I140 E141 T142 L145 L209 R210 | I122-A212 WeakPolarHBondContact CB-O 3.17Å; I122-A212 HydrophobicContact CD1-CB 4.17Å; I122-A212 VanDerWaalsContact CG1-O 3.27Å; I122-A212 WeakPolarHBondContact CG1-O 3.47Å; I122-A212 PolarHBondContact N-O 3.07Å; I140-A212 HydrophobicContact CB-CB 4.45Å; I140-A212 HydrophobicContact CD1-CB 4.46Å; E141-A212 WeakPolarHBondContact O-CA 3.23Å; E141-A212 WeakPolarHBondContact O-CB 3.5Å; T142-A212 HydrophobicContact CG2-CB 4.38Å; L145-A212 HydrophobicContact CD1-CB 4.43Å; L209-A212 WeakPolarHBondContact O-CB 3.39Å; L209-A212 PolarHBondContact O-N 2.88Å; R210-A212 VanDerWaalsContact C-N 3.25Å; R210-A212 PolarHBondContact O-N 3.29Å | ||
| 213 | S | 86.6 | Confident | 88.6 | Confident | 14 Ų | 14 | 21.4 Ų | 21.4 | 10% | 0.098 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 138.4 | 174.8 | 32.7 | 0 | 0 | 0 | 0 | 109.6 | I140 E141 K215 | I140-S213 WeakPolarHBondContact CA-O 3.35Å; E141-S213 WeakPolarHBondContact CB-OG 3.48Å; E141-S213 PolarHBondContact N-O 3.13Å; E141-S213 PolarHBondContact O-N 2.89Å; E141-S213 VanDerWaalsContact O-N 3.16Å; E141-S213 PolarHBondContact OE2-OG 2.85Å; S213-K215 PolarHBondContact O-N 3.21Å |
| 214 | L | 89.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 124.2 | 174.6 | -169.4 | 70.7 | 0 | 0 | 0 | 109.7 | V116 L117 N119 E120 C138 I140 T217 I220 | V116-L214 HydrophobicContact CG1-CB 4.25Å; V116-L214 HydrophobicContact CG1-CD2 4.35Å; L117-L214 WeakPolarHBondContact O-CD2 3.29Å; N119-L214 VanDerWaalsContact CA-O 3.27Å; N119-L214 WeakPolarHBondContact CA-O 3.36Å; N119-L214 PolarHBondContact N-O 2.85Å; E120-L214 PolarHBondContact O-N 2.89Å; E120-L214 VanDerWaalsContact O-N 3.1Å; C138-L214 HydrophobicContact CB-CD1 4.14Å; I140-L214 HydrophobicContact CG2-CD1 4.34Å; L214-T217 WeakPolarHBondContact CD1-OG1 3.45Å; L214-T217 WeakPolarHBondContact CD2-OG1 3.26Å; L214-T217 WeakPolarHBondContact CG-OG1 3.39Å; L214-I220 HydrophobicContact CD1-CD1 4Å; L214-I220 HydrophobicContact CD1-CG1 4.21Å; L214-I220 HydrophobicContact CD1-CG2 3.82Å; L214-I220 HydrophobicContact CD2-CG1 4Å; L214-I220 HydrophobicContact CD2-CG2 4.17Å |
| 215 | K | 85.1 | Confident | 89.2 | Confident | 52 Ų | 52 | 16.6 Ų | 16.6 | 23% | 0.226 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 155.9 | -179.8 | -66.2 | -62.7 | -173.6 | 177.8 | 0 | 110.6 | N119 Y139 E141 L151 S213 T217 | N119-K215 VanDerWaalsContact OD1-CD 3.24Å; N119-K215 WeakPolarHBondContact OD1-CD 3.2Å; N119-K215 PolarHBondContact OD1-NZ 2.99Å; Y139-K215 WeakPolarHBondContact CB-O 3.5Å; Y139-K215 PolarHBondContact O-N 3.16Å; E141-K215 HydrophobicContact CB-CG 3.72Å; E141-K215 WeakPolarHBondContact OE2-CE 3.32Å; E141-K215 IonicContact OE2-NZ 3.32Å; L151-K215 HydrophobicContact CD1-CB 4.34Å; L151-K215 HydrophobicContact CD2-CB 3.74Å; L151-K215 HydrophobicContact CD2-CG 3.94Å; S213-K215 PolarHBondContact O-N 3.21Å; K215-T217 PolarHBondContact O-N 3.28Å; K215-T217 PolarHBondContact O-OG1 3.02Å |
| 216 | N | 81.3 | Confident | 89.5 | Confident | 32 Ų | 32 | 15 Ų | 15 | 17% | 0.171 | 8% | 0.076 | C | C | . | . | S | Bend | trans | 52.8 | 8.4 | 174.9 | -64.6 | -8.6 | 0 | 0 | 0 | 117.1 | Y139 L151 Q467 | Y139-N216 HydrophobicContact CD2-CB 3.65Å; Y139-N216 HydrophobicContact CE2-CB 4.24Å; Y139-N216 HydrophobicContact CG-CB 4.2Å; L151-N216 WeakPolarHBondContact CD1-ND2 3.42Å; N216-Q467 HydrophobicContact CB-CB 4.45Å; N216-Q467 HydrophobicContact CB-CG 4.19Å; N216-Q467 PolarHBondContact O-NE2 2.91Å; N216-Q467 PolarHBondContact O-OE1 2.85Å |
| 217 | T | 86.5 | Confident | 89.4 | Confident | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | trans | -127.8 | 139.7 | 175.2 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | S118 E133 C138 Y139 L214 K215 | S118-T217 WeakPolarHBondContact CA-O 3.44Å; S118-T217 WeakPolarHBondContact CB-O 3.33Å; S118-T217 PolarHBondContact OG-O 3.49Å; E133-T217 HydrophobicContact CG-CG2 3.43Å; E133-T217 VanDerWaalsContact CG-CG2 3.43Å; C138-T217 HydrophobicContact CB-CG2 3.84Å; Y139-T217 HydrophobicContact CD2-CG2 3.95Å; L214-T217 WeakPolarHBondContact CD1-OG1 3.45Å; L214-T217 WeakPolarHBondContact CD2-OG1 3.26Å; L214-T217 WeakPolarHBondContact CG-OG1 3.39Å; K215-T217 PolarHBondContact O-N 3.28Å; K215-T217 PolarHBondContact O-OG1 3.02Å | ||
| 218 | K | 87.6 | Confident | 88.9 | Confident | 91 Ų | 91 | 14.5 Ų | 14.5 | 40% | 0.396 | 8% | 0.075 | S | C | . | . | S | Bend | trans | -69.2 | -45.4 | -176.2 | -70.7 | -170.4 | 171.9 | -170.8 | 0 | 112.4 | S118 S132 K1145 | S118-K218 PolarHBondContact N-O 2.74Å; S132-K218 PolarHBondContact OG-N 2.92Å; K218-K1145 HydrophobicContact CD-CB 4.05Å; K218-K1145 HydrophobicContact CD-CD 4.17Å; K218-K1145 HydrophobicContact CG-CD 4.19Å |
| 219 | W | 92.3 | Very high | 88.3 | Confident | 7 Ų | 7 | 21.9 Ų | 21.9 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 158.1 | 178.9 | 55.7 | -96.5 | 0 | 0 | 0 | 111.6 | V116 L117 S131 S132 L164 F221 P1146 D1147 G1148 | V116-W219 VanDerWaalsContact O-CA 3.23Å; V116-W219 WeakPolarHBondContact O-CA 3.41Å; L117-W219 HydrophobicContact CD2-CB 4.18Å; S131-W219 PolarHBondContact OG-O 2.83Å; S132-W219 PolarHBondContact N-O 3.17Å; S132-W219 VanDerWaalsContact N-O 3.1Å; L164-W219 HydrophobicContact CD2-CH2 3.86Å; W219-F221 HydrophobicContact CD2-CZ 4.49Å; W219-F221 HydrophobicContact CE3-CD1 4.15Å; W219-F221 AromaticContact CE3-CD2 3.99Å; W219-F221 HydrophobicContact CE3-CD2 3.99Å; W219-F221 AromaticContact CE3-CE1 3.97Å; W219-F221 HydrophobicContact CE3-CE1 3.97Å; W219-F221 AromaticContact CE3-CE2 3.84Å; W219-F221 HydrophobicContact CE3-CE2 3.84Å; W219-F221 HydrophobicContact CE3-CG 4.16Å; W219-F221 AromaticContact CE3-CZ 3.83Å; W219-F221 HydrophobicContact CE3-CZ 3.83Å; W219-F221 HydrophobicContact CH2-CD2 4.09Å; W219-F221 AromaticContact CH2-CE2 3.62Å; W219-F221 HydrophobicContact CH2-CE2 3.62Å; W219-F221 HydrophobicContact CH2-CZ 4.15Å; W219-F221 HydrophobicContact CZ3-CD1 4.3Å; W219-F221 AromaticContact CZ3-CD2 3.32Å; W219-F221 HydrophobicContact CZ3-CD2 3.32Å; W219-F221 HydrophobicContact CZ3-CE1 4.18Å; W219-F221 AromaticContact CZ3-CE2 3.19Å; W219-F221 HydrophobicContact CZ3-CE2 3.19Å; W219-F221 AromaticContact CZ3-CG 3.91Å; W219-F221 HydrophobicContact CZ3-CG 3.91Å; W219-F221 AromaticContact CZ3-CZ 3.66Å; W219-F221 HydrophobicContact CZ3-CZ 3.66Å; W219-P1146 HydrophobicContact CZ2-CB 4.23Å; W219-P1146 HydrophobicContact CZ2-CG 4.02Å; W219-P1146 PolarHBondContact NE1-O 2.99Å; W219-D1147 VanDerWaalsContact NE1-C 3.29Å; W219-D1147 PolarHBondContact NE1-O 3.01Å; W219-G1148 VanDerWaalsContact CE2-CA 3.42Å |
| 220 | I | 93.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 151.9 | 168.1 | 58.2 | 166.7 | 0 | 0 | 0 | 110.4 | K115 V116 L128 A130 C138 I208 L214 | K115-I220 WeakPolarHBondContact CA-O 3.4Å; V116-I220 HydrophobicContact CB-CD1 4.14Å; V116-I220 HydrophobicContact CB-CG1 3.76Å; V116-I220 HydrophobicContact CG2-CD1 4.37Å; V116-I220 HydrophobicContact CG2-CG1 4.32Å; V116-I220 PolarHBondContact N-O 3.22Å; V116-I220 VanDerWaalsContact N-O 3.13Å; V116-I220 PolarHBondContact O-N 2.93Å; L128-I220 HydrophobicContact CD1-CB 3.97Å; L128-I220 HydrophobicContact CD1-CG2 3.99Å; A130-I220 WeakPolarHBondContact O-CA 3.23Å; C138-I220 HydrophobicContact CB-CG2 3.62Å; I208-I220 HydrophobicContact CD1-CD1 3.51Å; L214-I220 HydrophobicContact CD1-CD1 4Å; L214-I220 HydrophobicContact CD1-CG1 4.21Å; L214-I220 HydrophobicContact CD1-CG2 3.82Å; L214-I220 HydrophobicContact CD2-CG1 4Å; L214-I220 HydrophobicContact CD2-CG2 4.17Å |
| 221 | F | 93.7 | Very high | 88 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.6 | 166 | -60.8 | -42.2 | 0 | 0 | 0 | 109.1 | W100 V114 K115 L129 A130 L163 L169 W219 | W100-F221 AromaticContact CH2-CD1 3.56Å; W100-F221 HydrophobicContact CH2-CD1 3.56Å; W100-F221 AromaticContact CH2-CE1 3.47Å; W100-F221 HydrophobicContact CH2-CE1 3.47Å; W100-F221 VanDerWaalsContact CH2-CE1 3.47Å; W100-F221 HydrophobicContact CH2-CZ 4.35Å; W100-F221 AromaticContact CZ2-CD1 3.8Å; W100-F221 HydrophobicContact CZ2-CD1 3.8Å; W100-F221 AromaticContact CZ2-CE1 3.2Å; W100-F221 HydrophobicContact CZ2-CE1 3.2Å; W100-F221 AromaticContact CZ2-CZ 3.72Å; W100-F221 HydrophobicContact CZ2-CZ 3.72Å; V114-F221 WeakPolarHBondContact O-CA 3.48Å; K115-F221 HydrophobicContact CB-CD1 3.98Å; K115-F221 HydrophobicContact CB-CE1 3.98Å; K115-F221 HydrophobicContact CD-CE1 3.79Å; K115-F221 HydrophobicContact CG-CD1 4.03Å; K115-F221 HydrophobicContact CG-CE1 3.72Å; L129-F221 PolarHBondContact N-O 3.05Å; A130-F221 HydrophobicContact CB-CD2 4.06Å; A130-F221 PolarHBondContact N-O 3.46Å; A130-F221 PolarHBondContact O-N 3.26Å; L163-F221 WeakPolarHBondContact O-CD2 3.43Å; L169-F221 HydrophobicContact CD1-CB 4.33Å; L169-F221 HydrophobicContact CD1-CD1 4.08Å; L169-F221 HydrophobicContact CD1-CD2 3.48Å; L169-F221 VanDerWaalsContact CD1-CD2 3.48Å; L169-F221 HydrophobicContact CD1-CE1 4.22Å; L169-F221 HydrophobicContact CD1-CE2 3.62Å; L169-F221 HydrophobicContact CD1-CG 3.72Å; L169-F221 HydrophobicContact CD1-CZ 4Å; L169-F221 HydrophobicContact CD2-CB 4.35Å; L169-F221 HydrophobicContact CD2-CD2 4.35Å; L169-F221 HydrophobicContact CG-CD2 4.28Å; W219-F221 HydrophobicContact CD2-CZ 4.49Å; W219-F221 HydrophobicContact CE3-CD1 4.15Å; W219-F221 AromaticContact CE3-CD2 3.99Å; W219-F221 HydrophobicContact CE3-CD2 3.99Å; W219-F221 AromaticContact CE3-CE1 3.97Å; W219-F221 HydrophobicContact CE3-CE1 3.97Å; W219-F221 AromaticContact CE3-CE2 3.84Å; W219-F221 HydrophobicContact CE3-CE2 3.84Å; W219-F221 HydrophobicContact CE3-CG 4.16Å; W219-F221 AromaticContact CE3-CZ 3.83Å; W219-F221 HydrophobicContact CE3-CZ 3.83Å; W219-F221 HydrophobicContact CH2-CD2 4.09Å; W219-F221 AromaticContact CH2-CE2 3.62Å; W219-F221 HydrophobicContact CH2-CE2 3.62Å; W219-F221 HydrophobicContact CH2-CZ 4.15Å; W219-F221 HydrophobicContact CZ3-CD1 4.3Å; W219-F221 AromaticContact CZ3-CD2 3.32Å; W219-F221 HydrophobicContact CZ3-CD2 3.32Å; W219-F221 HydrophobicContact CZ3-CE1 4.18Å; W219-F221 AromaticContact CZ3-CE2 3.19Å; W219-F221 HydrophobicContact CZ3-CE2 3.19Å; W219-F221 AromaticContact CZ3-CG 3.91Å; W219-F221 HydrophobicContact CZ3-CG 3.91Å; W219-F221 AromaticContact CZ3-CZ 3.66Å; W219-F221 HydrophobicContact CZ3-CZ 3.66Å |
| 222 | G | 93.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 144.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | V114 V127 | V114-G222 PolarHBondContact N-O 3.27Å; V114-G222 PolarHBondContact O-N 2.73Å; V127-G222 CarbonylContact O-C 3.48Å; V127-G222 WeakPolarHBondContact O-CA 3.41Å |
| 223 | L | 93.8 | Very high | 87.9 | Confident | 31 Ų | 31 | 24.1 Ų | 24.1 | 16% | 0.162 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.2 | 171.3 | 178.6 | 71.6 | 0 | 0 | 0 | 110.1 | G111 L113 L126 V127 L129 V176 V225 | G111-L223 WeakPolarHBondContact O-CD1 3.4Å; L113-L223 HydrophobicContact CD2-CB 4.33Å; L113-L223 HydrophobicContact CD2-CD1 3.96Å; L126-L223 CarbonylContact C-O 3.43Å; L126-L223 VanDerWaalsContact CA-O 3.29Å; L126-L223 WeakPolarHBondContact CA-O 3.43Å; V127-L223 HydrophobicContact CB-CB 4.48Å; V127-L223 PolarHBondContact N-O 3.36Å; V127-L223 PolarHBondContact O-N 3.41Å; L129-L223 HydrophobicContact CD1-CB 4.29Å; V176-L223 HydrophobicContact CB-CD2 4.24Å; V176-L223 HydrophobicContact CG2-CD2 3.54Å; L223-V225 PolarHBondContact O-N 3.07Å |
| 224 | T | 93.5 | Very high | 87.5 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 118.8 | 179.8 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | L108 G111 D112 V114 A124 L126 T227 | L108-T224 HydrophobicContact CD2-CG2 4.06Å; L108-T224 HydrophobicContact CG-CG2 4.3Å; G111-T224 PolarHBondContact N-O 3.25Å; D112-T224 WeakPolarHBondContact O-CB 3.46Å; D112-T224 PolarHBondContact O-N 2.95Å; D112-T224 PolarHBondContact O-OG1 2.86Å; V114-T224 VanDerWaalsContact CG2-OG1 3.27Å; V114-T224 WeakPolarHBondContact CG2-OG1 3.42Å; A124-T224 HydrophobicContact CB-CG2 3.8Å; L126-T224 HydrophobicContact CD2-CG2 4.38Å; L126-T224 WeakPolarHBondContact CD2-OG1 3.23Å; T224-T227 HydrophobicContact CG2-CG2 3.44Å; T224-T227 VanDerWaalsContact CG2-CG2 3.44Å |
| 225 | V | 92.1 | Very high | 86.9 | Confident | 13 Ų | 13 | 27.3 Ų | 27.3 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -54.2 | 180 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | V110 D125 V127 C178 L223 | V110-V225 WeakPolarHBondContact CG1-O 3.3Å; D125-V225 PolarHBondContact O-N 2.72Å; V127-V225 HydrophobicContact CB-CG2 4.32Å; V127-V225 HydrophobicContact CG2-CG2 3.5Å; V127-V225 VanDerWaalsContact CG2-CG2 3.5Å; C178-V225 HydrophobicContact CB-CG1 4.41Å; L223-V225 PolarHBondContact O-N 3.07Å |
| 226 | Y | 91.3 | Very high | 86.3 | Confident | 9 Ų | 9 | 28.1 Ų | 28.1 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.7 | 179.1 | -52.2 | -59.3 | 0 | 0 | 0 | 111.8 | A124 D125 E179 P181 F188 | A124-Y226 WeakPolarHBondContact CB-O 3.42Å; D125-Y226 HydrophobicContact CB-CD2 4.04Å; D125-Y226 PolarHBondContact N-O 3.41Å; D125-Y226 PolarHBondContact O-N 3.05Å; E179-Y226 PolarHBondContact O-OH 3.29Å; P181-Y226 HydrophobicContact CB-CD1 4.01Å; P181-Y226 HydrophobicContact CB-CE1 3.96Å; P181-Y226 HydrophobicContact CB-CG 4.45Å; F188-Y226 HydrophobicContact CD2-CE2 4.47Å; F188-Y226 HydrophobicContact CE2-CE2 4.05Å |
| 227 | T | 89.1 | Confident | 85.6 | Confident | 6 Ų | 6 | 29.6 Ų | 29.6 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | trans | -115.5 | 158.4 | -177.8 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | L9 V110 A124 T224 K229 E230 | L9-T227 HydrophobicContact CD1-CG2 4.09Å; V110-T227 HydrophobicContact CG2-CG2 3.79Å; A124-T227 HydrophobicContact CB-CG2 4.35Å; T224-T227 HydrophobicContact CG2-CG2 3.44Å; T224-T227 VanDerWaalsContact CG2-CG2 3.44Å; T227-K229 PolarHBondContact O-N 3.35Å; T227-E230 PolarHBondContact O-N 3.2Å; T227-E230 VanDerWaalsContact O-N 3.09Å | ||
| 228 | G | 81.3 | Confident | 84.5 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 6% | 0.062 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | 55.6 | -125.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R210 E230 S231 M234 | R210-G228 PolarHBondContact NH1-O 3Å; G228-E230 VanDerWaalsContact C-N 3.25Å; G228-E230 PolarHBondContact O-N 3.08Å; G228-S231 PolarHBondContact O-N 3.18Å; G228-S231 PolarHBondContact O-OG 3.43Å; G228-M234 WeakPolarHBondContact O-CB 3.27Å; G228-M234 VanDerWaalsContact O-CG 3.24Å; G228-M234 WeakPolarHBondContact O-CG 3.48Å |
| 229 | K | 79.4 | Confident | 83.5 | Confident | 154 Ų | 154 | 33.4 Ų | 33.4 | 67% | 0.67 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -70.8 | -16 | -178.1 | -67 | -172.7 | 179 | -174.2 | 0 | 114.3 | T227 L235 | T227-K229 PolarHBondContact O-N 3.35Å; K229-L235 WeakPolarHBondContact O-CD2 3.09Å |
| 230 | E | 85.7 | Confident | 82.2 | Confident | 73 Ų | 73 | 36 Ų | 36 | 34% | 0.341 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -86.7 | -17.5 | -179.3 | -63.5 | -176.5 | 171.3 | 0 | 0 | 112.5 | L6 P181 T227 G228 | L6-E230 VanDerWaalsContact CD2-OE2 3.31Å; L6-E230 WeakPolarHBondContact CD2-OE2 3.29Å; P181-E230 HydrophobicContact CB-CB 4.19Å; P181-E230 WeakPolarHBondContact CB-O 3.49Å; P181-E230 HydrophobicContact CG-CB 4.17Å; P181-E230 HydrophobicContact CG-CG 4.33Å; T227-E230 PolarHBondContact O-N 3.2Å; T227-E230 VanDerWaalsContact O-N 3.09Å; G228-E230 VanDerWaalsContact C-N 3.25Å; G228-E230 PolarHBondContact O-N 3.08Å |
| 231 | S | 85.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -56.6 | 140.9 | 170.6 | 62.6 | 0 | 0 | 0 | 0 | 111 | D125 R210 G228 V233 M234 L235 | D125-S231 VanDerWaalsContact OD2-CA 3.31Å; D125-S231 WeakPolarHBondContact OD2-CA 3.39Å; R210-S231 WeakPolarHBondContact CD-OG 3.5Å; G228-S231 PolarHBondContact O-N 3.18Å; G228-S231 PolarHBondContact O-OG 3.43Å; S231-V233 PolarHBondContact O-N 3.46Å; S231-V233 VanDerWaalsContact O-N 3.13Å; S231-M234 PolarHBondContact O-N 2.8Å; S231-M234 WeakPolarHBondContact OG-CB 3.22Å; S231-M234 VanDerWaalsContact OG-CG 3.22Å; S231-M234 WeakPolarHBondContact OG-CG 3.32Å; S231-L235 PolarHBondContact O-N 2.84Å |
| 232 | K | 85.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.1 | -34.7 | -172.5 | -65.4 | -167.5 | 175 | -173.2 | 0 | 113.3 | D125 K184 L185 E187 L209 L235 N236 | D125-K232 PolarHBondContact OD2-N 3.3Å; K184-K232 WeakPolarHBondContact O-CD 3.32Å; K184-K232 PolarHBondContact O-NZ 3.42Å; L185-K232 HydrophobicContact CD2-CB 4.11Å; E187-K232 PolarHBondContact O-NZ 3.19Å; L209-K232 HydrophobicContact CD2-CB 4.48Å; L209-K232 HydrophobicContact CD2-CD 3.88Å; L209-K232 HydrophobicContact CD2-CG 4.39Å; K232-L235 PolarHBondContact O-N 3.31Å; K232-N236 PolarHBondContact O-N 2.81Å; K232-N236 PolarHBondContact O-ND2 2.74Å |
| 233 | V | 79.4 | Confident | 79.2 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 176.6 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | L145 R210 S231 N236 S237 | L145-V233 HydrophobicContact CD1-CG2 4.43Å; L145-V233 HydrophobicContact CD2-CB 4.4Å; L145-V233 HydrophobicContact CD2-CG1 4.08Å; L145-V233 HydrophobicContact CD2-CG2 3.39Å; R210-V233 WeakPolarHBondContact O-CG2 3.41Å; S231-V233 PolarHBondContact O-N 3.46Å; S231-V233 VanDerWaalsContact O-N 3.13Å; V233-N236 CarbonylContact O-C 3.54Å; V233-N236 PolarHBondContact O-N 3.09Å; V233-S237 PolarHBondContact O-N 3.42Å |
| 234 | M | 77.4 | Confident | 78.4 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.7 | -31.5 | 179.2 | -66.3 | -62.4 | 97.4 | 0 | 0 | 112.2 | F11 G228 S231 N236 S237 | F11-M234 HydrophobicContact CD2-SD 3.84Å; F11-M234 HydrophobicContact CE2-CE 4.37Å; F11-M234 HydrophobicContact CE2-SD 3.77Å; G228-M234 WeakPolarHBondContact O-CB 3.27Å; G228-M234 VanDerWaalsContact O-CG 3.24Å; G228-M234 WeakPolarHBondContact O-CG 3.48Å; S231-M234 PolarHBondContact O-N 2.8Å; S231-M234 WeakPolarHBondContact OG-CB 3.22Å; S231-M234 VanDerWaalsContact OG-CG 3.22Å; S231-M234 WeakPolarHBondContact OG-CG 3.32Å; M234-N236 PolarHBondContact O-N 2.83Å; M234-S237 WeakPolarHBondContact O-CB 3.47Å; M234-S237 PolarHBondContact O-N 2.8Å; M234-S237 VanDerWaalsContact O-N 3.16Å; M234-S237 PolarHBondContact O-OG 3.23Å |
| 235 | L | 77.8 | Confident | 78 | Confident | 50 Ų | 50 | 46.6 Ų | 46.6 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.7 | -27.5 | 171.3 | -73.6 | 178.4 | 0 | 0 | 0 | 113.5 | P181 N182 R183 K229 S231 K232 | P181-L235 HydrophobicContact CB-CD1 3.96Å; N182-L235 WeakPolarHBondContact O-CD1 3.37Å; R183-L235 HydrophobicContact CG-CB 4.01Å; R183-L235 PolarHBondContact NE-O 2.81Å; R183-L235 VanDerWaalsContact NE-O 3.11Å; K229-L235 WeakPolarHBondContact O-CD2 3.09Å; S231-L235 PolarHBondContact O-N 2.84Å; K232-L235 PolarHBondContact O-N 3.31Å |
| 236 | N | 72.3 | Confident | 77.6 | Confident | 69 Ų | 69 | 47 Ų | 47 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -90.2 | -16.4 | 173.6 | -73.5 | -36.7 | 0 | 0 | 0 | 113.2 | R183 K232 V233 M234 T238 | R183-N236 WeakPolarHBondContact CB-OD1 3.17Å; R183-N236 WeakPolarHBondContact CG-OD1 3.21Å; R183-N236 PolarHBondContact O-ND2 3.48Å; R183-N236 PolarHBondContact O-OD1 3.28Å; K232-N236 PolarHBondContact O-N 2.81Å; K232-N236 PolarHBondContact O-ND2 2.74Å; V233-N236 CarbonylContact O-C 3.54Å; V233-N236 PolarHBondContact O-N 3.09Å; M234-N236 PolarHBondContact O-N 2.83Å; N236-T238 PolarHBondContact O-N 2.91Å |
| 237 | S | 65.7 | Low | 77.4 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 43% | 0.434 | 27% | 0.267 | S | S | . | . | trans | -66.5 | 127.8 | 172.3 | 80 | 0 | 0 | 0 | 0 | 110 | V233 M234 | V233-S237 PolarHBondContact O-N 3.42Å; M234-S237 WeakPolarHBondContact O-CB 3.47Å; M234-S237 PolarHBondContact O-N 2.8Å; M234-S237 VanDerWaalsContact O-N 3.16Å; M234-S237 PolarHBondContact O-OG 3.23Å | ||
| 238 | T | 64.7 | Low | 77.2 | Confident | 77 Ų | 77 | 47.6 Ų | 47.6 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | trans | -105.1 | 138.6 | 177.4 | 32.7 | 0 | 0 | 0 | 0 | 109.4 | N236 A240 Q776 | N236-T238 PolarHBondContact O-N 2.91Å; T238-A240 PolarHBondContact O-N 3.47Å; T238-Q776 PolarHBondContact O-NE2 2.88Å; T238-Q776 PolarHBondContact O-OE1 2.98Å; T238-Q776 PolarHBondContact OG1-OE1 3.33Å | ||
| 239 | A | 65.4 | Low | 77.4 | Confident | 95 Ų | 95 | 53.4 Ų | 53.4 | 79% | 0.785 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 130.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | P241 | A239-P241 WeakPolarHBondContact O-CD 3.14Å; A239-P241 VanDerWaalsContact O-N 3.12Å |
| 240 | A | 65.2 | Low | 77.8 | Confident | 63 Ų | 63 | 49 Ų | 49 | 52% | 0.521 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 119.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | T238 | T238-A240 PolarHBondContact O-N 3.47Š|
| 241 | P | 70.5 | Confident | 77.9 | Confident | 62 Ų | 62 | 45.8 Ų | 45.8 | 40% | 0.403 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 148.7 | -176.7 | 27.1 | -33.5 | 0 | 0 | 0 | 110.9 | A239 K243 Q776 | A239-P241 WeakPolarHBondContact O-CD 3.14Å; A239-P241 VanDerWaalsContact O-N 3.12Å; P241-K243 PolarHBondContact O-N 3.31Å; P241-Q776 HydrophobicContact CG-CB 4.19Å; P241-Q776 WeakPolarHBondContact CG-O 3.29Å |
| 242 | L | 70.3 | Confident | 78 | Confident | 88 Ų | 88 | 47.1 Ų | 47.1 | 46% | 0.461 | 27% | 0.265 | S | S | . | . | trans | -71.3 | 98.8 | 170.4 | -165.9 | 88 | 0 | 0 | 0 | 109.5 | E28 R244 | E28-L242 WeakPolarHBondContact OE1-CD1 3.44Å; L242-R244 HydrophobicContact CD2-CG 4.49Å | ||
| 243 | K | 78.1 | Confident | 78.1 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 8% | 0.078 | 29% | 0.291 | C | S | . | . | trans | -77.5 | 132.8 | 174.8 | -62.6 | -178.6 | 179 | -168.7 | 0 | 109.5 | P241 L354 I775 Q776 A778 H779 D797 | P241-K243 PolarHBondContact O-N 3.31Å; K243-L354 HydrophobicContact CB-CD1 3.91Å; K243-L354 HydrophobicContact CB-CD2 3.97Å; K243-L354 HydrophobicContact CB-CG 4.48Å; K243-L354 HydrophobicContact CD-CD1 3.88Å; K243-I775 PolarHBondContact NZ-O 3.09Å; K243-Q776 WeakPolarHBondContact CE-O 3.33Å; K243-A778 VanDerWaalsContact CE-O 3.23Å; K243-A778 WeakPolarHBondContact CE-O 3.09Å; K243-A778 PolarHBondContact NZ-O 3.33Å; K243-A778 VanDerWaalsContact NZ-O 3.09Å; K243-H779 WeakPolarHBondContact CD-O 3.37Å; K243-D797 VanDerWaalsContact CD-OD2 3.28Å; K243-D797 WeakPolarHBondContact CD-OD2 3.4Å; K243-D797 WeakPolarHBondContact CE-OD2 3.47Å; K243-D797 IonicContact NZ-OD2 3.37Å; K243-D797 PolarHBondContact NZ-OD2 3.09Å | ||
| 244 | R | 76.6 | Confident | 78.6 | Confident | 89 Ų | 89 | 51.4 Ų | 51.4 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | trans | -118.1 | 133.5 | 176 | -68.6 | -175.6 | 179.8 | -179.4 | -3.9 | 108.5 | L242 | L242-R244 HydrophobicContact CD2-CG 4.49Š| ||
| 245 | S | 84.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -67.8 | 147.2 | 176.9 | 110.5 | 0 | 0 | 0 | 0 | 111.3 | V247 E248 R249 E356 E357 | S245-V247 VanDerWaalsContact C-N 3.3Å; S245-V247 PolarHBondContact OG-N 2.82Å; S245-E248 WeakPolarHBondContact O-CB 3.46Å; S245-E248 PolarHBondContact O-N 2.92Å; S245-E248 PolarHBondContact OG-N 3.39Å; S245-R249 PolarHBondContact O-N 2.89Å; S245-E356 WeakPolarHBondContact CB-OE1 3.39Å; S245-E356 PolarHBondContact OG-OE1 2.85Å; S245-E357 WeakPolarHBondContact CA-OE1 3.3Å; S245-E357 WeakPolarHBondContact CB-OE1 3.35Å | ||
| 246 | T | 85.1 | Confident | 79.7 | Confident | 23 Ų | 23 | 52.6 Ų | 52.6 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 171 | 63.2 | 0 | 0 | 0 | 0 | 111.1 | E248 R249 Q250 E357 Q360 V761 | T246-E248 VanDerWaalsContact C-N 3.3Å; T246-E248 PolarHBondContact O-N 2.82Å; T246-R249 WeakPolarHBondContact O-CB 3.32Å; T246-R249 PolarHBondContact O-N 3.46Å; T246-Q250 WeakPolarHBondContact O-CG 3.37Å; T246-Q250 PolarHBondContact O-N 3.03Å; T246-E357 WeakPolarHBondContact CA-OE1 3.13Å; T246-E357 WeakPolarHBondContact CB-OE1 3.46Å; T246-E357 PolarHBondContact N-OE1 3Å; T246-E357 PolarHBondContact OG1-OE1 3.1Å; T246-Q360 PolarHBondContact OG1-OE1 3.15Å; T246-V761 HydrophobicContact CG2-CG2 4.07Å |
| 247 | V | 86.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -39 | 175 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | S245 Q250 T251 E356 Y818 L821 I825 F902 | S245-V247 VanDerWaalsContact C-N 3.3Å; S245-V247 PolarHBondContact OG-N 2.82Å; V247-Q250 PolarHBondContact O-N 3.49Å; V247-T251 VanDerWaalsContact O-CB 3.32Å; V247-T251 WeakPolarHBondContact O-CB 3.42Å; V247-T251 PolarHBondContact O-N 2.78Å; V247-T251 PolarHBondContact O-OG1 2.77Å; V247-E356 HydrophobicContact CB-CG 3.97Å; V247-E356 HydrophobicContact CG2-CB 4.49Å; V247-E356 HydrophobicContact CG2-CG 3.83Å; V247-Y818 HydrophobicContact CG2-CD2 4.14Å; V247-Y818 HydrophobicContact CG2-CE2 3.83Å; V247-L821 HydrophobicContact CG1-CD2 4.4Å; V247-I825 HydrophobicContact CG1-CD1 3.53Å; V247-F902 HydrophobicContact CG1-CD1 4.23Å; V247-F902 HydrophobicContact CG1-CE1 3.94Å |
| 248 | E | 85.4 | Confident | 81.6 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 175.1 | -171.9 | 176.1 | 140.5 | 0 | 0 | 111.9 | S245 T246 T251 N252 R325 | S245-E248 WeakPolarHBondContact O-CB 3.46Å; S245-E248 PolarHBondContact O-N 2.92Å; S245-E248 PolarHBondContact OG-N 3.39Å; T246-E248 VanDerWaalsContact C-N 3.3Å; T246-E248 PolarHBondContact O-N 2.82Å; E248-T251 PolarHBondContact O-N 3.16Å; E248-N252 PolarHBondContact O-N 3.49Å; E248-N252 PolarHBondContact O-ND2 3.05Å; E248-N252 VanDerWaalsContact O-ND2 3.14Å; E248-R325 IonicContact OE2-CZ 3.41Å; E248-R325 IonicContact OE2-NH1 3.05Å; E248-R325 PolarHBondContact OE2-NH1 3.28Å; E248-R325 VanDerWaalsContact OE2-NH1 3.16Å; E248-R325 IonicContact OE2-NH2 3.67Å |
| 249 | R | 85.2 | Confident | 82.8 | Confident | 127 Ų | 127 | 48 Ų | 48 | 48% | 0.479 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 174 | -70.3 | 177.1 | -179.5 | 179.8 | -2.4 | 111.3 | S245 T246 N252 T253 | S245-R249 PolarHBondContact O-N 2.89Å; T246-R249 WeakPolarHBondContact O-CB 3.32Å; T246-R249 PolarHBondContact O-N 3.46Å; R249-N252 WeakPolarHBondContact O-CB 3.09Å; R249-N252 PolarHBondContact O-N 2.72Å; R249-T253 PolarHBondContact O-N 3.34Å; R249-T253 VanDerWaalsContact O-N 3.1Å; R249-T253 PolarHBondContact O-OG1 3.24Å |
| 250 | Q | 87.2 | Confident | 84 | Confident | 63 Ų | 63 | 45.3 Ų | 45.3 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.3 | -40 | 177.2 | -72.3 | 178.5 | -9 | 0 | 0 | 112.1 | T246 V247 N252 T253 Y254 F902 | T246-Q250 WeakPolarHBondContact O-CG 3.37Å; T246-Q250 PolarHBondContact O-N 3.03Å; V247-Q250 PolarHBondContact O-N 3.49Å; Q250-N252 VanDerWaalsContact C-N 3.31Å; Q250-N252 PolarHBondContact O-N 3.1Å; Q250-T253 WeakPolarHBondContact O-CA 3.5Å; Q250-T253 WeakPolarHBondContact O-CB 3.27Å; Q250-T253 PolarHBondContact O-N 3.21Å; Q250-T253 VanDerWaalsContact O-N 3.1Å; Q250-Y254 PolarHBondContact O-N 3.41Å; Q250-F902 HydrophobicContact CB-CD1 4.26Å; Q250-F902 HydrophobicContact CB-CE1 3.7Å |
| 251 | T | 88.7 | Confident | 85.2 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 174.6 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | V247 E248 T253 Y254 I255 L317 I825 F829 | V247-T251 VanDerWaalsContact O-CB 3.32Å; V247-T251 WeakPolarHBondContact O-CB 3.42Å; V247-T251 PolarHBondContact O-N 2.78Å; V247-T251 PolarHBondContact O-OG1 2.77Å; E248-T251 PolarHBondContact O-N 3.16Å; T251-T253 VanDerWaalsContact C-N 3.32Å; T251-T253 PolarHBondContact O-N 3.33Å; T251-Y254 PolarHBondContact O-N 2.62Å; T251-Y254 VanDerWaalsContact O-N 3.15Å; T251-I255 HydrophobicContact CG2-CD1 4.15Å; T251-I255 WeakPolarHBondContact O-CG1 3.24Å; T251-I255 PolarHBondContact O-N 2.99Å; T251-L317 HydrophobicContact CG2-CD2 4.11Å; T251-I825 HydrophobicContact CG2-CG2 4.13Å; T251-F829 HydrophobicContact CG2-CE2 4.28Å; T251-F829 HydrophobicContact CG2-CZ 4.01Å |
| 252 | N | 86.4 | Confident | 86.2 | Confident | 27 Ų | 27 | 42 Ų | 42 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.9 | -39.4 | 173.9 | -73.5 | -38.8 | 0 | 0 | 0 | 111.9 | E248 R249 Q250 Y254 I255 L256 | E248-N252 PolarHBondContact O-N 3.49Å; E248-N252 PolarHBondContact O-ND2 3.05Å; E248-N252 VanDerWaalsContact O-ND2 3.14Å; R249-N252 WeakPolarHBondContact O-CB 3.09Å; R249-N252 PolarHBondContact O-N 2.72Å; Q250-N252 VanDerWaalsContact C-N 3.31Å; Q250-N252 PolarHBondContact O-N 3.1Å; N252-Y254 VanDerWaalsContact C-N 3.34Å; N252-Y254 PolarHBondContact O-N 3.42Å; N252-I255 PolarHBondContact O-N 3.32Å; N252-L256 WeakPolarHBondContact O-CG 3.37Å; N252-L256 PolarHBondContact O-N 3.03Å |
| 253 | T | 88 | Confident | 87.3 | Confident | 88 Ų | 88 | 40.5 Ų | 40.5 | 54% | 0.54 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 172.5 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | R249 Q250 T251 L256 C257 | R249-T253 PolarHBondContact O-N 3.34Å; R249-T253 VanDerWaalsContact O-N 3.1Å; R249-T253 PolarHBondContact O-OG1 3.24Å; Q250-T253 WeakPolarHBondContact O-CA 3.5Å; Q250-T253 WeakPolarHBondContact O-CB 3.27Å; Q250-T253 PolarHBondContact O-N 3.21Å; Q250-T253 VanDerWaalsContact O-N 3.1Å; T251-T253 VanDerWaalsContact C-N 3.32Å; T251-T253 PolarHBondContact O-N 3.33Å; T253-L256 PolarHBondContact O-N 2.78Å; T253-C257 PolarHBondContact O-N 3.47Å |
| 254 | Y | 90.7 | Very high | 88 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 6% | 0.059 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.3 | -35.1 | 176.4 | -60.9 | -28.5 | 0 | 0 | 0 | 113.2 | Q250 T251 N252 L256 C257 L258 F902 N903 P904 F907 | Q250-Y254 PolarHBondContact O-N 3.41Å; T251-Y254 PolarHBondContact O-N 2.62Å; T251-Y254 VanDerWaalsContact O-N 3.15Å; N252-Y254 VanDerWaalsContact C-N 3.34Å; N252-Y254 PolarHBondContact O-N 3.42Å; Y254-L256 VanDerWaalsContact C-N 3.33Å; Y254-C257 WeakPolarHBondContact O-CB 3.24Å; Y254-C257 PolarHBondContact O-N 3.28Å; Y254-L258 PolarHBondContact O-N 3.12Å; Y254-F902 HydrophobicContact CD2-CE1 4.26Å; Y254-F902 HydrophobicContact CD2-CE2 4.04Å; Y254-F902 AromaticContact CD2-CZ 3.6Å; Y254-F902 HydrophobicContact CD2-CZ 3.6Å; Y254-F902 HydrophobicContact CE2-CD1 4.35Å; Y254-F902 HydrophobicContact CE2-CD2 4.26Å; Y254-F902 AromaticContact CE2-CE1 3.71Å; Y254-F902 HydrophobicContact CE2-CE1 3.71Å; Y254-F902 AromaticContact CE2-CE2 3.65Å; Y254-F902 HydrophobicContact CE2-CE2 3.65Å; Y254-F902 AromaticContact CE2-CZ 3.34Å; Y254-F902 HydrophobicContact CE2-CZ 3.34Å; Y254-N903 VanDerWaalsContact OH-C 3.23Å; Y254-P904 HydrophobicContact CE1-CB 4.35Å; Y254-P904 HydrophobicContact CE1-CG 4.3Å; Y254-P904 WeakPolarHBondContact OH-CA 3.5Å; Y254-P904 WeakPolarHBondContact OH-CD 3.48Å; Y254-P904 VanDerWaalsContact OH-N 3.12Å; Y254-F907 HydrophobicContact CD1-CD1 4.03Å; Y254-F907 HydrophobicContact CD1-CD2 4.43Å; Y254-F907 HydrophobicContact CD1-CE1 4.34Å; Y254-F907 HydrophobicContact CD1-CG 4.07Å; Y254-F907 HydrophobicContact CD2-CB 4.48Å; Y254-F907 AromaticContact CD2-CD2 3.93Å; Y254-F907 HydrophobicContact CD2-CD2 3.93Å; Y254-F907 HydrophobicContact CD2-CE2 4.43Å; Y254-F907 HydrophobicContact CD2-CG 4.18Å; Y254-F907 HydrophobicContact CE1-CB 4.3Å; Y254-F907 HydrophobicContact CE1-CD1 4.39Å; Y254-F907 HydrophobicContact CE1-CG 4.3Å; Y254-F907 HydrophobicContact CE2-CB 4.19Å; Y254-F907 HydrophobicContact CE2-CD2 4.45Å; Y254-F907 HydrophobicContact CE2-CG 4.38Å; Y254-F907 HydrophobicContact CG-CD1 4.31Å; Y254-F907 AromaticContact CG-CD2 3.93Å; Y254-F907 HydrophobicContact CG-CD2 3.93Å; Y254-F907 HydrophobicContact CG-CE1 4.47Å; Y254-F907 HydrophobicContact CG-CE2 4.11Å; Y254-F907 HydrophobicContact CG-CG 4.04Å; Y254-F907 HydrophobicContact CG-CZ 4.38Å |
| 255 | I | 88.8 | Confident | 88.8 | Confident | 17 Ų | 17 | 42.5 Ų | 42.5 | 9% | 0.087 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 170.8 | -69.8 | 167.8 | 0 | 0 | 0 | 110.2 | T251 N252 C257 L258 F259 V313 F829 | T251-I255 HydrophobicContact CG2-CD1 4.15Å; T251-I255 WeakPolarHBondContact O-CG1 3.24Å; T251-I255 PolarHBondContact O-N 2.99Å; N252-I255 PolarHBondContact O-N 3.32Å; I255-C257 VanDerWaalsContact C-N 3.32Å; I255-C257 PolarHBondContact O-N 3.49Å; I255-L258 PolarHBondContact O-N 2.94Å; I255-F259 WeakPolarHBondContact O-CB 3.09Å; I255-F259 PolarHBondContact O-N 3.18Å; I255-V313 HydrophobicContact CG2-CG1 3.95Å; I255-F829 HydrophobicContact CG1-CE1 4.04Å; I255-F829 HydrophobicContact CG1-CZ 3.89Å |
| 256 | L | 88.1 | Confident | 89.1 | Confident | 90 Ų | 90 | 42.7 Ų | 42.7 | 47% | 0.471 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.1 | -37.4 | 175.1 | -71.5 | 169.6 | 0 | 0 | 0 | 112.2 | N252 T253 Y254 F259 G260 | N252-L256 WeakPolarHBondContact O-CG 3.37Å; N252-L256 PolarHBondContact O-N 3.03Å; T253-L256 PolarHBondContact O-N 2.78Å; Y254-L256 VanDerWaalsContact C-N 3.33Å; L256-F259 WeakPolarHBondContact O-CB 3.38Å; L256-F259 PolarHBondContact O-N 3.18Å; L256-G260 PolarHBondContact O-N 3.43Å |
| 257 | C | 89.7 | Confident | 89.5 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 29% | 0.291 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 173.3 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | T253 Y254 I255 F259 G260 V261 | T253-C257 PolarHBondContact O-N 3.47Å; Y254-C257 WeakPolarHBondContact O-CB 3.24Å; Y254-C257 PolarHBondContact O-N 3.28Å; I255-C257 VanDerWaalsContact C-N 3.32Å; I255-C257 PolarHBondContact O-N 3.49Å; C257-F259 VanDerWaalsContact C-N 3.3Å; C257-F259 PolarHBondContact O-N 3.42Å; C257-G260 WeakPolarHBondContact O-CA 3.3Å; C257-G260 PolarHBondContact O-N 2.7Å; C257-G260 VanDerWaalsContact O-N 3.09Å; C257-V261 PolarHBondContact O-N 2.84Å |
| 258 | L | 89.3 | Confident | 89.9 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -35.5 | 174.9 | -73.3 | 171.6 | 0 | 0 | 0 | 112.4 | Y254 I255 G260 V261 L262 M312 F829 V833 F907 I911 | Y254-L258 PolarHBondContact O-N 3.12Å; I255-L258 PolarHBondContact O-N 2.94Å; L258-G260 VanDerWaalsContact C-N 3.3Å; L258-G260 PolarHBondContact O-N 3.14Å; L258-V261 PolarHBondContact O-N 3.39Å; L258-L262 WeakPolarHBondContact O-CB 3.05Å; L258-L262 PolarHBondContact O-N 2.95Å; L258-M312 HydrophobicContact CD2-CE 3.61Å; L258-F829 HydrophobicContact CD1-CD1 3.2Å; L258-F829 HydrophobicContact CD1-CE1 3.42Å; L258-F829 VanDerWaalsContact CD1-CE1 3.42Å; L258-F829 HydrophobicContact CD1-CG 4Å; L258-F829 HydrophobicContact CD1-CZ 4.33Å; L258-V833 HydrophobicContact CD2-CG2 4.11Å; L258-F907 HydrophobicContact CD1-CZ 4.37Å; L258-F907 HydrophobicContact CD2-CZ 4.28Å; L258-F907 HydrophobicContact CG-CZ 4.07Å; L258-I911 HydrophobicContact CD2-CD1 3.97Å |
| 259 | F | 88.7 | Confident | 90.2 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 172.4 | -178.4 | -102.9 | 0 | 0 | 0 | 111.7 | F37 I255 L256 C257 L262 L263 F306 | F37-F259 AromaticContact CD2-CD2 3.86Å; F37-F259 HydrophobicContact CD2-CD2 3.86Å; F37-F259 AromaticContact CD2-CE2 3.71Å; F37-F259 HydrophobicContact CD2-CE2 3.71Å; F37-F259 AromaticContact CE2-CD2 3.78Å; F37-F259 HydrophobicContact CE2-CD2 3.78Å; F37-F259 AromaticContact CE2-CE2 3.69Å; F37-F259 HydrophobicContact CE2-CE2 3.69Å; I255-F259 WeakPolarHBondContact O-CB 3.09Å; I255-F259 PolarHBondContact O-N 3.18Å; L256-F259 WeakPolarHBondContact O-CB 3.38Å; L256-F259 PolarHBondContact O-N 3.18Å; C257-F259 VanDerWaalsContact C-N 3.3Å; C257-F259 PolarHBondContact O-N 3.42Å; F259-L262 HydrophobicContact CD2-CD2 4.09Å; F259-L262 HydrophobicContact CE2-CD2 4.44Å; F259-L262 WeakPolarHBondContact O-CB 3.44Å; F259-L262 PolarHBondContact O-N 2.93Å; F259-L263 HydrophobicContact CD1-CD1 4.04Å; F259-L263 HydrophobicContact CD1-CG 4.42Å; F259-L263 HydrophobicContact CE1-CD1 3.52Å; F259-L263 HydrophobicContact CE1-CG 4.03Å; F259-L263 HydrophobicContact CZ-CD1 3.98Å; F259-L263 HydrophobicContact CZ-CD2 4.16Å; F259-L263 HydrophobicContact CZ-CG 4.09Å; F259-L263 WeakPolarHBondContact O-CG 3.48Å; F259-L263 PolarHBondContact O-N 3.45Å; F259-F306 HydrophobicContact CE2-CE2 4.27Å; F259-F306 HydrophobicContact CE2-CZ 4.15Å |
| 260 | G | 90.8 | Very high | 90.5 | Very high | 38 Ų | 38 | 45.5 Ų | 45.5 | 39% | 0.392 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L256 C257 L258 L263 F264 | L256-G260 PolarHBondContact O-N 3.43Å; C257-G260 WeakPolarHBondContact O-CA 3.3Å; C257-G260 PolarHBondContact O-N 2.7Å; C257-G260 VanDerWaalsContact O-N 3.09Å; L258-G260 VanDerWaalsContact C-N 3.3Å; L258-G260 PolarHBondContact O-N 3.14Å; G260-L263 PolarHBondContact O-N 2.74Å; G260-F264 PolarHBondContact O-N 3.08Å |
| 261 | V | 90.5 | Very high | 90.7 | Very high | 55 Ų | 55 | 47.2 Ų | 47.2 | 33% | 0.333 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 175.4 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | C257 L258 F264 L265 M312 | C257-V261 PolarHBondContact O-N 2.84Å; L258-V261 PolarHBondContact O-N 3.39Å; V261-F264 WeakPolarHBondContact O-CB 3.34Å; V261-F264 PolarHBondContact O-N 3.49Å; V261-L265 HydrophobicContact CG1-CD1 4.21Å; V261-L265 HydrophobicContact CG1-CG 4.34Å; V261-L265 WeakPolarHBondContact O-CG 3.46Å; V261-L265 PolarHBondContact O-N 3.1Å; V261-M312 HydrophobicContact CB-CE 3.96Å; V261-M312 HydrophobicContact CG1-CE 3.54Å; V261-M312 HydrophobicContact CG1-SD 4.33Å |
| 262 | L | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.4 | -53.3 | 173.5 | 169.8 | 64.8 | 0 | 0 | 0 | 110.4 | F37 L258 F259 F264 L265 T266 F306 Y309 | F37-L262 HydrophobicContact CE2-CD2 3.7Å; F37-L262 HydrophobicContact CZ-CD2 3.57Å; L258-L262 WeakPolarHBondContact O-CB 3.05Å; L258-L262 PolarHBondContact O-N 2.95Å; F259-L262 HydrophobicContact CD2-CD2 4.09Å; F259-L262 HydrophobicContact CE2-CD2 4.44Å; F259-L262 WeakPolarHBondContact O-CB 3.44Å; F259-L262 PolarHBondContact O-N 2.93Å; L262-F264 VanDerWaalsContact C-N 3.31Å; L262-F264 PolarHBondContact O-N 3.24Å; L262-L265 PolarHBondContact O-N 3.08Å; L262-T266 HydrophobicContact CD1-CG2 3.9Å; L262-T266 HydrophobicContact CG-CG2 4.38Å; L262-T266 WeakPolarHBondContact O-CG2 3.24Å; L262-T266 PolarHBondContact O-N 3.4Å; L262-T266 PolarHBondContact O-OG1 2.96Å; L262-F306 HydrophobicContact CD2-CE2 3.97Å; L262-F306 HydrophobicContact CD2-CZ 4.48Å; L262-F306 HydrophobicContact CG-CE2 4.27Å; L262-Y309 VanDerWaalsContact CD1-C 3.44Å; L262-Y309 HydrophobicContact CD1-CG 4.47Å; L262-Y309 WeakPolarHBondContact CD1-O 3.49Å |
| 263 | L | 92.2 | Very high | 91.1 | Very high | 57 Ų | 57 | 46.7 Ų | 46.7 | 30% | 0.298 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.5 | -46.5 | 178 | -72.6 | 178.6 | 0 | 0 | 0 | 111.4 | F259 G260 L265 T266 F267 F306 | F259-L263 HydrophobicContact CD1-CD1 4.04Å; F259-L263 HydrophobicContact CD1-CG 4.42Å; F259-L263 HydrophobicContact CE1-CD1 3.52Å; F259-L263 HydrophobicContact CE1-CG 4.03Å; F259-L263 HydrophobicContact CZ-CD1 3.98Å; F259-L263 HydrophobicContact CZ-CD2 4.16Å; F259-L263 HydrophobicContact CZ-CG 4.09Å; F259-L263 WeakPolarHBondContact O-CG 3.48Å; F259-L263 PolarHBondContact O-N 3.45Å; G260-L263 PolarHBondContact O-N 2.74Å; L263-L265 PolarHBondContact O-N 3.14Å; L263-T266 WeakPolarHBondContact CA-OG1 3.43Å; L263-T266 PolarHBondContact O-N 3.01Å; L263-T266 PolarHBondContact O-OG1 3.38Å; L263-F267 HydrophobicContact CB-CD2 4.44Å; L263-F267 HydrophobicContact CB-CE2 4.46Å; L263-F267 WeakPolarHBondContact O-CD2 3.38Å; L263-F267 PolarHBondContact O-N 2.93Å; L263-F306 HydrophobicContact CD2-CD2 4.46Å; L263-F306 HydrophobicContact CD2-CE2 3.96Å |
| 264 | F | 93.6 | Very high | 91.1 | Very high | 136 Ų | 136 | 45.5 Ų | 45.5 | 60% | 0.596 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -56 | -50.3 | 176.4 | 171.9 | -98.1 | 0 | 0 | 0 | 112.5 | G260 V261 L262 T266 F267 F268 | G260-F264 PolarHBondContact O-N 3.08Å; V261-F264 WeakPolarHBondContact O-CB 3.34Å; V261-F264 PolarHBondContact O-N 3.49Å; L262-F264 VanDerWaalsContact C-N 3.31Å; L262-F264 PolarHBondContact O-N 3.24Å; F264-T266 VanDerWaalsContact C-N 3.28Å; F264-T266 PolarHBondContact O-N 3.05Å; F264-F267 PolarHBondContact O-N 2.84Å; F264-F268 VanDerWaalsContact O-CB 3.3Å; F264-F268 WeakPolarHBondContact O-CB 2.83Å; F264-F268 PolarHBondContact O-N 3.46Å |
| 265 | L | 92.3 | Very high | 91.1 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 7% | 0.068 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 178.7 | -68.3 | 177.2 | 0 | 0 | 0 | 111.6 | V261 L262 L263 F268 T269 Y309 M312 L837 F840 | V261-L265 HydrophobicContact CG1-CD1 4.21Å; V261-L265 HydrophobicContact CG1-CG 4.34Å; V261-L265 WeakPolarHBondContact O-CG 3.46Å; V261-L265 PolarHBondContact O-N 3.1Å; L262-L265 PolarHBondContact O-N 3.08Å; L263-L265 PolarHBondContact O-N 3.14Å; L265-F268 PolarHBondContact O-N 3.38Å; L265-T269 WeakPolarHBondContact O-CG2 3.5Å; L265-T269 PolarHBondContact O-N 3.08Å; L265-T269 PolarHBondContact O-OG1 3.29Å; L265-T269 VanDerWaalsContact O-OG1 3.13Å; L265-Y309 HydrophobicContact CB-CD2 4.08Å; L265-Y309 HydrophobicContact CB-CE2 4.18Å; L265-M312 HydrophobicContact CD1-SD 4.16Å; L265-L837 HydrophobicContact CD1-CD1 4.12Å; L265-F840 HydrophobicContact CD2-CD2 3.81Å; L265-F840 HydrophobicContact CD2-CE2 3.75Å; L265-F840 HydrophobicContact CD2-CG 4.33Å; L265-F840 HydrophobicContact CD2-CZ 4.2Å |
| 266 | T | 92.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.9 | -41.5 | -179.3 | 62.4 | 0 | 0 | 0 | 0 | 112.7 | L262 L263 F264 T269 F270 F306 Y309 | L262-T266 HydrophobicContact CD1-CG2 3.9Å; L262-T266 HydrophobicContact CG-CG2 4.38Å; L262-T266 WeakPolarHBondContact O-CG2 3.24Å; L262-T266 PolarHBondContact O-N 3.4Å; L262-T266 PolarHBondContact O-OG1 2.96Å; L263-T266 WeakPolarHBondContact CA-OG1 3.43Å; L263-T266 PolarHBondContact O-N 3.01Å; L263-T266 PolarHBondContact O-OG1 3.38Å; F264-T266 VanDerWaalsContact C-N 3.28Å; F264-T266 PolarHBondContact O-N 3.05Å; T266-T269 PolarHBondContact O-OG1 2.9Å; T266-F270 WeakPolarHBondContact O-CB 3.5Å; T266-F270 PolarHBondContact O-N 2.88Å; T266-F306 HydrophobicContact CG2-CB 4.24Å; T266-F306 HydrophobicContact CG2-CD2 3.99Å; T266-Y309 HydrophobicContact CG2-CD2 3.82Å |
| 267 | F | 93.2 | Very high | 91 | Very high | 107 Ų | 107 | 49.1 Ų | 49.1 | 47% | 0.469 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 174.1 | -80.4 | -66.8 | 0 | 0 | 0 | 111.2 | L263 F264 F270 I271 L302 | L263-F267 HydrophobicContact CB-CD2 4.44Å; L263-F267 HydrophobicContact CB-CE2 4.46Å; L263-F267 WeakPolarHBondContact O-CD2 3.38Å; L263-F267 PolarHBondContact O-N 2.93Å; F264-F267 PolarHBondContact O-N 2.84Å; F267-F270 PolarHBondContact O-N 3.21Å; F267-I271 VanDerWaalsContact O-CG1 3.29Å; F267-I271 WeakPolarHBondContact O-CG1 3.27Å; F267-I271 PolarHBondContact O-N 3.32Å; F267-L302 HydrophobicContact CD1-CD1 4.41Å; F267-L302 HydrophobicContact CE1-CD1 4.4Å |
| 268 | F | 94 | Very high | 90.7 | Very high | 90 Ų | 90 | 50.4 Ų | 50.4 | 40% | 0.395 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.4 | -49.5 | 176.9 | -179.4 | -89.3 | 0 | 0 | 0 | 111.5 | F264 L265 F270 I271 A272 F840 F848 | F264-F268 VanDerWaalsContact O-CB 3.3Å; F264-F268 WeakPolarHBondContact O-CB 2.83Å; F264-F268 PolarHBondContact O-N 3.46Å; L265-F268 PolarHBondContact O-N 3.38Å; F268-F270 VanDerWaalsContact C-N 3.34Å; F268-F270 PolarHBondContact O-N 3.4Å; F268-I271 PolarHBondContact O-N 3.37Å; F268-A272 HydrophobicContact CE1-CB 4.47Å; F268-A272 WeakPolarHBondContact O-CB 3.24Å; F268-A272 PolarHBondContact O-N 3.28Å; F268-F840 AromaticContact CD1-CE2 3.71Å; F268-F840 HydrophobicContact CD1-CE2 3.71Å; F268-F840 AromaticContact CD1-CZ 3.98Å; F268-F840 HydrophobicContact CD1-CZ 3.98Å; F268-F840 HydrophobicContact CE1-CE2 4.01Å; F268-F840 AromaticContact CE1-CZ 3.88Å; F268-F840 HydrophobicContact CE1-CZ 3.88Å; F268-F848 HydrophobicContact CD1-CE1 4.45Å; F268-F848 HydrophobicContact CE1-CE1 4.02Å; F268-F848 HydrophobicContact CE1-CZ 4.15Å |
| 269 | T | 91.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.5 | -35.5 | 179 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | L265 T266 N273 S305 Y309 F840 F848 | L265-T269 WeakPolarHBondContact O-CG2 3.5Å; L265-T269 PolarHBondContact O-N 3.08Å; L265-T269 PolarHBondContact O-OG1 3.29Å; L265-T269 VanDerWaalsContact O-OG1 3.13Å; T266-T269 PolarHBondContact O-OG1 2.9Å; T269-N273 VanDerWaalsContact O-CB 3.22Å; T269-N273 WeakPolarHBondContact O-CB 3.37Å; T269-N273 PolarHBondContact O-N 3.07Å; T269-S305 VanDerWaalsContact OG1-CB 3.28Å; T269-S305 WeakPolarHBondContact OG1-CB 3.09Å; T269-S305 PolarHBondContact OG1-OG 3.31Å; T269-S305 VanDerWaalsContact OG1-OG 3.04Å; T269-Y309 HydrophobicContact CG2-CE2 3.67Å; T269-Y309 WeakPolarHBondContact CG2-OH 3.44Å; T269-F840 HydrophobicContact CG2-CD2 4.08Å; T269-F840 HydrophobicContact CG2-CE2 4.11Å; T269-F848 HydrophobicContact CG2-CD1 3.68Å; T269-F848 HydrophobicContact CG2-CE1 4.14Å |
| 270 | F | 92.2 | Very high | 90.5 | Very high | 38 Ų | 38 | 57.5 Ų | 57.5 | 17% | 0.167 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.8 | -51.6 | 173.3 | 168.7 | -110.5 | 0 | 0 | 0 | 111.7 | T266 F267 F268 N273 L274 A298 M301 L302 | T266-F270 WeakPolarHBondContact O-CB 3.5Å; T266-F270 PolarHBondContact O-N 2.88Å; F267-F270 PolarHBondContact O-N 3.21Å; F268-F270 VanDerWaalsContact C-N 3.34Å; F268-F270 PolarHBondContact O-N 3.4Å; F270-N273 PolarHBondContact O-N 3.06Å; F270-L274 HydrophobicContact CE1-CD1 3.86Å; F270-L274 HydrophobicContact CE2-CD1 3.83Å; F270-L274 HydrophobicContact CE2-CD2 4.44Å; F270-L274 HydrophobicContact CE2-CG 4.13Å; F270-L274 HydrophobicContact CZ-CD1 3.49Å; F270-L274 VanDerWaalsContact CZ-CD1 3.49Å; F270-L274 HydrophobicContact CZ-CG 4.3Å; F270-L274 WeakPolarHBondContact O-CG 3.38Å; F270-L274 PolarHBondContact O-N 3.44Å; F270-L274 VanDerWaalsContact O-N 3.08Å; F270-A298 HydrophobicContact CE2-CB 3.9Å; F270-A298 WeakPolarHBondContact CE2-O 3.32Å; F270-A298 HydrophobicContact CZ-CB 4.19Å; F270-M301 HydrophobicContact CD2-CB 4.5Å; F270-L302 HydrophobicContact CB-CD1 3.97Å; F270-L302 HydrophobicContact CD1-CD1 4.2Å; F270-L302 HydrophobicContact CD2-CB 3.88Å; F270-L302 HydrophobicContact CD2-CD1 4.33Å; F270-L302 HydrophobicContact CE2-CB 4.18Å; F270-L302 HydrophobicContact CG-CB 4.32Å; F270-L302 HydrophobicContact CG-CD1 3.9Å |
| 271 | I | 92.3 | Very high | 89.8 | Confident | 99 Ų | 99 | 61.6 Ų | 61.6 | 51% | 0.508 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 178.6 | -66.9 | 168.1 | 0 | 0 | 0 | 110.6 | F267 F268 N273 L274 V275 | F267-I271 VanDerWaalsContact O-CG1 3.29Å; F267-I271 WeakPolarHBondContact O-CG1 3.27Å; F267-I271 PolarHBondContact O-N 3.32Å; F268-I271 PolarHBondContact O-N 3.37Å; I271-N273 VanDerWaalsContact C-N 3.31Å; I271-N273 PolarHBondContact O-N 3.41Å; I271-L274 PolarHBondContact O-N 3.27Å; I271-V275 HydrophobicContact CG2-CG2 4.41Å; I271-V275 WeakPolarHBondContact O-CG2 3.13Å; I271-V275 PolarHBondContact O-N 3.01Å |
| 272 | A | 92.4 | Very high | 89.1 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -36.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F268 W276 F848 | F268-A272 HydrophobicContact CE1-CB 4.47Å; F268-A272 WeakPolarHBondContact O-CB 3.24Å; F268-A272 PolarHBondContact O-N 3.28Å; A272-W276 WeakPolarHBondContact O-CB 3.04Å; A272-W276 PolarHBondContact O-N 2.78Å; A272-F848 HydrophobicContact CB-CD1 4.02Å; A272-F848 HydrophobicContact CB-CD2 3.49Å; A272-F848 VanDerWaalsContact CB-CD2 3.49Å; A272-F848 HydrophobicContact CB-CE1 3.97Å; A272-F848 HydrophobicContact CB-CE2 3.45Å; A272-F848 VanDerWaalsContact CB-CE2 3.45Å; A272-F848 HydrophobicContact CB-CG 3.79Å; A272-F848 HydrophobicContact CB-CZ 3.68Å |
| 273 | N | 90.2 | Very high | 88.5 | Confident | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 172.3 | 179.5 | -99.2 | 0 | 0 | 0 | 111.4 | T269 F270 I271 V275 W276 T277 Y297 G847 F848 | T269-N273 VanDerWaalsContact O-CB 3.22Å; T269-N273 WeakPolarHBondContact O-CB 3.37Å; T269-N273 PolarHBondContact O-N 3.07Å; F270-N273 PolarHBondContact O-N 3.06Å; I271-N273 VanDerWaalsContact C-N 3.31Å; I271-N273 PolarHBondContact O-N 3.41Å; N273-V275 VanDerWaalsContact C-N 3.33Å; N273-V275 PolarHBondContact O-N 3.35Å; N273-W276 PolarHBondContact O-N 3.26Å; N273-T277 WeakPolarHBondContact O-CB 3.4Å; N273-T277 PolarHBondContact O-N 2.92Å; N273-T277 PolarHBondContact O-OG1 3.23Å; N273-Y297 PolarHBondContact OD1-OH 2.84Å; N273-G847 PolarHBondContact ND2-O 3.01Å; N273-F848 HydrophobicContact CB-CB 3.75Å; N273-F848 PolarHBondContact ND2-O 3.47Å |
| 274 | L | 88.5 | Confident | 87.8 | Confident | 63 Ų | 63 | 75.2 Ų | 75.2 | 33% | 0.33 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.4 | -45 | 178 | -70 | -180 | 0 | 0 | 0 | 112.2 | F270 I271 S278 A298 | F270-L274 HydrophobicContact CE1-CD1 3.86Å; F270-L274 HydrophobicContact CE2-CD1 3.83Å; F270-L274 HydrophobicContact CE2-CD2 4.44Å; F270-L274 HydrophobicContact CE2-CG 4.13Å; F270-L274 HydrophobicContact CZ-CD1 3.49Å; F270-L274 VanDerWaalsContact CZ-CD1 3.49Å; F270-L274 HydrophobicContact CZ-CG 4.3Å; F270-L274 WeakPolarHBondContact O-CG 3.38Å; F270-L274 PolarHBondContact O-N 3.44Å; F270-L274 VanDerWaalsContact O-N 3.08Å; I271-L274 PolarHBondContact O-N 3.27Å; L274-S278 WeakPolarHBondContact O-CB 3.15Å; L274-S278 PolarHBondContact O-N 2.67Å; L274-A298 HydrophobicContact CD2-CB 4.3Å |
| 275 | V | 90.6 | Very high | 87.2 | Confident | 57 Ų | 57 | 79.3 Ų | 79.3 | 35% | 0.345 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 177.2 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | I271 N273 T277 S278 W279 | I271-V275 HydrophobicContact CG2-CG2 4.41Å; I271-V275 WeakPolarHBondContact O-CG2 3.13Å; I271-V275 PolarHBondContact O-N 3.01Å; N273-V275 VanDerWaalsContact C-N 3.33Å; N273-V275 PolarHBondContact O-N 3.35Å; V275-T277 PolarHBondContact O-N 2.8Å; V275-S278 PolarHBondContact O-N 2.72Å; V275-S278 PolarHBondContact O-OG 3.31Å; V275-W279 HydrophobicContact CG1-CD2 3.96Å; V275-W279 HydrophobicContact CG1-CE3 4.2Å; V275-W279 HydrophobicContact CG1-CH2 3.83Å; V275-W279 HydrophobicContact CG1-CZ2 3.54Å; V275-W279 HydrophobicContact CG1-CZ3 4.15Å; V275-W279 PolarHBondContact O-N 3.49Å; V275-W279 VanDerWaalsContact O-N 3.11Å |
| 276 | W | 89.2 | Confident | 86.8 | Confident | 107 Ų | 107 | 86 Ų | 86 | 41% | 0.405 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | -179.1 | -175.1 | -94.2 | 0 | 0 | 0 | 112.8 | A272 N273 S278 W279 N280 | A272-W276 WeakPolarHBondContact O-CB 3.04Å; A272-W276 PolarHBondContact O-N 2.78Å; N273-W276 PolarHBondContact O-N 3.26Å; W276-S278 VanDerWaalsContact C-N 3.34Å; W276-W279 PolarHBondContact O-N 2.73Å; W276-N280 VanDerWaalsContact CZ2-ND2 3.31Å; W276-N280 WeakPolarHBondContact CZ2-ND2 3.41Å; W276-N280 PolarHBondContact NE1-ND2 3.35Å; W276-N280 PolarHBondContact O-N 2.85Å |
| 277 | T | 84.9 | Confident | 86 | Confident | 34 Ų | 34 | 90.7 Ų | 90.7 | 21% | 0.209 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 176.4 | -59 | 0 | 0 | 0 | 0 | 110.4 | N273 V275 W279 N280 E281 Y297 | N273-T277 WeakPolarHBondContact O-CB 3.4Å; N273-T277 PolarHBondContact O-N 2.92Å; N273-T277 PolarHBondContact O-OG1 3.23Å; V275-T277 PolarHBondContact O-N 2.8Å; T277-W279 VanDerWaalsContact C-N 3.28Å; T277-W279 PolarHBondContact O-N 3Å; T277-N280 PolarHBondContact O-N 2.87Å; T277-E281 WeakPolarHBondContact O-CA 3.13Å; T277-E281 WeakPolarHBondContact O-CB 3.48Å; T277-E281 PolarHBondContact O-N 3.48Å; T277-Y297 PolarHBondContact OG1-OH 3.34Å |
| 278 | S | 84.2 | Confident | 84.5 | Confident | 71 Ų | 71 | 93.6 Ų | 93.6 | 50% | 0.497 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.3 | -32.5 | 177 | 77.6 | 0 | 0 | 0 | 0 | 113.7 | L274 V275 W276 | L274-S278 WeakPolarHBondContact O-CB 3.15Å; L274-S278 PolarHBondContact O-N 2.67Å; V275-S278 PolarHBondContact O-N 2.72Å; V275-S278 PolarHBondContact O-OG 3.31Å; W276-S278 VanDerWaalsContact C-N 3.34Å |
| 279 | W | 88 | Confident | 82.8 | Confident | 189 Ų | 189 | 97.4 Ų | 97.4 | 72% | 0.716 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -82.3 | -31.3 | -179.5 | -69.6 | -5.5 | 0 | 0 | 0 | 113.4 | V275 W276 T277 | V275-W279 HydrophobicContact CG1-CD2 3.96Å; V275-W279 HydrophobicContact CG1-CE3 4.2Å; V275-W279 HydrophobicContact CG1-CH2 3.83Å; V275-W279 HydrophobicContact CG1-CZ2 3.54Å; V275-W279 HydrophobicContact CG1-CZ3 4.15Å; V275-W279 PolarHBondContact O-N 3.49Å; V275-W279 VanDerWaalsContact O-N 3.11Å; W276-W279 PolarHBondContact O-N 2.73Å; T277-W279 VanDerWaalsContact C-N 3.28Å; T277-W279 PolarHBondContact O-N 3Å |
| 280 | N | 84.6 | Confident | 81.1 | Confident | 28 Ų | 28 | 103.1 Ų | 103.1 | 15% | 0.15 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -110.3 | 5 | -172.6 | -73.8 | -46.9 | 0 | 0 | 0 | 114 | W276 T277 K282 K283 M284 | W276-N280 VanDerWaalsContact CZ2-ND2 3.31Å; W276-N280 WeakPolarHBondContact CZ2-ND2 3.41Å; W276-N280 PolarHBondContact NE1-ND2 3.35Å; W276-N280 PolarHBondContact O-N 2.85Å; T277-N280 PolarHBondContact O-N 2.87Å; N280-K282 VanDerWaalsContact C-N 3.25Å; N280-K282 PolarHBondContact O-N 3.44Å; N280-K282 VanDerWaalsContact O-N 3.13Å; N280-K283 WeakPolarHBondContact O-CA 3.45Å; N280-K283 WeakPolarHBondContact O-CB 3.23Å; N280-K283 PolarHBondContact O-N 3.28Å; N280-M284 HydrophobicContact CB-CE 3.56Å; N280-M284 WeakPolarHBondContact O-CG 3.4Å; N280-M284 PolarHBondContact O-N 2.86Å |
| 281 | E | 76.3 | Confident | 79.4 | Confident | 124 Ų | 124 | 109.7 Ų | 109.7 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -42.5 | -50 | 179.5 | -169.2 | 175.7 | -161.2 | 0 | 0 | 112.5 | T277 K283 M284 | T277-E281 WeakPolarHBondContact O-CA 3.13Å; T277-E281 WeakPolarHBondContact O-CB 3.48Å; T277-E281 PolarHBondContact O-N 3.48Å; E281-K283 PolarHBondContact O-N 3.2Å; E281-K283 VanDerWaalsContact O-N 3.11Å; E281-M284 PolarHBondContact O-N 2.86Å; E281-M284 VanDerWaalsContact O-N 3.08Å |
| 282 | K | 75.8 | Confident | 77.9 | Confident | 208 Ų | 208 | 109.4 Ų | 109.4 | 90% | 0.904 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -62.5 | -21.1 | 179.4 | -63.6 | -175.4 | -179.1 | -179.9 | 0 | 114.9 | N280 | N280-K282 VanDerWaalsContact C-N 3.25Å; N280-K282 PolarHBondContact O-N 3.44Å; N280-K282 VanDerWaalsContact O-N 3.13Å |
| 283 | K | 79.6 | Confident | 76.8 | Confident | 150 Ų | 150 | 112.4 Ų | 112.4 | 65% | 0.652 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -90.3 | -12.1 | 179.3 | -64.6 | 179.5 | -176.8 | 165.4 | 0 | 112.8 | N280 E281 W285 | N280-K283 WeakPolarHBondContact O-CA 3.45Å; N280-K283 WeakPolarHBondContact O-CB 3.23Å; N280-K283 PolarHBondContact O-N 3.28Å; E281-K283 PolarHBondContact O-N 3.2Å; E281-K283 VanDerWaalsContact O-N 3.11Å; K283-W285 PolarHBondContact O-N 3.47Å |
| 284 | M | 77.6 | Confident | 76.2 | Confident | 40 Ų | 40 | 117.9 Ų | 117.9 | 20% | 0.197 | 56% | 0.561 | C | S | . | * | trans | -94.4 | 30.9 | -170.2 | -63.9 | -171.4 | -163.4 | 0 | 0 | 114.2 | N280 E281 Y286 L287 | N280-M284 HydrophobicContact CB-CE 3.56Å; N280-M284 WeakPolarHBondContact O-CG 3.4Å; N280-M284 PolarHBondContact O-N 2.86Å; E281-M284 PolarHBondContact O-N 2.86Å; E281-M284 VanDerWaalsContact O-N 3.08Å; M284-Y286 PolarHBondContact O-N 2.94Å; M284-L287 HydrophobicContact CB-CD1 4.17Å; M284-L287 HydrophobicContact CG-CD1 4.29Å; M284-L287 PolarHBondContact O-N 2.79Å; M284-L287 HydrophobicContact SD-CD1 4.1Å | ||
| 285 | W | 81.6 | Confident | 75.9 | Confident | 223 Ų | 223 | 120.7 Ų | 120.7 | 85% | 0.845 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -21.6 | -174.9 | 70.8 | -90.7 | 0 | 0 | 0 | 115.1 | K283 | K283-W285 PolarHBondContact O-N 3.47Š|
| 286 | Y | 83 | Confident | 75.5 | Confident | 154 Ų | 154 | 125.4 Ų | 125.4 | 60% | 0.604 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -15.8 | -179.9 | 62.5 | -89.3 | 0 | 0 | 0 | 113.5 | M284 Q288 | M284-Y286 PolarHBondContact O-N 2.94Å; Y286-Q288 PolarHBondContact O-N 2.76Å |
| 287 | L | 76.6 | Confident | 75.2 | Confident | 100 Ų | 100 | 123.8 Ų | 123.8 | 52% | 0.524 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -90.1 | 96.8 | 171.6 | -70.6 | 160 | 0 | 0 | 0 | 105.9 | M284 E289 | M284-L287 HydrophobicContact CB-CD1 4.17Å; M284-L287 HydrophobicContact CG-CD1 4.29Å; M284-L287 PolarHBondContact O-N 2.79Å; M284-L287 HydrophobicContact SD-CD1 4.1Å; L287-E289 PolarHBondContact O-N 3.37Å; L287-E289 VanDerWaalsContact O-N 3.12Å |
| 288 | Q | 60.9 | Low | 75.2 | Confident | 168 Ų | 168 | 122.9 Ų | 122.9 | 79% | 0.785 | 58% | 0.578 | S | S | * | * | trans | -48.1 | 121 | -180 | -72.4 | 175.1 | -25.8 | 0 | 0 | 110 | Y286 N290 | Y286-Q288 PolarHBondContact O-N 2.76Å; Q288-N290 PolarHBondContact O-N 2.76Å | ||
| 289 | E | 58.9 | Low | 75.4 | Confident | 171 Ų | 171 | 123.4 Ų | 123.4 | 80% | 0.799 | 57% | 0.574 | S | S | * | * | trans | -61.5 | 90.9 | 166 | -87.8 | 178.6 | 145.9 | 0 | 0 | 107.4 | L287 | L287-E289 PolarHBondContact O-N 3.37Å; L287-E289 VanDerWaalsContact O-N 3.12Å | ||
| 290 | N | 56.7 | Low | 75.3 | Confident | 120 Ų | 120 | 116.6 Ų | 116.6 | 64% | 0.642 | 55% | 0.552 | S | S | * | * | trans | -66.5 | 132.7 | 157.2 | -72.8 | -25.2 | 0 | 0 | 0 | 106 | Q288 E292 | Q288-N290 PolarHBondContact O-N 2.76Å; N290-E292 HydrophobicContact CB-CG 4.38Å; N290-E292 PolarHBondContact O-N 3.5Å | ||
| 291 | D | 54.9 | Low | 75.5 | Confident | 176 Ų | 176 | 116.8 Ų | 116.8 | 94% | 0.941 | 55% | 0.552 | S | S | * | * | trans | -60.6 | 44.2 | 172.3 | -80.6 | -34.3 | 0 | 0 | 0 | 112.6 | ||||
| 292 | E | 61.9 | Low | 76.2 | Confident | 93 Ų | 93 | 113.6 Ų | 113.6 | 44% | 0.435 | 54% | 0.539 | S | S | . | . | trans | -78.9 | 127.8 | 167.6 | -69.7 | -156.6 | 158.9 | 0 | 0 | 108.5 | N290 T294 R296 N300 | N290-E292 HydrophobicContact CB-CG 4.38Å; N290-E292 PolarHBondContact O-N 3.5Å; E292-T294 PolarHBondContact O-N 3.16Å; E292-R296 HydrophobicContact CB-CB 4.45Å; E292-N300 PolarHBondContact OE2-ND2 2.69Å | ||
| 293 | T | 69.8 | Low | 76.9 | Confident | 82 Ų | 82 | 105.2 Ų | 105.2 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | trans | -52.1 | 139 | 172.3 | 52 | 0 | 0 | 0 | 0 | 109.8 | L295 R296 Y297 | T293-L295 CarbonylContact O-C 3.58Å; T293-L295 PolarHBondContact O-N 2.93Å; T293-R296 WeakPolarHBondContact O-CA 3.48Å; T293-R296 WeakPolarHBondContact O-CB 3.39Å; T293-R296 PolarHBondContact O-N 3.19Å; T293-R296 VanDerWaalsContact OG1-CG 3.32Å; T293-R296 WeakPolarHBondContact OG1-CG 3.42Å; T293-Y297 PolarHBondContact O-N 3.37Å | ||
| 294 | T | 76.6 | Confident | 77.4 | Confident | 118 Ų | 118 | 98.9 Ų | 98.9 | 72% | 0.724 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -48.1 | -33.7 | 178 | -44.9 | 0 | 0 | 0 | 0 | 112.1 | E292 A298 | E292-T294 PolarHBondContact O-N 3.16Å; T294-A298 VanDerWaalsContact O-CB 3.31Å; T294-A298 WeakPolarHBondContact O-CB 3.26Å; T294-A298 PolarHBondContact O-N 3.39Å |
| 295 | L | 81.6 | Confident | 78 | Confident | 121 Ų | 121 | 97.1 Ų | 97.1 | 63% | 0.634 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.2 | -44 | 174.6 | -175.8 | 64.9 | 0 | 0 | 0 | 113.4 | T293 A298 I299 | T293-L295 CarbonylContact O-C 3.58Å; T293-L295 PolarHBondContact O-N 2.93Å; L295-A298 PolarHBondContact O-N 2.98Å; L295-I299 HydrophobicContact CD1-CD1 4.12Å; L295-I299 HydrophobicContact CD1-CG1 4.42Å; L295-I299 HydrophobicContact CG-CD1 3.91Å; L295-I299 WeakPolarHBondContact O-CB 3.38Å; L295-I299 VanDerWaalsContact O-CG1 3.26Å; L295-I299 WeakPolarHBondContact O-CG1 3.32Å; L295-I299 PolarHBondContact O-N 3.5Å |
| 296 | R | 83 | Confident | 78.5 | Confident | 157 Ų | 157 | 87.9 Ų | 87.9 | 59% | 0.592 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.4 | -45.1 | 177.2 | -79.1 | 178 | 178.3 | -172 | 1.8 | 111.1 | E292 T293 A298 I299 N300 | E292-R296 HydrophobicContact CB-CB 4.45Å; T293-R296 WeakPolarHBondContact O-CA 3.48Å; T293-R296 WeakPolarHBondContact O-CB 3.39Å; T293-R296 PolarHBondContact O-N 3.19Å; T293-R296 VanDerWaalsContact OG1-CG 3.32Å; T293-R296 WeakPolarHBondContact OG1-CG 3.42Å; R296-A298 VanDerWaalsContact C-N 3.34Å; R296-A298 PolarHBondContact O-N 3.1Å; R296-I299 PolarHBondContact O-N 3.14Å; R296-N300 WeakPolarHBondContact O-CB 3.37Å; R296-N300 PolarHBondContact O-N 3.16Å; R296-N300 PolarHBondContact O-ND2 3.43Å |
| 297 | Y | 82.8 | Confident | 78.8 | Confident | 73 Ų | 73 | 80.6 Ų | 80.6 | 29% | 0.286 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.4 | -47.8 | 173.9 | 176.7 | -95 | 0 | 0 | 0 | 111.6 | N273 T277 T293 I299 N300 M301 | N273-Y297 PolarHBondContact OD1-OH 2.84Å; T277-Y297 PolarHBondContact OG1-OH 3.34Å; T293-Y297 PolarHBondContact O-N 3.37Å; Y297-I299 PolarHBondContact O-N 3.03Å; Y297-N300 PolarHBondContact O-N 3.29Å; Y297-M301 HydrophobicContact CD1-CG 4.25Å; Y297-M301 HydrophobicContact CD2-CE 4.26Å; Y297-M301 HydrophobicContact CD2-CG 4.49Å; Y297-M301 HydrophobicContact CE1-CG 3.84Å; Y297-M301 HydrophobicContact CE2-CE 3.41Å; Y297-M301 VanDerWaalsContact CE2-CE 3.41Å; Y297-M301 HydrophobicContact CE2-CG 4.13Å; Y297-M301 WeakPolarHBondContact O-CB 3.34Å; Y297-M301 WeakPolarHBondContact O-CG 3.19Å; Y297-M301 PolarHBondContact O-N 3.04Å |
| 298 | A | 85.2 | Confident | 79.3 | Confident | 15 Ų | 15 | 76 Ų | 76 | 12% | 0.124 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F270 L274 T294 L295 R296 M301 L302 | F270-A298 HydrophobicContact CE2-CB 3.9Å; F270-A298 WeakPolarHBondContact CE2-O 3.32Å; F270-A298 HydrophobicContact CZ-CB 4.19Å; L274-A298 HydrophobicContact CD2-CB 4.3Å; T294-A298 VanDerWaalsContact O-CB 3.31Å; T294-A298 WeakPolarHBondContact O-CB 3.26Å; T294-A298 PolarHBondContact O-N 3.39Å; L295-A298 PolarHBondContact O-N 2.98Å; R296-A298 VanDerWaalsContact C-N 3.34Å; R296-A298 PolarHBondContact O-N 3.1Å; A298-M301 PolarHBondContact O-N 3.03Å; A298-L302 WeakPolarHBondContact O-CB 3.41Å; A298-L302 PolarHBondContact O-N 3.38Å |
| 299 | I | 87.4 | Confident | 80.7 | Confident | 81 Ų | 81 | 68.1 Ų | 68.1 | 42% | 0.415 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.6 | -69 | 167.4 | 0 | 0 | 0 | 110.6 | L295 R296 Y297 M301 L302 I303 | L295-I299 HydrophobicContact CD1-CD1 4.12Å; L295-I299 HydrophobicContact CD1-CG1 4.42Å; L295-I299 HydrophobicContact CG-CD1 3.91Å; L295-I299 WeakPolarHBondContact O-CB 3.38Å; L295-I299 VanDerWaalsContact O-CG1 3.26Å; L295-I299 WeakPolarHBondContact O-CG1 3.32Å; L295-I299 PolarHBondContact O-N 3.5Å; R296-I299 PolarHBondContact O-N 3.14Å; Y297-I299 PolarHBondContact O-N 3.03Å; I299-M301 VanDerWaalsContact C-N 3.31Å; I299-M301 PolarHBondContact O-N 2.97Å; I299-L302 PolarHBondContact O-N 2.89Å; I299-I303 HydrophobicContact CG2-CD1 3.78Å; I299-I303 HydrophobicContact CG2-CG1 4.44Å; I299-I303 WeakPolarHBondContact O-CG1 2.97Å; I299-I303 PolarHBondContact O-N 3.19Å |
| 300 | N | 87.2 | Confident | 82.1 | Confident | 47 Ų | 47 | 60.1 Ų | 60.1 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 177.3 | -73.3 | -17.9 | 0 | 0 | 0 | 110.9 | V50 E292 R296 Y297 I303 T304 | V50-N300 HydrophobicContact CG2-CB 4.33Å; V50-N300 WeakPolarHBondContact CG2-OD1 3.49Å; E292-N300 PolarHBondContact OE2-ND2 2.69Å; R296-N300 WeakPolarHBondContact O-CB 3.37Å; R296-N300 PolarHBondContact O-N 3.16Å; R296-N300 PolarHBondContact O-ND2 3.43Å; Y297-N300 PolarHBondContact O-N 3.29Å; N300-I303 PolarHBondContact O-N 2.83Å; N300-T304 VanDerWaalsContact O-CB 3.25Å; N300-T304 WeakPolarHBondContact O-CB 3.44Å; N300-T304 PolarHBondContact O-N 2.98Å; N300-T304 PolarHBondContact O-OG1 3.02Å |
| 301 | M | 87.4 | Confident | 83.5 | Confident | 32 Ų | 32 | 55 Ų | 55 | 16% | 0.158 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.6 | -35.5 | 177.8 | -73.5 | -59.6 | 169.1 | 0 | 0 | 113.5 | F270 Y297 A298 I299 S305 | F270-M301 HydrophobicContact CD2-CB 4.5Å; Y297-M301 HydrophobicContact CD1-CG 4.25Å; Y297-M301 HydrophobicContact CD2-CE 4.26Å; Y297-M301 HydrophobicContact CD2-CG 4.49Å; Y297-M301 HydrophobicContact CE1-CG 3.84Å; Y297-M301 HydrophobicContact CE2-CE 3.41Å; Y297-M301 VanDerWaalsContact CE2-CE 3.41Å; Y297-M301 HydrophobicContact CE2-CG 4.13Å; Y297-M301 WeakPolarHBondContact O-CB 3.34Å; Y297-M301 WeakPolarHBondContact O-CG 3.19Å; Y297-M301 PolarHBondContact O-N 3.04Å; A298-M301 PolarHBondContact O-N 3.03Å; I299-M301 VanDerWaalsContact C-N 3.31Å; I299-M301 PolarHBondContact O-N 2.97Å; M301-S305 VanDerWaalsContact O-CB 3.31Å; M301-S305 WeakPolarHBondContact O-CB 2.99Å; M301-S305 PolarHBondContact O-N 2.86Å; M301-S305 PolarHBondContact O-OG 3.31Å |
| 302 | L | 90.9 | Very high | 85.1 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 30% | 0.298 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.5 | -48.3 | 173.5 | -178.4 | 66 | 0 | 0 | 0 | 111 | F267 F270 A298 I299 S305 F306 | F267-L302 HydrophobicContact CD1-CD1 4.41Å; F267-L302 HydrophobicContact CE1-CD1 4.4Å; F270-L302 HydrophobicContact CB-CD1 3.97Å; F270-L302 HydrophobicContact CD1-CD1 4.2Å; F270-L302 HydrophobicContact CD2-CB 3.88Å; F270-L302 HydrophobicContact CD2-CD1 4.33Å; F270-L302 HydrophobicContact CE2-CB 4.18Å; F270-L302 HydrophobicContact CG-CB 4.32Å; F270-L302 HydrophobicContact CG-CD1 3.9Å; A298-L302 WeakPolarHBondContact O-CB 3.41Å; A298-L302 PolarHBondContact O-N 3.38Å; I299-L302 PolarHBondContact O-N 2.89Å; L302-S305 PolarHBondContact O-N 3.07Å; L302-F306 WeakPolarHBondContact O-CB 3.22Å; L302-F306 PolarHBondContact O-N 2.92Å |
| 303 | I | 91.2 | Very high | 86.3 | Confident | 31 Ų | 31 | 42.8 Ų | 42.8 | 16% | 0.159 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 178.5 | -60 | 168.1 | 0 | 0 | 0 | 110.4 | L44 I47 V50 I299 N300 S305 F306 I307 | L44-I303 HydrophobicContact CB-CG2 4.34Å; L44-I303 HydrophobicContact CD2-CG2 4.34Å; I47-I303 HydrophobicContact CD1-CD1 4.23Å; V50-I303 HydrophobicContact CG1-CB 3.59Å; V50-I303 HydrophobicContact CG1-CG2 3.4Å; I299-I303 HydrophobicContact CG2-CD1 3.78Å; I299-I303 HydrophobicContact CG2-CG1 4.44Å; I299-I303 WeakPolarHBondContact O-CG1 2.97Å; I299-I303 PolarHBondContact O-N 3.19Å; N300-I303 PolarHBondContact O-N 2.83Å; I303-S305 PolarHBondContact O-N 2.8Å; I303-F306 WeakPolarHBondContact O-CB 3.46Å; I303-F306 PolarHBondContact O-N 3.01Å; I303-I307 HydrophobicContact CG2-CD1 3.78Å; I303-I307 HydrophobicContact CG2-CG1 4.27Å; I303-I307 WeakPolarHBondContact O-CG1 3.36Å; I303-I307 PolarHBondContact O-N 3.38Å |
| 304 | T | 90.6 | Very high | 87 | Confident | 17 Ų | 17 | 39 Ų | 39 | 10% | 0.104 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.5 | -47 | 175.9 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | V50 P52 N300 F306 I307 M308 | V50-T304 PolarHBondContact O-OG1 2.82Å; V50-T304 VanDerWaalsContact O-OG1 3.1Å; P52-T304 HydrophobicContact CG-CG2 4.25Å; N300-T304 VanDerWaalsContact O-CB 3.25Å; N300-T304 WeakPolarHBondContact O-CB 3.44Å; N300-T304 PolarHBondContact O-N 2.98Å; N300-T304 PolarHBondContact O-OG1 3.02Å; T304-F306 VanDerWaalsContact C-N 3.32Å; T304-F306 PolarHBondContact O-N 2.99Å; T304-I307 PolarHBondContact O-N 3.18Å; T304-M308 WeakPolarHBondContact O-CB 3.38Å; T304-M308 PolarHBondContact O-N 3.02Å |
| 305 | S | 89.5 | Confident | 87.2 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.1 | -43.2 | 175.4 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | T269 M301 L302 I303 M308 Y309 | T269-S305 VanDerWaalsContact OG1-CB 3.28Å; T269-S305 WeakPolarHBondContact OG1-CB 3.09Å; T269-S305 PolarHBondContact OG1-OG 3.31Å; T269-S305 VanDerWaalsContact OG1-OG 3.04Å; M301-S305 VanDerWaalsContact O-CB 3.31Å; M301-S305 WeakPolarHBondContact O-CB 2.99Å; M301-S305 PolarHBondContact O-N 2.86Å; M301-S305 PolarHBondContact O-OG 3.31Å; L302-S305 PolarHBondContact O-N 3.07Å; I303-S305 PolarHBondContact O-N 2.8Å; S305-M308 PolarHBondContact O-N 3.01Å; S305-Y309 VanDerWaalsContact O-CD2 3.27Å; S305-Y309 WeakPolarHBondContact O-CD2 3.03Å; S305-Y309 PolarHBondContact O-N 3.43Å |
| 306 | F | 91.3 | Very high | 87.4 | Confident | 30 Ų | 30 | 29.4 Ų | 29.4 | 13% | 0.132 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | 177.4 | -169.1 | -110.5 | 0 | 0 | 0 | 112.8 | F37 I41 L44 F259 L262 L263 T266 L302 I303 T304 M308 H310 | F37-F306 HydrophobicContact CE2-CE1 4.49Å; F37-F306 AromaticContact CE2-CZ 3.87Å; F37-F306 HydrophobicContact CE2-CZ 3.87Å; I41-F306 HydrophobicContact CD1-CD1 3.52Å; I41-F306 HydrophobicContact CD1-CE1 3.18Å; I41-F306 HydrophobicContact CD1-CZ 4Å; I41-F306 HydrophobicContact CG1-CE1 4.36Å; L44-F306 HydrophobicContact CD1-CD1 3.82Å; L44-F306 HydrophobicContact CD1-CE1 3.9Å; F259-F306 HydrophobicContact CE2-CE2 4.27Å; F259-F306 HydrophobicContact CE2-CZ 4.15Å; L262-F306 HydrophobicContact CD2-CE2 3.97Å; L262-F306 HydrophobicContact CD2-CZ 4.48Å; L262-F306 HydrophobicContact CG-CE2 4.27Å; L263-F306 HydrophobicContact CD2-CD2 4.46Å; L263-F306 HydrophobicContact CD2-CE2 3.96Å; T266-F306 HydrophobicContact CG2-CB 4.24Å; T266-F306 HydrophobicContact CG2-CD2 3.99Å; L302-F306 WeakPolarHBondContact O-CB 3.22Å; L302-F306 PolarHBondContact O-N 2.92Å; I303-F306 WeakPolarHBondContact O-CB 3.46Å; I303-F306 PolarHBondContact O-N 3.01Å; T304-F306 VanDerWaalsContact C-N 3.32Å; T304-F306 PolarHBondContact O-N 2.99Å; F306-M308 VanDerWaalsContact C-N 3.34Å; F306-H310 PolarHBondContact O-N 3Å |
| 307 | I | 90.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68 | -33.9 | 175.7 | -63.4 | 168.8 | 0 | 0 | 0 | 110.9 | L44 Q45 V50 P52 I303 T304 Y309 H310 | L44-I307 HydrophobicContact CB-CD1 4.39Å; Q45-I307 HydrophobicContact CG-CD1 4.06Å; Q45-I307 HydrophobicContact CG-CG1 4.27Å; Q45-I307 HydrophobicContact CG-CG2 3.84Å; V50-I307 HydrophobicContact CG1-CD1 4.31Å; P52-I307 HydrophobicContact CG-CG2 4.33Å; I303-I307 HydrophobicContact CG2-CD1 3.78Å; I303-I307 HydrophobicContact CG2-CG1 4.27Å; I303-I307 WeakPolarHBondContact O-CG1 3.36Å; I303-I307 PolarHBondContact O-N 3.38Å; T304-I307 PolarHBondContact O-N 3.18Å; I307-Y309 VanDerWaalsContact C-N 3.32Å; I307-Y309 PolarHBondContact O-N 3.41Å; I307-H310 PolarHBondContact O-ND1 2.81Å |
| 308 | M | 88.3 | Confident | 87.5 | Confident | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.02 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.2 | -38 | -179.6 | -169.2 | 170 | 72.3 | 0 | 0 | 112.5 | T304 S305 F306 Q839 A843 | T304-M308 WeakPolarHBondContact O-CB 3.38Å; T304-M308 PolarHBondContact O-N 3.02Å; S305-M308 PolarHBondContact O-N 3.01Å; F306-M308 VanDerWaalsContact C-N 3.34Å; M308-Q839 VanDerWaalsContact CG-OE1 3.29Å; M308-A843 HydrophobicContact CE-CB 4.21Å |
| 309 | Y | 89.6 | Confident | 87.3 | Confident | 3 Ų | 3 | 20.4 Ų | 20.4 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -98.4 | -5.4 | -176 | -61.9 | -51.9 | 0 | 0 | 0 | 115 | L262 L265 T266 T269 S305 I307 T311 M312 F840 | L262-Y309 VanDerWaalsContact CD1-C 3.44Å; L262-Y309 HydrophobicContact CD1-CG 4.47Å; L262-Y309 WeakPolarHBondContact CD1-O 3.49Å; L265-Y309 HydrophobicContact CB-CD2 4.08Å; L265-Y309 HydrophobicContact CB-CE2 4.18Å; T266-Y309 HydrophobicContact CG2-CD2 3.82Å; T269-Y309 HydrophobicContact CG2-CE2 3.67Å; T269-Y309 WeakPolarHBondContact CG2-OH 3.44Å; S305-Y309 VanDerWaalsContact O-CD2 3.27Å; S305-Y309 WeakPolarHBondContact O-CD2 3.03Å; S305-Y309 PolarHBondContact O-N 3.43Å; I307-Y309 VanDerWaalsContact C-N 3.32Å; I307-Y309 PolarHBondContact O-N 3.41Å; Y309-T311 PolarHBondContact O-N 3.4Å; Y309-T311 VanDerWaalsContact O-N 3.09Å; Y309-M312 WeakPolarHBondContact O-CB 3.5Å; Y309-M312 PolarHBondContact O-N 3.34Å; Y309-F840 HydrophobicContact CE1-CB 3.73Å; Y309-F840 HydrophobicContact CE1-CD2 4.44Å; Y309-F840 AromaticContact CZ-CD2 3.91Å; Y309-F840 WeakPolarHBondContact OH-CA 3.47Å; Y309-F840 WeakPolarHBondContact OH-CD2 3.2Å |
| 310 | H | 89.1 | Confident | 87.3 | Confident | 3 Ų | 3 | 17.4 Ų | 17.4 | 1% | 0.014 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -57 | -32.8 | -171.1 | 82.7 | -87.6 | 0 | 0 | 0 | 114.5 | F37 I41 Q45 T58 F306 I307 M312 V313 | F37-H310 HydrophobicContact CZ-CB 4.04Å; I41-H310 HydrophobicContact CD1-CB 3.56Å; I41-H310 HydrophobicContact CG1-CB 3.93Å; I41-H310 HydrophobicContact CG2-CB 4.21Å; Q45-H310 PolarHBondContact NE2-CE1 3.46Å; T58-H310 PolarHBondContact OG1-NE2 3.05Å; F306-H310 PolarHBondContact O-N 3Å; I307-H310 PolarHBondContact O-ND1 2.81Å; H310-M312 PolarHBondContact O-N 2.98Å; H310-V313 PolarHBondContact O-N 3.48Å |
| 311 | T | 85.9 | Confident | 87.3 | Confident | 13 Ų | 13 | 15.8 Ų | 15.8 | 8% | 0.08 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -71.7 | -6 | -179.1 | 48.2 | 0 | 0 | 0 | 0 | 113.5 | Y309 V313 N832 Y836 | Y309-T311 PolarHBondContact O-N 3.4Å; Y309-T311 VanDerWaalsContact O-N 3.09Å; T311-V313 PolarHBondContact O-N 3.48Å; T311-N832 PolarHBondContact O-OD1 3Å; T311-Y836 VanDerWaalsContact C-CD2 3.44Å; T311-Y836 WeakPolarHBondContact CB-OH 3.39Å; T311-Y836 HydrophobicContact CG2-CE1 4.1Å; T311-Y836 HydrophobicContact CG2-CE2 4.42Å; T311-Y836 WeakPolarHBondContact O-CD2 3.32Å; T311-Y836 WeakPolarHBondContact O-CE2 3.35Å; T311-Y836 WeakPolarHBondContact OG1-CD1 3.44Å; T311-Y836 WeakPolarHBondContact OG1-CD2 3.29Å; T311-Y836 WeakPolarHBondContact OG1-CE1 3.4Å; T311-Y836 WeakPolarHBondContact OG1-CE2 3.2Å |
| 312 | M | 87.5 | Confident | 87.2 | Confident | 9 Ų | 9 | 14.8 Ų | 14.8 | 4% | 0.044 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -56 | -32 | 166.5 | -172.7 | 174.5 | 171.1 | 0 | 0 | 111.2 | L258 V261 L265 Y309 H310 P314 V833 | L258-M312 HydrophobicContact CD2-CE 3.61Å; V261-M312 HydrophobicContact CB-CE 3.96Å; V261-M312 HydrophobicContact CG1-CE 3.54Å; V261-M312 HydrophobicContact CG1-SD 4.33Å; L265-M312 HydrophobicContact CD1-SD 4.16Å; Y309-M312 WeakPolarHBondContact O-CB 3.5Å; Y309-M312 PolarHBondContact O-N 3.34Å; H310-M312 PolarHBondContact O-N 2.98Å; M312-P314 WeakPolarHBondContact O-CD 3.19Å; M312-V833 HydrophobicContact CE-CG1 4.18Å; M312-V833 HydrophobicContact CE-CG2 3.91Å; M312-V833 HydrophobicContact CG-CG2 3.93Å |
| 313 | V | 86.7 | Confident | 87 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.012 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -84.8 | 116.7 | 168.1 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | F37 F38 I255 H310 T311 I315 | F37-V313 HydrophobicContact CD1-CB 4.41Å; F37-V313 HydrophobicContact CD1-CG1 4.48Å; F37-V313 HydrophobicContact CE1-CB 3.89Å; F37-V313 HydrophobicContact CE1-CG1 4.43Å; F37-V313 HydrophobicContact CE1-CG2 4.06Å; F37-V313 HydrophobicContact CZ-CG2 4.34Å; F38-V313 HydrophobicContact CE1-CB 4.42Å; F38-V313 HydrophobicContact CE1-CG1 4.45Å; F38-V313 HydrophobicContact CZ-CB 4.26Å; F38-V313 HydrophobicContact CZ-CG1 3.86Å; F38-V313 WeakPolarHBondContact CZ-O 3.29Å; I255-V313 HydrophobicContact CG2-CG1 3.95Å; H310-V313 PolarHBondContact O-N 3.48Å; T311-V313 PolarHBondContact O-N 3.48Å; V313-I315 PolarHBondContact O-N 3.36Å; V313-I315 VanDerWaalsContact O-N 3.09Å |
| 314 | P | 84.7 | Confident | 87 | Confident | 4 Ų | 4 | 13 Ų | 13 | 3% | 0.026 | 7% | 0.073 | C | C | . | . | trans | -72.3 | 106.7 | -171.9 | 28.3 | -35.8 | 0 | 0 | 0 | 112.5 | M312 S316 L317 F829 N832 | M312-P314 WeakPolarHBondContact O-CD 3.19Å; P314-S316 PolarHBondContact O-N 3.47Å; P314-L317 HydrophobicContact CB-CB 3.8Å; P314-L317 HydrophobicContact CG-CB 3.59Å; P314-L317 HydrophobicContact CG-CD2 3.83Å; P314-L317 HydrophobicContact CG-CG 4.33Å; P314-L317 WeakPolarHBondContact O-CB 3.43Å; P314-L317 PolarHBondContact O-N 2.87Å; P314-F829 HydrophobicContact CG-CD1 3.84Å; P314-F829 HydrophobicContact CG-CE1 3.83Å; P314-N832 HydrophobicContact CB-CB 4.48Å; P314-N832 WeakPolarHBondContact CB-ND2 3.44Å | ||
| 315 | I | 81.7 | Confident | 87.1 | Confident | 19 Ų | 19 | 12.6 Ų | 12.6 | 10% | 0.097 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -56.2 | -42.7 | 171.8 | -63.7 | 164.5 | 0 | 0 | 0 | 110.5 | F38 T58 P61 I65 V313 L317 | F38-I315 HydrophobicContact CD1-CD1 3.99Å; F38-I315 HydrophobicContact CD1-CG1 3.41Å; F38-I315 VanDerWaalsContact CD1-CG1 3.41Å; F38-I315 HydrophobicContact CD2-CG1 4.13Å; F38-I315 HydrophobicContact CE1-CB 4.2Å; F38-I315 HydrophobicContact CE1-CD1 3.95Å; F38-I315 HydrophobicContact CE1-CG1 3.06Å; F38-I315 HydrophobicContact CE2-CB 4.2Å; F38-I315 HydrophobicContact CE2-CG1 3.83Å; F38-I315 HydrophobicContact CG-CG1 3.95Å; F38-I315 VanDerWaalsContact CZ-CA 3.5Å; F38-I315 HydrophobicContact CZ-CB 3.96Å; F38-I315 HydrophobicContact CZ-CG1 3.29Å; T58-I315 HydrophobicContact CG2-CD1 3.96Å; P61-I315 HydrophobicContact CB-CG2 4.14Å; I65-I315 HydrophobicContact CD1-CG2 3.29Å; I65-I315 WeakPolarHBondContact CD1-O 3.45Å; V313-I315 PolarHBondContact O-N 3.36Å; V313-I315 VanDerWaalsContact O-N 3.09Å; I315-L317 VanDerWaalsContact C-N 3.28Å; I315-L317 PolarHBondContact O-N 3.29Å |
| 316 | S | 84.4 | Confident | 87 | Confident | 17 Ų | 17 | 15.8 Ų | 15.8 | 12% | 0.119 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -71.9 | -15.1 | -177.3 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | P314 Q318 V319 C320 | P314-S316 PolarHBondContact O-N 3.47Å; S316-Q318 VanDerWaalsContact C-N 3.34Å; S316-Q318 PolarHBondContact O-N 2.88Å; S316-V319 PolarHBondContact O-N 3.38Å; S316-C320 WeakPolarHBondContact O-CB 3.47Å; S316-C320 PolarHBondContact O-N 3.46Å; S316-C320 PolarHBondContact O-SG 3.14Å |
| 317 | L | 86.5 | Confident | 87 | Confident | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | -177.9 | 175 | 62.1 | 0 | 0 | 0 | 111.1 | T251 P314 I315 V319 C320 L321 L824 I825 F829 | T251-L317 HydrophobicContact CG2-CD2 4.11Å; P314-L317 HydrophobicContact CB-CB 3.8Å; P314-L317 HydrophobicContact CG-CB 3.59Å; P314-L317 HydrophobicContact CG-CD2 3.83Å; P314-L317 HydrophobicContact CG-CG 4.33Å; P314-L317 WeakPolarHBondContact O-CB 3.43Å; P314-L317 PolarHBondContact O-N 2.87Å; I315-L317 VanDerWaalsContact C-N 3.28Å; I315-L317 PolarHBondContact O-N 3.29Å; L317-V319 PolarHBondContact O-N 2.97Å; L317-C320 PolarHBondContact O-N 3.4Å; L317-L321 HydrophobicContact CD1-CD1 3.85Å; L317-L321 HydrophobicContact CD1-CD2 4.31Å; L317-L321 HydrophobicContact CD1-CG 3.87Å; L317-L321 HydrophobicContact CG-CD1 3.85Å; L317-L321 HydrophobicContact CG-CG 4.29Å; L317-L321 WeakPolarHBondContact O-CB 3.49Å; L317-L321 WeakPolarHBondContact O-CG 3.25Å; L317-L321 PolarHBondContact O-N 3.36Å; L317-L824 HydrophobicContact CD1-CD2 3.88Å; L317-I825 HydrophobicContact CD1-CG1 4.31Å; L317-F829 HydrophobicContact CD2-CE1 3.89Å; L317-F829 HydrophobicContact CD2-CE2 4.3Å; L317-F829 HydrophobicContact CD2-CZ 3.71Å |
| 318 | Q | 81.5 | Confident | 87.2 | Confident | 22 Ų | 22 | 16.7 Ų | 16.7 | 10% | 0.103 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | -176.8 | -66.4 | -166.3 | -25.2 | 0 | 0 | 112.1 | A34 N35 S316 L321 E322 | A34-Q318 VanDerWaalsContact CB-NE2 3.29Å; N35-Q318 PolarHBondContact OD1-OE1 3.02Å; S316-Q318 VanDerWaalsContact C-N 3.34Å; S316-Q318 PolarHBondContact O-N 2.88Å; Q318-L321 PolarHBondContact O-N 3.41Å; Q318-E322 WeakPolarHBondContact O-CG 3.32Å; Q318-E322 PolarHBondContact O-N 2.92Å |
| 319 | V | 81.6 | Confident | 87.3 | Confident | 31 Ų | 31 | 16.8 Ų | 16.8 | 19% | 0.188 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.4 | -42.6 | 176 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | I65 S316 L317 L321 E322 V323 | I65-V319 HydrophobicContact CB-CG2 3.83Å; I65-V319 HydrophobicContact CD1-CG2 3.99Å; I65-V319 HydrophobicContact CG1-CG2 3.42Å; I65-V319 VanDerWaalsContact CG1-CG2 3.42Å; I65-V319 HydrophobicContact CG2-CG2 3.61Å; S316-V319 PolarHBondContact O-N 3.38Å; L317-V319 PolarHBondContact O-N 2.97Å; V319-L321 VanDerWaalsContact C-N 3.26Å; V319-L321 PolarHBondContact O-N 3.41Å; V319-E322 PolarHBondContact O-N 3.08Å; V319-V323 HydrophobicContact CG1-CG2 3.96Å; V319-V323 WeakPolarHBondContact O-CB 3.46Å; V319-V323 VanDerWaalsContact O-CG2 3.3Å; V319-V323 WeakPolarHBondContact O-CG2 3.26Å; V319-V323 PolarHBondContact O-N 2.96Å |
| 320 | C | 87.6 | Confident | 87.4 | Confident | 18 Ų | 18 | 20.8 Ų | 20.8 | 12% | 0.122 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.3 | -43.1 | 176.8 | -69.3 | 0 | 0 | 0 | 0 | 110.8 | S316 L317 V324 | S316-C320 WeakPolarHBondContact O-CB 3.47Å; S316-C320 PolarHBondContact O-N 3.46Å; S316-C320 PolarHBondContact O-SG 3.14Å; L317-C320 PolarHBondContact O-N 3.4Å; C320-V324 WeakPolarHBondContact O-CB 3.49Å; C320-V324 WeakPolarHBondContact O-CG2 3.01Å; C320-V324 PolarHBondContact O-N 3.12Å |
| 321 | L | 88.2 | Confident | 87.5 | Confident | 13 Ų | 13 | 24.7 Ų | 24.7 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 176.2 | -68.9 | 173.4 | 0 | 0 | 0 | 111.8 | L317 Q318 V319 V324 R325 L821 L824 I825 | L317-L321 HydrophobicContact CD1-CD1 3.85Å; L317-L321 HydrophobicContact CD1-CD2 4.31Å; L317-L321 HydrophobicContact CD1-CG 3.87Å; L317-L321 HydrophobicContact CG-CD1 3.85Å; L317-L321 HydrophobicContact CG-CG 4.29Å; L317-L321 WeakPolarHBondContact O-CB 3.49Å; L317-L321 WeakPolarHBondContact O-CG 3.25Å; L317-L321 PolarHBondContact O-N 3.36Å; Q318-L321 PolarHBondContact O-N 3.41Å; V319-L321 VanDerWaalsContact C-N 3.26Å; V319-L321 PolarHBondContact O-N 3.41Å; L321-V324 PolarHBondContact O-N 2.5Å; L321-R325 WeakPolarHBondContact O-CB 3.47Å; L321-R325 WeakPolarHBondContact O-CD 3.49Å; L321-R325 WeakPolarHBondContact O-CG 3.35Å; L321-R325 PolarHBondContact O-N 3.14Å; L321-L821 HydrophobicContact CD2-CD1 3.3Å; L321-L821 HydrophobicContact CD2-CD2 4.39Å; L321-L821 HydrophobicContact CD2-CG 3.79Å; L321-L824 HydrophobicContact CD2-CD2 3.7Å; L321-L824 HydrophobicContact CG-CD2 4.31Å; L321-I825 HydrophobicContact CD1-CG1 4.35Å; L321-I825 HydrophobicContact CD2-CD1 4.11Å; L321-I825 HydrophobicContact CD2-CG1 3.7Å |
| 322 | E | 83.9 | Confident | 87.8 | Confident | 12 Ų | 12 | 24.1 Ų | 24.1 | 6% | 0.056 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | 179.7 | -74.5 | -171.1 | 171.5 | 0 | 0 | 112.5 | R32 S69 Q318 V319 L326 | R32-E322 IonicContact CZ-OE1 2.81Å; R32-E322 IonicContact NH1-OE1 2.7Å; R32-E322 PolarHBondContact NH1-OE1 3.13Å; R32-E322 IonicContact NH2-OE1 3.13Å; R32-E322 PolarHBondContact NH2-OE1 3.04Å; S69-E322 PolarHBondContact OG-OE2 3.34Å; Q318-E322 WeakPolarHBondContact O-CG 3.32Å; Q318-E322 PolarHBondContact O-N 2.92Å; V319-E322 PolarHBondContact O-N 3.08Å; E322-L326 WeakPolarHBondContact O-CB 3.43Å; E322-L326 PolarHBondContact O-N 3.49Å |
| 323 | V | 87.2 | Confident | 88 | Confident | 50 Ų | 50 | 25.4 Ų | 25.4 | 30% | 0.303 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 177.5 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | V319 R325 L326 V327 M872 | V319-V323 HydrophobicContact CG1-CG2 3.96Å; V319-V323 WeakPolarHBondContact O-CB 3.46Å; V319-V323 VanDerWaalsContact O-CG2 3.3Å; V319-V323 WeakPolarHBondContact O-CG2 3.26Å; V319-V323 PolarHBondContact O-N 2.96Å; V323-R325 PolarHBondContact O-N 3.01Å; V323-L326 PolarHBondContact O-N 3.36Å; V323-V327 HydrophobicContact CG1-CG2 4.48Å; V323-V327 WeakPolarHBondContact O-CG2 3.42Å; V323-V327 PolarHBondContact O-N 3.21Å; V323-M872 HydrophobicContact CG1-SD 4.31Å |
| 324 | V | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 179.3 | 166.9 | 0 | 0 | 0 | 0 | 111.2 | C320 L321 L326 V327 Q328 L821 L824 M872 G875 L876 | C320-V324 WeakPolarHBondContact O-CB 3.49Å; C320-V324 WeakPolarHBondContact O-CG2 3.01Å; C320-V324 PolarHBondContact O-N 3.12Å; L321-V324 PolarHBondContact O-N 2.5Å; V324-L326 VanDerWaalsContact C-N 3.34Å; V324-L326 PolarHBondContact O-N 2.81Å; V324-V327 PolarHBondContact O-N 2.78Å; V324-Q328 HydrophobicContact CG1-CG 4.23Å; V324-Q328 WeakPolarHBondContact O-CB 3.38Å; V324-Q328 WeakPolarHBondContact O-CG 3.41Å; V324-Q328 PolarHBondContact O-N 2.92Å; V324-L821 HydrophobicContact CG1-CD1 4.43Å; V324-L824 HydrophobicContact CB-CD1 4.24Å; V324-L824 HydrophobicContact CG1-CD1 4.27Å; V324-L824 HydrophobicContact CG2-CD1 3.73Å; V324-M872 HydrophobicContact CG2-CG 4.14Å; V324-G875 WeakPolarHBondContact CG1-O 3.48Å; V324-L876 HydrophobicContact CB-CD2 4.36Å; V324-L876 HydrophobicContact CG1-CD2 4.01Å; V324-L876 HydrophobicContact CG1-CG 4.49Å; V324-L876 HydrophobicContact CG2-CD2 4.35Å; V324-L876 HydrophobicContact CG2-CG 4.22Å |
| 325 | R | 91.2 | Very high | 88.7 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60 | -42.5 | 175.5 | -79.4 | 165.2 | 169.1 | 175.4 | 4.8 | 112 | E248 L321 V323 A329 S352 N355 E356 | E248-R325 IonicContact OE2-CZ 3.41Å; E248-R325 IonicContact OE2-NH1 3.05Å; E248-R325 PolarHBondContact OE2-NH1 3.28Å; E248-R325 VanDerWaalsContact OE2-NH1 3.16Å; E248-R325 IonicContact OE2-NH2 3.67Å; L321-R325 WeakPolarHBondContact O-CB 3.47Å; L321-R325 WeakPolarHBondContact O-CD 3.49Å; L321-R325 WeakPolarHBondContact O-CG 3.35Å; L321-R325 PolarHBondContact O-N 3.14Å; V323-R325 PolarHBondContact O-N 3.01Å; R325-A329 WeakPolarHBondContact O-CB 3.36Å; R325-A329 PolarHBondContact O-N 3.4Å; R325-S352 WeakPolarHBondContact CB-O 3.42Å; R325-N355 PolarHBondContact O-ND2 3.43Å; R325-E356 IonicContact CZ-OE1 3.23Å; R325-E356 IonicContact NE-OE1 3.92Å; R325-E356 PolarHBondContact NE-OE1 3.24Å; R325-E356 IonicContact NE-OE2 3.14Å; R325-E356 PolarHBondContact NE-OE2 3.38Å; R325-E356 IonicContact NH2-OE1 2.8Å; R325-E356 PolarHBondContact NH2-OE1 3.03Å |
| 326 | L | 88.8 | Confident | 89.2 | Confident | 71 Ų | 71 | 37.2 Ų | 37.2 | 37% | 0.372 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.4 | -47.9 | 176.9 | -179.4 | 65.2 | 0 | 0 | 0 | 111.8 | E322 V323 V324 A329 L330 | E322-L326 WeakPolarHBondContact O-CB 3.43Å; E322-L326 PolarHBondContact O-N 3.49Å; V323-L326 PolarHBondContact O-N 3.36Å; V324-L326 VanDerWaalsContact C-N 3.34Å; V324-L326 PolarHBondContact O-N 2.81Å; L326-A329 WeakPolarHBondContact O-CB 3.49Å; L326-A329 PolarHBondContact O-N 2.63Å; L326-L330 WeakPolarHBondContact O-CG 3.47Å; L326-L330 PolarHBondContact O-N 2.99Å |
| 327 | V | 91.8 | Very high | 89.6 | Confident | 46 Ų | 46 | 41.5 Ų | 41.5 | 28% | 0.279 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.6 | -38.4 | 179.7 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | V323 V324 A329 L330 L331 L876 | V323-V327 HydrophobicContact CG1-CG2 4.48Å; V323-V327 WeakPolarHBondContact O-CG2 3.42Å; V323-V327 PolarHBondContact O-N 3.21Å; V324-V327 PolarHBondContact O-N 2.78Å; V327-A329 VanDerWaalsContact C-N 3.31Å; V327-A329 PolarHBondContact O-N 3.2Å; V327-L330 PolarHBondContact O-N 3.46Å; V327-L331 HydrophobicContact CG1-CD1 4.17Å; V327-L331 HydrophobicContact CG1-CG 4.3Å; V327-L331 VanDerWaalsContact O-CG 3.32Å; V327-L331 WeakPolarHBondContact O-CG 3.36Å; V327-L331 PolarHBondContact O-N 3.1Å; V327-L876 HydrophobicContact CB-CD1 4.39Å; V327-L876 HydrophobicContact CB-CD2 3.68Å; V327-L876 HydrophobicContact CG1-CD1 4.05Å; V327-L876 HydrophobicContact CG1-CD2 3.61Å; V327-L876 HydrophobicContact CG1-CG 4.45Å |
| 328 | Q | 93.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 172.3 | -76.8 | 173.9 | -5.8 | 0 | 0 | 111.9 | V324 L331 L332 N355 G875 L876 | V324-Q328 HydrophobicContact CG1-CG 4.23Å; V324-Q328 WeakPolarHBondContact O-CB 3.38Å; V324-Q328 WeakPolarHBondContact O-CG 3.41Å; V324-Q328 PolarHBondContact O-N 2.92Å; Q328-L331 PolarHBondContact O-N 3.37Å; Q328-L332 WeakPolarHBondContact O-CB 3.5Å; Q328-L332 PolarHBondContact O-N 2.98Å; Q328-N355 WeakPolarHBondContact CB-ND2 3.38Å; Q328-G875 PolarHBondContact NE2-O 3.28Å; Q328-L876 HydrophobicContact CG-CD2 4.17Å |
| 329 | A | 91.1 | Very high | 90.4 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.3 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R325 L326 V327 S333 A349 N355 | R325-A329 WeakPolarHBondContact O-CB 3.36Å; R325-A329 PolarHBondContact O-N 3.4Å; L326-A329 WeakPolarHBondContact O-CB 3.49Å; L326-A329 PolarHBondContact O-N 2.63Å; V327-A329 VanDerWaalsContact C-N 3.31Å; V327-A329 PolarHBondContact O-N 3.2Å; A329-S333 PolarHBondContact O-N 2.87Å; A329-S333 VanDerWaalsContact O-N 3.09Å; A329-S333 PolarHBondContact O-OG 3.18Å; A329-A349 HydrophobicContact CB-CB 3.68Å; A329-N355 PolarHBondContact N-ND2 3.34Å |
| 330 | L | 91 | Very high | 90.8 | Very high | 88 Ų | 88 | 43.3 Ų | 43.3 | 46% | 0.461 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.3 | -46.7 | 172.3 | -68.7 | 171.9 | 0 | 0 | 0 | 111.8 | L326 V327 L332 S333 C334 | L326-L330 WeakPolarHBondContact O-CG 3.47Å; L326-L330 PolarHBondContact O-N 2.99Å; V327-L330 PolarHBondContact O-N 3.46Å; L330-L332 VanDerWaalsContact C-N 3.26Å; L330-L332 PolarHBondContact O-N 2.62Å; L330-S333 PolarHBondContact O-N 2.95Å; L330-C334 PolarHBondContact O-N 3.41Å; L330-C334 PolarHBondContact O-SG 3.32Å; L330-C334 VanDerWaalsContact O-SG 3.4Å |
| 331 | L | 91.9 | Very high | 90.9 | Very high | 84 Ų | 84 | 46.5 Ų | 46.5 | 44% | 0.44 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -36.8 | 177.7 | -70.9 | 173.8 | 0 | 0 | 0 | 112.2 | V327 Q328 C334 D335 | V327-L331 HydrophobicContact CG1-CD1 4.17Å; V327-L331 HydrophobicContact CG1-CG 4.3Å; V327-L331 VanDerWaalsContact O-CG 3.32Å; V327-L331 WeakPolarHBondContact O-CG 3.36Å; V327-L331 PolarHBondContact O-N 3.1Å; Q328-L331 PolarHBondContact O-N 3.37Å; L331-C334 PolarHBondContact O-N 2.99Å; L331-D335 PolarHBondContact O-N 2.85Å |
| 332 | L | 92.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 172.6 | -175.7 | 162.1 | 0 | 0 | 0 | 111.3 | Q328 L330 C334 D335 M338 A347 A349 Y798 L809 H813 | Q328-L332 WeakPolarHBondContact O-CB 3.5Å; Q328-L332 PolarHBondContact O-N 2.98Å; L330-L332 VanDerWaalsContact C-N 3.26Å; L330-L332 PolarHBondContact O-N 2.62Å; L332-C334 VanDerWaalsContact C-N 3.27Å; L332-C334 PolarHBondContact O-N 2.73Å; L332-D335 WeakPolarHBondContact O-CB 3.46Å; L332-D335 PolarHBondContact O-N 3.29Å; L332-M338 HydrophobicContact CD2-CE 3.91Å; L332-M338 HydrophobicContact CG-CE 3.88Å; L332-M338 WeakPolarHBondContact O-CE 3.24Å; L332-A347 HydrophobicContact CD2-CB 4.2Å; L332-A349 HydrophobicContact CD2-CB 4.39Å; L332-Y798 HydrophobicContact CD1-CD1 4.28Å; L332-Y798 HydrophobicContact CD1-CE1 3.98Å; L332-L809 HydrophobicContact CD1-CD1 3.59Å; L332-L809 HydrophobicContact CD2-CD1 4.28Å; L332-L809 HydrophobicContact CG-CD1 4.16Å; L332-H813 HydrophobicContact CD1-CB 4.45Å |
| 333 | S | 90.7 | Very high | 90.6 | Very high | 35 Ų | 35 | 53.9 Ų | 53.9 | 25% | 0.245 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.9 | -17.9 | -177.7 | -50 | 0 | 0 | 0 | 0 | 113.3 | A329 L330 A347 A349 | A329-S333 PolarHBondContact O-N 2.87Å; A329-S333 VanDerWaalsContact O-N 3.09Å; A329-S333 PolarHBondContact O-OG 3.18Å; L330-S333 PolarHBondContact O-N 2.95Å; S333-A347 WeakPolarHBondContact CA-O 3.36Å; S333-A347 WeakPolarHBondContact CB-O 3.48Å; S333-A349 PolarHBondContact OG-N 3.47Å |
| 334 | C | 91.9 | Very high | 90.6 | Very high | 102 Ų | 102 | 56.8 Ų | 56.8 | 69% | 0.689 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 9.4 | 173.5 | -64.1 | 0 | 0 | 0 | 0 | 113.4 | L330 L331 L332 L336 | L330-C334 PolarHBondContact O-N 3.41Å; L330-C334 PolarHBondContact O-SG 3.32Å; L330-C334 VanDerWaalsContact O-SG 3.4Å; L331-C334 PolarHBondContact O-N 2.99Å; L332-C334 VanDerWaalsContact C-N 3.27Å; L332-C334 PolarHBondContact O-N 2.73Å; C334-L336 PolarHBondContact O-N 2.76Å |
| 335 | D | 94.1 | Very high | 90.1 | Very high | 28 Ų | 28 | 58 Ų | 58 | 15% | 0.15 | 32% | 0.324 | C | S | . | . | trans | -80.1 | 109.7 | 179.5 | -169.4 | -2.6 | 0 | 0 | 0 | 111.3 | L331 L332 D337 M338 K808 H813 | L331-D335 PolarHBondContact O-N 2.85Å; L332-D335 WeakPolarHBondContact O-CB 3.46Å; L332-D335 PolarHBondContact O-N 3.29Å; D335-D337 VanDerWaalsContact C-N 3.25Å; D335-D337 PolarHBondContact O-N 3.31Å; D335-D337 PolarHBondContact OD1-N 3.26Å; D335-M338 HydrophobicContact CB-CE 3.79Å; D335-M338 PolarHBondContact O-N 2.7Å; D335-M338 VanDerWaalsContact O-N 3.09Å; D335-K808 VanDerWaalsContact CG-NZ 3.26Å; D335-K808 IonicContact OD1-NZ 2.72Å; D335-K808 PolarHBondContact OD1-NZ 3.49Å; D335-K808 VanDerWaalsContact OD2-CE 3.26Å; D335-K808 WeakPolarHBondContact OD2-CE 3.34Å; D335-K808 IonicContact OD2-NZ 2.86Å; D335-K808 PolarHBondContact OD2-NZ 3.42Å; D335-H813 IonicContact OD2-CD2 2.83Å; D335-H813 IonicContact OD2-CE1 2.77Å; D335-H813 IonicContact OD2-NE2 2.75Å; D335-H813 PolarHBondContact OD2-NE2 3.12Å | ||
| 336 | L | 93.3 | Very high | 90 | Very high | 143 Ų | 143 | 60.3 Ų | 60.3 | 75% | 0.749 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -63.4 | -26.6 | -178.4 | -67.2 | 174.1 | 0 | 0 | 0 | 113.5 | C334 M338 Y339 | C334-L336 PolarHBondContact O-N 2.76Å; L336-M338 PolarHBondContact O-N 2.9Å; L336-Y339 WeakPolarHBondContact O-CB 3.22Å; L336-Y339 PolarHBondContact O-N 2.67Å |
| 337 | D | 91.9 | Very high | 90.1 | Very high | 108 Ų | 108 | 57 Ų | 57 | 58% | 0.578 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -75.2 | -8.9 | 178.1 | -60.2 | -26.5 | 0 | 0 | 0 | 112.6 | D335 F805 K808 | D335-D337 VanDerWaalsContact C-N 3.25Å; D335-D337 PolarHBondContact O-N 3.31Å; D335-D337 PolarHBondContact OD1-N 3.26Å; D337-F805 WeakPolarHBondContact O-CD1 3.44Å; D337-F805 VanDerWaalsContact O-CE1 3.25Å; D337-F805 WeakPolarHBondContact O-CE1 3.39Å; D337-K808 HydrophobicContact CB-CD 3.88Å; D337-K808 VanDerWaalsContact CB-NZ 3.28Å; D337-K808 VanDerWaalsContact CG-NZ 3.33Å; D337-K808 IonicContact OD2-NZ 3.84Å; D337-K808 PolarHBondContact OD2-NZ 3.11Å |
| 338 | M | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -112.9 | 21.6 | 174.5 | -56.6 | -167.2 | -60.6 | 0 | 0 | 112.1 | L332 D335 L336 A347 F805 K808 L809 H813 | L332-M338 HydrophobicContact CD2-CE 3.91Å; L332-M338 HydrophobicContact CG-CE 3.88Å; L332-M338 WeakPolarHBondContact O-CE 3.24Å; D335-M338 HydrophobicContact CB-CE 3.79Å; D335-M338 PolarHBondContact O-N 2.7Å; D335-M338 VanDerWaalsContact O-N 3.09Å; L336-M338 PolarHBondContact O-N 2.9Å; M338-A347 HydrophobicContact CB-CB 3.81Å; M338-A347 HydrophobicContact CE-CB 4.08Å; M338-A347 PolarHBondContact O-N 3.09Å; M338-F805 HydrophobicContact CB-CB 4.37Å; M338-F805 HydrophobicContact CB-CD1 4.36Å; M338-F805 HydrophobicContact CB-CG 4.23Å; M338-F805 HydrophobicContact CG-CB 4.33Å; M338-F805 HydrophobicContact CG-CD1 4.49Å; M338-K808 HydrophobicContact CG-CB 4.43Å; M338-K808 HydrophobicContact CG-CD 4.18Å; M338-K808 HydrophobicContact SD-CB 4.31Å; M338-L809 HydrophobicContact SD-CB 4.2Å; M338-H813 WeakPolarHBondContact CE-NE2 3.27Å |
| 339 | Y | 92.5 | Very high | 89.6 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 34% | 0.341 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 133.6 | 171.8 | 170.3 | -102.2 | 0 | 0 | 0 | 109.7 | L336 D344 P346 | L336-Y339 WeakPolarHBondContact O-CB 3.22Å; L336-Y339 PolarHBondContact O-N 2.67Å; Y339-D344 WeakPolarHBondContact CE2-OD1 3.47Å; Y339-D344 PolarHBondContact OH-OD1 3.1Å; Y339-P346 HydrophobicContact CD2-CB 4.2Å |
| 340 | D | 89.8 | Confident | 88.9 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 117.9 | 176 | -171.4 | 53.4 | 0 | 0 | 0 | 110.7 | D342 S343 D344 T345 A801 Q802 R804 F805 | D340-D342 VanDerWaalsContact C-N 3.32Å; D340-D342 PolarHBondContact O-N 3.1Å; D340-S343 WeakPolarHBondContact OD2-CB 3.29Å; D340-S343 PolarHBondContact OD2-N 2.54Å; D340-S343 PolarHBondContact OD2-OG 3.35Å; D340-D344 WeakPolarHBondContact O-CA 3.39Å; D340-D344 PolarHBondContact O-N 2.99Å; D340-D344 VanDerWaalsContact O-N 3.11Å; D340-T345 PolarHBondContact N-O 2.93Å; D340-T345 VanDerWaalsContact N-O 3.12Å; D340-T345 PolarHBondContact O-N 2.85Å; D340-A801 HydrophobicContact CB-CB 3.35Å; D340-Q802 PolarHBondContact OD1-NE2 2.66Å; D340-Q802 PolarHBondContact OD2-NE2 3.02Å; D340-R804 IonicContact OD1-NH2 2.95Å; D340-F805 HydrophobicContact CB-CE2 3.97Å; D340-F805 HydrophobicContact CB-CZ 4.19Å |
| 341 | S | 89.6 | Confident | 88.4 | Confident | 84 Ų | 84 | 61.8 Ų | 61.8 | 59% | 0.587 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -32.2 | -178.5 | 51.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 342 | D | 85.3 | Confident | 88 | Confident | 138 Ų | 138 | 58 Ų | 58 | 74% | 0.738 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -35.7 | -170.9 | -60.6 | -12.6 | 0 | 0 | 0 | 111.5 | D340 | D340-D342 VanDerWaalsContact C-N 3.32Å; D340-D342 PolarHBondContact O-N 3.1Å |
| 343 | S | 81 | Confident | 87.6 | Confident | 42 Ų | 42 | 59 Ų | 59 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -6.8 | 178 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | D340 T345 | D340-S343 WeakPolarHBondContact OD2-CB 3.29Å; D340-S343 PolarHBondContact OD2-N 2.54Å; D340-S343 PolarHBondContact OD2-OG 3.35Å; S343-T345 WeakPolarHBondContact O-CG2 3.47Å; S343-T345 PolarHBondContact O-N 2.91Å; S343-T345 PolarHBondContact OG-OG1 3.32Å |
| 344 | D | 86.1 | Confident | 87.5 | Confident | 112 Ų | 112 | 57.3 Ų | 57.3 | 60% | 0.599 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 42.8 | -169.7 | -168.8 | 27.9 | 0 | 0 | 0 | 112.3 | Y339 D340 | Y339-D344 WeakPolarHBondContact CE2-OD1 3.47Å; Y339-D344 PolarHBondContact OH-OD1 3.1Å; D340-D344 WeakPolarHBondContact O-CA 3.39Å; D340-D344 PolarHBondContact O-N 2.99Å; D340-D344 VanDerWaalsContact O-N 3.11Å |
| 345 | T | 82.5 | Confident | 87.5 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 15% | 0.153 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.1 | -178.4 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | D340 S343 A801 | D340-T345 PolarHBondContact N-O 2.93Å; D340-T345 VanDerWaalsContact N-O 3.12Å; D340-T345 PolarHBondContact O-N 2.85Å; S343-T345 WeakPolarHBondContact O-CG2 3.47Å; S343-T345 PolarHBondContact O-N 2.91Å; S343-T345 PolarHBondContact OG-OG1 3.32Å; T345-A801 WeakPolarHBondContact OG1-CB 3.4Å |
| 346 | P | 89.1 | Confident | 87.4 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 157 | 170.2 | 32.8 | -33.9 | 0 | 0 | 0 | 111 | Y339 M348 | Y339-P346 HydrophobicContact CD2-CB 4.2Å; P346-M348 HydrophobicContact CG-CG 4.39Å; P346-M348 PolarHBondContact O-N 3.03Å |
| 347 | A | 90.2 | Very high | 87.3 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | trans | -60.6 | 133.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110 | L332 S333 M338 A799 I800 | L332-A347 HydrophobicContact CD2-CB 4.2Å; S333-A347 WeakPolarHBondContact CA-O 3.36Å; S333-A347 WeakPolarHBondContact CB-O 3.48Å; M338-A347 HydrophobicContact CB-CB 3.81Å; M338-A347 HydrophobicContact CE-CB 4.08Å; M338-A347 PolarHBondContact O-N 3.09Å; A347-A799 CarbonylContact C-O 3.57Å; A347-A799 WeakPolarHBondContact CA-O 3.5Å; A347-I800 HydrophobicContact CB-CG2 4.2Å | ||
| 348 | M | 86.9 | Confident | 87.4 | Confident | 96 Ų | 96 | 39.2 Ų | 39.2 | 47% | 0.473 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.4 | -179.7 | -64.8 | -176.6 | 69.7 | 0 | 0 | 110.8 | P346 Y798 A799 | P346-M348 HydrophobicContact CG-CG 4.39Å; P346-M348 PolarHBondContact O-N 3.03Å; M348-Y798 CarbonylContact O-C 3.53Å; M348-Y798 WeakPolarHBondContact O-CA 3.45Å; M348-A799 HydrophobicContact CB-CB 4.38Å; M348-A799 PolarHBondContact N-O 3.14Å; M348-A799 PolarHBondContact O-N 3.49Å |
| 349 | A | 86.8 | Confident | 87.4 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 17% | 0.165 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 109.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | A329 L332 S333 Y798 | A329-A349 HydrophobicContact CB-CB 3.68Å; L332-A349 HydrophobicContact CD2-CB 4.39Å; S333-A349 PolarHBondContact OG-N 3.47Å; A349-Y798 HydrophobicContact CB-CD1 3.79Å; A349-Y798 HydrophobicContact CB-CE1 3.7Å |
| 350 | R | 78.5 | Confident | 87.4 | Confident | 94 Ų | 94 | 35.6 Ų | 35.6 | 36% | 0.355 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -85.6 | -38.7 | 177.7 | -70.4 | -173.9 | 162.3 | -127.4 | -3.1 | 112.2 | A793 C794 S796 D797 | R350-A793 WeakPolarHBondContact CD-O 3.29Å; R350-A793 PolarHBondContact NE-O 3.5Å; R350-C794 VanDerWaalsContact CZ-CA 3.48Å; R350-C794 VanDerWaalsContact NH1-CA 3.25Å; R350-C794 PolarHBondContact NH1-O 3.13Å; R350-C794 PolarHBondContact NH2-SG 3.24Å; R350-S796 WeakPolarHBondContact CD-O 3.47Å; R350-D797 WeakPolarHBondContact CA-O 3.25Å; R350-D797 WeakPolarHBondContact CB-O 3.37Å; R350-D797 PolarHBondContact N-O 3.22Å |
| 351 | T | 80.3 | Confident | 87.6 | Confident | 32 Ų | 32 | 35.2 Ų | 35.2 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | trans | -108.6 | 102.2 | 176.9 | -55.1 | 0 | 0 | 0 | 0 | 110 | N353 L354 D797 | T351-N353 VanDerWaalsContact C-N 3.28Å; T351-N353 PolarHBondContact O-N 3.03Å; T351-L354 HydrophobicContact CG2-CD1 3.86Å; T351-L354 HydrophobicContact CG2-CG 3.91Å; T351-D797 VanDerWaalsContact CB-OD1 3.29Å; T351-D797 WeakPolarHBondContact CB-OD1 3.38Å; T351-D797 PolarHBondContact N-O 3.16Å; T351-D797 PolarHBondContact OG1-OD1 3.08Å | ||
| 352 | S | 82.5 | Confident | 87.7 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -67.8 | -22.8 | -177.6 | 51.8 | 0 | 0 | 0 | 0 | 114.6 | K72 R325 L354 N355 | K72-S352 WeakPolarHBondContact CE-OG 3.21Å; K72-S352 PolarHBondContact NZ-OG 2.98Å; R325-S352 WeakPolarHBondContact CB-O 3.42Å; S352-L354 VanDerWaalsContact C-N 3.27Å; S352-L354 PolarHBondContact O-N 3.13Å; S352-N355 PolarHBondContact O-ND2 2.93Å |
| 353 | N | 84.3 | Confident | 88.1 | Confident | 23 Ų | 23 | 29.9 Ų | 29.9 | 12% | 0.123 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -77.6 | -3.7 | -171.4 | -63.8 | -24.5 | 0 | 0 | 0 | 115.3 | K72 T351 | K72-N353 PolarHBondContact NZ-OD1 2.85Å; T351-N353 VanDerWaalsContact C-N 3.28Å; T351-N353 PolarHBondContact O-N 3.03Å |
| 354 | L | 88.7 | Confident | 88.9 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -111.5 | 8.6 | -172.5 | -57.4 | 175.6 | 0 | 0 | 0 | 113.3 | K243 T351 S352 E356 E357 L358 D797 Y798 | K243-L354 HydrophobicContact CB-CD1 3.91Å; K243-L354 HydrophobicContact CB-CD2 3.97Å; K243-L354 HydrophobicContact CB-CG 4.48Å; K243-L354 HydrophobicContact CD-CD1 3.88Å; T351-L354 HydrophobicContact CG2-CD1 3.86Å; T351-L354 HydrophobicContact CG2-CG 3.91Å; S352-L354 VanDerWaalsContact C-N 3.27Å; S352-L354 PolarHBondContact O-N 3.13Å; L354-E356 PolarHBondContact O-N 2.67Å; L354-E356 VanDerWaalsContact O-N 3.17Å; L354-E357 HydrophobicContact CB-CB 4.49Å; L354-E357 HydrophobicContact CB-CG 4.48Å; L354-E357 HydrophobicContact CD2-CG 4.17Å; L354-E357 WeakPolarHBondContact O-CB 3.45Å; L354-E357 PolarHBondContact O-N 3.26Å; L354-L358 PolarHBondContact O-N 3.17Å; L354-D797 HydrophobicContact CD1-CB 3.99Å; L354-D797 VanDerWaalsContact CD1-CG 3.41Å; L354-D797 WeakPolarHBondContact CD1-OD2 3.12Å; L354-Y798 HydrophobicContact CB-CE2 4.45Å; L354-Y798 PolarHBondContact O-OH 2.75Å |
| 355 | N | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -34.1 | -174.5 | -71.2 | -12.2 | 0 | 0 | 0 | 113.3 | R325 Q328 A329 S352 Y798 N817 | R325-N355 PolarHBondContact O-ND2 3.43Å; Q328-N355 WeakPolarHBondContact CB-ND2 3.38Å; A329-N355 PolarHBondContact N-ND2 3.34Å; S352-N355 PolarHBondContact O-ND2 2.93Å; N355-Y798 WeakPolarHBondContact CA-OH 3.34Å; N355-Y798 PolarHBondContact N-OH 3.1Å; N355-Y798 VanDerWaalsContact N-OH 3.12Å; N355-Y798 PolarHBondContact OD1-OH 3.38Å; N355-N817 HydrophobicContact CB-CB 4.23Å; N355-N817 WeakPolarHBondContact O-CB 3.4Å |
| 356 | E | 91.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -24.6 | 176.2 | 67.4 | -87.2 | -156.7 | 0 | 0 | 114 | S245 V247 R325 L354 L358 G359 L821 | S245-E356 WeakPolarHBondContact CB-OE1 3.39Å; S245-E356 PolarHBondContact OG-OE1 2.85Å; V247-E356 HydrophobicContact CB-CG 3.97Å; V247-E356 HydrophobicContact CG2-CB 4.49Å; V247-E356 HydrophobicContact CG2-CG 3.83Å; R325-E356 IonicContact CZ-OE1 3.23Å; R325-E356 IonicContact NE-OE1 3.92Å; R325-E356 PolarHBondContact NE-OE1 3.24Å; R325-E356 IonicContact NE-OE2 3.14Å; R325-E356 PolarHBondContact NE-OE2 3.38Å; R325-E356 IonicContact NH2-OE1 2.8Å; R325-E356 PolarHBondContact NH2-OE1 3.03Å; L354-E356 PolarHBondContact O-N 2.67Å; L354-E356 VanDerWaalsContact O-N 3.17Å; E356-L358 PolarHBondContact O-N 2.97Å; E356-G359 PolarHBondContact O-N 2.87Å; E356-G359 VanDerWaalsContact O-N 3.08Å; E356-L821 HydrophobicContact CB-CB 4.41Å; E356-L821 HydrophobicContact CB-CD2 3.75Å; E356-L821 HydrophobicContact CG-CD2 3.59Å; E356-L821 WeakPolarHBondContact OE1-CD2 3.39Å; E356-L821 WeakPolarHBondContact OE2-CD2 3.46Å |
| 357 | E | 92.5 | Very high | 90 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -66.6 | -32.1 | 178.1 | -69.9 | -71.2 | 124.8 | 0 | 0 | 111.2 | S245 T246 L354 G359 Q360 V361 V761 V780 | S245-E357 WeakPolarHBondContact CA-OE1 3.3Å; S245-E357 WeakPolarHBondContact CB-OE1 3.35Å; T246-E357 WeakPolarHBondContact CA-OE1 3.13Å; T246-E357 WeakPolarHBondContact CB-OE1 3.46Å; T246-E357 PolarHBondContact N-OE1 3Å; T246-E357 PolarHBondContact OG1-OE1 3.1Å; L354-E357 HydrophobicContact CB-CB 4.49Å; L354-E357 HydrophobicContact CB-CG 4.48Å; L354-E357 HydrophobicContact CD2-CG 4.17Å; L354-E357 WeakPolarHBondContact O-CB 3.45Å; L354-E357 PolarHBondContact O-N 3.26Å; E357-G359 PolarHBondContact O-N 3.15Å; E357-Q360 PolarHBondContact O-N 2.73Å; E357-V361 PolarHBondContact O-N 2.7Å; E357-V761 HydrophobicContact CB-CG1 4.32Å; E357-V761 WeakPolarHBondContact OE2-CG1 3.42Å; E357-V761 VanDerWaalsContact OE2-CG2 3.28Å; E357-V761 WeakPolarHBondContact OE2-CG2 3.3Å; E357-V780 HydrophobicContact CB-CG2 3.58Å |
| 358 | L | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -56.4 | -19.8 | 172.7 | -69.8 | 175.2 | 0 | 0 | 0 | 112.9 | L354 E356 L763 V780 Y798 L809 L810 Y893 | L354-L358 PolarHBondContact O-N 3.17Å; E356-L358 PolarHBondContact O-N 2.97Å; L358-L763 HydrophobicContact CD2-CD1 4.39Å; L358-V780 HydrophobicContact CD2-CG1 3.84Å; L358-Y798 HydrophobicContact CD1-CD1 4.49Å; L358-Y798 HydrophobicContact CD1-CD2 4.45Å; L358-Y798 HydrophobicContact CD1-CE1 3.89Å; L358-Y798 HydrophobicContact CD1-CE2 3.83Å; L358-Y798 HydrophobicContact CD2-CD2 4.17Å; L358-Y798 HydrophobicContact CD2-CE2 3.91Å; L358-Y798 HydrophobicContact CG-CE2 3.9Å; L358-L809 HydrophobicContact CD1-CD1 3.77Å; L358-L809 HydrophobicContact CD1-CG 4.17Å; L358-L809 HydrophobicContact CD2-CD2 4.5Å; L358-L809 HydrophobicContact CD2-CG 4.34Å; L358-L810 HydrophobicContact CB-CD2 4.17Å; L358-L810 HydrophobicContact CD2-CD2 3.7Å; L358-L810 VanDerWaalsContact O-CD2 3.32Å; L358-L810 WeakPolarHBondContact O-CD2 3.42Å; L358-Y893 PolarHBondContact O-OH 2.89Å |
| 359 | G | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -88.2 | -6.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E356 E357 G814 T896 | E356-G359 PolarHBondContact O-N 2.87Å; E356-G359 VanDerWaalsContact O-N 3.08Å; E357-G359 PolarHBondContact O-N 3.15Å; G359-G814 VanDerWaalsContact CA-C 3.43Å; G359-G814 WeakPolarHBondContact CA-O 3.42Å; G359-T896 WeakPolarHBondContact O-CB 3.44Å; G359-T896 PolarHBondContact O-OG1 3.15Å |
| 360 | Q | 92.2 | Very high | 89.5 | Confident | 10 Ų | 10 | 13.8 Ų | 13.8 | 5% | 0.047 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -0.4 | -173.4 | -67.7 | 177.9 | -70.6 | 0 | 0 | 113.5 | T246 E357 R362 V761 Y818 Y893 S899 | T246-Q360 PolarHBondContact OG1-OE1 3.15Å; E357-Q360 PolarHBondContact O-N 2.73Å; Q360-R362 PolarHBondContact O-N 3.08Å; Q360-V761 HydrophobicContact CB-CB 4.24Å; Q360-V761 HydrophobicContact CB-CG2 3.66Å; Q360-Y818 HydrophobicContact CG-CD2 3.72Å; Q360-Y818 HydrophobicContact CG-CE2 3.68Å; Q360-Y818 HydrophobicContact CG-CG 4.47Å; Q360-Y893 PolarHBondContact N-OH 3.21Å; Q360-S899 PolarHBondContact NE2-OG 3.32Å |
| 361 | V | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 126.9 | -179.9 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | E357 I364 V761 L763 L810 Y893 Q897 | E357-V361 PolarHBondContact O-N 2.7Å; V361-I364 HydrophobicContact CG1-CG1 3.92Å; V361-V761 HydrophobicContact CG2-CG1 4.2Å; V361-L763 HydrophobicContact CB-CB 4.49Å; V361-L763 HydrophobicContact CG1-CB 3.55Å; V361-L763 HydrophobicContact CG1-CD1 4.35Å; V361-L763 HydrophobicContact CG2-CB 4.06Å; V361-L763 HydrophobicContact CG2-CD1 4.01Å; V361-L810 HydrophobicContact CB-CD2 4.35Å; V361-L810 HydrophobicContact CG2-CD2 3.9Å; V361-Y893 PolarHBondContact N-OH 2.97Å; V361-Y893 VanDerWaalsContact N-OH 3.08Å; V361-Y893 WeakPolarHBondContact O-CE1 3.5Å; V361-Q897 PolarHBondContact O-NE2 2.99Å |
| 362 | R | 92.3 | Very high | 90.5 | Very high | 98 Ų | 98 | 7.9 Ų | 7.9 | 37% | 0.37 | 4% | 0.036 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | -32.3 | 176.1 | -175.3 | 175.8 | 177.2 | 179.4 | -0.7 | 113.2 | Q360 I644 S645 A760 V761 | Q360-R362 PolarHBondContact O-N 3.08Å; R362-I644 WeakPolarHBondContact O-CA 3.47Å; R362-S645 PolarHBondContact O-N 3.06Å; R362-A760 HydrophobicContact CB-CB 4.29Å; R362-V761 PolarHBondContact N-O 2.95Å |
| 363 | Y | 94.2 | Very high | 90.9 | Very high | 12 Ų | 12 | 7.7 Ų | 7.7 | 5% | 0.047 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.4 | 178.3 | -61.6 | -82 | 0 | 0 | 0 | 110 | S645 L731 V753 I757 A760 V761 T762 L763 | Y363-S645 WeakPolarHBondContact CA-O 3.31Å; Y363-L731 HydrophobicContact CE1-CD2 3.96Å; Y363-V753 HydrophobicContact CD2-CG1 4.25Å; Y363-V753 HydrophobicContact CG-CG1 4.4Å; Y363-I757 HydrophobicContact CE2-CD1 3.65Å; Y363-A760 HydrophobicContact CD2-CB 4Å; Y363-A760 HydrophobicContact CE2-CB 3.8Å; Y363-V761 PolarHBondContact N-O 3.5Å; Y363-T762 WeakPolarHBondContact O-CA 3.35Å; Y363-L763 PolarHBondContact O-N 3.18Å |
| 364 | I | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.9 | 172.4 | -67.1 | 172.9 | 0 | 0 | 0 | 108.4 | V361 L639 I644 S645 I646 W647 L763 I765 L806 L810 | V361-I364 HydrophobicContact CG1-CG1 3.92Å; I364-L639 HydrophobicContact CD1-CD1 3.9Å; I364-L639 HydrophobicContact CD1-CD2 4.46Å; I364-I644 HydrophobicContact CB-CG2 4.32Å; I364-I644 HydrophobicContact CD1-CG2 3.5Å; I364-I644 HydrophobicContact CG1-CG2 3.56Å; I364-S645 PolarHBondContact N-O 3.49Å; I364-I646 HydrophobicContact CB-CG1 4.25Å; I364-I646 CarbonylContact O-C 3.57Å; I364-I646 WeakPolarHBondContact O-CA 3.32Å; I364-W647 PolarHBondContact O-N 3.31Å; I364-L763 CarbonylContact C-O 3.59Å; I364-L763 VanDerWaalsContact CA-O 3.32Å; I364-L763 WeakPolarHBondContact CA-O 3.34Å; I364-L763 HydrophobicContact CG1-CB 4.21Å; I364-L763 HydrophobicContact CG1-CD2 4.14Å; I364-L763 HydrophobicContact CG2-CD2 4.03Å; I364-I765 HydrophobicContact CG2-CG2 4.14Å; I364-L806 HydrophobicContact CD1-CD2 4.17Å; I364-L810 HydrophobicContact CD1-CD1 3.91Å |
| 365 | F | 96.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 114.4 | 168.7 | -57.2 | -83.4 | 0 | 0 | 0 | 108 | W647 L649 V750 V753 T762 L763 A764 I765 M774 | F365-W647 CarbonylContact C-O 3.52Å; F365-W647 WeakPolarHBondContact CA-O 3.42Å; F365-W647 HydrophobicContact CD1-CB 3.83Å; F365-W647 HydrophobicContact CD1-CD2 4.42Å; F365-W647 HydrophobicContact CD1-CE3 4.18Å; F365-W647 HydrophobicContact CD1-CG 4.35Å; F365-W647 HydrophobicContact CE1-CB 4.17Å; F365-W647 AromaticContact CE1-CD2 3.85Å; F365-W647 HydrophobicContact CE1-CD2 3.85Å; F365-W647 AromaticContact CE1-CE3 3.49Å; F365-W647 HydrophobicContact CE1-CE3 3.49Å; F365-W647 VanDerWaalsContact CE1-CE3 3.49Å; F365-W647 HydrophobicContact CE1-CG 4.19Å; F365-W647 HydrophobicContact CE1-CZ3 4.11Å; F365-W647 HydrophobicContact CZ-CE3 4.44Å; F365-L649 HydrophobicContact CB-CD1 4.2Å; F365-L649 HydrophobicContact CD1-CD1 3.93Å; F365-L649 HydrophobicContact CD1-CG 4.4Å; F365-L649 HydrophobicContact CG-CD1 4.44Å; F365-V750 HydrophobicContact CB-CG2 4.04Å; F365-V750 HydrophobicContact CD1-CG2 4.01Å; F365-V750 HydrophobicContact CD2-CB 4.43Å; F365-V750 HydrophobicContact CD2-CG1 4.2Å; F365-V750 HydrophobicContact CD2-CG2 3.66Å; F365-V750 HydrophobicContact CE1-CG2 4.38Å; F365-V750 HydrophobicContact CE2-CB 4.45Å; F365-V750 HydrophobicContact CE2-CG1 4.2Å; F365-V750 HydrophobicContact CE2-CG2 4.08Å; F365-V750 HydrophobicContact CG-CG2 3.62Å; F365-V750 HydrophobicContact CZ-CG2 4.42Å; F365-V753 HydrophobicContact CE1-CG2 4.25Å; F365-V753 HydrophobicContact CZ-CB 3.79Å; F365-V753 HydrophobicContact CZ-CG1 3.99Å; F365-V753 HydrophobicContact CZ-CG2 3.83Å; F365-T762 HydrophobicContact CE2-CG2 3.83Å; F365-L763 WeakPolarHBondContact CD2-O 3.48Å; F365-L763 PolarHBondContact N-O 3.37Å; F365-A764 HydrophobicContact CB-CB 4.39Å; F365-A764 CarbonylContact O-C 3.58Å; F365-A764 VanDerWaalsContact O-CA 3.28Å; F365-A764 WeakPolarHBondContact O-CA 3.33Å; F365-I765 PolarHBondContact O-N 3.31Å; F365-M774 HydrophobicContact CB-SD 4.04Å |
| 366 | S | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.4 | -178.4 | -169.6 | 0 | 0 | 0 | 0 | 110.2 | T371 W647 V648 L649 | S366-T371 WeakPolarHBondContact OG-CG2 3.39Å; S366-W647 PolarHBondContact N-O 3.23Å; S366-V648 CarbonylContact O-C 3.53Å; S366-V648 WeakPolarHBondContact O-CA 3.32Å; S366-L649 PolarHBondContact O-N 3.25Å |
| 367 | D | 91.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | trans | -72.8 | 163.9 | 157.6 | -168.7 | 53.1 | 0 | 0 | 0 | 110.8 | T369 T371 L372 K746 I765 D771 | D367-T369 PolarHBondContact OD2-N 3.3Å; D367-T371 WeakPolarHBondContact O-CB 3.47Å; D367-T371 WeakPolarHBondContact O-CG2 3.19Å; D367-L372 WeakPolarHBondContact O-CG 2.9Å; D367-K746 IonicContact OD1-NZ 3.07Å; D367-K746 PolarHBondContact OD1-NZ 2.83Å; D367-I765 PolarHBondContact N-O 3.17Å; D367-D771 WeakPolarHBondContact CB-OD2 3.03Å | ||
| 368 | K | 89.2 | Confident | 89.6 | Confident | 1 Ų | 1 | 20 Ų | 20 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -95.2 | -55.5 | 178.3 | -170.2 | -141.1 | 84.4 | 144.6 | 0 | 111.3 | L372 T373 D626 V648 T650 D652 T656 I660 | K368-L372 PolarHBondContact O-N 3.45Å; K368-T373 PolarHBondContact O-N 3.33Å; K368-T373 VanDerWaalsContact O-N 3.1Å; K368-T373 PolarHBondContact O-OG1 3.14Å; K368-D626 IonicContact NZ-OD2 3.01Å; K368-D626 PolarHBondContact NZ-OD2 2.56Å; K368-D626 VanDerWaalsContact NZ-OD2 3.07Å; K368-V648 HydrophobicContact CB-CG1 4.26Å; K368-T650 WeakPolarHBondContact CB-OG1 3.45Å; K368-D652 HydrophobicContact CD-CB 4.47Å; K368-D652 WeakPolarHBondContact CE-OD2 3.47Å; K368-D652 IonicContact NZ-OD2 2.71Å; K368-D652 PolarHBondContact NZ-OD2 3.06Å; K368-T656 HydrophobicContact CD-CG2 4.31Å; K368-T656 VanDerWaalsContact NZ-CG2 3.31Å; K368-I660 HydrophobicContact CD-CB 4.4Å; K368-I660 HydrophobicContact CD-CG1 3.92Å; K368-I660 HydrophobicContact CG-CB 4.27Å; K368-I660 HydrophobicContact CG-CG1 4.17Å; K368-I660 HydrophobicContact CG-CG2 3.89Å |
| 369 | T | 82.7 | Confident | 89.5 | Confident | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.018 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 131.5 | -169.9 | -64.5 | 0 | 0 | 0 | 0 | 109.1 | G147 T149 D367 T371 T373 N375 | G147-T369 WeakPolarHBondContact O-CG2 3.2Å; G147-T369 PolarHBondContact O-OG1 2.95Å; T149-T369 HydrophobicContact CG2-CG2 3.24Å; D367-T369 PolarHBondContact OD2-N 3.3Å; T369-T371 PolarHBondContact O-N 3Å; T369-T373 WeakPolarHBondContact CA-OG1 3.12Å; T369-N375 WeakPolarHBondContact CG2-OD1 3.26Å |
| 370 | G | 80.3 | Confident | 89.3 | Confident | 9 Ų | 9 | 21.1 Ų | 21.1 | 9% | 0.093 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | -13.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | T373 N375 Q629 D767 | G370-T373 CarbonylContact C-O 3.57Å; G370-T373 VanDerWaalsContact C-O 3.24Å; G370-T373 WeakPolarHBondContact CA-O 3.47Å; G370-T373 PolarHBondContact N-O 3.37Å; G370-T373 PolarHBondContact N-OG1 3.25Å; G370-N375 PolarHBondContact N-OD1 3.16Å; G370-Q629 PolarHBondContact O-NE2 2.99Å; G370-D767 VanDerWaalsContact CA-OD2 3.29Å; G370-D767 WeakPolarHBondContact CA-OD2 3.49Å |
| 371 | T | 89.2 | Confident | 89.2 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -57.7 | 177.9 | -66.9 | 0 | 0 | 0 | 0 | 112 | S366 D367 T369 Q629 I765 G766 D767 I784 F803 | S366-T371 WeakPolarHBondContact OG-CG2 3.39Å; D367-T371 WeakPolarHBondContact O-CB 3.47Å; D367-T371 WeakPolarHBondContact O-CG2 3.19Å; T369-T371 PolarHBondContact O-N 3Å; T371-Q629 VanDerWaalsContact O-CD 3.23Å; T371-Q629 PolarHBondContact O-NE2 2.82Å; T371-I765 HydrophobicContact CG2-CG1 4.19Å; T371-I765 HydrophobicContact CG2-CG2 4.24Å; T371-G766 WeakPolarHBondContact OG1-CA 3.49Å; T371-D767 PolarHBondContact OG1-N 3.39Å; T371-I784 HydrophobicContact CG2-CD1 3.63Å; T371-F803 HydrophobicContact CG2-CD2 4.06Å; T371-F803 HydrophobicContact CG2-CE2 4.49Å |
| 372 | L | 91.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -35.7 | 174.4 | -62.2 | 176.9 | 0 | 0 | 0 | 110.8 | D367 K368 L628 Q629 V632 I636 V648 I660 F803 | D367-L372 WeakPolarHBondContact O-CG 2.9Å; K368-L372 PolarHBondContact O-N 3.45Å; L372-L628 CarbonylContact O-C 3.41Å; L372-L628 WeakPolarHBondContact O-CA 3.41Å; L372-Q629 PolarHBondContact O-N 3.42Å; L372-V632 HydrophobicContact CD2-CG1 3.82Å; L372-I636 HydrophobicContact CD2-CD1 4.13Å; L372-V648 HydrophobicContact CD1-CG1 4.4Å; L372-V648 HydrophobicContact CD1-CG2 4.14Å; L372-I660 HydrophobicContact CD1-CG2 4.39Å; L372-F803 HydrophobicContact CD2-CD1 4.4Å; L372-F803 HydrophobicContact CD2-CD2 3.88Å; L372-F803 HydrophobicContact CD2-CE1 4.21Å; L372-F803 HydrophobicContact CD2-CE2 3.66Å; L372-F803 HydrophobicContact CD2-CG 4.25Å; L372-F803 HydrophobicContact CD2-CZ 3.84Å |
| 373 | T | 89.3 | Confident | 89.1 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 156.3 | 178.3 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | K368 T369 G370 N375 K627 L628 I660 | K368-T373 PolarHBondContact O-N 3.33Å; K368-T373 VanDerWaalsContact O-N 3.1Å; K368-T373 PolarHBondContact O-OG1 3.14Å; T369-T373 WeakPolarHBondContact CA-OG1 3.12Å; G370-T373 CarbonylContact C-O 3.57Å; G370-T373 VanDerWaalsContact C-O 3.24Å; G370-T373 WeakPolarHBondContact CA-O 3.47Å; G370-T373 PolarHBondContact N-O 3.37Å; G370-T373 PolarHBondContact N-OG1 3.25Å; T373-N375 VanDerWaalsContact C-N 3.33Å; T373-N375 PolarHBondContact OG1-OD1 3Å; T373-K627 CarbonylContact C-O 3.55Å; T373-K627 WeakPolarHBondContact CA-O 3.29Å; T373-L628 HydrophobicContact CG2-CD2 4.15Å; T373-I660 HydrophobicContact CG2-CD1 3.6Å; T373-I660 HydrophobicContact CG2-CG1 4.15Å |
| 374 | R | 84.3 | Confident | 89 | Confident | 108 Ų | 108 | 16.9 Ų | 16.9 | 41% | 0.408 | 8% | 0.082 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -0.7 | 169.5 | -59.8 | -176.8 | -162.2 | -158.6 | 0.9 | 112.9 | V376 K627 L628 Q629 T630 | R374-V376 HydrophobicContact CB-CG2 4.36Å; R374-V376 PolarHBondContact O-N 3.45Å; R374-K627 PolarHBondContact N-O 2.82Å; R374-L628 PolarHBondContact NE-O 2.8Å; R374-Q629 HydrophobicContact CG-CB 4.44Å; R374-Q629 HydrophobicContact CG-CG 4.05Å; R374-T630 PolarHBondContact NH2-OG1 3.09Å |
| 375 | N | 78.8 | Confident | 88.6 | Confident | 31 Ų | 31 | 17.6 Ų | 17.6 | 17% | 0.166 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.4 | 31 | -172.3 | -54.6 | -19.3 | 0 | 0 | 0 | 113.4 | T149 T369 G370 T373 E788 | T149-N375 HydrophobicContact CG2-CB 4.04Å; T369-N375 WeakPolarHBondContact CG2-OD1 3.26Å; G370-N375 PolarHBondContact N-OD1 3.16Å; T373-N375 VanDerWaalsContact C-N 3.33Å; T373-N375 PolarHBondContact OG1-OD1 3Å; N375-E788 PolarHBondContact ND2-OE1 3.44Å |
| 376 | V | 84.1 | Confident | 88 | Confident | 76 Ų | 76 | 18.4 Ų | 18.4 | 46% | 0.461 | 10% | 0.097 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 115.9 | 176.1 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | R374 K627 | R374-V376 HydrophobicContact CB-CG2 4.36Å; R374-V376 PolarHBondContact O-N 3.45Å; V376-K627 HydrophobicContact CB-CB 4.48Å; V376-K627 VanDerWaalsContact O-CB 3.29Å; V376-K627 WeakPolarHBondContact O-CB 3.25Å; V376-K627 PolarHBondContact O-N 3.31Å |
| 377 | M | 87.3 | Confident | 87.8 | Confident | 22 Ų | 22 | 22 Ų | 22 | 11% | 0.108 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 122.6 | 173.5 | -59.5 | -57.4 | 168.6 | 0 | 0 | 109.7 | P471 A475 R570 I624 E625 D626 | M377-P471 HydrophobicContact CB-CB 4.49Å; M377-P471 HydrophobicContact CE-CG 4.17Å; M377-P471 HydrophobicContact CG-CB 3.72Å; M377-P471 HydrophobicContact CG-CG 4.05Å; M377-A475 HydrophobicContact CB-CB 3.89Å; M377-A475 WeakPolarHBondContact O-CB 3.1Å; M377-R570 VanDerWaalsContact CE-CZ 3.48Å; M377-R570 VanDerWaalsContact CE-NH2 3.32Å; M377-I624 HydrophobicContact CB-CG2 3.86Å; M377-E625 WeakPolarHBondContact CA-O 3.49Å; M377-D626 HydrophobicContact CE-CB 4.07Å; M377-D626 HydrophobicContact SD-CB 3.64Å |
| 378 | E | 88 | Confident | 87.7 | Confident | 46 Ų | 46 | 23.4 Ų | 23.4 | 22% | 0.215 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.1 | -177.9 | -171.7 | 168.8 | -176.6 | 0 | 0 | 110.5 | K380 N397 I624 E625 K627 | E378-K380 PolarHBondContact O-N 3.41Å; E378-K380 VanDerWaalsContact O-N 3.13Å; E378-N397 PolarHBondContact OE1-ND2 3.04Å; E378-I624 CarbonylContact O-C 3.57Å; E378-I624 WeakPolarHBondContact O-CA 3.28Å; E378-E625 PolarHBondContact N-O 3.5Å; E378-E625 PolarHBondContact O-N 3.22Å; E378-K627 IonicContact OE2-NZ 3.37Å; E378-K627 PolarHBondContact OE2-NZ 3.4Å |
| 379 | F | 90.8 | Very high | 87.7 | Confident | 7 Ų | 7 | 23.5 Ų | 23.5 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 102.8 | 175.8 | -173.5 | -87.8 | 0 | 0 | 0 | 109.6 | C382 A398 L399 L422 L476 A479 T622 | F379-C382 HydrophobicContact CE1-CB 3.98Å; F379-C382 HydrophobicContact CZ-CB 3.63Å; F379-A398 HydrophobicContact CE1-CB 4.47Å; F379-L399 HydrophobicContact CD1-CD2 4.44Å; F379-L399 HydrophobicContact CD1-CG 4.33Å; F379-L422 HydrophobicContact CE2-CD1 4.4Å; F379-L476 HydrophobicContact CD2-CD2 3.93Å; F379-L476 HydrophobicContact CE2-CD2 3.94Å; F379-A479 HydrophobicContact CB-CB 3.66Å; F379-A479 HydrophobicContact CD1-CB 4.02Å; F379-A479 HydrophobicContact CD2-CB 3.89Å; F379-A479 HydrophobicContact CE2-CB 4.48Å; F379-A479 HydrophobicContact CG-CB 3.6Å; F379-T622 HydrophobicContact CE2-CG2 3.62Å; F379-T622 HydrophobicContact CZ-CG2 4.17Å |
| 380 | K | 87.8 | Confident | 87.5 | Confident | 17 Ų | 17 | 23.4 Ų | 23.4 | 7% | 0.074 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -54.7 | -169.8 | -166.1 | 76.4 | 168.8 | -148.2 | 0 | 112.3 | E378 E394 N397 A398 L569 A623 E625 | E378-K380 PolarHBondContact O-N 3.41Å; E378-K380 VanDerWaalsContact O-N 3.13Å; K380-E394 VanDerWaalsContact CE-O 3.25Å; K380-E394 WeakPolarHBondContact CE-O 3.31Å; K380-E394 PolarHBondContact NZ-O 3.19Å; K380-N397 WeakPolarHBondContact CD-OD1 3.39Å; K380-A398 VanDerWaalsContact O-CB 3.27Å; K380-A398 WeakPolarHBondContact O-CB 3.23Å; K380-A398 PolarHBondContact O-N 3.02Å; K380-L569 HydrophobicContact CB-CD1 4.45Å; K380-L569 HydrophobicContact CB-CD2 4.08Å; K380-L569 HydrophobicContact CG-CD1 4.42Å; K380-L569 HydrophobicContact CG-CD2 4.17Å; K380-A623 PolarHBondContact N-O 3.22Å; K380-E625 HydrophobicContact CB-CB 4.13Å; K380-E625 VanDerWaalsContact CD-OE2 3.24Å; K380-E625 WeakPolarHBondContact CD-OE2 3.44Å; K380-E625 VanDerWaalsContact CE-OE2 3.32Å; K380-E625 WeakPolarHBondContact CE-OE2 3.42Å; K380-E625 IonicContact NZ-OE2 2.88Å; K380-E625 PolarHBondContact NZ-OE2 3.21Å |
| 381 | R | 90.5 | Very high | 87.1 | Confident | 28 Ų | 28 | 27.2 Ų | 27.2 | 11% | 0.106 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 158.9 | -174.6 | -61.5 | -176.4 | 178.2 | 155.2 | 0.8 | 111.7 | G390 F564 L569 A623 | R381-G390 PolarHBondContact NE-O 3.02Å; R381-F564 HydrophobicContact CB-CD1 4.2Å; R381-F564 HydrophobicContact CB-CE1 3.61Å; R381-F564 HydrophobicContact CB-CZ 3.93Å; R381-F564 HydrophobicContact CG-CE1 4.29Å; R381-L569 HydrophobicContact CB-CD1 4.47Å; R381-L569 HydrophobicContact CG-CD1 4.27Å; R381-A623 HydrophobicContact CB-CB 3.96Å; R381-A623 PolarHBondContact N-O 3.1Å; R381-A623 WeakPolarHBondContact O-CA 3.4Å; R381-A623 WeakPolarHBondContact O-CB 3.32Å; R381-A623 PolarHBondContact O-N 2.94Å |
| 382 | C | 92 | Very high | 85.9 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 153.9 | 169.3 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | F379 I384 Y389 F418 A621 | F379-C382 HydrophobicContact CE1-CB 3.98Å; F379-C382 HydrophobicContact CZ-CB 3.63Å; C382-I384 HydrophobicContact CB-CG1 4.38Å; C382-Y389 PolarHBondContact N-O 3.1Å; C382-Y389 PolarHBondContact O-N 3.34Å; C382-F418 HydrophobicContact CB-CE1 4.38Å; C382-F418 HydrophobicContact CB-CZ 4.22Å; C382-A621 CarbonylContact C-O 3.58Å; C382-A621 WeakPolarHBondContact CA-O 3.44Å |
| 383 | S | 92.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117.8 | 168.6 | 178.4 | 0 | 0 | 0 | 0 | 107.2 | I387 H560 G620 A621 | S383-I387 CarbonylContact C-O 3.57Å; S383-I387 VanDerWaalsContact CA-O 3.31Å; S383-I387 WeakPolarHBondContact CA-O 3.46Å; S383-H560 PolarHBondContact OG-ND1 3.48Å; S383-G620 CarbonylContact O-C 3.54Å; S383-G620 WeakPolarHBondContact O-CA 3.49Å; S383-A621 PolarHBondContact N-O 2.9Å; S383-A621 PolarHBondContact O-N 3.13Å |
| 384 | I | 92.4 | Very high | 83.1 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124 | 178.5 | -48.5 | 173 | 0 | 0 | 0 | 108.4 | C382 G386 I387 Y389 L404 V415 F418 F419 | C382-I384 HydrophobicContact CB-CG1 4.38Å; I384-G386 VanDerWaalsContact C-N 3.25Å; I384-G386 PolarHBondContact O-N 2.94Å; I384-I387 PolarHBondContact N-O 3.07Å; I384-I387 PolarHBondContact O-N 3.09Å; I384-I387 VanDerWaalsContact O-N 3.14Å; I384-Y389 HydrophobicContact CB-CE2 3.85Å; I384-Y389 HydrophobicContact CD1-CD2 4.45Å; I384-Y389 HydrophobicContact CD1-CE2 4.32Å; I384-Y389 HydrophobicContact CG1-CD2 4.35Å; I384-Y389 HydrophobicContact CG1-CE2 4.15Å; I384-L404 HydrophobicContact CD1-CD1 3.97Å; I384-V415 HydrophobicContact CG2-CG2 4.16Å; I384-F418 HydrophobicContact CD1-CB 4.41Å; I384-F418 HydrophobicContact CD1-CD1 3.51Å; I384-F418 HydrophobicContact CD1-CE1 3.76Å; I384-F418 HydrophobicContact CD1-CG 3.93Å; I384-F418 HydrophobicContact CD1-CZ 4.35Å; I384-F418 HydrophobicContact CG1-CD1 3.88Å; I384-F418 HydrophobicContact CG1-CD2 4.06Å; I384-F418 HydrophobicContact CG1-CE1 3.91Å; I384-F418 HydrophobicContact CG1-CE2 4.07Å; I384-F418 HydrophobicContact CG1-CG 3.94Å; I384-F418 HydrophobicContact CG1-CZ 3.98Å; I384-F418 HydrophobicContact CG2-CB 4.06Å; I384-F418 HydrophobicContact CG2-CD2 4.35Å; I384-F418 HydrophobicContact CG2-CG 4.2Å; I384-F419 HydrophobicContact CD1-CE2 4.32Å |
| 385 | G | 86.9 | Confident | 82 | Confident | 14 Ų | 14 | 44 Ų | 44 | 14% | 0.144 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 35 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I387 F553 L619 | G385-I387 VanDerWaalsContact C-N 3.3Å; G385-I387 PolarHBondContact O-N 3.48Å; G385-F553 WeakPolarHBondContact O-CD1 2.96Å; G385-L619 PolarHBondContact N-O 3.22Å; G385-L619 VanDerWaalsContact N-O 3.07Å |
| 386 | G | 85.3 | Confident | 81.1 | Confident | 17 Ų | 17 | 43.8 Ų | 43.8 | 18% | 0.175 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 11.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | I384 S556 H560 | I384-G386 VanDerWaalsContact C-N 3.25Å; I384-G386 PolarHBondContact O-N 2.94Å; G386-S556 WeakPolarHBondContact CA-OG 3.36Å; G386-H560 PolarHBondContact O-CE1 3.07Å; G386-H560 VanDerWaalsContact O-CE1 3.24Å |
| 387 | I | 89.4 | Confident | 80.5 | Confident | 77 Ų | 77 | 41.2 Ų | 41.2 | 40% | 0.395 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.4 | 176.5 | -65.4 | 163.8 | 0 | 0 | 0 | 109.5 | S383 I384 G385 Y389 | S383-I387 CarbonylContact C-O 3.57Å; S383-I387 VanDerWaalsContact CA-O 3.31Å; S383-I387 WeakPolarHBondContact CA-O 3.46Å; I384-I387 PolarHBondContact N-O 3.07Å; I384-I387 PolarHBondContact O-N 3.09Å; I384-I387 VanDerWaalsContact O-N 3.14Å; G385-I387 VanDerWaalsContact C-N 3.3Å; G385-I387 PolarHBondContact O-N 3.48Å; I387-Y389 HydrophobicContact CB-CE2 4.21Å; I387-Y389 HydrophobicContact CG2-CE1 3.98Å; I387-Y389 HydrophobicContact CG2-CE2 4.07Å; I387-Y389 WeakPolarHBondContact O-CD2 3.35Å; I387-Y389 VanDerWaalsContact O-CE2 3.28Å; I387-Y389 WeakPolarHBondContact O-CE2 3.47Å |
| 388 | M | 88.7 | Confident | 79.7 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 14% | 0.143 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.1 | 177.7 | -171.3 | -177.5 | -55.2 | 0 | 0 | 110.8 | N391 H560 N563 F564 | M388-N391 PolarHBondContact SD-ND2 3.04Å; M388-N391 PolarHBondContact SD-OD1 3.33Å; M388-H560 HydrophobicContact CE-CB 3.62Å; M388-H560 WeakPolarHBondContact CE-CD2 3.18Å; M388-N563 HydrophobicContact CE-CB 4.24Å; M388-F564 HydrophobicContact CE-CE1 4.11Å; M388-F564 HydrophobicContact CE-CZ 4.44Å; M388-F564 HydrophobicContact CG-CE1 3.85Å; M388-F564 HydrophobicContact CG-CZ 3.9Å; M388-F564 HydrophobicContact SD-CE1 3.73Å; M388-F564 HydrophobicContact SD-CZ 4.31Å |
| 389 | Y | 88.7 | Confident | 78.9 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 146.8 | 174.7 | -54.1 | -85.4 | 0 | 0 | 0 | 110.4 | C382 I384 I387 N403 L404 K407 | C382-Y389 PolarHBondContact N-O 3.1Å; C382-Y389 PolarHBondContact O-N 3.34Å; I384-Y389 HydrophobicContact CB-CE2 3.85Å; I384-Y389 HydrophobicContact CD1-CD2 4.45Å; I384-Y389 HydrophobicContact CD1-CE2 4.32Å; I384-Y389 HydrophobicContact CG1-CD2 4.35Å; I384-Y389 HydrophobicContact CG1-CE2 4.15Å; I387-Y389 HydrophobicContact CB-CE2 4.21Å; I387-Y389 HydrophobicContact CG2-CE1 3.98Å; I387-Y389 HydrophobicContact CG2-CE2 4.07Å; I387-Y389 WeakPolarHBondContact O-CD2 3.35Å; I387-Y389 VanDerWaalsContact O-CE2 3.28Å; I387-Y389 WeakPolarHBondContact O-CE2 3.47Å; Y389-N403 HydrophobicContact CE1-CB 4.44Å; Y389-L404 HydrophobicContact CD1-CB 3.71Å; Y389-L404 HydrophobicContact CD1-CD1 4.14Å; Y389-L404 HydrophobicContact CD1-CG 4.43Å; Y389-L404 HydrophobicContact CD2-CD1 4.15Å; Y389-L404 HydrophobicContact CE1-CB 4.11Å; Y389-L404 HydrophobicContact CE1-CD1 4.1Å; Y389-L404 HydrophobicContact CE2-CD1 4.15Å; Y389-L404 HydrophobicContact CG-CB 4.2Å; Y389-L404 HydrophobicContact CG-CD1 4.16Å; Y389-K407 HydrophobicContact CE1-CD 4.42Å; Y389-K407 VanDerWaalsContact OH-CD 3.26Å; Y389-K407 WeakPolarHBondContact OH-CD 3.27Å; Y389-K407 PolarHBondContact OH-NZ 3.28Å |
| 390 | G | 80.2 | Confident | 78.3 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | trans | 90.2 | 32.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | R381 D401 | R381-G390 PolarHBondContact NE-O 3.02Å; G390-D401 PolarHBondContact N-OD2 2.94Å; G390-D401 VanDerWaalsContact N-OD2 3.11Å | ||
| 391 | N | 70.6 | Confident | 77.8 | Confident | 89 Ų | 89 | 46.3 Ų | 46.3 | 48% | 0.476 | 26% | 0.261 | S | S | . | . | trans | -94.7 | 17.7 | -175.1 | -104 | -0.4 | 0 | 0 | 0 | 115.6 | M388 | M388-N391 PolarHBondContact SD-ND2 3.04Å; M388-N391 PolarHBondContact SD-OD1 3.33Å | ||
| 392 | G | 64.8 | Low | 77.2 | Confident | 57 Ų | 57 | 50.9 Ų | 50.9 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -74 | -132.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | S396 | G392-S396 VanDerWaalsContact C-OG 3.28Å; G392-S396 WeakPolarHBondContact CA-OG 3.35Å |
| 393 | T | 62.6 | Low | 76.7 | Confident | 98 Ų | 98 | 55.8 Ų | 55.8 | 60% | 0.601 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -62.2 | 164.2 | 168.5 | 54.3 | 0 | 0 | 0 | 0 | 112 | D395 S396 | T393-D395 PolarHBondContact O-N 2.82Å; T393-S396 PolarHBondContact N-OG 3.39Å; T393-S396 WeakPolarHBondContact O-CB 3.1Å; T393-S396 PolarHBondContact O-N 2.63Å; T393-S396 PolarHBondContact O-OG 3.27Å; T393-S396 PolarHBondContact OG1-OG 2.88Å |
| 394 | E | 59.6 | Low | 76.3 | Confident | 177 Ų | 177 | 55.8 Ų | 55.8 | 83% | 0.827 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -25.6 | 176.9 | -66.5 | -176.9 | 164.1 | 0 | 0 | 113 | K380 | K380-E394 VanDerWaalsContact CE-O 3.25Å; K380-E394 WeakPolarHBondContact CE-O 3.31Å; K380-E394 PolarHBondContact NZ-O 3.19Å |
| 395 | D | 60.9 | Low | 75.7 | Confident | 133 Ų | 133 | 58 Ų | 58 | 71% | 0.711 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -0.7 | 176.3 | -65.7 | -34.1 | 0 | 0 | 0 | 114.3 | T393 N397 | T393-D395 PolarHBondContact O-N 2.82Å; D395-N397 PolarHBondContact O-N 3.49Å |
| 396 | S | 60.6 | Low | 75.5 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | trans | -69.7 | 125.8 | -178.8 | -64.1 | 0 | 0 | 0 | 0 | 112.1 | G392 T393 | G392-S396 VanDerWaalsContact C-OG 3.28Å; G392-S396 WeakPolarHBondContact CA-OG 3.35Å; T393-S396 PolarHBondContact N-OG 3.39Å; T393-S396 WeakPolarHBondContact O-CB 3.1Å; T393-S396 PolarHBondContact O-N 2.63Å; T393-S396 PolarHBondContact O-OG 3.27Å; T393-S396 PolarHBondContact OG1-OG 2.88Å | ||
| 397 | N | 70.9 | Confident | 75.4 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 12% | 0.123 | 34% | 0.34 | C | S | . | . | trans | -94.9 | 137.7 | 174 | -75.8 | -20.5 | 0 | 0 | 0 | 110.6 | E378 K380 D395 L399 E400 | E378-N397 PolarHBondContact OE1-ND2 3.04Å; K380-N397 WeakPolarHBondContact CD-OD1 3.39Å; D395-N397 PolarHBondContact O-N 3.49Å; N397-L399 PolarHBondContact O-N 3.17Å; N397-E400 HydrophobicContact CB-CG 4.34Å; N397-E400 PolarHBondContact O-N 2.96Å | ||
| 398 | A | 69.8 | Low | 75.1 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -60.9 | -24.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F379 K380 E400 D401 L404 | F379-A398 HydrophobicContact CE1-CB 4.47Å; K380-A398 VanDerWaalsContact O-CB 3.27Å; K380-A398 WeakPolarHBondContact O-CB 3.23Å; K380-A398 PolarHBondContact O-N 3.02Å; A398-E400 PolarHBondContact O-N 3.01Å; A398-D401 WeakPolarHBondContact O-CB 2.93Å; A398-D401 PolarHBondContact O-N 3.39Å; A398-L404 WeakPolarHBondContact O-CD2 3.24Å |
| 399 | L | 72.9 | Confident | 74.6 | Confident | 36 Ų | 36 | 64.9 Ų | 64.9 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -67.5 | -23 | 175.5 | -63.3 | 171 | 0 | 0 | 0 | 112.8 | F379 N397 A479 T482 M483 | F379-L399 HydrophobicContact CD1-CD2 4.44Å; F379-L399 HydrophobicContact CD1-CG 4.33Å; N397-L399 PolarHBondContact O-N 3.17Å; L399-A479 HydrophobicContact CD1-CB 4.43Å; L399-A479 HydrophobicContact CD2-CB 4.27Å; L399-T482 HydrophobicContact CD1-CG2 4.34Å; L399-M483 HydrophobicContact CD2-CG 3.61Å; L399-M483 HydrophobicContact CD2-SD 3.68Å |
| 400 | E | 76.7 | Confident | 74.3 | Confident | 131 Ų | 131 | 68.8 Ų | 68.8 | 61% | 0.612 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -94.4 | -4.3 | 178.2 | -62.7 | 174.6 | -170.2 | 0 | 0 | 112.3 | N397 A398 Q402 | N397-E400 HydrophobicContact CB-CG 4.34Å; N397-E400 PolarHBondContact O-N 2.96Å; A398-E400 PolarHBondContact O-N 3.01Å; E400-Q402 PolarHBondContact O-N 3.27Å; E400-Q402 VanDerWaalsContact O-N 3.15Å |
| 401 | D | 78.3 | Confident | 74.2 | Confident | 32 Ų | 32 | 70.7 Ų | 70.7 | 17% | 0.171 | 40% | 0.401 | C | S | . | . | trans | -70.1 | 111.5 | -178.3 | -165.1 | -24 | 0 | 0 | 0 | 110.4 | G390 A398 N403 L404 I405 | G390-D401 PolarHBondContact N-OD2 2.94Å; G390-D401 VanDerWaalsContact N-OD2 3.11Å; A398-D401 WeakPolarHBondContact O-CB 2.93Å; A398-D401 PolarHBondContact O-N 3.39Å; D401-N403 PolarHBondContact O-N 2.93Å; D401-N403 VanDerWaalsContact O-N 3.12Å; D401-N403 WeakPolarHBondContact OD1-CB 3.26Å; D401-N403 PolarHBondContact OD1-N 3.24Å; D401-N403 VanDerWaalsContact OD1-N 3.08Å; D401-N403 PolarHBondContact OD1-ND2 3.45Å; D401-L404 HydrophobicContact CB-CB 4.37Å; D401-L404 WeakPolarHBondContact O-CB 3.44Å; D401-L404 PolarHBondContact O-N 3.41Å; D401-I405 PolarHBondContact O-N 2.61Å | ||
| 402 | Q | 78.6 | Confident | 74.9 | Confident | 123 Ų | 123 | 68.9 Ų | 68.9 | 58% | 0.575 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -56.2 | -30.5 | 180 | -67.4 | -65.9 | -26.3 | 0 | 0 | 112.3 | E400 L404 I405 N406 | E400-Q402 PolarHBondContact O-N 3.27Å; E400-Q402 VanDerWaalsContact O-N 3.15Å; Q402-L404 PolarHBondContact O-N 2.9Å; Q402-I405 PolarHBondContact O-N 3.46Å; Q402-N406 VanDerWaalsContact O-CB 3.27Å; Q402-N406 WeakPolarHBondContact O-CB 3.06Å; Q402-N406 PolarHBondContact O-N 2.88Å; Q402-N406 PolarHBondContact O-ND2 3.35Å; Q402-N406 VanDerWaalsContact O-ND2 3.11Å |
| 403 | N | 81.1 | Confident | 75.9 | Confident | 103 Ų | 103 | 71.6 Ų | 71.6 | 55% | 0.551 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -67 | -38.2 | 178.8 | -66 | -45 | 0 | 0 | 0 | 112.3 | Y389 D401 K407 | Y389-N403 HydrophobicContact CE1-CB 4.44Å; D401-N403 PolarHBondContact O-N 2.93Å; D401-N403 VanDerWaalsContact O-N 3.12Å; D401-N403 WeakPolarHBondContact OD1-CB 3.26Å; D401-N403 PolarHBondContact OD1-N 3.24Å; D401-N403 VanDerWaalsContact OD1-N 3.08Å; D401-N403 PolarHBondContact OD1-ND2 3.45Å; N403-K407 WeakPolarHBondContact O-CG 3.47Å; N403-K407 PolarHBondContact O-N 3.43Å |
| 404 | L | 82.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69 | -45.1 | 178.3 | -176.4 | 62.1 | 0 | 0 | 0 | 110.5 | I384 Y389 A398 D401 Q402 N406 K407 L408 V415 F419 M483 | I384-L404 HydrophobicContact CD1-CD1 3.97Å; Y389-L404 HydrophobicContact CD1-CB 3.71Å; Y389-L404 HydrophobicContact CD1-CD1 4.14Å; Y389-L404 HydrophobicContact CD1-CG 4.43Å; Y389-L404 HydrophobicContact CD2-CD1 4.15Å; Y389-L404 HydrophobicContact CE1-CB 4.11Å; Y389-L404 HydrophobicContact CE1-CD1 4.1Å; Y389-L404 HydrophobicContact CE2-CD1 4.15Å; Y389-L404 HydrophobicContact CG-CB 4.2Å; Y389-L404 HydrophobicContact CG-CD1 4.16Å; A398-L404 WeakPolarHBondContact O-CD2 3.24Å; D401-L404 HydrophobicContact CB-CB 4.37Å; D401-L404 WeakPolarHBondContact O-CB 3.44Å; D401-L404 PolarHBondContact O-N 3.41Å; Q402-L404 PolarHBondContact O-N 2.9Å; L404-N406 VanDerWaalsContact C-N 3.32Å; L404-N406 PolarHBondContact O-N 3.33Å; L404-K407 PolarHBondContact O-N 2.87Å; L404-L408 WeakPolarHBondContact O-CB 3.26Å; L404-L408 PolarHBondContact O-N 3.03Å; L404-V415 HydrophobicContact CD1-CG1 4.06Å; L404-F419 HydrophobicContact CD1-CE2 4.32Å; L404-F419 HydrophobicContact CD2-CE2 4.48Å; L404-F419 HydrophobicContact CD2-CZ 4.15Å; L404-M483 HydrophobicContact CD2-CE 3.69Å; L404-M483 HydrophobicContact CG-CE 3.72Å |
| 405 | I | 81.4 | Confident | 78.5 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 176.8 | -61.6 | 169.2 | 0 | 0 | 0 | 110.2 | D401 Q402 K407 L408 N409 | D401-I405 PolarHBondContact O-N 2.61Å; Q402-I405 PolarHBondContact O-N 3.46Å; I405-K407 PolarHBondContact O-N 3.47Å; I405-L408 PolarHBondContact O-N 3.25Å; I405-N409 WeakPolarHBondContact O-CB 3.35Å; I405-N409 VanDerWaalsContact O-CG 3.23Å; I405-N409 PolarHBondContact O-N 3.22Å; I405-N409 PolarHBondContact O-ND2 3.21Å |
| 406 | N | 82.4 | Confident | 79.9 | Confident | 91 Ų | 91 | 56.3 Ų | 56.3 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 177.5 | -72.7 | -22.2 | 0 | 0 | 0 | 112.5 | Q402 L404 N409 A410 | Q402-N406 VanDerWaalsContact O-CB 3.27Å; Q402-N406 WeakPolarHBondContact O-CB 3.06Å; Q402-N406 PolarHBondContact O-N 2.88Å; Q402-N406 PolarHBondContact O-ND2 3.35Å; Q402-N406 VanDerWaalsContact O-ND2 3.11Å; L404-N406 VanDerWaalsContact C-N 3.32Å; L404-N406 PolarHBondContact O-N 3.33Å; N406-N409 PolarHBondContact O-N 3.45Å; N406-A410 WeakPolarHBondContact O-CB 3.41Å; N406-A410 PolarHBondContact O-N 3.18Å |
| 407 | K | 83.1 | Confident | 81.3 | Confident | 57 Ų | 57 | 57.5 Ų | 57.5 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.4 | -37.4 | 175.4 | -78.6 | -172.9 | 172.8 | -164.6 | 0 | 113.1 | Y389 N403 L404 I405 A410 G411 D412 V415 | Y389-K407 HydrophobicContact CE1-CD 4.42Å; Y389-K407 VanDerWaalsContact OH-CD 3.26Å; Y389-K407 WeakPolarHBondContact OH-CD 3.27Å; Y389-K407 PolarHBondContact OH-NZ 3.28Å; N403-K407 WeakPolarHBondContact O-CG 3.47Å; N403-K407 PolarHBondContact O-N 3.43Å; L404-K407 PolarHBondContact O-N 2.87Å; I405-K407 PolarHBondContact O-N 3.47Å; K407-A410 PolarHBondContact O-N 3.3Å; K407-G411 PolarHBondContact O-N 3.41Å; K407-D412 HydrophobicContact CB-CB 4.34Å; K407-D412 PolarHBondContact O-N 3.02Å; K407-D412 VanDerWaalsContact O-N 3.15Å; K407-V415 HydrophobicContact CB-CG2 4.4Å |
| 408 | L | 81.9 | Confident | 82.3 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 174 | -170.7 | 74.7 | 0 | 0 | 0 | 110.1 | L404 I405 A410 G411 V415 M483 Y485 R500 | L404-L408 WeakPolarHBondContact O-CB 3.26Å; L404-L408 PolarHBondContact O-N 3.03Å; I405-L408 PolarHBondContact O-N 3.25Å; L408-A410 VanDerWaalsContact C-N 3.27Å; L408-A410 PolarHBondContact O-N 3.01Å; L408-G411 PolarHBondContact O-N 2.95Å; L408-V415 HydrophobicContact CD1-CG1 3.9Å; L408-M483 HydrophobicContact CD2-CB 4.44Å; L408-M483 HydrophobicContact CD2-CE 4.17Å; L408-M483 WeakPolarHBondContact CD2-O 3.33Å; L408-Y485 HydrophobicContact CD1-CE2 3.85Å; L408-Y485 WeakPolarHBondContact CD1-OH 3.24Å; L408-R500 PolarHBondContact O-NH2 3.14Å |
| 409 | N | 79.7 | Confident | 83.4 | Confident | 117 Ų | 117 | 56.4 Ų | 56.4 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.4 | -34.1 | 176.4 | -70.6 | -22.4 | 0 | 0 | 0 | 112.3 | I405 N406 G411 | I405-N409 WeakPolarHBondContact O-CB 3.35Å; I405-N409 VanDerWaalsContact O-CG 3.23Å; I405-N409 PolarHBondContact O-N 3.22Å; I405-N409 PolarHBondContact O-ND2 3.21Å; N406-N409 PolarHBondContact O-N 3.45Å; N409-G411 PolarHBondContact O-N 3.21Å |
| 410 | A | 82 | Confident | 84.3 | Confident | 86 Ų | 86 | 55.1 Ų | 55.1 | 71% | 0.711 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -11.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N406 K407 L408 | N406-A410 WeakPolarHBondContact O-CB 3.41Å; N406-A410 PolarHBondContact O-N 3.18Å; K407-A410 PolarHBondContact O-N 3.3Å; L408-A410 VanDerWaalsContact C-N 3.27Å; L408-A410 PolarHBondContact O-N 3.01Å |
| 411 | G | 77.8 | Confident | 85 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 32.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | K407 L408 N409 L413 | K407-G411 PolarHBondContact O-N 3.41Å; L408-G411 PolarHBondContact O-N 2.95Å; N409-G411 PolarHBondContact O-N 3.21Å; G411-L413 PolarHBondContact O-N 3.27Å |
| 412 | D | 84.6 | Confident | 85.7 | Confident | 52 Ų | 52 | 48 Ų | 48 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | trans | -58.7 | 120.4 | 176.5 | -169.6 | -9.2 | 0 | 0 | 0 | 111.1 | K407 L414 V415 D416 | K407-D412 HydrophobicContact CB-CB 4.34Å; K407-D412 PolarHBondContact O-N 3.02Å; K407-D412 VanDerWaalsContact O-N 3.15Å; D412-L414 VanDerWaalsContact C-N 3.29Å; D412-L414 PolarHBondContact O-N 2.96Å; D412-L414 PolarHBondContact OD1-N 3.15Å; D412-V415 HydrophobicContact CB-CB 4.31Å; D412-V415 HydrophobicContact CB-CG2 4.04Å; D412-V415 PolarHBondContact O-N 2.71Å; D412-D416 PolarHBondContact O-N 2.94Å | ||
| 413 | L | 86.7 | Confident | 86.4 | Confident | 113 Ų | 113 | 42.1 Ų | 42.1 | 59% | 0.592 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62 | -36.4 | -173.9 | -172.2 | 71.7 | 0 | 0 | 0 | 112 | G411 D416 Q417 | G411-L413 PolarHBondContact O-N 3.27Å; L413-D416 PolarHBondContact O-N 2.89Å; L413-Q417 WeakPolarHBondContact O-CB 3.37Å; L413-Q417 VanDerWaalsContact O-CG 3.3Å; L413-Q417 WeakPolarHBondContact O-CG 3.49Å; L413-Q417 PolarHBondContact O-N 3.05Å |
| 414 | L | 88.5 | Confident | 86.9 | Confident | 54 Ų | 54 | 37.3 Ų | 37.3 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.5 | -39.7 | -179.4 | -68.6 | 174.5 | 0 | 0 | 0 | 111.5 | D412 F418 F553 L619 | D412-L414 VanDerWaalsContact C-N 3.29Å; D412-L414 PolarHBondContact O-N 2.96Å; D412-L414 PolarHBondContact OD1-N 3.15Å; L414-F418 VanDerWaalsContact O-CB 3.3Å; L414-F418 WeakPolarHBondContact O-CB 3.47Å; L414-F418 PolarHBondContact O-N 3.4Å; L414-F553 HydrophobicContact CD1-CE2 4.24Å; L414-L619 HydrophobicContact CD2-CD2 3.85Å |
| 415 | V | 88.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70 | -41.4 | 178.1 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | I384 L404 K407 L408 D412 F418 F419 | I384-V415 HydrophobicContact CG2-CG2 4.16Å; L404-V415 HydrophobicContact CD1-CG1 4.06Å; K407-V415 HydrophobicContact CB-CG2 4.4Å; L408-V415 HydrophobicContact CD1-CG1 3.9Å; D412-V415 HydrophobicContact CB-CB 4.31Å; D412-V415 HydrophobicContact CB-CG2 4.04Å; D412-V415 PolarHBondContact O-N 2.71Å; V415-F418 PolarHBondContact O-N 3.28Å; V415-F419 HydrophobicContact CG1-CD2 3.73Å; V415-F419 HydrophobicContact CG1-CE2 3.67Å; V415-F419 WeakPolarHBondContact O-CD2 3.37Å; V415-F419 PolarHBondContact O-N 2.73Å; V415-F419 VanDerWaalsContact O-N 3.09Å |
| 416 | D | 89.4 | Confident | 87.8 | Confident | 32 Ų | 32 | 35.2 Ų | 35.2 | 17% | 0.171 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 176.1 | -169.4 | 65.2 | 0 | 0 | 0 | 112 | D412 L413 T420 Y485 | D412-D416 PolarHBondContact O-N 2.94Å; L413-D416 PolarHBondContact O-N 2.89Å; D416-T420 VanDerWaalsContact O-CB 3.24Å; D416-T420 WeakPolarHBondContact O-CB 3.44Å; D416-T420 PolarHBondContact O-N 3.37Å; D416-T420 PolarHBondContact O-OG1 2.72Å; D416-Y485 WeakPolarHBondContact CA-OH 3.34Å; D416-Y485 WeakPolarHBondContact OD1-CE1 3.4Å; D416-Y485 PolarHBondContact OD1-OH 3.36Å |
| 417 | Q | 89.7 | Confident | 88.1 | Confident | 51 Ų | 51 | 31 Ų | 31 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 175.5 | -75.2 | 179.6 | -8.7 | 0 | 0 | 112.2 | L413 T420 I421 L619 | L413-Q417 WeakPolarHBondContact O-CB 3.37Å; L413-Q417 VanDerWaalsContact O-CG 3.3Å; L413-Q417 WeakPolarHBondContact O-CG 3.49Å; L413-Q417 PolarHBondContact O-N 3.05Å; Q417-T420 PolarHBondContact O-N 3.28Å; Q417-I421 WeakPolarHBondContact O-CG1 3.37Å; Q417-I421 PolarHBondContact O-N 2.82Å; Q417-L619 HydrophobicContact CB-CD1 4.3Å; Q417-L619 HydrophobicContact CB-CD2 4.42Å |
| 418 | F | 92.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.1 | -51.5 | 179.4 | -176 | -92.4 | 0 | 0 | 0 | 112.2 | C382 I384 L414 V415 T420 I421 L422 I574 L619 T622 | C382-F418 HydrophobicContact CB-CE1 4.38Å; C382-F418 HydrophobicContact CB-CZ 4.22Å; I384-F418 HydrophobicContact CD1-CB 4.41Å; I384-F418 HydrophobicContact CD1-CD1 3.51Å; I384-F418 HydrophobicContact CD1-CE1 3.76Å; I384-F418 HydrophobicContact CD1-CG 3.93Å; I384-F418 HydrophobicContact CD1-CZ 4.35Å; I384-F418 HydrophobicContact CG1-CD1 3.88Å; I384-F418 HydrophobicContact CG1-CD2 4.06Å; I384-F418 HydrophobicContact CG1-CE1 3.91Å; I384-F418 HydrophobicContact CG1-CE2 4.07Å; I384-F418 HydrophobicContact CG1-CG 3.94Å; I384-F418 HydrophobicContact CG1-CZ 3.98Å; I384-F418 HydrophobicContact CG2-CB 4.06Å; I384-F418 HydrophobicContact CG2-CD2 4.35Å; I384-F418 HydrophobicContact CG2-CG 4.2Å; L414-F418 VanDerWaalsContact O-CB 3.3Å; L414-F418 WeakPolarHBondContact O-CB 3.47Å; L414-F418 PolarHBondContact O-N 3.4Å; V415-F418 PolarHBondContact O-N 3.28Å; F418-T420 VanDerWaalsContact C-N 3.35Å; F418-T420 PolarHBondContact O-N 2.87Å; F418-I421 PolarHBondContact O-N 3.09Å; F418-L422 HydrophobicContact CD1-CD1 4.04Å; F418-L422 HydrophobicContact CE1-CD1 3.68Å; F418-L422 HydrophobicContact CE1-CG 4.43Å; F418-L422 HydrophobicContact CZ-CD1 4.45Å; F418-L422 WeakPolarHBondContact O-CG 3.39Å; F418-L422 PolarHBondContact O-N 3.27Å; F418-L422 VanDerWaalsContact O-N 3.15Å; F418-I574 HydrophobicContact CD2-CB 4.49Å; F418-I574 HydrophobicContact CD2-CD1 4.07Å; F418-I574 HydrophobicContact CE1-CD1 4.46Å; F418-I574 HydrophobicContact CE2-CB 4.27Å; F418-I574 HydrophobicContact CE2-CD1 3.59Å; F418-I574 HydrophobicContact CE2-CG1 4.17Å; F418-I574 HydrophobicContact CZ-CD1 3.82Å; F418-L619 HydrophobicContact CD2-CB 4.36Å; F418-T622 HydrophobicContact CE1-CG2 4.19Å; F418-T622 HydrophobicContact CE2-CG2 4.4Å; F418-T622 HydrophobicContact CZ-CG2 3.54Å |
| 419 | F | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.5 | -29.9 | 178.3 | -75.6 | -66.7 | 0 | 0 | 0 | 113.2 | I384 L404 V415 L422 A423 A480 M483 Y485 | I384-F419 HydrophobicContact CD1-CE2 4.32Å; L404-F419 HydrophobicContact CD1-CE2 4.32Å; L404-F419 HydrophobicContact CD2-CE2 4.48Å; L404-F419 HydrophobicContact CD2-CZ 4.15Å; V415-F419 HydrophobicContact CG1-CD2 3.73Å; V415-F419 HydrophobicContact CG1-CE2 3.67Å; V415-F419 WeakPolarHBondContact O-CD2 3.37Å; V415-F419 PolarHBondContact O-N 2.73Å; V415-F419 VanDerWaalsContact O-N 3.09Å; F419-L422 HydrophobicContact CD1-CD1 4.04Å; F419-L422 HydrophobicContact CE1-CD1 4.32Å; F419-L422 PolarHBondContact O-N 3.25Å; F419-A423 WeakPolarHBondContact O-CB 3.27Å; F419-A423 PolarHBondContact O-N 2.87Å; F419-A480 HydrophobicContact CD1-CB 4.48Å; F419-M483 HydrophobicContact CD1-CB 4.24Å; F419-M483 HydrophobicContact CD1-CG 4.29Å; F419-M483 HydrophobicContact CE1-CB 4.11Å; F419-M483 HydrophobicContact CE1-CG 3.66Å; F419-M483 HydrophobicContact CE2-CB 4.39Å; F419-M483 HydrophobicContact CE2-CE 4.18Å; F419-M483 HydrophobicContact CE2-CG 4.21Å; F419-M483 HydrophobicContact CG-CB 4.46Å; F419-M483 HydrophobicContact CZ-CB 4.2Å; F419-M483 HydrophobicContact CZ-CE 4.13Å; F419-M483 HydrophobicContact CZ-CG 3.62Å; F419-Y485 HydrophobicContact CB-CD1 4.07Å; F419-Y485 HydrophobicContact CB-CD2 3.52Å; F419-Y485 HydrophobicContact CB-CE1 4.09Å; F419-Y485 HydrophobicContact CB-CE2 3.56Å; F419-Y485 HydrophobicContact CB-CG 3.82Å; F419-Y485 HydrophobicContact CD2-CE2 4.25Å; F419-Y485 HydrophobicContact CG-CD2 4.14Å; F419-Y485 HydrophobicContact CG-CE2 4.1Å |
| 420 | T | 91.9 | Very high | 88.9 | Confident | 9 Ų | 9 | 22.6 Ų | 22.6 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.3 | -45 | 172 | -63.1 | 0 | 0 | 0 | 0 | 111.2 | D416 Q417 F418 L422 A423 V424 I499 Y506 | D416-T420 VanDerWaalsContact O-CB 3.24Å; D416-T420 WeakPolarHBondContact O-CB 3.44Å; D416-T420 PolarHBondContact O-N 3.37Å; D416-T420 PolarHBondContact O-OG1 2.72Å; Q417-T420 PolarHBondContact O-N 3.28Å; F418-T420 VanDerWaalsContact C-N 3.35Å; F418-T420 PolarHBondContact O-N 2.87Å; T420-L422 VanDerWaalsContact C-N 3.33Å; T420-L422 PolarHBondContact O-N 3.05Å; T420-A423 PolarHBondContact O-N 3.21Å; T420-A423 VanDerWaalsContact O-N 3.16Å; T420-V424 HydrophobicContact CG2-CG2 4.31Å; T420-V424 WeakPolarHBondContact O-CG2 3.28Å; T420-V424 PolarHBondContact O-N 3.12Å; T420-I499 HydrophobicContact CG2-CD1 4.48Å; T420-Y506 HydrophobicContact CG2-CE1 4.26Å; T420-Y506 HydrophobicContact CG2-CE2 4.4Å; T420-Y506 WeakPolarHBondContact CG2-OH 3.38Å |
| 421 | I | 92.7 | Very high | 88.8 | Confident | 7 Ų | 7 | 21.1 Ų | 21.1 | 4% | 0.036 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 177.8 | -68.3 | 164.9 | 0 | 0 | 0 | 111 | Q417 F418 A423 V424 C425 M535 I574 W576 L619 | Q417-I421 WeakPolarHBondContact O-CG1 3.37Å; Q417-I421 PolarHBondContact O-N 2.82Å; F418-I421 PolarHBondContact O-N 3.09Å; I421-A423 VanDerWaalsContact C-N 3.26Å; I421-A423 PolarHBondContact O-N 2.68Å; I421-V424 PolarHBondContact O-N 3.03Å; I421-C425 HydrophobicContact CG2-CB 3.98Å; I421-C425 VanDerWaalsContact O-CB 3.27Å; I421-C425 WeakPolarHBondContact O-CB 3.46Å; I421-C425 PolarHBondContact O-N 2.65Å; I421-M535 HydrophobicContact CB-SD 4.47Å; I421-M535 HydrophobicContact CG1-CB 4.33Å; I421-M535 HydrophobicContact CG1-CE 4.3Å; I421-M535 HydrophobicContact CG1-CG 3.91Å; I421-M535 HydrophobicContact CG1-SD 3.87Å; I421-M535 HydrophobicContact CG2-CB 4.09Å; I421-I574 HydrophobicContact CB-CG2 4.11Å; I421-I574 HydrophobicContact CD1-CG2 4.02Å; I421-I574 HydrophobicContact CG2-CG2 3.53Å; I421-W576 HydrophobicContact CD1-CB 3.95Å; I421-W576 HydrophobicContact CD1-CG 4.34Å; I421-L619 HydrophobicContact CD1-CD1 3.18Å |
| 422 | L | 92.7 | Very high | 88.7 | Confident | 6 Ų | 6 | 25.4 Ų | 25.4 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.8 | -35.7 | 174.5 | -71.1 | -176.7 | 0 | 0 | 0 | 113.1 | F379 F418 F419 T420 H426 L476 A480 I574 T622 | F379-L422 HydrophobicContact CE2-CD1 4.4Å; F418-L422 HydrophobicContact CD1-CD1 4.04Å; F418-L422 HydrophobicContact CE1-CD1 3.68Å; F418-L422 HydrophobicContact CE1-CG 4.43Å; F418-L422 HydrophobicContact CZ-CD1 4.45Å; F418-L422 WeakPolarHBondContact O-CG 3.39Å; F418-L422 PolarHBondContact O-N 3.27Å; F418-L422 VanDerWaalsContact O-N 3.15Å; F419-L422 HydrophobicContact CD1-CD1 4.04Å; F419-L422 HydrophobicContact CE1-CD1 4.32Å; F419-L422 PolarHBondContact O-N 3.25Å; T420-L422 VanDerWaalsContact C-N 3.33Å; T420-L422 PolarHBondContact O-N 3.05Å; L422-H426 PolarHBondContact O-CD2 2.86Å; L422-L476 HydrophobicContact CD2-CB 4.14Å; L422-L476 HydrophobicContact CD2-CD1 4.09Å; L422-L476 HydrophobicContact CD2-CD2 3.79Å; L422-L476 HydrophobicContact CD2-CG 4.21Å; L422-A480 HydrophobicContact CB-CB 4.17Å; L422-I574 HydrophobicContact CD2-CD1 3.35Å; L422-I574 HydrophobicContact CG-CD1 3.89Å; L422-T622 HydrophobicContact CD1-CG2 4.42Å; L422-T622 HydrophobicContact CD2-CG2 4.17Å |
| 423 | A | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -86.3 | -7.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | F419 T420 I421 H426 A480 V497 | F419-A423 WeakPolarHBondContact O-CB 3.27Å; F419-A423 PolarHBondContact O-N 2.87Å; T420-A423 PolarHBondContact O-N 3.21Å; T420-A423 VanDerWaalsContact O-N 3.16Å; I421-A423 VanDerWaalsContact C-N 3.26Å; I421-A423 PolarHBondContact O-N 2.68Å; A423-H426 PolarHBondContact O-NE2 3.26Å; A423-A480 HydrophobicContact CB-CB 4.11Å; A423-V497 HydrophobicContact CB-CG1 3.94Å; A423-V497 HydrophobicContact CB-CG2 4.34Å |
| 424 | V | 92.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -116.8 | -43.9 | -178.4 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | T420 I421 H426 V497 Y506 V525 M535 | T420-V424 HydrophobicContact CG2-CG2 4.31Å; T420-V424 WeakPolarHBondContact O-CG2 3.28Å; T420-V424 PolarHBondContact O-N 3.12Å; I421-V424 PolarHBondContact O-N 3.03Å; V424-H426 PolarHBondContact O-N 3.37Å; V424-V497 HydrophobicContact CG2-CG2 3.98Å; V424-Y506 HydrophobicContact CG1-CG 4.49Å; V424-Y506 HydrophobicContact CG2-CD1 4.37Å; V424-Y506 HydrophobicContact CG2-CD2 3.85Å; V424-Y506 HydrophobicContact CG2-CE2 4.07Å; V424-Y506 HydrophobicContact CG2-CG 4.01Å; V424-V525 HydrophobicContact CG1-CG1 4.24Å; V424-V525 HydrophobicContact CG1-CG2 3.92Å; V424-M535 HydrophobicContact CB-SD 4.11Å; V424-M535 HydrophobicContact CG1-SD 3.96Å |
| 425 | C | 91.6 | Very high | 84.1 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -84.7 | 71.7 | -175 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | I421 V523 M535 K537 | I421-C425 HydrophobicContact CG2-CB 3.98Å; I421-C425 VanDerWaalsContact O-CB 3.27Å; I421-C425 WeakPolarHBondContact O-CB 3.46Å; I421-C425 PolarHBondContact O-N 2.65Å; C425-V523 HydrophobicContact CB-CG2 4.43Å; C425-M535 HydrophobicContact CB-CB 4.15Å; C425-K537 VanDerWaalsContact O-CE 3.32Å; C425-K537 WeakPolarHBondContact O-CE 3.24Å; C425-K537 PolarHBondContact O-NZ 3.34Å |
| 426 | H | 91.3 | Very high | 81.9 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -157 | 169.1 | 178.3 | 62.2 | 75.1 | 0 | 0 | 0 | 113.4 | L422 A423 V424 V428 V477 F487 R490 | L422-H426 PolarHBondContact O-CD2 2.86Å; A423-H426 PolarHBondContact O-NE2 3.26Å; V424-H426 PolarHBondContact O-N 3.37Å; H426-V428 HydrophobicContact CB-CG2 4.14Å; H426-V428 WeakPolarHBondContact ND1-CB 3.31Å; H426-V428 PolarHBondContact ND1-N 3.43Å; H426-V428 VanDerWaalsContact ND1-N 3.19Å; H426-V477 HydrophobicContact CB-CG2 4.15Å; H426-V477 WeakPolarHBondContact CD2-CG2 3.48Å; H426-F487 AromaticContact CE1-CD1 3.62Å; H426-F487 AromaticContact CE1-CE1 3.47Å; H426-F487 VanDerWaalsContact CE1-CE1 3.47Å; H426-F487 WeakPolarHBondContact CE1-CE1 3.39Å; H426-F487 AromaticContact CE1-CZ 3.76Å; H426-F487 AromaticContact NE2-CD1 3.99Å; H426-R490 PolarHBondContact CE1-NH2 3.25Å; H426-R490 PolarHBondContact ND1-NH2 3.46Å; H426-R490 PolarHBondContact O-NH2 3.15Å |
| 427 | T | 87.6 | Confident | 79.5 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | trans | -98.3 | -5.7 | 175 | 71.1 | 0 | 0 | 0 | 0 | 113.9 | S469 E473 R490 M521 Q1132 I1136 | T427-S469 PolarHBondContact OG1-OG 3.18Å; T427-E473 WeakPolarHBondContact CA-OE2 3.22Å; T427-E473 WeakPolarHBondContact CB-OE2 3.37Å; T427-E473 PolarHBondContact N-OE2 3.48Å; T427-E473 PolarHBondContact OG1-OE2 2.84Å; T427-R490 PolarHBondContact O-NH1 2.77Å; T427-M521 HydrophobicContact CG2-CE 3.46Å; T427-M521 VanDerWaalsContact CG2-CE 3.46Å; T427-M521 HydrophobicContact CG2-SD 4.39Å; T427-Q1132 HydrophobicContact CG2-CB 4Å; T427-Q1132 HydrophobicContact CG2-CG 4.11Å; T427-I1136 HydrophobicContact CG2-CD1 4.15Å | ||
| 428 | V | 88.4 | Confident | 77 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -52.2 | 138.3 | 179.8 | -171.2 | 0 | 0 | 0 | 0 | 114.1 | H426 Y466 Q467 A468 E473 V477 F487 R490 | H426-V428 HydrophobicContact CB-CG2 4.14Å; H426-V428 WeakPolarHBondContact ND1-CB 3.31Å; H426-V428 PolarHBondContact ND1-N 3.43Å; H426-V428 VanDerWaalsContact ND1-N 3.19Å; V428-Y466 HydrophobicContact CG1-CD1 3.98Å; V428-Y466 HydrophobicContact CG1-CG 4.11Å; V428-Q467 CarbonylContact C-O 3.56Å; V428-Q467 WeakPolarHBondContact CA-O 3.37Å; V428-Q467 WeakPolarHBondContact CG1-O 3.22Å; V428-A468 HydrophobicContact CB-CB 4.39Å; V428-A468 HydrophobicContact CG1-CB 4.35Å; V428-A468 HydrophobicContact CG2-CB 3.74Å; V428-E473 HydrophobicContact CG2-CB 3.89Å; V428-V477 HydrophobicContact CB-CG2 4.27Å; V428-V477 HydrophobicContact CG2-CB 4.42Å; V428-V477 HydrophobicContact CG2-CG2 3.73Å; V428-F487 VanDerWaalsContact O-CE1 3.29Å; V428-F487 WeakPolarHBondContact O-CE1 3.5Å; V428-R490 PolarHBondContact O-NH1 2.85Å; V428-R490 PolarHBondContact O-NH2 3.05Å | ||
| 429 | V | 86.5 | Confident | 74.5 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.6 | 174.9 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | Q467 Y1139 | V429-Q467 PolarHBondContact N-O 3.02Å; V429-Q467 PolarHBondContact O-N 2.92Å; V429-Y1139 HydrophobicContact CG1-CD1 3.82Å; V429-Y1139 HydrophobicContact CG1-CE1 4.33Å; V429-Y1139 HydrophobicContact CG1-CG 4.31Å; V429-Y1139 HydrophobicContact CG2-CD1 4.11Å; V429-Y1139 HydrophobicContact CG2-CD2 4.16Å; V429-Y1139 HydrophobicContact CG2-CE1 4.48Å; V429-Y1139 HydrophobicContact CG2-CG 3.94Å |
| 430 | P | 88.3 | Confident | 71.7 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 4% | 0.039 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 128.8 | 176.9 | 32.9 | -24.4 | 0 | 0 | 0 | 110.4 | I464 Y466 F487 T488 | P430-I464 HydrophobicContact CB-CG2 3.67Å; P430-Y466 HydrophobicContact CB-CD1 4.34Å; P430-Y466 HydrophobicContact CB-CE1 4.2Å; P430-F487 HydrophobicContact CB-CD1 4.15Å; P430-F487 HydrophobicContact CB-CE1 3.89Å; P430-F487 HydrophobicContact CB-CZ 4.45Å; P430-F487 VanDerWaalsContact CD-CZ 3.48Å; P430-F487 HydrophobicContact CG-CD1 4.18Å; P430-F487 HydrophobicContact CG-CE1 3.55Å; P430-F487 HydrophobicContact CG-CE2 4.26Å; P430-F487 HydrophobicContact CG-CZ 3.62Å; P430-T488 WeakPolarHBondContact CG-O 3.36Å |
| 431 | E | 80.2 | Confident | 69.1 | Low | 54 Ų | 54 | 66.7 Ų | 66.7 | 25% | 0.252 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.6 | 174 | -170 | 172.8 | -131.1 | 0 | 0 | 110.1 | I464 N465 Q467 K1145 | E431-I464 WeakPolarHBondContact O-CA 3.35Å; E431-N465 PolarHBondContact N-O 2.79Å; E431-N465 PolarHBondContact O-N 3.37Å; E431-Q467 VanDerWaalsContact CD-NE2 3.32Å; E431-Q467 PolarHBondContact OE2-NE2 3.39Å; E431-K1145 IonicContact OE1-NZ 3.05Å; E431-K1145 PolarHBondContact OE1-NZ 3.27Å |
| 432 | R | 75.6 | Confident | 66.3 | Low | 130 Ų | 130 | 73.6 Ų | 73.6 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 117.4 | 175.8 | -61.3 | -176.6 | -172.6 | -176.3 | 2.4 | 108.9 | V434 T489 | R432-V434 PolarHBondContact O-N 2.92Å; R432-T489 PolarHBondContact NH2-OG1 2.99Å |
| 433 | S | 62.3 | Low | 63.5 | Low | 53 Ų | 53 | 79.9 Ų | 79.9 | 37% | 0.371 | 42% | 0.424 | S | S | . | . | trans | -67.7 | 116.3 | 173.2 | 62.1 | 0 | 0 | 0 | 0 | 109.8 | N435 L463 | S433-N435 PolarHBondContact O-N 3.16Å; S433-L463 PolarHBondContact OG-O 3.13Å | ||
| 434 | V | 55.5 | Low | 60.9 | Low | 117 Ų | 117 | 87.6 Ų | 87.6 | 71% | 0.709 | 47% | 0.465 | S | S | * | . | trans | -84.9 | 105.8 | 170.4 | -176.3 | 0 | 0 | 0 | 0 | 107.3 | R432 E436 | R432-V434 PolarHBondContact O-N 2.92Å; V434-E436 HydrophobicContact CG1-CG 4.27Å; V434-E436 PolarHBondContact O-N 3.5Å | ||
| 435 | N | 43.7 | Very low | 58 | Low | 130 Ų | 130 | 95 Ų | 95 | 70% | 0.695 | 50% | 0.504 | S | S | * | . | trans | -68.9 | 98.9 | 168 | -89.1 | -5.6 | 0 | 0 | 0 | 108.3 | S433 N437 | S433-N435 PolarHBondContact O-N 3.16Å; N435-N437 PolarHBondContact O-N 3.06Å; N435-N437 VanDerWaalsContact O-N 3.1Å | ||
| 436 | E | 43.1 | Very low | 55.5 | Low | 167 Ų | 167 | 101.9 Ų | 101.9 | 78% | 0.78 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 7.3 | 174.4 | -76 | -175.3 | 156.8 | 0 | 0 | 113.9 | V434 | V434-E436 HydrophobicContact CG1-CG 4.27Å; V434-E436 PolarHBondContact O-N 3.5Å |
| 437 | N | 39 | Very low | 52.7 | Low | 144 Ų | 144 | 108.3 Ų | 108.3 | 77% | 0.77 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 5.6 | -176.1 | -73.7 | -6.9 | 0 | 0 | 0 | 115.9 | N435 | N435-N437 PolarHBondContact O-N 3.06Å; N435-N437 VanDerWaalsContact O-N 3.1Å |
| 438 | N | 38.2 | Very low | 50.1 | Low | 155 Ų | 155 | 116.2 Ų | 116.2 | 83% | 0.829 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 18.3 | -175.3 | -91.8 | 5.7 | 0 | 0 | 0 | 116.1 | ||
| 439 | T | 39.4 | Very low | 47.3 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 1.7 | 176.8 | 38.1 | 0 | 0 | 0 | 0 | 116.2 | ||
| 440 | N | 34.6 | Very low | 44.7 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -145.6 | 131.8 | 171.5 | -76.4 | -43.3 | 0 | 0 | 0 | 111.1 | ||
| 441 | N | 37.2 | Very low | 41.9 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | 98.4 | 83.1 | 171.6 | -54.2 | -14.3 | 0 | 0 | 0 | 116.6 | ||||
| 442 | N | 33.1 | Very low | 39.4 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | -59.3 | 141.6 | 139.6 | -73.6 | -32.9 | 0 | 0 | 0 | 108.9 | ||||
| 443 | N | 33.9 | Very low | 37 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 89.4 | 95.2 | 177 | -47.4 | -22.9 | 0 | 0 | 0 | 114 | ||||
| 444 | D | 37.5 | Very low | 35.5 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | 178.9 | 106.9 | 111.5 | -80.5 | -18.5 | 0 | 0 | 0 | 110.1 | |||||
| 445 | N | 32.2 | Very low | 34.3 | Very low | 156 Ų | 156 | 145 Ų | 145 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -62.1 | 142.4 | 162.5 | -70.5 | -45.4 | 0 | 0 | 0 | 108.8 | ||||
| 446 | I | 38.7 | Very low | 33.5 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | 162.9 | 117.3 | 138.4 | -83.1 | 155.9 | 0 | 0 | 0 | 111 | ||||
| 447 | N | 32.5 | Very low | 32.9 | Very low | 138 Ų | 138 | 145 Ų | 145 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | 75.7 | 97.9 | 150.5 | -57.7 | -8.8 | 0 | 0 | 0 | 121.5 | ||||
| 448 | N | 31.5 | Very low | 32.9 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -126.5 | 112.7 | 149.6 | -88.8 | -19.1 | 0 | 0 | 0 | 110.1 | ||||
| 449 | N | 30.2 | Very low | 32.6 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -123.4 | 94.6 | 171.6 | -85.3 | -14.4 | 0 | 0 | 0 | 108.8 | ||||
| 450 | V | 32.1 | Very low | 32.5 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -166.1 | 92.7 | 148.2 | -177.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 451 | A | 28.9 | Very low | 32.9 | Very low | 87 Ų | 87 | 143.9 Ų | 143.9 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | 64.6 | 125.9 | 81 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 452 | V | 28.1 | Very low | 33.7 | Very low | 108 Ų | 108 | 142 Ų | 142 | 66% | 0.655 | 77% | 0.771 | S | S | * | * | cis | -163.8 | 157.9 | -12.6 | -178.1 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 453 | F | 26.3 | Very low | 35.2 | Very low | 188 Ų | 188 | 141.2 Ų | 141.2 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | 94.2 | 81.8 | 160.4 | -57.1 | -71.7 | 0 | 0 | 0 | 118.3 | ||||
| 454 | C | 30.6 | Very low | 37.4 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 89% | 0.892 | 74% | 0.736 | S | S | * | * | S | Bend | 179.4 | 107.4 | 117 | -83.6 | 0 | 0 | 0 | 0 | 109.6 | |||
| 455 | N | 30 | Very low | 39.6 | Very low | 162 Ų | 162 | 132 Ų | 132 | 87% | 0.866 | 72% | 0.716 | S | S | * | * | trans | 22.7 | 110.8 | 166.5 | -71.2 | -11.2 | 0 | 0 | 0 | 120.2 | N457 | N455-N457 PolarHBondContact O-N 3.24Š| ||
| 456 | D | 26.8 | Very low | 42.1 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 73% | 0.733 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -46.1 | 112.6 | 163.9 | -63.7 | -55.5 | 0 | 0 | 0 | 113.3 | ||
| 457 | N | 30.9 | Very low | 44.2 | Very low | 160 Ų | 160 | 118.5 Ų | 118.5 | 86% | 0.856 | 65% | 0.645 | S | S | * | * | trans | 179.3 | 12.4 | 145.5 | -91.1 | -25.2 | 0 | 0 | 0 | 114.3 | N455 | N455-N457 PolarHBondContact O-N 3.24Š| ||
| 458 | L | 38.3 | Very low | 46.5 | Very low | 128 Ų | 128 | 112.6 Ų | 112.6 | 67% | 0.67 | 62% | 0.615 | S | S | * | * | trans | -104.3 | 19 | -179.3 | -120 | 87.5 | 0 | 0 | 0 | 115.3 | N460 | L458-N460 PolarHBondContact O-N 3.11Š| ||
| 459 | N | 32.1 | Very low | 48.6 | Very low | 140 Ų | 140 | 105.5 Ų | 105.5 | 75% | 0.749 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 14.7 | -168.2 | -74.1 | -12 | 0 | 0 | 0 | 116.5 | ||
| 460 | N | 36.5 | Very low | 50.9 | Low | 160 Ų | 160 | 98.1 Ų | 98.1 | 86% | 0.856 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.4 | 3.3 | 175.7 | -91.1 | -31 | 0 | 0 | 0 | 115.8 | L458 Q462 | L458-N460 PolarHBondContact O-N 3.11Å; N460-Q462 VanDerWaalsContact C-N 3.33Å; N460-Q462 PolarHBondContact O-N 3.07Å |
| 461 | E | 42.9 | Very low | 53.3 | Low | 107 Ų | 107 | 93 Ų | 93 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -87.3 | 80.9 | 175.7 | -68.9 | -173.3 | -168.6 | 0 | 0 | 109.6 | K498 | E461-K498 IonicContact OE1-NZ 3.87Å; E461-K498 PolarHBondContact OE1-NZ 3.27Å; E461-K498 IonicContact OE2-NZ 2.96Å; E461-K498 PolarHBondContact OE2-NZ 3.01Å |
| 462 | Q | 53.5 | Low | 55.9 | Low | 114 Ų | 114 | 88.8 Ų | 88.8 | 53% | 0.533 | 48% | 0.475 | S | S | . | . | trans | -5.4 | 124.6 | 167 | -66.5 | 171.8 | -11.7 | 0 | 0 | 114.6 | N460 I464 | N460-Q462 VanDerWaalsContact C-N 3.33Å; N460-Q462 PolarHBondContact O-N 3.07Å; Q462-I464 PolarHBondContact O-N 2.99Å | ||
| 463 | L | 65.9 | Low | 58.8 | Low | 135 Ų | 135 | 83.7 Ų | 83.7 | 71% | 0.707 | 44% | 0.444 | S | S | * | . | trans | -50.9 | 96.2 | 172.3 | -92 | 111.7 | 0 | 0 | 0 | 111 | S433 N465 | S433-L463 PolarHBondContact OG-O 3.13Å; L463-N465 PolarHBondContact O-N 3.35Å | ||
| 464 | I | 79.4 | Confident | 61.7 | Low | 21 Ų | 21 | 75.3 Ų | 75.3 | 11% | 0.108 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 119 | 169.5 | -56.9 | -179.3 | 0 | 0 | 0 | 106.8 | P430 E431 Q462 Y466 R481 V486 T488 | P430-I464 HydrophobicContact CB-CG2 3.67Å; E431-I464 WeakPolarHBondContact O-CA 3.35Å; Q462-I464 PolarHBondContact O-N 2.99Å; I464-Y466 HydrophobicContact CG2-CD1 4.14Å; I464-Y466 HydrophobicContact CG2-CE1 3.74Å; I464-R481 PolarHBondContact O-NH1 2.79Å; I464-V486 HydrophobicContact CD1-CG1 4.31Å; I464-T488 HydrophobicContact CD1-CG2 4.31Å |
| 465 | N | 83.3 | Confident | 64.5 | Low | 85 Ų | 85 | 69.3 Ų | 69.3 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.6 | 170.8 | -168 | 17.3 | 0 | 0 | 0 | 109.1 | E431 L463 | E431-N465 PolarHBondContact N-O 2.79Å; E431-N465 PolarHBondContact O-N 3.37Å; L463-N465 PolarHBondContact O-N 3.35Å |
| 466 | Y | 86.2 | Confident | 67.5 | Low | 11 Ų | 11 | 61.9 Ų | 61.9 | 4% | 0.043 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 106.4 | -179.3 | -72.3 | -48.5 | 0 | 0 | 0 | 109.6 | V428 P430 I464 V477 K478 R481 F487 | V428-Y466 HydrophobicContact CG1-CD1 3.98Å; V428-Y466 HydrophobicContact CG1-CG 4.11Å; P430-Y466 HydrophobicContact CB-CD1 4.34Å; P430-Y466 HydrophobicContact CB-CE1 4.2Å; I464-Y466 HydrophobicContact CG2-CD1 4.14Å; I464-Y466 HydrophobicContact CG2-CE1 3.74Å; Y466-V477 HydrophobicContact CD1-CG1 4.07Å; Y466-V477 HydrophobicContact CD2-CG1 3.99Å; Y466-V477 HydrophobicContact CE1-CG1 3.99Å; Y466-V477 HydrophobicContact CE2-CG1 3.87Å; Y466-V477 HydrophobicContact CG-CG1 4.1Å; Y466-K478 HydrophobicContact CD2-CG 4.04Å; Y466-R481 HydrophobicContact CE2-CB 4.08Å; Y466-R481 HydrophobicContact CE2-CG 4.42Å; Y466-F487 HydrophobicContact CD1-CD1 4.03Å; Y466-F487 HydrophobicContact CE1-CB 4.13Å; Y466-F487 AromaticContact CE1-CD1 3.63Å; Y466-F487 HydrophobicContact CE1-CD1 3.63Å; Y466-F487 HydrophobicContact CE1-CG 4.31Å; Y466-F487 WeakPolarHBondContact CE1-O 3.4Å; Y466-F487 PolarHBondContact OH-N 2.85Å; Y466-F487 PolarHBondContact OH-O 2.85Å |
| 467 | Q | 82.6 | Confident | 70.6 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.5 | 176.3 | -62.4 | -173.8 | -11.4 | 0 | 0 | 109.2 | N216 V428 V429 E431 | N216-Q467 HydrophobicContact CB-CB 4.45Å; N216-Q467 HydrophobicContact CB-CG 4.19Å; N216-Q467 PolarHBondContact O-NE2 2.91Å; N216-Q467 PolarHBondContact O-OE1 2.85Å; V428-Q467 CarbonylContact C-O 3.56Å; V428-Q467 WeakPolarHBondContact CA-O 3.37Å; V428-Q467 WeakPolarHBondContact CG1-O 3.22Å; V429-Q467 PolarHBondContact N-O 3.02Å; V429-Q467 PolarHBondContact O-N 2.92Å; E431-Q467 VanDerWaalsContact CD-NE2 3.32Å; E431-Q467 PolarHBondContact OE2-NE2 3.39Å |
| 468 | A | 80.7 | Confident | 73.5 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | trans | -131 | 150.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V428 S470 A474 | V428-A468 HydrophobicContact CB-CB 4.39Å; V428-A468 HydrophobicContact CG1-CB 4.35Å; V428-A468 HydrophobicContact CG2-CB 3.74Å; A468-S470 VanDerWaalsContact CB-O 3.22Å; A468-S470 WeakPolarHBondContact CB-O 3.27Å; A468-A474 HydrophobicContact CB-CB 3.83Å | ||
| 469 | S | 74.3 | Confident | 75.9 | Confident | 19 Ų | 19 | 47.2 Ų | 47.2 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -73.3 | -36.8 | 168 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | T427 Q1124 | T427-S469 PolarHBondContact OG1-OG 3.18Å; S469-Q1124 PolarHBondContact OG-NE2 3.47Å |
| 470 | S | 79.2 | Confident | 78.7 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -103.8 | 128.8 | 175.9 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | A468 D472 E473 A474 S1123 | A468-S470 VanDerWaalsContact CB-O 3.22Å; A468-S470 WeakPolarHBondContact CB-O 3.27Å; S470-D472 PolarHBondContact O-N 2.82Å; S470-D472 PolarHBondContact OG-N 2.82Å; S470-E473 PolarHBondContact O-N 3.35Å; S470-A474 PolarHBondContact O-N 3.4Å; S470-S1123 WeakPolarHBondContact CB-O 3.2Å; S470-S1123 PolarHBondContact OG-O 3.42Å |
| 471 | P | 82.1 | Confident | 81.2 | Confident | 33 Ų | 33 | 37 Ų | 37 | 21% | 0.214 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.8 | -25.8 | 173.9 | 29.6 | -35.2 | 0 | 0 | 0 | 112.3 | M377 A474 A475 | M377-P471 HydrophobicContact CB-CB 4.49Å; M377-P471 HydrophobicContact CE-CG 4.17Å; M377-P471 HydrophobicContact CG-CB 3.72Å; M377-P471 HydrophobicContact CG-CG 4.05Å; P471-A474 PolarHBondContact O-N 3.22Å; P471-A475 PolarHBondContact O-N 3.26Å |
| 472 | D | 85.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 175.2 | -60.7 | -37.1 | 0 | 0 | 0 | 109.9 | S470 A474 A475 L476 R570 I624 F1122 S1123 | S470-D472 PolarHBondContact O-N 2.82Å; S470-D472 PolarHBondContact OG-N 2.82Å; D472-A474 PolarHBondContact O-N 2.94Å; D472-A475 PolarHBondContact O-N 3.35Å; D472-L476 WeakPolarHBondContact O-CG 3.29Å; D472-L476 PolarHBondContact O-N 2.89Å; D472-R570 IonicContact OD1-NH1 3.64Å; D472-R570 PolarHBondContact OD1-NH1 2.82Å; D472-R570 IonicContact OD2-NH1 3.71Å; D472-R570 PolarHBondContact OD2-NH1 3.06Å; D472-I624 HydrophobicContact CB-CD1 4.02Å; D472-F1122 HydrophobicContact CB-CD2 4.03Å; D472-F1122 HydrophobicContact CB-CE2 3.9Å; D472-S1123 PolarHBondContact OD2-N 2.87Å |
| 473 | E | 87.7 | Confident | 84.9 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 175 | -66.5 | -161 | 146.3 | 0 | 0 | 112.5 | T427 V428 S470 A475 L476 V477 K537 F1122 | T427-E473 WeakPolarHBondContact CA-OE2 3.22Å; T427-E473 WeakPolarHBondContact CB-OE2 3.37Å; T427-E473 PolarHBondContact N-OE2 3.48Å; T427-E473 PolarHBondContact OG1-OE2 2.84Å; V428-E473 HydrophobicContact CG2-CB 3.89Å; S470-E473 PolarHBondContact O-N 3.35Å; E473-A475 VanDerWaalsContact C-N 3.29Å; E473-A475 PolarHBondContact O-N 3.3Å; E473-L476 PolarHBondContact O-N 3.33Å; E473-V477 WeakPolarHBondContact O-CG2 3.3Å; E473-V477 PolarHBondContact O-N 3.44Å; E473-K537 IonicContact OE1-NZ 3.94Å; E473-K537 PolarHBondContact OE1-NZ 3.2Å; E473-F1122 HydrophobicContact CG-CE2 4.24Å; E473-F1122 HydrophobicContact CG-CZ 3.79Å |
| 474 | A | 87.7 | Confident | 85.8 | Confident | 12 Ų | 12 | 27 Ų | 27 | 10% | 0.099 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | A468 S470 P471 D472 V477 K478 | A468-A474 HydrophobicContact CB-CB 3.83Å; S470-A474 PolarHBondContact O-N 3.4Å; P471-A474 PolarHBondContact O-N 3.22Å; D472-A474 PolarHBondContact O-N 2.94Å; A474-V477 PolarHBondContact O-N 3.49Å; A474-K478 VanDerWaalsContact O-CB 3.31Å; A474-K478 WeakPolarHBondContact O-CB 3.31Å; A474-K478 WeakPolarHBondContact O-CG 3.47Å; A474-K478 PolarHBondContact O-N 3.49Å |
| 475 | A | 90 | Very high | 86.3 | Confident | 6 Ų | 6 | 26.1 Ų | 26.1 | 5% | 0.05 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.9 | -42.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | M377 P471 D472 E473 K478 A479 I624 | M377-A475 HydrophobicContact CB-CB 3.89Å; M377-A475 WeakPolarHBondContact O-CB 3.1Å; P471-A475 PolarHBondContact O-N 3.26Å; D472-A475 PolarHBondContact O-N 3.35Å; E473-A475 VanDerWaalsContact C-N 3.29Å; E473-A475 PolarHBondContact O-N 3.3Å; A475-K478 PolarHBondContact O-N 3.35Å; A475-A479 WeakPolarHBondContact O-CB 3.03Å; A475-A479 PolarHBondContact O-N 2.87Å; A475-I624 HydrophobicContact CB-CG2 4.31Å |
| 476 | L | 92.6 | Very high | 86.6 | Confident | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 176.3 | -69.4 | 179.1 | 0 | 0 | 0 | 112.7 | F379 L422 D472 E473 A479 A480 L572 T622 I624 | F379-L476 HydrophobicContact CD2-CD2 3.93Å; F379-L476 HydrophobicContact CE2-CD2 3.94Å; L422-L476 HydrophobicContact CD2-CB 4.14Å; L422-L476 HydrophobicContact CD2-CD1 4.09Å; L422-L476 HydrophobicContact CD2-CD2 3.79Å; L422-L476 HydrophobicContact CD2-CG 4.21Å; D472-L476 WeakPolarHBondContact O-CG 3.29Å; D472-L476 PolarHBondContact O-N 2.89Å; E473-L476 PolarHBondContact O-N 3.33Å; L476-A479 WeakPolarHBondContact O-CB 3.39Å; L476-A479 PolarHBondContact O-N 3.19Å; L476-A480 PolarHBondContact O-N 3.47Å; L476-L572 HydrophobicContact CD1-CD1 4Å; L476-T622 HydrophobicContact CD2-CG2 3.89Å; L476-I624 HydrophobicContact CD2-CD1 3.84Å; L476-I624 HydrophobicContact CD2-CG1 4.32Å; L476-I624 HydrophobicContact CG-CD1 3.95Å |
| 477 | V | 92.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.2 | -37.7 | -179.9 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | H426 V428 Y466 E473 A474 A479 A480 R481 F487 | H426-V477 HydrophobicContact CB-CG2 4.15Å; H426-V477 WeakPolarHBondContact CD2-CG2 3.48Å; V428-V477 HydrophobicContact CB-CG2 4.27Å; V428-V477 HydrophobicContact CG2-CB 4.42Å; V428-V477 HydrophobicContact CG2-CG2 3.73Å; Y466-V477 HydrophobicContact CD1-CG1 4.07Å; Y466-V477 HydrophobicContact CD2-CG1 3.99Å; Y466-V477 HydrophobicContact CE1-CG1 3.99Å; Y466-V477 HydrophobicContact CE2-CG1 3.87Å; Y466-V477 HydrophobicContact CG-CG1 4.1Å; E473-V477 WeakPolarHBondContact O-CG2 3.3Å; E473-V477 PolarHBondContact O-N 3.44Å; A474-V477 PolarHBondContact O-N 3.49Å; V477-A479 VanDerWaalsContact C-N 3.33Å; V477-A479 PolarHBondContact O-N 3.14Å; V477-A480 PolarHBondContact O-N 3.05Å; V477-R481 PolarHBondContact O-N 3.04Å; V477-F487 HydrophobicContact CG1-CB 4.25Å; V477-F487 HydrophobicContact CG1-CD1 4.31Å |
| 478 | K | 90.4 | Very high | 87.1 | Confident | 113 Ų | 113 | 22.9 Ų | 22.9 | 49% | 0.491 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 172.9 | -76.1 | 174.1 | -177.7 | 178.6 | 0 | 111.8 | Y466 A474 A475 R481 T482 | Y466-K478 HydrophobicContact CD2-CG 4.04Å; A474-K478 VanDerWaalsContact O-CB 3.31Å; A474-K478 WeakPolarHBondContact O-CB 3.31Å; A474-K478 WeakPolarHBondContact O-CG 3.47Å; A474-K478 PolarHBondContact O-N 3.49Å; A475-K478 PolarHBondContact O-N 3.35Å; K478-R481 PolarHBondContact O-N 2.99Å; K478-T482 PolarHBondContact O-N 2.75Å; K478-T482 PolarHBondContact O-OG1 2.97Å |
| 479 | A | 89.8 | Confident | 87.5 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F379 L399 A475 L476 V477 R481 T482 M483 | F379-A479 HydrophobicContact CB-CB 3.66Å; F379-A479 HydrophobicContact CD1-CB 4.02Å; F379-A479 HydrophobicContact CD2-CB 3.89Å; F379-A479 HydrophobicContact CE2-CB 4.48Å; F379-A479 HydrophobicContact CG-CB 3.6Å; L399-A479 HydrophobicContact CD1-CB 4.43Å; L399-A479 HydrophobicContact CD2-CB 4.27Å; A475-A479 WeakPolarHBondContact O-CB 3.03Å; A475-A479 PolarHBondContact O-N 2.87Å; L476-A479 WeakPolarHBondContact O-CB 3.39Å; L476-A479 PolarHBondContact O-N 3.19Å; V477-A479 VanDerWaalsContact C-N 3.33Å; V477-A479 PolarHBondContact O-N 3.14Å; A479-R481 PolarHBondContact O-N 2.81Å; A479-T482 WeakPolarHBondContact O-CB 3.41Å; A479-T482 PolarHBondContact O-N 3.33Å; A479-M483 PolarHBondContact O-N 3.14Å |
| 480 | A | 90.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.3 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F419 L422 A423 L476 V477 T482 M483 G484 Y485 | F419-A480 HydrophobicContact CD1-CB 4.48Å; L422-A480 HydrophobicContact CB-CB 4.17Å; A423-A480 HydrophobicContact CB-CB 4.11Å; L476-A480 PolarHBondContact O-N 3.47Å; V477-A480 PolarHBondContact O-N 3.05Å; A480-T482 VanDerWaalsContact C-N 3.34Å; A480-T482 PolarHBondContact O-N 3.48Å; A480-M483 CarbonylContact O-C 3.6Å; A480-M483 PolarHBondContact O-N 3.02Å; A480-G484 PolarHBondContact O-N 3.22Å; A480-Y485 CarbonylContact C-O 3.6Å; A480-Y485 VanDerWaalsContact C-O 3.32Å; A480-Y485 WeakPolarHBondContact O-CA 3.37Å; A480-Y485 WeakPolarHBondContact O-CB 3.19Å; A480-Y485 PolarHBondContact O-N 3.32Å |
| 481 | R | 89.3 | Confident | 88.6 | Confident | 87 Ų | 87 | 23 Ų | 23 | 33% | 0.328 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -58.3 | -44.4 | 174 | 172.4 | 179.3 | 172.8 | 178.8 | 1 | 112 | I464 Y466 V477 K478 A479 M483 G484 Y485 V486 | I464-R481 PolarHBondContact O-NH1 2.79Å; Y466-R481 HydrophobicContact CE2-CB 4.08Å; Y466-R481 HydrophobicContact CE2-CG 4.42Å; V477-R481 PolarHBondContact O-N 3.04Å; K478-R481 PolarHBondContact O-N 2.99Å; A479-R481 PolarHBondContact O-N 2.81Å; R481-M483 PolarHBondContact O-N 2.91Å; R481-G484 PolarHBondContact O-N 3.23Å; R481-Y485 WeakPolarHBondContact CA-O 3.35Å; R481-Y485 PolarHBondContact N-O 2.92Å; R481-V486 HydrophobicContact CG-CG2 4.28Å |
| 482 | T | 86.9 | Confident | 88.7 | Confident | 98 Ų | 98 | 23.4 Ų | 23.4 | 60% | 0.601 | 13% | 0.131 | S | C | * | . | H | α-helix | trans | -61.7 | -33 | -179.4 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | L399 K478 A479 A480 G484 | L399-T482 HydrophobicContact CD1-CG2 4.34Å; K478-T482 PolarHBondContact O-N 2.75Å; K478-T482 PolarHBondContact O-OG1 2.97Å; A479-T482 WeakPolarHBondContact O-CB 3.41Å; A479-T482 PolarHBondContact O-N 3.33Å; A480-T482 VanDerWaalsContact C-N 3.34Å; A480-T482 PolarHBondContact O-N 3.48Å; T482-G484 VanDerWaalsContact C-N 3.29Å; T482-G484 PolarHBondContact O-N 3.5Å |
| 483 | M | 86.2 | Confident | 88.8 | Confident | 17 Ų | 17 | 27.8 Ų | 27.8 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 10.6 | 176.3 | -58.4 | -60.6 | -76.5 | 0 | 0 | 113.9 | L399 L404 L408 F419 A479 A480 R481 Y485 | L399-M483 HydrophobicContact CD2-CG 3.61Å; L399-M483 HydrophobicContact CD2-SD 3.68Å; L404-M483 HydrophobicContact CD2-CE 3.69Å; L404-M483 HydrophobicContact CG-CE 3.72Å; L408-M483 HydrophobicContact CD2-CB 4.44Å; L408-M483 HydrophobicContact CD2-CE 4.17Å; L408-M483 WeakPolarHBondContact CD2-O 3.33Å; F419-M483 HydrophobicContact CD1-CB 4.24Å; F419-M483 HydrophobicContact CD1-CG 4.29Å; F419-M483 HydrophobicContact CE1-CB 4.11Å; F419-M483 HydrophobicContact CE1-CG 3.66Å; F419-M483 HydrophobicContact CE2-CB 4.39Å; F419-M483 HydrophobicContact CE2-CE 4.18Å; F419-M483 HydrophobicContact CE2-CG 4.21Å; F419-M483 HydrophobicContact CG-CB 4.46Å; F419-M483 HydrophobicContact CZ-CB 4.2Å; F419-M483 HydrophobicContact CZ-CE 4.13Å; F419-M483 HydrophobicContact CZ-CG 3.62Å; A479-M483 PolarHBondContact O-N 3.14Å; A480-M483 CarbonylContact O-C 3.6Å; A480-M483 PolarHBondContact O-N 3.02Å; R481-M483 PolarHBondContact O-N 2.91Å; M483-Y485 HydrophobicContact CB-CD2 4.32Å; M483-Y485 WeakPolarHBondContact O-CD2 3.42Å |
| 484 | G | 85.1 | Confident | 88.9 | Confident | 31 Ų | 31 | 30.9 Ų | 30.9 | 32% | 0.32 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 13.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116 | A480 R481 T482 R500 | A480-G484 PolarHBondContact O-N 3.22Å; R481-G484 PolarHBondContact O-N 3.23Å; T482-G484 VanDerWaalsContact C-N 3.29Å; T482-G484 PolarHBondContact O-N 3.5Å; G484-R500 PolarHBondContact O-N 3.4Å |
| 485 | Y | 89.9 | Confident | 89.1 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 84 | 172 | -61.8 | -104.1 | 0 | 0 | 0 | 108.6 | L408 D416 F419 A480 R481 M483 I499 | L408-Y485 HydrophobicContact CD1-CE2 3.85Å; L408-Y485 WeakPolarHBondContact CD1-OH 3.24Å; D416-Y485 WeakPolarHBondContact CA-OH 3.34Å; D416-Y485 WeakPolarHBondContact OD1-CE1 3.4Å; D416-Y485 PolarHBondContact OD1-OH 3.36Å; F419-Y485 HydrophobicContact CB-CD1 4.07Å; F419-Y485 HydrophobicContact CB-CD2 3.52Å; F419-Y485 HydrophobicContact CB-CE1 4.09Å; F419-Y485 HydrophobicContact CB-CE2 3.56Å; F419-Y485 HydrophobicContact CB-CG 3.82Å; F419-Y485 HydrophobicContact CD2-CE2 4.25Å; F419-Y485 HydrophobicContact CG-CD2 4.14Å; F419-Y485 HydrophobicContact CG-CE2 4.1Å; A480-Y485 CarbonylContact C-O 3.6Å; A480-Y485 VanDerWaalsContact C-O 3.32Å; A480-Y485 WeakPolarHBondContact O-CA 3.37Å; A480-Y485 WeakPolarHBondContact O-CB 3.19Å; A480-Y485 PolarHBondContact O-N 3.32Å; R481-Y485 WeakPolarHBondContact CA-O 3.35Å; R481-Y485 PolarHBondContact N-O 2.92Å; M483-Y485 HydrophobicContact CB-CD2 4.32Å; M483-Y485 WeakPolarHBondContact O-CD2 3.42Å; Y485-I499 HydrophobicContact CD1-CB 4.31Å; Y485-I499 HydrophobicContact CD1-CD1 3.89Å; Y485-I499 HydrophobicContact CD1-CG1 3.79Å; Y485-I499 HydrophobicContact CD1-CG2 3.81Å; Y485-I499 HydrophobicContact CE1-CB 4.43Å; Y485-I499 HydrophobicContact CE1-CD1 4.08Å; Y485-I499 HydrophobicContact CE1-CG1 4.24Å; Y485-I499 HydrophobicContact CE1-CG2 3.48Å; Y485-I499 VanDerWaalsContact CE1-CG2 3.48Å |
| 486 | V | 90.9 | Very high | 89.2 | Confident | 26 Ų | 26 | 30.3 Ų | 30.3 | 16% | 0.158 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 112.2 | -172.3 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | I464 R481 T488 V497 K498 | I464-V486 HydrophobicContact CD1-CG1 4.31Å; R481-V486 HydrophobicContact CG-CG2 4.28Å; V486-T488 HydrophobicContact CG1-CG2 4.1Å; V486-T488 PolarHBondContact O-N 3.02Å; V486-V497 CarbonylContact O-C 3.58Å; V486-V497 WeakPolarHBondContact O-CA 3.24Å; V486-K498 HydrophobicContact CB-CB 4.34Å; V486-K498 PolarHBondContact N-O 3.38Å; V486-K498 PolarHBondContact O-N 2.88Å |
| 487 | F | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 117.3 | 169.2 | 169.3 | -126.4 | 0 | 0 | 0 | 109.5 | H426 V428 P430 Y466 V477 T489 R490 V495 | H426-F487 AromaticContact CE1-CD1 3.62Å; H426-F487 AromaticContact CE1-CE1 3.47Å; H426-F487 VanDerWaalsContact CE1-CE1 3.47Å; H426-F487 WeakPolarHBondContact CE1-CE1 3.39Å; H426-F487 AromaticContact CE1-CZ 3.76Å; H426-F487 AromaticContact NE2-CD1 3.99Å; V428-F487 VanDerWaalsContact O-CE1 3.29Å; V428-F487 WeakPolarHBondContact O-CE1 3.5Å; P430-F487 HydrophobicContact CB-CD1 4.15Å; P430-F487 HydrophobicContact CB-CE1 3.89Å; P430-F487 HydrophobicContact CB-CZ 4.45Å; P430-F487 VanDerWaalsContact CD-CZ 3.48Å; P430-F487 HydrophobicContact CG-CD1 4.18Å; P430-F487 HydrophobicContact CG-CE1 3.55Å; P430-F487 HydrophobicContact CG-CE2 4.26Å; P430-F487 HydrophobicContact CG-CZ 3.62Å; Y466-F487 HydrophobicContact CD1-CD1 4.03Å; Y466-F487 HydrophobicContact CE1-CB 4.13Å; Y466-F487 AromaticContact CE1-CD1 3.63Å; Y466-F487 HydrophobicContact CE1-CD1 3.63Å; Y466-F487 HydrophobicContact CE1-CG 4.31Å; Y466-F487 WeakPolarHBondContact CE1-O 3.4Å; Y466-F487 PolarHBondContact OH-N 2.85Å; Y466-F487 PolarHBondContact OH-O 2.85Å; V477-F487 HydrophobicContact CG1-CB 4.25Å; V477-F487 HydrophobicContact CG1-CD1 4.31Å; F487-T489 WeakPolarHBondContact CE2-O 3.38Å; F487-R490 HydrophobicContact CE2-CB 4.11Å; F487-R490 HydrophobicContact CZ-CB 3.78Å; F487-V495 HydrophobicContact CD2-CG1 3.73Å; F487-V495 HydrophobicContact CE2-CB 4.32Å; F487-V495 HydrophobicContact CE2-CG1 3.59Å; F487-V495 HydrophobicContact CE2-CG2 4Å |
| 488 | T | 87.7 | Confident | 89.1 | Confident | 12 Ų | 12 | 31.7 Ų | 31.7 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -47.5 | -169.6 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | P430 I464 V486 V496 K498 | P430-T488 WeakPolarHBondContact CG-O 3.36Å; I464-T488 HydrophobicContact CD1-CG2 4.31Å; V486-T488 HydrophobicContact CG1-CG2 4.1Å; V486-T488 PolarHBondContact O-N 3.02Å; T488-V496 PolarHBondContact N-O 2.79Å; T488-V496 PolarHBondContact OG1-O 3.3Å; T488-K498 HydrophobicContact CG2-CB 4.11Å |
| 489 | T | 88.3 | Confident | 88.9 | Confident | 19 Ų | 19 | 26.6 Ų | 26.6 | 12% | 0.117 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 138.1 | -169.9 | -50.9 | 0 | 0 | 0 | 0 | 110 | R432 F487 V496 S1141 T1142 | R432-T489 PolarHBondContact NH2-OG1 2.99Å; F487-T489 WeakPolarHBondContact CE2-O 3.38Å; T489-V496 PolarHBondContact O-N 3.43Å; T489-S1141 WeakPolarHBondContact CG2-OG 3.38Å; T489-T1142 HydrophobicContact CG2-CG2 3.54Å |
| 490 | R | 89 | Confident | 88.4 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134 | 166.9 | 173.4 | 173.3 | -72 | -174.9 | -3.5 | 110.7 | H426 T427 V428 F487 V495 S1141 | H426-R490 PolarHBondContact CE1-NH2 3.25Å; H426-R490 PolarHBondContact ND1-NH2 3.46Å; H426-R490 PolarHBondContact O-NH2 3.15Å; T427-R490 PolarHBondContact O-NH1 2.77Å; V428-R490 PolarHBondContact O-NH1 2.85Å; V428-R490 PolarHBondContact O-NH2 3.05Å; F487-R490 HydrophobicContact CE2-CB 4.11Å; F487-R490 HydrophobicContact CZ-CB 3.78Å; R490-V495 HydrophobicContact CB-CG2 4.36Å; R490-V495 HydrophobicContact CG-CG2 4.25Å; R490-S1141 PolarHBondContact N-OG 2.81Å; R490-S1141 PolarHBondContact O-N 3.3Å; R490-S1141 PolarHBondContact O-OG 3.11Å |
| 491 | T | 87.6 | Confident | 87.9 | Confident | 15 Ų | 15 | 35 Ų | 35 | 9% | 0.092 | 20% | 0.199 | C | C | . | . | trans | -117.2 | 171 | 165.2 | 77.3 | 0 | 0 | 0 | 0 | 108.6 | T493 E494 Y1139 T1142 | T491-T493 PolarHBondContact O-N 3.06Å; T491-T493 PolarHBondContact OG1-N 3.46Å; T491-E494 HydrophobicContact CG2-CG 3.97Å; T491-E494 PolarHBondContact N-O 2.99Å; T491-E494 WeakPolarHBondContact OG1-CG 3.19Å; T491-E494 PolarHBondContact OG1-N 2.79Å; T491-E494 PolarHBondContact OG1-O 3.45Å; T491-Y1139 CarbonylContact C-O 3.59Å; T491-T1142 HydrophobicContact CG2-CG2 4.34Å | ||
| 492 | P | 85.4 | Confident | 87.8 | Confident | 42 Ų | 42 | 35.4 Ų | 35.4 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -56.3 | -23.1 | 176.5 | -31 | 39 | 0 | 0 | 0 | 114.6 | R1137 Y1139 | P492-R1137 VanDerWaalsContact CB-O 3.28Å; P492-R1137 WeakPolarHBondContact CB-O 3.39Å; P492-R1137 WeakPolarHBondContact CG-O 3.32Å; P492-R1137 WeakPolarHBondContact O-CD 3.5Å; P492-R1137 PolarHBondContact O-NH1 3.19Å; P492-Y1139 WeakPolarHBondContact CD-O 3.3Å |
| 493 | T | 87.1 | Confident | 88 | Confident | 92 Ų | 92 | 36 Ų | 36 | 56% | 0.564 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -119.9 | -16.5 | -173.7 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | T491 G507 I508 | T491-T493 PolarHBondContact O-N 3.06Å; T491-T493 PolarHBondContact OG1-N 3.46Å; T493-G507 CarbonylContact O-C 3.53Å; T493-I508 PolarHBondContact O-N 3.05Å |
| 494 | E | 90.2 | Very high | 88.2 | Confident | 66 Ų | 66 | 38.3 Ų | 38.3 | 31% | 0.308 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 153.5 | -178.2 | 56.6 | 166.8 | -176.8 | 0 | 0 | 113.4 | T491 H505 Y506 | T491-E494 HydrophobicContact CG2-CG 3.97Å; T491-E494 PolarHBondContact N-O 2.99Å; T491-E494 WeakPolarHBondContact OG1-CG 3.19Å; T491-E494 PolarHBondContact OG1-N 2.79Å; T491-E494 PolarHBondContact OG1-O 3.45Å; E494-H505 IonicContact OE2-CE1 3.81Å; E494-H505 IonicContact OE2-CG 3.96Å; E494-H505 IonicContact OE2-ND1 3.94Å; E494-H505 PolarHBondContact OE2-ND1 3.24Å; E494-Y506 CarbonylContact C-O 3.54Å; E494-Y506 VanDerWaalsContact CA-O 3.26Å; E494-Y506 WeakPolarHBondContact CA-O 3.22Å |
| 495 | V | 91.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130 | 170.2 | 157.5 | 0 | 0 | 0 | 0 | 108.6 | F487 R490 V497 Y506 I508 | F487-V495 HydrophobicContact CD2-CG1 3.73Å; F487-V495 HydrophobicContact CE2-CB 4.32Å; F487-V495 HydrophobicContact CE2-CG1 3.59Å; F487-V495 HydrophobicContact CE2-CG2 4Å; R490-V495 HydrophobicContact CB-CG2 4.36Å; R490-V495 HydrophobicContact CG-CG2 4.25Å; V495-V497 HydrophobicContact CG1-CG2 3.8Å; V495-Y506 PolarHBondContact N-O 3.08Å; V495-Y506 PolarHBondContact O-N 3.1Å; V495-I508 HydrophobicContact CB-CD1 4.29Å; V495-I508 HydrophobicContact CG2-CD1 3.45Å; V495-I508 VanDerWaalsContact CG2-CD1 3.45Å; V495-I508 HydrophobicContact CG2-CG1 4.23Å |
| 496 | V | 92 | Very high | 88.7 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.3 | 177.8 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | T488 T489 E503 K504 | T488-V496 PolarHBondContact N-O 2.79Å; T488-V496 PolarHBondContact OG1-O 3.3Å; T489-V496 PolarHBondContact O-N 3.43Å; V496-E503 HydrophobicContact CG1-CB 4.19Å; V496-E503 HydrophobicContact CG1-CG 4.49Å; V496-K504 WeakPolarHBondContact CA-O 3.48Å |
| 497 | V | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126 | 177 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | A423 V424 V486 V495 I499 K504 Y506 | A423-V497 HydrophobicContact CB-CG1 3.94Å; A423-V497 HydrophobicContact CB-CG2 4.34Å; V424-V497 HydrophobicContact CG2-CG2 3.98Å; V486-V497 CarbonylContact O-C 3.58Å; V486-V497 WeakPolarHBondContact O-CA 3.24Å; V495-V497 HydrophobicContact CG1-CG2 3.8Å; V497-I499 HydrophobicContact CB-CG1 4.44Å; V497-I499 HydrophobicContact CG1-CD1 4.48Å; V497-I499 HydrophobicContact CG1-CG1 3.85Å; V497-I499 PolarHBondContact O-N 3.46Å; V497-K504 PolarHBondContact N-O 2.98Å; V497-K504 PolarHBondContact O-N 3.48Å; V497-Y506 HydrophobicContact CB-CE2 4.44Å; V497-Y506 HydrophobicContact CG2-CD2 4.32Å; V497-Y506 HydrophobicContact CG2-CE2 4.5Å |
| 498 | K | 90.7 | Very high | 88.8 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 15% | 0.152 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 105.4 | 173.4 | -173.5 | 175.4 | 177.6 | -179.2 | 0 | 108.9 | E461 V486 T488 G501 V502 E503 | E461-K498 IonicContact OE1-NZ 3.87Å; E461-K498 PolarHBondContact OE1-NZ 3.27Å; E461-K498 IonicContact OE2-NZ 2.96Å; E461-K498 PolarHBondContact OE2-NZ 3.01Å; V486-K498 HydrophobicContact CB-CB 4.34Å; V486-K498 PolarHBondContact N-O 3.38Å; V486-K498 PolarHBondContact O-N 2.88Å; T488-K498 HydrophobicContact CG2-CB 4.11Å; K498-G501 WeakPolarHBondContact CE-O 3.39Å; K498-V502 CarbonylContact C-O 3.58Å; K498-V502 WeakPolarHBondContact CA-O 3.4Å; K498-E503 HydrophobicContact CB-CG 4.33Å; K498-E503 HydrophobicContact CG-CG 4.34Å |
| 499 | I | 87.2 | Confident | 89 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115.9 | -179.6 | -55.7 | -175.1 | 0 | 0 | 0 | 107.8 | T420 Y485 V497 G501 V502 K504 | T420-I499 HydrophobicContact CG2-CD1 4.48Å; Y485-I499 HydrophobicContact CD1-CB 4.31Å; Y485-I499 HydrophobicContact CD1-CD1 3.89Å; Y485-I499 HydrophobicContact CD1-CG1 3.79Å; Y485-I499 HydrophobicContact CD1-CG2 3.81Å; Y485-I499 HydrophobicContact CE1-CB 4.43Å; Y485-I499 HydrophobicContact CE1-CD1 4.08Å; Y485-I499 HydrophobicContact CE1-CG1 4.24Å; Y485-I499 HydrophobicContact CE1-CG2 3.48Å; Y485-I499 VanDerWaalsContact CE1-CG2 3.48Å; V497-I499 HydrophobicContact CB-CG1 4.44Å; V497-I499 HydrophobicContact CG1-CD1 4.48Å; V497-I499 HydrophobicContact CG1-CG1 3.85Å; V497-I499 PolarHBondContact O-N 3.46Å; I499-G501 PolarHBondContact O-N 2.96Å; I499-G501 VanDerWaalsContact O-N 3.15Å; I499-V502 PolarHBondContact N-O 3.29Å; I499-V502 PolarHBondContact O-N 3.49Å; I499-K504 HydrophobicContact CD1-CD 3.86Å; I499-K504 HydrophobicContact CG1-CD 4.5Å |
| 500 | R | 79 | Confident | 89.1 | Confident | 128 Ų | 128 | 43.7 Ų | 43.7 | 48% | 0.483 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 37.6 | 179.8 | -55.6 | 178.7 | -172.4 | -154 | -4.9 | 113.3 | L408 G484 V502 | L408-R500 PolarHBondContact O-NH2 3.14Å; G484-R500 PolarHBondContact O-N 3.4Å; R500-V502 VanDerWaalsContact C-N 3.35Å; R500-V502 PolarHBondContact O-N 2.92Å |
| 501 | G | 79.8 | Confident | 89.1 | Confident | 52 Ų | 52 | 44.2 Ų | 44.2 | 54% | 0.536 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -14.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K498 I499 | K498-G501 WeakPolarHBondContact CE-O 3.39Å; I499-G501 PolarHBondContact O-N 2.96Å; I499-G501 VanDerWaalsContact O-N 3.15Å |
| 502 | V | 88.1 | Confident | 89.3 | Confident | 94 Ų | 94 | 43.8 Ų | 43.8 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.4 | -179.4 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | K498 I499 R500 K504 | K498-V502 CarbonylContact C-O 3.58Å; K498-V502 WeakPolarHBondContact CA-O 3.4Å; I499-V502 PolarHBondContact N-O 3.29Å; I499-V502 PolarHBondContact O-N 3.49Å; R500-V502 VanDerWaalsContact C-N 3.35Å; R500-V502 PolarHBondContact O-N 2.92Å; V502-K504 PolarHBondContact O-N 3.36Å |
| 503 | E | 89.8 | Confident | 89.4 | Confident | 110 Ų | 110 | 43.6 Ų | 43.6 | 51% | 0.514 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 125 | 174.3 | -65.8 | -170.6 | 160 | 0 | 0 | 110.7 | V496 K498 | V496-E503 HydrophobicContact CG1-CB 4.19Å; V496-E503 HydrophobicContact CG1-CG 4.49Å; K498-E503 HydrophobicContact CB-CG 4.33Å; K498-E503 HydrophobicContact CG-CG 4.34Å |
| 504 | K | 91.2 | Very high | 89.3 | Confident | 66 Ų | 66 | 39.6 Ų | 39.6 | 29% | 0.287 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133 | 173.9 | -63.9 | -165.5 | -167.9 | 171.8 | 0 | 109.7 | V496 V497 I499 V502 Y506 P528 | V496-K504 WeakPolarHBondContact CA-O 3.48Å; V497-K504 PolarHBondContact N-O 2.98Å; V497-K504 PolarHBondContact O-N 3.48Å; I499-K504 HydrophobicContact CD1-CD 3.86Å; I499-K504 HydrophobicContact CG1-CD 4.5Å; V502-K504 PolarHBondContact O-N 3.36Å; K504-Y506 HydrophobicContact CB-CD2 4.46Å; K504-Y506 HydrophobicContact CB-CE2 3.84Å; K504-P528 HydrophobicContact CB-CG 3.99Å; K504-P528 HydrophobicContact CD-CG 4.36Å |
| 505 | H | 92.1 | Very high | 88.8 | Confident | 93 Ų | 93 | 38.7 Ų | 38.7 | 43% | 0.431 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120.4 | 179.2 | -68.3 | -108.5 | 0 | 0 | 0 | 110.4 | E494 P528 | E494-H505 IonicContact OE2-CE1 3.81Å; E494-H505 IonicContact OE2-CG 3.96Å; E494-H505 IonicContact OE2-ND1 3.94Å; E494-H505 PolarHBondContact OE2-ND1 3.24Å; H505-P528 WeakPolarHBondContact O-CG 3.33Å |
| 506 | Y | 93 | Very high | 88 | Confident | 12 Ų | 12 | 41.3 Ų | 41.3 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.7 | 176.7 | -71.9 | -86.3 | 0 | 0 | 0 | 109.7 | T420 V424 E494 V495 V497 K504 V525 E527 P528 | T420-Y506 HydrophobicContact CG2-CE1 4.26Å; T420-Y506 HydrophobicContact CG2-CE2 4.4Å; T420-Y506 WeakPolarHBondContact CG2-OH 3.38Å; V424-Y506 HydrophobicContact CG1-CG 4.49Å; V424-Y506 HydrophobicContact CG2-CD1 4.37Å; V424-Y506 HydrophobicContact CG2-CD2 3.85Å; V424-Y506 HydrophobicContact CG2-CE2 4.07Å; V424-Y506 HydrophobicContact CG2-CG 4.01Å; E494-Y506 CarbonylContact C-O 3.54Å; E494-Y506 VanDerWaalsContact CA-O 3.26Å; E494-Y506 WeakPolarHBondContact CA-O 3.22Å; V495-Y506 PolarHBondContact N-O 3.08Å; V495-Y506 PolarHBondContact O-N 3.1Å; V497-Y506 HydrophobicContact CB-CE2 4.44Å; V497-Y506 HydrophobicContact CG2-CD2 4.32Å; V497-Y506 HydrophobicContact CG2-CE2 4.5Å; K504-Y506 HydrophobicContact CB-CD2 4.46Å; K504-Y506 HydrophobicContact CB-CE2 3.84Å; Y506-V525 HydrophobicContact CD1-CG1 3.83Å; Y506-V525 HydrophobicContact CG-CG1 4.23Å; Y506-E527 HydrophobicContact CE1-CG 4.23Å; Y506-P528 HydrophobicContact CE1-CG 4.31Å |
| 507 | G | 92.8 | Very high | 87.3 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 22% | 0.216 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 117.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T493 L509 V525 R526 | T493-G507 CarbonylContact O-C 3.53Å; G507-L509 PolarHBondContact O-N 3.05Å; G507-V525 CarbonylContact O-C 3.56Å; G507-V525 WeakPolarHBondContact O-CA 3.5Å; G507-V525 WeakPolarHBondContact O-CG1 3.37Å; G507-R526 PolarHBondContact N-O 3.1Å; G507-R526 PolarHBondContact O-N 3.3Å |
| 508 | I | 91.7 | Very high | 87 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 106.1 | 176.5 | -61.8 | -178.8 | 0 | 0 | 0 | 109.3 | T493 V495 V511 V523 I1136 R1137 | T493-I508 PolarHBondContact O-N 3.05Å; V495-I508 HydrophobicContact CB-CD1 4.29Å; V495-I508 HydrophobicContact CG2-CD1 3.45Å; V495-I508 VanDerWaalsContact CG2-CD1 3.45Å; V495-I508 HydrophobicContact CG2-CG1 4.23Å; I508-V511 HydrophobicContact CG2-CG2 3.7Å; I508-V523 HydrophobicContact CG2-CG1 4.19Å; I508-I1136 HydrophobicContact CD1-CG2 4.06Å; I508-R1137 PolarHBondContact O-NH1 3.41Å; I508-R1137 PolarHBondContact O-NH2 3.21Å |
| 509 | L | 91.8 | Very high | 86.9 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -54.3 | -178.9 | -62.4 | -179.3 | 0 | 0 | 0 | 111.7 | G507 V524 R526 I532 Y584 R1137 | G507-L509 PolarHBondContact O-N 3.05Å; L509-V524 HydrophobicContact CB-CB 4.37Å; L509-V524 HydrophobicContact CB-CG1 4.38Å; L509-V524 WeakPolarHBondContact CB-O 3.37Å; L509-V524 HydrophobicContact CD1-CG1 4.35Å; L509-V524 PolarHBondContact N-O 3.25Å; L509-R526 HydrophobicContact CD1-CB 4.2Å; L509-R526 HydrophobicContact CD2-CB 4.41Å; L509-R526 HydrophobicContact CG-CB 4.27Å; L509-I532 HydrophobicContact CD1-CD1 4.3Å; L509-I532 HydrophobicContact CD1-CG1 4.3Å; L509-I532 HydrophobicContact CD1-CG2 4.1Å; L509-Y584 WeakPolarHBondContact CB-OH 3.38Å; L509-Y584 HydrophobicContact CD1-CE1 4.07Å; L509-Y584 HydrophobicContact CD1-CE2 4.18Å; L509-R1137 PolarHBondContact O-NH2 2.79Å |
| 510 | H | 90.9 | Very high | 87.1 | Confident | 39 Ų | 39 | 51 Ų | 51 | 18% | 0.181 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 145.4 | 175.8 | -71.7 | -84.4 | 0 | 0 | 0 | 110.8 | V524 Y584 W587 F591 | H510-V524 HydrophobicContact CB-CB 4.28Å; H510-V524 HydrophobicContact CB-CG2 4.09Å; H510-V524 PolarHBondContact N-O 3.1Å; H510-V524 PolarHBondContact O-N 2.92Å; H510-Y584 AromaticContact CD2-CZ 4Å; H510-Y584 PolarHBondContact CD2-OH 2.64Å; H510-Y584 PolarHBondContact NE2-OH 3.04Å; H510-W587 HydrophobicContact CB-CH2 4.17Å; H510-W587 HydrophobicContact CB-CZ3 4.14Å; H510-W587 AromaticContact CD2-CZ3 3.68Å; H510-W587 AromaticContact CG-CZ3 3.81Å; H510-F591 AromaticContact CE1-CD1 3.93Å; H510-F591 AromaticContact ND1-CD1 3.83Å; H510-F591 AromaticContact ND1-CE1 3.71Å |
| 511 | V | 89.4 | Confident | 87.7 | Confident | 12 Ų | 12 | 45 Ų | 45 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.9 | 172.4 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | I508 M521 V523 I1136 | I508-V511 HydrophobicContact CG2-CG2 3.7Å; V511-M521 HydrophobicContact CG1-CE 3.81Å; V511-V523 HydrophobicContact CG2-CG1 4.5Å; V511-I1136 HydrophobicContact CB-CD1 4.29Å; V511-I1136 HydrophobicContact CG1-CD1 3.82Å; V511-I1136 HydrophobicContact CG2-CD1 3.66Å; V511-I1136 HydrophobicContact CG2-CG2 4.35Å |
| 512 | L | 90.8 | Very high | 88.3 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 105.9 | 173.5 | -54.8 | 176.3 | 0 | 0 | 0 | 107.1 | R518 G522 W587 F591 A609 I612 E613 | L512-R518 PolarHBondContact O-NH1 2.98Å; L512-G522 WeakPolarHBondContact CA-O 3.48Å; L512-G522 WeakPolarHBondContact CB-O 3.37Å; L512-G522 PolarHBondContact N-O 3.13Å; L512-G522 PolarHBondContact O-N 2.96Å; L512-G522 VanDerWaalsContact O-N 3.13Å; L512-W587 HydrophobicContact CD2-CH2 4Å; L512-W587 HydrophobicContact CD2-CZ2 4Å; L512-F591 HydrophobicContact CD2-CE2 3.92Å; L512-A609 HydrophobicContact CD1-CB 4.15Å; L512-A609 HydrophobicContact CD2-CB 4Å; L512-I612 HydrophobicContact CD1-CG2 3.89Å; L512-E613 HydrophobicContact CD1-CG 4.12Å |
| 513 | D | 86.7 | Confident | 88.5 | Confident | 38 Ų | 38 | 38.1 Ų | 38.1 | 20% | 0.203 | 19% | 0.191 | C | C | . | . | trans | -65.3 | 145.4 | -170.4 | -62.5 | -14.3 | 0 | 0 | 0 | 112.8 | R518 S1131 Q1132 S1133 | D513-R518 PolarHBondContact O-NH1 3.35Å; D513-S1131 WeakPolarHBondContact OD2-CB 3.38Å; D513-Q1132 HydrophobicContact CB-CB 4.25Å; D513-Q1132 WeakPolarHBondContact OD1-CB 3.35Å; D513-S1133 VanDerWaalsContact OD1-CB 3.3Å; D513-S1133 WeakPolarHBondContact OD1-CB 3.43Å; D513-S1133 PolarHBondContact OD1-N 2.84Å; D513-S1133 PolarHBondContact OD1-OG 2.87Å; D513-S1133 WeakPolarHBondContact OD2-CB 3.22Å; D513-S1133 PolarHBondContact OD2-N 2.85Å; D513-S1133 PolarHBondContact OD2-OG 2.94Å | ||
| 514 | F | 85.5 | Confident | 88.7 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | trans | -71.3 | 135.4 | 172.9 | 176.6 | -85.4 | 0 | 0 | 0 | 111.3 | M521 Y1120 F1122 Q1124 Q1132 | F514-M521 HydrophobicContact CB-CB 4.2Å; F514-Y1120 VanDerWaalsContact CE2-OH 3.24Å; F514-Y1120 WeakPolarHBondContact CE2-OH 3.21Å; F514-F1122 HydrophobicContact CD1-CD1 4.19Å; F514-F1122 HydrophobicContact CD1-CE1 4.43Å; F514-F1122 AromaticContact CD2-CD1 3.69Å; F514-F1122 HydrophobicContact CD2-CD1 3.69Å; F514-F1122 AromaticContact CD2-CE1 3.94Å; F514-F1122 HydrophobicContact CD2-CE1 3.94Å; F514-F1122 HydrophobicContact CE1-CD1 4.01Å; F514-F1122 HydrophobicContact CE2-CB 4.29Å; F514-F1122 AromaticContact CE2-CD1 3.47Å; F514-F1122 HydrophobicContact CE2-CD1 3.47Å; F514-F1122 VanDerWaalsContact CE2-CD1 3.47Å; F514-F1122 HydrophobicContact CE2-CE1 4.2Å; F514-F1122 HydrophobicContact CE2-CG 4.22Å; F514-F1122 HydrophobicContact CG-CD1 4.05Å; F514-F1122 HydrophobicContact CG-CE1 4.06Å; F514-F1122 HydrophobicContact CZ-CB 4.23Å; F514-F1122 AromaticContact CZ-CD1 3.65Å; F514-F1122 HydrophobicContact CZ-CD1 3.65Å; F514-F1122 HydrophobicContact CZ-CG 4.4Å; F514-Q1124 HydrophobicContact CB-CG 4.37Å; F514-Q1124 HydrophobicContact CD1-CB 3.63Å; F514-Q1124 HydrophobicContact CD1-CG 3.81Å; F514-Q1124 HydrophobicContact CE1-CB 3.92Å; F514-Q1124 HydrophobicContact CG-CB 4.36Å; F514-Q1124 HydrophobicContact CG-CG 4.34Å; F514-Q1132 PolarHBondContact O-NE2 3.26Å | ||
| 515 | T | 80.2 | Confident | 88.8 | Confident | 47 Ų | 47 | 29.8 Ų | 29.8 | 29% | 0.288 | 15% | 0.153 | S | C | . | . | trans | -136.5 | 156 | 170.7 | 68.9 | 0 | 0 | 0 | 0 | 110.4 | F517 R518 K519 | T515-F517 PolarHBondContact O-N 3.04Å; T515-R518 PolarHBondContact O-N 3.01Å; T515-R518 VanDerWaalsContact O-N 3.14Å; T515-R518 WeakPolarHBondContact OG1-CB 3.36Å; T515-R518 PolarHBondContact OG1-N 2.9Å; T515-R518 VanDerWaalsContact OG1-N 3.08Å; T515-K519 PolarHBondContact O-N 3.4Å | ||
| 516 | S | 73.6 | Confident | 88.9 | Confident | 55 Ų | 55 | 31.6 Ų | 31.6 | 39% | 0.385 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -34.9 | 177.8 | 44.4 | 0 | 0 | 0 | 0 | 111.6 | K519 E1126 | S516-K519 WeakPolarHBondContact O-CG 3.34Å; S516-E1126 WeakPolarHBondContact CA-OE1 3.31Å; S516-E1126 WeakPolarHBondContact CA-OE2 3.34Å; S516-E1126 WeakPolarHBondContact CB-OE1 3.25Å; S516-E1126 WeakPolarHBondContact CB-OE2 3.45Å; S516-E1126 PolarHBondContact N-OE1 2.85Å; S516-E1126 VanDerWaalsContact N-OE1 3.08Å; S516-E1126 PolarHBondContact N-OE2 2.92Å; S516-E1126 PolarHBondContact OG-OE2 3.38Å |
| 517 | F | 77.9 | Confident | 88.8 | Confident | 175 Ų | 175 | 33.1 Ų | 33.1 | 77% | 0.768 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -43.2 | 177.7 | -175.4 | -100.1 | 0 | 0 | 0 | 110.9 | T515 | T515-F517 PolarHBondContact O-N 3.04Š|
| 518 | R | 85.9 | Confident | 88.6 | Confident | 5 Ų | 5 | 35.6 Ų | 35.6 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -32.7 | -176.8 | -166.4 | -178.3 | 161.8 | -144.1 | -3.9 | 113 | L512 D513 T515 R520 V542 E606 E613 | L512-R518 PolarHBondContact O-NH1 2.98Å; D513-R518 PolarHBondContact O-NH1 3.35Å; T515-R518 PolarHBondContact O-N 3.01Å; T515-R518 VanDerWaalsContact O-N 3.14Å; T515-R518 WeakPolarHBondContact OG1-CB 3.36Å; T515-R518 PolarHBondContact OG1-N 2.9Å; T515-R518 VanDerWaalsContact OG1-N 3.08Å; R518-R520 HydrophobicContact CG-CG 3.72Å; R518-R520 PolarHBondContact NH1-O 2.88Å; R518-R520 PolarHBondContact O-N 3.12Å; R518-R520 VanDerWaalsContact O-N 3.1Å; R518-R520 PolarHBondContact O-NH1 2.84Å; R518-R520 VanDerWaalsContact O-NH1 3.08Å; R518-V542 WeakPolarHBondContact O-CG1 3.48Å; R518-E606 VanDerWaalsContact CD-OE2 3.27Å; R518-E606 WeakPolarHBondContact CD-OE2 3.4Å; R518-E613 IonicContact CZ-OE1 3.24Å; R518-E613 IonicContact CZ-OE2 2.72Å; R518-E613 IonicContact NE-OE1 3.56Å; R518-E613 IonicContact NE-OE2 3.37Å; R518-E613 PolarHBondContact NE-OE2 2.79Å; R518-E613 IonicContact NH2-OE1 3.68Å; R518-E613 PolarHBondContact NH2-OE1 3.14Å; R518-E613 IonicContact NH2-OE2 2.7Å; R518-E613 PolarHBondContact NH2-OE2 3.44Å; R518-E613 VanDerWaalsContact NH2-OE2 3.07Å |
| 519 | K | 87.2 | Confident | 88.4 | Confident | 68 Ų | 68 | 39.9 Ų | 39.9 | 30% | 0.296 | 20% | 0.199 | S | C | . | . | trans | 50 | 26.4 | -176.2 | -53.7 | -172.8 | 173.8 | -168.9 | 0 | 115.3 | T515 S516 G538 A539 V542 Y1120 | T515-K519 PolarHBondContact O-N 3.4Å; S516-K519 WeakPolarHBondContact O-CG 3.34Å; K519-G538 WeakPolarHBondContact O-CA 3.28Å; K519-A539 HydrophobicContact CB-CB 4.02Å; K519-A539 HydrophobicContact CD-CB 4.45Å; K519-A539 PolarHBondContact O-N 3.21Å; K519-V542 HydrophobicContact CB-CG2 3.98Å; K519-V542 HydrophobicContact CD-CG2 4.41Å; K519-Y1120 HydrophobicContact CB-CE1 4.12Å; K519-Y1120 HydrophobicContact CD-CE1 4.1Å; K519-Y1120 HydrophobicContact CG-CE1 4.34Å; K519-Y1120 PolarHBondContact O-OH 2.82Å | ||
| 520 | R | 91.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 154.7 | 175.9 | 61.1 | -177.3 | -174.6 | -66.8 | -9.7 | 110.8 | R518 V536 K537 V542 I543 E606 E613 | R518-R520 HydrophobicContact CG-CG 3.72Å; R518-R520 PolarHBondContact NH1-O 2.88Å; R518-R520 PolarHBondContact O-N 3.12Å; R518-R520 VanDerWaalsContact O-N 3.1Å; R518-R520 PolarHBondContact O-NH1 2.84Å; R518-R520 VanDerWaalsContact O-NH1 3.08Å; R520-V536 HydrophobicContact CB-CG1 4.19Å; R520-K537 CarbonylContact C-O 3.53Å; R520-K537 VanDerWaalsContact CA-O 3.26Å; R520-K537 WeakPolarHBondContact CA-O 3.27Å; R520-K537 WeakPolarHBondContact CB-O 3.47Å; R520-V542 HydrophobicContact CG-CG1 4.2Å; R520-V542 VanDerWaalsContact NH1-CG1 3.3Å; R520-I543 HydrophobicContact CB-CD1 4.2Å; R520-E606 IonicContact CZ-OE1 2.6Å; R520-E606 IonicContact NH1-OE1 2.67Å; R520-E606 IonicContact NH2-OE1 3.94Å; R520-E606 PolarHBondContact NH2-OE1 3.37Å; R520-E613 IonicContact CZ-OE2 3.56Å; R520-E613 VanDerWaalsContact NE-CD 3.33Å; R520-E613 IonicContact NE-OE1 3.82Å; R520-E613 PolarHBondContact NE-OE1 2.96Å; R520-E613 IonicContact NE-OE2 2.65Å; R520-E613 PolarHBondContact NE-OE2 2.81Å; R520-E613 IonicContact NH2-OE2 3.81Å; R520-E613 PolarHBondContact NH2-OE2 3.45Å |
| 521 | M | 91.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.5 | 171.3 | -171.2 | -166.9 | -172.8 | 0 | 0 | 108.2 | T427 V511 F514 V523 V536 K537 I1136 | T427-M521 HydrophobicContact CG2-CE 3.46Å; T427-M521 VanDerWaalsContact CG2-CE 3.46Å; T427-M521 HydrophobicContact CG2-SD 4.39Å; V511-M521 HydrophobicContact CG1-CE 3.81Å; F514-M521 HydrophobicContact CB-CB 4.2Å; M521-V523 HydrophobicContact CE-CG2 4.34Å; M521-V536 WeakPolarHBondContact O-CA 3.31Å; M521-V536 WeakPolarHBondContact O-CG1 3.39Å; M521-K537 HydrophobicContact CB-CG 4.14Å; M521-K537 PolarHBondContact N-O 2.93Å; M521-K537 PolarHBondContact O-N 2.85Å; M521-K537 VanDerWaalsContact SD-CE 3.56Å; M521-I1136 HydrophobicContact CE-CD1 4.45Å |
| 522 | G | 92.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L512 M535 | L512-G522 WeakPolarHBondContact CA-O 3.48Å; L512-G522 WeakPolarHBondContact CB-O 3.37Å; L512-G522 PolarHBondContact N-O 3.13Å; L512-G522 PolarHBondContact O-N 2.96Å; L512-G522 VanDerWaalsContact O-N 3.13Å; G522-M535 CarbonylContact C-O 3.32Å; G522-M535 WeakPolarHBondContact CA-O 3.27Å |
| 523 | V | 93.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.7 | 172.8 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | C425 I508 V511 M521 V525 M535 | C425-V523 HydrophobicContact CB-CG2 4.43Å; I508-V523 HydrophobicContact CG2-CG1 4.19Å; V511-V523 HydrophobicContact CG2-CG1 4.5Å; M521-V523 HydrophobicContact CE-CG2 4.34Å; V523-V525 HydrophobicContact CB-CG2 4.2Å; V523-V525 HydrophobicContact CG1-CG2 3.63Å; V523-M535 PolarHBondContact N-O 2.8Å; V523-M535 PolarHBondContact O-N 3.05Å |
| 524 | V | 94.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.4 | 172.2 | -166 | 0 | 0 | 0 | 0 | 108.1 | L509 H510 I532 V534 Y584 I612 | L509-V524 HydrophobicContact CB-CB 4.37Å; L509-V524 HydrophobicContact CB-CG1 4.38Å; L509-V524 WeakPolarHBondContact CB-O 3.37Å; L509-V524 HydrophobicContact CD1-CG1 4.35Å; L509-V524 PolarHBondContact N-O 3.25Å; H510-V524 HydrophobicContact CB-CB 4.28Å; H510-V524 HydrophobicContact CB-CG2 4.09Å; H510-V524 PolarHBondContact N-O 3.1Å; H510-V524 PolarHBondContact O-N 2.92Å; V524-I532 HydrophobicContact CG1-CG2 3.79Å; V524-V534 HydrophobicContact CG1-CG2 4.19Å; V524-V534 HydrophobicContact CG2-CG2 4.21Å; V524-Y584 HydrophobicContact CG1-CD2 4.08Å; V524-Y584 HydrophobicContact CG1-CE2 3.74Å; V524-I612 HydrophobicContact CG1-CD1 4.46Å; V524-I612 HydrophobicContact CG2-CD1 3.99Å |
| 525 | V | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141 | -170.3 | -166.2 | 0 | 0 | 0 | 0 | 109.8 | V424 Y506 G507 V523 I532 S533 M535 | V424-V525 HydrophobicContact CG1-CG1 4.24Å; V424-V525 HydrophobicContact CG1-CG2 3.92Å; Y506-V525 HydrophobicContact CD1-CG1 3.83Å; Y506-V525 HydrophobicContact CG-CG1 4.23Å; G507-V525 CarbonylContact O-C 3.56Å; G507-V525 WeakPolarHBondContact O-CA 3.5Å; G507-V525 WeakPolarHBondContact O-CG1 3.37Å; V523-V525 HydrophobicContact CB-CG2 4.2Å; V523-V525 HydrophobicContact CG1-CG2 3.63Å; V525-I532 WeakPolarHBondContact O-CA 3.18Å; V525-S533 PolarHBondContact N-O 3.24Å; V525-S533 PolarHBondContact O-N 3.46Å; V525-M535 HydrophobicContact CG2-SD 4.07Å |
| 526 | R | 94 | Very high | 90 | Very high | 132 Ų | 132 | 40.6 Ų | 40.6 | 50% | 0.498 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 112.5 | 162.5 | -174.1 | 177.6 | -64 | 180 | 0.7 | 108.5 | G507 L509 R531 | G507-R526 PolarHBondContact N-O 3.1Å; G507-R526 PolarHBondContact O-N 3.3Å; L509-R526 HydrophobicContact CD1-CB 4.2Å; L509-R526 HydrophobicContact CD2-CB 4.41Å; L509-R526 HydrophobicContact CG-CB 4.27Å; R526-R531 WeakPolarHBondContact CA-O 3.35Å |
| 527 | E | 90.8 | Very high | 90.9 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 21% | 0.206 | 19% | 0.187 | C | C | . | . | trans | -68.2 | 159.9 | 177.3 | -72.1 | -174.1 | -170.9 | 0 | 0 | 111.9 | Y506 N529 G530 R531 S533 | Y506-E527 HydrophobicContact CE1-CG 4.23Å; E527-N529 WeakPolarHBondContact CB-OD1 3.31Å; E527-N529 PolarHBondContact O-N 3.07Å; E527-N529 VanDerWaalsContact O-N 3.1Å; E527-N529 PolarHBondContact OE2-ND2 2.9Å; E527-N529 PolarHBondContact OE2-OD1 3.27Å; E527-G530 PolarHBondContact O-N 2.72Å; E527-R531 PolarHBondContact N-O 3.39Å; E527-S533 WeakPolarHBondContact OE1-CB 3.36Å; E527-S533 PolarHBondContact OE1-OG 2.7Å | ||
| 528 | P | 87.3 | Confident | 91.5 | Very high | 73 Ų | 73 | 30.2 Ų | 30.2 | 47% | 0.474 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25.6 | 176.1 | -22.7 | 28.6 | 0 | 0 | 0 | 114.4 | K504 H505 Y506 G530 | K504-P528 HydrophobicContact CB-CG 3.99Å; K504-P528 HydrophobicContact CD-CG 4.36Å; H505-P528 WeakPolarHBondContact O-CG 3.33Å; Y506-P528 HydrophobicContact CE1-CG 4.31Å; P528-G530 VanDerWaalsContact C-N 3.26Å; P528-G530 PolarHBondContact O-N 3.41Å |
| 529 | N | 87.5 | Confident | 91.7 | Very high | 95 Ų | 95 | 30 Ų | 30 | 51% | 0.508 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -2 | 177.1 | 61.4 | 17.8 | 0 | 0 | 0 | 113.3 | E527 R531 | E527-N529 WeakPolarHBondContact CB-OD1 3.31Å; E527-N529 PolarHBondContact O-N 3.07Å; E527-N529 VanDerWaalsContact O-N 3.1Å; E527-N529 PolarHBondContact OE2-ND2 2.9Å; E527-N529 PolarHBondContact OE2-OD1 3.27Å; N529-R531 VanDerWaalsContact OD1-CB 3.27Å; N529-R531 WeakPolarHBondContact OD1-CB 3.31Å; N529-R531 WeakPolarHBondContact OD1-CG 3.28Å; N529-R531 PolarHBondContact OD1-N 3.01Å |
| 530 | G | 87 | Confident | 91.7 | Very high | 48 Ų | 48 | 27 Ų | 27 | 50% | 0.495 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 88.4 | -4.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E527 P528 | E527-G530 PolarHBondContact O-N 2.72Å; P528-G530 VanDerWaalsContact C-N 3.26Å; P528-G530 PolarHBondContact O-N 3.41Å |
| 531 | R | 92 | Very high | 91.5 | Very high | 132 Ų | 132 | 29.8 Ų | 29.8 | 50% | 0.498 | 16% | 0.155 | S | C | . | . | trans | -72.8 | 151.6 | 176.9 | -62.2 | 178.9 | -174.7 | -160.5 | 6.2 | 111.1 | R526 E527 N529 E578 | R526-R531 WeakPolarHBondContact CA-O 3.35Å; E527-R531 PolarHBondContact N-O 3.39Å; N529-R531 VanDerWaalsContact OD1-CB 3.27Å; N529-R531 WeakPolarHBondContact OD1-CB 3.31Å; N529-R531 WeakPolarHBondContact OD1-CG 3.28Å; N529-R531 PolarHBondContact OD1-N 3.01Å; R531-E578 WeakPolarHBondContact CD-OE1 3.45Å; R531-E578 IonicContact NE-OE1 2.62Å; R531-E578 IonicContact NH1-OE1 3.29Å; R531-E578 IonicContact NH1-OE2 2.63Å; R531-E578 PolarHBondContact NH1-OE2 3.23Å | ||
| 532 | I | 93.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 6% | 0.056 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 118.7 | 174.9 | -58.1 | 178.2 | 0 | 0 | 0 | 107.6 | L509 V524 V525 V579 Y584 | L509-I532 HydrophobicContact CD1-CD1 4.3Å; L509-I532 HydrophobicContact CD1-CG1 4.3Å; L509-I532 HydrophobicContact CD1-CG2 4.1Å; V524-I532 HydrophobicContact CG1-CG2 3.79Å; V525-I532 WeakPolarHBondContact O-CA 3.18Å; I532-V579 HydrophobicContact CG2-CB 4.27Å; I532-V579 PolarHBondContact O-N 3.12Å; I532-Y584 HydrophobicContact CD1-CD1 3.69Å; I532-Y584 HydrophobicContact CD1-CE1 4.3Å; I532-Y584 HydrophobicContact CD1-CG 3.9Å; I532-Y584 HydrophobicContact CG2-CD2 4.25Å; I532-Y584 HydrophobicContact CG2-CG 4.39Å |
| 533 | S | 93.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 140.7 | -179.8 | 61.6 | 0 | 0 | 0 | 0 | 109.9 | V525 E527 T577 | V525-S533 PolarHBondContact N-O 3.24Å; V525-S533 PolarHBondContact O-N 3.46Å; E527-S533 WeakPolarHBondContact OE1-CB 3.36Å; E527-S533 PolarHBondContact OE1-OG 2.7Å; S533-T577 CarbonylContact C-O 3.58Å; S533-T577 WeakPolarHBondContact CA-O 3.2Å |
| 534 | V | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.8 | 169.4 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | V524 V536 W576 T577 V579 I612 | V524-V534 HydrophobicContact CG1-CG2 4.19Å; V524-V534 HydrophobicContact CG2-CG2 4.21Å; V534-V536 HydrophobicContact CG1-CG2 3.8Å; V534-W576 CarbonylContact O-C 3.59Å; V534-W576 WeakPolarHBondContact O-CA 3.43Å; V534-T577 HydrophobicContact CB-CG2 3.98Å; V534-T577 HydrophobicContact CG2-CG2 4.48Å; V534-T577 PolarHBondContact N-O 2.91Å; V534-T577 PolarHBondContact O-N 3.07Å; V534-V579 HydrophobicContact CB-CG2 4.36Å; V534-V579 HydrophobicContact CG2-CG2 3.36Å; V534-I612 HydrophobicContact CG2-CD1 3.91Å; V534-I612 HydrophobicContact CG2-CG1 3.7Å |
| 535 | M | 94.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 3% | 0.034 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.8 | 177.9 | -60 | 174.3 | 178.3 | 0 | 0 | 108.3 | I421 V424 C425 G522 V523 V525 | I421-M535 HydrophobicContact CB-SD 4.47Å; I421-M535 HydrophobicContact CG1-CB 4.33Å; I421-M535 HydrophobicContact CG1-CE 4.3Å; I421-M535 HydrophobicContact CG1-CG 3.91Å; I421-M535 HydrophobicContact CG1-SD 3.87Å; I421-M535 HydrophobicContact CG2-CB 4.09Å; V424-M535 HydrophobicContact CB-SD 4.11Å; V424-M535 HydrophobicContact CG1-SD 3.96Å; C425-M535 HydrophobicContact CB-CB 4.15Å; G522-M535 CarbonylContact C-O 3.32Å; G522-M535 WeakPolarHBondContact CA-O 3.27Å; V523-M535 PolarHBondContact N-O 2.8Å; V523-M535 PolarHBondContact O-N 3.05Å; V525-M535 HydrophobicContact CG2-SD 4.07Å |
| 536 | V | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.5 | -174.8 | -169.3 | 0 | 0 | 0 | 0 | 110.4 | R520 M521 V534 I543 A575 E613 L616 | R520-V536 HydrophobicContact CB-CG1 4.19Å; M521-V536 WeakPolarHBondContact O-CA 3.31Å; M521-V536 WeakPolarHBondContact O-CG1 3.39Å; V534-V536 HydrophobicContact CG1-CG2 3.8Å; V536-I543 HydrophobicContact CB-CD1 4.36Å; V536-I543 HydrophobicContact CG1-CD1 3.52Å; V536-A575 PolarHBondContact N-O 3.06Å; V536-A575 PolarHBondContact O-N 3.21Å; V536-E613 HydrophobicContact CG2-CG 4.38Å; V536-L616 HydrophobicContact CB-CD1 4.21Å; V536-L616 HydrophobicContact CG1-CD1 4.42Å; V536-L616 HydrophobicContact CG2-CD1 4.03Å; V536-L616 HydrophobicContact CG2-CD2 3.91Å |
| 537 | K | 93.4 | Very high | 90.9 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.9 | 169.4 | 66.3 | -176 | -176.8 | -172.4 | 0 | 110.3 | C425 E473 R520 M521 C573 | C425-K537 VanDerWaalsContact O-CE 3.32Å; C425-K537 WeakPolarHBondContact O-CE 3.24Å; C425-K537 PolarHBondContact O-NZ 3.34Å; E473-K537 IonicContact OE1-NZ 3.94Å; E473-K537 PolarHBondContact OE1-NZ 3.2Å; R520-K537 CarbonylContact C-O 3.53Å; R520-K537 VanDerWaalsContact CA-O 3.26Å; R520-K537 WeakPolarHBondContact CA-O 3.27Å; R520-K537 WeakPolarHBondContact CB-O 3.47Å; M521-K537 HydrophobicContact CB-CG 4.14Å; M521-K537 PolarHBondContact N-O 2.93Å; M521-K537 PolarHBondContact O-N 2.85Å; M521-K537 VanDerWaalsContact SD-CE 3.56Å; K537-C573 WeakPolarHBondContact CA-O 3.29Å |
| 538 | G | 91.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | -167.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K519 C573 | K519-G538 WeakPolarHBondContact O-CA 3.28Å; G538-C573 PolarHBondContact N-O 2.85Å; G538-C573 PolarHBondContact O-N 3.5Å |
| 539 | A | 89.2 | Confident | 90.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -65 | 143.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K519 T541 V542 I543 Y1120 | K519-A539 HydrophobicContact CB-CB 4.02Å; K519-A539 HydrophobicContact CD-CB 4.45Å; K519-A539 PolarHBondContact O-N 3.21Å; A539-T541 PolarHBondContact O-N 2.86Å; A539-V542 HydrophobicContact CB-CB 4.37Å; A539-V542 HydrophobicContact CB-CG2 4.24Å; A539-V542 PolarHBondContact O-N 3.09Å; A539-I543 WeakPolarHBondContact O-CB 3.44Å; A539-I543 WeakPolarHBondContact O-CG1 3.16Å; A539-I543 PolarHBondContact O-N 3.41Å; A539-Y1120 HydrophobicContact CB-CD1 3.66Å; A539-Y1120 HydrophobicContact CB-CD2 3.46Å; A539-Y1120 VanDerWaalsContact CB-CD2 3.46Å; A539-Y1120 HydrophobicContact CB-CE1 3.75Å; A539-Y1120 HydrophobicContact CB-CE2 3.53Å; A539-Y1120 HydrophobicContact CB-CG 3.49Å; A539-Y1120 VanDerWaalsContact CB-CG 3.49Å | ||
| 540 | D | 86.9 | Confident | 90.2 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.2 | -50 | 171.6 | 65.5 | -50.8 | 0 | 0 | 0 | 111.5 | V542 I543 F544 L561 H1118 | D540-V542 PolarHBondContact O-N 3.48Å; D540-I543 PolarHBondContact O-N 3.44Å; D540-F544 HydrophobicContact CB-CD2 4.08Å; D540-F544 HydrophobicContact CB-CE2 4.06Å; D540-F544 VanDerWaalsContact O-CB 3.26Å; D540-F544 WeakPolarHBondContact O-CB 3.25Å; D540-F544 WeakPolarHBondContact O-CD2 3.29Å; D540-F544 PolarHBondContact O-N 3.38Å; D540-L561 HydrophobicContact CB-CD1 3.86Å; D540-H1118 WeakPolarHBondContact OD2-CB 3.36Å; D540-H1118 IonicContact OD2-CD2 3.43Å; D540-H1118 PolarHBondContact OD2-CD2 3.31Å; D540-H1118 IonicContact OD2-CG 3.63Å; D540-H1118 VanDerWaalsContact OD2-CG 3.29Å |
| 541 | T | 86.3 | Confident | 89.8 | Confident | 62 Ų | 62 | 36.2 Ų | 36.2 | 38% | 0.38 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.2 | -32.4 | 179.3 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | A539 E545 | A539-T541 PolarHBondContact O-N 2.86Å; T541-E545 WeakPolarHBondContact O-CG 3.32Å |
| 542 | V | 90.1 | Very high | 89.3 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 11% | 0.109 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -93.2 | -39 | -177.2 | 178.5 | 0 | 0 | 0 | 0 | 112.2 | R518 K519 R520 A539 D540 R546 | R518-V542 WeakPolarHBondContact O-CG1 3.48Å; K519-V542 HydrophobicContact CB-CG2 3.98Å; K519-V542 HydrophobicContact CD-CG2 4.41Å; R520-V542 HydrophobicContact CG-CG1 4.2Å; R520-V542 VanDerWaalsContact NH1-CG1 3.3Å; A539-V542 HydrophobicContact CB-CB 4.37Å; A539-V542 HydrophobicContact CB-CG2 4.24Å; A539-V542 PolarHBondContact O-N 3.09Å; D540-V542 PolarHBondContact O-N 3.48Å; V542-R546 VanDerWaalsContact CG1-NH1 3.26Å; V542-R546 PolarHBondContact O-NH1 3.03Å |
| 543 | I | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.7 | -42.2 | -179.5 | -64.7 | -65.3 | 0 | 0 | 0 | 110.1 | R520 V536 A539 D540 E545 R546 L547 C573 A575 L618 | R520-I543 HydrophobicContact CB-CD1 4.2Å; V536-I543 HydrophobicContact CB-CD1 4.36Å; V536-I543 HydrophobicContact CG1-CD1 3.52Å; A539-I543 WeakPolarHBondContact O-CB 3.44Å; A539-I543 WeakPolarHBondContact O-CG1 3.16Å; A539-I543 PolarHBondContact O-N 3.41Å; D540-I543 PolarHBondContact O-N 3.44Å; I543-E545 VanDerWaalsContact C-N 3.29Å; I543-E545 PolarHBondContact O-N 3.47Å; I543-R546 PolarHBondContact O-N 3.37Å; I543-L547 HydrophobicContact CG2-CD2 4.09Å; I543-L547 WeakPolarHBondContact O-CG 3.43Å; I543-L547 PolarHBondContact O-N 2.82Å; I543-C573 HydrophobicContact CB-CB 4.05Å; I543-C573 HydrophobicContact CG1-CB 4.14Å; I543-C573 HydrophobicContact CG2-CB 4.03Å; I543-A575 HydrophobicContact CG2-CB 3.87Å; I543-L618 HydrophobicContact CG2-CD1 4.44Å |
| 544 | F | 90.1 | Very high | 88.6 | Confident | 49 Ų | 49 | 40.2 Ų | 40.2 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -35 | -178.9 | -84.8 | -111.2 | 0 | 0 | 0 | 112.8 | D540 R546 L547 A554 M558 L561 L618 | D540-F544 HydrophobicContact CB-CD2 4.08Å; D540-F544 HydrophobicContact CB-CE2 4.06Å; D540-F544 VanDerWaalsContact O-CB 3.26Å; D540-F544 WeakPolarHBondContact O-CB 3.25Å; D540-F544 WeakPolarHBondContact O-CD2 3.29Å; D540-F544 PolarHBondContact O-N 3.38Å; F544-R546 PolarHBondContact O-N 2.94Å; F544-L547 HydrophobicContact CD1-CD1 4.2Å; F544-L547 HydrophobicContact CG-CD1 4.19Å; F544-L547 PolarHBondContact O-N 3.34Å; F544-A554 HydrophobicContact CE1-CB 4.21Å; F544-M558 HydrophobicContact CD1-CE 4.48Å; F544-M558 HydrophobicContact CE1-CB 4.3Å; F544-M558 HydrophobicContact CE1-CE 4.41Å; F544-M558 HydrophobicContact CE1-SD 4.09Å; F544-M558 HydrophobicContact CE2-SD 4.43Å; F544-M558 HydrophobicContact CZ-CB 4.3Å; F544-M558 HydrophobicContact CZ-SD 3.94Å; F544-L561 HydrophobicContact CE2-CD1 3.94Å; F544-L561 HydrophobicContact CZ-CD1 4.19Å; F544-L618 HydrophobicContact CZ-CD2 4.24Å |
| 545 | E | 91 | Very high | 88.2 | Confident | 147 Ų | 147 | 47.6 Ų | 47.6 | 69% | 0.687 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.3 | 174.5 | -71.1 | 176.4 | 170.7 | 0 | 0 | 113.7 | T541 I543 | T541-E545 WeakPolarHBondContact O-CG 3.32Å; I543-E545 VanDerWaalsContact C-N 3.29Å; I543-E545 PolarHBondContact O-N 3.47Å |
| 546 | R | 92.4 | Very high | 88 | Confident | 31 Ų | 31 | 49 Ų | 49 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 0.8 | -174.2 | -72.2 | 168.5 | -178.8 | 68.8 | 5.6 | 113.3 | V542 I543 F544 N610 E613 N615 L616 | V542-R546 VanDerWaalsContact CG1-NH1 3.26Å; V542-R546 PolarHBondContact O-NH1 3.03Å; I543-R546 PolarHBondContact O-N 3.37Å; F544-R546 PolarHBondContact O-N 2.94Å; R546-N610 PolarHBondContact NE-OD1 3.36Å; R546-N610 PolarHBondContact NH2-OD1 2.84Å; R546-E613 WeakPolarHBondContact CB-O 3.37Å; R546-N615 PolarHBondContact O-N 3.09Å; R546-N615 VanDerWaalsContact O-N 3.13Å; R546-L616 HydrophobicContact CB-CD1 4.07Å; R546-L616 PolarHBondContact O-N 2.82Å |
| 547 | L | 91.8 | Very high | 87.9 | Confident | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -68.7 | 143.6 | 177.3 | -65.3 | 178.6 | 0 | 0 | 0 | 110.8 | I543 F544 A575 L616 L618 | I543-L547 HydrophobicContact CG2-CD2 4.09Å; I543-L547 WeakPolarHBondContact O-CG 3.43Å; I543-L547 PolarHBondContact O-N 2.82Å; F544-L547 HydrophobicContact CD1-CD1 4.2Å; F544-L547 HydrophobicContact CG-CD1 4.19Å; F544-L547 PolarHBondContact O-N 3.34Å; L547-A575 HydrophobicContact CD2-CB 4.26Å; L547-L616 CarbonylContact C-O 3.46Å; L547-L616 VanDerWaalsContact CA-O 3.27Å; L547-L616 WeakPolarHBondContact CA-O 3.5Å; L547-L616 HydrophobicContact CD2-CB 4.2Å; L547-L616 WeakPolarHBondContact CD2-O 3.48Å; L547-L618 HydrophobicContact CD1-CB 3.98Å; L547-L618 HydrophobicContact CD1-CD2 4.28Å; L547-L618 HydrophobicContact CD2-CB 3.75Å; L547-L618 HydrophobicContact CD2-CD1 4.49Å |
| 548 | A | 88.9 | Confident | 87.7 | Confident | 10 Ų | 10 | 51 Ų | 51 | 8% | 0.083 | 28% | 0.28 | C | S | . | . | trans | -63.4 | 146.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T550 S551 N615 L616 | A548-T550 PolarHBondContact O-N 2.85Å; A548-S551 VanDerWaalsContact O-CB 3.24Å; A548-S551 WeakPolarHBondContact O-CB 3.36Å; A548-S551 PolarHBondContact O-N 3.24Å; A548-N615 HydrophobicContact CB-CB 4.14Å; A548-L616 PolarHBondContact N-O 2.83Å | ||
| 549 | S | 81.9 | Confident | 87.6 | Confident | 133 Ų | 133 | 55.3 Ų | 55.3 | 93% | 0.93 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.1 | 174 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 550 | T | 80.9 | Confident | 87.7 | Confident | 96 Ų | 96 | 56.9 Ų | 56.9 | 59% | 0.589 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -2.5 | 176 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | A548 L552 Q617 | A548-T550 PolarHBondContact O-N 2.85Å; T550-L552 PolarHBondContact O-N 2.83Å; T550-Q617 PolarHBondContact OG1-NE2 3.23Å |
| 551 | S | 77.2 | Confident | 87.8 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 14% | 0.14 | 31% | 0.309 | C | S | . | . | trans | -62.9 | 117.8 | -176.4 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | A548 L618 | A548-S551 VanDerWaalsContact O-CB 3.24Å; A548-S551 WeakPolarHBondContact O-CB 3.36Å; A548-S551 PolarHBondContact O-N 3.24Å; S551-L618 WeakPolarHBondContact OG-CB 3.46Å; S551-L618 PolarHBondContact OG-N 2.75Å; S551-L618 VanDerWaalsContact OG-N 3.09Å | ||
| 552 | L | 81.4 | Confident | 87.7 | Confident | 118 Ų | 118 | 56.5 Ų | 56.5 | 62% | 0.618 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 160.9 | 173.2 | -61.2 | 171.9 | 0 | 0 | 0 | 110.3 | T550 A554 | T550-L552 PolarHBondContact O-N 2.83Å; L552-A554 VanDerWaalsContact C-N 3.27Å; L552-A554 PolarHBondContact O-N 3.08Å; L552-A554 VanDerWaalsContact O-N 3.13Å |
| 553 | F | 86.4 | Confident | 87.5 | Confident | 79 Ų | 79 | 58.5 Ų | 58.5 | 35% | 0.346 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 8.1 | 170.7 | -38.5 | -64.9 | 0 | 0 | 0 | 118 | G385 L414 Q555 S556 T557 | G385-F553 WeakPolarHBondContact O-CD1 2.96Å; L414-F553 HydrophobicContact CD1-CE2 4.24Å; F553-Q555 PolarHBondContact O-N 2.88Å; F553-S556 WeakPolarHBondContact CA-OG 3.2Å; F553-S556 PolarHBondContact O-OG 3.4Å; F553-T557 WeakPolarHBondContact O-CB 3.46Å; F553-T557 PolarHBondContact O-N 3.24Å; F553-T557 PolarHBondContact O-OG1 3.49Å |
| 554 | A | 86.1 | Confident | 87.3 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.9 | -49.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F544 L552 T557 M558 | F544-A554 HydrophobicContact CE1-CB 4.21Å; L552-A554 VanDerWaalsContact C-N 3.27Å; L552-A554 PolarHBondContact O-N 3.08Å; L552-A554 VanDerWaalsContact O-N 3.13Å; A554-T557 PolarHBondContact O-N 3.47Å; A554-M558 PolarHBondContact O-N 2.99Å |
| 555 | Q | 86.7 | Confident | 86.9 | Confident | 155 Ų | 155 | 56.7 Ų | 56.7 | 72% | 0.724 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.3 | -46.7 | -178 | -171.3 | 169.9 | 5.3 | 0 | 0 | 112.8 | F553 T557 M558 D559 | F553-Q555 PolarHBondContact O-N 2.88Å; Q555-T557 VanDerWaalsContact C-N 3.28Å; Q555-T557 PolarHBondContact O-N 3Å; Q555-M558 WeakPolarHBondContact O-CB 3.48Å; Q555-M558 PolarHBondContact O-N 3.1Å; Q555-M558 VanDerWaalsContact O-N 3.15Å; Q555-D559 PolarHBondContact O-N 3.29Å; Q555-D559 VanDerWaalsContact O-N 3.11Å |
| 556 | S | 90.3 | Very high | 86.2 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 176.7 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | G386 F553 M558 H560 | G386-S556 WeakPolarHBondContact CA-OG 3.36Å; F553-S556 WeakPolarHBondContact CA-OG 3.2Å; F553-S556 PolarHBondContact O-OG 3.4Å; S556-M558 VanDerWaalsContact C-N 3.34Å; S556-H560 PolarHBondContact O-CD2 2.86Å; S556-H560 PolarHBondContact O-N 2.79Å; S556-H560 PolarHBondContact O-ND1 3.3Å |
| 557 | T | 91 | Very high | 85.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.2 | -34.3 | 178.3 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | F553 A554 Q555 H560 L561 L618 A621 | F553-T557 WeakPolarHBondContact O-CB 3.46Å; F553-T557 PolarHBondContact O-N 3.24Å; F553-T557 PolarHBondContact O-OG1 3.49Å; A554-T557 PolarHBondContact O-N 3.47Å; Q555-T557 VanDerWaalsContact C-N 3.28Å; Q555-T557 PolarHBondContact O-N 3Å; T557-H560 WeakPolarHBondContact O-CB 3.38Å; T557-H560 PolarHBondContact O-N 2.81Å; T557-L561 HydrophobicContact CG2-CD1 4.28Å; T557-L561 HydrophobicContact CG2-CG 4.44Å; T557-L561 VanDerWaalsContact O-CG 3.27Å; T557-L561 WeakPolarHBondContact O-CG 3.39Å; T557-L561 PolarHBondContact O-N 3.27Å; T557-L618 HydrophobicContact CG2-CD2 4.1Å; T557-A621 HydrophobicContact CG2-CB 3.83Å |
| 558 | M | 89.1 | Confident | 84.9 | Confident | 53 Ų | 53 | 55.3 Ų | 55.3 | 26% | 0.261 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 174.7 | -163.8 | 64.2 | 133 | 0 | 0 | 112.1 | F544 A554 Q555 S556 H560 L561 E562 H1118 | F544-M558 HydrophobicContact CD1-CE 4.48Å; F544-M558 HydrophobicContact CE1-CB 4.3Å; F544-M558 HydrophobicContact CE1-CE 4.41Å; F544-M558 HydrophobicContact CE1-SD 4.09Å; F544-M558 HydrophobicContact CE2-SD 4.43Å; F544-M558 HydrophobicContact CZ-CB 4.3Å; F544-M558 HydrophobicContact CZ-SD 3.94Å; A554-M558 PolarHBondContact O-N 2.99Å; Q555-M558 WeakPolarHBondContact O-CB 3.48Å; Q555-M558 PolarHBondContact O-N 3.1Å; Q555-M558 VanDerWaalsContact O-N 3.15Å; S556-M558 VanDerWaalsContact C-N 3.34Å; M558-H560 PolarHBondContact O-N 2.8Å; M558-L561 WeakPolarHBondContact O-CB 3.37Å; M558-L561 PolarHBondContact O-N 3.45Å; M558-L561 HydrophobicContact SD-CD1 4.4Å; M558-E562 PolarHBondContact O-N 3.46Å; M558-H1118 WeakPolarHBondContact CE-NE2 3.44Å |
| 559 | D | 89.4 | Confident | 84.7 | Confident | 92 Ų | 92 | 55.2 Ų | 55.2 | 49% | 0.492 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.1 | -36.7 | 175.8 | -65.4 | -22.7 | 0 | 0 | 0 | 111.4 | Q555 N563 | Q555-D559 PolarHBondContact O-N 3.29Å; Q555-D559 VanDerWaalsContact O-N 3.11Å; D559-N563 PolarHBondContact O-N 3.26Å |
| 560 | H | 91.3 | Very high | 85 | Confident | 33 Ų | 33 | 49 Ų | 49 | 15% | 0.153 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69 | -42.9 | 176.2 | -63.9 | 174.9 | 0 | 0 | 0 | 112.5 | S383 G386 M388 S556 T557 M558 E562 N563 F564 | S383-H560 PolarHBondContact OG-ND1 3.48Å; G386-H560 PolarHBondContact O-CE1 3.07Å; G386-H560 VanDerWaalsContact O-CE1 3.24Å; M388-H560 HydrophobicContact CE-CB 3.62Å; M388-H560 WeakPolarHBondContact CE-CD2 3.18Å; S556-H560 PolarHBondContact O-CD2 2.86Å; S556-H560 PolarHBondContact O-N 2.79Å; S556-H560 PolarHBondContact O-ND1 3.3Å; T557-H560 WeakPolarHBondContact O-CB 3.38Å; T557-H560 PolarHBondContact O-N 2.81Å; M558-H560 PolarHBondContact O-N 2.8Å; H560-E562 VanDerWaalsContact C-N 3.33Å; H560-E562 PolarHBondContact O-N 3.35Å; H560-N563 WeakPolarHBondContact O-CB 3.49Å; H560-N563 PolarHBondContact O-N 2.85Å; H560-N563 VanDerWaalsContact O-N 3.1Å; H560-F564 HydrophobicContact CB-CE2 4.3Å; H560-F564 HydrophobicContact CB-CZ 4.34Å; H560-F564 WeakPolarHBondContact O-CD2 2.86Å; H560-F564 VanDerWaalsContact O-CG 3.23Å; H560-F564 WeakPolarHBondContact O-CG 3.24Å; H560-F564 PolarHBondContact O-N 2.95Å |
| 561 | L | 89.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 176.1 | -74 | 166.2 | 0 | 0 | 0 | 111.5 | D540 F544 T557 M558 N563 F564 A565 T571 A621 H1118 | D540-L561 HydrophobicContact CB-CD1 3.86Å; F544-L561 HydrophobicContact CE2-CD1 3.94Å; F544-L561 HydrophobicContact CZ-CD1 4.19Å; T557-L561 HydrophobicContact CG2-CD1 4.28Å; T557-L561 HydrophobicContact CG2-CG 4.44Å; T557-L561 VanDerWaalsContact O-CG 3.27Å; T557-L561 WeakPolarHBondContact O-CG 3.39Å; T557-L561 PolarHBondContact O-N 3.27Å; M558-L561 WeakPolarHBondContact O-CB 3.37Å; M558-L561 PolarHBondContact O-N 3.45Å; M558-L561 HydrophobicContact SD-CD1 4.4Å; L561-N563 VanDerWaalsContact C-N 3.29Å; L561-N563 PolarHBondContact O-N 3Å; L561-F564 PolarHBondContact O-N 3.07Å; L561-A565 WeakPolarHBondContact O-CB 3.07Å; L561-A565 PolarHBondContact O-N 2.92Å; L561-T571 HydrophobicContact CD2-CG2 3.81Å; L561-A621 HydrophobicContact CD2-CB 3.65Å; L561-A621 HydrophobicContact CG-CB 4.17Å; L561-H1118 HydrophobicContact CB-CB 4.28Å |
| 562 | E | 85.4 | Confident | 86.2 | Confident | 60 Ų | 60 | 43.8 Ų | 43.8 | 28% | 0.28 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.6 | -39.4 | 172.6 | -74.9 | -168.3 | -173.3 | 0 | 0 | 112.7 | M558 H560 K566 H1118 | M558-E562 PolarHBondContact O-N 3.46Å; H560-E562 VanDerWaalsContact C-N 3.33Å; H560-E562 PolarHBondContact O-N 3.35Å; E562-K566 WeakPolarHBondContact O-CD 3.47Å; E562-K566 VanDerWaalsContact O-CG 3.23Å; E562-K566 WeakPolarHBondContact O-CG 3.27Å; E562-K566 PolarHBondContact O-N 3.39Å; E562-K566 IonicContact OE2-NZ 2.89Å; E562-H1118 VanDerWaalsContact CG-CE1 3.48Å; E562-H1118 WeakPolarHBondContact CG-CE1 3.37Å; E562-H1118 VanDerWaalsContact CG-ND1 3.31Å; E562-H1118 WeakPolarHBondContact CG-ND1 3.46Å; E562-H1118 IonicContact OE1-CE1 2.73Å |
| 563 | N | 85.8 | Confident | 86.7 | Confident | 59 Ų | 59 | 38.1 Ų | 38.1 | 32% | 0.316 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.8 | -42.4 | 176.9 | -166.8 | 17.4 | 0 | 0 | 0 | 111.5 | M388 D559 H560 L561 A565 K566 T567 | M388-N563 HydrophobicContact CE-CB 4.24Å; D559-N563 PolarHBondContact O-N 3.26Å; H560-N563 WeakPolarHBondContact O-CB 3.49Å; H560-N563 PolarHBondContact O-N 2.85Å; H560-N563 VanDerWaalsContact O-N 3.1Å; L561-N563 VanDerWaalsContact C-N 3.29Å; L561-N563 PolarHBondContact O-N 3Å; N563-A565 PolarHBondContact O-N 3.47Å; N563-K566 PolarHBondContact O-N 3.21Å; N563-T567 PolarHBondContact O-N 2.85Å; N563-T567 PolarHBondContact O-OG1 2.8Å |
| 564 | F | 87.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 176.1 | -60.3 | -23.9 | 0 | 0 | 0 | 112 | R381 M388 H560 L561 K566 T567 G568 L569 T571 A623 | R381-F564 HydrophobicContact CB-CD1 4.2Å; R381-F564 HydrophobicContact CB-CE1 3.61Å; R381-F564 HydrophobicContact CB-CZ 3.93Å; R381-F564 HydrophobicContact CG-CE1 4.29Å; M388-F564 HydrophobicContact CE-CE1 4.11Å; M388-F564 HydrophobicContact CE-CZ 4.44Å; M388-F564 HydrophobicContact CG-CE1 3.85Å; M388-F564 HydrophobicContact CG-CZ 3.9Å; M388-F564 HydrophobicContact SD-CE1 3.73Å; M388-F564 HydrophobicContact SD-CZ 4.31Å; H560-F564 HydrophobicContact CB-CE2 4.3Å; H560-F564 HydrophobicContact CB-CZ 4.34Å; H560-F564 WeakPolarHBondContact O-CD2 2.86Å; H560-F564 VanDerWaalsContact O-CG 3.23Å; H560-F564 WeakPolarHBondContact O-CG 3.24Å; H560-F564 PolarHBondContact O-N 2.95Å; L561-F564 PolarHBondContact O-N 3.07Å; F564-K566 PolarHBondContact O-N 3.22Å; F564-T567 PolarHBondContact O-N 3.07Å; F564-T567 PolarHBondContact O-OG1 3.27Å; F564-G568 PolarHBondContact O-N 3.37Å; F564-L569 HydrophobicContact CB-CB 4.29Å; F564-L569 HydrophobicContact CB-CD1 4.41Å; F564-L569 HydrophobicContact CD1-CD1 4.34Å; F564-L569 PolarHBondContact O-N 2.84Å; F564-T571 HydrophobicContact CB-CG2 3.54Å; F564-T571 HydrophobicContact CD2-CG2 4.07Å; F564-T571 HydrophobicContact CG-CG2 4.32Å; F564-A623 HydrophobicContact CB-CB 4.17Å; F564-A623 HydrophobicContact CD1-CB 4.23Å; F564-A623 HydrophobicContact CD2-CB 3.71Å; F564-A623 HydrophobicContact CE2-CB 4.08Å; F564-A623 HydrophobicContact CG-CB 3.78Å; F564-A623 HydrophobicContact CZ-CB 4.5Å |
| 565 | A | 81.7 | Confident | 87.5 | Confident | 12 Ų | 12 | 33 Ų | 33 | 10% | 0.099 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L561 N563 T567 G568 H1118 | L561-A565 WeakPolarHBondContact O-CB 3.07Å; L561-A565 PolarHBondContact O-N 2.92Å; N563-A565 PolarHBondContact O-N 3.47Å; A565-T567 PolarHBondContact O-N 3.22Å; A565-G568 PolarHBondContact O-N 3.43Å; A565-H1118 VanDerWaalsContact CB-C 3.45Å |
| 566 | K | 75.8 | Confident | 87.9 | Confident | 113 Ų | 113 | 28.2 Ų | 28.2 | 49% | 0.491 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60 | -30 | 176.1 | -75.3 | 165.8 | -170.7 | 158.6 | 0 | 112.7 | E562 N563 F564 | E562-K566 WeakPolarHBondContact O-CD 3.47Å; E562-K566 VanDerWaalsContact O-CG 3.23Å; E562-K566 WeakPolarHBondContact O-CG 3.27Å; E562-K566 PolarHBondContact O-N 3.39Å; E562-K566 IonicContact OE2-NZ 2.89Å; N563-K566 PolarHBondContact O-N 3.21Å; F564-K566 PolarHBondContact O-N 3.22Å |
| 567 | T | 77.2 | Confident | 88 | Confident | 58 Ų | 58 | 27.7 Ų | 27.7 | 36% | 0.356 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -2.9 | 175.2 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | N563 F564 A565 L569 | N563-T567 PolarHBondContact O-N 2.85Å; N563-T567 PolarHBondContact O-OG1 2.8Å; F564-T567 PolarHBondContact O-N 3.07Å; F564-T567 PolarHBondContact O-OG1 3.27Å; A565-T567 PolarHBondContact O-N 3.22Å; T567-L569 WeakPolarHBondContact OG1-CD1 3.38Å; T567-L569 WeakPolarHBondContact OG1-CG 3.38Å |
| 568 | G | 79.2 | Confident | 88.1 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 22.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F564 A565 S663 | F564-G568 PolarHBondContact O-N 3.37Å; A565-G568 PolarHBondContact O-N 3.43Å; G568-S663 WeakPolarHBondContact CA-OG 3.46Å; G568-S663 PolarHBondContact O-OG 2.92Å |
| 569 | L | 86.2 | Confident | 88.2 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | trans | -83.6 | 141.5 | 175.9 | -59.8 | 173.7 | 0 | 0 | 0 | 110.5 | K380 R381 F564 T567 A623 E625 | K380-L569 HydrophobicContact CB-CD1 4.45Å; K380-L569 HydrophobicContact CB-CD2 4.08Å; K380-L569 HydrophobicContact CG-CD1 4.42Å; K380-L569 HydrophobicContact CG-CD2 4.17Å; R381-L569 HydrophobicContact CB-CD1 4.47Å; R381-L569 HydrophobicContact CG-CD1 4.27Å; F564-L569 HydrophobicContact CB-CB 4.29Å; F564-L569 HydrophobicContact CB-CD1 4.41Å; F564-L569 HydrophobicContact CD1-CD1 4.34Å; F564-L569 PolarHBondContact O-N 2.84Å; T567-L569 WeakPolarHBondContact OG1-CD1 3.38Å; T567-L569 WeakPolarHBondContact OG1-CG 3.38Å; L569-A623 HydrophobicContact CB-CB 4Å; L569-A623 HydrophobicContact CD1-CB 3.85Å; L569-E625 HydrophobicContact CD2-CB 3.6Å; L569-E625 HydrophobicContact CD2-CG 3.94Å | ||
| 570 | R | 87.2 | Confident | 88.3 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 121.8 | 174.1 | -53.7 | -173.2 | 178.8 | -166.6 | -1.1 | 109.6 | M377 D472 A623 I624 D626 G1119 A1121 S1123 | M377-R570 VanDerWaalsContact CE-CZ 3.48Å; M377-R570 VanDerWaalsContact CE-NH2 3.32Å; D472-R570 IonicContact OD1-NH1 3.64Å; D472-R570 PolarHBondContact OD1-NH1 2.82Å; D472-R570 IonicContact OD2-NH1 3.71Å; D472-R570 PolarHBondContact OD2-NH1 3.06Å; R570-A623 CarbonylContact O-C 3.58Å; R570-A623 WeakPolarHBondContact O-CA 3.21Å; R570-I624 HydrophobicContact CB-CB 4.42Å; R570-I624 WeakPolarHBondContact CB-O 3.34Å; R570-I624 PolarHBondContact N-O 2.82Å; R570-I624 PolarHBondContact O-N 3.12Å; R570-D626 IonicContact CZ-OD2 2.72Å; R570-D626 IonicContact NH2-OD2 3.46Å; R570-D626 PolarHBondContact NH2-OD2 3.44Å; R570-G1119 WeakPolarHBondContact CA-O 3.43Å; R570-A1121 HydrophobicContact CB-CB 4.12Å; R570-A1121 HydrophobicContact CG-CB 3.88Å; R570-S1123 PolarHBondContact NH1-OG 3.28Å |
| 571 | T | 90.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 144.4 | -175.1 | 59.9 | 0 | 0 | 0 | 0 | 112.6 | L561 F564 T622 H1118 G1119 Y1120 | L561-T571 HydrophobicContact CD2-CG2 3.81Å; F564-T571 HydrophobicContact CB-CG2 3.54Å; F564-T571 HydrophobicContact CD2-CG2 4.07Å; F564-T571 HydrophobicContact CG-CG2 4.32Å; T571-T622 VanDerWaalsContact CA-O 3.29Å; T571-T622 WeakPolarHBondContact CA-O 3.46Å; T571-H1118 PolarHBondContact OG1-O 3.08Å; T571-G1119 PolarHBondContact N-O 2.94Å; T571-G1119 VanDerWaalsContact OG1-C 3.23Å; T571-G1119 PolarHBondContact OG1-O 3.28Å; T571-Y1120 WeakPolarHBondContact O-CD2 3.47Å; T571-Y1120 PolarHBondContact OG1-N 3.35Å |
| 572 | L | 92.1 | Very high | 88.4 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 136.4 | 168.2 | -60.4 | 169.2 | 0 | 0 | 0 | 110 | L476 A621 T622 I624 Y1120 F1122 | L476-L572 HydrophobicContact CD1-CD1 4Å; L572-A621 CarbonylContact O-C 3.59Å; L572-A621 WeakPolarHBondContact O-CA 3.46Å; L572-A621 WeakPolarHBondContact O-CB 3.47Å; L572-T622 WeakPolarHBondContact CB-OG1 3.39Å; L572-T622 PolarHBondContact N-O 2.82Å; L572-T622 VanDerWaalsContact N-O 3.08Å; L572-T622 PolarHBondContact O-N 3.2Å; L572-I624 HydrophobicContact CD1-CD1 4.46Å; L572-Y1120 HydrophobicContact CD2-CD2 3.95Å; L572-Y1120 HydrophobicContact CD2-CE2 3.51Å; L572-F1122 HydrophobicContact CD1-CD2 3.77Å; L572-F1122 HydrophobicContact CD1-CE2 3.95Å; L572-F1122 HydrophobicContact CD2-CB 4.17Å; L572-F1122 HydrophobicContact CD2-CD2 3.84Å; L572-F1122 HydrophobicContact CD2-CG 4.27Å; L572-F1122 HydrophobicContact CG-CD2 4.4Å |
| 573 | C | 93.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 140.6 | 171.5 | -67.6 | 0 | 0 | 0 | 0 | 110.4 | K537 G538 I543 L618 | K537-C573 WeakPolarHBondContact CA-O 3.29Å; G538-C573 PolarHBondContact N-O 2.85Å; G538-C573 PolarHBondContact O-N 3.5Å; I543-C573 HydrophobicContact CB-CB 4.05Å; I543-C573 HydrophobicContact CG1-CB 4.14Å; I543-C573 HydrophobicContact CG2-CB 4.03Å; C573-L618 HydrophobicContact CB-CD1 4.24Å |
| 574 | I | 94.4 | Very high | 89 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 124.1 | 176.4 | -54.8 | -173.5 | 0 | 0 | 0 | 108.9 | F418 I421 L422 L619 G620 T622 | F418-I574 HydrophobicContact CD2-CB 4.49Å; F418-I574 HydrophobicContact CD2-CD1 4.07Å; F418-I574 HydrophobicContact CE1-CD1 4.46Å; F418-I574 HydrophobicContact CE2-CB 4.27Å; F418-I574 HydrophobicContact CE2-CD1 3.59Å; F418-I574 HydrophobicContact CE2-CG1 4.17Å; F418-I574 HydrophobicContact CZ-CD1 3.82Å; I421-I574 HydrophobicContact CB-CG2 4.11Å; I421-I574 HydrophobicContact CD1-CG2 4.02Å; I421-I574 HydrophobicContact CG2-CG2 3.53Å; L422-I574 HydrophobicContact CD2-CD1 3.35Å; L422-I574 HydrophobicContact CG-CD1 3.89Å; I574-L619 PolarHBondContact O-N 3.12Å; I574-G620 PolarHBondContact N-O 2.85Å; I574-G620 PolarHBondContact O-N 2.71Å; I574-T622 HydrophobicContact CD1-CG2 3.75Å; I574-T622 HydrophobicContact CG1-CG2 4.41Å |
| 575 | A | 94.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 158 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V536 I543 L547 L616 Q617 | V536-A575 PolarHBondContact N-O 3.06Å; V536-A575 PolarHBondContact O-N 3.21Å; I543-A575 HydrophobicContact CG2-CB 3.87Å; L547-A575 HydrophobicContact CD2-CB 4.26Å; A575-L616 HydrophobicContact CB-CB 3.9Å; A575-L616 HydrophobicContact CB-CD1 4.3Å; A575-Q617 WeakPolarHBondContact CA-O 3.32Å; A575-Q617 WeakPolarHBondContact CB-O 3.2Å |
| 576 | W | 94.3 | Very high | 89.7 | Confident | 54 Ų | 54 | 47.1 Ų | 47.1 | 21% | 0.205 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 164.4 | 178.3 | 75.1 | -68.5 | 0 | 0 | 0 | 111.4 | I421 V534 E578 Q617 L619 | I421-W576 HydrophobicContact CD1-CB 3.95Å; I421-W576 HydrophobicContact CD1-CG 4.34Å; V534-W576 CarbonylContact O-C 3.59Å; V534-W576 WeakPolarHBondContact O-CA 3.43Å; W576-E578 HydrophobicContact CZ3-CB 4.19Å; W576-Q617 PolarHBondContact N-O 2.9Å; W576-Q617 PolarHBondContact O-N 3.42Å; W576-L619 VanDerWaalsContact CD1-CG 3.42Å; W576-L619 HydrophobicContact CG-CD1 4.07Å |
| 577 | T | 93.2 | Very high | 90.5 | Very high | 25 Ų | 25 | 41.9 Ų | 41.9 | 15% | 0.153 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 151.6 | 169.5 | -167.2 | 0 | 0 | 0 | 0 | 111 | S533 V534 V579 N615 L616 | S533-T577 CarbonylContact C-O 3.58Å; S533-T577 WeakPolarHBondContact CA-O 3.2Å; V534-T577 HydrophobicContact CB-CG2 3.98Å; V534-T577 HydrophobicContact CG2-CG2 4.48Å; V534-T577 PolarHBondContact N-O 2.91Å; V534-T577 PolarHBondContact O-N 3.07Å; T577-V579 HydrophobicContact CG2-CG2 4.29Å; T577-N615 PolarHBondContact OG1-O 2.72Å; T577-L616 HydrophobicContact CG2-CD2 3.76Å |
| 578 | E | 91.9 | Very high | 91.3 | Very high | 99 Ų | 99 | 41.2 Ų | 41.2 | 46% | 0.463 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.5 | 172.4 | -171.6 | 171.2 | 168.2 | 0 | 0 | 109 | R531 W576 | R531-E578 WeakPolarHBondContact CD-OE1 3.45Å; R531-E578 IonicContact NE-OE1 2.62Å; R531-E578 IonicContact NH1-OE1 3.29Å; R531-E578 IonicContact NH1-OE2 2.63Å; R531-E578 PolarHBondContact NH1-OE2 3.23Å; W576-E578 HydrophobicContact CZ3-CB 4.19Å |
| 579 | V | 91.5 | Very high | 91.9 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.4 | -176.8 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | I532 V534 T577 F583 I612 | I532-V579 HydrophobicContact CG2-CB 4.27Å; I532-V579 PolarHBondContact O-N 3.12Å; V534-V579 HydrophobicContact CB-CG2 4.36Å; V534-V579 HydrophobicContact CG2-CG2 3.36Å; T577-V579 HydrophobicContact CG2-CG2 4.29Å; V579-F583 HydrophobicContact CG1-CD1 3.66Å; V579-F583 HydrophobicContact CG1-CE1 4.43Å; V579-I612 HydrophobicContact CG2-CG1 4.36Å |
| 580 | D | 91.9 | Very high | 92.2 | Very high | 100 Ų | 100 | 46.3 Ų | 46.3 | 54% | 0.535 | 25% | 0.252 | S | S | . | . | trans | -62.7 | 130.9 | 173.6 | 178.7 | 62.9 | 0 | 0 | 0 | 111.1 | A582 F583 Y584 | D580-A582 PolarHBondContact O-N 2.92Å; D580-A582 VanDerWaalsContact O-N 3.14Å; D580-A582 VanDerWaalsContact OD2-CB 3.23Å; D580-A582 WeakPolarHBondContact OD2-CB 3.27Å; D580-A582 PolarHBondContact OD2-N 3.37Å; D580-A582 VanDerWaalsContact OD2-N 3.11Å; D580-F583 HydrophobicContact CB-CB 4.36Å; D580-F583 WeakPolarHBondContact O-CB 3.5Å; D580-F583 PolarHBondContact O-N 3.12Å; D580-F583 VanDerWaalsContact O-N 3.09Å; D580-F583 PolarHBondContact OD2-N 2.98Å; D580-Y584 PolarHBondContact O-N 3Å | ||
| 581 | P | 90 | Very high | 92.3 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 47% | 0.468 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.9 | -31.3 | -179 | -28.9 | 36 | 0 | 0 | 0 | 114.8 | Y584 N585 | P581-Y584 PolarHBondContact O-N 3.41Å; P581-N585 VanDerWaalsContact O-CG 3.31Å; P581-N585 PolarHBondContact O-N 3.15Å; P581-N585 VanDerWaalsContact O-N 3.09Å; P581-N585 PolarHBondContact O-ND2 2.87Å; P581-N585 VanDerWaalsContact O-ND2 3.17Å |
| 582 | A | 91.8 | Very high | 92.3 | Very high | 66 Ų | 66 | 55.3 Ų | 55.3 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -72.2 | -40 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D580 K586 | D580-A582 PolarHBondContact O-N 2.92Å; D580-A582 VanDerWaalsContact O-N 3.14Å; D580-A582 VanDerWaalsContact OD2-CB 3.23Å; D580-A582 WeakPolarHBondContact OD2-CB 3.27Å; D580-A582 PolarHBondContact OD2-N 3.37Å; D580-A582 VanDerWaalsContact OD2-N 3.11Å; A582-K586 PolarHBondContact O-N 3.22Å |
| 583 | F | 92.3 | Very high | 92.2 | Very high | 92 Ų | 92 | 62.7 Ų | 62.7 | 40% | 0.404 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 171.8 | 179 | -92.7 | 0 | 0 | 0 | 111.3 | V579 D580 N585 K586 W587 I612 | V579-F583 HydrophobicContact CG1-CD1 3.66Å; V579-F583 HydrophobicContact CG1-CE1 4.43Å; D580-F583 HydrophobicContact CB-CB 4.36Å; D580-F583 WeakPolarHBondContact O-CB 3.5Å; D580-F583 PolarHBondContact O-N 3.12Å; D580-F583 VanDerWaalsContact O-N 3.09Å; D580-F583 PolarHBondContact OD2-N 2.98Å; F583-N585 PolarHBondContact O-N 3.36Å; F583-K586 WeakPolarHBondContact O-CB 3.12Å; F583-K586 PolarHBondContact O-N 3.32Å; F583-W587 HydrophobicContact CE1-CB 4.44Å; F583-W587 PolarHBondContact O-N 3.25Å; F583-I612 HydrophobicContact CE1-CG1 4.38Å |
| 584 | Y | 91.7 | Very high | 91.9 | Very high | 17 Ų | 17 | 63 Ų | 63 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.3 | -46 | 178.9 | 175.3 | -102 | 0 | 0 | 0 | 112.3 | L509 H510 V524 I532 D580 P581 K586 W587 V588 I612 | L509-Y584 WeakPolarHBondContact CB-OH 3.38Å; L509-Y584 HydrophobicContact CD1-CE1 4.07Å; L509-Y584 HydrophobicContact CD1-CE2 4.18Å; H510-Y584 AromaticContact CD2-CZ 4Å; H510-Y584 PolarHBondContact CD2-OH 2.64Å; H510-Y584 PolarHBondContact NE2-OH 3.04Å; V524-Y584 HydrophobicContact CG1-CD2 4.08Å; V524-Y584 HydrophobicContact CG1-CE2 3.74Å; I532-Y584 HydrophobicContact CD1-CD1 3.69Å; I532-Y584 HydrophobicContact CD1-CE1 4.3Å; I532-Y584 HydrophobicContact CD1-CG 3.9Å; I532-Y584 HydrophobicContact CG2-CD2 4.25Å; I532-Y584 HydrophobicContact CG2-CG 4.39Å; D580-Y584 PolarHBondContact O-N 3Å; P581-Y584 PolarHBondContact O-N 3.41Å; Y584-K586 VanDerWaalsContact C-N 3.29Å; Y584-K586 PolarHBondContact O-N 2.95Å; Y584-W587 HydrophobicContact CD2-CE3 4.43Å; Y584-W587 HydrophobicContact CE2-CE3 4.25Å; Y584-W587 HydrophobicContact CE2-CZ3 4.45Å; Y584-W587 WeakPolarHBondContact O-CB 3.17Å; Y584-W587 PolarHBondContact O-N 3.14Å; Y584-W587 VanDerWaalsContact O-N 3.11Å; Y584-V588 HydrophobicContact CD1-CG2 4.08Å; Y584-V588 HydrophobicContact CD2-CG2 4.23Å; Y584-V588 HydrophobicContact CE1-CG2 3.53Å; Y584-V588 HydrophobicContact CE2-CG2 3.71Å; Y584-V588 HydrophobicContact CG-CG2 4.39Å; Y584-V588 WeakPolarHBondContact O-CG2 3.42Å; Y584-V588 PolarHBondContact O-N 3.16Å; Y584-V588 WeakPolarHBondContact OH-CG2 3.4Å; Y584-I612 HydrophobicContact CD2-CD1 4.45Å |
| 585 | N | 92 | Very high | 91.4 | Very high | 110 Ų | 110 | 64.9 Ų | 64.9 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.1 | -37.3 | 178.5 | -71.6 | -31.1 | 0 | 0 | 0 | 112.7 | P581 F583 A589 | P581-N585 VanDerWaalsContact O-CG 3.31Å; P581-N585 PolarHBondContact O-N 3.15Å; P581-N585 VanDerWaalsContact O-N 3.09Å; P581-N585 PolarHBondContact O-ND2 2.87Å; P581-N585 VanDerWaalsContact O-ND2 3.17Å; F583-N585 PolarHBondContact O-N 3.36Å; N585-A589 PolarHBondContact O-N 2.86Å |
| 586 | K | 92.5 | Very high | 91.1 | Very high | 148 Ų | 148 | 68.7 Ų | 68.7 | 64% | 0.643 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.9 | -43.2 | 174 | -174.1 | -178.6 | 178.4 | -175.4 | 0 | 111.4 | A582 F583 Y584 A589 N590 | A582-K586 PolarHBondContact O-N 3.22Å; F583-K586 WeakPolarHBondContact O-CB 3.12Å; F583-K586 PolarHBondContact O-N 3.32Å; Y584-K586 VanDerWaalsContact C-N 3.29Å; Y584-K586 PolarHBondContact O-N 2.95Å; K586-A589 PolarHBondContact O-N 3.19Å; K586-N590 PolarHBondContact O-N 2.93Å |
| 587 | W | 93.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 67 Ų | 67 | 1% | 0.011 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.9 | -178 | 86.6 | 0 | 0 | 0 | 112.1 | H510 L512 F583 Y584 A589 N590 F591 V608 I612 | H510-W587 HydrophobicContact CB-CH2 4.17Å; H510-W587 HydrophobicContact CB-CZ3 4.14Å; H510-W587 AromaticContact CD2-CZ3 3.68Å; H510-W587 AromaticContact CG-CZ3 3.81Å; L512-W587 HydrophobicContact CD2-CH2 4Å; L512-W587 HydrophobicContact CD2-CZ2 4Å; F583-W587 HydrophobicContact CE1-CB 4.44Å; F583-W587 PolarHBondContact O-N 3.25Å; Y584-W587 HydrophobicContact CD2-CE3 4.43Å; Y584-W587 HydrophobicContact CE2-CE3 4.25Å; Y584-W587 HydrophobicContact CE2-CZ3 4.45Å; Y584-W587 WeakPolarHBondContact O-CB 3.17Å; Y584-W587 PolarHBondContact O-N 3.14Å; Y584-W587 VanDerWaalsContact O-N 3.11Å; W587-A589 VanDerWaalsContact C-N 3.31Å; W587-A589 PolarHBondContact O-N 3.49Å; W587-N590 WeakPolarHBondContact O-CB 3.33Å; W587-N590 PolarHBondContact O-N 3.12Å; W587-N590 VanDerWaalsContact O-N 3.11Å; W587-F591 HydrophobicContact CD2-CB 4.45Å; W587-F591 HydrophobicContact CE3-CB 4.25Å; W587-F591 HydrophobicContact CH2-CB 4.05Å; W587-F591 HydrophobicContact CH2-CD1 4.49Å; W587-F591 AromaticContact CH2-CD2 3.44Å; W587-F591 HydrophobicContact CH2-CD2 3.44Å; W587-F591 VanDerWaalsContact CH2-CD2 3.44Å; W587-F591 AromaticContact CH2-CE2 3.98Å; W587-F591 HydrophobicContact CH2-CE2 3.98Å; W587-F591 AromaticContact CH2-CG 3.73Å; W587-F591 HydrophobicContact CH2-CG 3.73Å; W587-F591 HydrophobicContact CZ2-CB 4.26Å; W587-F591 AromaticContact CZ2-CD2 3.55Å; W587-F591 HydrophobicContact CZ2-CD2 3.55Å; W587-F591 HydrophobicContact CZ2-CE2 4.23Å; W587-F591 HydrophobicContact CZ2-CG 4.14Å; W587-F591 HydrophobicContact CZ3-CB 4.04Å; W587-F591 HydrophobicContact CZ3-CD2 4.24Å; W587-F591 HydrophobicContact CZ3-CG 4.07Å; W587-F591 WeakPolarHBondContact O-CB 3.44Å; W587-F591 PolarHBondContact O-N 3.18Å; W587-V608 HydrophobicContact CD2-CG1 4.4Å; W587-V608 HydrophobicContact CG-CG1 4.5Å; W587-V608 HydrophobicContact CZ2-CG1 4.03Å; W587-V608 VanDerWaalsContact NE1-CG1 3.26Å; W587-V608 PolarHBondContact NE1-O 3.49Å; W587-I612 HydrophobicContact CD2-CB 4.29Å; W587-I612 HydrophobicContact CD2-CD1 3.74Å; W587-I612 HydrophobicContact CD2-CG2 4.47Å; W587-I612 HydrophobicContact CE3-CD1 3.98Å; W587-I612 HydrophobicContact CG-CB 4.29Å; W587-I612 HydrophobicContact CG-CD1 4.09Å; W587-I612 HydrophobicContact CZ2-CB 4.35Å; W587-I612 HydrophobicContact CZ2-CD1 4.38Å; W587-I612 HydrophobicContact CZ2-CG2 3.65Å; W587-I612 HydrophobicContact CZ3-CD1 4.41Å |
| 588 | V | 92.4 | Very high | 90.3 | Very high | 44 Ų | 44 | 74 Ų | 74 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58 | -41.7 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | Y584 F591 Y592 | Y584-V588 HydrophobicContact CD1-CG2 4.08Å; Y584-V588 HydrophobicContact CD2-CG2 4.23Å; Y584-V588 HydrophobicContact CE1-CG2 3.53Å; Y584-V588 HydrophobicContact CE2-CG2 3.71Å; Y584-V588 HydrophobicContact CG-CG2 4.39Å; Y584-V588 WeakPolarHBondContact O-CG2 3.42Å; Y584-V588 PolarHBondContact O-N 3.16Å; Y584-V588 WeakPolarHBondContact OH-CG2 3.4Å; V588-F591 PolarHBondContact O-N 3.36Å; V588-Y592 WeakPolarHBondContact O-CB 3.26Å; V588-Y592 PolarHBondContact O-N 3.2Å |
| 589 | A | 91.8 | Very high | 90 | Very high | 60 Ų | 60 | 75 Ų | 75 | 50% | 0.496 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | N585 K586 W587 K593 | N585-A589 PolarHBondContact O-N 2.86Å; K586-A589 PolarHBondContact O-N 3.19Å; W587-A589 VanDerWaalsContact C-N 3.31Å; W587-A589 PolarHBondContact O-N 3.49Å; A589-K593 WeakPolarHBondContact O-CB 3.38Å; A589-K593 PolarHBondContact O-N 3.25Å; A589-K593 VanDerWaalsContact O-N 3.11Å |
| 590 | N | 92.4 | Very high | 89.6 | Confident | 59 Ų | 59 | 80.1 Ų | 80.1 | 32% | 0.316 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 175.1 | -72.4 | -10.5 | 0 | 0 | 0 | 111.8 | K586 W587 K593 A594 V608 | K586-N590 PolarHBondContact O-N 2.93Å; W587-N590 WeakPolarHBondContact O-CB 3.33Å; W587-N590 PolarHBondContact O-N 3.12Å; W587-N590 VanDerWaalsContact O-N 3.11Å; N590-K593 PolarHBondContact O-N 3.37Å; N590-A594 WeakPolarHBondContact O-CB 3.41Å; N590-A594 PolarHBondContact O-N 2.89Å; N590-V608 HydrophobicContact CB-CG1 4.28Å; N590-V608 HydrophobicContact CB-CG2 4.26Å |
| 591 | F | 90.3 | Very high | 89.2 | Confident | 35 Ų | 35 | 81.7 Ų | 81.7 | 15% | 0.154 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 179.1 | -172.8 | -92.3 | 0 | 0 | 0 | 111.3 | H510 L512 W587 V588 K593 A594 S595 L605 V608 | H510-F591 AromaticContact CE1-CD1 3.93Å; H510-F591 AromaticContact ND1-CD1 3.83Å; H510-F591 AromaticContact ND1-CE1 3.71Å; L512-F591 HydrophobicContact CD2-CE2 3.92Å; W587-F591 HydrophobicContact CD2-CB 4.45Å; W587-F591 HydrophobicContact CE3-CB 4.25Å; W587-F591 HydrophobicContact CH2-CB 4.05Å; W587-F591 HydrophobicContact CH2-CD1 4.49Å; W587-F591 AromaticContact CH2-CD2 3.44Å; W587-F591 HydrophobicContact CH2-CD2 3.44Å; W587-F591 VanDerWaalsContact CH2-CD2 3.44Å; W587-F591 AromaticContact CH2-CE2 3.98Å; W587-F591 HydrophobicContact CH2-CE2 3.98Å; W587-F591 AromaticContact CH2-CG 3.73Å; W587-F591 HydrophobicContact CH2-CG 3.73Å; W587-F591 HydrophobicContact CZ2-CB 4.26Å; W587-F591 AromaticContact CZ2-CD2 3.55Å; W587-F591 HydrophobicContact CZ2-CD2 3.55Å; W587-F591 HydrophobicContact CZ2-CE2 4.23Å; W587-F591 HydrophobicContact CZ2-CG 4.14Å; W587-F591 HydrophobicContact CZ3-CB 4.04Å; W587-F591 HydrophobicContact CZ3-CD2 4.24Å; W587-F591 HydrophobicContact CZ3-CG 4.07Å; W587-F591 WeakPolarHBondContact O-CB 3.44Å; W587-F591 PolarHBondContact O-N 3.18Å; V588-F591 PolarHBondContact O-N 3.36Å; F591-K593 PolarHBondContact O-N 2.86Å; F591-A594 PolarHBondContact O-N 2.86Å; F591-S595 WeakPolarHBondContact O-CB 3.42Å; F591-S595 PolarHBondContact O-N 3.25Å; F591-S595 PolarHBondContact O-OG 3.11Å; F591-L605 HydrophobicContact CD2-CD2 4.12Å; F591-L605 HydrophobicContact CE2-CD2 3.71Å; F591-L605 HydrophobicContact CZ-CD2 3.92Å; F591-V608 HydrophobicContact CB-CG1 3.91Å; F591-V608 HydrophobicContact CD2-CG1 4.04Å |
| 592 | Y | 90.2 | Very high | 88.8 | Confident | 159 Ų | 159 | 85.3 Ų | 85.3 | 62% | 0.624 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -58.3 | -48.9 | 174.1 | -177.6 | -102.4 | 0 | 0 | 0 | 110.9 | V588 A594 S595 T596 | V588-Y592 WeakPolarHBondContact O-CB 3.26Å; V588-Y592 PolarHBondContact O-N 3.2Å; Y592-A594 VanDerWaalsContact C-N 3.3Å; Y592-A594 PolarHBondContact O-N 3.4Å; Y592-S595 WeakPolarHBondContact CA-OG 3.01Å; Y592-S595 PolarHBondContact O-N 2.85Å; Y592-S595 VanDerWaalsContact O-N 3.1Å; Y592-S595 PolarHBondContact O-OG 3.18Å; Y592-T596 HydrophobicContact CD2-CG2 4.47Å; Y592-T596 HydrophobicContact CE1-CG2 4.11Å; Y592-T596 HydrophobicContact CE2-CG2 4.08Å; Y592-T596 PolarHBondContact O-N 3.16Å; Y592-T596 PolarHBondContact O-OG1 3.43Å |
| 593 | K | 89.6 | Confident | 88.6 | Confident | 159 Ų | 159 | 85 Ų | 85 | 69% | 0.691 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -58.3 | -39.5 | 176.6 | -174.4 | -179.5 | 179.8 | -178.1 | 0 | 112.7 | A589 N590 F591 T596 A597 | A589-K593 WeakPolarHBondContact O-CB 3.38Å; A589-K593 PolarHBondContact O-N 3.25Å; A589-K593 VanDerWaalsContact O-N 3.11Å; N590-K593 PolarHBondContact O-N 3.37Å; F591-K593 PolarHBondContact O-N 2.86Å; K593-T596 PolarHBondContact O-OG1 2.89Å; K593-A597 PolarHBondContact O-N 3.41Å |
| 594 | A | 88 | Confident | 88.4 | Confident | 6 Ų | 6 | 84.6 Ų | 84.6 | 5% | 0.05 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.3 | -42.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | N590 F591 Y592 T596 A597 K604 L605 V608 | N590-A594 WeakPolarHBondContact O-CB 3.41Å; N590-A594 PolarHBondContact O-N 2.89Å; F591-A594 PolarHBondContact O-N 2.86Å; Y592-A594 VanDerWaalsContact C-N 3.3Å; Y592-A594 PolarHBondContact O-N 3.4Å; A594-T596 VanDerWaalsContact C-N 3.33Å; A594-T596 PolarHBondContact O-N 3.28Å; A594-A597 VanDerWaalsContact O-CB 3.3Å; A594-A597 WeakPolarHBondContact O-CB 3.28Å; A594-A597 PolarHBondContact O-N 3.38Å; A594-K604 HydrophobicContact CB-CB 3.96Å; A594-L605 HydrophobicContact CB-CD2 3.92Å; A594-L605 HydrophobicContact CB-CG 4.29Å; A594-V608 HydrophobicContact CB-CG2 4.06Å |
| 595 | S | 83.4 | Confident | 88.2 | Confident | 43 Ų | 43 | 85.9 Ų | 85.9 | 30% | 0.301 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.9 | -31.8 | -179.5 | 75.1 | 0 | 0 | 0 | 0 | 113.7 | F591 Y592 R601 | F591-S595 WeakPolarHBondContact O-CB 3.42Å; F591-S595 PolarHBondContact O-N 3.25Å; F591-S595 PolarHBondContact O-OG 3.11Å; Y592-S595 WeakPolarHBondContact CA-OG 3.01Å; Y592-S595 PolarHBondContact O-N 2.85Å; Y592-S595 VanDerWaalsContact O-N 3.1Å; Y592-S595 PolarHBondContact O-OG 3.18Å; S595-R601 WeakPolarHBondContact O-CD 3.38Å |
| 596 | T | 87.7 | Confident | 88 | Confident | 79 Ų | 79 | 82.7 Ų | 82.7 | 49% | 0.485 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 0.5 | 177.8 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | Y592 K593 A594 L598 | Y592-T596 HydrophobicContact CD2-CG2 4.47Å; Y592-T596 HydrophobicContact CE1-CG2 4.11Å; Y592-T596 HydrophobicContact CE2-CG2 4.08Å; Y592-T596 PolarHBondContact O-N 3.16Å; Y592-T596 PolarHBondContact O-OG1 3.43Å; K593-T596 PolarHBondContact O-OG1 2.89Å; A594-T596 VanDerWaalsContact C-N 3.33Å; A594-T596 PolarHBondContact O-N 3.28Å; T596-L598 PolarHBondContact O-N 3.09Å |
| 597 | A | 86.8 | Confident | 87.9 | Confident | 19 Ų | 19 | 81.2 Ų | 81.2 | 16% | 0.157 | 42% | 0.42 | C | S | . | . | trans | -70.4 | 130.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K593 A594 R601 K604 | K593-A597 PolarHBondContact O-N 3.41Å; A594-A597 VanDerWaalsContact O-CB 3.3Å; A594-A597 WeakPolarHBondContact O-CB 3.28Å; A594-A597 PolarHBondContact O-N 3.38Å; A597-R601 WeakPolarHBondContact O-CB 3.48Å; A597-K604 HydrophobicContact CB-CD 3.81Å | ||
| 598 | L | 83.9 | Confident | 87.8 | Confident | 173 Ų | 173 | 81.7 Ų | 81.7 | 91% | 0.906 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -75.4 | -37.4 | 174.8 | -67.2 | 170.2 | 0 | 0 | 0 | 112.1 | T596 | T596-L598 PolarHBondContact O-N 3.09Š|
| 599 | N | 87.1 | Confident | 87.7 | Confident | 119 Ų | 119 | 79.8 Ų | 79.8 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -105.7 | 137.3 | -178 | -59.5 | -10.4 | 0 | 0 | 0 | 110.6 | R601 K604 | N599-R601 PolarHBondContact O-N 3.05Å; N599-K604 PolarHBondContact O-NZ 2.75Å |
| 600 | D | 83.2 | Confident | 87.7 | Confident | 120 Ų | 120 | 79.2 Ų | 79.2 | 64% | 0.642 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 51.5 | 37.3 | 176.8 | -52.6 | -43.1 | 0 | 0 | 0 | 113.6 | E602 A603 K604 | D600-E602 VanDerWaalsContact C-N 3.32Å; D600-E602 PolarHBondContact O-N 2.99Å; D600-A603 HydrophobicContact CB-CB 4.39Å; D600-A603 PolarHBondContact O-N 2.73Å; D600-K604 WeakPolarHBondContact O-CB 3.46Å; D600-K604 WeakPolarHBondContact O-CG 3.27Å; D600-K604 PolarHBondContact O-N 2.71Å |
| 601 | R | 83 | Confident | 87.7 | Confident | 133 Ų | 133 | 80.9 Ų | 80.9 | 50% | 0.502 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -54.7 | -47.7 | -176.5 | -172.3 | 177.6 | 62.9 | 177.3 | -2.2 | 111.7 | S595 A597 N599 K604 L605 | S595-R601 WeakPolarHBondContact O-CD 3.38Å; A597-R601 WeakPolarHBondContact O-CB 3.48Å; N599-R601 PolarHBondContact O-N 3.05Å; R601-K604 PolarHBondContact O-N 3.08Å; R601-L605 HydrophobicContact CG-CD1 3.92Å; R601-L605 HydrophobicContact CG-CG 4.44Å; R601-L605 WeakPolarHBondContact O-CB 3.45Å; R601-L605 VanDerWaalsContact O-CG 3.24Å; R601-L605 WeakPolarHBondContact O-CG 3.16Å; R601-L605 PolarHBondContact O-N 2.84Å |
| 602 | E | 81.1 | Confident | 87.8 | Confident | 147 Ų | 147 | 79.4 Ų | 79.4 | 69% | 0.687 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.3 | -45.8 | -178.2 | -66.7 | 178.1 | -177.4 | 0 | 0 | 112.1 | D600 K604 L605 E606 | D600-E602 VanDerWaalsContact C-N 3.32Å; D600-E602 PolarHBondContact O-N 2.99Å; E602-K604 PolarHBondContact O-N 3.37Å; E602-L605 PolarHBondContact O-N 3.45Å; E602-E606 PolarHBondContact O-N 2.8Å |
| 603 | A | 86.8 | Confident | 87.9 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 49% | 0.488 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | D600 E606 L607 | D600-A603 HydrophobicContact CB-CB 4.39Å; D600-A603 PolarHBondContact O-N 2.73Å; A603-E606 PolarHBondContact O-N 2.86Å; A603-L607 WeakPolarHBondContact O-CG 3.42Å; A603-L607 PolarHBondContact O-N 2.98Å |
| 604 | K | 89 | Confident | 87.9 | Confident | 84 Ų | 84 | 67.8 Ų | 67.8 | 37% | 0.365 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 175.6 | -73.1 | 170.2 | -177.3 | 160.3 | 0 | 112.2 | A594 A597 N599 D600 R601 E602 E606 L607 V608 | A594-K604 HydrophobicContact CB-CB 3.96Å; A597-K604 HydrophobicContact CB-CD 3.81Å; N599-K604 PolarHBondContact O-NZ 2.75Å; D600-K604 WeakPolarHBondContact O-CB 3.46Å; D600-K604 WeakPolarHBondContact O-CG 3.27Å; D600-K604 PolarHBondContact O-N 2.71Å; R601-K604 PolarHBondContact O-N 3.08Å; E602-K604 PolarHBondContact O-N 3.37Å; K604-E606 VanDerWaalsContact C-N 3.33Å; K604-L607 PolarHBondContact O-N 2.97Å; K604-V608 WeakPolarHBondContact O-CG2 3.2Å; K604-V608 PolarHBondContact O-N 3.37Å; K604-V608 VanDerWaalsContact O-N 3.09Å |
| 605 | L | 87.2 | Confident | 88.1 | Confident | 45 Ų | 45 | 72.6 Ų | 72.6 | 24% | 0.236 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 174.8 | -75.6 | 170.9 | 0 | 0 | 0 | 111.1 | F591 A594 R601 E602 V608 A609 | F591-L605 HydrophobicContact CD2-CD2 4.12Å; F591-L605 HydrophobicContact CE2-CD2 3.71Å; F591-L605 HydrophobicContact CZ-CD2 3.92Å; A594-L605 HydrophobicContact CB-CD2 3.92Å; A594-L605 HydrophobicContact CB-CG 4.29Å; R601-L605 HydrophobicContact CG-CD1 3.92Å; R601-L605 HydrophobicContact CG-CG 4.44Å; R601-L605 WeakPolarHBondContact O-CB 3.45Å; R601-L605 VanDerWaalsContact O-CG 3.24Å; R601-L605 WeakPolarHBondContact O-CG 3.16Å; R601-L605 PolarHBondContact O-N 2.84Å; E602-L605 PolarHBondContact O-N 3.45Å; L605-V608 PolarHBondContact O-N 3.1Å; L605-A609 VanDerWaalsContact O-CB 3.23Å; L605-A609 WeakPolarHBondContact O-CB 3.43Å; L605-A609 PolarHBondContact O-N 2.6Å |
| 606 | E | 87.5 | Confident | 88.5 | Confident | 42 Ų | 42 | 70.6 Ų | 70.6 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 175.8 | -178.3 | 58.8 | -152.9 | 0 | 0 | 112 | R518 R520 E602 A603 K604 V608 A609 N610 | R518-E606 VanDerWaalsContact CD-OE2 3.27Å; R518-E606 WeakPolarHBondContact CD-OE2 3.4Å; R520-E606 IonicContact CZ-OE1 2.6Å; R520-E606 IonicContact NH1-OE1 2.67Å; R520-E606 IonicContact NH2-OE1 3.94Å; R520-E606 PolarHBondContact NH2-OE1 3.37Å; E602-E606 PolarHBondContact O-N 2.8Å; A603-E606 PolarHBondContact O-N 2.86Å; K604-E606 VanDerWaalsContact C-N 3.33Å; E606-V608 PolarHBondContact O-N 3.49Å; E606-A609 PolarHBondContact O-N 3.05Å; E606-N610 WeakPolarHBondContact O-CB 3.33Å; E606-N610 PolarHBondContact O-N 3.32Å |
| 607 | L | 90.7 | Very high | 88.8 | Confident | 118 Ų | 118 | 69.6 Ų | 69.6 | 62% | 0.618 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59 | -48 | 176.7 | -73.2 | 172.7 | 0 | 0 | 0 | 111.4 | A603 K604 N610 E611 | A603-L607 WeakPolarHBondContact O-CG 3.42Å; A603-L607 PolarHBondContact O-N 2.98Å; K604-L607 PolarHBondContact O-N 2.97Å; L607-N610 PolarHBondContact O-N 3.09Å; L607-E611 PolarHBondContact O-N 3.37Å |
| 608 | V | 91.8 | Very high | 89.1 | Confident | 13 Ų | 13 | 69 Ų | 69 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 178.4 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | W587 N590 F591 A594 K604 L605 E606 N610 E611 | W587-V608 HydrophobicContact CD2-CG1 4.4Å; W587-V608 HydrophobicContact CG-CG1 4.5Å; W587-V608 HydrophobicContact CZ2-CG1 4.03Å; W587-V608 VanDerWaalsContact NE1-CG1 3.26Å; W587-V608 PolarHBondContact NE1-O 3.49Å; N590-V608 HydrophobicContact CB-CG1 4.28Å; N590-V608 HydrophobicContact CB-CG2 4.26Å; F591-V608 HydrophobicContact CB-CG1 3.91Å; F591-V608 HydrophobicContact CD2-CG1 4.04Å; A594-V608 HydrophobicContact CB-CG2 4.06Å; K604-V608 WeakPolarHBondContact O-CG2 3.2Å; K604-V608 PolarHBondContact O-N 3.37Å; K604-V608 VanDerWaalsContact O-N 3.09Å; L605-V608 PolarHBondContact O-N 3.1Å; E606-V608 PolarHBondContact O-N 3.49Å; V608-N610 VanDerWaalsContact C-N 3.3Å; V608-N610 PolarHBondContact O-N 2.87Å; V608-E611 WeakPolarHBondContact O-CB 3.42Å; V608-E611 PolarHBondContact O-N 3.4Å |
| 609 | A | 90.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | L512 L605 E606 E611 I612 E613 | L512-A609 HydrophobicContact CD1-CB 4.15Å; L512-A609 HydrophobicContact CD2-CB 4Å; L605-A609 VanDerWaalsContact O-CB 3.23Å; L605-A609 WeakPolarHBondContact O-CB 3.43Å; L605-A609 PolarHBondContact O-N 2.6Å; E606-A609 PolarHBondContact O-N 3.05Å; A609-E611 VanDerWaalsContact C-N 3.28Å; A609-E611 PolarHBondContact O-N 3.2Å; A609-I612 VanDerWaalsContact O-CG2 3.26Å; A609-I612 WeakPolarHBondContact O-CG2 3.39Å; A609-I612 PolarHBondContact O-N 2.98Å; A609-E613 VanDerWaalsContact O-CG 3.3Å; A609-E613 WeakPolarHBondContact O-CG 3.38Å; A609-E613 PolarHBondContact O-N 3.33Å |
| 610 | N | 91.7 | Very high | 89.8 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.3 | -26 | 178.4 | -167.1 | 54.3 | 0 | 0 | 0 | 113.1 | R546 E606 L607 V608 Q614 | R546-N610 PolarHBondContact NE-OD1 3.36Å; R546-N610 PolarHBondContact NH2-OD1 2.84Å; E606-N610 WeakPolarHBondContact O-CB 3.33Å; E606-N610 PolarHBondContact O-N 3.32Å; L607-N610 PolarHBondContact O-N 3.09Å; V608-N610 VanDerWaalsContact C-N 3.3Å; V608-N610 PolarHBondContact O-N 2.87Å; N610-Q614 PolarHBondContact ND2-NE2 3.23Å; N610-Q614 WeakPolarHBondContact O-CG 3.4Å; N610-Q614 PolarHBondContact O-NE2 2.94Å; N610-Q614 PolarHBondContact OD1-NE2 3.38Å |
| 611 | E | 91.8 | Very high | 90.2 | Very high | 94 Ų | 94 | 49.7 Ų | 49.7 | 44% | 0.439 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.3 | -41 | 176 | -72.5 | 179.3 | 177.8 | 0 | 0 | 112.9 | L607 V608 A609 | L607-E611 PolarHBondContact O-N 3.37Å; V608-E611 WeakPolarHBondContact O-CB 3.42Å; V608-E611 PolarHBondContact O-N 3.4Å; A609-E611 VanDerWaalsContact C-N 3.28Å; A609-E611 PolarHBondContact O-N 3.2Å |
| 612 | I | 92.8 | Very high | 90.7 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -82.9 | -17.5 | -178 | -168.4 | 161.4 | 0 | 0 | 0 | 112.9 | L512 V524 V534 V579 F583 Y584 W587 A609 | L512-I612 HydrophobicContact CD1-CG2 3.89Å; V524-I612 HydrophobicContact CG1-CD1 4.46Å; V524-I612 HydrophobicContact CG2-CD1 3.99Å; V534-I612 HydrophobicContact CG2-CD1 3.91Å; V534-I612 HydrophobicContact CG2-CG1 3.7Å; V579-I612 HydrophobicContact CG2-CG1 4.36Å; F583-I612 HydrophobicContact CE1-CG1 4.38Å; Y584-I612 HydrophobicContact CD2-CD1 4.45Å; W587-I612 HydrophobicContact CD2-CB 4.29Å; W587-I612 HydrophobicContact CD2-CD1 3.74Å; W587-I612 HydrophobicContact CD2-CG2 4.47Å; W587-I612 HydrophobicContact CE3-CD1 3.98Å; W587-I612 HydrophobicContact CG-CB 4.29Å; W587-I612 HydrophobicContact CG-CD1 4.09Å; W587-I612 HydrophobicContact CZ2-CB 4.35Å; W587-I612 HydrophobicContact CZ2-CD1 4.38Å; W587-I612 HydrophobicContact CZ2-CG2 3.65Å; W587-I612 HydrophobicContact CZ3-CD1 4.41Å; A609-I612 VanDerWaalsContact O-CG2 3.26Å; A609-I612 WeakPolarHBondContact O-CG2 3.39Å; A609-I612 PolarHBondContact O-N 2.98Å |
| 613 | E | 92 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 18.9 | -179.9 | -64.6 | -174.7 | 116.5 | 0 | 0 | 114 | L512 R518 R520 V536 R546 A609 L616 | L512-E613 HydrophobicContact CD1-CG 4.12Å; R518-E613 IonicContact CZ-OE1 3.24Å; R518-E613 IonicContact CZ-OE2 2.72Å; R518-E613 IonicContact NE-OE1 3.56Å; R518-E613 IonicContact NE-OE2 3.37Å; R518-E613 PolarHBondContact NE-OE2 2.79Å; R518-E613 IonicContact NH2-OE1 3.68Å; R518-E613 PolarHBondContact NH2-OE1 3.14Å; R518-E613 IonicContact NH2-OE2 2.7Å; R518-E613 PolarHBondContact NH2-OE2 3.44Å; R518-E613 VanDerWaalsContact NH2-OE2 3.07Å; R520-E613 IonicContact CZ-OE2 3.56Å; R520-E613 VanDerWaalsContact NE-CD 3.33Å; R520-E613 IonicContact NE-OE1 3.82Å; R520-E613 PolarHBondContact NE-OE1 2.96Å; R520-E613 IonicContact NE-OE2 2.65Å; R520-E613 PolarHBondContact NE-OE2 2.81Å; R520-E613 IonicContact NH2-OE2 3.81Å; R520-E613 PolarHBondContact NH2-OE2 3.45Å; V536-E613 HydrophobicContact CG2-CG 4.38Å; R546-E613 WeakPolarHBondContact CB-O 3.37Å; A609-E613 VanDerWaalsContact O-CG 3.3Å; A609-E613 WeakPolarHBondContact O-CG 3.38Å; A609-E613 PolarHBondContact O-N 3.33Å; E613-L616 WeakPolarHBondContact O-CD1 3.36Å; E613-L616 WeakPolarHBondContact O-CG 3.43Å |
| 614 | Q | 90.3 | Very high | 91.4 | Very high | 74 Ų | 74 | 33.6 Ų | 33.6 | 35% | 0.346 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -87.9 | 153.9 | 173.5 | -61.5 | -57.1 | -42.9 | 0 | 0 | 111.7 | N610 | N610-Q614 PolarHBondContact ND2-NE2 3.23Å; N610-Q614 WeakPolarHBondContact O-CG 3.4Å; N610-Q614 PolarHBondContact O-NE2 2.94Å; N610-Q614 PolarHBondContact OD1-NE2 3.38Å |
| 615 | N | 91.7 | Very high | 91.4 | Very high | 107 Ų | 107 | 31.4 Ų | 31.4 | 57% | 0.572 | 16% | 0.158 | S | C | * | . | S | Bend | trans | 59.7 | 44 | 176.4 | -55.3 | -54.5 | 0 | 0 | 0 | 113.9 | R546 A548 T577 | R546-N615 PolarHBondContact O-N 3.09Å; R546-N615 VanDerWaalsContact O-N 3.13Å; A548-N615 HydrophobicContact CB-CB 4.14Å; T577-N615 PolarHBondContact OG1-O 2.72Å |
| 616 | L | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -72.6 | 148.7 | 177.1 | -60.5 | 172.6 | 0 | 0 | 0 | 111.6 | V536 R546 L547 A548 A575 T577 E613 | V536-L616 HydrophobicContact CB-CD1 4.21Å; V536-L616 HydrophobicContact CG1-CD1 4.42Å; V536-L616 HydrophobicContact CG2-CD1 4.03Å; V536-L616 HydrophobicContact CG2-CD2 3.91Å; R546-L616 HydrophobicContact CB-CD1 4.07Å; R546-L616 PolarHBondContact O-N 2.82Å; L547-L616 CarbonylContact C-O 3.46Å; L547-L616 VanDerWaalsContact CA-O 3.27Å; L547-L616 WeakPolarHBondContact CA-O 3.5Å; L547-L616 HydrophobicContact CD2-CB 4.2Å; L547-L616 WeakPolarHBondContact CD2-O 3.48Å; A548-L616 PolarHBondContact N-O 2.83Å; A575-L616 HydrophobicContact CB-CB 3.9Å; A575-L616 HydrophobicContact CB-CD1 4.3Å; T577-L616 HydrophobicContact CG2-CD2 3.76Å; E613-L616 WeakPolarHBondContact O-CD1 3.36Å; E613-L616 WeakPolarHBondContact O-CG 3.43Å |
| 617 | Q | 92.6 | Very high | 91.5 | Very high | 58 Ų | 58 | 30.7 Ų | 30.7 | 27% | 0.271 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.5 | 171.1 | -65 | -67.6 | -31.4 | 0 | 0 | 109.3 | T550 A575 W576 L619 | T550-Q617 PolarHBondContact OG1-NE2 3.23Å; A575-Q617 WeakPolarHBondContact CA-O 3.32Å; A575-Q617 WeakPolarHBondContact CB-O 3.2Å; W576-Q617 PolarHBondContact N-O 2.9Å; W576-Q617 PolarHBondContact O-N 3.42Å; Q617-L619 PolarHBondContact O-N 3.42Å |
| 618 | L | 93.5 | Very high | 91.5 | Very high | 7 Ų | 7 | 25.9 Ų | 25.9 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 123.8 | 177.7 | -173.4 | 69.4 | 0 | 0 | 0 | 110 | I543 F544 L547 S551 T557 C573 | I543-L618 HydrophobicContact CG2-CD1 4.44Å; F544-L618 HydrophobicContact CZ-CD2 4.24Å; L547-L618 HydrophobicContact CD1-CB 3.98Å; L547-L618 HydrophobicContact CD1-CD2 4.28Å; L547-L618 HydrophobicContact CD2-CB 3.75Å; L547-L618 HydrophobicContact CD2-CD1 4.49Å; S551-L618 WeakPolarHBondContact OG-CB 3.46Å; S551-L618 PolarHBondContact OG-N 2.75Å; S551-L618 VanDerWaalsContact OG-N 3.09Å; T557-L618 HydrophobicContact CG2-CD2 4.1Å; C573-L618 HydrophobicContact CB-CD1 4.24Å |
| 619 | L | 92.2 | Very high | 91.4 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -37.1 | 171.9 | -75.7 | 166.3 | 0 | 0 | 0 | 111.9 | G385 L414 Q417 F418 I421 I574 W576 Q617 | G385-L619 PolarHBondContact N-O 3.22Å; G385-L619 VanDerWaalsContact N-O 3.07Å; L414-L619 HydrophobicContact CD2-CD2 3.85Å; Q417-L619 HydrophobicContact CB-CD1 4.3Å; Q417-L619 HydrophobicContact CB-CD2 4.42Å; F418-L619 HydrophobicContact CD2-CB 4.36Å; I421-L619 HydrophobicContact CD1-CD1 3.18Å; I574-L619 PolarHBondContact O-N 3.12Å; W576-L619 VanDerWaalsContact CD1-CG 3.42Å; W576-L619 HydrophobicContact CG-CD1 4.07Å; Q617-L619 PolarHBondContact O-N 3.42Å |
| 620 | G | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.8 | -166.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S383 I574 | S383-G620 CarbonylContact O-C 3.54Å; S383-G620 WeakPolarHBondContact O-CA 3.49Å; I574-G620 PolarHBondContact N-O 2.85Å; I574-G620 PolarHBondContact O-N 2.71Å |
| 621 | A | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C382 S383 T557 L561 L572 | C382-A621 CarbonylContact C-O 3.58Å; C382-A621 WeakPolarHBondContact CA-O 3.44Å; S383-A621 PolarHBondContact N-O 2.9Å; S383-A621 PolarHBondContact O-N 3.13Å; T557-A621 HydrophobicContact CG2-CB 3.83Å; L561-A621 HydrophobicContact CD2-CB 3.65Å; L561-A621 HydrophobicContact CG-CB 4.17Å; L572-A621 CarbonylContact O-C 3.59Å; L572-A621 WeakPolarHBondContact O-CA 3.46Å; L572-A621 WeakPolarHBondContact O-CB 3.47Å |
| 622 | T | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 154.3 | 171.6 | 62.2 | 0 | 0 | 0 | 0 | 110 | F379 F418 L422 L476 T571 L572 I574 | F379-T622 HydrophobicContact CE2-CG2 3.62Å; F379-T622 HydrophobicContact CZ-CG2 4.17Å; F418-T622 HydrophobicContact CE1-CG2 4.19Å; F418-T622 HydrophobicContact CE2-CG2 4.4Å; F418-T622 HydrophobicContact CZ-CG2 3.54Å; L422-T622 HydrophobicContact CD1-CG2 4.42Å; L422-T622 HydrophobicContact CD2-CG2 4.17Å; L476-T622 HydrophobicContact CD2-CG2 3.89Å; T571-T622 VanDerWaalsContact CA-O 3.29Å; T571-T622 WeakPolarHBondContact CA-O 3.46Å; L572-T622 WeakPolarHBondContact CB-OG1 3.39Å; L572-T622 PolarHBondContact N-O 2.82Å; L572-T622 VanDerWaalsContact N-O 3.08Å; L572-T622 PolarHBondContact O-N 3.2Å; I574-T622 HydrophobicContact CD1-CG2 3.75Å; I574-T622 HydrophobicContact CG1-CG2 4.41Å |
| 623 | A | 91.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 115 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | K380 R381 F564 L569 R570 | K380-A623 PolarHBondContact N-O 3.22Å; R381-A623 HydrophobicContact CB-CB 3.96Å; R381-A623 PolarHBondContact N-O 3.1Å; R381-A623 WeakPolarHBondContact O-CA 3.4Å; R381-A623 WeakPolarHBondContact O-CB 3.32Å; R381-A623 PolarHBondContact O-N 2.94Å; F564-A623 HydrophobicContact CB-CB 4.17Å; F564-A623 HydrophobicContact CD1-CB 4.23Å; F564-A623 HydrophobicContact CD2-CB 3.71Å; F564-A623 HydrophobicContact CE2-CB 4.08Å; F564-A623 HydrophobicContact CG-CB 3.78Å; F564-A623 HydrophobicContact CZ-CB 4.5Å; L569-A623 HydrophobicContact CB-CB 4Å; L569-A623 HydrophobicContact CD1-CB 3.85Å; R570-A623 CarbonylContact O-C 3.58Å; R570-A623 WeakPolarHBondContact O-CA 3.21Å |
| 624 | I | 90.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129.6 | -177.8 | -55 | 174.1 | 0 | 0 | 0 | 108 | M377 E378 D472 A475 L476 R570 L572 | M377-I624 HydrophobicContact CB-CG2 3.86Å; E378-I624 CarbonylContact O-C 3.57Å; E378-I624 WeakPolarHBondContact O-CA 3.28Å; D472-I624 HydrophobicContact CB-CD1 4.02Å; A475-I624 HydrophobicContact CB-CG2 4.31Å; L476-I624 HydrophobicContact CD2-CD1 3.84Å; L476-I624 HydrophobicContact CD2-CG1 4.32Å; L476-I624 HydrophobicContact CG-CD1 3.95Å; R570-I624 HydrophobicContact CB-CB 4.42Å; R570-I624 WeakPolarHBondContact CB-O 3.34Å; R570-I624 PolarHBondContact N-O 2.82Å; R570-I624 PolarHBondContact O-N 3.12Å; L572-I624 HydrophobicContact CD1-CD1 4.46Å |
| 625 | E | 88.8 | Confident | 91.6 | Very high | 38 Ų | 38 | 27 Ų | 27 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128 | 173 | -169.9 | -179.2 | 174.1 | 0 | 0 | 109.6 | M377 E378 K380 L569 K627 | M377-E625 WeakPolarHBondContact CA-O 3.49Å; E378-E625 PolarHBondContact N-O 3.5Å; E378-E625 PolarHBondContact O-N 3.22Å; K380-E625 HydrophobicContact CB-CB 4.13Å; K380-E625 VanDerWaalsContact CD-OE2 3.24Å; K380-E625 WeakPolarHBondContact CD-OE2 3.44Å; K380-E625 VanDerWaalsContact CE-OE2 3.32Å; K380-E625 WeakPolarHBondContact CE-OE2 3.42Å; K380-E625 IonicContact NZ-OE2 2.88Å; K380-E625 PolarHBondContact NZ-OE2 3.21Å; L569-E625 HydrophobicContact CD2-CB 3.6Å; L569-E625 HydrophobicContact CD2-CG 3.94Å; E625-K627 PolarHBondContact O-N 3.44Å |
| 626 | D | 87.9 | Confident | 91.7 | Very high | 6 Ų | 6 | 22.1 Ų | 22.1 | 3% | 0.032 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 96.3 | 162.7 | -174.7 | -1.7 | 0 | 0 | 0 | 107.5 | K368 M377 R570 L628 I660 | K368-D626 IonicContact NZ-OD2 3.01Å; K368-D626 PolarHBondContact NZ-OD2 2.56Å; K368-D626 VanDerWaalsContact NZ-OD2 3.07Å; M377-D626 HydrophobicContact CE-CB 4.07Å; M377-D626 HydrophobicContact SD-CB 3.64Å; R570-D626 IonicContact CZ-OD2 2.72Å; R570-D626 IonicContact NH2-OD2 3.46Å; R570-D626 PolarHBondContact NH2-OD2 3.44Å; D626-L628 PolarHBondContact O-N 3.22Å; D626-I660 HydrophobicContact CB-CD1 3.92Å |
| 627 | K | 88.5 | Confident | 91.6 | Very high | 65 Ų | 65 | 23.8 Ų | 23.8 | 28% | 0.283 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 124.2 | -163.2 | -167.3 | 170.3 | -163.8 | 149.2 | 0 | 111.4 | T373 R374 V376 E378 E625 | T373-K627 CarbonylContact C-O 3.55Å; T373-K627 WeakPolarHBondContact CA-O 3.29Å; R374-K627 PolarHBondContact N-O 2.82Å; V376-K627 HydrophobicContact CB-CB 4.48Å; V376-K627 VanDerWaalsContact O-CB 3.29Å; V376-K627 WeakPolarHBondContact O-CB 3.25Å; V376-K627 PolarHBondContact O-N 3.31Å; E378-K627 IonicContact OE2-NZ 3.37Å; E378-K627 PolarHBondContact OE2-NZ 3.4Å; E625-K627 PolarHBondContact O-N 3.44Å |
| 628 | L | 91.4 | Very high | 91.6 | Very high | 18 Ų | 18 | 21.6 Ų | 21.6 | 9% | 0.094 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 156.7 | 175 | -60.3 | -177.9 | 0 | 0 | 0 | 112 | L372 T373 R374 D626 V632 P633 I660 | L372-L628 CarbonylContact O-C 3.41Å; L372-L628 WeakPolarHBondContact O-CA 3.41Å; T373-L628 HydrophobicContact CG2-CD2 4.15Å; R374-L628 PolarHBondContact NE-O 2.8Å; D626-L628 PolarHBondContact O-N 3.22Å; L628-V632 HydrophobicContact CB-CB 4.47Å; L628-P633 HydrophobicContact CD1-CG 3.89Å; L628-I660 HydrophobicContact CD2-CD1 4.01Å; L628-I660 HydrophobicContact CD2-CG2 4.27Å |
| 629 | Q | 90.3 | Very high | 91.6 | Very high | 20 Ų | 20 | 21.2 Ų | 21.2 | 9% | 0.093 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 155.4 | 166.2 | -63.1 | -164.8 | 3.4 | 0 | 0 | 110.9 | G370 T371 L372 R374 G631 V632 Q802 | G370-Q629 PolarHBondContact O-NE2 2.99Å; T371-Q629 VanDerWaalsContact O-CD 3.23Å; T371-Q629 PolarHBondContact O-NE2 2.82Å; L372-Q629 PolarHBondContact O-N 3.42Å; R374-Q629 HydrophobicContact CG-CB 4.44Å; R374-Q629 HydrophobicContact CG-CG 4.05Å; Q629-G631 PolarHBondContact O-N 3.2Å; Q629-V632 HydrophobicContact CB-CG2 3.63Å; Q629-V632 WeakPolarHBondContact O-CG2 3.35Å; Q629-V632 PolarHBondContact O-N 3.15Å; Q629-Q802 VanDerWaalsContact OE1-CA 3.29Å |
| 630 | T | 90.1 | Very high | 91.5 | Very high | 54 Ų | 54 | 23.1 Ų | 23.1 | 33% | 0.331 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 126.6 | -179.7 | -43.9 | 0 | 0 | 0 | 0 | 110.9 | R374 V632 R804 | R374-T630 PolarHBondContact NH2-OG1 3.09Å; T630-V632 VanDerWaalsContact C-N 3.32Å; T630-V632 PolarHBondContact O-N 2.9Å; T630-R804 WeakPolarHBondContact O-CB 3.4Å |
| 631 | G | 90.1 | Very high | 91.3 | Very high | 32 Ų | 32 | 29.7 Ų | 29.7 | 33% | 0.33 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 13.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q629 T635 | Q629-G631 PolarHBondContact O-N 3.2Å; G631-T635 WeakPolarHBondContact O-CB 3.41Å; G631-T635 PolarHBondContact O-N 3.13Å; G631-T635 PolarHBondContact O-OG1 3.45Å |
| 632 | V | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.2 | -51 | 176.5 | 169 | 0 | 0 | 0 | 0 | 112.4 | L372 L628 Q629 T630 H634 T635 I636 F803 | L372-V632 HydrophobicContact CD2-CG1 3.82Å; L628-V632 HydrophobicContact CB-CB 4.47Å; Q629-V632 HydrophobicContact CB-CG2 3.63Å; Q629-V632 WeakPolarHBondContact O-CG2 3.35Å; Q629-V632 PolarHBondContact O-N 3.15Å; T630-V632 VanDerWaalsContact C-N 3.32Å; T630-V632 PolarHBondContact O-N 2.9Å; V632-H634 VanDerWaalsContact C-N 3.34Å; V632-H634 PolarHBondContact O-N 3.24Å; V632-T635 PolarHBondContact O-N 3.2Å; V632-T635 VanDerWaalsContact O-N 3.14Å; V632-I636 HydrophobicContact CG1-CD1 3.66Å; V632-I636 HydrophobicContact CG1-CG1 4.35Å; V632-I636 WeakPolarHBondContact O-CG1 3.34Å; V632-I636 PolarHBondContact O-N 2.77Å; V632-F803 HydrophobicContact CB-CD1 4.43Å; V632-F803 HydrophobicContact CG1-CD1 4.33Å; V632-F803 HydrophobicContact CG2-CB 3.97Å; V632-F803 HydrophobicContact CG2-CD1 3.93Å; V632-F803 HydrophobicContact CG2-CG 4.18Å |
| 633 | P | 91.9 | Very high | 90.9 | Very high | 34 Ų | 34 | 30.1 Ų | 30.1 | 22% | 0.221 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | -178.2 | -23.2 | 34.2 | 0 | 0 | 0 | 112.7 | L628 T635 I636 S637 Q665 | L628-P633 HydrophobicContact CD1-CG 3.89Å; P633-T635 PolarHBondContact O-N 3.42Å; P633-I636 PolarHBondContact O-N 3Å; P633-S637 WeakPolarHBondContact O-CB 3.45Å; P633-S637 PolarHBondContact O-N 3.43Å; P633-Q665 HydrophobicContact CB-CG 4.23Å |
| 634 | H | 92.5 | Very high | 90.9 | Very high | 118 Ų | 118 | 30.3 Ų | 30.3 | 55% | 0.546 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 176.6 | -176.2 | 64.4 | 0 | 0 | 0 | 112 | V632 S637 N638 | V632-H634 VanDerWaalsContact C-N 3.34Å; V632-H634 PolarHBondContact O-N 3.24Å; H634-S637 PolarHBondContact O-N 3.37Å; H634-N638 PolarHBondContact CD2-ND2 3.03Å; H634-N638 PolarHBondContact CE1-ND2 2.88Å; H634-N638 PolarHBondContact NE2-ND2 3.24Å; H634-N638 PolarHBondContact O-N 2.84Å; H634-N638 PolarHBondContact O-ND2 2.78Å |
| 635 | T | 94.4 | Very high | 90.9 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.1 | -48.4 | 178.4 | -60 | 0 | 0 | 0 | 0 | 111.5 | G631 V632 P633 S637 N638 L639 F803 R804 N807 | G631-T635 WeakPolarHBondContact O-CB 3.41Å; G631-T635 PolarHBondContact O-N 3.13Å; G631-T635 PolarHBondContact O-OG1 3.45Å; V632-T635 PolarHBondContact O-N 3.2Å; V632-T635 VanDerWaalsContact O-N 3.14Å; P633-T635 PolarHBondContact O-N 3.42Å; T635-S637 VanDerWaalsContact C-N 3.32Å; T635-S637 PolarHBondContact O-N 2.86Å; T635-N638 PolarHBondContact O-N 2.89Å; T635-L639 HydrophobicContact CG2-CD1 3.84Å; T635-L639 HydrophobicContact CG2-CG 4.32Å; T635-L639 VanDerWaalsContact O-CG 3.25Å; T635-L639 WeakPolarHBondContact O-CG 3.38Å; T635-L639 PolarHBondContact O-N 3.01Å; T635-F803 HydrophobicContact CG2-CD1 3.97Å; T635-F803 HydrophobicContact CG2-CE1 3.72Å; T635-R804 WeakPolarHBondContact OG1-CA 3.22Å; T635-N807 HydrophobicContact CG2-CB 3.83Å |
| 636 | I | 93.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59 | -45.1 | 177.4 | -71.7 | 174.9 | 0 | 0 | 0 | 110.5 | L372 V632 P633 N638 L639 M640 I646 C664 L666 F803 | L372-I636 HydrophobicContact CD2-CD1 4.13Å; V632-I636 HydrophobicContact CG1-CD1 3.66Å; V632-I636 HydrophobicContact CG1-CG1 4.35Å; V632-I636 WeakPolarHBondContact O-CG1 3.34Å; V632-I636 PolarHBondContact O-N 2.77Å; P633-I636 PolarHBondContact O-N 3Å; I636-N638 PolarHBondContact O-N 2.86Å; I636-L639 PolarHBondContact O-N 2.75Å; I636-M640 HydrophobicContact CG2-CG 4.46Å; I636-M640 WeakPolarHBondContact O-CG 3.28Å; I636-M640 PolarHBondContact O-N 3.37Å; I636-I646 HydrophobicContact CB-CD1 4.24Å; I636-I646 HydrophobicContact CG1-CD1 4.13Å; I636-I646 HydrophobicContact CG2-CD1 3.88Å; I636-C664 HydrophobicContact CD1-CB 3.62Å; I636-L666 HydrophobicContact CG2-CD1 4.35Å; I636-F803 HydrophobicContact CD1-CE1 4.42Å; I636-F803 HydrophobicContact CG1-CE1 3.84Å; I636-F803 HydrophobicContact CG1-CZ 4.15Å |
| 637 | S | 91.2 | Very high | 91.5 | Very high | 35 Ų | 35 | 29 Ų | 29 | 25% | 0.245 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 176.8 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | P633 H634 T635 M640 R641 | P633-S637 WeakPolarHBondContact O-CB 3.45Å; P633-S637 PolarHBondContact O-N 3.43Å; H634-S637 PolarHBondContact O-N 3.37Å; T635-S637 VanDerWaalsContact C-N 3.32Å; T635-S637 PolarHBondContact O-N 2.86Å; S637-M640 PolarHBondContact O-N 3.17Å; S637-R641 VanDerWaalsContact O-CG 3.31Å; S637-R641 WeakPolarHBondContact O-CG 3.38Å; S637-R641 PolarHBondContact O-N 3.01Å |
| 638 | N | 92.3 | Very high | 91.8 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.064 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | 177.1 | -71.4 | -21.4 | 0 | 0 | 0 | 112.5 | H634 T635 I636 R641 A642 N807 L811 P890 | H634-N638 PolarHBondContact CD2-ND2 3.03Å; H634-N638 PolarHBondContact CE1-ND2 2.88Å; H634-N638 PolarHBondContact NE2-ND2 3.24Å; H634-N638 PolarHBondContact O-N 2.84Å; H634-N638 PolarHBondContact O-ND2 2.78Å; T635-N638 PolarHBondContact O-N 2.89Å; I636-N638 PolarHBondContact O-N 2.86Å; N638-R641 PolarHBondContact O-N 3.47Å; N638-A642 PolarHBondContact O-N 3.22Å; N638-N807 PolarHBondContact ND2-ND2 2.73Å; N638-L811 HydrophobicContact CB-CD1 4.44Å; N638-P890 HydrophobicContact CB-CB 4.46Å; N638-P890 HydrophobicContact CB-CG 3.82Å; N638-P890 WeakPolarHBondContact O-CB 3.31Å |
| 639 | L | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 178 | -67.2 | 172.5 | 0 | 0 | 0 | 111.8 | I364 T635 I636 R641 A642 G643 I644 I646 L806 L810 | I364-L639 HydrophobicContact CD1-CD1 3.9Å; I364-L639 HydrophobicContact CD1-CD2 4.46Å; T635-L639 HydrophobicContact CG2-CD1 3.84Å; T635-L639 HydrophobicContact CG2-CG 4.32Å; T635-L639 VanDerWaalsContact O-CG 3.25Å; T635-L639 WeakPolarHBondContact O-CG 3.38Å; T635-L639 PolarHBondContact O-N 3.01Å; I636-L639 PolarHBondContact O-N 2.75Å; L639-R641 VanDerWaalsContact C-N 3.34Å; L639-R641 PolarHBondContact O-N 2.6Å; L639-A642 WeakPolarHBondContact O-CB 3.42Å; L639-A642 PolarHBondContact O-N 2.77Å; L639-G643 PolarHBondContact O-N 3.01Å; L639-I644 HydrophobicContact CB-CB 4.46Å; L639-I644 HydrophobicContact CB-CD1 4.41Å; L639-I644 HydrophobicContact CD2-CD1 3.69Å; L639-I644 WeakPolarHBondContact O-CB 3.45Å; L639-I644 PolarHBondContact O-N 2.96Å; L639-I646 HydrophobicContact CB-CD1 4.08Å; L639-I646 HydrophobicContact CD1-CD1 4.34Å; L639-L806 HydrophobicContact CD1-CD2 4.15Å; L639-L810 HydrophobicContact CD2-CD1 3.84Å |
| 640 | M | 90.3 | Very high | 92 | Very high | 46 Ų | 46 | 24.5 Ų | 24.5 | 23% | 0.227 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 173.7 | -67.4 | -156.6 | -41.7 | 0 | 0 | 111.8 | I636 S637 A642 G643 I646 L666 | I636-M640 HydrophobicContact CG2-CG 4.46Å; I636-M640 WeakPolarHBondContact O-CG 3.28Å; I636-M640 PolarHBondContact O-N 3.37Å; S637-M640 PolarHBondContact O-N 3.17Å; M640-A642 VanDerWaalsContact C-N 3.3Å; M640-A642 PolarHBondContact O-N 2.92Å; M640-G643 PolarHBondContact O-N 2.76Å; M640-I646 HydrophobicContact CG-CD1 4.38Å; M640-L666 HydrophobicContact SD-CD1 4.3Å |
| 641 | R | 89.2 | Confident | 91.6 | Very high | 138 Ų | 138 | 23 Ų | 23 | 52% | 0.521 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -64.6 | -34.8 | 174.6 | -70.3 | 174.7 | 98.2 | 143.1 | 11.5 | 112.4 | S637 N638 L639 G643 P890 E891 K894 | S637-R641 VanDerWaalsContact O-CG 3.31Å; S637-R641 WeakPolarHBondContact O-CG 3.38Å; S637-R641 PolarHBondContact O-N 3.01Å; N638-R641 PolarHBondContact O-N 3.47Å; L639-R641 VanDerWaalsContact C-N 3.34Å; L639-R641 PolarHBondContact O-N 2.6Å; R641-G643 PolarHBondContact O-N 2.85Å; R641-G643 VanDerWaalsContact O-N 3.15Å; R641-P890 HydrophobicContact CB-CB 4.29Å; R641-E891 IonicContact NE-OE1 2.97Å; R641-K894 WeakPolarHBondContact O-CE 3.36Å |
| 642 | A | 90 | Very high | 91.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -6.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N638 L639 M640 I644 L811 P890 Y893 K894 Q897 | N638-A642 PolarHBondContact O-N 3.22Å; L639-A642 WeakPolarHBondContact O-CB 3.42Å; L639-A642 PolarHBondContact O-N 2.77Å; M640-A642 VanDerWaalsContact C-N 3.3Å; M640-A642 PolarHBondContact O-N 2.92Å; A642-I644 HydrophobicContact CB-CD1 4.22Å; A642-I644 HydrophobicContact CB-CG1 4.34Å; A642-L811 HydrophobicContact CB-CD2 3.68Å; A642-P890 WeakPolarHBondContact CA-O 3.05Å; A642-P890 HydrophobicContact CB-CB 3.91Å; A642-P890 WeakPolarHBondContact CB-O 3.28Å; A642-Y893 HydrophobicContact CB-CD1 4.15Å; A642-Y893 HydrophobicContact CB-CG 4.35Å; A642-K894 WeakPolarHBondContact O-CG 3.3Å; A642-Q897 PolarHBondContact O-OE1 3.46Å |
| 643 | G | 87.9 | Confident | 90.5 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 9% | 0.093 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 25.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L639 M640 R641 Q897 | L639-G643 PolarHBondContact O-N 3.01Å; M640-G643 PolarHBondContact O-N 2.76Å; R641-G643 PolarHBondContact O-N 2.85Å; R641-G643 VanDerWaalsContact O-N 3.15Å; G643-Q897 PolarHBondContact O-NE2 3.18Å |
| 644 | I | 91.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | trans | -98.3 | 125.1 | 175.8 | -57.5 | 167.8 | 0 | 0 | 0 | 108.7 | R362 I364 L639 A642 L810 Y893 | R362-I644 WeakPolarHBondContact O-CA 3.47Å; I364-I644 HydrophobicContact CB-CG2 4.32Å; I364-I644 HydrophobicContact CD1-CG2 3.5Å; I364-I644 HydrophobicContact CG1-CG2 3.56Å; L639-I644 HydrophobicContact CB-CB 4.46Å; L639-I644 HydrophobicContact CB-CD1 4.41Å; L639-I644 HydrophobicContact CD2-CD1 3.69Å; L639-I644 WeakPolarHBondContact O-CB 3.45Å; L639-I644 PolarHBondContact O-N 2.96Å; A642-I644 HydrophobicContact CB-CD1 4.22Å; A642-I644 HydrophobicContact CB-CG1 4.34Å; I644-L810 HydrophobicContact CD1-CD1 4.28Å; I644-Y893 HydrophobicContact CD1-CD1 4.16Å; I644-Y893 HydrophobicContact CD1-CE1 3.8Å; I644-Y893 HydrophobicContact CG1-CD1 4.36Å; I644-Y893 HydrophobicContact CG1-CE1 4.07Å | ||
| 645 | S | 90.5 | Very high | 89.6 | Confident | 15 Ų | 15 | 20.9 Ų | 20.9 | 11% | 0.105 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.2 | 175.1 | -58.8 | 0 | 0 | 0 | 0 | 109.9 | R362 Y363 I364 | R362-S645 PolarHBondContact O-N 3.06Å; Y363-S645 WeakPolarHBondContact CA-O 3.31Å; I364-S645 PolarHBondContact N-O 3.49Å |
| 646 | I | 93.9 | Very high | 88.9 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.9 | -176.5 | -60.6 | 166.4 | 0 | 0 | 0 | 109.3 | I364 I636 L639 M640 L666 | I364-I646 HydrophobicContact CB-CG1 4.25Å; I364-I646 CarbonylContact O-C 3.57Å; I364-I646 WeakPolarHBondContact O-CA 3.32Å; I636-I646 HydrophobicContact CB-CD1 4.24Å; I636-I646 HydrophobicContact CG1-CD1 4.13Å; I636-I646 HydrophobicContact CG2-CD1 3.88Å; L639-I646 HydrophobicContact CB-CD1 4.08Å; L639-I646 HydrophobicContact CD1-CD1 4.34Å; M640-I646 HydrophobicContact CG-CD1 4.38Å; I646-L666 HydrophobicContact CB-CD1 3.99Å; I646-L666 HydrophobicContact CG2-CD1 4.3Å |
| 647 | W | 95.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.1 | 178.3 | -67.2 | 24.7 | 0 | 0 | 0 | 108 | I364 F365 S366 A730 L731 V736 L749 V753 | I364-W647 PolarHBondContact O-N 3.31Å; F365-W647 CarbonylContact C-O 3.52Å; F365-W647 WeakPolarHBondContact CA-O 3.42Å; F365-W647 HydrophobicContact CD1-CB 3.83Å; F365-W647 HydrophobicContact CD1-CD2 4.42Å; F365-W647 HydrophobicContact CD1-CE3 4.18Å; F365-W647 HydrophobicContact CD1-CG 4.35Å; F365-W647 HydrophobicContact CE1-CB 4.17Å; F365-W647 AromaticContact CE1-CD2 3.85Å; F365-W647 HydrophobicContact CE1-CD2 3.85Å; F365-W647 AromaticContact CE1-CE3 3.49Å; F365-W647 HydrophobicContact CE1-CE3 3.49Å; F365-W647 VanDerWaalsContact CE1-CE3 3.49Å; F365-W647 HydrophobicContact CE1-CG 4.19Å; F365-W647 HydrophobicContact CE1-CZ3 4.11Å; F365-W647 HydrophobicContact CZ-CE3 4.44Å; S366-W647 PolarHBondContact N-O 3.23Å; W647-A730 HydrophobicContact CH2-CB 3.55Å; W647-A730 HydrophobicContact CZ2-CB 4.02Å; W647-A730 HydrophobicContact CZ3-CB 4.26Å; W647-L731 HydrophobicContact CH2-CD2 4.46Å; W647-L731 HydrophobicContact CZ2-CD2 4.11Å; W647-V736 CarbonylContact C-O 3.57Å; W647-V736 WeakPolarHBondContact CA-O 3.07Å; W647-V736 HydrophobicContact CB-CB 4.34Å; W647-V736 HydrophobicContact CD2-CB 3.7Å; W647-V736 HydrophobicContact CD2-CG1 4.35Å; W647-V736 HydrophobicContact CD2-CG2 3.81Å; W647-V736 HydrophobicContact CE3-CB 4.04Å; W647-V736 HydrophobicContact CE3-CG1 4.18Å; W647-V736 HydrophobicContact CE3-CG2 4.28Å; W647-V736 HydrophobicContact CG-CB 3.81Å; W647-V736 HydrophobicContact CG-CG2 4.2Å; W647-V736 HydrophobicContact CH2-CG2 4.39Å; W647-V736 HydrophobicContact CZ2-CG2 3.88Å; W647-L749 HydrophobicContact CE3-CD2 4.27Å; W647-L749 HydrophobicContact CZ3-CD1 4.16Å; W647-L749 HydrophobicContact CZ3-CD2 4.4Å; W647-L749 HydrophobicContact CZ3-CG 4.32Å; W647-V753 HydrophobicContact CH2-CG2 3.78Å; W647-V753 HydrophobicContact CZ3-CG2 3.77Å |
| 648 | V | 95.1 | Very high | 88.4 | Confident | 8 Ų | 8 | 19.5 Ų | 19.5 | 5% | 0.048 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117.5 | 179.6 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | S366 K368 L372 L666 V736 I737 C738 | S366-V648 CarbonylContact O-C 3.53Å; S366-V648 WeakPolarHBondContact O-CA 3.32Å; K368-V648 HydrophobicContact CB-CG1 4.26Å; L372-V648 HydrophobicContact CD1-CG1 4.4Å; L372-V648 HydrophobicContact CD1-CG2 4.14Å; V648-L666 HydrophobicContact CG2-CD2 3.56Å; V648-V736 PolarHBondContact N-O 3.04Å; V648-I737 HydrophobicContact CB-CG1 4.41Å; V648-I737 HydrophobicContact CB-CG2 4.49Å; V648-I737 CarbonylContact O-C 3.53Å; V648-I737 WeakPolarHBondContact O-CA 3.37Å; V648-C738 PolarHBondContact O-N 2.58Å |
| 649 | L | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 105.1 | 180 | -50.4 | -174.7 | 0 | 0 | 0 | 108.2 | F365 S366 C738 K746 L749 V750 M774 | F365-L649 HydrophobicContact CB-CD1 4.2Å; F365-L649 HydrophobicContact CD1-CD1 3.93Å; F365-L649 HydrophobicContact CD1-CG 4.4Å; F365-L649 HydrophobicContact CG-CD1 4.44Å; S366-L649 PolarHBondContact O-N 3.25Å; L649-C738 HydrophobicContact CD2-CB 3.77Å; L649-K746 HydrophobicContact CB-CD 4.41Å; L649-K746 HydrophobicContact CB-CG 4.1Å; L649-K746 HydrophobicContact CD1-CB 4.33Å; L649-K746 WeakPolarHBondContact O-CE 3.4Å; L649-K746 PolarHBondContact O-NZ 2.87Å; L649-L749 HydrophobicContact CD1-CD2 3.97Å; L649-L749 HydrophobicContact CD2-CD2 3.4Å; L649-L749 HydrophobicContact CG-CD2 4.35Å; L649-V750 HydrophobicContact CD1-CG2 4.44Å; L649-M774 HydrophobicContact CB-SD 4.47Å; L649-M774 HydrophobicContact CD1-SD 3.89Å |
| 650 | T | 90.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -124.5 | 147.6 | -173.9 | -172.7 | 0 | 0 | 0 | 0 | 112.4 | K368 D652 A657 C738 C739 R740 V741 | K368-T650 WeakPolarHBondContact CB-OG1 3.45Å; T650-D652 VanDerWaalsContact C-N 3.26Å; T650-D652 HydrophobicContact CG2-CB 4.32Å; T650-D652 PolarHBondContact OG1-N 3.19Å; T650-D652 VanDerWaalsContact OG1-N 3.14Å; T650-A657 HydrophobicContact CG2-CB 3.77Å; T650-C738 PolarHBondContact N-O 2.83Å; T650-C739 CarbonylContact O-C 3.5Å; T650-R740 PolarHBondContact O-N 3.26Å; T650-V741 PolarHBondContact O-N 3.36Å | ||
| 651 | G | 82.6 | Confident | 87.8 | Confident | 22 Ų | 22 | 17.5 Ų | 17.5 | 23% | 0.227 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -77.3 | -11 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 652 | D | 80.3 | Confident | 87.7 | Confident | 11 Ų | 11 | 14.1 Ų | 14.1 | 6% | 0.059 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -74.3 | 167.5 | -176.5 | -92.1 | -13.4 | 0 | 0 | 0 | 113.9 | K368 T650 T656 R740 | K368-D652 HydrophobicContact CD-CB 4.47Å; K368-D652 WeakPolarHBondContact CE-OD2 3.47Å; K368-D652 IonicContact NZ-OD2 2.71Å; K368-D652 PolarHBondContact NZ-OD2 3.06Å; T650-D652 VanDerWaalsContact C-N 3.26Å; T650-D652 HydrophobicContact CG2-CB 4.32Å; T650-D652 PolarHBondContact OG1-N 3.19Å; T650-D652 VanDerWaalsContact OG1-N 3.14Å; D652-T656 HydrophobicContact CB-CG2 4.37Å; D652-R740 PolarHBondContact O-N 2.72Å |
| 653 | K | 79.3 | Confident | 87.5 | Confident | 44 Ų | 44 | 15.2 Ų | 15.2 | 19% | 0.191 | 8% | 0.084 | C | C | . | . | trans | -60.8 | 152.1 | 173.4 | -58.6 | -174 | -175.7 | -177.4 | 0 | 111.2 | E655 T656 A657 E1126 | K653-E655 PolarHBondContact O-N 3.35Å; K653-T656 PolarHBondContact O-N 3.38Å; K653-A657 PolarHBondContact O-N 3.38Å; K653-A657 VanDerWaalsContact O-N 3.14Å; K653-E1126 IonicContact NZ-OE1 2.72Å; K653-E1126 PolarHBondContact NZ-OE1 3.32Å; K653-E1126 VanDerWaalsContact NZ-OE1 3.13Å | ||
| 654 | Q | 84.3 | Confident | 87.6 | Confident | 33 Ų | 33 | 14.9 Ų | 14.9 | 15% | 0.154 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | -175.6 | 179.2 | -176.6 | -17 | 0 | 0 | 112.8 | T656 A657 I658 T675 N677 I708 C739 | Q654-T656 VanDerWaalsContact C-N 3.32Å; Q654-T656 PolarHBondContact O-N 2.9Å; Q654-A657 WeakPolarHBondContact O-CB 3.46Å; Q654-A657 PolarHBondContact O-N 3.29Å; Q654-A657 VanDerWaalsContact O-N 3.12Å; Q654-I658 HydrophobicContact CG-CD1 3.83Å; Q654-I658 HydrophobicContact CG-CG1 4.42Å; Q654-I658 WeakPolarHBondContact O-CG1 3.45Å; Q654-I658 PolarHBondContact O-N 3.41Å; Q654-T675 VanDerWaalsContact NE2-CG2 3.27Å; Q654-N677 PolarHBondContact OE1-ND2 2.96Å; Q654-N677 PolarHBondContact OE1-OD1 3.37Å; Q654-I708 HydrophobicContact CG-CG2 3.82Å; Q654-C739 HydrophobicContact CB-CB 4.17Å |
| 655 | E | 81.1 | Confident | 87.3 | Confident | 51 Ų | 51 | 19.5 Ų | 19.5 | 24% | 0.238 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | -177.1 | -56 | 90.1 | 159 | 0 | 0 | 111 | K653 A657 I658 N659 Y1120 A1121 | K653-E655 PolarHBondContact O-N 3.35Å; E655-A657 PolarHBondContact O-N 2.98Å; E655-I658 PolarHBondContact O-N 2.8Å; E655-N659 WeakPolarHBondContact O-CB 3.43Å; E655-N659 PolarHBondContact O-N 3.41Å; E655-Y1120 VanDerWaalsContact CB-O 3.32Å; E655-Y1120 WeakPolarHBondContact CB-O 3.28Å; E655-A1121 HydrophobicContact CB-CB 4.44Å |
| 656 | T | 81.2 | Confident | 87.1 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.012 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 173.9 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | K368 D652 K653 Q654 N659 I660 | K368-T656 HydrophobicContact CD-CG2 4.31Å; K368-T656 VanDerWaalsContact NZ-CG2 3.31Å; D652-T656 HydrophobicContact CB-CG2 4.37Å; K653-T656 PolarHBondContact O-N 3.38Å; Q654-T656 VanDerWaalsContact C-N 3.32Å; Q654-T656 PolarHBondContact O-N 2.9Å; T656-N659 PolarHBondContact O-N 2.81Å; T656-I660 WeakPolarHBondContact O-CG1 3.44Å; T656-I660 PolarHBondContact O-N 3.08Å |
| 657 | A | 86.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 2% | 0.017 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.8 | -38.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T650 K653 Q654 E655 G661 I737 | T650-A657 HydrophobicContact CG2-CB 3.77Å; K653-A657 PolarHBondContact O-N 3.38Å; K653-A657 VanDerWaalsContact O-N 3.14Å; Q654-A657 WeakPolarHBondContact O-CB 3.46Å; Q654-A657 PolarHBondContact O-N 3.29Å; Q654-A657 VanDerWaalsContact O-N 3.12Å; E655-A657 PolarHBondContact O-N 2.98Å; A657-G661 PolarHBondContact O-N 2.69Å; A657-I737 HydrophobicContact CB-CG2 3.71Å |
| 658 | I | 87.1 | Confident | 86 | Confident | 9 Ų | 9 | 21.3 Ų | 21.3 | 5% | 0.046 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.5 | -46.8 | 175.4 | -66.9 | 168.2 | 0 | 0 | 0 | 110.6 | Q654 E655 I660 G661 Y662 L667 I708 | Q654-I658 HydrophobicContact CG-CD1 3.83Å; Q654-I658 HydrophobicContact CG-CG1 4.42Å; Q654-I658 WeakPolarHBondContact O-CG1 3.45Å; Q654-I658 PolarHBondContact O-N 3.41Å; E655-I658 PolarHBondContact O-N 2.8Å; I658-I660 PolarHBondContact O-N 3.1Å; I658-G661 WeakPolarHBondContact O-CA 3.37Å; I658-G661 PolarHBondContact O-N 2.99Å; I658-Y662 HydrophobicContact CG2-CD2 3.85Å; I658-Y662 HydrophobicContact CG2-CE2 3.56Å; I658-Y662 VanDerWaalsContact O-CD2 3.32Å; I658-Y662 WeakPolarHBondContact O-CD2 3.41Å; I658-Y662 PolarHBondContact O-N 3.09Å; I658-L667 HydrophobicContact CG2-CD1 4.24Å; I658-I708 HydrophobicContact CD1-CD1 3.79Å; I658-I708 HydrophobicContact CG1-CD1 3.78Å |
| 659 | N | 85.3 | Confident | 85.1 | Confident | 7 Ų | 7 | 27.8 Ų | 27.8 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.3 | -47.8 | 177.2 | -76.5 | -15.9 | 0 | 0 | 0 | 111.4 | E655 T656 G661 Y662 S663 G1119 | E655-N659 WeakPolarHBondContact O-CB 3.43Å; E655-N659 PolarHBondContact O-N 3.41Å; T656-N659 PolarHBondContact O-N 2.81Å; N659-G661 VanDerWaalsContact C-N 3.3Å; N659-G661 PolarHBondContact O-N 3.18Å; N659-Y662 PolarHBondContact O-N 3.04Å; N659-S663 PolarHBondContact O-N 3.05Å; N659-S663 PolarHBondContact O-OG 3.49Å; N659-S663 VanDerWaalsContact O-OG 3.08Å; N659-G1119 PolarHBondContact ND2-O 3.32Å; N659-G1119 VanDerWaalsContact ND2-O 3.08Å |
| 660 | I | 88.5 | Confident | 84.2 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -36.7 | 174 | -66.5 | -56.7 | 0 | 0 | 0 | 111.7 | K368 L372 T373 D626 L628 T656 I658 Y662 S663 C664 | K368-I660 HydrophobicContact CD-CB 4.4Å; K368-I660 HydrophobicContact CD-CG1 3.92Å; K368-I660 HydrophobicContact CG-CB 4.27Å; K368-I660 HydrophobicContact CG-CG1 4.17Å; K368-I660 HydrophobicContact CG-CG2 3.89Å; L372-I660 HydrophobicContact CD1-CG2 4.39Å; T373-I660 HydrophobicContact CG2-CD1 3.6Å; T373-I660 HydrophobicContact CG2-CG1 4.15Å; D626-I660 HydrophobicContact CB-CD1 3.92Å; L628-I660 HydrophobicContact CD2-CD1 4.01Å; L628-I660 HydrophobicContact CD2-CG2 4.27Å; T656-I660 WeakPolarHBondContact O-CG1 3.44Å; T656-I660 PolarHBondContact O-N 3.08Å; I658-I660 PolarHBondContact O-N 3.1Å; I660-Y662 VanDerWaalsContact C-N 3.29Å; I660-Y662 PolarHBondContact O-N 3.39Å; I660-S663 PolarHBondContact O-N 3.49Å; I660-C664 WeakPolarHBondContact O-CB 3.24Å; I660-C664 PolarHBondContact O-N 2.9Å; I660-C664 PolarHBondContact O-SG 3.3Å; I660-C664 VanDerWaalsContact O-SG 3.36Å |
| 661 | G | 89.3 | Confident | 83.7 | Confident | 4 Ų | 4 | 32 Ų | 32 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.9 | -40.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | A657 I658 N659 L666 L667 | A657-G661 PolarHBondContact O-N 2.69Å; I658-G661 WeakPolarHBondContact O-CA 3.37Å; I658-G661 PolarHBondContact O-N 2.99Å; N659-G661 VanDerWaalsContact C-N 3.3Å; N659-G661 PolarHBondContact O-N 3.18Å; G661-L666 PolarHBondContact O-N 3.32Å; G661-L667 PolarHBondContact O-N 3.44Å |
| 662 | Y | 87.5 | Confident | 83.7 | Confident | 66 Ų | 66 | 32.2 Ų | 32.2 | 26% | 0.259 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -71.1 | -46.4 | 173.6 | -76.2 | -66.2 | 0 | 0 | 0 | 112.5 | I658 N659 I660 C664 Q665 L667 | I658-Y662 HydrophobicContact CG2-CD2 3.85Å; I658-Y662 HydrophobicContact CG2-CE2 3.56Å; I658-Y662 VanDerWaalsContact O-CD2 3.32Å; I658-Y662 WeakPolarHBondContact O-CD2 3.41Å; I658-Y662 PolarHBondContact O-N 3.09Å; N659-Y662 PolarHBondContact O-N 3.04Å; I660-Y662 VanDerWaalsContact C-N 3.29Å; I660-Y662 PolarHBondContact O-N 3.39Å; Y662-C664 VanDerWaalsContact C-N 3.27Å; Y662-C664 PolarHBondContact O-N 3.46Å; Y662-Q665 PolarHBondContact O-N 3.27Å; Y662-L667 HydrophobicContact CD1-CB 3.8Å; Y662-L667 HydrophobicContact CD2-CD1 4.36Å; Y662-L667 HydrophobicContact CE1-CB 3.83Å; Y662-L667 HydrophobicContact CE2-CD1 4.26Å; Y662-L667 HydrophobicContact CG-CB 4.19Å |
| 663 | S | 86.6 | Confident | 83.9 | Confident | 24 Ų | 24 | 34.3 Ų | 34.3 | 17% | 0.168 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.4 | -38.2 | 178.8 | -54.4 | 0 | 0 | 0 | 0 | 112.4 | G568 N659 I660 Q665 | G568-S663 WeakPolarHBondContact CA-OG 3.46Å; G568-S663 PolarHBondContact O-OG 2.92Å; N659-S663 PolarHBondContact O-N 3.05Å; N659-S663 PolarHBondContact O-OG 3.49Å; N659-S663 VanDerWaalsContact O-OG 3.08Å; I660-S663 PolarHBondContact O-N 3.49Å; S663-Q665 PolarHBondContact O-N 3.29Å |
| 664 | C | 88.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -5.1 | 177.8 | -76.5 | 0 | 0 | 0 | 0 | 114.3 | I636 I660 Y662 L666 | I636-C664 HydrophobicContact CD1-CB 3.62Å; I660-C664 WeakPolarHBondContact O-CB 3.24Å; I660-C664 PolarHBondContact O-N 2.9Å; I660-C664 PolarHBondContact O-SG 3.3Å; I660-C664 VanDerWaalsContact O-SG 3.36Å; Y662-C664 VanDerWaalsContact C-N 3.27Å; Y662-C664 PolarHBondContact O-N 3.46Å; C664-L666 HydrophobicContact CB-CB 4.48Å; C664-L666 PolarHBondContact O-N 3.34Å |
| 665 | Q | 85.2 | Confident | 84.5 | Confident | 101 Ų | 101 | 34.3 Ų | 34.3 | 47% | 0.472 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 21.8 | -170.2 | -56.8 | -179.7 | -12.5 | 0 | 0 | 114.1 | P633 Y662 S663 | P633-Q665 HydrophobicContact CB-CG 4.23Å; Y662-Q665 PolarHBondContact O-N 3.27Å; S663-Q665 PolarHBondContact O-N 3.29Å |
| 666 | L | 87.2 | Confident | 84.7 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -71.5 | -43.6 | 170.1 | -175.8 | 68.7 | 0 | 0 | 0 | 109.4 | I636 M640 I646 V648 G661 C664 I737 | I636-L666 HydrophobicContact CG2-CD1 4.35Å; M640-L666 HydrophobicContact SD-CD1 4.3Å; I646-L666 HydrophobicContact CB-CD1 3.99Å; I646-L666 HydrophobicContact CG2-CD1 4.3Å; V648-L666 HydrophobicContact CG2-CD2 3.56Å; G661-L666 PolarHBondContact O-N 3.32Å; C664-L666 HydrophobicContact CB-CB 4.48Å; C664-L666 PolarHBondContact O-N 3.34Å; L666-I737 HydrophobicContact CD2-CD1 4.31Å; L666-I737 HydrophobicContact CD2-CG1 4.26Å |
| 667 | L | 86.4 | Confident | 85 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -95.8 | 132.6 | 171 | -56 | -179.7 | 0 | 0 | 0 | 109.2 | I658 G661 Y662 L673 A706 I737 | I658-L667 HydrophobicContact CG2-CD1 4.24Å; G661-L667 PolarHBondContact O-N 3.44Å; Y662-L667 HydrophobicContact CD1-CB 3.8Å; Y662-L667 HydrophobicContact CD2-CD1 4.36Å; Y662-L667 HydrophobicContact CE1-CB 3.83Å; Y662-L667 HydrophobicContact CE2-CD1 4.26Å; Y662-L667 HydrophobicContact CG-CB 4.19Å; L667-L673 HydrophobicContact CD1-CD2 4.04Å; L667-L673 HydrophobicContact CD2-CD2 3.83Å; L667-L673 HydrophobicContact CG-CD2 4.43Å; L667-A706 HydrophobicContact CD2-CB 3.42Å; L667-A706 VanDerWaalsContact CD2-CB 3.42Å; L667-I737 HydrophobicContact CD1-CD1 3.8Å; L667-I737 HydrophobicContact CD2-CD1 4.09Å; L667-I737 HydrophobicContact CG-CD1 4.03Å |
| 668 | T | 80.6 | Confident | 84.9 | Confident | 51 Ų | 51 | 35.8 Ų | 35.8 | 31% | 0.313 | 19% | 0.194 | S | C | . | . | trans | -127 | 155.6 | 173.7 | 53.2 | 0 | 0 | 0 | 0 | 108.5 | S670 I671 | T668-S670 PolarHBondContact O-N 2.92Å; T668-S670 PolarHBondContact OG1-OG 3.48Å; T668-I671 PolarHBondContact O-N 3.46Å; T668-I671 VanDerWaalsContact OG1-CD1 3.3Å; T668-I671 WeakPolarHBondContact OG1-CD1 3.48Å; T668-I671 WeakPolarHBondContact OG1-CG1 3.22Å | ||
| 669 | Q | 74.8 | Confident | 84.8 | Confident | 144 Ų | 144 | 43.8 Ų | 43.8 | 67% | 0.673 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.6 | -179.2 | -64.4 | 177.1 | -0.3 | 0 | 0 | 113.7 | ||
| 670 | S | 75.6 | Confident | 85 | Confident | 83 Ų | 83 | 45.4 Ų | 45.4 | 58% | 0.58 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -25.5 | 173.6 | 43.7 | 0 | 0 | 0 | 0 | 113.9 | T668 | T668-S670 PolarHBondContact O-N 2.92Å; T668-S670 PolarHBondContact OG1-OG 3.48Å |
| 671 | I | 79.4 | Confident | 84.9 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -84.5 | 131.5 | -177.5 | -63.5 | 169.7 | 0 | 0 | 0 | 108.5 | T668 D704 A706 K734 | T668-I671 PolarHBondContact O-N 3.46Å; T668-I671 VanDerWaalsContact OG1-CD1 3.3Å; T668-I671 WeakPolarHBondContact OG1-CD1 3.48Å; T668-I671 WeakPolarHBondContact OG1-CG1 3.22Å; I671-D704 WeakPolarHBondContact CA-O 3.47Å; I671-D704 HydrophobicContact CG1-CB 4.49Å; I671-A706 HydrophobicContact CG2-CB 3.69Å; I671-K734 HydrophobicContact CD1-CD 4.23Å |
| 672 | S | 82.4 | Confident | 84.9 | Confident | 26 Ų | 26 | 52.8 Ų | 52.8 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 133.9 | 176.5 | -53.7 | 0 | 0 | 0 | 0 | 109.8 | D704 F705 A706 R1083 | S672-D704 PolarHBondContact N-O 3.32Å; S672-F705 WeakPolarHBondContact O-CA 3.33Å; S672-A706 PolarHBondContact O-N 3.46Å; S672-R1083 PolarHBondContact OG-NH2 3.49Å |
| 673 | L | 85.5 | Confident | 85 | Confident | 56 Ų | 56 | 54.1 Ų | 54.1 | 29% | 0.293 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125.3 | -178 | -55.4 | -177.7 | 0 | 0 | 0 | 110.3 | L667 A706 I708 | L667-L673 HydrophobicContact CD1-CD2 4.04Å; L667-L673 HydrophobicContact CD2-CD2 3.83Å; L667-L673 HydrophobicContact CG-CD2 4.43Å; L673-A706 HydrophobicContact CD2-CB 3.89Å; L673-I708 HydrophobicContact CB-CD1 4.09Å; L673-I708 HydrophobicContact CD1-CD1 4.08Å; L673-I708 HydrophobicContact CD2-CD1 4.24Å; L673-I708 HydrophobicContact CG-CD1 4.36Å |
| 674 | L | 87.4 | Confident | 85 | Confident | 22 Ų | 22 | 53 Ų | 53 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 109.2 | 171.8 | -61.5 | 173.8 | 0 | 0 | 0 | 107.6 | L691 F695 F705 A706 L707 I708 | L674-L691 HydrophobicContact CD1-CD2 4.33Å; L674-L691 HydrophobicContact CD2-CD2 3.98Å; L674-F695 HydrophobicContact CD1-CE2 4.13Å; L674-F695 HydrophobicContact CD1-CZ 3.75Å; L674-F705 HydrophobicContact CD1-CB 3.95Å; L674-F705 HydrophobicContact CD1-CD1 4.15Å; L674-F705 HydrophobicContact CD1-CG 4.2Å; L674-F705 HydrophobicContact CD2-CD1 4.36Å; L674-F705 HydrophobicContact CG-CB 4.42Å; L674-F705 HydrophobicContact CG-CD1 4.18Å; L674-A706 PolarHBondContact N-O 3.36Å; L674-L707 HydrophobicContact CB-CD1 4.14Å; L674-L707 CarbonylContact O-C 3.54Å; L674-I708 PolarHBondContact O-N 3.46Å |
| 675 | T | 87.5 | Confident | 85 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 34% | 0.337 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.6 | -178.2 | -58.2 | 0 | 0 | 0 | 0 | 110.5 | Q654 | Q654-T675 VanDerWaalsContact NE2-CG2 3.27Å |
| 676 | M | 86.5 | Confident | 85.2 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 100.8 | 177.2 | -70.8 | -174.1 | 62.1 | 0 | 0 | 110.8 | T684 L688 L691 L707 I708 D710 T713 | M676-T684 HydrophobicContact CE-CG2 3.99Å; M676-L688 HydrophobicContact CE-CD2 3.69Å; M676-L688 HydrophobicContact CE-CG 3.76Å; M676-L688 HydrophobicContact SD-CD2 3.85Å; M676-L691 HydrophobicContact CG-CD1 4.39Å; M676-L691 HydrophobicContact SD-CD1 4.08Å; M676-L707 HydrophobicContact CG-CD1 4.22Å; M676-L707 HydrophobicContact SD-CD1 4Å; M676-I708 PolarHBondContact N-O 3.13Å; M676-D710 PolarHBondContact O-N 3.04Å; M676-T713 HydrophobicContact CB-CG2 4.06Å; M676-T713 HydrophobicContact CE-CG2 4.05Å; M676-T713 PolarHBondContact O-OG1 3.16Å |
| 677 | N | 86.2 | Confident | 85.1 | Confident | 81 Ų | 81 | 63 Ų | 63 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | trans | -124.5 | 75.5 | 178.6 | -68.5 | -9.9 | 0 | 0 | 0 | 109.8 | Q654 | Q654-N677 PolarHBondContact OE1-ND2 2.96Å; Q654-N677 PolarHBondContact OE1-OD1 3.37Å | ||
| 678 | T | 85.9 | Confident | 85.2 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | trans | -99.8 | 148.8 | -178.8 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | Q683 T684 Q687 T713 | T678-Q683 HydrophobicContact CG2-CB 4.07Å; T678-T684 WeakPolarHBondContact CB-OG1 3.31Å; T678-T684 PolarHBondContact OG1-OG1 3.37Å; T678-Q687 HydrophobicContact CG2-CG 4.41Å; T678-T713 PolarHBondContact N-OG1 3.38Å; T678-T713 PolarHBondContact O-OG1 2.93Å; T678-T713 VanDerWaalsContact O-OG1 3.14Å; T678-T713 WeakPolarHBondContact OG1-CG2 3.47Å; T678-T713 PolarHBondContact OG1-OG1 2.97Å; T678-T713 VanDerWaalsContact OG1-OG1 3.04Å | ||
| 679 | K | 85.5 | Confident | 85.5 | Confident | 177 Ų | 177 | 62.5 Ų | 62.5 | 77% | 0.77 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -101.8 | -13.5 | 178.5 | -64.7 | -176.1 | 179.3 | -179.1 | 0 | 113.5 | ||
| 680 | S | 88.4 | Confident | 86.1 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 28% | 0.28 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -136.2 | 159.1 | -178.5 | 70.3 | 0 | 0 | 0 | 0 | 112.6 | Q683 T684 | S680-Q683 VanDerWaalsContact OG-CG 3.27Å; S680-Q683 WeakPolarHBondContact OG-CG 3.17Å; S680-Q683 PolarHBondContact OG-N 3.35Å; S680-T684 PolarHBondContact O-N 3.46Å; S680-T684 VanDerWaalsContact O-N 3.14Å; S680-T684 PolarHBondContact O-OG1 3Å |
| 681 | L | 87.7 | Confident | 86.4 | Confident | 44 Ų | 44 | 56.4 Ų | 56.4 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 178 | -174.5 | 154.4 | 0 | 0 | 0 | 111.8 | Q683 T684 R685 F716 L719 | L681-Q683 PolarHBondContact O-N 2.94Å; L681-T684 WeakPolarHBondContact O-CB 3.37Å; L681-T684 PolarHBondContact O-N 3.27Å; L681-T684 VanDerWaalsContact O-N 3.1Å; L681-R685 PolarHBondContact O-N 3.48Å; L681-F716 HydrophobicContact CB-CD1 4.23Å; L681-F716 HydrophobicContact CB-CG 4.49Å; L681-L719 HydrophobicContact CD1-CD1 3.64Å |
| 682 | D | 88.6 | Confident | 86.7 | Confident | 120 Ų | 120 | 57.9 Ų | 57.9 | 64% | 0.642 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | -178.1 | -62.2 | -36.7 | 0 | 0 | 0 | 112.2 | T684 R685 E686 | D682-T684 VanDerWaalsContact C-N 3.3Å; D682-T684 PolarHBondContact O-N 3.44Å; D682-R685 PolarHBondContact O-N 2.95Å; D682-E686 WeakPolarHBondContact O-CB 3.36Å; D682-E686 PolarHBondContact O-N 3.03Å |
| 683 | Q | 88.8 | Confident | 86.7 | Confident | 94 Ų | 94 | 63.2 Ų | 63.2 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 174.7 | -73.4 | 175 | 0.8 | 0 | 0 | 111.6 | T678 S680 L681 R685 Q687 | T678-Q683 HydrophobicContact CG2-CB 4.07Å; S680-Q683 VanDerWaalsContact OG-CG 3.27Å; S680-Q683 WeakPolarHBondContact OG-CG 3.17Å; S680-Q683 PolarHBondContact OG-N 3.35Å; L681-Q683 PolarHBondContact O-N 2.94Å; Q683-R685 VanDerWaalsContact C-N 3.34Å; Q683-Q687 WeakPolarHBondContact O-CB 3.15Å; Q683-Q687 WeakPolarHBondContact O-CG 3.19Å; Q683-Q687 PolarHBondContact O-N 2.94Å |
| 684 | T | 87.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 178 | -49.2 | 0 | 0 | 0 | 0 | 110.7 | M676 T678 S680 L681 D682 L688 T713 F716 A717 | M676-T684 HydrophobicContact CE-CG2 3.99Å; T678-T684 WeakPolarHBondContact CB-OG1 3.31Å; T678-T684 PolarHBondContact OG1-OG1 3.37Å; S680-T684 PolarHBondContact O-N 3.46Å; S680-T684 VanDerWaalsContact O-N 3.14Å; S680-T684 PolarHBondContact O-OG1 3Å; L681-T684 WeakPolarHBondContact O-CB 3.37Å; L681-T684 PolarHBondContact O-N 3.27Å; L681-T684 VanDerWaalsContact O-N 3.1Å; D682-T684 VanDerWaalsContact C-N 3.3Å; D682-T684 PolarHBondContact O-N 3.44Å; T684-L688 HydrophobicContact CG2-CD1 4.22Å; T684-L688 WeakPolarHBondContact O-CB 3.38Å; T684-L688 VanDerWaalsContact O-CG 3.27Å; T684-L688 WeakPolarHBondContact O-CG 3.34Å; T684-L688 PolarHBondContact O-N 3.43Å; T684-T713 HydrophobicContact CG2-CG2 3.95Å; T684-F716 HydrophobicContact CG2-CB 4.4Å; T684-A717 HydrophobicContact CG2-CB 4.36Å |
| 685 | R | 88.3 | Confident | 86 | Confident | 115 Ų | 115 | 62.6 Ų | 62.6 | 43% | 0.434 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 178.5 | -174.5 | 178.8 | 180 | 155.2 | 0.6 | 112 | L681 D682 Q683 Q687 L688 V689 E721 | L681-R685 PolarHBondContact O-N 3.48Å; D682-R685 PolarHBondContact O-N 2.95Å; Q683-R685 VanDerWaalsContact C-N 3.34Å; R685-Q687 PolarHBondContact O-N 3.28Å; R685-L688 PolarHBondContact O-N 2.86Å; R685-V689 WeakPolarHBondContact O-CG2 3.46Å; R685-V689 PolarHBondContact O-N 3.5Å; R685-E721 IonicContact NH1-OE2 2.72Å |
| 686 | E | 88.8 | Confident | 85.3 | Confident | 126 Ų | 126 | 61.6 Ų | 61.6 | 59% | 0.589 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.6 | -45.4 | 179.2 | -171.3 | 179 | -176.5 | 0 | 0 | 111.2 | D682 L688 V689 N690 | D682-E686 WeakPolarHBondContact O-CB 3.36Å; D682-E686 PolarHBondContact O-N 3.03Å; E686-L688 PolarHBondContact O-N 2.65Å; E686-V689 PolarHBondContact O-N 3.24Å; E686-N690 WeakPolarHBondContact O-CB 3.19Å; E686-N690 PolarHBondContact O-N 3.27Å; E686-N690 PolarHBondContact O-ND2 3.41Å; E686-N690 PolarHBondContact O-OD1 3.1Å |
| 687 | Q | 86.5 | Confident | 84.6 | Confident | 74 Ų | 74 | 69.6 Ų | 69.6 | 35% | 0.346 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 175.7 | -74.6 | -171.4 | -8.2 | 0 | 0 | 112.7 | T678 Q683 R685 N690 L691 | T678-Q687 HydrophobicContact CG2-CG 4.41Å; Q683-Q687 WeakPolarHBondContact O-CB 3.15Å; Q683-Q687 WeakPolarHBondContact O-CG 3.19Å; Q683-Q687 PolarHBondContact O-N 2.94Å; R685-Q687 PolarHBondContact O-N 3.28Å; Q687-N690 PolarHBondContact O-N 2.88Å; Q687-L691 WeakPolarHBondContact O-CB 3.23Å; Q687-L691 VanDerWaalsContact O-CG 3.28Å; Q687-L691 WeakPolarHBondContact O-CG 3.4Å; Q687-L691 PolarHBondContact O-N 2.89Å |
| 688 | L | 87.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 177.2 | -75.5 | 172.8 | 0 | 0 | 0 | 112 | M676 T684 R685 E686 L691 I692 C722 Q725 F726 V729 | M676-L688 HydrophobicContact CE-CD2 3.69Å; M676-L688 HydrophobicContact CE-CG 3.76Å; M676-L688 HydrophobicContact SD-CD2 3.85Å; T684-L688 HydrophobicContact CG2-CD1 4.22Å; T684-L688 WeakPolarHBondContact O-CB 3.38Å; T684-L688 VanDerWaalsContact O-CG 3.27Å; T684-L688 WeakPolarHBondContact O-CG 3.34Å; T684-L688 PolarHBondContact O-N 3.43Å; R685-L688 PolarHBondContact O-N 2.86Å; E686-L688 PolarHBondContact O-N 2.65Å; L688-L691 PolarHBondContact O-N 3.43Å; L688-I692 WeakPolarHBondContact O-CB 3.46Å; L688-I692 WeakPolarHBondContact O-CD1 3.35Å; L688-I692 WeakPolarHBondContact O-CG1 3.43Å; L688-I692 PolarHBondContact O-N 2.93Å; L688-C722 HydrophobicContact CD1-CB 3.97Å; L688-Q725 HydrophobicContact CB-CB 4.34Å; L688-Q725 HydrophobicContact CD1-CB 4.39Å; L688-F726 HydrophobicContact CD1-CB 4.1Å; L688-F726 HydrophobicContact CD2-CB 4.36Å; L688-F726 HydrophobicContact CD2-CD2 4.34Å; L688-V729 HydrophobicContact CD2-CB 4.44Å; L688-V729 HydrophobicContact CD2-CG2 4.16Å |
| 689 | V | 87.2 | Confident | 82.6 | Confident | 44 Ų | 44 | 71.3 Ų | 71.3 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 177.2 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | R685 E686 L691 I692 E693 | R685-V689 WeakPolarHBondContact O-CG2 3.46Å; R685-V689 PolarHBondContact O-N 3.5Å; E686-V689 PolarHBondContact O-N 3.24Å; V689-L691 VanDerWaalsContact C-N 3.32Å; V689-L691 PolarHBondContact O-N 3.31Å; V689-I692 PolarHBondContact O-N 2.75Å; V689-I692 VanDerWaalsContact O-N 3.16Å; V689-E693 WeakPolarHBondContact O-CG 3.21Å; V689-E693 PolarHBondContact O-N 3.14Å |
| 690 | N | 86.9 | Confident | 81.6 | Confident | 74 Ų | 74 | 71 Ų | 71 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 177.2 | -66.9 | -15.8 | 0 | 0 | 0 | 111.8 | E686 Q687 I692 E693 D694 | E686-N690 WeakPolarHBondContact O-CB 3.19Å; E686-N690 PolarHBondContact O-N 3.27Å; E686-N690 PolarHBondContact O-ND2 3.41Å; E686-N690 PolarHBondContact O-OD1 3.1Å; Q687-N690 PolarHBondContact O-N 2.88Å; N690-I692 PolarHBondContact O-N 3.44Å; N690-E693 PolarHBondContact O-N 3.42Å; N690-D694 WeakPolarHBondContact O-CB 3.48Å; N690-D694 VanDerWaalsContact O-CG 3.31Å; N690-D694 PolarHBondContact O-N 3.48Å |
| 691 | L | 83.5 | Confident | 80.6 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 13% | 0.131 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 176.7 | -73 | 173.5 | 0 | 0 | 0 | 112.2 | L674 M676 Q687 L688 V689 D694 F695 V729 | L674-L691 HydrophobicContact CD1-CD2 4.33Å; L674-L691 HydrophobicContact CD2-CD2 3.98Å; M676-L691 HydrophobicContact CG-CD1 4.39Å; M676-L691 HydrophobicContact SD-CD1 4.08Å; Q687-L691 WeakPolarHBondContact O-CB 3.23Å; Q687-L691 VanDerWaalsContact O-CG 3.28Å; Q687-L691 WeakPolarHBondContact O-CG 3.4Å; Q687-L691 PolarHBondContact O-N 2.89Å; L688-L691 PolarHBondContact O-N 3.43Å; V689-L691 VanDerWaalsContact C-N 3.32Å; V689-L691 PolarHBondContact O-N 3.31Å; L691-D694 PolarHBondContact O-N 2.96Å; L691-F695 WeakPolarHBondContact O-CD2 3.32Å; L691-F695 PolarHBondContact O-N 3.13Å; L691-V729 HydrophobicContact CB-CG2 4.24Å; L691-V729 HydrophobicContact CD1-CG1 4.27Å |
| 692 | I | 84 | Confident | 79.7 | Confident | 37 Ų | 37 | 77.3 Ų | 77.3 | 19% | 0.19 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 176.7 | -72.3 | 168.5 | 0 | 0 | 0 | 110.6 | L688 V689 N690 D694 F695 G696 I699 Q725 V729 | L688-I692 WeakPolarHBondContact O-CB 3.46Å; L688-I692 WeakPolarHBondContact O-CD1 3.35Å; L688-I692 WeakPolarHBondContact O-CG1 3.43Å; L688-I692 PolarHBondContact O-N 2.93Å; V689-I692 PolarHBondContact O-N 2.75Å; V689-I692 VanDerWaalsContact O-N 3.16Å; N690-I692 PolarHBondContact O-N 3.44Å; I692-D694 VanDerWaalsContact C-N 3.32Å; I692-D694 PolarHBondContact O-N 3.1Å; I692-F695 PolarHBondContact O-N 3.23Å; I692-G696 PolarHBondContact O-N 3.41Å; I692-I699 HydrophobicContact CG2-CD1 3.68Å; I692-Q725 HydrophobicContact CD1-CB 3.59Å; I692-Q725 HydrophobicContact CD1-CG 3.79Å; I692-V729 HydrophobicContact CD1-CG2 4.29Å; I692-V729 HydrophobicContact CG1-CG2 3.64Å |
| 693 | E | 83.6 | Confident | 78.9 | Confident | 138 Ų | 138 | 72.3 Ų | 72.3 | 65% | 0.645 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.9 | -40.7 | 174.5 | -71.2 | -176.3 | -179.8 | 0 | 0 | 111.6 | V689 N690 F695 G696 | V689-E693 WeakPolarHBondContact O-CG 3.21Å; V689-E693 PolarHBondContact O-N 3.14Å; N690-E693 PolarHBondContact O-N 3.42Å; E693-F695 PolarHBondContact O-N 3.32Å; E693-G696 PolarHBondContact O-N 3.27Å |
| 694 | D | 79.6 | Confident | 78.4 | Confident | 60 Ų | 60 | 71.2 Ų | 71.2 | 32% | 0.321 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 176 | -77.5 | -25 | 0 | 0 | 0 | 112.9 | N690 L691 I692 F1078 M1082 | N690-D694 WeakPolarHBondContact O-CB 3.48Å; N690-D694 VanDerWaalsContact O-CG 3.31Å; N690-D694 PolarHBondContact O-N 3.48Å; L691-D694 PolarHBondContact O-N 2.96Å; I692-D694 VanDerWaalsContact C-N 3.32Å; I692-D694 PolarHBondContact O-N 3.1Å; D694-F1078 WeakPolarHBondContact O-CZ 3.41Å; D694-M1082 HydrophobicContact CB-CE 3.75Å |
| 695 | F | 78.4 | Confident | 78.4 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 2% | 0.022 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.8 | -31.8 | 174.9 | -79.4 | -66.3 | 0 | 0 | 0 | 112.7 | L674 L691 I692 E693 D697 R698 I699 N703 F705 V729 | L674-F695 HydrophobicContact CD1-CE2 4.13Å; L674-F695 HydrophobicContact CD1-CZ 3.75Å; L691-F695 WeakPolarHBondContact O-CD2 3.32Å; L691-F695 PolarHBondContact O-N 3.13Å; I692-F695 PolarHBondContact O-N 3.23Å; E693-F695 PolarHBondContact O-N 3.32Å; F695-D697 PolarHBondContact O-N 3.37Å; F695-R698 WeakPolarHBondContact O-CB 3.49Å; F695-R698 PolarHBondContact O-N 2.95Å; F695-I699 HydrophobicContact CB-CG1 3.83Å; F695-N703 HydrophobicContact CE1-CB 4.41Å; F695-F705 AromaticContact CE1-CD2 3.57Å; F695-F705 HydrophobicContact CE1-CD2 3.57Å; F695-F705 AromaticContact CE1-CE2 3.82Å; F695-F705 HydrophobicContact CE1-CE2 3.82Å; F695-F705 HydrophobicContact CE1-CG 4.25Å; F695-F705 HydrophobicContact CZ-CD2 4.1Å; F695-F705 HydrophobicContact CZ-CG 4.34Å; F695-V729 HydrophobicContact CE2-CG1 4.16Å |
| 696 | G | 73.6 | Confident | 78.4 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 36% | 0.361 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | 52.1 | -128.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | I692 E693 R698 I699 | I692-G696 PolarHBondContact O-N 3.41Å; E693-G696 PolarHBondContact O-N 3.27Å; G696-R698 PolarHBondContact O-N 3.3Å; G696-R698 VanDerWaalsContact O-N 3.09Å; G696-I699 WeakPolarHBondContact O-CD1 3.45Å; G696-I699 VanDerWaalsContact O-CG1 3.23Å; G696-I699 WeakPolarHBondContact O-CG1 3.5Å; G696-I699 PolarHBondContact O-N 3.19Å |
| 697 | D | 70.7 | Confident | 78.6 | Confident | 170 Ų | 170 | 60.1 Ų | 60.1 | 91% | 0.909 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -67.6 | -7.9 | -179.8 | -64.3 | -30.5 | 0 | 0 | 0 | 114.6 | F695 I699 | F695-D697 PolarHBondContact O-N 3.37Å; D697-I699 VanDerWaalsContact C-N 3.31Å |
| 698 | R | 65.7 | Low | 78.9 | Confident | 65 Ų | 65 | 56.6 Ų | 56.6 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -90.3 | 8.8 | -178.1 | -58.6 | -176.6 | -179.6 | -170.1 | 1 | 113.6 | F695 G696 R700 M701 N703 F1078 | F695-R698 WeakPolarHBondContact O-CB 3.49Å; F695-R698 PolarHBondContact O-N 2.95Å; G696-R698 PolarHBondContact O-N 3.3Å; G696-R698 VanDerWaalsContact O-N 3.09Å; R698-R700 PolarHBondContact O-N 2.87Å; R698-M701 WeakPolarHBondContact O-CB 3.44Å; R698-M701 PolarHBondContact O-N 3.13Å; R698-M701 VanDerWaalsContact O-N 3.13Å; R698-N703 PolarHBondContact O-ND2 3.29Å; R698-N703 VanDerWaalsContact O-ND2 3.15Å; R698-F1078 VanDerWaalsContact NH1-CB 3.28Å; R698-F1078 VanDerWaalsContact NH1-CG 3.27Å |
| 699 | I | 64.6 | Low | 79.1 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 28% | 0.282 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 133.7 | 173.2 | -66.7 | 160.6 | 0 | 0 | 0 | 109.3 | I692 F695 G696 D697 M701 D728 | I692-I699 HydrophobicContact CG2-CD1 3.68Å; F695-I699 HydrophobicContact CB-CG1 3.83Å; G696-I699 WeakPolarHBondContact O-CD1 3.45Å; G696-I699 VanDerWaalsContact O-CG1 3.23Å; G696-I699 WeakPolarHBondContact O-CG1 3.5Å; G696-I699 PolarHBondContact O-N 3.19Å; D697-I699 VanDerWaalsContact C-N 3.31Å; I699-M701 PolarHBondContact O-N 2.88Å; I699-D728 HydrophobicContact CG2-CB 4Å |
| 700 | R | 65.2 | Low | 79.2 | Confident | 169 Ų | 169 | 55.6 Ų | 55.6 | 64% | 0.638 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 15.3 | -175 | -59.7 | 170.2 | -180 | -179.3 | 4.3 | 115.3 | R698 D728 S732 | R698-R700 PolarHBondContact O-N 2.87Å; R700-D728 IonicContact CZ-OD1 3.68Å; R700-D728 IonicContact NE-OD1 2.78Å; R700-D728 PolarHBondContact NE-OD1 3.28Å; R700-D728 IonicContact NH2-OD1 3.72Å; R700-D728 PolarHBondContact NH2-OD1 3.25Å; R700-D728 IonicContact NH2-OD2 2.74Å; R700-S732 PolarHBondContact N-OG 3.45Å |
| 701 | M | 67.5 | Low | 79.2 | Confident | 107 Ų | 107 | 52.3 Ų | 52.3 | 53% | 0.527 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -96 | 147.3 | 164.7 | -56.8 | -165.1 | 89.2 | 0 | 0 | 110.3 | R698 I699 N703 S732 | R698-M701 WeakPolarHBondContact O-CB 3.44Å; R698-M701 PolarHBondContact O-N 3.13Å; R698-M701 VanDerWaalsContact O-N 3.13Å; I699-M701 PolarHBondContact O-N 2.88Å; M701-N703 PolarHBondContact O-N 3.4Å; M701-N703 PolarHBondContact O-ND2 3.14Å; M701-S732 WeakPolarHBondContact O-CA 3.37Å; M701-S732 VanDerWaalsContact O-O 3.1Å |
| 702 | E | 67.7 | Low | 79.4 | Confident | 111 Ų | 111 | 56.5 Ų | 56.5 | 52% | 0.519 | 28% | 0.279 | S | S | . | . | trans | -67.7 | 99.8 | 173.4 | -68.5 | 176.2 | -174.4 | 0 | 0 | 109.7 | ||||
| 703 | N | 71.2 | Confident | 79.7 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.08 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 152 | 176.4 | -60 | -57 | 0 | 0 | 0 | 110.8 | F695 R698 M701 F705 S732 K734 | F695-N703 HydrophobicContact CE1-CB 4.41Å; R698-N703 PolarHBondContact O-ND2 3.29Å; R698-N703 VanDerWaalsContact O-ND2 3.15Å; M701-N703 PolarHBondContact O-N 3.4Å; M701-N703 PolarHBondContact O-ND2 3.14Å; N703-F705 HydrophobicContact CB-CD2 3.54Å; N703-F705 HydrophobicContact CB-CE2 3.97Å; N703-F705 PolarHBondContact O-N 3.13Å; N703-S732 WeakPolarHBondContact CB-O 3.27Å; N703-S732 PolarHBondContact N-O 3.46Å; N703-S732 VanDerWaalsContact N-O 3.12Å; N703-K734 WeakPolarHBondContact O-CB 3.19Å; N703-K734 PolarHBondContact O-N 2.96Å |
| 704 | D | 79.6 | Confident | 80 | Confident | 71 Ų | 71 | 48.2 Ų | 48.2 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 52.3 | 178.6 | -65.9 | -47.6 | 0 | 0 | 0 | 112.1 | I671 S672 K734 | I671-D704 WeakPolarHBondContact CA-O 3.47Å; I671-D704 HydrophobicContact CG1-CB 4.49Å; S672-D704 PolarHBondContact N-O 3.32Å; D704-K734 IonicContact OD1-NZ 3.21Å |
| 705 | F | 86.4 | Confident | 80.5 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 148.6 | 171.7 | -62.8 | -84.7 | 0 | 0 | 0 | 110.5 | S672 L674 F695 N703 K734 F1078 M1082 | S672-F705 WeakPolarHBondContact O-CA 3.33Å; L674-F705 HydrophobicContact CD1-CB 3.95Å; L674-F705 HydrophobicContact CD1-CD1 4.15Å; L674-F705 HydrophobicContact CD1-CG 4.2Å; L674-F705 HydrophobicContact CD2-CD1 4.36Å; L674-F705 HydrophobicContact CG-CB 4.42Å; L674-F705 HydrophobicContact CG-CD1 4.18Å; F695-F705 AromaticContact CE1-CD2 3.57Å; F695-F705 HydrophobicContact CE1-CD2 3.57Å; F695-F705 AromaticContact CE1-CE2 3.82Å; F695-F705 HydrophobicContact CE1-CE2 3.82Å; F695-F705 HydrophobicContact CE1-CG 4.25Å; F695-F705 HydrophobicContact CZ-CD2 4.1Å; F695-F705 HydrophobicContact CZ-CG 4.34Å; N703-F705 HydrophobicContact CB-CD2 3.54Å; N703-F705 HydrophobicContact CB-CE2 3.97Å; N703-F705 PolarHBondContact O-N 3.13Å; F705-K734 PolarHBondContact O-N 3.09Å; F705-F1078 HydrophobicContact CE2-CE1 4.45Å; F705-F1078 HydrophobicContact CZ-CE1 4.32Å; F705-M1082 HydrophobicContact CE1-CE 4.42Å; F705-M1082 HydrophobicContact CE1-SD 3.77Å; F705-M1082 HydrophobicContact CZ-CE 3.9Å; F705-M1082 HydrophobicContact CZ-SD 3.64Å |
| 706 | A | 89.4 | Confident | 81 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | L667 I671 S672 L673 L674 S735 | L667-A706 HydrophobicContact CD2-CB 3.42Å; L667-A706 VanDerWaalsContact CD2-CB 3.42Å; I671-A706 HydrophobicContact CG2-CB 3.69Å; S672-A706 PolarHBondContact O-N 3.46Å; L673-A706 HydrophobicContact CD2-CB 3.89Å; L674-A706 PolarHBondContact N-O 3.36Å; A706-S735 VanDerWaalsContact CA-O 3.24Å; A706-S735 WeakPolarHBondContact CA-O 3.35Å; A706-S735 VanDerWaalsContact CB-OG 3.24Å; A706-S735 WeakPolarHBondContact CB-OG 3.48Å |
| 707 | L | 92 | Very high | 81.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127 | 178.5 | -177.9 | 67.2 | 0 | 0 | 0 | 110 | L674 M676 V709 F726 V729 A730 C733 S735 V736 I737 | L674-L707 HydrophobicContact CB-CD1 4.14Å; L674-L707 CarbonylContact O-C 3.54Å; M676-L707 HydrophobicContact CG-CD1 4.22Å; M676-L707 HydrophobicContact SD-CD1 4Å; L707-V709 HydrophobicContact CD1-CG2 4.2Å; L707-V709 HydrophobicContact CD2-CG2 3.82Å; L707-V709 HydrophobicContact CG-CG2 3.62Å; L707-F726 HydrophobicContact CD2-CE2 4.03Å; L707-V729 HydrophobicContact CD1-CG1 4.3Å; L707-V729 HydrophobicContact CD2-CG1 4.28Å; L707-A730 HydrophobicContact CD2-CB 4.06Å; L707-C733 HydrophobicContact CB-CB 4.22Å; L707-S735 PolarHBondContact N-O 3.37Å; L707-V736 HydrophobicContact CB-CG1 4.3Å; L707-V736 HydrophobicContact CB-CG2 4.26Å; L707-V736 HydrophobicContact CD2-CG1 4.26Å; L707-V736 CarbonylContact O-C 3.55Å; L707-V736 WeakPolarHBondContact O-CA 3.46Å; L707-I737 PolarHBondContact O-N 3.09Å |
| 708 | I | 92.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 122.9 | 175.6 | -58.7 | 163.2 | 0 | 0 | 0 | 108 | Q654 I658 L673 L674 M676 I737 | Q654-I708 HydrophobicContact CG-CG2 3.82Å; I658-I708 HydrophobicContact CD1-CD1 3.79Å; I658-I708 HydrophobicContact CG1-CD1 3.78Å; L673-I708 HydrophobicContact CB-CD1 4.09Å; L673-I708 HydrophobicContact CD1-CD1 4.08Å; L673-I708 HydrophobicContact CD2-CD1 4.24Å; L673-I708 HydrophobicContact CG-CD1 4.36Å; L674-I708 PolarHBondContact O-N 3.46Å; M676-I708 PolarHBondContact N-O 3.13Å; I708-I737 VanDerWaalsContact CA-O 3.3Å; I708-I737 WeakPolarHBondContact CA-O 3.48Å |
| 709 | V | 91.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130 | -174.1 | -167.5 | 0 | 0 | 0 | 0 | 110 | L707 T713 L714 F726 I737 C738 C739 | L707-V709 HydrophobicContact CD1-CG2 4.2Å; L707-V709 HydrophobicContact CD2-CG2 3.82Å; L707-V709 HydrophobicContact CG-CG2 3.62Å; V709-T713 HydrophobicContact CG1-CG2 4.01Å; V709-L714 HydrophobicContact CG1-CB 4.11Å; V709-F726 HydrophobicContact CG1-CE2 4.49Å; V709-F726 HydrophobicContact CG2-CE2 4.03Å; V709-I737 PolarHBondContact N-O 3.19Å; V709-C738 CarbonylContact O-C 3.53Å; V709-C738 WeakPolarHBondContact O-CA 3.42Å; V709-C739 PolarHBondContact O-N 3.27Å |
| 710 | D | 89.4 | Confident | 84.2 | Confident | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 155.9 | 172.7 | -168.7 | 25.3 | 0 | 0 | 0 | 112.2 | M676 Q712 T713 L714 C739 | M676-D710 PolarHBondContact O-N 3.04Å; D710-Q712 VanDerWaalsContact C-N 3.28Å; D710-Q712 PolarHBondContact O-N 2.89Å; D710-T713 PolarHBondContact O-N 3.31Å; D710-L714 WeakPolarHBondContact O-CB 3.19Å; D710-L714 PolarHBondContact O-N 2.98Å; D710-C739 CarbonylContact C-O 3.56Å |
| 711 | G | 86.7 | Confident | 84.9 | Confident | 5 Ų | 5 | 46 Ų | 46 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -33 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E715 C739 Q745 | G711-E715 PolarHBondContact O-N 3.47Å; G711-E715 VanDerWaalsContact O-N 3.09Å; G711-C739 WeakPolarHBondContact CA-O 3.17Å; G711-C739 PolarHBondContact N-O 3.14Å; G711-Q745 PolarHBondContact O-NE2 3.47Å |
| 712 | Q | 87.5 | Confident | 85.8 | Confident | 112 Ų | 112 | 41 Ų | 41 | 52% | 0.523 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.6 | -46.2 | 175.2 | -65.2 | -176.7 | -0.2 | 0 | 0 | 111.4 | D710 L714 E715 F716 | D710-Q712 VanDerWaalsContact C-N 3.28Å; D710-Q712 PolarHBondContact O-N 2.89Å; Q712-L714 VanDerWaalsContact C-N 3.27Å; Q712-L714 PolarHBondContact O-N 3.35Å; Q712-E715 WeakPolarHBondContact O-CB 3.46Å; Q712-E715 PolarHBondContact O-N 2.75Å; Q712-F716 VanDerWaalsContact O-CD2 3.26Å; Q712-F716 WeakPolarHBondContact O-CD2 3.26Å; Q712-F716 PolarHBondContact O-N 3.39Å |
| 713 | T | 90.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 175.1 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | M676 T678 T684 V709 D710 E715 F716 A717 | M676-T713 HydrophobicContact CB-CG2 4.06Å; M676-T713 HydrophobicContact CE-CG2 4.05Å; M676-T713 PolarHBondContact O-OG1 3.16Å; T678-T713 PolarHBondContact N-OG1 3.38Å; T678-T713 PolarHBondContact O-OG1 2.93Å; T678-T713 VanDerWaalsContact O-OG1 3.14Å; T678-T713 WeakPolarHBondContact OG1-CG2 3.47Å; T678-T713 PolarHBondContact OG1-OG1 2.97Å; T678-T713 VanDerWaalsContact OG1-OG1 3.04Å; T684-T713 HydrophobicContact CG2-CG2 3.95Å; V709-T713 HydrophobicContact CG1-CG2 4.01Å; D710-T713 PolarHBondContact O-N 3.31Å; T713-E715 VanDerWaalsContact C-N 3.32Å; T713-E715 PolarHBondContact O-N 2.92Å; T713-F716 PolarHBondContact O-N 3.29Å; T713-A717 WeakPolarHBondContact O-CB 3.37Å; T713-A717 PolarHBondContact O-N 3.47Å |
| 714 | L | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -36.3 | 176.4 | -173.4 | 64.4 | 0 | 0 | 0 | 111.9 | V709 D710 Q712 F716 A717 L718 F726 C738 V741 Q745 L749 | V709-L714 HydrophobicContact CG1-CB 4.11Å; D710-L714 WeakPolarHBondContact O-CB 3.19Å; D710-L714 PolarHBondContact O-N 2.98Å; Q712-L714 VanDerWaalsContact C-N 3.27Å; Q712-L714 PolarHBondContact O-N 3.35Å; L714-F716 VanDerWaalsContact C-N 3.34Å; L714-F716 PolarHBondContact O-N 3.47Å; L714-A717 PolarHBondContact O-N 3.02Å; L714-L718 HydrophobicContact CD1-CD1 4.21Å; L714-L718 HydrophobicContact CD1-CD2 4.44Å; L714-L718 HydrophobicContact CD1-CG 4.02Å; L714-L718 HydrophobicContact CD2-CD1 4.36Å; L714-L718 HydrophobicContact CG-CD1 3.81Å; L714-L718 HydrophobicContact CG-CG 4.09Å; L714-L718 WeakPolarHBondContact O-CB 3.36Å; L714-L718 WeakPolarHBondContact O-CG 3.38Å; L714-L718 PolarHBondContact O-N 3.18Å; L714-F726 HydrophobicContact CD1-CE1 3.98Å; L714-F726 HydrophobicContact CD1-CE2 4.42Å; L714-F726 HydrophobicContact CD1-CZ 3.71Å; L714-C738 HydrophobicContact CD2-CB 4.44Å; L714-V741 HydrophobicContact CD2-CG1 3.98Å; L714-V741 HydrophobicContact CD2-CG2 4.06Å; L714-Q745 HydrophobicContact CD2-CB 4.34Å; L714-L749 HydrophobicContact CD1-CD1 4.45Å |
| 715 | E | 88.9 | Confident | 87.9 | Confident | 116 Ų | 116 | 45.2 Ų | 45.2 | 54% | 0.542 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.9 | -47.7 | 174.3 | -169.8 | 176.7 | 177.1 | 0 | 0 | 111.3 | G711 Q712 T713 L718 | G711-E715 PolarHBondContact O-N 3.47Å; G711-E715 VanDerWaalsContact O-N 3.09Å; Q712-E715 WeakPolarHBondContact O-CB 3.46Å; Q712-E715 PolarHBondContact O-N 2.75Å; T713-E715 VanDerWaalsContact C-N 3.32Å; T713-E715 PolarHBondContact O-N 2.92Å; E715-L718 PolarHBondContact O-N 3.22Å |
| 716 | F | 89.7 | Confident | 88.1 | Confident | 50 Ų | 50 | 45 Ų | 45 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.7 | -40.4 | 175.8 | -56.8 | -52 | 0 | 0 | 0 | 112.4 | L681 T684 Q712 T713 L714 L718 L719 | L681-F716 HydrophobicContact CB-CD1 4.23Å; L681-F716 HydrophobicContact CB-CG 4.49Å; T684-F716 HydrophobicContact CG2-CB 4.4Å; Q712-F716 VanDerWaalsContact O-CD2 3.26Å; Q712-F716 WeakPolarHBondContact O-CD2 3.26Å; Q712-F716 PolarHBondContact O-N 3.39Å; T713-F716 PolarHBondContact O-N 3.29Å; L714-F716 VanDerWaalsContact C-N 3.34Å; L714-F716 PolarHBondContact O-N 3.47Å; F716-L718 VanDerWaalsContact C-N 3.3Å; F716-L718 PolarHBondContact O-N 3.04Å; F716-L719 HydrophobicContact CD1-CD1 4.43Å; F716-L719 WeakPolarHBondContact O-CB 3.38Å; F716-L719 PolarHBondContact O-N 3.26Å |
| 717 | A | 88.8 | Confident | 88 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.7 | -27.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T684 T713 L714 L719 C722 R723 F726 | T684-A717 HydrophobicContact CG2-CB 4.36Å; T713-A717 WeakPolarHBondContact O-CB 3.37Å; T713-A717 PolarHBondContact O-N 3.47Å; L714-A717 PolarHBondContact O-N 3.02Å; A717-L719 VanDerWaalsContact C-N 3.33Å; A717-C722 CarbonylContact O-C 3.57Å; A717-R723 WeakPolarHBondContact O-CA 3.26Å; A717-R723 PolarHBondContact O-N 2.84Å; A717-F726 HydrophobicContact CB-CB 4.14Å; A717-F726 HydrophobicContact CB-CD1 4.44Å; A717-F726 HydrophobicContact CB-CD2 3.81Å; A717-F726 HydrophobicContact CB-CE2 4.34Å; A717-F726 HydrophobicContact CB-CG 3.86Å |
| 718 | L | 87.5 | Confident | 87.8 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -10.5 | 177.5 | -72 | 173.6 | 0 | 0 | 0 | 113.6 | L714 E715 F716 Q745 Q748 L749 L752 | L714-L718 HydrophobicContact CD1-CD1 4.21Å; L714-L718 HydrophobicContact CD1-CD2 4.44Å; L714-L718 HydrophobicContact CD1-CG 4.02Å; L714-L718 HydrophobicContact CD2-CD1 4.36Å; L714-L718 HydrophobicContact CG-CD1 3.81Å; L714-L718 HydrophobicContact CG-CG 4.09Å; L714-L718 WeakPolarHBondContact O-CB 3.36Å; L714-L718 WeakPolarHBondContact O-CG 3.38Å; L714-L718 PolarHBondContact O-N 3.18Å; E715-L718 PolarHBondContact O-N 3.22Å; F716-L718 VanDerWaalsContact C-N 3.3Å; F716-L718 PolarHBondContact O-N 3.04Å; L718-Q745 HydrophobicContact CD1-CG 4.44Å; L718-Q748 HydrophobicContact CD1-CB 4.36Å; L718-Q748 HydrophobicContact CD1-CG 4.18Å; L718-Q748 HydrophobicContact CD2-CG 4.36Å; L718-L749 HydrophobicContact CD2-CD1 4.35Å; L718-L752 HydrophobicContact CD2-CD2 3.76Å |
| 719 | L | 86.9 | Confident | 87.5 | Confident | 82 Ų | 82 | 47.3 Ų | 47.3 | 43% | 0.429 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -66.1 | 152.6 | 172.4 | -65.6 | 171.4 | 0 | 0 | 0 | 110.9 | L681 F716 A717 E721 C722 R723 | L681-L719 HydrophobicContact CD1-CD1 3.64Å; F716-L719 HydrophobicContact CD1-CD1 4.43Å; F716-L719 WeakPolarHBondContact O-CB 3.38Å; F716-L719 PolarHBondContact O-N 3.26Å; A717-L719 VanDerWaalsContact C-N 3.33Å; L719-E721 PolarHBondContact O-N 3.41Å; L719-C722 PolarHBondContact O-N 2.91Å; L719-R723 WeakPolarHBondContact O-CB 3.33Å; L719-R723 PolarHBondContact O-N 3.45Å; L719-R723 VanDerWaalsContact O-N 3.13Å |
| 720 | C | 77.2 | Confident | 87.4 | Confident | 120 Ų | 120 | 47.3 Ų | 47.3 | 81% | 0.811 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -34.3 | -169.6 | -160.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 721 | E | 80.9 | Confident | 87.3 | Confident | 129 Ų | 129 | 47.3 Ų | 47.3 | 60% | 0.603 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -37.7 | -174.9 | -59.4 | -175 | -176.9 | 0 | 0 | 114.2 | R685 L719 | R685-E721 IonicContact NH1-OE2 2.72Å; L719-E721 PolarHBondContact O-N 3.41Å |
| 722 | C | 86.2 | Confident | 87.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -9.6 | -175.9 | -65.2 | 0 | 0 | 0 | 0 | 112.9 | L688 A717 L719 E724 Q725 F726 | L688-C722 HydrophobicContact CD1-CB 3.97Å; A717-C722 CarbonylContact O-C 3.57Å; L719-C722 PolarHBondContact O-N 2.91Å; C722-E724 PolarHBondContact O-N 3.2Å; C722-Q725 PolarHBondContact O-N 3.42Å; C722-F726 WeakPolarHBondContact O-CB 3.3Å; C722-F726 PolarHBondContact O-N 3.4Å |
| 723 | R | 87.6 | Confident | 87.1 | Confident | 83 Ų | 83 | 42 Ų | 42 | 31% | 0.313 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -55.4 | -44.9 | -172 | 175.6 | -179.1 | 164.9 | 151.6 | 12.3 | 114.1 | A717 L719 L727 L752 | A717-R723 WeakPolarHBondContact O-CA 3.26Å; A717-R723 PolarHBondContact O-N 2.84Å; L719-R723 WeakPolarHBondContact O-CB 3.33Å; L719-R723 PolarHBondContact O-N 3.45Å; L719-R723 VanDerWaalsContact O-N 3.13Å; R723-L727 WeakPolarHBondContact O-CB 3.44Å; R723-L727 PolarHBondContact O-N 3.38Å; R723-L727 VanDerWaalsContact O-N 3.13Å; R723-L752 HydrophobicContact CG-CD1 3.48Å; R723-L752 VanDerWaalsContact CG-CD1 3.48Å; R723-L752 HydrophobicContact CG-CD2 4.21Å; R723-L752 VanDerWaalsContact CZ-CD1 3.41Å; R723-L752 VanDerWaalsContact NH2-CD1 3.32Å |
| 724 | E | 86.8 | Confident | 86.8 | Confident | 155 Ų | 155 | 45.2 Ų | 45.2 | 72% | 0.724 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -71.9 | -42.6 | -178.8 | -65.6 | -165.3 | 157.1 | 0 | 0 | 111.7 | C722 L727 D728 | C722-E724 PolarHBondContact O-N 3.2Å; E724-L727 PolarHBondContact O-N 2.93Å; E724-D728 PolarHBondContact O-N 3.14Å |
| 725 | Q | 87.4 | Confident | 86.7 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 23% | 0.229 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 177.6 | -67.9 | 179.9 | -28.4 | 0 | 0 | 111.5 | L688 I692 C722 L727 D728 V729 | L688-Q725 HydrophobicContact CB-CB 4.34Å; L688-Q725 HydrophobicContact CD1-CB 4.39Å; I692-Q725 HydrophobicContact CD1-CB 3.59Å; I692-Q725 HydrophobicContact CD1-CG 3.79Å; C722-Q725 PolarHBondContact O-N 3.42Å; Q725-L727 VanDerWaalsContact C-N 3.32Å; Q725-L727 PolarHBondContact O-N 3Å; Q725-D728 PolarHBondContact O-N 3.23Å; Q725-V729 WeakPolarHBondContact O-CG2 3.18Å; Q725-V729 PolarHBondContact O-N 3.18Å; Q725-V729 VanDerWaalsContact O-N 3.1Å |
| 726 | F | 90.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 175.2 | 174 | -105.7 | 0 | 0 | 0 | 111.9 | L688 L707 V709 L714 A717 C722 V729 A730 L749 L752 | L688-F726 HydrophobicContact CD1-CB 4.1Å; L688-F726 HydrophobicContact CD2-CB 4.36Å; L688-F726 HydrophobicContact CD2-CD2 4.34Å; L707-F726 HydrophobicContact CD2-CE2 4.03Å; V709-F726 HydrophobicContact CG1-CE2 4.49Å; V709-F726 HydrophobicContact CG2-CE2 4.03Å; L714-F726 HydrophobicContact CD1-CE1 3.98Å; L714-F726 HydrophobicContact CD1-CE2 4.42Å; L714-F726 HydrophobicContact CD1-CZ 3.71Å; A717-F726 HydrophobicContact CB-CB 4.14Å; A717-F726 HydrophobicContact CB-CD1 4.44Å; A717-F726 HydrophobicContact CB-CD2 3.81Å; A717-F726 HydrophobicContact CB-CE2 4.34Å; A717-F726 HydrophobicContact CB-CG 3.86Å; C722-F726 WeakPolarHBondContact O-CB 3.3Å; C722-F726 PolarHBondContact O-N 3.4Å; F726-V729 PolarHBondContact O-N 2.7Å; F726-A730 HydrophobicContact CZ-CB 4.49Å; F726-A730 VanDerWaalsContact O-CB 3.26Å; F726-A730 WeakPolarHBondContact O-CB 3.32Å; F726-A730 PolarHBondContact O-N 3.17Å; F726-L749 HydrophobicContact CE1-CD1 3.77Å; F726-L749 HydrophobicContact CZ-CD1 4.43Å; F726-L752 HydrophobicContact CD1-CD2 4.4Å |
| 727 | L | 88.8 | Confident | 87.1 | Confident | 16 Ų | 16 | 37.3 Ų | 37.3 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 178.6 | -178.7 | 70.7 | 0 | 0 | 0 | 111.5 | R723 E724 Q725 V729 A730 L731 L752 V753 S756 | R723-L727 WeakPolarHBondContact O-CB 3.44Å; R723-L727 PolarHBondContact O-N 3.38Å; R723-L727 VanDerWaalsContact O-N 3.13Å; E724-L727 PolarHBondContact O-N 2.93Å; Q725-L727 VanDerWaalsContact C-N 3.32Å; Q725-L727 PolarHBondContact O-N 3Å; L727-V729 VanDerWaalsContact C-N 3.33Å; L727-V729 PolarHBondContact O-N 3.38Å; L727-A730 PolarHBondContact O-N 3.31Å; L727-L731 HydrophobicContact CD1-CD1 3.88Å; L727-L731 HydrophobicContact CD1-CD2 4.31Å; L727-L731 HydrophobicContact CD1-CG 3.91Å; L727-L731 HydrophobicContact CD2-CD1 4.25Å; L727-L731 HydrophobicContact CG-CD1 3.72Å; L727-L731 HydrophobicContact CG-CG 4.1Å; L727-L731 WeakPolarHBondContact O-CB 3.16Å; L727-L731 WeakPolarHBondContact O-CG 3.28Å; L727-L731 PolarHBondContact O-N 2.95Å; L727-L752 HydrophobicContact CD1-CG 4.48Å; L727-V753 HydrophobicContact CD1-CG2 4.17Å; L727-S756 VanDerWaalsContact CD2-OG 3.25Å; L727-S756 WeakPolarHBondContact CD2-OG 3.31Å |
| 728 | D | 86.4 | Confident | 87.4 | Confident | 33 Ų | 33 | 37.3 Ų | 37.3 | 18% | 0.176 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 179.7 | -77.4 | -23.8 | 0 | 0 | 0 | 112.2 | I699 R700 E724 Q725 S732 | I699-D728 HydrophobicContact CG2-CB 4Å; R700-D728 IonicContact CZ-OD1 3.68Å; R700-D728 IonicContact NE-OD1 2.78Å; R700-D728 PolarHBondContact NE-OD1 3.28Å; R700-D728 IonicContact NH2-OD1 3.72Å; R700-D728 PolarHBondContact NH2-OD1 3.25Å; R700-D728 IonicContact NH2-OD2 2.74Å; E724-D728 PolarHBondContact O-N 3.14Å; Q725-D728 PolarHBondContact O-N 3.23Å; D728-S732 WeakPolarHBondContact O-CB 3.43Å; D728-S732 PolarHBondContact O-N 2.96Å; D728-S732 PolarHBondContact O-OG 3.08Å |
| 729 | V | 87.6 | Confident | 87.5 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.1 | -48.4 | 172.8 | 173.5 | 0 | 0 | 0 | 0 | 111 | L688 L691 I692 F695 L707 Q725 F726 L727 L731 S732 C733 | L688-V729 HydrophobicContact CD2-CB 4.44Å; L688-V729 HydrophobicContact CD2-CG2 4.16Å; L691-V729 HydrophobicContact CB-CG2 4.24Å; L691-V729 HydrophobicContact CD1-CG1 4.27Å; I692-V729 HydrophobicContact CD1-CG2 4.29Å; I692-V729 HydrophobicContact CG1-CG2 3.64Å; F695-V729 HydrophobicContact CE2-CG1 4.16Å; L707-V729 HydrophobicContact CD1-CG1 4.3Å; L707-V729 HydrophobicContact CD2-CG1 4.28Å; Q725-V729 WeakPolarHBondContact O-CG2 3.18Å; Q725-V729 PolarHBondContact O-N 3.18Å; Q725-V729 VanDerWaalsContact O-N 3.1Å; F726-V729 PolarHBondContact O-N 2.7Å; L727-V729 VanDerWaalsContact C-N 3.33Å; L727-V729 PolarHBondContact O-N 3.38Å; V729-L731 PolarHBondContact O-N 2.92Å; V729-S732 PolarHBondContact O-N 3.47Å; V729-S732 VanDerWaalsContact O-N 3.16Å; V729-C733 PolarHBondContact O-N 3.41Å; V729-C733 PolarHBondContact O-SG 3.5Å |
| 730 | A | 89 | Confident | 87.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.1 | -38 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W647 L707 F726 L727 S732 C733 V736 | W647-A730 HydrophobicContact CH2-CB 3.55Å; W647-A730 HydrophobicContact CZ2-CB 4.02Å; W647-A730 HydrophobicContact CZ3-CB 4.26Å; L707-A730 HydrophobicContact CD2-CB 4.06Å; F726-A730 HydrophobicContact CZ-CB 4.49Å; F726-A730 VanDerWaalsContact O-CB 3.26Å; F726-A730 WeakPolarHBondContact O-CB 3.32Å; F726-A730 PolarHBondContact O-N 3.17Å; L727-A730 PolarHBondContact O-N 3.31Å; A730-S732 VanDerWaalsContact C-N 3.31Å; A730-S732 PolarHBondContact O-N 3.3Å; A730-C733 PolarHBondContact O-N 3.06Å; A730-V736 HydrophobicContact CB-CG2 4.32Å |
| 731 | L | 86.9 | Confident | 88 | Confident | 24 Ų | 24 | 33 Ų | 33 | 13% | 0.126 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -74.1 | -20.2 | 176.6 | -65.7 | 177.6 | 0 | 0 | 0 | 113.7 | Y363 W647 L727 V729 C733 I757 | Y363-L731 HydrophobicContact CE1-CD2 3.96Å; W647-L731 HydrophobicContact CH2-CD2 4.46Å; W647-L731 HydrophobicContact CZ2-CD2 4.11Å; L727-L731 HydrophobicContact CD1-CD1 3.88Å; L727-L731 HydrophobicContact CD1-CD2 4.31Å; L727-L731 HydrophobicContact CD1-CG 3.91Å; L727-L731 HydrophobicContact CD2-CD1 4.25Å; L727-L731 HydrophobicContact CG-CD1 3.72Å; L727-L731 HydrophobicContact CG-CG 4.1Å; L727-L731 WeakPolarHBondContact O-CB 3.16Å; L727-L731 WeakPolarHBondContact O-CG 3.28Å; L727-L731 PolarHBondContact O-N 2.95Å; V729-L731 PolarHBondContact O-N 2.92Å; L731-C733 VanDerWaalsContact C-N 3.32Å; L731-I757 HydrophobicContact CD1-CD1 3.65Å; L731-I757 HydrophobicContact CD1-CG1 4.18Å; L731-I757 HydrophobicContact CD2-CD1 3.5Å; L731-I757 VanDerWaalsContact CD2-CD1 3.5Å; L731-I757 HydrophobicContact CG-CD1 4.22Å |
| 732 | S | 85.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -81 | -17.6 | 175 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | R700 M701 N703 D728 V729 A730 | R700-S732 PolarHBondContact N-OG 3.45Å; M701-S732 WeakPolarHBondContact O-CA 3.37Å; M701-S732 VanDerWaalsContact O-O 3.1Å; N703-S732 WeakPolarHBondContact CB-O 3.27Å; N703-S732 PolarHBondContact N-O 3.46Å; N703-S732 VanDerWaalsContact N-O 3.12Å; D728-S732 WeakPolarHBondContact O-CB 3.43Å; D728-S732 PolarHBondContact O-N 2.96Å; D728-S732 PolarHBondContact O-OG 3.08Å; V729-S732 PolarHBondContact O-N 3.47Å; V729-S732 VanDerWaalsContact O-N 3.16Å; A730-S732 VanDerWaalsContact C-N 3.31Å; A730-S732 PolarHBondContact O-N 3.3Å |
| 733 | C | 85.7 | Confident | 87.8 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 3% | 0.027 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 144.4 | 177.7 | -63.1 | 0 | 0 | 0 | 0 | 111 | L707 V729 A730 L731 V736 | L707-C733 HydrophobicContact CB-CB 4.22Å; V729-C733 PolarHBondContact O-N 3.41Å; V729-C733 PolarHBondContact O-SG 3.5Å; A730-C733 PolarHBondContact O-N 3.06Å; L731-C733 VanDerWaalsContact C-N 3.32Å; C733-V736 HydrophobicContact CB-CG2 4.33Å |
| 734 | K | 84 | Confident | 87.7 | Confident | 69 Ų | 69 | 35.2 Ų | 35.2 | 30% | 0.3 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | -35.8 | 178.5 | -174.8 | 177.1 | -174.9 | 175.6 | 0 | 112.5 | I671 N703 D704 F705 | I671-K734 HydrophobicContact CD1-CD 4.23Å; N703-K734 WeakPolarHBondContact O-CB 3.19Å; N703-K734 PolarHBondContact O-N 2.96Å; D704-K734 IonicContact OD1-NZ 3.21Å; F705-K734 PolarHBondContact O-N 3.09Å |
| 735 | S | 88.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 144.1 | 178.5 | 57.6 | 0 | 0 | 0 | 0 | 110.1 | A706 L707 | A706-S735 VanDerWaalsContact CA-O 3.24Å; A706-S735 WeakPolarHBondContact CA-O 3.35Å; A706-S735 VanDerWaalsContact CB-OG 3.24Å; A706-S735 WeakPolarHBondContact CB-OG 3.48Å; L707-S735 PolarHBondContact N-O 3.37Å |
| 736 | V | 93.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130.3 | 177.1 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | W647 V648 L707 A730 C733 | W647-V736 CarbonylContact C-O 3.57Å; W647-V736 WeakPolarHBondContact CA-O 3.07Å; W647-V736 HydrophobicContact CB-CB 4.34Å; W647-V736 HydrophobicContact CD2-CB 3.7Å; W647-V736 HydrophobicContact CD2-CG1 4.35Å; W647-V736 HydrophobicContact CD2-CG2 3.81Å; W647-V736 HydrophobicContact CE3-CB 4.04Å; W647-V736 HydrophobicContact CE3-CG1 4.18Å; W647-V736 HydrophobicContact CE3-CG2 4.28Å; W647-V736 HydrophobicContact CG-CB 3.81Å; W647-V736 HydrophobicContact CG-CG2 4.2Å; W647-V736 HydrophobicContact CH2-CG2 4.39Å; W647-V736 HydrophobicContact CZ2-CG2 3.88Å; V648-V736 PolarHBondContact N-O 3.04Å; L707-V736 HydrophobicContact CB-CG1 4.3Å; L707-V736 HydrophobicContact CB-CG2 4.26Å; L707-V736 HydrophobicContact CD2-CG1 4.26Å; L707-V736 CarbonylContact O-C 3.55Å; L707-V736 WeakPolarHBondContact O-CA 3.46Å; A730-V736 HydrophobicContact CB-CG2 4.32Å; C733-V736 HydrophobicContact CB-CG2 4.33Å |
| 737 | I | 94.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 111.5 | 177.4 | -56.2 | -179.5 | 0 | 0 | 0 | 107.6 | V648 A657 L666 L667 L707 I708 V709 | V648-I737 HydrophobicContact CB-CG1 4.41Å; V648-I737 HydrophobicContact CB-CG2 4.49Å; V648-I737 CarbonylContact O-C 3.53Å; V648-I737 WeakPolarHBondContact O-CA 3.37Å; A657-I737 HydrophobicContact CB-CG2 3.71Å; L666-I737 HydrophobicContact CD2-CD1 4.31Å; L666-I737 HydrophobicContact CD2-CG1 4.26Å; L667-I737 HydrophobicContact CD1-CD1 3.8Å; L667-I737 HydrophobicContact CD2-CD1 4.09Å; L667-I737 HydrophobicContact CG-CD1 4.03Å; L707-I737 PolarHBondContact O-N 3.09Å; I708-I737 VanDerWaalsContact CA-O 3.3Å; I708-I737 WeakPolarHBondContact CA-O 3.48Å; V709-I737 PolarHBondContact N-O 3.19Å |
| 738 | C | 93.8 | Very high | 88 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125.8 | 174.5 | -57.5 | 0 | 0 | 0 | 0 | 108.9 | V648 L649 T650 V709 L714 V741 | V648-C738 PolarHBondContact O-N 2.58Å; L649-C738 HydrophobicContact CD2-CB 3.77Å; T650-C738 PolarHBondContact N-O 2.83Å; V709-C738 CarbonylContact O-C 3.53Å; V709-C738 WeakPolarHBondContact O-CA 3.42Å; L714-C738 HydrophobicContact CD2-CB 4.44Å; C738-V741 HydrophobicContact CB-CG2 3.39Å |
| 739 | C | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 155 | -174.7 | -48.8 | 0 | 0 | 0 | 0 | 110.4 | T650 Q654 V709 D710 G711 V741 | T650-C739 CarbonylContact O-C 3.5Å; Q654-C739 HydrophobicContact CB-CB 4.17Å; V709-C739 PolarHBondContact O-N 3.27Å; D710-C739 CarbonylContact C-O 3.56Å; G711-C739 WeakPolarHBondContact CA-O 3.17Å; G711-C739 PolarHBondContact N-O 3.14Å; C739-V741 WeakPolarHBondContact O-CG2 3.34Å; C739-V741 PolarHBondContact O-N 3.5Å; C739-V741 VanDerWaalsContact O-N 3.12Å |
| 740 | R | 85.9 | Confident | 88.5 | Confident | 122 Ų | 122 | 27.1 Ų | 27.1 | 46% | 0.46 | 13% | 0.125 | S | C | . | . | S | Bend | trans | 48.2 | 38.1 | -178.7 | -59.6 | -176.5 | 172 | 175.8 | -0.8 | 114.2 | T650 D652 | T650-R740 PolarHBondContact O-N 3.26Å; D652-R740 PolarHBondContact O-N 2.72Å |
| 741 | V | 87.3 | Confident | 88.6 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.036 | 15% | 0.147 | C | C | . | . | trans | -86 | 126 | -176.4 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | T650 L714 C738 C739 Q745 K746 | T650-V741 PolarHBondContact O-N 3.36Å; L714-V741 HydrophobicContact CD2-CG1 3.98Å; L714-V741 HydrophobicContact CD2-CG2 4.06Å; C738-V741 HydrophobicContact CB-CG2 3.39Å; C739-V741 WeakPolarHBondContact O-CG2 3.34Å; C739-V741 PolarHBondContact O-N 3.5Å; C739-V741 VanDerWaalsContact O-N 3.12Å; V741-Q745 HydrophobicContact CG1-CB 3.48Å; V741-Q745 VanDerWaalsContact CG1-CB 3.48Å; V741-K746 HydrophobicContact CB-CG 4.22Å; V741-K746 HydrophobicContact CG1-CB 4.42Å; V741-K746 HydrophobicContact CG1-CG 3.65Å | ||
| 742 | S | 82.9 | Confident | 88.9 | Confident | 47 Ų | 47 | 31.2 Ų | 31.2 | 33% | 0.329 | 14% | 0.143 | S | C | . | . | trans | -68.9 | 153.9 | 173.3 | 64.1 | 0 | 0 | 0 | 0 | 112.3 | W744 Q745 K746 | S742-W744 PolarHBondContact O-N 3.48Å; S742-W744 VanDerWaalsContact O-N 3.09Å; S742-Q745 PolarHBondContact O-N 2.84Å; S742-Q745 WeakPolarHBondContact OG-CB 3.34Å; S742-Q745 VanDerWaalsContact OG-CD 3.25Å; S742-Q745 WeakPolarHBondContact OG-CG 3.46Å; S742-Q745 PolarHBondContact OG-N 2.89Å; S742-Q745 PolarHBondContact OG-OE1 3.17Å; S742-K746 PolarHBondContact O-N 3.27Å | ||
| 743 | P | 81.5 | Confident | 89.2 | Confident | 46 Ų | 46 | 31.3 Ų | 31.3 | 30% | 0.299 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -51.1 | -37.5 | 177.4 | -29.6 | 35.5 | 0 | 0 | 0 | 114 | A747 N770 | P743-A747 PolarHBondContact O-N 3.18Å; P743-N770 HydrophobicContact CB-CB 4.48Å; P743-N770 WeakPolarHBondContact CB-O 3.4Å; P743-N770 HydrophobicContact CG-CB 3.92Å |
| 744 | W | 84.6 | Confident | 89.5 | Confident | 165 Ų | 165 | 34.1 Ų | 34.1 | 63% | 0.625 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -69.6 | -43.1 | 178 | 178.7 | 84.5 | 0 | 0 | 0 | 112.3 | S742 K746 A747 Q748 | S742-W744 PolarHBondContact O-N 3.48Å; S742-W744 VanDerWaalsContact O-N 3.09Å; W744-K746 VanDerWaalsContact C-N 3.35Å; W744-K746 PolarHBondContact O-N 2.71Å; W744-A747 PolarHBondContact O-N 2.83Å; W744-Q748 PolarHBondContact O-N 3.14Å |
| 745 | Q | 89 | Confident | 89.7 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.4 | -39.6 | 175.5 | -73.9 | 167.7 | -32.3 | 0 | 0 | 111.4 | G711 L714 L718 V741 S742 A747 Q748 L749 | G711-Q745 PolarHBondContact O-NE2 3.47Å; L714-Q745 HydrophobicContact CD2-CB 4.34Å; L718-Q745 HydrophobicContact CD1-CG 4.44Å; V741-Q745 HydrophobicContact CG1-CB 3.48Å; V741-Q745 VanDerWaalsContact CG1-CB 3.48Å; S742-Q745 PolarHBondContact O-N 2.84Å; S742-Q745 WeakPolarHBondContact OG-CB 3.34Å; S742-Q745 VanDerWaalsContact OG-CD 3.25Å; S742-Q745 WeakPolarHBondContact OG-CG 3.46Å; S742-Q745 PolarHBondContact OG-N 2.89Å; S742-Q745 PolarHBondContact OG-OE1 3.17Å; Q745-A747 VanDerWaalsContact C-N 3.34Å; Q745-A747 PolarHBondContact O-N 2.96Å; Q745-Q748 PolarHBondContact O-N 3.38Å; Q745-L749 WeakPolarHBondContact O-CB 3.23Å; Q745-L749 PolarHBondContact O-N 3.44Å |
| 746 | K | 90.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.1 | -51.1 | 173 | -66.3 | -173.9 | 174.1 | -176 | 0 | 110.6 | D367 L649 V741 S742 W744 Q748 L749 V750 N770 D771 M774 | D367-K746 IonicContact OD1-NZ 3.07Å; D367-K746 PolarHBondContact OD1-NZ 2.83Å; L649-K746 HydrophobicContact CB-CD 4.41Å; L649-K746 HydrophobicContact CB-CG 4.1Å; L649-K746 HydrophobicContact CD1-CB 4.33Å; L649-K746 WeakPolarHBondContact O-CE 3.4Å; L649-K746 PolarHBondContact O-NZ 2.87Å; V741-K746 HydrophobicContact CB-CG 4.22Å; V741-K746 HydrophobicContact CG1-CB 4.42Å; V741-K746 HydrophobicContact CG1-CG 3.65Å; S742-K746 PolarHBondContact O-N 3.27Å; W744-K746 VanDerWaalsContact C-N 3.35Å; W744-K746 PolarHBondContact O-N 2.71Å; K746-Q748 PolarHBondContact O-N 2.97Å; K746-L749 PolarHBondContact O-N 3.4Å; K746-V750 WeakPolarHBondContact O-CG2 3.21Å; K746-V750 PolarHBondContact O-N 2.88Å; K746-N770 PolarHBondContact NZ-ND2 3.32Å; K746-D771 IonicContact NZ-OD1 2.73Å; K746-D771 PolarHBondContact NZ-OD1 3.41Å; K746-M774 HydrophobicContact CB-CB 4.1Å; K746-M774 HydrophobicContact CB-CG 4.3Å; K746-M774 HydrophobicContact CB-SD 4.4Å; K746-M774 HydrophobicContact CD-SD 4.39Å |
| 747 | A | 89.4 | Confident | 89.2 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 7% | 0.066 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -38 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | P743 W744 Q745 K751 G773 A777 | P743-A747 PolarHBondContact O-N 3.18Å; W744-A747 PolarHBondContact O-N 2.83Å; Q745-A747 VanDerWaalsContact C-N 3.34Å; Q745-A747 PolarHBondContact O-N 2.96Å; A747-K751 VanDerWaalsContact O-CG 3.29Å; A747-K751 WeakPolarHBondContact O-CG 3.4Å; A747-K751 PolarHBondContact O-N 3.04Å; A747-G773 WeakPolarHBondContact CB-O 3.33Å; A747-A777 HydrophobicContact CB-CB 4.43Å |
| 748 | Q | 90.9 | Very high | 88.4 | Confident | 63 Ų | 63 | 49 Ų | 49 | 29% | 0.294 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 178.2 | -172.4 | 125.1 | -28.6 | 0 | 0 | 111.8 | L718 W744 Q745 K746 K751 L752 | L718-Q748 HydrophobicContact CD1-CB 4.36Å; L718-Q748 HydrophobicContact CD1-CG 4.18Å; L718-Q748 HydrophobicContact CD2-CG 4.36Å; W744-Q748 PolarHBondContact O-N 3.14Å; Q745-Q748 PolarHBondContact O-N 3.38Å; K746-Q748 PolarHBondContact O-N 2.97Å; Q748-K751 PolarHBondContact O-N 3.43Å; Q748-L752 WeakPolarHBondContact O-CB 3.47Å; Q748-L752 PolarHBondContact O-N 2.89Å |
| 749 | L | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 178.2 | -174 | 63.6 | 0 | 0 | 0 | 111.6 | W647 L649 L714 L718 F726 Q745 K746 K751 L752 V753 | W647-L749 HydrophobicContact CE3-CD2 4.27Å; W647-L749 HydrophobicContact CZ3-CD1 4.16Å; W647-L749 HydrophobicContact CZ3-CD2 4.4Å; W647-L749 HydrophobicContact CZ3-CG 4.32Å; L649-L749 HydrophobicContact CD1-CD2 3.97Å; L649-L749 HydrophobicContact CD2-CD2 3.4Å; L649-L749 HydrophobicContact CG-CD2 4.35Å; L714-L749 HydrophobicContact CD1-CD1 4.45Å; L718-L749 HydrophobicContact CD2-CD1 4.35Å; F726-L749 HydrophobicContact CE1-CD1 3.77Å; F726-L749 HydrophobicContact CZ-CD1 4.43Å; Q745-L749 WeakPolarHBondContact O-CB 3.23Å; Q745-L749 PolarHBondContact O-N 3.44Å; K746-L749 PolarHBondContact O-N 3.4Å; L749-K751 PolarHBondContact O-N 3.41Å; L749-L752 HydrophobicContact CD1-CD2 4.3Å; L749-L752 WeakPolarHBondContact O-CB 3.45Å; L749-L752 PolarHBondContact O-N 3.37Å; L749-V753 PolarHBondContact O-N 2.87Å; L749-V753 VanDerWaalsContact O-N 3.1Å |
| 750 | V | 93.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 174.7 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | F365 L649 K746 L752 R754 M774 A777 A778 | F365-V750 HydrophobicContact CB-CG2 4.04Å; F365-V750 HydrophobicContact CD1-CG2 4.01Å; F365-V750 HydrophobicContact CD2-CB 4.43Å; F365-V750 HydrophobicContact CD2-CG1 4.2Å; F365-V750 HydrophobicContact CD2-CG2 3.66Å; F365-V750 HydrophobicContact CE1-CG2 4.38Å; F365-V750 HydrophobicContact CE2-CB 4.45Å; F365-V750 HydrophobicContact CE2-CG1 4.2Å; F365-V750 HydrophobicContact CE2-CG2 4.08Å; F365-V750 HydrophobicContact CG-CG2 3.62Å; F365-V750 HydrophobicContact CZ-CG2 4.42Å; L649-V750 HydrophobicContact CD1-CG2 4.44Å; K746-V750 WeakPolarHBondContact O-CG2 3.21Å; K746-V750 PolarHBondContact O-N 2.88Å; V750-L752 VanDerWaalsContact C-N 3.32Å; V750-L752 PolarHBondContact O-N 3.41Å; V750-R754 WeakPolarHBondContact O-CB 3.38Å; V750-R754 PolarHBondContact O-N 3.4Å; V750-M774 HydrophobicContact CG2-CG 3.6Å; V750-A777 HydrophobicContact CB-CB 4.13Å; V750-A777 HydrophobicContact CG1-CB 3.96Å; V750-A778 HydrophobicContact CG1-CB 3.84Å |
| 751 | K | 91.2 | Very high | 87.7 | Confident | 106 Ų | 106 | 51.2 Ų | 51.2 | 46% | 0.461 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.1 | -39.8 | 175.4 | -75 | 172.7 | -174.6 | 170.3 | 0 | 111.7 | A747 Q748 L749 R754 Q755 A777 | A747-K751 VanDerWaalsContact O-CG 3.29Å; A747-K751 WeakPolarHBondContact O-CG 3.4Å; A747-K751 PolarHBondContact O-N 3.04Å; Q748-K751 PolarHBondContact O-N 3.43Å; L749-K751 PolarHBondContact O-N 3.41Å; K751-R754 PolarHBondContact O-N 2.85Å; K751-Q755 WeakPolarHBondContact O-CB 3.4Å; K751-Q755 VanDerWaalsContact O-CG 3.24Å; K751-Q755 WeakPolarHBondContact O-CG 3.29Å; K751-Q755 PolarHBondContact O-N 3.39Å; K751-A777 HydrophobicContact CG-CB 3.9Å |
| 752 | L | 91.9 | Very high | 88.1 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.6 | -53.9 | 178.1 | 169.9 | 60.8 | 0 | 0 | 0 | 111.4 | L718 R723 F726 L727 Q748 L749 V750 R754 Q755 S756 | L718-L752 HydrophobicContact CD2-CD2 3.76Å; R723-L752 HydrophobicContact CG-CD1 3.48Å; R723-L752 VanDerWaalsContact CG-CD1 3.48Å; R723-L752 HydrophobicContact CG-CD2 4.21Å; R723-L752 VanDerWaalsContact CZ-CD1 3.41Å; R723-L752 VanDerWaalsContact NH2-CD1 3.32Å; F726-L752 HydrophobicContact CD1-CD2 4.4Å; L727-L752 HydrophobicContact CD1-CG 4.48Å; Q748-L752 WeakPolarHBondContact O-CB 3.47Å; Q748-L752 PolarHBondContact O-N 2.89Å; L749-L752 HydrophobicContact CD1-CD2 4.3Å; L749-L752 WeakPolarHBondContact O-CB 3.45Å; L749-L752 PolarHBondContact O-N 3.37Å; V750-L752 VanDerWaalsContact C-N 3.32Å; V750-L752 PolarHBondContact O-N 3.41Å; L752-R754 VanDerWaalsContact C-N 3.35Å; L752-R754 PolarHBondContact O-N 2.99Å; L752-Q755 PolarHBondContact O-N 3.34Å; L752-S756 WeakPolarHBondContact O-CB 3.3Å; L752-S756 PolarHBondContact O-N 2.89Å; L752-S756 VanDerWaalsContact O-N 3.09Å; L752-S756 PolarHBondContact O-OG 3.5Å |
| 753 | V | 92.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | -179.8 | 178 | 0 | 0 | 0 | 0 | 111 | Y363 F365 W647 L727 L749 Q755 S756 I757 T762 | Y363-V753 HydrophobicContact CD2-CG1 4.25Å; Y363-V753 HydrophobicContact CG-CG1 4.4Å; F365-V753 HydrophobicContact CE1-CG2 4.25Å; F365-V753 HydrophobicContact CZ-CB 3.79Å; F365-V753 HydrophobicContact CZ-CG1 3.99Å; F365-V753 HydrophobicContact CZ-CG2 3.83Å; W647-V753 HydrophobicContact CH2-CG2 3.78Å; W647-V753 HydrophobicContact CZ3-CG2 3.77Å; L727-V753 HydrophobicContact CD1-CG2 4.17Å; L749-V753 PolarHBondContact O-N 2.87Å; L749-V753 VanDerWaalsContact O-N 3.1Å; V753-Q755 PolarHBondContact O-N 3.36Å; V753-S756 WeakPolarHBondContact CA-OG 3.44Å; V753-S756 PolarHBondContact O-OG 3.46Å; V753-S756 VanDerWaalsContact O-OG 3.06Å; V753-I757 HydrophobicContact CG1-CD1 4.2Å; V753-I757 PolarHBondContact O-N 3.3Å; V753-I757 VanDerWaalsContact O-N 3.08Å; V753-T762 HydrophobicContact CG1-CG2 4.13Å |
| 754 | R | 91.1 | Very high | 89.4 | Confident | 64 Ų | 64 | 46.5 Ų | 46.5 | 24% | 0.242 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 177.2 | 166.8 | 164.9 | -174.5 | -154.3 | -1.5 | 113.7 | V750 K751 L752 T762 A777 H779 | V750-R754 WeakPolarHBondContact O-CB 3.38Å; V750-R754 PolarHBondContact O-N 3.4Å; K751-R754 PolarHBondContact O-N 2.85Å; L752-R754 VanDerWaalsContact C-N 3.35Å; L752-R754 PolarHBondContact O-N 2.99Å; R754-T762 HydrophobicContact CB-CG2 4.44Å; R754-A777 WeakPolarHBondContact CD-O 3.38Å; R754-A777 PolarHBondContact NH1-O 2.91Å; R754-H779 WeakPolarHBondContact CG-CE1 3.35Å; R754-H779 PolarHBondContact NE-CD2 2.77Å; R754-H779 PolarHBondContact NE-NE2 2.96Å; R754-H779 VanDerWaalsContact NE-NE2 3.11Å |
| 755 | Q | 89.5 | Confident | 89.9 | Confident | 120 Ų | 120 | 38.6 Ų | 38.6 | 56% | 0.561 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -78.6 | -34.6 | -177.6 | -75.2 | 175 | -9.7 | 0 | 0 | 112.7 | K751 L752 V753 | K751-Q755 WeakPolarHBondContact O-CB 3.4Å; K751-Q755 VanDerWaalsContact O-CG 3.24Å; K751-Q755 WeakPolarHBondContact O-CG 3.29Å; K751-Q755 PolarHBondContact O-N 3.39Å; L752-Q755 PolarHBondContact O-N 3.34Å; V753-Q755 PolarHBondContact O-N 3.36Å |
| 756 | S | 86.7 | Confident | 90 | Very high | 52 Ų | 52 | 38 Ų | 38 | 36% | 0.364 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -75.6 | -42.8 | -178.6 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | L727 L752 V753 | L727-S756 VanDerWaalsContact CD2-OG 3.25Å; L727-S756 WeakPolarHBondContact CD2-OG 3.31Å; L752-S756 WeakPolarHBondContact O-CB 3.3Å; L752-S756 PolarHBondContact O-N 2.89Å; L752-S756 VanDerWaalsContact O-N 3.09Å; L752-S756 PolarHBondContact O-OG 3.5Å; V753-S756 WeakPolarHBondContact CA-OG 3.44Å; V753-S756 PolarHBondContact O-OG 3.46Å; V753-S756 VanDerWaalsContact O-OG 3.06Å |
| 757 | I | 84.7 | Confident | 89.8 | Confident | 32 Ų | 32 | 38.7 Ų | 38.7 | 16% | 0.164 | 19% | 0.188 | C | C | . | . | trans | -103.6 | 84.6 | -179.4 | -45.9 | 175.6 | 0 | 0 | 0 | 110.1 | Y363 L731 V753 D759 A760 | Y363-I757 HydrophobicContact CE2-CD1 3.65Å; L731-I757 HydrophobicContact CD1-CD1 3.65Å; L731-I757 HydrophobicContact CD1-CG1 4.18Å; L731-I757 HydrophobicContact CD2-CD1 3.5Å; L731-I757 VanDerWaalsContact CD2-CD1 3.5Å; L731-I757 HydrophobicContact CG-CD1 4.22Å; V753-I757 HydrophobicContact CG1-CD1 4.2Å; V753-I757 PolarHBondContact O-N 3.3Å; V753-I757 VanDerWaalsContact O-N 3.08Å; I757-D759 PolarHBondContact O-N 2.75Å; I757-D759 VanDerWaalsContact O-N 3.16Å; I757-A760 HydrophobicContact CB-CB 4.06Å; I757-A760 HydrophobicContact CG2-CB 3.42Å; I757-A760 VanDerWaalsContact CG2-CB 3.42Å; I757-A760 PolarHBondContact O-N 3.23Å | ||
| 758 | K | 77.2 | Confident | 89.1 | Confident | 179 Ų | 179 | 38.4 Ų | 38.4 | 78% | 0.778 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.2 | -176.8 | -67.1 | -177.8 | -178.3 | 174 | 0 | 114.3 | ||
| 759 | D | 78.1 | Confident | 88.3 | Confident | 158 Ų | 158 | 36.4 Ų | 36.4 | 85% | 0.845 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -6 | -175.7 | -59.9 | -28.6 | 0 | 0 | 0 | 113.5 | I757 | I757-D759 PolarHBondContact O-N 2.75Å; I757-D759 VanDerWaalsContact O-N 3.16Å |
| 760 | A | 85.4 | Confident | 87.6 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 5% | 0.05 | 18% | 0.182 | C | C | . | . | trans | -106.4 | 132.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R362 Y363 I757 | R362-A760 HydrophobicContact CB-CB 4.29Å; Y363-A760 HydrophobicContact CD2-CB 4Å; Y363-A760 HydrophobicContact CE2-CB 3.8Å; I757-A760 HydrophobicContact CB-CB 4.06Å; I757-A760 HydrophobicContact CG2-CB 3.42Å; I757-A760 VanDerWaalsContact CG2-CB 3.42Å; I757-A760 PolarHBondContact O-N 3.23Å | ||
| 761 | V | 92.4 | Very high | 87.2 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 132.8 | 173.5 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | T246 E357 Q360 V361 R362 Y363 H779 V780 | T246-V761 HydrophobicContact CG2-CG2 4.07Å; E357-V761 HydrophobicContact CB-CG1 4.32Å; E357-V761 WeakPolarHBondContact OE2-CG1 3.42Å; E357-V761 VanDerWaalsContact OE2-CG2 3.28Å; E357-V761 WeakPolarHBondContact OE2-CG2 3.3Å; Q360-V761 HydrophobicContact CB-CB 4.24Å; Q360-V761 HydrophobicContact CB-CG2 3.66Å; V361-V761 HydrophobicContact CG2-CG1 4.2Å; R362-V761 PolarHBondContact N-O 2.95Å; Y363-V761 PolarHBondContact N-O 3.5Å; V761-H779 HydrophobicContact CG1-CB 3.78Å; V761-V780 HydrophobicContact CG1-CG2 4.45Å |
| 762 | T | 94.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.5 | -178.9 | 54.5 | 0 | 0 | 0 | 0 | 109.9 | Y363 F365 V753 R754 H779 V780 | Y363-T762 WeakPolarHBondContact O-CA 3.35Å; F365-T762 HydrophobicContact CE2-CG2 3.83Å; V753-T762 HydrophobicContact CG1-CG2 4.13Å; R754-T762 HydrophobicContact CB-CG2 4.44Å; T762-H779 PolarHBondContact N-ND1 3.34Å; T762-H779 WeakPolarHBondContact O-CB 3.38Å; T762-H779 PolarHBondContact O-N 2.75Å; T762-H779 PolarHBondContact OG1-N 3.39Å; T762-H779 PolarHBondContact OG1-ND1 3.16Å; T762-V780 PolarHBondContact O-N 3.24Å; T762-V780 VanDerWaalsContact O-N 3.09Å |
| 763 | L | 96.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 137.8 | 173.8 | -176.8 | 151 | 0 | 0 | 0 | 109.1 | L358 V361 Y363 I364 F365 I765 V780 V782 L806 L810 | L358-L763 HydrophobicContact CD2-CD1 4.39Å; V361-L763 HydrophobicContact CB-CB 4.49Å; V361-L763 HydrophobicContact CG1-CB 3.55Å; V361-L763 HydrophobicContact CG1-CD1 4.35Å; V361-L763 HydrophobicContact CG2-CB 4.06Å; V361-L763 HydrophobicContact CG2-CD1 4.01Å; Y363-L763 PolarHBondContact O-N 3.18Å; I364-L763 CarbonylContact C-O 3.59Å; I364-L763 VanDerWaalsContact CA-O 3.32Å; I364-L763 WeakPolarHBondContact CA-O 3.34Å; I364-L763 HydrophobicContact CG1-CB 4.21Å; I364-L763 HydrophobicContact CG1-CD2 4.14Å; I364-L763 HydrophobicContact CG2-CD2 4.03Å; F365-L763 WeakPolarHBondContact CD2-O 3.48Å; F365-L763 PolarHBondContact N-O 3.37Å; L763-I765 HydrophobicContact CD2-CB 4.21Å; L763-V780 CarbonylContact C-O 3.54Å; L763-V780 VanDerWaalsContact CA-O 3.28Å; L763-V780 WeakPolarHBondContact CA-O 3.15Å; L763-V780 HydrophobicContact CD1-CB 4.44Å; L763-V780 HydrophobicContact CD1-CG1 4.18Å; L763-V780 HydrophobicContact CG-CB 4.4Å; L763-V780 HydrophobicContact CG-CG1 4.43Å; L763-V782 HydrophobicContact CD1-CG2 3.89Å; L763-V782 HydrophobicContact CD2-CG2 4.04Å; L763-V782 HydrophobicContact CG-CG2 4.07Å; L763-L806 HydrophobicContact CD1-CD1 4.21Å; L763-L806 HydrophobicContact CD2-CD1 4.43Å; L763-L810 HydrophobicContact CD1-CD1 4.31Å; L763-L810 HydrophobicContact CD1-CD2 3.84Å |
| 764 | A | 95.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | F365 M774 I775 A778 V780 V782 | F365-A764 HydrophobicContact CB-CB 4.39Å; F365-A764 CarbonylContact O-C 3.58Å; F365-A764 VanDerWaalsContact O-CA 3.28Å; F365-A764 WeakPolarHBondContact O-CA 3.33Å; A764-M774 HydrophobicContact CB-CE 4.24Å; A764-M774 HydrophobicContact CB-CG 3.87Å; A764-M774 WeakPolarHBondContact CB-O 3.44Å; A764-M774 HydrophobicContact CB-SD 4.48Å; A764-I775 HydrophobicContact CB-CG1 4.46Å; A764-A778 HydrophobicContact CB-CB 3.54Å; A764-V780 PolarHBondContact N-O 3.27Å; A764-V782 PolarHBondContact O-N 3.11Å |
| 765 | I | 95.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.7 | 178.3 | -172.7 | 167 | 0 | 0 | 0 | 111.1 | I364 F365 D367 T371 L763 M774 V782 I784 I800 F803 L806 | I364-I765 HydrophobicContact CG2-CG2 4.14Å; F365-I765 PolarHBondContact O-N 3.31Å; D367-I765 PolarHBondContact N-O 3.17Å; T371-I765 HydrophobicContact CG2-CG1 4.19Å; T371-I765 HydrophobicContact CG2-CG2 4.24Å; L763-I765 HydrophobicContact CD2-CB 4.21Å; I765-M774 VanDerWaalsContact O-CE 3.24Å; I765-M774 WeakPolarHBondContact O-CE 3.22Å; I765-V782 VanDerWaalsContact CA-O 3.27Å; I765-V782 WeakPolarHBondContact CA-O 3.28Å; I765-V782 HydrophobicContact CB-CB 4.17Å; I765-V782 HydrophobicContact CD1-CB 4.25Å; I765-V782 HydrophobicContact CD1-CG1 3.85Å; I765-V782 HydrophobicContact CG1-CB 4.04Å; I765-V782 HydrophobicContact CG1-CG1 4.03Å; I765-I784 HydrophobicContact CD1-CD1 3.96Å; I765-I784 HydrophobicContact CD1-CG1 4.12Å; I765-I784 HydrophobicContact CG1-CD1 4.07Å; I765-I784 HydrophobicContact CG1-CG1 4.14Å; I765-I800 HydrophobicContact CD1-CD1 4.09Å; I765-F803 HydrophobicContact CD1-CD2 3.82Å; I765-F803 HydrophobicContact CD1-CE2 4.17Å; I765-F803 HydrophobicContact CG2-CE2 4.07Å; I765-L806 HydrophobicContact CD1-CD2 4.07Å |
| 766 | G | 90.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 167.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | T371 D771 V782 G783 I784 | T371-G766 WeakPolarHBondContact OG1-CA 3.49Å; G766-D771 VanDerWaalsContact CA-OD2 3.28Å; G766-D771 WeakPolarHBondContact CA-OD2 3.35Å; G766-V782 PolarHBondContact N-O 3.25Å; G766-G783 CarbonylContact O-C 3.58Å; G766-G783 VanDerWaalsContact O-CA 3.32Å; G766-G783 WeakPolarHBondContact O-CA 3.41Å; G766-I784 PolarHBondContact O-N 3.39Å |
| 767 | D | 85.9 | Confident | 86.4 | Confident | 15 Ų | 15 | 23.2 Ų | 23.2 | 8% | 0.08 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -116.6 | -33.4 | -177.9 | 70.5 | -39.1 | 0 | 0 | 0 | 112.7 | G370 T371 I784 A792 | G370-D767 VanDerWaalsContact CA-OD2 3.29Å; G370-D767 WeakPolarHBondContact CA-OD2 3.49Å; T371-D767 PolarHBondContact OG1-N 3.39Å; D767-I784 HydrophobicContact CB-CB 3.96Å; D767-I784 HydrophobicContact CB-CG2 4.24Å; D767-A792 WeakPolarHBondContact O-CB 3.45Å |
| 768 | G | 75.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 21.7 Ų | 21.7 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -91.7 | 169 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | N770 D771 A792 | G768-N770 VanDerWaalsContact C-N 3.27Å; G768-N770 VanDerWaalsContact C-OD1 3.25Å; G768-N770 WeakPolarHBondContact CA-OD1 3.35Å; G768-N770 PolarHBondContact O-N 3.29Å; G768-N770 PolarHBondContact O-OD1 2.68Å; G768-D771 PolarHBondContact O-N 2.97Å; G768-A792 WeakPolarHBondContact O-CB 3.38Å |
| 769 | A | 73.6 | Confident | 87.5 | Confident | 22 Ų | 22 | 13.8 Ų | 13.8 | 18% | 0.182 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -71.2 | -23.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N144 D771 V772 Q791 | N144-A769 WeakPolarHBondContact O-CA 3.39Å; N144-A769 WeakPolarHBondContact O-CB 3.45Å; N144-A769 PolarHBondContact O-N 2.82Å; A769-D771 PolarHBondContact O-N 2.87Å; A769-V772 HydrophobicContact CB-CG2 4.4Å; A769-V772 WeakPolarHBondContact O-CB 3.27Å; A769-V772 PolarHBondContact O-N 3.31Å; A769-V772 VanDerWaalsContact O-N 3.12Å; A769-Q791 HydrophobicContact CB-CB 4.1Å |
| 770 | N | 77.4 | Confident | 88.3 | Confident | 4 Ų | 4 | 6.3 Ų | 6.3 | 2% | 0.021 | 4% | 0.044 | C | C | . | . | G | 310 helix | trans | -53.9 | -29.7 | 168.4 | 65.2 | -25.9 | 0 | 0 | 0 | 112.6 | N144 D146 G147 P743 K746 G768 | N144-N770 PolarHBondContact O-N 2.95Å; D146-N770 PolarHBondContact O-ND2 2.97Å; G147-N770 WeakPolarHBondContact CA-ND2 3.3Å; G147-N770 PolarHBondContact N-ND2 3Å; P743-N770 HydrophobicContact CB-CB 4.48Å; P743-N770 WeakPolarHBondContact CB-O 3.4Å; P743-N770 HydrophobicContact CG-CB 3.92Å; K746-N770 PolarHBondContact NZ-ND2 3.32Å; G768-N770 VanDerWaalsContact C-N 3.27Å; G768-N770 VanDerWaalsContact C-OD1 3.25Å; G768-N770 WeakPolarHBondContact CA-OD1 3.35Å; G768-N770 PolarHBondContact O-N 3.29Å; G768-N770 PolarHBondContact O-OD1 2.68Å |
| 771 | D | 84.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.042 | C | C | . | . | G | 310 helix | trans | -91.6 | -10.9 | -178.8 | -64.5 | -36.7 | 0 | 0 | 0 | 113.6 | D367 K746 G766 G768 A769 G773 M774 I775 | D367-D771 WeakPolarHBondContact CB-OD2 3.03Å; K746-D771 IonicContact NZ-OD1 2.73Å; K746-D771 PolarHBondContact NZ-OD1 3.41Å; G766-D771 VanDerWaalsContact CA-OD2 3.28Å; G766-D771 WeakPolarHBondContact CA-OD2 3.35Å; G768-D771 PolarHBondContact O-N 2.97Å; A769-D771 PolarHBondContact O-N 2.87Å; D771-G773 PolarHBondContact O-N 3.44Å; D771-M774 HydrophobicContact CB-CE 3.97Å; D771-M774 CarbonylContact O-C 3.13Å; D771-M774 WeakPolarHBondContact O-CA 3.48Å; D771-M774 VanDerWaalsContact O-CB 3.29Å; D771-M774 WeakPolarHBondContact O-CB 3.22Å; D771-M774 PolarHBondContact O-N 3.22Å; D771-I775 HydrophobicContact CB-CD1 4.14Å; D771-I775 HydrophobicContact CB-CG1 4.46Å; D771-I775 WeakPolarHBondContact O-CB 3.21Å; D771-I775 VanDerWaalsContact O-CG1 3.31Å; D771-I775 WeakPolarHBondContact O-CG1 3.43Å; D771-I775 PolarHBondContact O-N 2.76Å |
| 772 | V | 82.4 | Confident | 88.8 | Confident | 19 Ų | 19 | 5.9 Ų | 5.9 | 12% | 0.115 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -57 | -41.4 | -178.8 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | A769 M774 I775 Q776 A795 | A769-V772 HydrophobicContact CB-CG2 4.4Å; A769-V772 WeakPolarHBondContact O-CB 3.27Å; A769-V772 PolarHBondContact O-N 3.31Å; A769-V772 VanDerWaalsContact O-N 3.12Å; V772-M774 VanDerWaalsContact C-N 3.33Å; V772-M774 PolarHBondContact O-N 3.22Å; V772-I775 PolarHBondContact O-N 3.26Å; V772-Q776 HydrophobicContact CG1-CG 4.3Å; V772-Q776 WeakPolarHBondContact O-CB 3.49Å; V772-Q776 VanDerWaalsContact O-CG 3.28Å; V772-Q776 WeakPolarHBondContact O-CG 3.35Å; V772-Q776 PolarHBondContact O-N 2.98Å; V772-A795 HydrophobicContact CB-CB 4.43Å; V772-A795 HydrophobicContact CG1-CB 3.67Å; V772-A795 HydrophobicContact CG2-CB 4Å |
| 773 | G | 84.6 | Confident | 88.6 | Confident | 24 Ų | 24 | 5.9 Ų | 5.9 | 25% | 0.247 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62.4 | -38.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | A747 D771 A777 | A747-G773 WeakPolarHBondContact CB-O 3.33Å; D771-G773 PolarHBondContact O-N 3.44Å; G773-A777 WeakPolarHBondContact O-CB 3.46Å; G773-A777 PolarHBondContact O-N 3.45Å; G773-A777 VanDerWaalsContact O-N 3.14Å |
| 774 | M | 90.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -67.8 | -48.2 | 176.7 | -173 | -172.9 | 61.5 | 0 | 0 | 111.4 | F365 L649 K746 V750 A764 I765 D771 V772 Q776 A777 A778 | F365-M774 HydrophobicContact CB-SD 4.04Å; L649-M774 HydrophobicContact CB-SD 4.47Å; L649-M774 HydrophobicContact CD1-SD 3.89Å; K746-M774 HydrophobicContact CB-CB 4.1Å; K746-M774 HydrophobicContact CB-CG 4.3Å; K746-M774 HydrophobicContact CB-SD 4.4Å; K746-M774 HydrophobicContact CD-SD 4.39Å; V750-M774 HydrophobicContact CG2-CG 3.6Å; A764-M774 HydrophobicContact CB-CE 4.24Å; A764-M774 HydrophobicContact CB-CG 3.87Å; A764-M774 WeakPolarHBondContact CB-O 3.44Å; A764-M774 HydrophobicContact CB-SD 4.48Å; I765-M774 VanDerWaalsContact O-CE 3.24Å; I765-M774 WeakPolarHBondContact O-CE 3.22Å; D771-M774 HydrophobicContact CB-CE 3.97Å; D771-M774 CarbonylContact O-C 3.13Å; D771-M774 WeakPolarHBondContact O-CA 3.48Å; D771-M774 VanDerWaalsContact O-CB 3.29Å; D771-M774 WeakPolarHBondContact O-CB 3.22Å; D771-M774 PolarHBondContact O-N 3.22Å; V772-M774 VanDerWaalsContact C-N 3.33Å; V772-M774 PolarHBondContact O-N 3.22Å; M774-Q776 PolarHBondContact O-N 3.35Å; M774-A777 PolarHBondContact O-N 3.31Å; M774-A778 PolarHBondContact O-N 3.37Å |
| 775 | I | 90.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 179.2 | -70.4 | 172.5 | 0 | 0 | 0 | 111.3 | K243 A764 D771 V772 A792 | K243-I775 PolarHBondContact NZ-O 3.09Å; A764-I775 HydrophobicContact CB-CG1 4.46Å; D771-I775 HydrophobicContact CB-CD1 4.14Å; D771-I775 HydrophobicContact CB-CG1 4.46Å; D771-I775 WeakPolarHBondContact O-CB 3.21Å; D771-I775 VanDerWaalsContact O-CG1 3.31Å; D771-I775 WeakPolarHBondContact O-CG1 3.43Å; D771-I775 PolarHBondContact O-N 2.76Å; V772-I775 PolarHBondContact O-N 3.26Å; I775-A792 HydrophobicContact CD1-CB 3.84Å |
| 776 | Q | 88.2 | Confident | 86.2 | Confident | 17 Ų | 17 | 8.2 Ų | 8.2 | 8% | 0.079 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -72.8 | -30.8 | 178.7 | -70.2 | -172.6 | 8.4 | 0 | 0 | 112.9 | T238 P241 K243 V772 M774 | T238-Q776 PolarHBondContact O-NE2 2.88Å; T238-Q776 PolarHBondContact O-OE1 2.98Å; T238-Q776 PolarHBondContact OG1-OE1 3.33Å; P241-Q776 HydrophobicContact CG-CB 4.19Å; P241-Q776 WeakPolarHBondContact CG-O 3.29Å; K243-Q776 WeakPolarHBondContact CE-O 3.33Å; V772-Q776 HydrophobicContact CG1-CG 4.3Å; V772-Q776 WeakPolarHBondContact O-CB 3.49Å; V772-Q776 VanDerWaalsContact O-CG 3.28Å; V772-Q776 WeakPolarHBondContact O-CG 3.35Å; V772-Q776 PolarHBondContact O-N 2.98Å; M774-Q776 PolarHBondContact O-N 3.35Å |
| 777 | A | 89.5 | Confident | 84.7 | Confident | 7 Ų | 7 | 17.2 Ų | 17.2 | 6% | 0.058 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.4 | -33.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A747 V750 K751 R754 G773 M774 | A747-A777 HydrophobicContact CB-CB 4.43Å; V750-A777 HydrophobicContact CB-CB 4.13Å; V750-A777 HydrophobicContact CG1-CB 3.96Å; K751-A777 HydrophobicContact CG-CB 3.9Å; R754-A777 WeakPolarHBondContact CD-O 3.38Å; R754-A777 PolarHBondContact NH1-O 2.91Å; G773-A777 WeakPolarHBondContact O-CB 3.46Å; G773-A777 PolarHBondContact O-N 3.45Å; G773-A777 VanDerWaalsContact O-N 3.14Å; M774-A777 PolarHBondContact O-N 3.31Å |
| 778 | A | 93 | Very high | 83.2 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -68.6 | 161.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K243 V750 A764 M774 V780 | K243-A778 VanDerWaalsContact CE-O 3.23Å; K243-A778 WeakPolarHBondContact CE-O 3.09Å; K243-A778 PolarHBondContact NZ-O 3.33Å; K243-A778 VanDerWaalsContact NZ-O 3.09Å; V750-A778 HydrophobicContact CG1-CB 3.84Å; A764-A778 HydrophobicContact CB-CB 3.54Å; M774-A778 PolarHBondContact O-N 3.37Å; A778-V780 VanDerWaalsContact C-N 3.33Å; A778-V780 WeakPolarHBondContact CB-O 3.43Å |
| 779 | H | 93.3 | Very high | 82.4 | Confident | 13 Ų | 13 | 19.8 Ų | 19.8 | 6% | 0.06 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -66.7 | -36.8 | 171.7 | -68.3 | 106 | 0 | 0 | 0 | 111.9 | K243 R754 V761 T762 | K243-H779 WeakPolarHBondContact CD-O 3.37Å; R754-H779 WeakPolarHBondContact CG-CE1 3.35Å; R754-H779 PolarHBondContact NE-CD2 2.77Å; R754-H779 PolarHBondContact NE-NE2 2.96Å; R754-H779 VanDerWaalsContact NE-NE2 3.11Å; V761-H779 HydrophobicContact CG1-CB 3.78Å; T762-H779 PolarHBondContact N-ND1 3.34Å; T762-H779 WeakPolarHBondContact O-CB 3.38Å; T762-H779 PolarHBondContact O-N 2.75Å; T762-H779 PolarHBondContact OG1-N 3.39Å; T762-H779 PolarHBondContact OG1-ND1 3.16Å |
| 780 | V | 94.2 | Very high | 82 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.4 | 172.7 | -179.1 | 0 | 0 | 0 | 0 | 109 | E357 L358 V761 T762 L763 A764 A778 V782 Y798 | E357-V780 HydrophobicContact CB-CG2 3.58Å; L358-V780 HydrophobicContact CD2-CG1 3.84Å; V761-V780 HydrophobicContact CG1-CG2 4.45Å; T762-V780 PolarHBondContact O-N 3.24Å; T762-V780 VanDerWaalsContact O-N 3.09Å; L763-V780 CarbonylContact C-O 3.54Å; L763-V780 VanDerWaalsContact CA-O 3.28Å; L763-V780 WeakPolarHBondContact CA-O 3.15Å; L763-V780 HydrophobicContact CD1-CB 4.44Å; L763-V780 HydrophobicContact CD1-CG1 4.18Å; L763-V780 HydrophobicContact CG-CB 4.4Å; L763-V780 HydrophobicContact CG-CG1 4.43Å; A764-V780 PolarHBondContact N-O 3.27Å; A778-V780 VanDerWaalsContact C-N 3.33Å; A778-V780 WeakPolarHBondContact CB-O 3.43Å; V780-V782 HydrophobicContact CG1-CG2 4.47Å; V780-Y798 HydrophobicContact CG1-CD2 3.81Å; V780-Y798 HydrophobicContact CG1-CE2 3.82Å |
| 781 | G | 93.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D797 Y798 | G781-D797 PolarHBondContact N-OD2 2.97Å; G781-D797 WeakPolarHBondContact O-CA 3.46Å; G781-D797 WeakPolarHBondContact O-CB 3.34Å; G781-D797 PolarHBondContact O-N 2.88Å; G781-Y798 PolarHBondContact O-N 3.45Å; G781-Y798 VanDerWaalsContact O-N 3.13Å |
| 782 | V | 94.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 126 | 175.9 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | L763 A764 I765 G766 V780 Y798 I800 L806 | L763-V782 HydrophobicContact CD1-CG2 3.89Å; L763-V782 HydrophobicContact CD2-CG2 4.04Å; L763-V782 HydrophobicContact CG-CG2 4.07Å; A764-V782 PolarHBondContact O-N 3.11Å; I765-V782 VanDerWaalsContact CA-O 3.27Å; I765-V782 WeakPolarHBondContact CA-O 3.28Å; I765-V782 HydrophobicContact CB-CB 4.17Å; I765-V782 HydrophobicContact CD1-CB 4.25Å; I765-V782 HydrophobicContact CD1-CG1 3.85Å; I765-V782 HydrophobicContact CG1-CB 4.04Å; I765-V782 HydrophobicContact CG1-CG1 4.03Å; G766-V782 PolarHBondContact N-O 3.25Å; V780-V782 HydrophobicContact CG1-CG2 4.47Å; V782-Y798 CarbonylContact C-O 3.56Å; V782-Y798 VanDerWaalsContact CA-O 3.25Å; V782-Y798 WeakPolarHBondContact CA-O 3.38Å; V782-I800 HydrophobicContact CG1-CD1 3.67Å; V782-I800 HydrophobicContact CG1-CG1 3.75Å; V782-L806 HydrophobicContact CG2-CD1 4.31Å |
| 783 | G | 91 | Very high | 81 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | G766 S796 Y798 A799 I800 | G766-G783 CarbonylContact O-C 3.58Å; G766-G783 VanDerWaalsContact O-CA 3.32Å; G766-G783 WeakPolarHBondContact O-CA 3.41Å; G783-S796 PolarHBondContact N-OG 3.32Å; G783-Y798 PolarHBondContact N-O 3.45Å; G783-A799 CarbonylContact O-C 3.24Å; G783-A799 VanDerWaalsContact O-CA 3.29Å; G783-A799 WeakPolarHBondContact O-CA 3.43Å; G783-I800 PolarHBondContact O-N 3.13Å |
| 784 | I | 90.2 | Very high | 80.4 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 127.2 | 169.6 | -71.4 | 173.2 | 0 | 0 | 0 | 108.8 | T371 I765 G766 D767 G786 I800 A801 F803 | T371-I784 HydrophobicContact CG2-CD1 3.63Å; I765-I784 HydrophobicContact CD1-CD1 3.96Å; I765-I784 HydrophobicContact CD1-CG1 4.12Å; I765-I784 HydrophobicContact CG1-CD1 4.07Å; I765-I784 HydrophobicContact CG1-CG1 4.14Å; G766-I784 PolarHBondContact O-N 3.39Å; D767-I784 HydrophobicContact CB-CB 3.96Å; D767-I784 HydrophobicContact CB-CG2 4.24Å; I784-G786 VanDerWaalsContact C-N 3.27Å; I784-G786 PolarHBondContact O-N 3.24Å; I784-I800 CarbonylContact C-O 3.59Å; I784-I800 VanDerWaalsContact CA-O 3.26Å; I784-I800 WeakPolarHBondContact CA-O 3.44Å; I784-I800 HydrophobicContact CG1-CG1 4.27Å; I784-A801 WeakPolarHBondContact CG2-O 3.35Å; I784-F803 HydrophobicContact CD1-CB 4.41Å |
| 785 | S | 80.4 | Confident | 79.7 | Confident | 25 Ų | 25 | 33 Ų | 33 | 18% | 0.175 | 17% | 0.174 | C | C | . | . | trans | -79.3 | 77.7 | 175.2 | -64.3 | 0 | 0 | 0 | 0 | 109.3 | I800 | S785-I800 PolarHBondContact N-O 2.83Š| ||
| 786 | G | 65.9 | Low | 79.5 | Confident | 24 Ų | 24 | 33.2 Ų | 33.2 | 25% | 0.247 | 18% | 0.175 | C | C | . | . | trans | -75.9 | 170 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | I784 | I784-G786 VanDerWaalsContact C-N 3.27Å; I784-G786 PolarHBondContact O-N 3.24Å | ||
| 787 | M | 59.3 | Low | 79.5 | Confident | 188 Ų | 188 | 32.9 Ų | 32.9 | 93% | 0.926 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -74.1 | -28.2 | 171.9 | -66.6 | -73.5 | -81.5 | 0 | 0 | 112.1 | ||
| 788 | E | 54.9 | Low | 79.6 | Confident | 57 Ų | 57 | 32.6 Ų | 32.6 | 27% | 0.266 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -84.9 | -25.2 | -170.5 | -62.8 | 177.7 | -154.3 | 0 | 0 | 113.2 | S143 N144 N375 | S143-E788 WeakPolarHBondContact CB-OE2 3.36Å; S143-E788 PolarHBondContact OG-OE2 3.42Å; N144-E788 PolarHBondContact ND2-O 3.04Å; N144-E788 PolarHBondContact OD1-O 2.89Å; N375-E788 PolarHBondContact ND2-OE1 3.44Å |
| 789 | G | 58.2 | Low | 79.5 | Confident | 14 Ų | 14 | 32.8 Ų | 32.8 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | trans | -171.2 | 143.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N144 | N144-G789 WeakPolarHBondContact OD1-CA 3.16Š| ||
| 790 | R | 66.6 | Low | 79.5 | Confident | 187 Ų | 187 | 32.2 Ų | 32.2 | 71% | 0.706 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -103 | 6.5 | 175.9 | -67 | 179.9 | 176.5 | 170.5 | -2.4 | 113.1 | A793 C794 | R790-A793 PolarHBondContact O-N 3.33Å; R790-C794 VanDerWaalsContact O-CB 3.27Å; R790-C794 WeakPolarHBondContact O-CB 3.22Å; R790-C794 PolarHBondContact O-N 3.22Å; R790-C794 PolarHBondContact O-SG 3.23Å |
| 791 | Q | 69.1 | Low | 79.3 | Confident | 69 Ų | 69 | 32.5 Ų | 32.5 | 32% | 0.322 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -68.6 | -43.5 | -171.3 | -62.5 | -170.2 | 14.2 | 0 | 0 | 112.5 | A769 C794 A795 | A769-Q791 HydrophobicContact CB-CB 4.1Å; Q791-C794 PolarHBondContact O-N 3.25Å; Q791-A795 PolarHBondContact O-N 2.97Å |
| 792 | A | 75.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.5 | -48.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D767 G768 I775 C794 A795 S796 | D767-A792 WeakPolarHBondContact O-CB 3.45Å; G768-A792 WeakPolarHBondContact O-CB 3.38Å; I775-A792 HydrophobicContact CD1-CB 3.84Å; A792-C794 PolarHBondContact O-N 3.02Å; A792-A795 CarbonylContact O-C 3.53Å; A792-A795 PolarHBondContact O-N 3.46Å; A792-A795 VanDerWaalsContact O-N 3.08Å; A792-S796 VanDerWaalsContact O-CB 3.24Å; A792-S796 WeakPolarHBondContact O-CB 3.31Å; A792-S796 PolarHBondContact O-N 2.93Å; A792-S796 PolarHBondContact O-OG 3.3Å |
| 793 | A | 77.6 | Confident | 79.2 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.5 | -38.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R350 R790 S796 A799 | R350-A793 WeakPolarHBondContact CD-O 3.29Å; R350-A793 PolarHBondContact NE-O 3.5Å; R790-A793 PolarHBondContact O-N 3.33Å; A793-S796 PolarHBondContact O-OG 2.96Å; A793-A799 HydrophobicContact CB-CB 4.08Å |
| 794 | C | 72.1 | Confident | 79.3 | Confident | 59 Ų | 59 | 37.9 Ų | 37.9 | 40% | 0.399 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -68.1 | -38.6 | 177 | -80.1 | 0 | 0 | 0 | 0 | 114.2 | R350 R790 Q791 A792 | R350-C794 VanDerWaalsContact CZ-CA 3.48Å; R350-C794 VanDerWaalsContact NH1-CA 3.25Å; R350-C794 PolarHBondContact NH1-O 3.13Å; R350-C794 PolarHBondContact NH2-SG 3.24Å; R790-C794 VanDerWaalsContact O-CB 3.27Å; R790-C794 WeakPolarHBondContact O-CB 3.22Å; R790-C794 PolarHBondContact O-N 3.22Å; R790-C794 PolarHBondContact O-SG 3.23Å; Q791-C794 PolarHBondContact O-N 3.25Å; A792-C794 PolarHBondContact O-N 3.02Å |
| 795 | A | 75.3 | Confident | 79.5 | Confident | 28 Ų | 28 | 38.4 Ų | 38.4 | 23% | 0.231 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -88 | -7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V772 Q791 A792 | V772-A795 HydrophobicContact CB-CB 4.43Å; V772-A795 HydrophobicContact CG1-CB 3.67Å; V772-A795 HydrophobicContact CG2-CB 4Å; Q791-A795 PolarHBondContact O-N 2.97Å; A792-A795 CarbonylContact O-C 3.53Å; A792-A795 PolarHBondContact O-N 3.46Å; A792-A795 VanDerWaalsContact O-N 3.08Å |
| 796 | S | 86.5 | Confident | 80.2 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -82.3 | 162.1 | -177.4 | 70.6 | 0 | 0 | 0 | 0 | 114.3 | R350 G783 A792 A793 Y798 | R350-S796 WeakPolarHBondContact CD-O 3.47Å; G783-S796 PolarHBondContact N-OG 3.32Å; A792-S796 VanDerWaalsContact O-CB 3.24Å; A792-S796 WeakPolarHBondContact O-CB 3.31Å; A792-S796 PolarHBondContact O-N 2.93Å; A792-S796 PolarHBondContact O-OG 3.3Å; A793-S796 PolarHBondContact O-OG 2.96Å; S796-Y798 PolarHBondContact OG-O 3.06Å; S796-Y798 VanDerWaalsContact OG-O 3.05Å |
| 797 | D | 88.7 | Confident | 81.6 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 5% | 0.053 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -80.1 | -34.9 | 172.6 | -60.8 | -56.9 | 0 | 0 | 0 | 111.8 | K243 R350 T351 L354 G781 | K243-D797 VanDerWaalsContact CD-OD2 3.28Å; K243-D797 WeakPolarHBondContact CD-OD2 3.4Å; K243-D797 WeakPolarHBondContact CE-OD2 3.47Å; K243-D797 IonicContact NZ-OD2 3.37Å; K243-D797 PolarHBondContact NZ-OD2 3.09Å; R350-D797 WeakPolarHBondContact CA-O 3.25Å; R350-D797 WeakPolarHBondContact CB-O 3.37Å; R350-D797 PolarHBondContact N-O 3.22Å; T351-D797 VanDerWaalsContact CB-OD1 3.29Å; T351-D797 WeakPolarHBondContact CB-OD1 3.38Å; T351-D797 PolarHBondContact N-O 3.16Å; T351-D797 PolarHBondContact OG1-OD1 3.08Å; L354-D797 HydrophobicContact CD1-CB 3.99Å; L354-D797 VanDerWaalsContact CD1-CG 3.41Å; L354-D797 WeakPolarHBondContact CD1-OD2 3.12Å; G781-D797 PolarHBondContact N-OD2 2.97Å; G781-D797 WeakPolarHBondContact O-CA 3.46Å; G781-D797 WeakPolarHBondContact O-CB 3.34Å; G781-D797 PolarHBondContact O-N 2.88Å |
| 798 | Y | 92.2 | Very high | 83.3 | Confident | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131.1 | 175.2 | -60 | -84.7 | 0 | 0 | 0 | 109.5 | L332 M348 A349 L354 N355 L358 V780 G781 V782 G783 S796 | L332-Y798 HydrophobicContact CD1-CD1 4.28Å; L332-Y798 HydrophobicContact CD1-CE1 3.98Å; M348-Y798 CarbonylContact O-C 3.53Å; M348-Y798 WeakPolarHBondContact O-CA 3.45Å; A349-Y798 HydrophobicContact CB-CD1 3.79Å; A349-Y798 HydrophobicContact CB-CE1 3.7Å; L354-Y798 HydrophobicContact CB-CE2 4.45Å; L354-Y798 PolarHBondContact O-OH 2.75Å; N355-Y798 WeakPolarHBondContact CA-OH 3.34Å; N355-Y798 PolarHBondContact N-OH 3.1Å; N355-Y798 VanDerWaalsContact N-OH 3.12Å; N355-Y798 PolarHBondContact OD1-OH 3.38Å; L358-Y798 HydrophobicContact CD1-CD1 4.49Å; L358-Y798 HydrophobicContact CD1-CD2 4.45Å; L358-Y798 HydrophobicContact CD1-CE1 3.89Å; L358-Y798 HydrophobicContact CD1-CE2 3.83Å; L358-Y798 HydrophobicContact CD2-CD2 4.17Å; L358-Y798 HydrophobicContact CD2-CE2 3.91Å; L358-Y798 HydrophobicContact CG-CE2 3.9Å; V780-Y798 HydrophobicContact CG1-CD2 3.81Å; V780-Y798 HydrophobicContact CG1-CE2 3.82Å; G781-Y798 PolarHBondContact O-N 3.45Å; G781-Y798 VanDerWaalsContact O-N 3.13Å; V782-Y798 CarbonylContact C-O 3.56Å; V782-Y798 VanDerWaalsContact CA-O 3.25Å; V782-Y798 WeakPolarHBondContact CA-O 3.38Å; G783-Y798 PolarHBondContact N-O 3.45Å; S796-Y798 PolarHBondContact OG-O 3.06Å; S796-Y798 VanDerWaalsContact OG-O 3.05Å |
| 799 | A | 90.5 | Very high | 85.2 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.033 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | A347 M348 G783 A793 | A347-A799 CarbonylContact C-O 3.57Å; A347-A799 WeakPolarHBondContact CA-O 3.5Å; M348-A799 HydrophobicContact CB-CB 4.38Å; M348-A799 PolarHBondContact N-O 3.14Å; M348-A799 PolarHBondContact O-N 3.49Å; G783-A799 CarbonylContact O-C 3.24Å; G783-A799 VanDerWaalsContact O-CA 3.29Å; G783-A799 WeakPolarHBondContact O-CA 3.43Å; A793-A799 HydrophobicContact CB-CB 4.08Å |
| 800 | I | 93.1 | Very high | 87 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 152.3 | 175.7 | 60.9 | 178.3 | 0 | 0 | 0 | 109.5 | A347 I765 V782 G783 I784 S785 Q802 F805 L806 L809 | A347-I800 HydrophobicContact CB-CG2 4.2Å; I765-I800 HydrophobicContact CD1-CD1 4.09Å; V782-I800 HydrophobicContact CG1-CD1 3.67Å; V782-I800 HydrophobicContact CG1-CG1 3.75Å; G783-I800 PolarHBondContact O-N 3.13Å; I784-I800 CarbonylContact C-O 3.59Å; I784-I800 VanDerWaalsContact CA-O 3.26Å; I784-I800 WeakPolarHBondContact CA-O 3.44Å; I784-I800 HydrophobicContact CG1-CG1 4.27Å; S785-I800 PolarHBondContact N-O 2.83Å; I800-Q802 WeakPolarHBondContact CD1-O 3.39Å; I800-F805 HydrophobicContact CB-CB 4.41Å; I800-F805 HydrophobicContact CD1-CB 4.48Å; I800-F805 HydrophobicContact CG2-CB 4.5Å; I800-L806 HydrophobicContact CD1-CB 4.28Å; I800-L809 HydrophobicContact CG2-CD2 4.27Å |
| 801 | A | 90.3 | Very high | 88.3 | Confident | 7 Ų | 7 | 17 Ų | 17 | 6% | 0.058 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -73.7 | -39.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D340 T345 I784 F805 | D340-A801 HydrophobicContact CB-CB 3.35Å; T345-A801 WeakPolarHBondContact OG1-CB 3.4Å; I784-A801 WeakPolarHBondContact CG2-O 3.35Å; A801-F805 HydrophobicContact CB-CD2 4.37Å; A801-F805 HydrophobicContact CB-CE2 3.92Å |
| 802 | Q | 91.5 | Very high | 89.5 | Confident | 22 Ų | 22 | 13.8 Ų | 13.8 | 10% | 0.103 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -140.4 | 150.4 | -170.9 | -67.6 | 177.5 | -3.7 | 0 | 0 | 110.8 | D340 Q629 I800 R804 F805 | D340-Q802 PolarHBondContact OD1-NE2 2.66Å; D340-Q802 PolarHBondContact OD2-NE2 3.02Å; Q629-Q802 VanDerWaalsContact OE1-CA 3.29Å; I800-Q802 WeakPolarHBondContact CD1-O 3.39Å; Q802-R804 HydrophobicContact CB-CG 4.1Å; Q802-R804 PolarHBondContact O-N 2.92Å; Q802-R804 VanDerWaalsContact OE1-NH2 3.07Å; Q802-F805 HydrophobicContact CB-CD2 4.34Å; Q802-F805 HydrophobicContact CB-CE2 4.33Å; Q802-F805 PolarHBondContact O-N 3.47Å |
| 803 | F | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -32.8 | -179.1 | -172.8 | -88.5 | 0 | 0 | 0 | 113.2 | T371 L372 V632 T635 I636 I765 I784 F805 L806 | T371-F803 HydrophobicContact CG2-CD2 4.06Å; T371-F803 HydrophobicContact CG2-CE2 4.49Å; L372-F803 HydrophobicContact CD2-CD1 4.4Å; L372-F803 HydrophobicContact CD2-CD2 3.88Å; L372-F803 HydrophobicContact CD2-CE1 4.21Å; L372-F803 HydrophobicContact CD2-CE2 3.66Å; L372-F803 HydrophobicContact CD2-CG 4.25Å; L372-F803 HydrophobicContact CD2-CZ 3.84Å; V632-F803 HydrophobicContact CB-CD1 4.43Å; V632-F803 HydrophobicContact CG1-CD1 4.33Å; V632-F803 HydrophobicContact CG2-CB 3.97Å; V632-F803 HydrophobicContact CG2-CD1 3.93Å; V632-F803 HydrophobicContact CG2-CG 4.18Å; T635-F803 HydrophobicContact CG2-CD1 3.97Å; T635-F803 HydrophobicContact CG2-CE1 3.72Å; I636-F803 HydrophobicContact CD1-CE1 4.42Å; I636-F803 HydrophobicContact CG1-CE1 3.84Å; I636-F803 HydrophobicContact CG1-CZ 4.15Å; I765-F803 HydrophobicContact CD1-CD2 3.82Å; I765-F803 HydrophobicContact CD1-CE2 4.17Å; I765-F803 HydrophobicContact CG2-CE2 4.07Å; I784-F803 HydrophobicContact CD1-CB 4.41Å; F803-F805 PolarHBondContact O-N 3.26Å; F803-F805 VanDerWaalsContact O-N 3.15Å; F803-L806 HydrophobicContact CE2-CD2 4.09Å; F803-L806 HydrophobicContact CZ-CD2 4.12Å; F803-L806 WeakPolarHBondContact O-CB 3.43Å; F803-L806 PolarHBondContact O-N 3.24Å |
| 804 | R | 93.7 | Very high | 91.1 | Very high | 91 Ų | 91 | 14.4 Ų | 14.4 | 34% | 0.343 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -29 | 179.9 | 61.4 | 172.8 | 177.5 | 170.3 | -2 | 114.3 | D340 T630 T635 Q802 L806 N807 | D340-R804 IonicContact OD1-NH2 2.95Å; T630-R804 WeakPolarHBondContact O-CB 3.4Å; T635-R804 WeakPolarHBondContact OG1-CA 3.22Å; Q802-R804 HydrophobicContact CB-CG 4.1Å; Q802-R804 PolarHBondContact O-N 2.92Å; Q802-R804 VanDerWaalsContact OE1-NH2 3.07Å; R804-L806 PolarHBondContact O-N 3.39Å; R804-N807 VanDerWaalsContact O-CB 3.26Å; R804-N807 WeakPolarHBondContact O-CB 3.4Å; R804-N807 PolarHBondContact O-N 2.88Å |
| 805 | F | 95 | Very high | 92 | Very high | 12 Ų | 12 | 11.7 Ų | 11.7 | 5% | 0.053 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -69.8 | -19.5 | 179.8 | -59.9 | -37.1 | 0 | 0 | 0 | 112.4 | D337 M338 D340 I800 A801 Q802 F803 N807 K808 L809 | D337-F805 WeakPolarHBondContact O-CD1 3.44Å; D337-F805 VanDerWaalsContact O-CE1 3.25Å; D337-F805 WeakPolarHBondContact O-CE1 3.39Å; M338-F805 HydrophobicContact CB-CB 4.37Å; M338-F805 HydrophobicContact CB-CD1 4.36Å; M338-F805 HydrophobicContact CB-CG 4.23Å; M338-F805 HydrophobicContact CG-CB 4.33Å; M338-F805 HydrophobicContact CG-CD1 4.49Å; D340-F805 HydrophobicContact CB-CE2 3.97Å; D340-F805 HydrophobicContact CB-CZ 4.19Å; I800-F805 HydrophobicContact CB-CB 4.41Å; I800-F805 HydrophobicContact CD1-CB 4.48Å; I800-F805 HydrophobicContact CG2-CB 4.5Å; A801-F805 HydrophobicContact CB-CD2 4.37Å; A801-F805 HydrophobicContact CB-CE2 3.92Å; Q802-F805 HydrophobicContact CB-CD2 4.34Å; Q802-F805 HydrophobicContact CB-CE2 4.33Å; Q802-F805 PolarHBondContact O-N 3.47Å; F803-F805 PolarHBondContact O-N 3.26Å; F803-F805 VanDerWaalsContact O-N 3.15Å; F805-N807 PolarHBondContact O-N 3.47Å; F805-K808 PolarHBondContact O-N 2.92Å; F805-L809 VanDerWaalsContact O-CB 3.31Å; F805-L809 WeakPolarHBondContact O-CB 3.25Å; F805-L809 PolarHBondContact O-N 3.02Å |
| 806 | L | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -57.4 | -32.1 | 172.3 | -168.6 | 63.1 | 0 | 0 | 0 | 112 | I364 L639 L763 I765 V782 I800 F803 R804 L809 L810 | I364-L806 HydrophobicContact CD1-CD2 4.17Å; L639-L806 HydrophobicContact CD1-CD2 4.15Å; L763-L806 HydrophobicContact CD1-CD1 4.21Å; L763-L806 HydrophobicContact CD2-CD1 4.43Å; I765-L806 HydrophobicContact CD1-CD2 4.07Å; V782-L806 HydrophobicContact CG2-CD1 4.31Å; I800-L806 HydrophobicContact CD1-CB 4.28Å; F803-L806 HydrophobicContact CE2-CD2 4.09Å; F803-L806 HydrophobicContact CZ-CD2 4.12Å; F803-L806 WeakPolarHBondContact O-CB 3.43Å; F803-L806 PolarHBondContact O-N 3.24Å; R804-L806 PolarHBondContact O-N 3.39Å; L806-L809 HydrophobicContact CD1-CD2 4.22Å; L806-L810 HydrophobicContact CD1-CD1 3.87Å; L806-L810 HydrophobicContact CD1-CG 4.03Å; L806-L810 HydrophobicContact CG-CD1 3.89Å; L806-L810 HydrophobicContact CG-CG 4.36Å; L806-L810 PolarHBondContact O-N 3.41Å |
| 807 | N | 94.6 | Very high | 93.2 | Very high | 17 Ų | 17 | 11.4 Ų | 11.4 | 9% | 0.091 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57.9 | -53.4 | 176.7 | -165.6 | 26.6 | 0 | 0 | 0 | 111.5 | T635 N638 R804 F805 L811 | T635-N807 HydrophobicContact CG2-CB 3.83Å; N638-N807 PolarHBondContact ND2-ND2 2.73Å; R804-N807 VanDerWaalsContact O-CB 3.26Å; R804-N807 WeakPolarHBondContact O-CB 3.4Å; R804-N807 PolarHBondContact O-N 2.88Å; F805-N807 PolarHBondContact O-N 3.47Å; N807-L811 VanDerWaalsContact O-CB 3.31Å; N807-L811 WeakPolarHBondContact O-CB 3.22Å; N807-L811 WeakPolarHBondContact O-CG 3.33Å; N807-L811 PolarHBondContact O-N 3.1Å; N807-L811 VanDerWaalsContact O-N 3.1Å; N807-L811 WeakPolarHBondContact OD1-CD1 3.24Å |
| 808 | K | 94.6 | Very high | 93.4 | Very high | 22 Ų | 22 | 10.9 Ų | 10.9 | 10% | 0.096 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -73.4 | -38.4 | -179.3 | -165 | -179.7 | -177.9 | -165.7 | 0 | 111.6 | D335 D337 M338 F805 L810 V812 H813 | D335-K808 VanDerWaalsContact CG-NZ 3.26Å; D335-K808 IonicContact OD1-NZ 2.72Å; D335-K808 PolarHBondContact OD1-NZ 3.49Å; D335-K808 VanDerWaalsContact OD2-CE 3.26Å; D335-K808 WeakPolarHBondContact OD2-CE 3.34Å; D335-K808 IonicContact OD2-NZ 2.86Å; D335-K808 PolarHBondContact OD2-NZ 3.42Å; D337-K808 HydrophobicContact CB-CD 3.88Å; D337-K808 VanDerWaalsContact CB-NZ 3.28Å; D337-K808 VanDerWaalsContact CG-NZ 3.33Å; D337-K808 IonicContact OD2-NZ 3.84Å; D337-K808 PolarHBondContact OD2-NZ 3.11Å; M338-K808 HydrophobicContact CG-CB 4.43Å; M338-K808 HydrophobicContact CG-CD 4.18Å; M338-K808 HydrophobicContact SD-CB 4.31Å; F805-K808 PolarHBondContact O-N 2.92Å; K808-L810 PolarHBondContact O-N 3.48Å; K808-V812 HydrophobicContact CG-CB 4.13Å; K808-V812 HydrophobicContact CG-CG2 3.96Å; K808-V812 VanDerWaalsContact O-CB 3.31Å; K808-V812 WeakPolarHBondContact O-CB 3.49Å; K808-V812 PolarHBondContact O-N 2.97Å; K808-V812 VanDerWaalsContact O-N 3.1Å; K808-H813 PolarHBondContact O-N 3.29Å |
| 809 | L | 95.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | I | π-helix | trans | -55.8 | -46.6 | 178.1 | -179.5 | 61.7 | 0 | 0 | 0 | 112.2 | L332 M338 L358 I800 F805 L806 H813 G814 | L332-L809 HydrophobicContact CD1-CD1 3.59Å; L332-L809 HydrophobicContact CD2-CD1 4.28Å; L332-L809 HydrophobicContact CG-CD1 4.16Å; M338-L809 HydrophobicContact SD-CB 4.2Å; L358-L809 HydrophobicContact CD1-CD1 3.77Å; L358-L809 HydrophobicContact CD1-CG 4.17Å; L358-L809 HydrophobicContact CD2-CD2 4.5Å; L358-L809 HydrophobicContact CD2-CG 4.34Å; I800-L809 HydrophobicContact CG2-CD2 4.27Å; F805-L809 VanDerWaalsContact O-CB 3.31Å; F805-L809 WeakPolarHBondContact O-CB 3.25Å; F805-L809 PolarHBondContact O-N 3.02Å; L806-L809 HydrophobicContact CD1-CD2 4.22Å; L809-H813 WeakPolarHBondContact O-CB 3.39Å; L809-G814 PolarHBondContact O-N 3.5Å |
| 810 | L | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -82.1 | -57.3 | -179.5 | -65.2 | 175.6 | 0 | 0 | 0 | 112.3 | L358 V361 I364 L639 I644 L763 L806 K808 V812 G814 A815 Y893 | L358-L810 HydrophobicContact CB-CD2 4.17Å; L358-L810 HydrophobicContact CD2-CD2 3.7Å; L358-L810 VanDerWaalsContact O-CD2 3.32Å; L358-L810 WeakPolarHBondContact O-CD2 3.42Å; V361-L810 HydrophobicContact CB-CD2 4.35Å; V361-L810 HydrophobicContact CG2-CD2 3.9Å; I364-L810 HydrophobicContact CD1-CD1 3.91Å; L639-L810 HydrophobicContact CD2-CD1 3.84Å; I644-L810 HydrophobicContact CD1-CD1 4.28Å; L763-L810 HydrophobicContact CD1-CD1 4.31Å; L763-L810 HydrophobicContact CD1-CD2 3.84Å; L806-L810 HydrophobicContact CD1-CD1 3.87Å; L806-L810 HydrophobicContact CD1-CG 4.03Å; L806-L810 HydrophobicContact CG-CD1 3.89Å; L806-L810 HydrophobicContact CG-CG 4.36Å; L806-L810 PolarHBondContact O-N 3.41Å; K808-L810 PolarHBondContact O-N 3.48Å; L810-V812 VanDerWaalsContact C-N 3.3Å; L810-V812 PolarHBondContact O-N 2.67Å; L810-G814 WeakPolarHBondContact O-CA 3.35Å; L810-G814 PolarHBondContact O-N 3.41Å; L810-A815 PolarHBondContact O-N 3Å; L810-Y893 HydrophobicContact CB-CE2 4.45Å; L810-Y893 WeakPolarHBondContact O-CE2 3.45Å |
| 811 | L | 94.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 12.2 Ų | 12.2 | 3% | 0.026 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -68.9 | -28.3 | -169.2 | -59.5 | -175.3 | 0 | 0 | 0 | 113.3 | N638 A642 N807 A815 P890 Y893 | N638-L811 HydrophobicContact CB-CD1 4.44Å; A642-L811 HydrophobicContact CB-CD2 3.68Å; N807-L811 VanDerWaalsContact O-CB 3.31Å; N807-L811 WeakPolarHBondContact O-CB 3.22Å; N807-L811 WeakPolarHBondContact O-CG 3.33Å; N807-L811 PolarHBondContact O-N 3.1Å; N807-L811 VanDerWaalsContact O-N 3.1Å; N807-L811 WeakPolarHBondContact OD1-CD1 3.24Å; L811-A815 VanDerWaalsContact O-CB 3.31Å; L811-A815 WeakPolarHBondContact O-CB 3.32Å; L811-P890 HydrophobicContact CD1-CB 3.79Å; L811-P890 HydrophobicContact CD1-CG 4.04Å; L811-P890 HydrophobicContact CD2-CB 4.32Å; L811-Y893 HydrophobicContact CD2-CD2 3.97Å; L811-Y893 HydrophobicContact CD2-CG 3.89Å |
| 812 | V | 93.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.006 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -104.9 | -68.3 | -178.6 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | K808 L810 W816 V883 C886 L887 | K808-V812 HydrophobicContact CG-CB 4.13Å; K808-V812 HydrophobicContact CG-CG2 3.96Å; K808-V812 VanDerWaalsContact O-CB 3.31Å; K808-V812 WeakPolarHBondContact O-CB 3.49Å; K808-V812 PolarHBondContact O-N 2.97Å; K808-V812 VanDerWaalsContact O-N 3.1Å; L810-V812 VanDerWaalsContact C-N 3.3Å; L810-V812 PolarHBondContact O-N 2.67Å; V812-W816 HydrophobicContact CG1-CD2 4Å; V812-W816 HydrophobicContact CG1-CE3 4.01Å; V812-W816 HydrophobicContact CG1-CH2 4.04Å; V812-W816 HydrophobicContact CG1-CZ2 3.97Å; V812-W816 HydrophobicContact CG1-CZ3 4.04Å; V812-W816 VanDerWaalsContact O-CB 3.27Å; V812-W816 WeakPolarHBondContact O-CB 3.44Å; V812-W816 PolarHBondContact O-N 2.65Å; V812-V883 HydrophobicContact CG1-CB 4.49Å; V812-V883 HydrophobicContact CG1-CG1 4.24Å; V812-V883 HydrophobicContact CG1-CG2 4.08Å; V812-V883 HydrophobicContact CG2-CG1 4.07Å; V812-C886 HydrophobicContact CG2-CB 3.95Å; V812-L887 HydrophobicContact CG2-CD2 3.96Å; V812-L887 HydrophobicContact CG2-CG 3.97Å |
| 813 | H | 94.5 | Very high | 93.5 | Very high | 17 Ų | 17 | 13.1 Ų | 13.1 | 8% | 0.079 | 6% | 0.056 | C | C | . | . | I | π-helix | trans | -65 | -47.6 | -174.1 | -72.1 | -70.9 | 0 | 0 | 0 | 111.7 | L332 D335 M338 K808 L809 W816 N817 | L332-H813 HydrophobicContact CD1-CB 4.45Å; D335-H813 IonicContact OD2-CD2 2.83Å; D335-H813 IonicContact OD2-CE1 2.77Å; D335-H813 IonicContact OD2-NE2 2.75Å; D335-H813 PolarHBondContact OD2-NE2 3.12Å; M338-H813 WeakPolarHBondContact CE-NE2 3.27Å; K808-H813 PolarHBondContact O-N 3.29Å; L809-H813 WeakPolarHBondContact O-CB 3.39Å; H813-W816 PolarHBondContact O-N 3.19Å; H813-N817 WeakPolarHBondContact O-CB 3.35Å; H813-N817 PolarHBondContact O-N 3.2Å; H813-N817 PolarHBondContact O-ND2 3.11Å; H813-N817 VanDerWaalsContact O-ND2 3.14Å |
| 814 | G | 93.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | I | π-helix | trans | -58.5 | -52.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G359 L809 L810 W816 N817 Y818 | G359-G814 VanDerWaalsContact CA-C 3.43Å; G359-G814 WeakPolarHBondContact CA-O 3.42Å; L809-G814 PolarHBondContact O-N 3.5Å; L810-G814 WeakPolarHBondContact O-CA 3.35Å; L810-G814 PolarHBondContact O-N 3.41Å; G814-W816 VanDerWaalsContact C-N 3.33Å; G814-W816 PolarHBondContact O-N 2.91Å; G814-N817 PolarHBondContact O-N 3Å; G814-Y818 WeakPolarHBondContact O-CB 3.27Å; G814-Y818 PolarHBondContact O-N 3.11Å |
| 815 | A | 91.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 8.8 Ų | 8.8 | 3% | 0.025 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -61.9 | -38.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | L810 L811 N819 Y893 T896 | L810-A815 PolarHBondContact O-N 3Å; L811-A815 VanDerWaalsContact O-CB 3.31Å; L811-A815 WeakPolarHBondContact O-CB 3.32Å; A815-N819 PolarHBondContact O-N 3.48Å; A815-N819 PolarHBondContact O-ND2 2.98Å; A815-Y893 HydrophobicContact CB-CD2 4.25Å; A815-T896 HydrophobicContact CB-CG2 4.41Å |
| 816 | W | 92.8 | Very high | 93.4 | Very high | 23 Ų | 23 | 8.5 Ų | 8.5 | 9% | 0.087 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -69.6 | -48.2 | 176.2 | -74.7 | 0.1 | 0 | 0 | 0 | 111.9 | V812 H813 G814 Y818 N819 R820 C881 V883 | V812-W816 HydrophobicContact CG1-CD2 4Å; V812-W816 HydrophobicContact CG1-CE3 4.01Å; V812-W816 HydrophobicContact CG1-CH2 4.04Å; V812-W816 HydrophobicContact CG1-CZ2 3.97Å; V812-W816 HydrophobicContact CG1-CZ3 4.04Å; V812-W816 VanDerWaalsContact O-CB 3.27Å; V812-W816 WeakPolarHBondContact O-CB 3.44Å; V812-W816 PolarHBondContact O-N 2.65Å; H813-W816 PolarHBondContact O-N 3.19Å; G814-W816 VanDerWaalsContact C-N 3.33Å; G814-W816 PolarHBondContact O-N 2.91Å; W816-Y818 PolarHBondContact O-N 2.87Å; W816-N819 PolarHBondContact O-N 2.62Å; W816-R820 WeakPolarHBondContact O-CB 3.27Å; W816-R820 WeakPolarHBondContact O-CD 3.49Å; W816-R820 WeakPolarHBondContact O-CG 3.38Å; W816-R820 PolarHBondContact O-N 3.43Å; W816-C881 WeakPolarHBondContact CZ2-O 3.49Å; W816-C881 PolarHBondContact NE1-O 3.14Å; W816-C881 VanDerWaalsContact NE1-O 3.13Å; W816-V883 HydrophobicContact CH2-CG2 3.37Å; W816-V883 HydrophobicContact CZ2-CG2 3.73Å; W816-V883 HydrophobicContact CZ3-CG2 4.33Å |
| 817 | N | 93.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 8.5 Ų | 8.5 | 1% | 0.011 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | -177.6 | -68.8 | -18.2 | 0 | 0 | 0 | 111.6 | N355 H813 G814 R820 L821 | N355-N817 HydrophobicContact CB-CB 4.23Å; N355-N817 WeakPolarHBondContact O-CB 3.4Å; H813-N817 WeakPolarHBondContact O-CB 3.35Å; H813-N817 PolarHBondContact O-N 3.2Å; H813-N817 PolarHBondContact O-ND2 3.11Å; H813-N817 VanDerWaalsContact O-ND2 3.14Å; G814-N817 PolarHBondContact O-N 3Å; N817-R820 PolarHBondContact O-N 3.23Å; N817-L821 VanDerWaalsContact O-CB 3.3Å; N817-L821 WeakPolarHBondContact O-CB 3.28Å; N817-L821 PolarHBondContact O-N 3.21Å |
| 818 | Y | 92.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -56.2 | -55.5 | 174 | 178.6 | -99.7 | 0 | 0 | 0 | 111.6 | V247 Q360 G814 W816 R820 L821 T822 T896 S899 | V247-Y818 HydrophobicContact CG2-CD2 4.14Å; V247-Y818 HydrophobicContact CG2-CE2 3.83Å; Q360-Y818 HydrophobicContact CG-CD2 3.72Å; Q360-Y818 HydrophobicContact CG-CE2 3.68Å; Q360-Y818 HydrophobicContact CG-CG 4.47Å; G814-Y818 WeakPolarHBondContact O-CB 3.27Å; G814-Y818 PolarHBondContact O-N 3.11Å; W816-Y818 PolarHBondContact O-N 2.87Å; Y818-R820 PolarHBondContact O-N 3.36Å; Y818-L821 PolarHBondContact O-N 2.95Å; Y818-T822 WeakPolarHBondContact O-CB 3.36Å; Y818-T822 PolarHBondContact O-N 3.42Å; Y818-T822 PolarHBondContact O-OG1 2.65Å; Y818-T896 HydrophobicContact CD1-CG2 3.86Å; Y818-T896 HydrophobicContact CE1-CG2 4.48Å; Y818-S899 WeakPolarHBondContact OH-CA 3.46Å |
| 819 | N | 91 | Very high | 93.2 | Very high | 16 Ų | 16 | 6.8 Ų | 6.8 | 9% | 0.086 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | -177.7 | -74 | -55.5 | 0 | 0 | 0 | 113.3 | A815 W816 K823 R1047 | A815-N819 PolarHBondContact O-N 3.48Å; A815-N819 PolarHBondContact O-ND2 2.98Å; W816-N819 PolarHBondContact O-N 2.62Å; N819-K823 WeakPolarHBondContact O-CB 3.42Å; N819-K823 WeakPolarHBondContact O-CG 3.14Å; N819-K823 PolarHBondContact O-N 3.44Å; N819-K823 VanDerWaalsContact O-N 3.17Å; N819-R1047 PolarHBondContact ND2-NH1 2.92Å; N819-R1047 PolarHBondContact ND2-NH2 3.44Å |
| 820 | R | 93.1 | Very high | 93.2 | Very high | 18 Ų | 18 | 6.7 Ų | 6.7 | 7% | 0.068 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -60.6 | -49.1 | 176.8 | -75.5 | 166.1 | -178.1 | 167.3 | -0.4 | 111 | W816 N817 Y818 K823 L824 G875 D878 | W816-R820 WeakPolarHBondContact O-CB 3.27Å; W816-R820 WeakPolarHBondContact O-CD 3.49Å; W816-R820 WeakPolarHBondContact O-CG 3.38Å; W816-R820 PolarHBondContact O-N 3.43Å; N817-R820 PolarHBondContact O-N 3.23Å; Y818-R820 PolarHBondContact O-N 3.36Å; R820-K823 PolarHBondContact O-N 2.92Å; R820-L824 WeakPolarHBondContact O-CB 3.35Å; R820-L824 PolarHBondContact O-N 2.85Å; R820-G875 WeakPolarHBondContact CB-O 3.09Å; R820-G875 WeakPolarHBondContact CD-O 3.45Å; R820-D878 HydrophobicContact CG-CB 4.32Å; R820-D878 VanDerWaalsContact CZ-O 3.27Å; R820-D878 PolarHBondContact NE-O 3.46Å; R820-D878 PolarHBondContact NH2-O 3.37Å |
| 821 | L | 92.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -68.3 | -44.3 | -176.1 | -158.6 | 72 | 0 | 0 | 0 | 111.7 | V247 L321 V324 E356 N817 Y818 K823 L824 I825 | V247-L821 HydrophobicContact CG1-CD2 4.4Å; L321-L821 HydrophobicContact CD2-CD1 3.3Å; L321-L821 HydrophobicContact CD2-CD2 4.39Å; L321-L821 HydrophobicContact CD2-CG 3.79Å; V324-L821 HydrophobicContact CG1-CD1 4.43Å; E356-L821 HydrophobicContact CB-CB 4.41Å; E356-L821 HydrophobicContact CB-CD2 3.75Å; E356-L821 HydrophobicContact CG-CD2 3.59Å; E356-L821 WeakPolarHBondContact OE1-CD2 3.39Å; E356-L821 WeakPolarHBondContact OE2-CD2 3.46Å; N817-L821 VanDerWaalsContact O-CB 3.3Å; N817-L821 WeakPolarHBondContact O-CB 3.28Å; N817-L821 PolarHBondContact O-N 3.21Å; Y818-L821 PolarHBondContact O-N 2.95Å; L821-K823 PolarHBondContact O-N 2.99Å; L821-L824 WeakPolarHBondContact O-CB 3.2Å; L821-L824 PolarHBondContact O-N 3.47Å; L821-I825 HydrophobicContact CD2-CD1 4.49Å; L821-I825 HydrophobicContact CG-CD1 4.09Å; L821-I825 VanDerWaalsContact O-CG1 3.28Å; L821-I825 WeakPolarHBondContact O-CG1 3.07Å; L821-I825 PolarHBondContact O-N 2.91Å |
| 822 | T | 92 | Very high | 93 | Very high | 3 Ų | 3 | 6.6 Ų | 6.6 | 2% | 0.018 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -55.8 | -49.1 | 176.2 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | Y818 I825 L826 S901 F902 | Y818-T822 WeakPolarHBondContact O-CB 3.36Å; Y818-T822 PolarHBondContact O-N 3.42Å; Y818-T822 PolarHBondContact O-OG1 2.65Å; T822-I825 PolarHBondContact O-N 3.34Å; T822-L826 HydrophobicContact CG2-CD1 3.95Å; T822-L826 WeakPolarHBondContact O-CG 3.34Å; T822-L826 PolarHBondContact O-N 3.42Å; T822-L826 VanDerWaalsContact O-N 3.1Å; T822-S901 WeakPolarHBondContact CG2-O 3.46Å; T822-F902 HydrophobicContact CG2-CB 3.53Å; T822-F902 HydrophobicContact CG2-CD2 3.65Å; T822-F902 HydrophobicContact CG2-CG 3.88Å |
| 823 | K | 91.9 | Very high | 93 | Very high | 44 Ų | 44 | 6.7 Ų | 6.7 | 19% | 0.191 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -64.3 | -40.7 | 177.9 | -74.9 | -177.6 | -177.8 | -174.2 | 0 | 111.8 | N819 R820 L821 I825 L826 Y827 L874 D878 E965 T967 | N819-K823 WeakPolarHBondContact O-CB 3.42Å; N819-K823 WeakPolarHBondContact O-CG 3.14Å; N819-K823 PolarHBondContact O-N 3.44Å; N819-K823 VanDerWaalsContact O-N 3.17Å; R820-K823 PolarHBondContact O-N 2.92Å; L821-K823 PolarHBondContact O-N 2.99Å; K823-I825 PolarHBondContact O-N 3.21Å; K823-L826 PolarHBondContact O-N 3.47Å; K823-Y827 VanDerWaalsContact O-CB 3.22Å; K823-Y827 WeakPolarHBondContact O-CB 3.17Å; K823-Y827 PolarHBondContact O-N 3.24Å; K823-L874 HydrophobicContact CB-CD1 4.41Å; K823-L874 HydrophobicContact CB-CD2 3.24Å; K823-L874 HydrophobicContact CB-CG 4.36Å; K823-L874 HydrophobicContact CD-CD2 4.12Å; K823-L874 HydrophobicContact CG-CD2 4.36Å; K823-D878 IonicContact NZ-OD2 3.86Å; K823-D878 PolarHBondContact NZ-OD2 3.31Å; K823-E965 PolarHBondContact NZ-O 3.24Å; K823-T967 PolarHBondContact NZ-OG1 3.05Å |
| 824 | L | 94 | Very high | 93 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 176.8 | 178.3 | 165.8 | 0 | 0 | 0 | 111.3 | L317 L321 V324 R820 L821 S828 P871 L874 | L317-L824 HydrophobicContact CD1-CD2 3.88Å; L321-L824 HydrophobicContact CD2-CD2 3.7Å; L321-L824 HydrophobicContact CG-CD2 4.31Å; V324-L824 HydrophobicContact CB-CD1 4.24Å; V324-L824 HydrophobicContact CG1-CD1 4.27Å; V324-L824 HydrophobicContact CG2-CD1 3.73Å; R820-L824 WeakPolarHBondContact O-CB 3.35Å; R820-L824 PolarHBondContact O-N 2.85Å; L821-L824 WeakPolarHBondContact O-CB 3.2Å; L821-L824 PolarHBondContact O-N 3.47Å; L824-S828 VanDerWaalsContact O-CB 3.28Å; L824-S828 WeakPolarHBondContact O-CB 3.14Å; L824-S828 PolarHBondContact O-N 3.14Å; L824-S828 PolarHBondContact O-OG 3.45Å; L824-P871 WeakPolarHBondContact CD1-O 3.2Å; L824-P871 HydrophobicContact CG-CB 4.07Å; L824-L874 HydrophobicContact CB-CD2 4.33Å |
| 825 | I | 93.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -61.7 | -51.7 | -179.8 | -67.1 | 161.8 | 0 | 0 | 0 | 110.3 | V247 T251 L317 L321 L821 T822 K823 Y827 S828 F829 F902 | V247-I825 HydrophobicContact CG1-CD1 3.53Å; T251-I825 HydrophobicContact CG2-CG2 4.13Å; L317-I825 HydrophobicContact CD1-CG1 4.31Å; L321-I825 HydrophobicContact CD1-CG1 4.35Å; L321-I825 HydrophobicContact CD2-CD1 4.11Å; L321-I825 HydrophobicContact CD2-CG1 3.7Å; L821-I825 HydrophobicContact CD2-CD1 4.49Å; L821-I825 HydrophobicContact CG-CD1 4.09Å; L821-I825 VanDerWaalsContact O-CG1 3.28Å; L821-I825 WeakPolarHBondContact O-CG1 3.07Å; L821-I825 PolarHBondContact O-N 2.91Å; T822-I825 PolarHBondContact O-N 3.34Å; K823-I825 PolarHBondContact O-N 3.21Å; I825-Y827 PolarHBondContact O-N 2.81Å; I825-S828 PolarHBondContact O-N 2.9Å; I825-F829 HydrophobicContact CG2-CD2 3.81Å; I825-F829 HydrophobicContact CG2-CE2 3.39Å; I825-F829 HydrophobicContact CG2-CZ 4.34Å; I825-F829 VanDerWaalsContact O-CD2 3.29Å; I825-F829 WeakPolarHBondContact O-CD2 3.3Å; I825-F829 PolarHBondContact O-N 3.34Å; I825-F902 HydrophobicContact CB-CE2 4.44Å; I825-F902 HydrophobicContact CD1-CZ 4.45Å; I825-F902 HydrophobicContact CG2-CE2 3.97Å; I825-F902 HydrophobicContact CG2-CZ 3.97Å |
| 826 | L | 93.4 | Very high | 92.9 | Very high | 6 Ų | 6 | 5.9 Ų | 5.9 | 3% | 0.031 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | -179.3 | -68.4 | 170 | 0 | 0 | 0 | 111.9 | T822 K823 S828 F829 Y830 F902 V906 F907 W910 | T822-L826 HydrophobicContact CG2-CD1 3.95Å; T822-L826 WeakPolarHBondContact O-CG 3.34Å; T822-L826 PolarHBondContact O-N 3.42Å; T822-L826 VanDerWaalsContact O-N 3.1Å; K823-L826 PolarHBondContact O-N 3.47Å; L826-S828 VanDerWaalsContact C-N 3.34Å; L826-S828 PolarHBondContact O-N 3.1Å; L826-F829 PolarHBondContact O-N 2.75Å; L826-Y830 WeakPolarHBondContact O-CB 3.44Å; L826-Y830 PolarHBondContact O-N 3.24Å; L826-F902 HydrophobicContact CD1-CD2 4.31Å; L826-F902 HydrophobicContact CD2-CD2 4.18Å; L826-F902 HydrophobicContact CD2-CE2 4.02Å; L826-F902 HydrophobicContact CG-CD2 4.16Å; L826-F902 HydrophobicContact CG-CE2 4.15Å; L826-V906 HydrophobicContact CD1-CG1 3.77Å; L826-V906 HydrophobicContact CD2-CG1 4.5Å; L826-F907 HydrophobicContact CD2-CB 4.34Å; L826-F907 HydrophobicContact CD2-CD2 4.33Å; L826-W910 HydrophobicContact CB-CD2 4.09Å; L826-W910 HydrophobicContact CB-CG 4.2Å; L826-W910 HydrophobicContact CB-CZ2 4.38Å; L826-W910 HydrophobicContact CD2-CG 4.43Å |
| 827 | Y | 94.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 0% | 0.004 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -63.1 | -39.7 | 176.3 | 176.6 | -101.5 | 0 | 0 | 0 | 112.2 | K823 I825 Y830 K831 P870 P871 V958 A962 | K823-Y827 VanDerWaalsContact O-CB 3.22Å; K823-Y827 WeakPolarHBondContact O-CB 3.17Å; K823-Y827 PolarHBondContact O-N 3.24Å; I825-Y827 PolarHBondContact O-N 2.81Å; Y827-Y830 HydrophobicContact CD2-CD1 4.16Å; Y827-Y830 HydrophobicContact CE2-CD1 4.34Å; Y827-Y830 HydrophobicContact CE2-CE1 4.42Å; Y827-Y830 PolarHBondContact O-N 2.86Å; Y827-K831 HydrophobicContact CD1-CD 4.25Å; Y827-K831 HydrophobicContact CE1-CD 3.83Å; Y827-K831 PolarHBondContact O-N 3.48Å; Y827-P870 HydrophobicContact CE1-CB 4.31Å; Y827-P871 HydrophobicContact CD1-CB 4.02Å; Y827-P871 HydrophobicContact CD1-CG 3.79Å; Y827-P871 HydrophobicContact CE1-CB 4.3Å; Y827-P871 HydrophobicContact CE1-CG 3.63Å; Y827-V958 HydrophobicContact CE2-CG1 4.34Å; Y827-V958 WeakPolarHBondContact OH-CG1 3.46Å; Y827-V958 PolarHBondContact OH-O 3.41Å; Y827-A962 HydrophobicContact CD2-CB 4.38Å; Y827-A962 HydrophobicContact CE1-CB 4.21Å; Y827-A962 HydrophobicContact CE2-CB 3.53Å; Y827-A962 VanDerWaalsContact CZ-CB 3.42Å; Y827-A962 VanDerWaalsContact OH-CB 3.27Å; Y827-A962 WeakPolarHBondContact OH-CB 3.46Å |
| 828 | S | 92.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.007 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -67.2 | -36.5 | 179.5 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | L824 I825 L826 K831 N832 | L824-S828 VanDerWaalsContact O-CB 3.28Å; L824-S828 WeakPolarHBondContact O-CB 3.14Å; L824-S828 PolarHBondContact O-N 3.14Å; L824-S828 PolarHBondContact O-OG 3.45Å; I825-S828 PolarHBondContact O-N 2.9Å; L826-S828 VanDerWaalsContact C-N 3.34Å; L826-S828 PolarHBondContact O-N 3.1Å; S828-K831 WeakPolarHBondContact O-CG 3.08Å; S828-N832 PolarHBondContact O-N 3.42Å; S828-N832 PolarHBondContact O-ND2 3.31Å |
| 829 | F | 93.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 0% | 0.004 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -67.1 | -48.9 | 170.6 | -71 | -52.5 | 0 | 0 | 0 | 111.2 | T251 I255 L258 P314 L317 I825 L826 K831 N832 V833 F907 I911 | T251-F829 HydrophobicContact CG2-CE2 4.28Å; T251-F829 HydrophobicContact CG2-CZ 4.01Å; I255-F829 HydrophobicContact CG1-CE1 4.04Å; I255-F829 HydrophobicContact CG1-CZ 3.89Å; L258-F829 HydrophobicContact CD1-CD1 3.2Å; L258-F829 HydrophobicContact CD1-CE1 3.42Å; L258-F829 VanDerWaalsContact CD1-CE1 3.42Å; L258-F829 HydrophobicContact CD1-CG 4Å; L258-F829 HydrophobicContact CD1-CZ 4.33Å; P314-F829 HydrophobicContact CG-CD1 3.84Å; P314-F829 HydrophobicContact CG-CE1 3.83Å; L317-F829 HydrophobicContact CD2-CE1 3.89Å; L317-F829 HydrophobicContact CD2-CE2 4.3Å; L317-F829 HydrophobicContact CD2-CZ 3.71Å; I825-F829 HydrophobicContact CG2-CD2 3.81Å; I825-F829 HydrophobicContact CG2-CE2 3.39Å; I825-F829 HydrophobicContact CG2-CZ 4.34Å; I825-F829 VanDerWaalsContact O-CD2 3.29Å; I825-F829 WeakPolarHBondContact O-CD2 3.3Å; I825-F829 PolarHBondContact O-N 3.34Å; L826-F829 PolarHBondContact O-N 2.75Å; F829-K831 PolarHBondContact O-N 3.04Å; F829-N832 PolarHBondContact O-N 3.21Å; F829-V833 WeakPolarHBondContact O-CG2 3.12Å; F829-V833 PolarHBondContact O-N 3.45Å; F829-F907 HydrophobicContact CB-CE2 4.41Å; F829-F907 HydrophobicContact CD2-CD2 4.27Å; F829-F907 AromaticContact CD2-CE2 3.78Å; F829-F907 HydrophobicContact CD2-CE2 3.78Å; F829-F907 HydrophobicContact CE2-CE2 4.2Å; F829-F907 HydrophobicContact CG-CE2 4.13Å; F829-I911 HydrophobicContact CB-CD1 4.46Å |
| 830 | Y | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -54.6 | -48.8 | 179.1 | 156.7 | -89.9 | 0 | 0 | 0 | 112.5 | L826 Y827 N832 C834 W910 S914 H917 V958 K961 | L826-Y830 WeakPolarHBondContact O-CB 3.44Å; L826-Y830 PolarHBondContact O-N 3.24Å; Y827-Y830 HydrophobicContact CD2-CD1 4.16Å; Y827-Y830 HydrophobicContact CE2-CD1 4.34Å; Y827-Y830 HydrophobicContact CE2-CE1 4.42Å; Y827-Y830 PolarHBondContact O-N 2.86Å; Y830-N832 VanDerWaalsContact C-N 3.31Å; Y830-N832 PolarHBondContact O-N 3.48Å; Y830-C834 WeakPolarHBondContact O-CB 3.46Å; Y830-C834 PolarHBondContact O-N 3.39Å; Y830-W910 HydrophobicContact CD1-CZ3 4.49Å; Y830-W910 HydrophobicContact CD2-CE3 4.33Å; Y830-W910 AromaticContact CG-CE3 3.97Å; Y830-W910 HydrophobicContact CG-CE3 3.97Å; Y830-W910 HydrophobicContact CG-CZ3 4.28Å; Y830-S914 WeakPolarHBondContact O-CB 3.29Å; Y830-H917 AromaticContact CE2-ND1 3.61Å; Y830-H917 AromaticContact CZ-ND1 3.56Å; Y830-H917 PolarHBondContact OH-ND1 3.49Å; Y830-V958 HydrophobicContact CE1-CG2 4.28Å; Y830-K961 HydrophobicContact CD1-CG 4.46Å; Y830-K961 HydrophobicContact CE1-CB 4.24Å; Y830-K961 HydrophobicContact CE1-CG 3.68Å |
| 831 | K | 93.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 7.3 Ų | 7.3 | 1% | 0.009 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -65.9 | -32.3 | -176 | 78.5 | -174.4 | -173.8 | 79 | 0 | 113.4 | Y827 S828 F829 L835 Y862 N863 T867 P871 V958 | Y827-K831 HydrophobicContact CD1-CD 4.25Å; Y827-K831 HydrophobicContact CE1-CD 3.83Å; Y827-K831 PolarHBondContact O-N 3.48Å; S828-K831 WeakPolarHBondContact O-CG 3.08Å; F829-K831 PolarHBondContact O-N 3.04Å; K831-L835 PolarHBondContact O-N 3.09Å; K831-Y862 PolarHBondContact O-OH 3.3Å; K831-N863 PolarHBondContact NZ-OD1 2.85Å; K831-T867 PolarHBondContact NZ-OG1 3.14Å; K831-P871 HydrophobicContact CD-CG 4.22Å; K831-V958 HydrophobicContact CB-CG1 3.62Å |
| 832 | N | 92.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -77.2 | -50.1 | 179.6 | -82.2 | -85.8 | 0 | 0 | 0 | 110.5 | T311 P314 S828 F829 Y830 C834 L835 Y836 N863 | T311-N832 PolarHBondContact O-OD1 3Å; P314-N832 HydrophobicContact CB-CB 4.48Å; P314-N832 WeakPolarHBondContact CB-ND2 3.44Å; S828-N832 PolarHBondContact O-N 3.42Å; S828-N832 PolarHBondContact O-ND2 3.31Å; F829-N832 PolarHBondContact O-N 3.21Å; Y830-N832 VanDerWaalsContact C-N 3.31Å; Y830-N832 PolarHBondContact O-N 3.48Å; N832-C834 PolarHBondContact O-N 3.36Å; N832-L835 PolarHBondContact O-N 2.9Å; N832-Y836 HydrophobicContact CB-CD2 4.31Å; N832-Y836 HydrophobicContact CB-CE2 4.4Å; N832-Y836 WeakPolarHBondContact O-CD2 3.43Å; N832-Y836 PolarHBondContact O-N 3.4Å; N832-N863 PolarHBondContact ND2-OD1 2.76Å; N832-N863 VanDerWaalsContact OD1-CG 3.27Å; N832-N863 PolarHBondContact OD1-ND2 2.88Å; N832-N863 PolarHBondContact OD1-OD1 3.2Å |
| 833 | V | 93.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 8.1 Ų | 8.1 | 2% | 0.018 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -58 | -38.8 | 176.4 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | L258 M312 F829 L835 L837 I911 S914 | L258-V833 HydrophobicContact CD2-CG2 4.11Å; M312-V833 HydrophobicContact CE-CG1 4.18Å; M312-V833 HydrophobicContact CE-CG2 3.91Å; M312-V833 HydrophobicContact CG-CG2 3.93Å; F829-V833 WeakPolarHBondContact O-CG2 3.12Å; F829-V833 PolarHBondContact O-N 3.45Å; V833-L835 PolarHBondContact O-N 2.95Å; V833-L837 WeakPolarHBondContact O-CB 3.4Å; V833-L837 PolarHBondContact O-N 2.94Å; V833-I911 HydrophobicContact CG2-CD1 3.98Å; V833-S914 WeakPolarHBondContact CB-OG 3.22Å; V833-S914 WeakPolarHBondContact CG1-OG 3.27Å |
| 834 | C | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 178.5 | -171.6 | 0 | 0 | 0 | 0 | 113.3 | Y830 N832 I838 S918 | Y830-C834 WeakPolarHBondContact O-CB 3.46Å; Y830-C834 PolarHBondContact O-N 3.39Å; N832-C834 PolarHBondContact O-N 3.36Å; C834-I838 WeakPolarHBondContact O-CG1 3.16Å; C834-S918 VanDerWaalsContact O-CB 3.25Å; C834-S918 WeakPolarHBondContact O-CB 3.45Å |
| 835 | L | 92.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -73.7 | -45.4 | 179.9 | -179.2 | 71.7 | 0 | 0 | 0 | 111.5 | K831 N832 V833 I838 F854 Y862 Y951 V954 | K831-L835 PolarHBondContact O-N 3.09Å; N832-L835 PolarHBondContact O-N 2.9Å; V833-L835 PolarHBondContact O-N 2.95Å; L835-I838 WeakPolarHBondContact O-CB 3.47Å; L835-I838 PolarHBondContact O-N 3.17Å; L835-F854 HydrophobicContact CD1-CD2 4.14Å; L835-F854 HydrophobicContact CD1-CE2 3.48Å; L835-F854 VanDerWaalsContact CD1-CE2 3.48Å; L835-F854 HydrophobicContact CD1-CZ 3.69Å; L835-F854 HydrophobicContact CG-CE2 4.06Å; L835-Y862 HydrophobicContact CB-CD1 4.49Å; L835-Y862 HydrophobicContact CB-CE1 3.95Å; L835-Y862 HydrophobicContact CD2-CD1 3.4Å; L835-Y862 VanDerWaalsContact CD2-CD1 3.4Å; L835-Y862 HydrophobicContact CD2-CD2 3.81Å; L835-Y862 HydrophobicContact CD2-CE1 3.73Å; L835-Y862 HydrophobicContact CD2-CE2 4.12Å; L835-Y862 HydrophobicContact CD2-CG 3.43Å; L835-Y862 VanDerWaalsContact CD2-CG 3.43Å; L835-Y862 HydrophobicContact CG-CE1 4.44Å; L835-Y951 HydrophobicContact CD1-CD2 3.97Å; L835-Y951 HydrophobicContact CD1-CE2 4.16Å; L835-Y951 HydrophobicContact CD2-CE2 4.27Å; L835-V954 HydrophobicContact CB-CG1 4.3Å; L835-V954 HydrophobicContact CD1-CB 4.35Å; L835-V954 HydrophobicContact CD1-CG1 3.96Å; L835-V954 HydrophobicContact CD1-CG2 4.34Å |
| 836 | Y | 89.8 | Confident | 92.5 | Very high | 4 Ų | 4 | 14.7 Ų | 14.7 | 2% | 0.016 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -79.9 | -25.1 | -169.7 | -64.1 | -61.6 | 0 | 0 | 0 | 113.3 | T311 N832 I838 Q839 I859 N863 | T311-Y836 VanDerWaalsContact C-CD2 3.44Å; T311-Y836 WeakPolarHBondContact CB-OH 3.39Å; T311-Y836 HydrophobicContact CG2-CE1 4.1Å; T311-Y836 HydrophobicContact CG2-CE2 4.42Å; T311-Y836 WeakPolarHBondContact O-CD2 3.32Å; T311-Y836 WeakPolarHBondContact O-CE2 3.35Å; T311-Y836 WeakPolarHBondContact OG1-CD1 3.44Å; T311-Y836 WeakPolarHBondContact OG1-CD2 3.29Å; T311-Y836 WeakPolarHBondContact OG1-CE1 3.4Å; T311-Y836 WeakPolarHBondContact OG1-CE2 3.2Å; N832-Y836 HydrophobicContact CB-CD2 4.31Å; N832-Y836 HydrophobicContact CB-CE2 4.4Å; N832-Y836 WeakPolarHBondContact O-CD2 3.43Å; N832-Y836 PolarHBondContact O-N 3.4Å; Y836-I838 PolarHBondContact O-N 2.69Å; Y836-Q839 WeakPolarHBondContact O-CB 3.33Å; Y836-Q839 PolarHBondContact O-N 2.86Å; Y836-Q839 VanDerWaalsContact O-N 3.15Å; Y836-I859 HydrophobicContact CE1-CG2 3.79Å; Y836-I859 PolarHBondContact OH-O 2.92Å; Y836-N863 PolarHBondContact OH-ND2 2.96Å |
| 837 | L | 92.6 | Very high | 92.2 | Very high | 17 Ų | 17 | 14.6 Ų | 14.6 | 9% | 0.089 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.5 | -20.5 | 171.5 | -160.8 | 67.8 | 0 | 0 | 0 | 112.5 | L265 V833 Q839 F840 W841 I915 S918 | L265-L837 HydrophobicContact CD1-CD1 4.12Å; V833-L837 WeakPolarHBondContact O-CB 3.4Å; V833-L837 PolarHBondContact O-N 2.94Å; L837-Q839 VanDerWaalsContact C-N 3.25Å; L837-Q839 PolarHBondContact O-N 2.88Å; L837-F840 HydrophobicContact CD1-CB 3.97Å; L837-F840 HydrophobicContact CD1-CD1 4.21Å; L837-F840 HydrophobicContact CD1-CG 4.24Å; L837-F840 WeakPolarHBondContact O-CA 3.43Å; L837-F840 VanDerWaalsContact O-CB 3.32Å; L837-F840 WeakPolarHBondContact O-CB 3.37Å; L837-F840 PolarHBondContact O-N 2.73Å; L837-F840 VanDerWaalsContact O-N 3.08Å; L837-W841 HydrophobicContact CD2-CZ2 3.96Å; L837-W841 HydrophobicContact CG-CZ2 4.28Å; L837-W841 VanDerWaalsContact O-CD1 3.24Å; L837-W841 PolarHBondContact O-N 3.17Å; L837-I915 HydrophobicContact CD2-CB 4.02Å; L837-I915 HydrophobicContact CD2-CG1 3.62Å; L837-I915 HydrophobicContact CD2-CG2 4.01Å; L837-S918 WeakPolarHBondContact CD2-OG 3.43Å |
| 838 | I | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.7 | -34.8 | 171.4 | -65.6 | 171.4 | 0 | 0 | 0 | 111.5 | C834 L835 Y836 F840 W841 F842 F854 L921 F922 V950 V954 | C834-I838 WeakPolarHBondContact O-CG1 3.16Å; L835-I838 WeakPolarHBondContact O-CB 3.47Å; L835-I838 PolarHBondContact O-N 3.17Å; Y836-I838 PolarHBondContact O-N 2.69Å; I838-F840 VanDerWaalsContact C-N 3.27Å; I838-F840 PolarHBondContact O-N 3.42Å; I838-W841 PolarHBondContact O-N 2.97Å; I838-F842 PolarHBondContact O-N 3.43Å; I838-F854 HydrophobicContact CB-CZ 4.37Å; I838-F854 HydrophobicContact CG2-CE2 4.35Å; I838-F854 HydrophobicContact CG2-CZ 3.92Å; I838-L921 HydrophobicContact CD1-CB 4.21Å; I838-F922 HydrophobicContact CG1-CB 4.32Å; I838-F922 HydrophobicContact CG2-CB 4.05Å; I838-F922 HydrophobicContact CG2-CD2 3.57Å; I838-F922 HydrophobicContact CG2-CE2 4.38Å; I838-F922 HydrophobicContact CG2-CG 4.1Å; I838-V950 HydrophobicContact CD1-CG1 4.01Å; I838-V950 HydrophobicContact CG2-CG1 4.01Å; I838-V954 HydrophobicContact CD1-CG2 3.29Å |
| 839 | Q | 91 | Very high | 91.6 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.009 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66 | -33.6 | 174.3 | -60 | -170.8 | 36.7 | 0 | 0 | 111.5 | M308 Y836 L837 F842 A843 F854 | M308-Q839 VanDerWaalsContact CG-OE1 3.29Å; Y836-Q839 WeakPolarHBondContact O-CB 3.33Å; Y836-Q839 PolarHBondContact O-N 2.86Å; Y836-Q839 VanDerWaalsContact O-N 3.15Å; L837-Q839 VanDerWaalsContact C-N 3.25Å; L837-Q839 PolarHBondContact O-N 2.88Å; Q839-F842 PolarHBondContact O-N 3.42Å; Q839-A843 WeakPolarHBondContact O-CB 3.44Å; Q839-A843 PolarHBondContact O-N 3.06Å; Q839-F854 HydrophobicContact CG-CD2 4.45Å; Q839-F854 HydrophobicContact CG-CE2 4.41Å |
| 840 | F | 92.5 | Very high | 91.2 | Very high | 22 Ų | 22 | 18.4 Ų | 18.4 | 10% | 0.096 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.5 | -44.6 | 172.7 | 176.3 | -95.6 | 0 | 0 | 0 | 111.6 | L265 F268 T269 Y309 L837 I838 F842 A843 I844 | L265-F840 HydrophobicContact CD2-CD2 3.81Å; L265-F840 HydrophobicContact CD2-CE2 3.75Å; L265-F840 HydrophobicContact CD2-CG 4.33Å; L265-F840 HydrophobicContact CD2-CZ 4.2Å; F268-F840 AromaticContact CD1-CE2 3.71Å; F268-F840 HydrophobicContact CD1-CE2 3.71Å; F268-F840 AromaticContact CD1-CZ 3.98Å; F268-F840 HydrophobicContact CD1-CZ 3.98Å; F268-F840 HydrophobicContact CE1-CE2 4.01Å; F268-F840 AromaticContact CE1-CZ 3.88Å; F268-F840 HydrophobicContact CE1-CZ 3.88Å; T269-F840 HydrophobicContact CG2-CD2 4.08Å; T269-F840 HydrophobicContact CG2-CE2 4.11Å; Y309-F840 HydrophobicContact CE1-CB 3.73Å; Y309-F840 HydrophobicContact CE1-CD2 4.44Å; Y309-F840 AromaticContact CZ-CD2 3.91Å; Y309-F840 WeakPolarHBondContact OH-CA 3.47Å; Y309-F840 WeakPolarHBondContact OH-CD2 3.2Å; L837-F840 HydrophobicContact CD1-CB 3.97Å; L837-F840 HydrophobicContact CD1-CD1 4.21Å; L837-F840 HydrophobicContact CD1-CG 4.24Å; L837-F840 WeakPolarHBondContact O-CA 3.43Å; L837-F840 VanDerWaalsContact O-CB 3.32Å; L837-F840 WeakPolarHBondContact O-CB 3.37Å; L837-F840 PolarHBondContact O-N 2.73Å; L837-F840 VanDerWaalsContact O-N 3.08Å; I838-F840 VanDerWaalsContact C-N 3.27Å; I838-F840 PolarHBondContact O-N 3.42Å; F840-F842 VanDerWaalsContact C-N 3.28Å; F840-F842 PolarHBondContact O-N 3.44Å; F840-A843 WeakPolarHBondContact O-CB 3.49Å; F840-A843 PolarHBondContact O-N 3.21Å; F840-A843 VanDerWaalsContact O-N 3.15Å; F840-I844 HydrophobicContact CE1-CD1 4.09Å; F840-I844 PolarHBondContact O-N 3.06Å |
| 841 | W | 93.4 | Very high | 91 | Very high | 47 Ų | 47 | 23 Ų | 23 | 18% | 0.178 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.7 | -39.5 | 175.3 | -57.3 | 132.3 | 0 | 0 | 0 | 112.2 | L837 I838 I844 I915 S918 F922 | L837-W841 HydrophobicContact CD2-CZ2 3.96Å; L837-W841 HydrophobicContact CG-CZ2 4.28Å; L837-W841 VanDerWaalsContact O-CD1 3.24Å; L837-W841 PolarHBondContact O-N 3.17Å; I838-W841 PolarHBondContact O-N 2.97Å; W841-I844 HydrophobicContact CE3-CD1 3.91Å; W841-I844 HydrophobicContact CZ3-CD1 4.29Å; W841-I844 PolarHBondContact O-N 3.29Å; W841-I915 HydrophobicContact CZ2-CG2 4.34Å; W841-S918 PolarHBondContact NE1-OG 2.93Å; W841-F922 HydrophobicContact CB-CB 4.39Å; W841-F922 HydrophobicContact CB-CD1 3.31Å; W841-F922 HydrophobicContact CB-CE1 3.61Å; W841-F922 HydrophobicContact CB-CG 3.87Å; W841-F922 HydrophobicContact CB-CZ 4.39Å; W841-F922 HydrophobicContact CG-CD1 4.18Å |
| 842 | F | 92.8 | Very high | 90.7 | Very high | 20 Ų | 20 | 23.9 Ų | 23.9 | 9% | 0.088 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.5 | -34.9 | 174.3 | -179.1 | -108.4 | 0 | 0 | 0 | 113.4 | I838 Q839 F840 I844 L845 S846 Q851 V853 F922 L943 | I838-F842 PolarHBondContact O-N 3.43Å; Q839-F842 PolarHBondContact O-N 3.42Å; F840-F842 VanDerWaalsContact C-N 3.28Å; F840-F842 PolarHBondContact O-N 3.44Å; F842-I844 PolarHBondContact O-N 3.36Å; F842-L845 PolarHBondContact O-N 3.34Å; F842-S846 PolarHBondContact O-N 2.72Å; F842-S846 PolarHBondContact O-OG 3.45Å; F842-Q851 WeakPolarHBondContact CD1-O 3.4Å; F842-Q851 HydrophobicContact CE1-CB 3.97Å; F842-Q851 HydrophobicContact CE1-CG 3.78Å; F842-Q851 WeakPolarHBondContact CE1-O 3.06Å; F842-Q851 HydrophobicContact CZ-CG 4.24Å; F842-V853 HydrophobicContact CB-CG2 3.3Å; F842-V853 HydrophobicContact CD1-CG2 3.21Å; F842-V853 HydrophobicContact CD2-CG2 3.57Å; F842-V853 HydrophobicContact CE1-CG2 3.82Å; F842-V853 HydrophobicContact CE2-CG2 4.15Å; F842-V853 HydrophobicContact CG-CG2 3.05Å; F842-V853 HydrophobicContact CZ-CG2 4.25Å; F842-F922 HydrophobicContact CB-CE2 3.88Å; F842-F922 HydrophobicContact CB-CZ 3.84Å; F842-F922 HydrophobicContact CD2-CE2 4.22Å; F842-F922 HydrophobicContact CD2-CZ 4.11Å; F842-L943 HydrophobicContact CE2-CD1 3.51Å; F842-L943 HydrophobicContact CZ-CD1 3.61Å; F842-L943 HydrophobicContact CZ-CD2 3.87Å; F842-L943 HydrophobicContact CZ-CG 4.4Å |
| 843 | A | 91.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58 | -32.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M308 Q839 F840 L845 S846 G847 F848 | M308-A843 HydrophobicContact CE-CB 4.21Å; Q839-A843 WeakPolarHBondContact O-CB 3.44Å; Q839-A843 PolarHBondContact O-N 3.06Å; F840-A843 WeakPolarHBondContact O-CB 3.49Å; F840-A843 PolarHBondContact O-N 3.21Å; F840-A843 VanDerWaalsContact O-N 3.15Å; A843-L845 VanDerWaalsContact C-N 3.27Å; A843-L845 PolarHBondContact O-N 3.01Å; A843-S846 WeakPolarHBondContact CA-OG 3.26Å; A843-S846 PolarHBondContact O-N 3.02Å; A843-G847 PolarHBondContact O-N 3.02Å; A843-F848 HydrophobicContact CB-CD1 3.96Å; A843-F848 HydrophobicContact CB-CE1 4.44Å; A843-F848 WeakPolarHBondContact O-CA 3.32Å; A843-F848 PolarHBondContact O-N 3.44Å |
| 844 | I | 91.7 | Very high | 90.5 | Very high | 67 Ų | 67 | 24 Ų | 24 | 34% | 0.344 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -61.9 | -36.6 | 174.5 | -60.9 | 171.2 | 0 | 0 | 0 | 111.3 | F840 W841 F842 F848 | F840-I844 HydrophobicContact CE1-CD1 4.09Å; F840-I844 PolarHBondContact O-N 3.06Å; W841-I844 HydrophobicContact CE3-CD1 3.91Å; W841-I844 HydrophobicContact CZ3-CD1 4.29Å; W841-I844 PolarHBondContact O-N 3.29Å; F842-I844 PolarHBondContact O-N 3.36Å; I844-F848 HydrophobicContact CB-CZ 4.36Å; I844-F848 HydrophobicContact CG1-CE1 4.04Å; I844-F848 HydrophobicContact CG1-CZ 3.96Å |
| 845 | L | 90 | Very high | 90.1 | Very high | 85 Ų | 85 | 24.8 Ų | 24.8 | 45% | 0.445 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -83.7 | -31.2 | -179.4 | -58.2 | 178.6 | 0 | 0 | 0 | 112.9 | F842 A843 G847 F922 W923 L926 | F842-L845 PolarHBondContact O-N 3.34Å; A843-L845 VanDerWaalsContact C-N 3.27Å; A843-L845 PolarHBondContact O-N 3.01Å; L845-G847 VanDerWaalsContact C-N 3.28Å; L845-G847 PolarHBondContact O-N 3.44Å; L845-F922 HydrophobicContact CD1-CE1 3.91Å; L845-F922 HydrophobicContact CD1-CZ 3.72Å; L845-W923 HydrophobicContact CD2-CH2 4.11Å; L845-W923 HydrophobicContact CD2-CZ3 4.32Å; L845-L926 HydrophobicContact CD1-CD1 4.15Å; L845-L926 HydrophobicContact CD1-CD2 3.39Å; L845-L926 HydrophobicContact CD1-CG 4.42Å |
| 846 | S | 88.9 | Confident | 89.7 | Confident | 29 Ų | 29 | 31.2 Ų | 31.2 | 20% | 0.203 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 12.5 | -177 | 68.8 | 0 | 0 | 0 | 0 | 114 | F842 A843 F848 S849 | F842-S846 PolarHBondContact O-N 2.72Å; F842-S846 PolarHBondContact O-OG 3.45Å; A843-S846 WeakPolarHBondContact CA-OG 3.26Å; A843-S846 PolarHBondContact O-N 3.02Å; S846-F848 VanDerWaalsContact C-N 3.3Å; S846-F848 PolarHBondContact O-N 3.41Å; S846-S849 WeakPolarHBondContact O-CB 3.45Å; S846-S849 PolarHBondContact O-N 2.71Å; S846-S849 PolarHBondContact O-OG 3.17Å |
| 847 | G | 86.7 | Confident | 89.2 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 29 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N273 A843 L845 S849 | N273-G847 PolarHBondContact ND2-O 3.01Å; A843-G847 PolarHBondContact O-N 3.02Å; L845-G847 VanDerWaalsContact C-N 3.28Å; L845-G847 PolarHBondContact O-N 3.44Å; G847-S849 PolarHBondContact O-N 2.83Å; G847-S849 VanDerWaalsContact O-N 3.16Å |
| 848 | F | 89.6 | Confident | 88.9 | Confident | 22 Ų | 22 | 35.8 Ų | 35.8 | 10% | 0.096 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 28.9 | -178 | -55.5 | -84 | 0 | 0 | 0 | 114 | F268 T269 A272 N273 A843 I844 S846 G850 | F268-F848 HydrophobicContact CD1-CE1 4.45Å; F268-F848 HydrophobicContact CE1-CE1 4.02Å; F268-F848 HydrophobicContact CE1-CZ 4.15Å; T269-F848 HydrophobicContact CG2-CD1 3.68Å; T269-F848 HydrophobicContact CG2-CE1 4.14Å; A272-F848 HydrophobicContact CB-CD1 4.02Å; A272-F848 HydrophobicContact CB-CD2 3.49Å; A272-F848 VanDerWaalsContact CB-CD2 3.49Å; A272-F848 HydrophobicContact CB-CE1 3.97Å; A272-F848 HydrophobicContact CB-CE2 3.45Å; A272-F848 VanDerWaalsContact CB-CE2 3.45Å; A272-F848 HydrophobicContact CB-CG 3.79Å; A272-F848 HydrophobicContact CB-CZ 3.68Å; N273-F848 HydrophobicContact CB-CB 3.75Å; N273-F848 PolarHBondContact ND2-O 3.47Å; A843-F848 HydrophobicContact CB-CD1 3.96Å; A843-F848 HydrophobicContact CB-CE1 4.44Å; A843-F848 WeakPolarHBondContact O-CA 3.32Å; A843-F848 PolarHBondContact O-N 3.44Å; I844-F848 HydrophobicContact CB-CZ 4.36Å; I844-F848 HydrophobicContact CG1-CE1 4.04Å; I844-F848 HydrophobicContact CG1-CZ 3.96Å; S846-F848 VanDerWaalsContact C-N 3.3Å; S846-F848 PolarHBondContact O-N 3.41Å; F848-G850 PolarHBondContact O-N 3.45Å |
| 849 | S | 86.4 | Confident | 88.4 | Confident | 52 Ų | 52 | 36.1 Ų | 36.1 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | trans | -69.5 | -10.2 | -175.5 | 50.4 | 0 | 0 | 0 | 0 | 115.4 | S846 G847 Q851 | S846-S849 WeakPolarHBondContact O-CB 3.45Å; S846-S849 PolarHBondContact O-N 2.71Å; S846-S849 PolarHBondContact O-OG 3.17Å; G847-S849 PolarHBondContact O-N 2.83Å; G847-S849 VanDerWaalsContact O-N 3.16Å; S849-Q851 VanDerWaalsContact C-N 3.34Å | ||
| 850 | G | 85 | Confident | 87.9 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 8% | 0.082 | 19% | 0.186 | C | C | . | . | trans | 82.7 | 8.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F848 I852 | F848-G850 PolarHBondContact O-N 3.45Å; G850-I852 PolarHBondContact O-N 2.93Å | ||
| 851 | Q | 88.6 | Confident | 87.6 | Confident | 97 Ų | 97 | 38 Ų | 38 | 45% | 0.453 | 19% | 0.19 | S | C | . | . | trans | -64.1 | 128.5 | 176.3 | -178.6 | 62.7 | 29.1 | 0 | 0 | 111.3 | F842 S849 L943 | F842-Q851 WeakPolarHBondContact CD1-O 3.4Å; F842-Q851 HydrophobicContact CE1-CB 3.97Å; F842-Q851 HydrophobicContact CE1-CG 3.78Å; F842-Q851 WeakPolarHBondContact CE1-O 3.06Å; F842-Q851 HydrophobicContact CZ-CG 4.24Å; S849-Q851 VanDerWaalsContact C-N 3.34Å; Q851-L943 HydrophobicContact CG-CD2 4.37Å | ||
| 852 | I | 89.4 | Confident | 87.3 | Confident | 20 Ų | 20 | 35.8 Ų | 35.8 | 10% | 0.103 | 18% | 0.182 | C | C | . | . | trans | -84.8 | 141.4 | 175.5 | 57.2 | 175.5 | 0 | 0 | 0 | 111.5 | P52 G850 F854 R856 I859 | P52-I852 HydrophobicContact CB-CG2 4.01Å; P52-I852 WeakPolarHBondContact O-CD1 3.48Å; G850-I852 PolarHBondContact O-N 2.93Å; I852-F854 WeakPolarHBondContact CD1-O 3.4Å; I852-R856 HydrophobicContact CD1-CG 3.88Å; I852-I859 HydrophobicContact CD1-CD1 4.41Å | ||
| 853 | V | 90.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -80.7 | -37.8 | 174.5 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | F842 | F842-V853 HydrophobicContact CB-CG2 3.3Å; F842-V853 HydrophobicContact CD1-CG2 3.21Å; F842-V853 HydrophobicContact CD2-CG2 3.57Å; F842-V853 HydrophobicContact CE1-CG2 3.82Å; F842-V853 HydrophobicContact CE2-CG2 4.15Å; F842-V853 HydrophobicContact CG-CG2 3.05Å; F842-V853 HydrophobicContact CZ-CG2 4.25Å |
| 854 | F | 89.4 | Confident | 86.4 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.022 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -98.5 | 149.1 | -174.6 | -51.7 | -56.9 | 0 | 0 | 0 | 110 | L835 I838 Q839 I852 I859 G947 V950 Y951 | L835-F854 HydrophobicContact CD1-CD2 4.14Å; L835-F854 HydrophobicContact CD1-CE2 3.48Å; L835-F854 VanDerWaalsContact CD1-CE2 3.48Å; L835-F854 HydrophobicContact CD1-CZ 3.69Å; L835-F854 HydrophobicContact CG-CE2 4.06Å; I838-F854 HydrophobicContact CB-CZ 4.37Å; I838-F854 HydrophobicContact CG2-CE2 4.35Å; I838-F854 HydrophobicContact CG2-CZ 3.92Å; Q839-F854 HydrophobicContact CG-CD2 4.45Å; Q839-F854 HydrophobicContact CG-CE2 4.41Å; I852-F854 WeakPolarHBondContact CD1-O 3.4Å; F854-I859 HydrophobicContact CB-CD1 4.05Å; F854-I859 HydrophobicContact CB-CG1 3.67Å; F854-I859 HydrophobicContact CD2-CG1 4.4Å; F854-G947 WeakPolarHBondContact CD1-O 3.49Å; F854-G947 WeakPolarHBondContact CE1-O 3.22Å; F854-V950 HydrophobicContact CE1-CB 4.35Å; F854-V950 HydrophobicContact CE1-CG1 4.1Å; F854-V950 HydrophobicContact CZ-CG1 4.11Å; F854-Y951 HydrophobicContact CB-CD2 4.42Å; F854-Y951 AromaticContact CD1-CD2 3.65Å; F854-Y951 HydrophobicContact CD1-CD2 3.65Å; F854-Y951 HydrophobicContact CD1-CG 4.21Å; F854-Y951 HydrophobicContact CD2-CD2 4.43Å; F854-Y951 AromaticContact CE1-CD2 3.94Å; F854-Y951 HydrophobicContact CE1-CD2 3.94Å; F854-Y951 HydrophobicContact CE1-CG 4.34Å; F854-Y951 AromaticContact CG-CD2 3.91Å; F854-Y951 HydrophobicContact CG-CD2 3.91Å; F854-Y951 HydrophobicContact CZ-CD2 4.44Å |
| 855 | E | 86.4 | Confident | 86.1 | Confident | 17 Ų | 17 | 39.8 Ų | 39.8 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | trans | -66 | 148.9 | 175.2 | -174 | -79 | 146.4 | 0 | 0 | 111.3 | W857 S858 I859 Y991 M1004 | E855-W857 VanDerWaalsContact CD-N 3.3Å; E855-W857 PolarHBondContact O-N 3.05Å; E855-W857 PolarHBondContact OE1-N 3.42Å; E855-W857 VanDerWaalsContact OE1-N 3.1Å; E855-W857 WeakPolarHBondContact OE2-CA 3.36Å; E855-W857 WeakPolarHBondContact OE2-CB 3.45Å; E855-W857 PolarHBondContact OE2-N 3.18Å; E855-S858 WeakPolarHBondContact O-CB 3.17Å; E855-S858 PolarHBondContact O-N 3.27Å; E855-S858 VanDerWaalsContact O-N 3.16Å; E855-S858 PolarHBondContact OE2-N 2.94Å; E855-S858 PolarHBondContact OE2-OG 3.38Å; E855-S858 VanDerWaalsContact OE2-OG 3.09Å; E855-I859 PolarHBondContact O-N 3.41Å; E855-I859 VanDerWaalsContact O-N 3.11Å; E855-Y991 PolarHBondContact OE1-OH 2.85Å; E855-M1004 HydrophobicContact CB-CE 3.75Å; E855-M1004 HydrophobicContact CB-CG 4.42Å; E855-M1004 HydrophobicContact CB-SD 3.95Å; E855-M1004 HydrophobicContact CG-CE 3.92Å; E855-M1004 HydrophobicContact CG-CG 3.86Å; E855-M1004 HydrophobicContact CG-SD 4.06Å | ||
| 856 | R | 82.9 | Confident | 86.1 | Confident | 134 Ų | 134 | 35.8 Ų | 35.8 | 51% | 0.506 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -54.4 | -48.2 | -169.3 | -67.1 | 178.4 | -179.1 | 159.5 | 4.4 | 113.5 | T53 I852 | T53-R856 WeakPolarHBondContact O-CB 3.17Å; T53-R856 WeakPolarHBondContact O-CG 3.25Å; I852-R856 HydrophobicContact CD1-CG 3.88Å |
| 857 | W | 81.2 | Confident | 86.2 | Confident | 116 Ų | 116 | 34.4 Ų | 34.4 | 44% | 0.439 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -74.3 | -36 | 178.9 | -72.7 | 102 | 0 | 0 | 0 | 112.3 | E855 I859 G860 L861 Y991 L1000 | E855-W857 VanDerWaalsContact CD-N 3.3Å; E855-W857 PolarHBondContact O-N 3.05Å; E855-W857 PolarHBondContact OE1-N 3.42Å; E855-W857 VanDerWaalsContact OE1-N 3.1Å; E855-W857 WeakPolarHBondContact OE2-CA 3.36Å; E855-W857 WeakPolarHBondContact OE2-CB 3.45Å; E855-W857 PolarHBondContact OE2-N 3.18Å; W857-I859 PolarHBondContact O-N 3.35Å; W857-G860 PolarHBondContact O-N 3.28Å; W857-L861 WeakPolarHBondContact O-CB 3.28Å; W857-L861 WeakPolarHBondContact O-CG 3.24Å; W857-L861 PolarHBondContact O-N 3.31Å; W857-Y991 VanDerWaalsContact CB-OH 3.3Å; W857-Y991 WeakPolarHBondContact CB-OH 3.48Å; W857-L1000 HydrophobicContact CZ2-CD1 4.35Å |
| 858 | S | 84.7 | Confident | 86.3 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.4 | -36 | 176.3 | -56.8 | 0 | 0 | 0 | 0 | 112 | E855 Y862 Y951 | E855-S858 WeakPolarHBondContact O-CB 3.17Å; E855-S858 PolarHBondContact O-N 3.27Å; E855-S858 VanDerWaalsContact O-N 3.16Å; E855-S858 PolarHBondContact OE2-N 2.94Å; E855-S858 PolarHBondContact OE2-OG 3.38Å; E855-S858 VanDerWaalsContact OE2-OG 3.09Å; S858-Y862 PolarHBondContact O-N 3.4Å; S858-Y862 VanDerWaalsContact O-N 3.16Å; S858-Y951 PolarHBondContact O-OH 2.87Å |
| 859 | I | 84 | Confident | 86.4 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 173 | -68.7 | 170.2 | 0 | 0 | 0 | 112 | T53 Y836 I852 F854 E855 W857 | T53-I859 HydrophobicContact CG2-CD1 4.38Å; Y836-I859 HydrophobicContact CE1-CG2 3.79Å; Y836-I859 PolarHBondContact OH-O 2.92Å; I852-I859 HydrophobicContact CD1-CD1 4.41Å; F854-I859 HydrophobicContact CB-CD1 4.05Å; F854-I859 HydrophobicContact CB-CG1 3.67Å; F854-I859 HydrophobicContact CD2-CG1 4.4Å; E855-I859 PolarHBondContact O-N 3.41Å; E855-I859 VanDerWaalsContact O-N 3.11Å; W857-I859 PolarHBondContact O-N 3.35Å |
| 860 | G | 80 | Confident | 86.6 | Confident | 28 Ų | 28 | 33 Ų | 33 | 29% | 0.289 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.8 | -41.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | W857 Y862 | W857-G860 PolarHBondContact O-N 3.28Å; G860-Y862 VanDerWaalsContact C-N 3.33Å; G860-Y862 PolarHBondContact O-N 3.3Å |
| 861 | L | 85.6 | Confident | 87 | Confident | 36 Ų | 36 | 32.6 Ų | 32.6 | 19% | 0.188 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.6 | -21.2 | -177.5 | -64.6 | -179 | 0 | 0 | 0 | 113.5 | W857 N863 V864 I865 F866 F987 | W857-L861 WeakPolarHBondContact O-CB 3.28Å; W857-L861 WeakPolarHBondContact O-CG 3.24Å; W857-L861 PolarHBondContact O-N 3.31Å; L861-N863 VanDerWaalsContact C-N 3.25Å; L861-N863 PolarHBondContact O-N 2.85Å; L861-V864 PolarHBondContact O-N 2.91Å; L861-I865 HydrophobicContact CD2-CD1 3.75Å; L861-I865 HydrophobicContact CD2-CG1 4.18Å; L861-I865 PolarHBondContact O-N 3.32Å; L861-F866 HydrophobicContact CB-CD2 4.28Å; L861-F866 HydrophobicContact CB-CE2 3.63Å; L861-F866 HydrophobicContact CB-CZ 4.07Å; L861-F866 HydrophobicContact CD1-CZ 4.4Å; L861-F866 PolarHBondContact O-N 2.89Å; L861-F987 HydrophobicContact CD1-CD2 4.31Å; L861-F987 HydrophobicContact CD1-CE2 3.47Å; L861-F987 VanDerWaalsContact CD1-CE2 3.47Å; L861-F987 HydrophobicContact CD1-CZ 3.6Å |
| 862 | Y | 88.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -49.1 | -48.4 | 175.1 | -179.8 | -110.6 | 0 | 0 | 0 | 112.5 | K831 L835 S858 G860 T867 Y951 V954 V955 | K831-Y862 PolarHBondContact O-OH 3.3Å; L835-Y862 HydrophobicContact CB-CD1 4.49Å; L835-Y862 HydrophobicContact CB-CE1 3.95Å; L835-Y862 HydrophobicContact CD2-CD1 3.4Å; L835-Y862 VanDerWaalsContact CD2-CD1 3.4Å; L835-Y862 HydrophobicContact CD2-CD2 3.81Å; L835-Y862 HydrophobicContact CD2-CE1 3.73Å; L835-Y862 HydrophobicContact CD2-CE2 4.12Å; L835-Y862 HydrophobicContact CD2-CG 3.43Å; L835-Y862 VanDerWaalsContact CD2-CG 3.43Å; L835-Y862 HydrophobicContact CG-CE1 4.44Å; S858-Y862 PolarHBondContact O-N 3.4Å; S858-Y862 VanDerWaalsContact O-N 3.16Å; G860-Y862 VanDerWaalsContact C-N 3.33Å; G860-Y862 PolarHBondContact O-N 3.3Å; Y862-T867 HydrophobicContact CD2-CG2 3.84Å; Y862-T867 HydrophobicContact CE1-CG2 4.39Å; Y862-T867 HydrophobicContact CE2-CG2 3.37Å; Y862-T867 WeakPolarHBondContact O-CB 3.31Å; Y862-T867 PolarHBondContact O-N 3.05Å; Y862-T867 PolarHBondContact O-OG1 2.91Å; Y862-Y951 VanDerWaalsContact CA-OH 3.26Å; Y862-Y951 WeakPolarHBondContact CA-OH 3.38Å; Y862-Y951 WeakPolarHBondContact CB-OH 3.36Å; Y862-Y951 HydrophobicContact CD2-CE2 4.23Å; Y862-Y951 AromaticContact CD2-CZ 3.88Å; Y862-Y951 PolarHBondContact N-OH 2.92Å; Y862-V954 HydrophobicContact CE2-CG1 4.29Å; Y862-V955 HydrophobicContact CD2-CG2 4.27Å; Y862-V955 HydrophobicContact CE2-CG2 4.2Å |
| 863 | N | 83.9 | Confident | 87.3 | Confident | 13 Ų | 13 | 30.9 Ų | 30.9 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -85.1 | -17.9 | -173.5 | -87.4 | -34.5 | 0 | 0 | 0 | 114.1 | K831 N832 Y836 L861 | K831-N863 PolarHBondContact NZ-OD1 2.85Å; N832-N863 PolarHBondContact ND2-OD1 2.76Å; N832-N863 VanDerWaalsContact OD1-CG 3.27Å; N832-N863 PolarHBondContact OD1-ND2 2.88Å; N832-N863 PolarHBondContact OD1-OD1 3.2Å; Y836-N863 PolarHBondContact OH-ND2 2.96Å; L861-N863 VanDerWaalsContact C-N 3.25Å; L861-N863 PolarHBondContact O-N 2.85Å |
| 864 | V | 81.7 | Confident | 87.4 | Confident | 85 Ų | 85 | 30.9 Ų | 30.9 | 52% | 0.515 | 16% | 0.16 | S | C | . | . | I | π-helix | trans | -102.3 | -42.2 | -173.2 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | L861 A868 | L861-V864 PolarHBondContact O-N 2.91Å; V864-A868 WeakPolarHBondContact O-CB 3.49Å |
| 865 | I | 85.5 | Confident | 87.5 | Confident | 74 Ų | 74 | 30.7 Ų | 30.7 | 38% | 0.379 | 16% | 0.159 | S | C | . | . | I | π-helix | trans | -110.5 | -62.2 | -174.6 | -58.9 | -173.8 | 0 | 0 | 0 | 110.2 | L861 T867 C983 | L861-I865 HydrophobicContact CD2-CD1 3.75Å; L861-I865 HydrophobicContact CD2-CG1 4.18Å; L861-I865 PolarHBondContact O-N 3.32Å; I865-T867 PolarHBondContact O-N 3.16Å; I865-C983 WeakPolarHBondContact CG2-SG 3.49Å |
| 866 | F | 89.8 | Confident | 87.7 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -73 | -30.3 | -164.1 | -49.7 | -49.2 | 0 | 0 | 0 | 113.7 | L861 Y951 S980 W984 F987 | L861-F866 HydrophobicContact CB-CD2 4.28Å; L861-F866 HydrophobicContact CB-CE2 3.63Å; L861-F866 HydrophobicContact CB-CZ 4.07Å; L861-F866 HydrophobicContact CD1-CZ 4.4Å; L861-F866 PolarHBondContact O-N 2.89Å; F866-Y951 HydrophobicContact CD2-CE1 4.1Å; F866-Y951 VanDerWaalsContact CD2-OH 3.23Å; F866-Y951 WeakPolarHBondContact CD2-OH 3.17Å; F866-Y951 HydrophobicContact CE2-CE1 4.45Å; F866-S980 WeakPolarHBondContact O-CB 2.84Å; F866-S980 PolarHBondContact O-OG 3.47Å; F866-W984 HydrophobicContact CD1-CB 4.17Å; F866-W984 HydrophobicContact CD1-CE3 4.28Å; F866-W984 AromaticContact CD2-CE3 3.82Å; F866-W984 HydrophobicContact CD2-CE3 3.82Å; F866-W984 HydrophobicContact CD2-CZ3 4.28Å; F866-W984 HydrophobicContact CE1-CE3 4.05Å; F866-W984 AromaticContact CE2-CE3 3.55Å; F866-W984 HydrophobicContact CE2-CE3 3.55Å; F866-W984 AromaticContact CE2-CZ3 3.72Å; F866-W984 HydrophobicContact CE2-CZ3 3.72Å; F866-W984 HydrophobicContact CG-CB 4.5Å; F866-W984 HydrophobicContact CG-CE3 4.2Å; F866-W984 AromaticContact CZ-CE3 3.69Å; F866-W984 HydrophobicContact CZ-CE3 3.69Å; F866-W984 HydrophobicContact CZ-CZ3 4.05Å; F866-F987 HydrophobicContact CE1-CB 3.72Å; F866-F987 HydrophobicContact CE1-CD1 4.34Å; F866-F987 HydrophobicContact CE1-CD2 4.44Å; F866-F987 AromaticContact CE1-CG 3.93Å; F866-F987 HydrophobicContact CE1-CG 3.93Å; F866-F987 HydrophobicContact CE2-CD1 4.3Å; F866-F987 HydrophobicContact CZ-CB 3.8Å; F866-F987 AromaticContact CZ-CD1 3.55Å; F866-F987 HydrophobicContact CZ-CD1 3.55Å; F866-F987 AromaticContact CZ-CD2 3.94Å; F866-F987 HydrophobicContact CZ-CD2 3.94Å; F866-F987 HydrophobicContact CZ-CE1 4.07Å; F866-F987 HydrophobicContact CZ-CE2 4.42Å; F866-F987 AromaticContact CZ-CG 3.48Å; F866-F987 HydrophobicContact CZ-CG 3.48Å; F866-F987 VanDerWaalsContact CZ-CG 3.48Å; F866-F987 HydrophobicContact CZ-CZ 4.47Å |
| 867 | T | 91 | Very high | 88.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | 16.7 | -178.6 | 69.8 | 0 | 0 | 0 | 0 | 114.5 | K831 Y862 I865 P871 V958 | K831-T867 PolarHBondContact NZ-OG1 3.14Å; Y862-T867 HydrophobicContact CD2-CG2 3.84Å; Y862-T867 HydrophobicContact CE1-CG2 4.39Å; Y862-T867 HydrophobicContact CE2-CG2 3.37Å; Y862-T867 WeakPolarHBondContact O-CB 3.31Å; Y862-T867 PolarHBondContact O-N 3.05Å; Y862-T867 PolarHBondContact O-OG1 2.91Å; I865-T867 PolarHBondContact O-N 3.16Å; T867-P871 WeakPolarHBondContact O-CD 3.17Å; T867-P871 VanDerWaalsContact O-CG 3.32Å; T867-P871 WeakPolarHBondContact O-CG 3.32Å; T867-V958 HydrophobicContact CG2-CG1 4.27Å |
| 868 | A | 87.9 | Confident | 88.5 | Confident | 21 Ų | 21 | 21.6 Ų | 21.6 | 17% | 0.174 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -35.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | V864 P871 | V864-A868 WeakPolarHBondContact O-CB 3.49Å; A868-P871 WeakPolarHBondContact O-CD 3.33Å |
| 869 | A | 91.9 | Very high | 88.5 | Confident | 29 Ų | 29 | 28.5 Ų | 28.5 | 24% | 0.24 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.6 | -42.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M872 A873 A976 | A869-M872 PolarHBondContact O-N 3.04Å; A869-A873 PolarHBondContact O-N 3.12Å; A869-A976 HydrophobicContact CB-CB 3.98Å |
| 870 | P | 92 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | -177.8 | -21.9 | 32.4 | 0 | 0 | 0 | 114.8 | Y827 M872 A873 L874 A962 S980 | Y827-P870 HydrophobicContact CE1-CB 4.31Å; P870-M872 VanDerWaalsContact C-N 3.27Å; P870-M872 PolarHBondContact O-N 3.36Å; P870-A873 PolarHBondContact O-N 2.95Å; P870-L874 WeakPolarHBondContact O-CB 3.42Å; P870-L874 PolarHBondContact O-N 2.68Å; P870-A962 HydrophobicContact CB-CB 3.72Å; P870-S980 WeakPolarHBondContact CD-OG 3.37Å |
| 871 | P | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.4 | -39.7 | 173.3 | -11.9 | 18.5 | 0 | 0 | 0 | 112.5 | L824 Y827 K831 T867 A868 L874 G875 | L824-P871 WeakPolarHBondContact CD1-O 3.2Å; L824-P871 HydrophobicContact CG-CB 4.07Å; Y827-P871 HydrophobicContact CD1-CB 4.02Å; Y827-P871 HydrophobicContact CD1-CG 3.79Å; Y827-P871 HydrophobicContact CE1-CB 4.3Å; Y827-P871 HydrophobicContact CE1-CG 3.63Å; K831-P871 HydrophobicContact CD-CG 4.22Å; T867-P871 WeakPolarHBondContact O-CD 3.17Å; T867-P871 VanDerWaalsContact O-CG 3.32Å; T867-P871 WeakPolarHBondContact O-CG 3.32Å; A868-P871 WeakPolarHBondContact O-CD 3.33Å; P871-L874 PolarHBondContact O-N 2.89Å; P871-G875 PolarHBondContact O-N 3.46Å |
| 872 | M | 91.6 | Very high | 88.5 | Confident | 77 Ų | 77 | 27.6 Ų | 27.6 | 38% | 0.379 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -66.6 | -44.1 | 179.4 | -174.5 | 170.8 | 64.4 | 0 | 0 | 111.7 | V323 V324 A869 P870 L874 G875 L876 | V323-M872 HydrophobicContact CG1-SD 4.31Å; V324-M872 HydrophobicContact CG2-CG 4.14Å; A869-M872 PolarHBondContact O-N 3.04Å; P870-M872 VanDerWaalsContact C-N 3.27Å; P870-M872 PolarHBondContact O-N 3.36Å; M872-L874 VanDerWaalsContact C-N 3.31Å; M872-L874 PolarHBondContact O-N 3.41Å; M872-G875 PolarHBondContact O-N 3.05Å; M872-L876 HydrophobicContact CG-CD1 3.83Å; M872-L876 WeakPolarHBondContact O-CB 3.45Å; M872-L876 WeakPolarHBondContact O-CG 3.29Å; M872-L876 PolarHBondContact O-N 3.18Å |
| 873 | A | 92.7 | Very high | 88.6 | Confident | 4 Ų | 4 | 29.5 Ų | 29.5 | 3% | 0.033 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | A869 P870 G875 L876 F877 A976 | A869-A873 PolarHBondContact O-N 3.12Å; P870-A873 PolarHBondContact O-N 2.95Å; A873-G875 VanDerWaalsContact C-N 3.34Å; A873-L876 PolarHBondContact O-N 3.37Å; A873-F877 HydrophobicContact CB-CD2 4.29Å; A873-F877 PolarHBondContact O-N 3.22Å; A873-A976 HydrophobicContact CB-CB 3.54Å |
| 874 | L | 92.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 175 | -169.1 | 151.2 | 0 | 0 | 0 | 111.6 | K823 L824 P870 P871 M872 L876 D878 E965 | K823-L874 HydrophobicContact CB-CD1 4.41Å; K823-L874 HydrophobicContact CB-CD2 3.24Å; K823-L874 HydrophobicContact CB-CG 4.36Å; K823-L874 HydrophobicContact CD-CD2 4.12Å; K823-L874 HydrophobicContact CG-CD2 4.36Å; L824-L874 HydrophobicContact CB-CD2 4.33Å; P870-L874 WeakPolarHBondContact O-CB 3.42Å; P870-L874 PolarHBondContact O-N 2.68Å; P871-L874 PolarHBondContact O-N 2.89Å; M872-L874 VanDerWaalsContact C-N 3.31Å; M872-L874 PolarHBondContact O-N 3.41Å; L874-L876 VanDerWaalsContact C-N 3.34Å; L874-L876 PolarHBondContact O-N 3.34Å; L874-D878 VanDerWaalsContact O-CB 3.3Å; L874-D878 WeakPolarHBondContact O-CB 3.49Å; L874-E965 HydrophobicContact CD1-CB 4.25Å |
| 875 | G | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.5 | -23.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V324 Q328 R820 P871 M872 A873 | V324-G875 WeakPolarHBondContact CG1-O 3.48Å; Q328-G875 PolarHBondContact NE2-O 3.28Å; R820-G875 WeakPolarHBondContact CB-O 3.09Å; R820-G875 WeakPolarHBondContact CD-O 3.45Å; P871-G875 PolarHBondContact O-N 3.46Å; M872-G875 PolarHBondContact O-N 3.05Å; A873-G875 VanDerWaalsContact C-N 3.34Å |
| 876 | L | 91.9 | Very high | 89.4 | Confident | 11 Ų | 11 | 28.2 Ų | 28.2 | 6% | 0.058 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -109.1 | -46.1 | -173.3 | -65.9 | 176.4 | 0 | 0 | 0 | 113.8 | V324 V327 Q328 M872 A873 L874 | V324-L876 HydrophobicContact CB-CD2 4.36Å; V324-L876 HydrophobicContact CG1-CD2 4.01Å; V324-L876 HydrophobicContact CG1-CG 4.49Å; V324-L876 HydrophobicContact CG2-CD2 4.35Å; V324-L876 HydrophobicContact CG2-CG 4.22Å; V327-L876 HydrophobicContact CB-CD1 4.39Å; V327-L876 HydrophobicContact CB-CD2 3.68Å; V327-L876 HydrophobicContact CG1-CD1 4.05Å; V327-L876 HydrophobicContact CG1-CD2 3.61Å; V327-L876 HydrophobicContact CG1-CG 4.45Å; Q328-L876 HydrophobicContact CG-CD2 4.17Å; M872-L876 HydrophobicContact CG-CD1 3.83Å; M872-L876 WeakPolarHBondContact O-CB 3.45Å; M872-L876 WeakPolarHBondContact O-CG 3.29Å; M872-L876 PolarHBondContact O-N 3.18Å; A873-L876 PolarHBondContact O-N 3.37Å; L874-L876 VanDerWaalsContact C-N 3.34Å; L874-L876 PolarHBondContact O-N 3.34Å |
| 877 | F | 89.8 | Confident | 89.5 | Confident | 61 Ų | 61 | 30.5 Ų | 30.5 | 27% | 0.268 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -108.8 | -4.8 | -164.1 | -53.1 | -58.6 | 0 | 0 | 0 | 114 | A873 T970 L972 | A873-F877 HydrophobicContact CB-CD2 4.29Å; A873-F877 PolarHBondContact O-N 3.22Å; F877-T970 HydrophobicContact CB-CG2 4.38Å; F877-L972 HydrophobicContact CD1-CD1 3.98Å; F877-L972 HydrophobicContact CD2-CB 3.76Å; F877-L972 HydrophobicContact CD2-CD1 4.1Å; F877-L972 HydrophobicContact CE1-CD1 3.6Å; F877-L972 HydrophobicContact CE2-CB 3.88Å; F877-L972 HydrophobicContact CE2-CD1 3.73Å; F877-L972 HydrophobicContact CE2-CG 4.29Å; F877-L972 HydrophobicContact CG-CB 4.3Å; F877-L972 HydrophobicContact CG-CD1 4.23Å; F877-L972 HydrophobicContact CZ-CD1 3.49Å; F877-L972 VanDerWaalsContact CZ-CD1 3.49Å; F877-L972 HydrophobicContact CZ-CG 4.47Å |
| 878 | D | 89.9 | Confident | 89.3 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.027 | 18% | 0.184 | C | C | . | . | trans | -70 | 143 | 178.2 | -163.5 | 24.7 | 0 | 0 | 0 | 111.3 | R820 K823 L874 T967 A968 | R820-D878 HydrophobicContact CG-CB 4.32Å; R820-D878 VanDerWaalsContact CZ-O 3.27Å; R820-D878 PolarHBondContact NE-O 3.46Å; R820-D878 PolarHBondContact NH2-O 3.37Å; K823-D878 IonicContact NZ-OD2 3.86Å; K823-D878 PolarHBondContact NZ-OD2 3.31Å; L874-D878 VanDerWaalsContact O-CB 3.3Å; L874-D878 WeakPolarHBondContact O-CB 3.49Å; D878-T967 WeakPolarHBondContact OD1-CA 3.44Å; D878-T967 WeakPolarHBondContact OD1-CB 3.37Å; D878-T967 PolarHBondContact OD1-N 2.98Å; D878-T967 PolarHBondContact OD1-OG1 2.76Å; D878-T967 PolarHBondContact OD2-OG1 3.26Å; D878-T967 VanDerWaalsContact OD2-OG1 3.05Å; D878-A968 PolarHBondContact OD1-N 3.46Å; D878-A968 VanDerWaalsContact OD1-N 3.1Å | ||
| 879 | R | 84.8 | Confident | 89.4 | Confident | 146 Ų | 146 | 35.8 Ų | 35.8 | 55% | 0.551 | 18% | 0.179 | S | C | * | . | trans | -135.5 | 121.8 | 178.5 | -61.8 | 179.8 | -174.4 | -179.9 | -1.1 | 108.5 | T967 A968 | R879-T967 WeakPolarHBondContact O-CB 3.36Å; R879-T967 PolarHBondContact O-OG1 3.04Å; R879-T967 VanDerWaalsContact O-OG1 3.09Å; R879-A968 HydrophobicContact CB-CB 3.98Å | ||
| 880 | S | 80.8 | Confident | 89.4 | Confident | 14 Ų | 14 | 34.6 Ų | 34.6 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -94 | -26 | -176.9 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | R1047 | S880-R1047 PolarHBondContact OG-NE 2.67Å; S880-R1047 PolarHBondContact OG-NH2 3.2Å |
| 881 | C | 82.2 | Confident | 89.2 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.034 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -147.4 | 158.5 | 168.1 | -63.7 | 0 | 0 | 0 | 0 | 109 | W816 R1047 | W816-C881 WeakPolarHBondContact CZ2-O 3.49Å; W816-C881 PolarHBondContact NE1-O 3.14Å; W816-C881 VanDerWaalsContact NE1-O 3.13Å; C881-R1047 WeakPolarHBondContact SG-CG 3.3Å |
| 882 | S | 87.7 | Confident | 89 | Confident | 33 Ų | 33 | 35.6 Ų | 35.6 | 23% | 0.231 | 17% | 0.174 | C | C | . | . | trans | -67.8 | 158.2 | 169.5 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | N884 N885 C886 E1054 | S882-N884 VanDerWaalsContact C-N 3.3Å; S882-N884 PolarHBondContact O-N 2.92Å; S882-N885 PolarHBondContact O-N 2.72Å; S882-N885 PolarHBondContact OG-ND2 2.62Å; S882-C886 PolarHBondContact O-N 3.08Å; S882-E1054 WeakPolarHBondContact CB-OE1 3.33Å; S882-E1054 PolarHBondContact N-OE2 3.26Å; S882-E1054 VanDerWaalsContact OG-CD 3.25Å; S882-E1054 PolarHBondContact OG-OE1 3.36Å; S882-E1054 PolarHBondContact OG-OE2 3.43Å | ||
| 883 | V | 90.4 | Very high | 89 | Confident | 39 Ų | 39 | 32 Ų | 32 | 24% | 0.236 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.3 | -46.1 | 175.7 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | V812 W816 N885 C886 L887 | V812-V883 HydrophobicContact CG1-CB 4.49Å; V812-V883 HydrophobicContact CG1-CG1 4.24Å; V812-V883 HydrophobicContact CG1-CG2 4.08Å; V812-V883 HydrophobicContact CG2-CG1 4.07Å; W816-V883 HydrophobicContact CH2-CG2 3.37Å; W816-V883 HydrophobicContact CZ2-CG2 3.73Å; W816-V883 HydrophobicContact CZ3-CG2 4.33Å; V883-N885 PolarHBondContact O-N 2.7Å; V883-C886 PolarHBondContact O-N 2.71Å; V883-L887 HydrophobicContact CG1-CD1 4.06Å; V883-L887 WeakPolarHBondContact O-CG 3.44Å; V883-L887 PolarHBondContact O-N 3.48Å |
| 884 | N | 89.9 | Confident | 88.7 | Confident | 122 Ų | 122 | 36.3 Ų | 36.3 | 65% | 0.652 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -62.7 | -43 | -177.9 | -66.5 | -16.4 | 0 | 0 | 0 | 112 | S882 L887 K888 | S882-N884 VanDerWaalsContact C-N 3.3Å; S882-N884 PolarHBondContact O-N 2.92Å; N884-L887 PolarHBondContact O-N 3.43Å; N884-K888 WeakPolarHBondContact O-CB 3.31Å; N884-K888 PolarHBondContact O-N 2.87Å |
| 885 | N | 89 | Confident | 88.3 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.5 | -38 | 178 | -76.3 | -17.3 | 0 | 0 | 0 | 112 | S882 V883 L887 Y889 V1050 E1054 | S882-N885 PolarHBondContact O-N 2.72Å; S882-N885 PolarHBondContact OG-ND2 2.62Å; V883-N885 PolarHBondContact O-N 2.7Å; N885-L887 VanDerWaalsContact C-N 3.34Å; N885-L887 PolarHBondContact O-N 3.47Å; N885-Y889 WeakPolarHBondContact O-CB 3.24Å; N885-Y889 PolarHBondContact O-N 3.2Å; N885-V1050 HydrophobicContact CB-CG1 4.48Å; N885-E1054 PolarHBondContact ND2-OE2 3.02Å |
| 886 | C | 88.9 | Confident | 88.1 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.027 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -40.4 | 173.6 | -78.1 | 0 | 0 | 0 | 0 | 112.7 | V812 S882 V883 Y889 | V812-C886 HydrophobicContact CG2-CB 3.95Å; S882-C886 PolarHBondContact O-N 3.08Å; V883-C886 PolarHBondContact O-N 2.71Å; C886-Y889 CarbonylContact O-C 3.55Å |
| 887 | L | 90.9 | Very high | 87.7 | Confident | 49 Ų | 49 | 39.8 Ų | 39.8 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -78.7 | -39 | 179.7 | -68.1 | 174.8 | 0 | 0 | 0 | 112.8 | V812 V883 N884 N885 Y889 | V812-L887 HydrophobicContact CG2-CD2 3.96Å; V812-L887 HydrophobicContact CG2-CG 3.97Å; V883-L887 HydrophobicContact CG1-CD1 4.06Å; V883-L887 WeakPolarHBondContact O-CG 3.44Å; V883-L887 PolarHBondContact O-N 3.48Å; N884-L887 PolarHBondContact O-N 3.43Å; N885-L887 VanDerWaalsContact C-N 3.34Å; N885-L887 PolarHBondContact O-N 3.47Å; L887-Y889 VanDerWaalsContact C-N 3.32Å |
| 888 | K | 88.5 | Confident | 87 | Confident | 114 Ų | 114 | 40.4 Ų | 40.4 | 50% | 0.496 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.7 | -31.2 | 178.6 | -173 | 177.1 | 177 | -170.7 | 0 | 112.1 | N884 P890 D1059 | N884-K888 WeakPolarHBondContact O-CB 3.31Å; N884-K888 PolarHBondContact O-N 2.87Å; K888-P890 WeakPolarHBondContact O-CD 3.5Å; K888-D1059 IonicContact NZ-OD1 2.7Å; K888-D1059 PolarHBondContact NZ-OD1 2.93Å; K888-D1059 IonicContact NZ-OD2 3.83Å; K888-D1059 PolarHBondContact NZ-OD2 3.33Å |
| 889 | Y | 89.8 | Confident | 86.4 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 7% | 0.071 | 22% | 0.215 | C | C | . | . | trans | -125.9 | 76.5 | -178.1 | -57.2 | -66.1 | 0 | 0 | 0 | 111.8 | N885 C886 L887 E891 L892 D1059 P1060 G1061 I1064 | N885-Y889 WeakPolarHBondContact O-CB 3.24Å; N885-Y889 PolarHBondContact O-N 3.2Å; C886-Y889 CarbonylContact O-C 3.55Å; L887-Y889 VanDerWaalsContact C-N 3.32Å; Y889-E891 WeakPolarHBondContact CA-OE2 3.38Å; Y889-E891 PolarHBondContact O-N 2.87Å; Y889-E891 VanDerWaalsContact O-N 3.08Å; Y889-L892 WeakPolarHBondContact O-CG 3.43Å; Y889-L892 PolarHBondContact O-N 3.5Å; Y889-D1059 PolarHBondContact OH-OD1 2.85Å; Y889-P1060 HydrophobicContact CD2-CG 3.99Å; Y889-P1060 HydrophobicContact CE2-CG 3.43Å; Y889-P1060 VanDerWaalsContact CE2-CG 3.43Å; Y889-G1061 WeakPolarHBondContact OH-CA 3.35Å; Y889-G1061 PolarHBondContact OH-N 3.25Å; Y889-I1064 HydrophobicContact CD1-CB 4.39Å; Y889-I1064 HydrophobicContact CD1-CD1 3.25Å; Y889-I1064 HydrophobicContact CD1-CG1 4.41Å; Y889-I1064 HydrophobicContact CD1-CG2 4.26Å; Y889-I1064 HydrophobicContact CD2-CD1 3.79Å; Y889-I1064 HydrophobicContact CE1-CD1 3.79Å; Y889-I1064 HydrophobicContact CE2-CD1 4.28Å; Y889-I1064 HydrophobicContact CG-CD1 3.23Å | ||
| 890 | P | 90.5 | Very high | 85.7 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -58.9 | -21.5 | 179.9 | -23.5 | 34.3 | 0 | 0 | 0 | 113.6 | N638 R641 A642 L811 K888 L892 Y893 | N638-P890 HydrophobicContact CB-CB 4.46Å; N638-P890 HydrophobicContact CB-CG 3.82Å; N638-P890 WeakPolarHBondContact O-CB 3.31Å; R641-P890 HydrophobicContact CB-CB 4.29Å; A642-P890 WeakPolarHBondContact CA-O 3.05Å; A642-P890 HydrophobicContact CB-CB 3.91Å; A642-P890 WeakPolarHBondContact CB-O 3.28Å; L811-P890 HydrophobicContact CD1-CB 3.79Å; L811-P890 HydrophobicContact CD1-CG 4.04Å; L811-P890 HydrophobicContact CD2-CB 4.32Å; K888-P890 WeakPolarHBondContact O-CD 3.5Å; P890-L892 PolarHBondContact O-N 3.22Å; P890-L892 VanDerWaalsContact O-N 3.1Å; P890-Y893 VanDerWaalsContact O-CB 3.22Å; P890-Y893 WeakPolarHBondContact O-CB 3.34Å; P890-Y893 PolarHBondContact O-N 2.96Å |
| 891 | E | 87.8 | Confident | 85.4 | Confident | 16 Ų | 16 | 38.8 Ų | 38.8 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -60.3 | -22.3 | -179.9 | -59 | 86.5 | 175.9 | 0 | 0 | 113.1 | R641 Y889 Y893 K894 I1064 I1068 | R641-E891 IonicContact NE-OE1 2.97Å; Y889-E891 WeakPolarHBondContact CA-OE2 3.38Å; Y889-E891 PolarHBondContact O-N 2.87Å; Y889-E891 VanDerWaalsContact O-N 3.08Å; E891-Y893 PolarHBondContact O-N 2.91Å; E891-Y893 VanDerWaalsContact O-N 3.16Å; E891-K894 WeakPolarHBondContact O-CB 3.43Å; E891-K894 PolarHBondContact O-N 3.23Å; E891-K894 VanDerWaalsContact O-N 3.12Å; E891-I1064 HydrophobicContact CB-CG2 4.47Å; E891-I1064 HydrophobicContact CG-CG2 4.38Å; E891-I1068 HydrophobicContact CG-CD1 3.88Å; E891-I1068 HydrophobicContact CG-CG1 4.26Å; E891-I1068 WeakPolarHBondContact OE1-CD1 3.48Å |
| 892 | L | 88.5 | Confident | 85.4 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -61.6 | -18.9 | 174.9 | -68.6 | 176.1 | 0 | 0 | 0 | 113.8 | Y889 P890 K894 L1046 V1050 | Y889-L892 WeakPolarHBondContact O-CG 3.43Å; Y889-L892 PolarHBondContact O-N 3.5Å; P890-L892 PolarHBondContact O-N 3.22Å; P890-L892 VanDerWaalsContact O-N 3.1Å; L892-K894 VanDerWaalsContact C-N 3.31Å; L892-L1046 HydrophobicContact CD2-CD2 4.22Å; L892-L1046 HydrophobicContact CD2-CG 4.02Å; L892-V1050 HydrophobicContact CD1-CG1 4.15Å; L892-V1050 HydrophobicContact CD2-CB 4.35Å; L892-V1050 HydrophobicContact CD2-CG2 3.94Å |
| 893 | Y | 91 | Very high | 85.4 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -73 | -22.5 | 177.2 | -171.4 | -94.5 | 0 | 0 | 0 | 112.6 | L358 Q360 V361 A642 I644 L810 L811 A815 P890 E891 D895 T896 Q897 | L358-Y893 PolarHBondContact O-OH 2.89Å; Q360-Y893 PolarHBondContact N-OH 3.21Å; V361-Y893 PolarHBondContact N-OH 2.97Å; V361-Y893 VanDerWaalsContact N-OH 3.08Å; V361-Y893 WeakPolarHBondContact O-CE1 3.5Å; A642-Y893 HydrophobicContact CB-CD1 4.15Å; A642-Y893 HydrophobicContact CB-CG 4.35Å; I644-Y893 HydrophobicContact CD1-CD1 4.16Å; I644-Y893 HydrophobicContact CD1-CE1 3.8Å; I644-Y893 HydrophobicContact CG1-CD1 4.36Å; I644-Y893 HydrophobicContact CG1-CE1 4.07Å; L810-Y893 HydrophobicContact CB-CE2 4.45Å; L810-Y893 WeakPolarHBondContact O-CE2 3.45Å; L811-Y893 HydrophobicContact CD2-CD2 3.97Å; L811-Y893 HydrophobicContact CD2-CG 3.89Å; A815-Y893 HydrophobicContact CB-CD2 4.25Å; P890-Y893 VanDerWaalsContact O-CB 3.22Å; P890-Y893 WeakPolarHBondContact O-CB 3.34Å; P890-Y893 PolarHBondContact O-N 2.96Å; E891-Y893 PolarHBondContact O-N 2.91Å; E891-Y893 VanDerWaalsContact O-N 3.16Å; Y893-D895 PolarHBondContact O-N 2.89Å; Y893-T896 PolarHBondContact O-N 3.34Å; Y893-T896 VanDerWaalsContact O-N 3.11Å; Y893-T896 PolarHBondContact O-OG1 3.22Å; Y893-Q897 HydrophobicContact CD1-CG 3.78Å; Y893-Q897 HydrophobicContact CE1-CG 3.56Å; Y893-Q897 PolarHBondContact O-N 3.36Å |
| 894 | K | 86.6 | Confident | 85.2 | Confident | 95 Ų | 95 | 40.9 Ų | 40.9 | 41% | 0.413 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.7 | -32.6 | 177.8 | -66.5 | -177.1 | 178.9 | -177.2 | 0 | 112.9 | R641 A642 E891 L892 T896 Q897 A898 | R641-K894 WeakPolarHBondContact O-CE 3.36Å; A642-K894 WeakPolarHBondContact O-CG 3.3Å; E891-K894 WeakPolarHBondContact O-CB 3.43Å; E891-K894 PolarHBondContact O-N 3.23Å; E891-K894 VanDerWaalsContact O-N 3.12Å; L892-K894 VanDerWaalsContact C-N 3.31Å; K894-T896 VanDerWaalsContact C-N 3.27Å; K894-T896 PolarHBondContact O-N 2.96Å; K894-Q897 PolarHBondContact O-N 2.8Å; K894-A898 PolarHBondContact O-N 2.98Å; K894-A898 VanDerWaalsContact O-N 3.13Å |
| 895 | D | 84.6 | Confident | 85.3 | Confident | 48 Ų | 48 | 43.6 Ų | 43.6 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62 | -35 | 177.6 | -76.1 | -1.4 | 0 | 0 | 0 | 111.8 | Y893 R1047 | Y893-D895 PolarHBondContact O-N 2.89Å; D895-R1047 PolarHBondContact OD2-N 2.87Å |
| 896 | T | 85.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -81.1 | -34.2 | 179.5 | 56.2 | 0 | 0 | 0 | 0 | 112 | G359 A815 Y818 Y893 K894 A898 S899 | G359-T896 WeakPolarHBondContact O-CB 3.44Å; G359-T896 PolarHBondContact O-OG1 3.15Å; A815-T896 HydrophobicContact CB-CG2 4.41Å; Y818-T896 HydrophobicContact CD1-CG2 3.86Å; Y818-T896 HydrophobicContact CE1-CG2 4.48Å; Y893-T896 PolarHBondContact O-N 3.34Å; Y893-T896 VanDerWaalsContact O-N 3.11Å; Y893-T896 PolarHBondContact O-OG1 3.22Å; K894-T896 VanDerWaalsContact C-N 3.27Å; K894-T896 PolarHBondContact O-N 2.96Å; T896-A898 PolarHBondContact O-N 2.91Å; T896-S899 PolarHBondContact O-N 3.02Å |
| 897 | Q | 84.7 | Confident | 85.5 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 173.1 | -68 | 177.2 | -33.2 | 0 | 0 | 112.5 | V361 A642 G643 Y893 K894 S899 | V361-Q897 PolarHBondContact O-NE2 2.99Å; A642-Q897 PolarHBondContact O-OE1 3.46Å; G643-Q897 PolarHBondContact O-NE2 3.18Å; Y893-Q897 HydrophobicContact CD1-CG 3.78Å; Y893-Q897 HydrophobicContact CE1-CG 3.56Å; Y893-Q897 PolarHBondContact O-N 3.36Å; K894-Q897 PolarHBondContact O-N 2.8Å; Q897-S899 PolarHBondContact O-N 3.04Å |
| 898 | A | 75.4 | Confident | 85.6 | Confident | 75 Ų | 75 | 46.4 Ų | 46.4 | 62% | 0.62 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -2.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K894 T896 A900 | K894-A898 PolarHBondContact O-N 2.98Å; K894-A898 VanDerWaalsContact O-N 3.13Å; T896-A898 PolarHBondContact O-N 2.91Å; A898-A900 PolarHBondContact O-N 3.21Å |
| 899 | S | 76 | Confident | 85.8 | Confident | 25 Ų | 25 | 43.4 Ų | 43.4 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 28.6 | -176.9 | -57.5 | 0 | 0 | 0 | 0 | 113.9 | Q360 Y818 T896 Q897 S901 F902 | Q360-S899 PolarHBondContact NE2-OG 3.32Å; Y818-S899 WeakPolarHBondContact OH-CA 3.46Å; T896-S899 PolarHBondContact O-N 3.02Å; Q897-S899 PolarHBondContact O-N 3.04Å; S899-S901 PolarHBondContact O-N 3.41Å; S899-F902 CarbonylContact O-C 3.56Å; S899-F902 PolarHBondContact O-N 3.35Å; S899-F902 VanDerWaalsContact O-N 3.13Å |
| 900 | A | 70.5 | Confident | 86 | Confident | 57 Ų | 57 | 44.3 Ų | 44.3 | 47% | 0.471 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -30.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A898 N903 | A898-A900 PolarHBondContact O-N 3.21Å; A900-N903 PolarHBondContact O-ND2 3.07Å |
| 901 | S | 74.8 | Confident | 86.1 | Confident | 48 Ų | 48 | 45 Ų | 45 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -26.1 | 178.5 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | T822 S899 | T822-S901 WeakPolarHBondContact CG2-O 3.46Å; S899-S901 PolarHBondContact O-N 3.41Å |
| 902 | F | 83.3 | Confident | 86.4 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -128.1 | 80.2 | -175.8 | -159 | -128.3 | 0 | 0 | 0 | 110.6 | V247 Q250 Y254 T822 I825 L826 S899 | V247-F902 HydrophobicContact CG1-CD1 4.23Å; V247-F902 HydrophobicContact CG1-CE1 3.94Å; Q250-F902 HydrophobicContact CB-CD1 4.26Å; Q250-F902 HydrophobicContact CB-CE1 3.7Å; Y254-F902 HydrophobicContact CD2-CE1 4.26Å; Y254-F902 HydrophobicContact CD2-CE2 4.04Å; Y254-F902 AromaticContact CD2-CZ 3.6Å; Y254-F902 HydrophobicContact CD2-CZ 3.6Å; Y254-F902 HydrophobicContact CE2-CD1 4.35Å; Y254-F902 HydrophobicContact CE2-CD2 4.26Å; Y254-F902 AromaticContact CE2-CE1 3.71Å; Y254-F902 HydrophobicContact CE2-CE1 3.71Å; Y254-F902 AromaticContact CE2-CE2 3.65Å; Y254-F902 HydrophobicContact CE2-CE2 3.65Å; Y254-F902 AromaticContact CE2-CZ 3.34Å; Y254-F902 HydrophobicContact CE2-CZ 3.34Å; T822-F902 HydrophobicContact CG2-CB 3.53Å; T822-F902 HydrophobicContact CG2-CD2 3.65Å; T822-F902 HydrophobicContact CG2-CG 3.88Å; I825-F902 HydrophobicContact CB-CE2 4.44Å; I825-F902 HydrophobicContact CD1-CZ 4.45Å; I825-F902 HydrophobicContact CG2-CE2 3.97Å; I825-F902 HydrophobicContact CG2-CZ 3.97Å; L826-F902 HydrophobicContact CD1-CD2 4.31Å; L826-F902 HydrophobicContact CD2-CD2 4.18Å; L826-F902 HydrophobicContact CD2-CE2 4.02Å; L826-F902 HydrophobicContact CG-CD2 4.16Å; L826-F902 HydrophobicContact CG-CE2 4.15Å; S899-F902 CarbonylContact O-C 3.56Å; S899-F902 PolarHBondContact O-N 3.35Å; S899-F902 VanDerWaalsContact O-N 3.13Å |
| 903 | N | 85.7 | Confident | 86.7 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | trans | -126 | 161 | 175.6 | 67.6 | 37.8 | 0 | 0 | 0 | 110.5 | Y254 A900 K905 V906 F907 | Y254-N903 VanDerWaalsContact OH-C 3.23Å; A900-N903 PolarHBondContact O-ND2 3.07Å; N903-K905 PolarHBondContact O-N 3.34Å; N903-K905 WeakPolarHBondContact OD1-CB 3.47Å; N903-K905 PolarHBondContact OD1-N 3.02Å; N903-V906 PolarHBondContact O-N 2.83Å; N903-V906 WeakPolarHBondContact OD1-CB 3.49Å; N903-V906 WeakPolarHBondContact OD1-CG2 3.48Å; N903-V906 PolarHBondContact OD1-N 3.39Å; N903-F907 PolarHBondContact O-N 3.12Å | ||
| 904 | P | 87.7 | Confident | 86.9 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 47% | 0.468 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.7 | -32.6 | -179.8 | -26 | 34.2 | 0 | 0 | 0 | 113.2 | Y254 F907 F908 | Y254-P904 HydrophobicContact CE1-CB 4.35Å; Y254-P904 HydrophobicContact CE1-CG 4.3Å; Y254-P904 WeakPolarHBondContact OH-CA 3.5Å; Y254-P904 WeakPolarHBondContact OH-CD 3.48Å; Y254-P904 VanDerWaalsContact OH-N 3.12Å; P904-F907 WeakPolarHBondContact O-CB 3.15Å; P904-F907 PolarHBondContact O-N 2.98Å; P904-F908 WeakPolarHBondContact O-CD2 3.45Å; P904-F908 PolarHBondContact O-N 3.36Å |
| 905 | K | 90.7 | Very high | 87.2 | Confident | 178 Ų | 178 | 48.8 Ų | 48.8 | 77% | 0.774 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.8 | -44.8 | 178.9 | -63 | -177.9 | 179.3 | 179 | 0 | 111.8 | N903 C909 | N903-K905 PolarHBondContact O-N 3.34Å; N903-K905 WeakPolarHBondContact OD1-CB 3.47Å; N903-K905 PolarHBondContact OD1-N 3.02Å; K905-C909 WeakPolarHBondContact O-CB 3.34Å; K905-C909 PolarHBondContact O-N 3.06Å |
| 906 | V | 90.4 | Very high | 87.7 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 24% | 0.242 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 175.5 | 171.4 | 0 | 0 | 0 | 0 | 108.6 | L826 N903 F908 C909 W910 | L826-V906 HydrophobicContact CD1-CG1 3.77Å; L826-V906 HydrophobicContact CD2-CG1 4.5Å; N903-V906 PolarHBondContact O-N 2.83Å; N903-V906 WeakPolarHBondContact OD1-CB 3.49Å; N903-V906 WeakPolarHBondContact OD1-CG2 3.48Å; N903-V906 PolarHBondContact OD1-N 3.39Å; V906-F908 PolarHBondContact O-N 3.04Å; V906-C909 WeakPolarHBondContact O-CA 3.49Å; V906-C909 VanDerWaalsContact O-CB 3.3Å; V906-C909 WeakPolarHBondContact O-CB 3.48Å; V906-C909 PolarHBondContact O-N 2.97Å; V906-W910 PolarHBondContact O-N 2.71Å |
| 907 | F | 91.8 | Very high | 88.2 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.013 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -52 | -53.7 | 176.1 | 172.7 | -101.2 | 0 | 0 | 0 | 112.3 | Y254 L258 L826 F829 N903 P904 C909 W910 I911 | Y254-F907 HydrophobicContact CD1-CD1 4.03Å; Y254-F907 HydrophobicContact CD1-CD2 4.43Å; Y254-F907 HydrophobicContact CD1-CE1 4.34Å; Y254-F907 HydrophobicContact CD1-CG 4.07Å; Y254-F907 HydrophobicContact CD2-CB 4.48Å; Y254-F907 AromaticContact CD2-CD2 3.93Å; Y254-F907 HydrophobicContact CD2-CD2 3.93Å; Y254-F907 HydrophobicContact CD2-CE2 4.43Å; Y254-F907 HydrophobicContact CD2-CG 4.18Å; Y254-F907 HydrophobicContact CE1-CB 4.3Å; Y254-F907 HydrophobicContact CE1-CD1 4.39Å; Y254-F907 HydrophobicContact CE1-CG 4.3Å; Y254-F907 HydrophobicContact CE2-CB 4.19Å; Y254-F907 HydrophobicContact CE2-CD2 4.45Å; Y254-F907 HydrophobicContact CE2-CG 4.38Å; Y254-F907 HydrophobicContact CG-CD1 4.31Å; Y254-F907 AromaticContact CG-CD2 3.93Å; Y254-F907 HydrophobicContact CG-CD2 3.93Å; Y254-F907 HydrophobicContact CG-CE1 4.47Å; Y254-F907 HydrophobicContact CG-CE2 4.11Å; Y254-F907 HydrophobicContact CG-CG 4.04Å; Y254-F907 HydrophobicContact CG-CZ 4.38Å; L258-F907 HydrophobicContact CD1-CZ 4.37Å; L258-F907 HydrophobicContact CD2-CZ 4.28Å; L258-F907 HydrophobicContact CG-CZ 4.07Å; L826-F907 HydrophobicContact CD2-CB 4.34Å; L826-F907 HydrophobicContact CD2-CD2 4.33Å; F829-F907 HydrophobicContact CB-CE2 4.41Å; F829-F907 HydrophobicContact CD2-CD2 4.27Å; F829-F907 AromaticContact CD2-CE2 3.78Å; F829-F907 HydrophobicContact CD2-CE2 3.78Å; F829-F907 HydrophobicContact CE2-CE2 4.2Å; F829-F907 HydrophobicContact CG-CE2 4.13Å; N903-F907 PolarHBondContact O-N 3.12Å; P904-F907 WeakPolarHBondContact O-CB 3.15Å; P904-F907 PolarHBondContact O-N 2.98Å; F907-C909 VanDerWaalsContact C-N 3.3Å; F907-C909 PolarHBondContact O-N 3.11Å; F907-W910 WeakPolarHBondContact O-CB 3.49Å; F907-W910 PolarHBondContact O-N 2.93Å; F907-W910 VanDerWaalsContact O-N 3.12Å; F907-I911 HydrophobicContact CD1-CG1 4.4Å; F907-I911 HydrophobicContact CE1-CG1 3.94Å; F907-I911 HydrophobicContact CE2-CD1 4.09Å; F907-I911 HydrophobicContact CE2-CG1 4.08Å; F907-I911 HydrophobicContact CZ-CD1 3.95Å; F907-I911 HydrophobicContact CZ-CG1 3.76Å; F907-I911 WeakPolarHBondContact O-CG1 3.34Å; F907-I911 PolarHBondContact O-N 3.2Å |
| 908 | F | 92.7 | Very high | 88.7 | Confident | 90 Ų | 90 | 49 Ų | 49 | 40% | 0.395 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.2 | -34.3 | 177.8 | -76.5 | -66.7 | 0 | 0 | 0 | 112.9 | P904 V906 W910 I911 F912 | P904-F908 WeakPolarHBondContact O-CD2 3.45Å; P904-F908 PolarHBondContact O-N 3.36Å; V906-F908 PolarHBondContact O-N 3.04Å; F908-W910 VanDerWaalsContact C-N 3.31Å; F908-W910 PolarHBondContact O-N 2.98Å; F908-I911 PolarHBondContact O-N 2.94Å; F908-F912 HydrophobicContact CB-CD2 4.34Å; F908-F912 HydrophobicContact CB-CE2 4.1Å; F908-F912 WeakPolarHBondContact O-CD2 3.41Å; F908-F912 WeakPolarHBondContact O-CG 3.29Å; F908-F912 PolarHBondContact O-N 3.3Å |
| 909 | C | 93.1 | Very high | 89.6 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 35% | 0.345 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.7 | -41 | 173.8 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | K905 V906 F907 N913 | K905-C909 WeakPolarHBondContact O-CB 3.34Å; K905-C909 PolarHBondContact O-N 3.06Å; V906-C909 WeakPolarHBondContact O-CA 3.49Å; V906-C909 VanDerWaalsContact O-CB 3.3Å; V906-C909 WeakPolarHBondContact O-CB 3.48Å; V906-C909 PolarHBondContact O-N 2.97Å; F907-C909 VanDerWaalsContact C-N 3.3Å; F907-C909 PolarHBondContact O-N 3.11Å; C909-N913 WeakPolarHBondContact O-CB 3.4Å; C909-N913 PolarHBondContact O-N 3.15Å |
| 910 | W | 94.2 | Very high | 90.5 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.3 | -38.2 | 174.5 | -79.3 | 90.5 | 0 | 0 | 0 | 112.7 | L826 Y830 V906 F907 F908 N913 S914 E965 | L826-W910 HydrophobicContact CB-CD2 4.09Å; L826-W910 HydrophobicContact CB-CG 4.2Å; L826-W910 HydrophobicContact CB-CZ2 4.38Å; L826-W910 HydrophobicContact CD2-CG 4.43Å; Y830-W910 HydrophobicContact CD1-CZ3 4.49Å; Y830-W910 HydrophobicContact CD2-CE3 4.33Å; Y830-W910 AromaticContact CG-CE3 3.97Å; Y830-W910 HydrophobicContact CG-CE3 3.97Å; Y830-W910 HydrophobicContact CG-CZ3 4.28Å; V906-W910 PolarHBondContact O-N 2.71Å; F907-W910 WeakPolarHBondContact O-CB 3.49Å; F907-W910 PolarHBondContact O-N 2.93Å; F907-W910 VanDerWaalsContact O-N 3.12Å; F908-W910 VanDerWaalsContact C-N 3.31Å; F908-W910 PolarHBondContact O-N 2.98Å; W910-N913 WeakPolarHBondContact O-CB 3.27Å; W910-N913 PolarHBondContact O-N 3.1Å; W910-S914 PolarHBondContact O-N 3.42Å; W910-E965 HydrophobicContact CH2-CG 3.78Å |
| 911 | I | 93.2 | Very high | 91.7 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 9% | 0.087 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67 | -43.4 | 175.4 | -61.8 | -60.6 | 0 | 0 | 0 | 111.5 | L258 F829 V833 F907 F908 N913 S914 I915 | L258-I911 HydrophobicContact CD2-CD1 3.97Å; F829-I911 HydrophobicContact CB-CD1 4.46Å; V833-I911 HydrophobicContact CG2-CD1 3.98Å; F907-I911 HydrophobicContact CD1-CG1 4.4Å; F907-I911 HydrophobicContact CE1-CG1 3.94Å; F907-I911 HydrophobicContact CE2-CD1 4.09Å; F907-I911 HydrophobicContact CE2-CG1 4.08Å; F907-I911 HydrophobicContact CZ-CD1 3.95Å; F907-I911 HydrophobicContact CZ-CG1 3.76Å; F907-I911 WeakPolarHBondContact O-CG1 3.34Å; F907-I911 PolarHBondContact O-N 3.2Å; F908-I911 PolarHBondContact O-N 2.94Å; I911-N913 PolarHBondContact O-N 3.45Å; I911-S914 PolarHBondContact O-N 3.21Å; I911-S914 PolarHBondContact O-OG 3.3Å; I911-I915 HydrophobicContact CG2-CD1 4.18Å; I911-I915 WeakPolarHBondContact O-CG1 3.22Å; I911-I915 PolarHBondContact O-N 3.08Å |
| 912 | F | 94.3 | Very high | 92.6 | Very high | 135 Ų | 135 | 42.3 Ų | 42.3 | 59% | 0.592 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.4 | -34.1 | 174.1 | -71.9 | -57.2 | 0 | 0 | 0 | 111.8 | F908 I915 Y916 | F908-F912 HydrophobicContact CB-CD2 4.34Å; F908-F912 HydrophobicContact CB-CE2 4.1Å; F908-F912 WeakPolarHBondContact O-CD2 3.41Å; F908-F912 WeakPolarHBondContact O-CG 3.29Å; F908-F912 PolarHBondContact O-N 3.3Å; F912-I915 HydrophobicContact CD1-CD1 4.14Å; F912-I915 PolarHBondContact O-N 3.5Å; F912-Y916 WeakPolarHBondContact O-CB 3.32Å; F912-Y916 PolarHBondContact O-N 3.42Å |
| 913 | N | 94.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.6 | -39.5 | 174.1 | -161.1 | 31.4 | 0 | 0 | 0 | 112.7 | C909 W910 I911 Y916 H917 R1031 D1032 | C909-N913 WeakPolarHBondContact O-CB 3.4Å; C909-N913 PolarHBondContact O-N 3.15Å; W910-N913 WeakPolarHBondContact O-CB 3.27Å; W910-N913 PolarHBondContact O-N 3.1Å; I911-N913 PolarHBondContact O-N 3.45Å; N913-Y916 PolarHBondContact O-N 3.44Å; N913-H917 PolarHBondContact O-N 3.1Å; N913-R1031 VanDerWaalsContact CG-NH1 3.31Å; N913-R1031 PolarHBondContact OD1-NH1 3.11Å; N913-D1032 PolarHBondContact ND2-OD1 3.17Å; N913-D1032 PolarHBondContact ND2-OD2 3.33Å; N913-D1032 PolarHBondContact OD1-OD1 3.13Å |
| 914 | S | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.2 | -37.4 | 175.5 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | Y830 V833 W910 I911 H917 S918 | Y830-S914 WeakPolarHBondContact O-CB 3.29Å; V833-S914 WeakPolarHBondContact CB-OG 3.22Å; V833-S914 WeakPolarHBondContact CG1-OG 3.27Å; W910-S914 PolarHBondContact O-N 3.42Å; I911-S914 PolarHBondContact O-N 3.21Å; I911-S914 PolarHBondContact O-OG 3.3Å; S914-H917 PolarHBondContact O-N 2.96Å; S914-S918 VanDerWaalsContact O-CB 3.26Å; S914-S918 WeakPolarHBondContact O-CB 3.42Å; S914-S918 PolarHBondContact O-N 3.48Å; S914-S918 PolarHBondContact O-OG 3.02Å |
| 915 | I | 94.1 | Very high | 93.7 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 31% | 0.308 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.5 | -50.2 | 172.6 | -65 | 166.1 | 0 | 0 | 0 | 109.9 | L837 W841 I911 F912 H917 S918 S919 | L837-I915 HydrophobicContact CD2-CB 4.02Å; L837-I915 HydrophobicContact CD2-CG1 3.62Å; L837-I915 HydrophobicContact CD2-CG2 4.01Å; W841-I915 HydrophobicContact CZ2-CG2 4.34Å; I911-I915 HydrophobicContact CG2-CD1 4.18Å; I911-I915 WeakPolarHBondContact O-CG1 3.22Å; I911-I915 PolarHBondContact O-N 3.08Å; F912-I915 HydrophobicContact CD1-CD1 4.14Å; F912-I915 PolarHBondContact O-N 3.5Å; I915-H917 PolarHBondContact O-N 2.68Å; I915-S918 PolarHBondContact O-N 2.85Å; I915-S918 PolarHBondContact O-OG 2.81Å; I915-S919 PolarHBondContact O-N 3.38Å |
| 916 | Y | 95.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 36.6 Ų | 36.6 | 34% | 0.341 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -56.1 | -52.9 | 177.2 | 172.6 | -108.6 | 0 | 0 | 0 | 112 | F912 N913 S918 S919 L920 R1031 | F912-Y916 WeakPolarHBondContact O-CB 3.32Å; F912-Y916 PolarHBondContact O-N 3.42Å; N913-Y916 PolarHBondContact O-N 3.44Å; Y916-S918 PolarHBondContact O-N 3.36Å; Y916-S919 PolarHBondContact O-N 3.16Å; Y916-S919 PolarHBondContact O-OG 2.82Å; Y916-L920 HydrophobicContact CD1-CD1 4.43Å; Y916-L920 HydrophobicContact CD2-CD1 4.46Å; Y916-L920 HydrophobicContact CE1-CD1 3.74Å; Y916-L920 HydrophobicContact CE2-CD1 3.81Å; Y916-L920 HydrophobicContact CE2-CG 4.29Å; Y916-L920 PolarHBondContact O-N 3.34Å; Y916-L920 WeakPolarHBondContact OH-CD1 3.45Å; Y916-R1031 HydrophobicContact CE1-CB 3.88Å; Y916-R1031 HydrophobicContact CE1-CG 4.12Å |
| 917 | H | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 178.4 | -73.9 | -176.9 | 0 | 0 | 0 | 112.9 | Y830 N913 S914 I915 S919 L920 L921 A1028 D1032 | Y830-H917 AromaticContact CE2-ND1 3.61Å; Y830-H917 AromaticContact CZ-ND1 3.56Å; Y830-H917 PolarHBondContact OH-ND1 3.49Å; N913-H917 PolarHBondContact O-N 3.1Å; S914-H917 PolarHBondContact O-N 2.96Å; I915-H917 PolarHBondContact O-N 2.68Å; H917-S919 PolarHBondContact O-N 3.35Å; H917-L920 PolarHBondContact O-N 2.89Å; H917-L921 HydrophobicContact CB-CD1 4.26Å; H917-L921 VanDerWaalsContact O-CB 3.29Å; H917-L921 WeakPolarHBondContact O-CB 3.33Å; H917-L921 WeakPolarHBondContact O-CD1 3.43Å; H917-L921 WeakPolarHBondContact O-CG 3.27Å; H917-L921 PolarHBondContact O-N 3.28Å; H917-A1028 PolarHBondContact NE2-O 3.15Å; H917-A1028 VanDerWaalsContact NE2-O 3.11Å; H917-D1032 IonicContact CE1-OD2 3.36Å; H917-D1032 PolarHBondContact CE1-OD2 3.29Å; H917-D1032 IonicContact NE2-OD2 3.16Å |
| 918 | S | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.3 | -35.8 | 178.6 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | C834 L837 W841 S914 I915 Y916 F922 | C834-S918 VanDerWaalsContact O-CB 3.25Å; C834-S918 WeakPolarHBondContact O-CB 3.45Å; L837-S918 WeakPolarHBondContact CD2-OG 3.43Å; W841-S918 PolarHBondContact NE1-OG 2.93Å; S914-S918 VanDerWaalsContact O-CB 3.26Å; S914-S918 WeakPolarHBondContact O-CB 3.42Å; S914-S918 PolarHBondContact O-N 3.48Å; S914-S918 PolarHBondContact O-OG 3.02Å; I915-S918 PolarHBondContact O-N 2.85Å; I915-S918 PolarHBondContact O-OG 2.81Å; Y916-S918 PolarHBondContact O-N 3.36Å; S918-F922 WeakPolarHBondContact O-CB 3.42Å; S918-F922 PolarHBondContact O-N 3.02Å |
| 919 | S | 94.6 | Very high | 93.3 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 21% | 0.21 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.9 | -47.2 | 179.1 | 73 | 0 | 0 | 0 | 0 | 111.3 | I915 Y916 H917 F922 W923 | I915-S919 PolarHBondContact O-N 3.38Å; Y916-S919 PolarHBondContact O-N 3.16Å; Y916-S919 PolarHBondContact O-OG 2.82Å; H917-S919 PolarHBondContact O-N 3.35Å; S919-F922 PolarHBondContact O-N 3.32Å; S919-W923 WeakPolarHBondContact O-CB 3.42Å; S919-W923 PolarHBondContact O-N 3.48Å |
| 920 | L | 95 | Very high | 92.9 | Very high | 34 Ų | 34 | 40.3 Ų | 40.3 | 18% | 0.178 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 177.8 | -65.2 | 179.8 | 0 | 0 | 0 | 111.8 | Y916 H917 F922 I924 I1027 A1028 | Y916-L920 HydrophobicContact CD1-CD1 4.43Å; Y916-L920 HydrophobicContact CD2-CD1 4.46Å; Y916-L920 HydrophobicContact CE1-CD1 3.74Å; Y916-L920 HydrophobicContact CE2-CD1 3.81Å; Y916-L920 HydrophobicContact CE2-CG 4.29Å; Y916-L920 PolarHBondContact O-N 3.34Å; Y916-L920 WeakPolarHBondContact OH-CD1 3.45Å; H917-L920 PolarHBondContact O-N 2.89Å; L920-F922 PolarHBondContact O-N 3.46Å; L920-I924 HydrophobicContact CB-CD1 4.12Å; L920-I924 HydrophobicContact CD2-CD1 4.06Å; L920-I924 WeakPolarHBondContact O-CB 3.48Å; L920-I924 WeakPolarHBondContact O-CG1 3.24Å; L920-I924 PolarHBondContact O-N 3.47Å; L920-I1027 HydrophobicContact CD1-CG2 4.39Å; L920-A1028 HydrophobicContact CD1-CB 4.49Å |
| 921 | L | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.7 | -18.1 | -178.5 | -70.6 | 166.7 | 0 | 0 | 0 | 113.2 | I838 H917 P925 V954 T957 I1024 | I838-L921 HydrophobicContact CD1-CB 4.21Å; H917-L921 HydrophobicContact CB-CD1 4.26Å; H917-L921 VanDerWaalsContact O-CB 3.29Å; H917-L921 WeakPolarHBondContact O-CB 3.33Å; H917-L921 WeakPolarHBondContact O-CD1 3.43Å; H917-L921 WeakPolarHBondContact O-CG 3.27Å; H917-L921 PolarHBondContact O-N 3.28Å; L921-P925 WeakPolarHBondContact O-CD 3.23Å; L921-P925 WeakPolarHBondContact O-CG 3.47Å; L921-V954 HydrophobicContact CB-CG2 4.3Å; L921-V954 HydrophobicContact CD1-CG2 4.05Å; L921-T957 HydrophobicContact CD1-CG2 4.23Å; L921-T957 HydrophobicContact CD2-CG2 4.48Å; L921-T957 WeakPolarHBondContact CD2-OG1 3.17Å; L921-I1024 HydrophobicContact CD2-CG2 3.86Å |
| 922 | F | 94.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -101 | -52 | 176.2 | 179 | -106.8 | 0 | 0 | 0 | 113 | I838 W841 F842 L845 S918 S919 L920 P925 L926 | I838-F922 HydrophobicContact CG1-CB 4.32Å; I838-F922 HydrophobicContact CG2-CB 4.05Å; I838-F922 HydrophobicContact CG2-CD2 3.57Å; I838-F922 HydrophobicContact CG2-CE2 4.38Å; I838-F922 HydrophobicContact CG2-CG 4.1Å; W841-F922 HydrophobicContact CB-CB 4.39Å; W841-F922 HydrophobicContact CB-CD1 3.31Å; W841-F922 HydrophobicContact CB-CE1 3.61Å; W841-F922 HydrophobicContact CB-CG 3.87Å; W841-F922 HydrophobicContact CB-CZ 4.39Å; W841-F922 HydrophobicContact CG-CD1 4.18Å; F842-F922 HydrophobicContact CB-CE2 3.88Å; F842-F922 HydrophobicContact CB-CZ 3.84Å; F842-F922 HydrophobicContact CD2-CE2 4.22Å; F842-F922 HydrophobicContact CD2-CZ 4.11Å; L845-F922 HydrophobicContact CD1-CE1 3.91Å; L845-F922 HydrophobicContact CD1-CZ 3.72Å; S918-F922 WeakPolarHBondContact O-CB 3.42Å; S918-F922 PolarHBondContact O-N 3.02Å; S919-F922 PolarHBondContact O-N 3.32Å; L920-F922 PolarHBondContact O-N 3.46Å; F922-P925 WeakPolarHBondContact O-CD 3.18Å; F922-L926 HydrophobicContact CE1-CD2 4.22Å; F922-L926 HydrophobicContact CZ-CD2 4.43Å; F922-L926 WeakPolarHBondContact O-CB 3.26Å; F922-L926 PolarHBondContact O-N 2.95Å; F922-L926 VanDerWaalsContact O-N 3.1Å |
| 923 | W | 94.1 | Very high | 89.8 | Confident | 92 Ų | 92 | 42.6 Ų | 42.6 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.8 | -35.6 | -172.6 | -70.7 | 109.6 | 0 | 0 | 0 | 112.7 | L845 S919 L926 L927 | L845-W923 HydrophobicContact CD2-CH2 4.11Å; L845-W923 HydrophobicContact CD2-CZ3 4.32Å; S919-W923 WeakPolarHBondContact O-CB 3.42Å; S919-W923 PolarHBondContact O-N 3.48Å; W923-L926 HydrophobicContact CE3-CD2 3.73Å; W923-L926 HydrophobicContact CZ3-CD2 3.72Å; W923-L926 PolarHBondContact O-N 3.43Å; W923-L927 VanDerWaalsContact O-CG 3.29Å; W923-L927 WeakPolarHBondContact O-CG 3.32Å; W923-L927 PolarHBondContact O-N 2.97Å |
| 924 | I | 93.7 | Very high | 89 | Confident | 46 Ų | 46 | 43 Ų | 43 | 24% | 0.236 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.5 | -50 | 179.2 | -59.4 | 172.9 | 0 | 0 | 0 | 111.2 | L920 L926 L927 A928 I1024 I1027 | L920-I924 HydrophobicContact CB-CD1 4.12Å; L920-I924 HydrophobicContact CD2-CD1 4.06Å; L920-I924 WeakPolarHBondContact O-CB 3.48Å; L920-I924 WeakPolarHBondContact O-CG1 3.24Å; L920-I924 PolarHBondContact O-N 3.47Å; I924-L926 VanDerWaalsContact C-N 3.33Å; I924-L926 PolarHBondContact O-N 3.33Å; I924-L927 PolarHBondContact O-N 2.95Å; I924-A928 PolarHBondContact O-N 3.46Å; I924-I1024 HydrophobicContact CB-CD1 4.32Å; I924-I1024 HydrophobicContact CG2-CD1 3.82Å; I924-I1024 HydrophobicContact CG2-CG1 3.85Å; I924-I1027 HydrophobicContact CD1-CG2 4.38Å |
| 925 | P | 91.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 172.8 | -27.8 | 37.2 | 0 | 0 | 0 | 112.9 | L921 F922 L927 A928 F929 L946 V950 Y953 I1024 | L921-P925 WeakPolarHBondContact O-CD 3.23Å; L921-P925 WeakPolarHBondContact O-CG 3.47Å; F922-P925 WeakPolarHBondContact O-CD 3.18Å; P925-L927 VanDerWaalsContact C-N 3.3Å; P925-L927 PolarHBondContact O-N 3.41Å; P925-A928 WeakPolarHBondContact O-CB 3.27Å; P925-A928 PolarHBondContact O-N 2.77Å; P925-F929 HydrophobicContact CB-CD2 4.4Å; P925-F929 VanDerWaalsContact O-CD2 3.25Å; P925-F929 WeakPolarHBondContact O-CD2 3.39Å; P925-F929 PolarHBondContact O-N 3.19Å; P925-L946 HydrophobicContact CB-CD1 4.13Å; P925-V950 HydrophobicContact CB-CG2 3.72Å; P925-V950 HydrophobicContact CG-CG2 3.98Å; P925-Y953 HydrophobicContact CB-CD2 4.37Å; P925-Y953 HydrophobicContact CB-CE2 4.04Å; P925-Y953 HydrophobicContact CG-CD2 3.57Å; P925-Y953 HydrophobicContact CG-CE2 3.65Å; P925-I1024 HydrophobicContact CB-CD1 4.49Å; P925-I1024 HydrophobicContact CG-CD1 3.61Å |
| 926 | L | 91.1 | Very high | 87.6 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.4 | -44.9 | 179.8 | -177.8 | 73.2 | 0 | 0 | 0 | 111.8 | L845 F922 W923 I924 F929 S930 L946 | L845-L926 HydrophobicContact CD1-CD1 4.15Å; L845-L926 HydrophobicContact CD1-CD2 3.39Å; L845-L926 HydrophobicContact CD1-CG 4.42Å; F922-L926 HydrophobicContact CE1-CD2 4.22Å; F922-L926 HydrophobicContact CZ-CD2 4.43Å; F922-L926 WeakPolarHBondContact O-CB 3.26Å; F922-L926 PolarHBondContact O-N 2.95Å; F922-L926 VanDerWaalsContact O-N 3.1Å; W923-L926 HydrophobicContact CE3-CD2 3.73Å; W923-L926 HydrophobicContact CZ3-CD2 3.72Å; W923-L926 PolarHBondContact O-N 3.43Å; I924-L926 VanDerWaalsContact C-N 3.33Å; I924-L926 PolarHBondContact O-N 3.33Å; L926-F929 PolarHBondContact O-N 3.17Å; L926-S930 PolarHBondContact O-N 3.09Å; L926-S930 VanDerWaalsContact O-N 3.09Å; L926-L946 HydrophobicContact CD1-CD2 3.88Å |
| 927 | L | 91 | Very high | 86.9 | Confident | 119 Ų | 119 | 48.2 Ų | 48.2 | 62% | 0.623 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 175.3 | -71.3 | 169.8 | 0 | 0 | 0 | 111.6 | W923 I924 P925 S930 | W923-L927 VanDerWaalsContact O-CG 3.29Å; W923-L927 WeakPolarHBondContact O-CG 3.32Å; W923-L927 PolarHBondContact O-N 2.97Å; I924-L927 PolarHBondContact O-N 2.95Å; P925-L927 VanDerWaalsContact C-N 3.3Å; P925-L927 PolarHBondContact O-N 3.41Å; L927-S930 WeakPolarHBondContact O-CB 3.37Å; L927-S930 PolarHBondContact O-N 3.4Å; L927-S930 PolarHBondContact O-OG 2.79Å |
| 928 | A | 88.3 | Confident | 86.2 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | I924 P925 S930 I1016 | I924-A928 PolarHBondContact O-N 3.46Å; P925-A928 WeakPolarHBondContact O-CB 3.27Å; P925-A928 PolarHBondContact O-N 2.77Å; A928-S930 VanDerWaalsContact C-N 3.33Å; A928-I1016 HydrophobicContact CB-CG2 3.87Å |
| 929 | F | 86.8 | Confident | 85.6 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 7% | 0.066 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -83 | -4.9 | 177.8 | -78.3 | -81.5 | 0 | 0 | 0 | 113.8 | P925 L926 V931 V934 V945 L946 S949 I1016 | P925-F929 HydrophobicContact CB-CD2 4.4Å; P925-F929 VanDerWaalsContact O-CD2 3.25Å; P925-F929 WeakPolarHBondContact O-CD2 3.39Å; P925-F929 PolarHBondContact O-N 3.19Å; L926-F929 PolarHBondContact O-N 3.17Å; F929-V931 PolarHBondContact O-N 3.21Å; F929-V934 HydrophobicContact CD1-CG1 4Å; F929-V934 HydrophobicContact CD1-CG2 4.1Å; F929-V934 HydrophobicContact CE1-CG1 3.88Å; F929-V945 HydrophobicContact CE1-CG1 4.1Å; F929-L946 HydrophobicContact CB-CD1 4.16Å; F929-L946 HydrophobicContact CD2-CD1 3.58Å; F929-L946 HydrophobicContact CE2-CD1 4.27Å; F929-L946 HydrophobicContact CG-CD1 4.06Å; F929-S949 WeakPolarHBondContact CZ-OG 3.27Å; F929-I1016 HydrophobicContact CE2-CG2 4.49Å; F929-I1016 HydrophobicContact CZ-CG2 4.49Å |
| 930 | S | 83.1 | Confident | 85 | Confident | 89 Ų | 89 | 59.6 Ų | 59.6 | 62% | 0.622 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13.3 | 177.9 | 72.1 | 0 | 0 | 0 | 0 | 113.8 | L926 L927 A928 G932 | L926-S930 PolarHBondContact O-N 3.09Å; L926-S930 VanDerWaalsContact O-N 3.09Å; L927-S930 WeakPolarHBondContact O-CB 3.37Å; L927-S930 PolarHBondContact O-N 3.4Å; L927-S930 PolarHBondContact O-OG 2.79Å; A928-S930 VanDerWaalsContact C-N 3.33Å; S930-G932 PolarHBondContact O-N 3.3Å |
| 931 | V | 74.3 | Confident | 84.3 | Confident | 85 Ų | 85 | 59.6 Ų | 59.6 | 52% | 0.515 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -72.5 | 117.8 | 175 | -175 | 0 | 0 | 0 | 0 | 109.1 | F929 T933 V934 | F929-V931 PolarHBondContact O-N 3.21Å; V931-T933 PolarHBondContact O-N 3.09Å; V931-V934 WeakPolarHBondContact O-CG2 3.34Å |
| 932 | G | 68.5 | Low | 83.8 | Confident | 57 Ų | 57 | 62.2 Ų | 62.2 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -60 | -15.8 | -167 | 0 | 0 | 0 | 0 | 0 | 117 | S930 T940 | S930-G932 PolarHBondContact O-N 3.3Å; G932-T940 WeakPolarHBondContact O-CG2 3.47Å |
| 933 | T | 74 | Confident | 83.5 | Confident | 94 Ų | 94 | 65.1 Ų | 65.1 | 58% | 0.577 | 41% | 0.405 | S | S | * | . | trans | -123.5 | 102.3 | 174.5 | 47.5 | 0 | 0 | 0 | 0 | 109.6 | V931 | V931-T933 PolarHBondContact O-N 3.09Š| ||
| 934 | V | 77 | Confident | 83.2 | Confident | 13 Ų | 13 | 63 Ų | 63 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | trans | -92.1 | -29.6 | -173.8 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | F929 V931 Q939 C1014 I1016 | F929-V934 HydrophobicContact CD1-CG1 4Å; F929-V934 HydrophobicContact CD1-CG2 4.1Å; F929-V934 HydrophobicContact CE1-CG1 3.88Å; V931-V934 WeakPolarHBondContact O-CG2 3.34Å; V934-Q939 PolarHBondContact N-O 3.36Å; V934-C1014 WeakPolarHBondContact CG1-SG 3.49Å; V934-I1016 HydrophobicContact CB-CD1 4.48Å; V934-I1016 HydrophobicContact CG1-CD1 4.07Å; V934-I1016 HydrophobicContact CG2-CD1 4.36Å | ||
| 935 | Y | 81.1 | Confident | 83.1 | Confident | 29 Ų | 29 | 61 Ų | 61 | 11% | 0.114 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -103.3 | 147.2 | -178.8 | -61.5 | -80.6 | 0 | 0 | 0 | 111.4 | N937 G938 Q939 A1010 C1014 | Y935-N937 WeakPolarHBondContact CB-OD1 3.49Å; Y935-N937 PolarHBondContact O-N 3.36Å; Y935-N937 VanDerWaalsContact O-N 3.11Å; Y935-G938 PolarHBondContact O-N 3.22Å; Y935-Q939 HydrophobicContact CD2-CB 3.76Å; Y935-Q939 WeakPolarHBondContact CD2-O 3.38Å; Y935-Q939 HydrophobicContact CG-CB 4.31Å; Y935-A1010 WeakPolarHBondContact CE1-O 3.33Å; Y935-A1010 PolarHBondContact OH-O 3.22Å; Y935-C1014 HydrophobicContact CE1-CB 3.93Å |
| 936 | A | 78.4 | Confident | 83 | Confident | 122 Ų | 122 | 61.7 Ų | 61.7 | 100% | 1.008 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G938 | A936-G938 VanDerWaalsContact C-N 3.32Š|
| 937 | N | 81.3 | Confident | 83 | Confident | 106 Ų | 106 | 59.8 Ų | 59.8 | 57% | 0.567 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 3.9 | 176.1 | 66.5 | 2.1 | 0 | 0 | 0 | 113.7 | Y935 Q939 | Y935-N937 WeakPolarHBondContact CB-OD1 3.49Å; Y935-N937 PolarHBondContact O-N 3.36Å; Y935-N937 VanDerWaalsContact O-N 3.11Å; N937-Q939 PolarHBondContact ND2-OE1 2.86Å; N937-Q939 WeakPolarHBondContact OD1-CB 3.23Å; N937-Q939 WeakPolarHBondContact OD1-CG 3.47Å; N937-Q939 PolarHBondContact OD1-N 2.76Å; N937-Q939 VanDerWaalsContact OD1-N 3.07Å |
| 938 | G | 80.2 | Confident | 83.1 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 46% | 0.464 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 81.9 | 5.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y935 A936 | Y935-G938 PolarHBondContact O-N 3.22Å; A936-G938 VanDerWaalsContact C-N 3.32Å |
| 939 | Q | 83 | Confident | 83.3 | Confident | 116 Ų | 116 | 52.7 Ų | 52.7 | 54% | 0.542 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 151.7 | 174.9 | -68.9 | 176.5 | -22.3 | 0 | 0 | 111.7 | V934 Y935 N937 | V934-Q939 PolarHBondContact N-O 3.36Å; Y935-Q939 HydrophobicContact CD2-CB 3.76Å; Y935-Q939 WeakPolarHBondContact CD2-O 3.38Å; Y935-Q939 HydrophobicContact CG-CB 4.31Å; N937-Q939 PolarHBondContact ND2-OE1 2.86Å; N937-Q939 WeakPolarHBondContact OD1-CB 3.23Å; N937-Q939 WeakPolarHBondContact OD1-CG 3.47Å; N937-Q939 PolarHBondContact OD1-N 2.76Å; N937-Q939 VanDerWaalsContact OD1-N 3.07Å |
| 940 | T | 82.8 | Confident | 83.7 | Confident | 107 Ų | 107 | 52 Ų | 52 | 66% | 0.656 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -92.1 | 155.2 | 175.3 | 61.3 | 0 | 0 | 0 | 0 | 110.7 | G932 | G932-T940 WeakPolarHBondContact O-CG2 3.47Š|
| 941 | S | 80.8 | Confident | 84.2 | Confident | 35 Ų | 35 | 47.8 Ų | 47.8 | 25% | 0.245 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 138.6 | 176 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 942 | S | 84.5 | Confident | 85.2 | Confident | 54 Ų | 54 | 43.7 Ų | 43.7 | 38% | 0.378 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 164 | 171.3 | 72.6 | 0 | 0 | 0 | 0 | 112.1 | L944 V945 L946 | S942-L944 PolarHBondContact O-N 2.99Å; S942-V945 PolarHBondContact O-N 3.21Å; S942-V945 VanDerWaalsContact O-N 3.13Å; S942-V945 WeakPolarHBondContact OG-CG2 3.25Å; S942-V945 PolarHBondContact OG-N 3.23Å; S942-L946 PolarHBondContact O-N 3.44Å; S942-L946 VanDerWaalsContact O-N 3.17Å |
| 943 | L | 87.5 | Confident | 86.5 | Confident | 63 Ų | 63 | 41 Ų | 41 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.4 | -36.3 | 172.8 | 176.5 | 62.7 | 0 | 0 | 0 | 112 | F842 Q851 L946 G947 | F842-L943 HydrophobicContact CE2-CD1 3.51Å; F842-L943 HydrophobicContact CZ-CD1 3.61Å; F842-L943 HydrophobicContact CZ-CD2 3.87Å; F842-L943 HydrophobicContact CZ-CG 4.4Å; Q851-L943 HydrophobicContact CG-CD2 4.37Å; L943-L946 PolarHBondContact O-N 3.16Å; L943-G947 PolarHBondContact O-N 2.85Å |
| 944 | L | 88.6 | Confident | 87.5 | Confident | 48 Ų | 48 | 36.6 Ų | 36.6 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.7 | -32.7 | -179.8 | -64.1 | 173.4 | 0 | 0 | 0 | 112.1 | S942 G947 N948 D1003 M1004 M1007 | S942-L944 PolarHBondContact O-N 2.99Å; L944-G947 PolarHBondContact O-N 2.68Å; L944-N948 WeakPolarHBondContact O-CB 3.2Å; L944-N948 PolarHBondContact O-N 3.01Å; L944-N948 PolarHBondContact O-ND2 3.46Å; L944-D1003 HydrophobicContact CD1-CB 4.08Å; L944-D1003 WeakPolarHBondContact CD1-O 3.26Å; L944-M1004 HydrophobicContact CB-CE 4.2Å; L944-M1004 HydrophobicContact CD1-CE 3.95Å; L944-M1004 HydrophobicContact CD2-CE 3.85Å; L944-M1004 HydrophobicContact CG-CE 4.21Å; L944-M1007 HydrophobicContact CB-CE 3.43Å; L944-M1007 VanDerWaalsContact CB-CE 3.43Å; L944-M1007 HydrophobicContact CB-SD 3.94Å; L944-M1007 HydrophobicContact CD1-CE 3.59Å; L944-M1007 HydrophobicContact CG-CE 4.16Å |
| 945 | V | 90.1 | Very high | 88.3 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.9 | -44.5 | 172.3 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | F929 S942 S949 M1007 A1010 V1011 | F929-V945 HydrophobicContact CE1-CG1 4.1Å; S942-V945 PolarHBondContact O-N 3.21Å; S942-V945 VanDerWaalsContact O-N 3.13Å; S942-V945 WeakPolarHBondContact OG-CG2 3.25Å; S942-V945 PolarHBondContact OG-N 3.23Å; V945-S949 VanDerWaalsContact O-CB 3.31Å; V945-S949 WeakPolarHBondContact O-CB 3.03Å; V945-S949 PolarHBondContact O-N 2.87Å; V945-S949 PolarHBondContact O-OG 2.97Å; V945-M1007 HydrophobicContact CG2-SD 4.18Å; V945-A1010 HydrophobicContact CG2-CB 3.93Å; V945-V1011 HydrophobicContact CG1-CG2 4.48Å |
| 946 | L | 90.9 | Very high | 89 | Confident | 16 Ų | 16 | 35 Ų | 35 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 173.3 | 175.9 | 64.8 | 0 | 0 | 0 | 110.8 | P925 L926 F929 S942 L943 S949 V950 | P925-L946 HydrophobicContact CB-CD1 4.13Å; L926-L946 HydrophobicContact CD1-CD2 3.88Å; F929-L946 HydrophobicContact CB-CD1 4.16Å; F929-L946 HydrophobicContact CD2-CD1 3.58Å; F929-L946 HydrophobicContact CE2-CD1 4.27Å; F929-L946 HydrophobicContact CG-CD1 4.06Å; S942-L946 PolarHBondContact O-N 3.44Å; S942-L946 VanDerWaalsContact O-N 3.17Å; L943-L946 PolarHBondContact O-N 3.16Å; L946-S949 WeakPolarHBondContact O-CB 3.09Å; L946-S949 PolarHBondContact O-N 3.4Å; L946-V950 HydrophobicContact CD1-CG2 4.02Å; L946-V950 HydrophobicContact CG-CG2 4.37Å; L946-V950 WeakPolarHBondContact O-CB 3.5Å; L946-V950 VanDerWaalsContact O-CG2 3.28Å; L946-V950 WeakPolarHBondContact O-CG2 3.41Å; L946-V950 PolarHBondContact O-N 3.33Å |
| 947 | G | 91.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F854 L943 L944 S949 V950 Y951 | F854-G947 WeakPolarHBondContact CD1-O 3.49Å; F854-G947 WeakPolarHBondContact CE1-O 3.22Å; L943-G947 PolarHBondContact O-N 2.85Å; L944-G947 PolarHBondContact O-N 2.68Å; G947-S949 VanDerWaalsContact C-N 3.34Å; G947-S949 PolarHBondContact O-N 3.41Å; G947-V950 PolarHBondContact O-N 2.9Å; G947-Y951 VanDerWaalsContact O-CB 3.24Å; G947-Y951 WeakPolarHBondContact O-CB 3.04Å; G947-Y951 PolarHBondContact O-N 3.15Å |
| 948 | N | 92.4 | Very high | 90.5 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.043 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.4 | -34.9 | 175.9 | -78.7 | -62.4 | 0 | 0 | 0 | 112.4 | L944 T952 L988 V1011 | L944-N948 WeakPolarHBondContact O-CB 3.2Å; L944-N948 PolarHBondContact O-N 3.01Å; L944-N948 PolarHBondContact O-ND2 3.46Å; N948-T952 WeakPolarHBondContact O-CB 3.29Å; N948-T952 PolarHBondContact O-N 2.95Å; N948-T952 PolarHBondContact O-OG1 3.5Å; N948-L988 HydrophobicContact CB-CD1 4.44Å; N948-V1011 HydrophobicContact CB-CG2 3.84Å |
| 949 | S | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.6 | -51.9 | 174.6 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | F929 V945 L946 G947 Y951 T952 Y953 | F929-S949 WeakPolarHBondContact CZ-OG 3.27Å; V945-S949 VanDerWaalsContact O-CB 3.31Å; V945-S949 WeakPolarHBondContact O-CB 3.03Å; V945-S949 PolarHBondContact O-N 2.87Å; V945-S949 PolarHBondContact O-OG 2.97Å; L946-S949 WeakPolarHBondContact O-CB 3.09Å; L946-S949 PolarHBondContact O-N 3.4Å; G947-S949 VanDerWaalsContact C-N 3.34Å; G947-S949 PolarHBondContact O-N 3.41Å; S949-Y951 VanDerWaalsContact C-N 3.33Å; S949-Y951 PolarHBondContact O-N 3.33Å; S949-T952 WeakPolarHBondContact O-CB 3.33Å; S949-T952 PolarHBondContact O-N 3.19Å; S949-Y953 WeakPolarHBondContact O-CD1 3.41Å; S949-Y953 VanDerWaalsContact O-CD2 3.26Å; S949-Y953 WeakPolarHBondContact O-CD2 3.41Å; S949-Y953 PolarHBondContact O-N 2.86Å; S949-Y953 VanDerWaalsContact O-N 3.09Å |
| 950 | V | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | I838 F854 P925 L946 G947 T952 Y953 V954 | I838-V950 HydrophobicContact CD1-CG1 4.01Å; I838-V950 HydrophobicContact CG2-CG1 4.01Å; F854-V950 HydrophobicContact CE1-CB 4.35Å; F854-V950 HydrophobicContact CE1-CG1 4.1Å; F854-V950 HydrophobicContact CZ-CG1 4.11Å; P925-V950 HydrophobicContact CB-CG2 3.72Å; P925-V950 HydrophobicContact CG-CG2 3.98Å; L946-V950 HydrophobicContact CD1-CG2 4.02Å; L946-V950 HydrophobicContact CG-CG2 4.37Å; L946-V950 WeakPolarHBondContact O-CB 3.5Å; L946-V950 VanDerWaalsContact O-CG2 3.28Å; L946-V950 WeakPolarHBondContact O-CG2 3.41Å; L946-V950 PolarHBondContact O-N 3.33Å; G947-V950 PolarHBondContact O-N 2.9Å; V950-T952 VanDerWaalsContact C-N 3.33Å; V950-T952 PolarHBondContact O-N 3.27Å; V950-Y953 PolarHBondContact O-N 3.1Å; V950-Y953 VanDerWaalsContact O-N 3.17Å; V950-V954 HydrophobicContact CG1-CG2 4.4Å; V950-V954 VanDerWaalsContact O-CG2 3.31Å; V950-V954 WeakPolarHBondContact O-CG2 3.34Å; V950-V954 PolarHBondContact O-N 3.33Å |
| 951 | Y | 94.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 14 Ų | 14 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 178.9 | -168.3 | -83.1 | 0 | 0 | 0 | 111.9 | L835 F854 S858 Y862 F866 G947 S949 Y953 V954 V955 W984 | L835-Y951 HydrophobicContact CD1-CD2 3.97Å; L835-Y951 HydrophobicContact CD1-CE2 4.16Å; L835-Y951 HydrophobicContact CD2-CE2 4.27Å; F854-Y951 HydrophobicContact CB-CD2 4.42Å; F854-Y951 AromaticContact CD1-CD2 3.65Å; F854-Y951 HydrophobicContact CD1-CD2 3.65Å; F854-Y951 HydrophobicContact CD1-CG 4.21Å; F854-Y951 HydrophobicContact CD2-CD2 4.43Å; F854-Y951 AromaticContact CE1-CD2 3.94Å; F854-Y951 HydrophobicContact CE1-CD2 3.94Å; F854-Y951 HydrophobicContact CE1-CG 4.34Å; F854-Y951 AromaticContact CG-CD2 3.91Å; F854-Y951 HydrophobicContact CG-CD2 3.91Å; F854-Y951 HydrophobicContact CZ-CD2 4.44Å; S858-Y951 PolarHBondContact O-OH 2.87Å; Y862-Y951 VanDerWaalsContact CA-OH 3.26Å; Y862-Y951 WeakPolarHBondContact CA-OH 3.38Å; Y862-Y951 WeakPolarHBondContact CB-OH 3.36Å; Y862-Y951 HydrophobicContact CD2-CE2 4.23Å; Y862-Y951 AromaticContact CD2-CZ 3.88Å; Y862-Y951 PolarHBondContact N-OH 2.92Å; F866-Y951 HydrophobicContact CD2-CE1 4.1Å; F866-Y951 VanDerWaalsContact CD2-OH 3.23Å; F866-Y951 WeakPolarHBondContact CD2-OH 3.17Å; F866-Y951 HydrophobicContact CE2-CE1 4.45Å; G947-Y951 VanDerWaalsContact O-CB 3.24Å; G947-Y951 WeakPolarHBondContact O-CB 3.04Å; G947-Y951 PolarHBondContact O-N 3.15Å; S949-Y951 VanDerWaalsContact C-N 3.33Å; S949-Y951 PolarHBondContact O-N 3.33Å; Y951-Y953 VanDerWaalsContact C-N 3.33Å; Y951-Y953 PolarHBondContact O-N 2.89Å; Y951-V954 PolarHBondContact O-N 2.98Å; Y951-V955 HydrophobicContact CD1-CG2 3.76Å; Y951-V955 HydrophobicContact CE1-CG2 3.48Å; Y951-V955 VanDerWaalsContact CE1-CG2 3.48Å; Y951-V955 WeakPolarHBondContact O-CG2 3.47Å; Y951-V955 PolarHBondContact O-N 3.33Å; Y951-W984 AromaticContact CD1-CD2 3.96Å; Y951-W984 HydrophobicContact CD1-CD2 3.96Å; Y951-W984 AromaticContact CD1-CE2 3.66Å; Y951-W984 AromaticContact CD1-CE3 3.93Å; Y951-W984 HydrophobicContact CD1-CE3 3.93Å; Y951-W984 AromaticContact CD1-CH2 3.29Å; Y951-W984 HydrophobicContact CD1-CH2 3.29Å; Y951-W984 AromaticContact CD1-CZ2 3.33Å; Y951-W984 HydrophobicContact CD1-CZ2 3.33Å; Y951-W984 AromaticContact CD1-CZ3 3.6Å; Y951-W984 HydrophobicContact CD1-CZ3 3.6Å; Y951-W984 AromaticContact CE1-CD2 3.89Å; Y951-W984 HydrophobicContact CE1-CD2 3.89Å; Y951-W984 AromaticContact CE1-CE3 3.48Å; Y951-W984 HydrophobicContact CE1-CE3 3.48Å; Y951-W984 VanDerWaalsContact CE1-CE3 3.48Å; Y951-W984 AromaticContact CE1-CH2 3.51Å; Y951-W984 HydrophobicContact CE1-CH2 3.51Å; Y951-W984 AromaticContact CE1-CZ2 3.92Å; Y951-W984 HydrophobicContact CE1-CZ2 3.92Å; Y951-W984 AromaticContact CE1-CZ3 3.27Å; Y951-W984 HydrophobicContact CE1-CZ3 3.27Å; Y951-W984 HydrophobicContact CG-CH2 4.09Å; Y951-W984 HydrophobicContact CG-CZ2 4.17Å |
| 952 | T | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.3 | -46 | 175.5 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | N948 S949 V950 V954 V955 V956 W984 F985 F1017 F1021 | N948-T952 WeakPolarHBondContact O-CB 3.29Å; N948-T952 PolarHBondContact O-N 2.95Å; N948-T952 PolarHBondContact O-OG1 3.5Å; S949-T952 WeakPolarHBondContact O-CB 3.33Å; S949-T952 PolarHBondContact O-N 3.19Å; V950-T952 VanDerWaalsContact C-N 3.33Å; V950-T952 PolarHBondContact O-N 3.27Å; T952-V954 VanDerWaalsContact C-N 3.31Å; T952-V954 PolarHBondContact O-N 3.3Å; T952-V955 PolarHBondContact O-N 3.39Å; T952-V956 HydrophobicContact CG2-CG2 4.43Å; T952-V956 VanDerWaalsContact O-CG2 3.24Å; T952-V956 WeakPolarHBondContact O-CG2 3.26Å; T952-V956 PolarHBondContact O-N 2.9Å; T952-W984 PolarHBondContact OG1-NE1 3.31Å; T952-F985 HydrophobicContact CG2-CE1 4.43Å; T952-F985 HydrophobicContact CG2-CE2 4.48Å; T952-F985 HydrophobicContact CG2-CZ 3.92Å; T952-F1017 HydrophobicContact CG2-CE2 4.01Å; T952-F1017 HydrophobicContact CG2-CZ 3.96Å; T952-F1021 HydrophobicContact CG2-CD2 4.18Å |
| 953 | Y | 95.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 0% | 0.004 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.1 | -36.9 | 178.7 | -51.9 | -28.8 | 0 | 0 | 0 | 112.1 | P925 S949 V950 Y951 T957 F1017 G1020 F1021 I1024 | P925-Y953 HydrophobicContact CB-CD2 4.37Å; P925-Y953 HydrophobicContact CB-CE2 4.04Å; P925-Y953 HydrophobicContact CG-CD2 3.57Å; P925-Y953 HydrophobicContact CG-CE2 3.65Å; S949-Y953 WeakPolarHBondContact O-CD1 3.41Å; S949-Y953 VanDerWaalsContact O-CD2 3.26Å; S949-Y953 WeakPolarHBondContact O-CD2 3.41Å; S949-Y953 PolarHBondContact O-N 2.86Å; S949-Y953 VanDerWaalsContact O-N 3.09Å; V950-Y953 PolarHBondContact O-N 3.1Å; V950-Y953 VanDerWaalsContact O-N 3.17Å; Y951-Y953 VanDerWaalsContact C-N 3.33Å; Y951-Y953 PolarHBondContact O-N 2.89Å; Y953-T957 WeakPolarHBondContact O-CB 3.33Å; Y953-T957 PolarHBondContact O-N 3.32Å; Y953-T957 PolarHBondContact O-OG1 3.38Å; Y953-F1017 HydrophobicContact CE1-CD2 4.15Å; Y953-F1017 HydrophobicContact CE1-CE2 4.21Å; Y953-F1017 WeakPolarHBondContact OH-CA 3.42Å; Y953-F1017 PolarHBondContact OH-O 3.49Å; Y953-G1020 VanDerWaalsContact CE1-C 3.48Å; Y953-F1021 HydrophobicContact CD1-CB 4.42Å; Y953-F1021 HydrophobicContact CE1-CB 3.89Å; Y953-I1024 HydrophobicContact CD2-CD1 3.84Å; Y953-I1024 HydrophobicContact CE2-CD1 3.67Å |
| 954 | V | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.4 | -51.7 | 174.6 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | L835 I838 Y862 L921 V950 Y951 T952 V956 T957 V958 | L835-V954 HydrophobicContact CB-CG1 4.3Å; L835-V954 HydrophobicContact CD1-CB 4.35Å; L835-V954 HydrophobicContact CD1-CG1 3.96Å; L835-V954 HydrophobicContact CD1-CG2 4.34Å; I838-V954 HydrophobicContact CD1-CG2 3.29Å; Y862-V954 HydrophobicContact CE2-CG1 4.29Å; L921-V954 HydrophobicContact CB-CG2 4.3Å; L921-V954 HydrophobicContact CD1-CG2 4.05Å; V950-V954 HydrophobicContact CG1-CG2 4.4Å; V950-V954 VanDerWaalsContact O-CG2 3.31Å; V950-V954 WeakPolarHBondContact O-CG2 3.34Å; V950-V954 PolarHBondContact O-N 3.33Å; Y951-V954 PolarHBondContact O-N 2.98Å; T952-V954 VanDerWaalsContact C-N 3.31Å; T952-V954 PolarHBondContact O-N 3.3Å; V954-V956 VanDerWaalsContact C-N 3.31Å; V954-V956 PolarHBondContact O-N 3.35Å; V954-T957 PolarHBondContact O-N 3.1Å; V954-V958 HydrophobicContact CG1-CG2 4.01Å; V954-V958 VanDerWaalsContact O-CB 3.25Å; V954-V958 WeakPolarHBondContact O-CB 3.45Å; V954-V958 VanDerWaalsContact O-CG2 3.27Å; V954-V958 WeakPolarHBondContact O-CG2 3.4Å; V954-V958 PolarHBondContact O-N 2.83Å |
| 955 | V | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -56.8 | -46.8 | -178.9 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | Y862 Y951 T952 C959 W984 | Y862-V955 HydrophobicContact CD2-CG2 4.27Å; Y862-V955 HydrophobicContact CE2-CG2 4.2Å; Y951-V955 HydrophobicContact CD1-CG2 3.76Å; Y951-V955 HydrophobicContact CE1-CG2 3.48Å; Y951-V955 VanDerWaalsContact CE1-CG2 3.48Å; Y951-V955 WeakPolarHBondContact O-CG2 3.47Å; Y951-V955 PolarHBondContact O-N 3.33Å; T952-V955 PolarHBondContact O-N 3.39Å; V955-C959 VanDerWaalsContact O-CB 3.31Å; V955-C959 WeakPolarHBondContact O-CB 3.43Å; V955-C959 PolarHBondContact O-N 3.49Å; V955-C959 PolarHBondContact O-SG 3.17Å; V955-W984 HydrophobicContact CG1-CB 4.15Å; V955-W984 HydrophobicContact CG1-CG 4.43Å |
| 956 | V | 95.2 | Very high | 93.7 | Very high | 9 Ų | 9 | 8.7 Ų | 8.7 | 6% | 0.055 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.3 | -49.9 | 179.1 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | T952 V954 V958 C959 L960 I981 F1021 P1025 | T952-V956 HydrophobicContact CG2-CG2 4.43Å; T952-V956 VanDerWaalsContact O-CG2 3.24Å; T952-V956 WeakPolarHBondContact O-CG2 3.26Å; T952-V956 PolarHBondContact O-N 2.9Å; V954-V956 VanDerWaalsContact C-N 3.31Å; V954-V956 PolarHBondContact O-N 3.35Å; V956-V958 VanDerWaalsContact C-N 3.34Å; V956-V958 PolarHBondContact O-N 2.95Å; V956-C959 PolarHBondContact O-N 3.49Å; V956-L960 HydrophobicContact CG1-CD1 3.74Å; V956-L960 HydrophobicContact CG1-CG 4.24Å; V956-L960 WeakPolarHBondContact O-CB 3.4Å; V956-L960 VanDerWaalsContact O-CG 3.27Å; V956-L960 WeakPolarHBondContact O-CG 3.34Å; V956-L960 PolarHBondContact O-N 2.7Å; V956-I981 HydrophobicContact CG2-CG2 4.25Å; V956-F1021 HydrophobicContact CG2-CD2 4.26Å; V956-F1021 HydrophobicContact CG2-CE2 3.65Å; V956-P1025 HydrophobicContact CB-CG 4.33Å; V956-P1025 HydrophobicContact CG1-CB 4.12Å; V956-P1025 HydrophobicContact CG1-CG 3.93Å |
| 957 | T | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | -178.5 | -57 | 0 | 0 | 0 | 0 | 111.6 | L921 Y953 V954 K961 P1025 A1028 L1029 | L921-T957 HydrophobicContact CD1-CG2 4.23Å; L921-T957 HydrophobicContact CD2-CG2 4.48Å; L921-T957 WeakPolarHBondContact CD2-OG1 3.17Å; Y953-T957 WeakPolarHBondContact O-CB 3.33Å; Y953-T957 PolarHBondContact O-N 3.32Å; Y953-T957 PolarHBondContact O-OG1 3.38Å; V954-T957 PolarHBondContact O-N 3.1Å; T957-K961 WeakPolarHBondContact O-CB 3.2Å; T957-K961 PolarHBondContact O-N 2.79Å; T957-P1025 WeakPolarHBondContact OG1-CA 3.25Å; T957-P1025 WeakPolarHBondContact OG1-CB 3.34Å; T957-A1028 HydrophobicContact CG2-CB 3.82Å; T957-L1029 HydrophobicContact CG2-CD2 4.18Å; T957-L1029 HydrophobicContact CG2-CG 4.28Å |
| 958 | V | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -67 | -45 | 177.9 | 166.3 | 0 | 0 | 0 | 0 | 111 | Y827 Y830 K831 T867 V954 V956 K961 A962 | Y827-V958 HydrophobicContact CE2-CG1 4.34Å; Y827-V958 WeakPolarHBondContact OH-CG1 3.46Å; Y827-V958 PolarHBondContact OH-O 3.41Å; Y830-V958 HydrophobicContact CE1-CG2 4.28Å; K831-V958 HydrophobicContact CB-CG1 3.62Å; T867-V958 HydrophobicContact CG2-CG1 4.27Å; V954-V958 HydrophobicContact CG1-CG2 4.01Å; V954-V958 VanDerWaalsContact O-CB 3.25Å; V954-V958 WeakPolarHBondContact O-CB 3.45Å; V954-V958 VanDerWaalsContact O-CG2 3.27Å; V954-V958 WeakPolarHBondContact O-CG2 3.4Å; V954-V958 PolarHBondContact O-N 2.83Å; V956-V958 VanDerWaalsContact C-N 3.34Å; V956-V958 PolarHBondContact O-N 2.95Å; V958-K961 WeakPolarHBondContact O-CB 3.45Å; V958-K961 PolarHBondContact O-N 3.24Å; V958-A962 PolarHBondContact O-N 2.84Å |
| 959 | C | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.9 | -43.3 | 177.6 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | V955 V956 K961 A962 G963 I977 I981 | V955-C959 VanDerWaalsContact O-CB 3.31Å; V955-C959 WeakPolarHBondContact O-CB 3.43Å; V955-C959 PolarHBondContact O-N 3.49Å; V955-C959 PolarHBondContact O-SG 3.17Å; V956-C959 PolarHBondContact O-N 3.49Å; C959-K961 VanDerWaalsContact C-N 3.34Å; C959-A962 VanDerWaalsContact O-CB 3.27Å; C959-A962 WeakPolarHBondContact O-CB 3.39Å; C959-A962 PolarHBondContact O-N 3.2Å; C959-G963 PolarHBondContact O-N 2.97Å; C959-I977 HydrophobicContact CB-CG2 4.21Å; C959-I981 HydrophobicContact CB-CD1 3.88Å; C959-I981 HydrophobicContact CB-CG1 3.8Å |
| 960 | L | 94.7 | Very high | 93 | Very high | 49 Ų | 49 | 17.8 Ų | 17.8 | 26% | 0.257 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -65.6 | -37.4 | 174.9 | -69.9 | 178.2 | 0 | 0 | 0 | 111.7 | V956 A962 G963 L964 W978 P1025 L1029 | V956-L960 HydrophobicContact CG1-CD1 3.74Å; V956-L960 HydrophobicContact CG1-CG 4.24Å; V956-L960 WeakPolarHBondContact O-CB 3.4Å; V956-L960 VanDerWaalsContact O-CG 3.27Å; V956-L960 WeakPolarHBondContact O-CG 3.34Å; V956-L960 PolarHBondContact O-N 2.7Å; L960-A962 VanDerWaalsContact C-N 3.32Å; L960-A962 PolarHBondContact O-N 3.06Å; L960-G963 CarbonylContact O-C 3.58Å; L960-G963 WeakPolarHBondContact O-CA 3.18Å; L960-G963 PolarHBondContact O-N 3.08Å; L960-G963 VanDerWaalsContact O-N 3.11Å; L960-L964 PolarHBondContact O-N 2.99Å; L960-W978 HydrophobicContact CD2-CH2 3.94Å; L960-W978 HydrophobicContact CD2-CZ3 4.14Å; L960-P1025 HydrophobicContact CD1-CB 4.41Å; L960-L1029 HydrophobicContact CB-CD1 3.49Å; L960-L1029 VanDerWaalsContact CB-CD1 3.49Å; L960-L1029 HydrophobicContact CD1-CD1 3.83Å; L960-L1029 HydrophobicContact CG-CD1 4.33Å |
| 961 | K | 94.8 | Very high | 92.9 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | 171 | 176.4 | 57.5 | 172.8 | 178.3 | 0 | 111.5 | Y830 T957 V958 C959 G963 L964 E965 L1029 D1032 | Y830-K961 HydrophobicContact CD1-CG 4.46Å; Y830-K961 HydrophobicContact CE1-CB 4.24Å; Y830-K961 HydrophobicContact CE1-CG 3.68Å; T957-K961 WeakPolarHBondContact O-CB 3.2Å; T957-K961 PolarHBondContact O-N 2.79Å; V958-K961 WeakPolarHBondContact O-CB 3.45Å; V958-K961 PolarHBondContact O-N 3.24Å; C959-K961 VanDerWaalsContact C-N 3.34Å; K961-G963 VanDerWaalsContact C-N 3.31Å; K961-G963 PolarHBondContact O-N 3.23Å; K961-L964 PolarHBondContact O-N 3.44Å; K961-E965 HydrophobicContact CD-CG 4.35Å; K961-E965 WeakPolarHBondContact CE-OE1 3.49Å; K961-E965 IonicContact NZ-OE1 3.44Å; K961-E965 PolarHBondContact NZ-OE1 2.69Å; K961-E965 WeakPolarHBondContact O-CG 3.25Å; K961-E965 PolarHBondContact O-N 3.21Å; K961-L1029 HydrophobicContact CB-CD2 3.92Å; K961-D1032 VanDerWaalsContact CD-OD2 3.26Å; K961-D1032 WeakPolarHBondContact CD-OD2 3.39Å; K961-D1032 WeakPolarHBondContact CE-OD2 3.43Å; K961-D1032 VanDerWaalsContact NZ-CG 3.3Å; K961-D1032 IonicContact NZ-OD1 3.59Å; K961-D1032 IonicContact NZ-OD2 3.17Å; K961-D1032 PolarHBondContact NZ-OD2 2.9Å |
| 962 | A | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.2 | -46.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | Y827 P870 V958 C959 L960 L964 E965 H966 | Y827-A962 HydrophobicContact CD2-CB 4.38Å; Y827-A962 HydrophobicContact CE1-CB 4.21Å; Y827-A962 HydrophobicContact CE2-CB 3.53Å; Y827-A962 VanDerWaalsContact CZ-CB 3.42Å; Y827-A962 VanDerWaalsContact OH-CB 3.27Å; Y827-A962 WeakPolarHBondContact OH-CB 3.46Å; P870-A962 HydrophobicContact CB-CB 3.72Å; V958-A962 PolarHBondContact O-N 2.84Å; C959-A962 VanDerWaalsContact O-CB 3.27Å; C959-A962 WeakPolarHBondContact O-CB 3.39Å; C959-A962 PolarHBondContact O-N 3.2Å; L960-A962 VanDerWaalsContact C-N 3.32Å; L960-A962 PolarHBondContact O-N 3.06Å; A962-L964 VanDerWaalsContact C-N 3.33Å; A962-L964 PolarHBondContact O-N 3.23Å; A962-E965 PolarHBondContact O-N 3.28Å; A962-H966 PolarHBondContact O-CD2 3.27Å; A962-H966 PolarHBondContact O-N 2.91Å; A962-H966 VanDerWaalsContact O-N 3.14Å |
| 963 | G | 92.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.2 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | C959 L960 K961 E965 H966 W969 I977 | C959-G963 PolarHBondContact O-N 2.97Å; L960-G963 CarbonylContact O-C 3.58Å; L960-G963 WeakPolarHBondContact O-CA 3.18Å; L960-G963 PolarHBondContact O-N 3.08Å; L960-G963 VanDerWaalsContact O-N 3.11Å; K961-G963 VanDerWaalsContact C-N 3.31Å; K961-G963 PolarHBondContact O-N 3.23Å; G963-E965 PolarHBondContact O-N 2.75Å; G963-H966 PolarHBondContact O-N 3.37Å; G963-W969 VanDerWaalsContact C-CZ2 3.43Å; G963-W969 WeakPolarHBondContact O-CZ2 3.05Å; G963-I977 VanDerWaalsContact CA-CD1 3.48Å |
| 964 | L | 92.6 | Very high | 92.4 | Very high | 52 Ų | 52 | 32.3 Ų | 32.3 | 27% | 0.272 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61 | -29.1 | 175.8 | -70.2 | 179.3 | 0 | 0 | 0 | 112.6 | L960 K961 A962 L1029 D1032 I1033 K1036 | L960-L964 PolarHBondContact O-N 2.99Å; K961-L964 PolarHBondContact O-N 3.44Å; A962-L964 VanDerWaalsContact C-N 3.33Å; A962-L964 PolarHBondContact O-N 3.23Å; L964-L1029 HydrophobicContact CD1-CB 4.32Å; L964-L1029 HydrophobicContact CD1-CD2 3.88Å; L964-D1032 HydrophobicContact CD1-CB 4.41Å; L964-I1033 HydrophobicContact CD1-CG1 3.87Å; L964-I1033 HydrophobicContact CD2-CD1 4.41Å; L964-I1033 HydrophobicContact CD2-CG1 3.94Å; L964-K1036 PolarHBondContact O-NZ 2.95Å |
| 965 | E | 91.2 | Very high | 92.4 | Very high | 31 Ų | 31 | 37.2 Ų | 37.2 | 15% | 0.145 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -91.3 | -17.1 | -175.3 | -60.1 | -64.6 | 171.6 | 0 | 0 | 114.8 | K823 L874 W910 K961 A962 G963 T967 K1036 | K823-E965 PolarHBondContact NZ-O 3.24Å; L874-E965 HydrophobicContact CD1-CB 4.25Å; W910-E965 HydrophobicContact CH2-CG 3.78Å; K961-E965 HydrophobicContact CD-CG 4.35Å; K961-E965 WeakPolarHBondContact CE-OE1 3.49Å; K961-E965 IonicContact NZ-OE1 3.44Å; K961-E965 PolarHBondContact NZ-OE1 2.69Å; K961-E965 WeakPolarHBondContact O-CG 3.25Å; K961-E965 PolarHBondContact O-N 3.21Å; A962-E965 PolarHBondContact O-N 3.28Å; G963-E965 PolarHBondContact O-N 2.75Å; E965-T967 PolarHBondContact O-N 3.25Å; E965-K1036 IonicContact OE2-NZ 3.07Å; E965-K1036 PolarHBondContact OE2-NZ 3.44Å |
| 966 | H | 90.6 | Very high | 92.3 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | trans | -59 | 127.8 | 166.1 | -90.4 | -89 | 0 | 0 | 0 | 110.6 | A962 G963 A968 | A962-H966 PolarHBondContact O-CD2 3.27Å; A962-H966 PolarHBondContact O-N 2.91Å; A962-H966 VanDerWaalsContact O-N 3.14Å; G963-H966 PolarHBondContact O-N 3.37Å; H966-A968 PolarHBondContact ND1-O 3.36Å | ||
| 967 | T | 87 | Confident | 92.3 | Very high | 35 Ų | 35 | 37.4 Ų | 37.4 | 22% | 0.215 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -86.6 | -39.8 | 170.6 | 29.9 | 0 | 0 | 0 | 0 | 111.2 | K823 D878 R879 E965 M1051 | K823-T967 PolarHBondContact NZ-OG1 3.05Å; D878-T967 WeakPolarHBondContact OD1-CA 3.44Å; D878-T967 WeakPolarHBondContact OD1-CB 3.37Å; D878-T967 PolarHBondContact OD1-N 2.98Å; D878-T967 PolarHBondContact OD1-OG1 2.76Å; D878-T967 PolarHBondContact OD2-OG1 3.26Å; D878-T967 VanDerWaalsContact OD2-OG1 3.05Å; R879-T967 WeakPolarHBondContact O-CB 3.36Å; R879-T967 PolarHBondContact O-OG1 3.04Å; R879-T967 VanDerWaalsContact O-OG1 3.09Å; E965-T967 PolarHBondContact O-N 3.25Å; T967-M1051 HydrophobicContact CG2-SD 4.09Å |
| 968 | A | 85.8 | Confident | 92.3 | Very high | 26 Ų | 26 | 44 Ų | 44 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -112 | 123.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D878 R879 H966 | D878-A968 PolarHBondContact OD1-N 3.46Å; D878-A968 VanDerWaalsContact OD1-N 3.1Å; R879-A968 HydrophobicContact CB-CB 3.98Å; H966-A968 PolarHBondContact ND1-O 3.36Å |
| 969 | W | 89.3 | Confident | 92.2 | Very high | 119 Ų | 119 | 45.5 Ų | 45.5 | 45% | 0.451 | 22% | 0.221 | S | C | . | . | trans | -89.6 | 110.8 | 172.1 | -73.7 | 75.7 | 0 | 0 | 0 | 109.1 | G963 H974 I977 | G963-W969 VanDerWaalsContact C-CZ2 3.43Å; G963-W969 WeakPolarHBondContact O-CZ2 3.05Å; W969-H974 AromaticContact CE3-CE1 3.21Å; W969-H974 AromaticContact CE3-ND1 3.52Å; W969-H974 AromaticContact CE3-NE2 3.67Å; W969-H974 AromaticContact CZ3-CE1 3.67Å; W969-H974 AromaticContact CZ3-ND1 3.67Å; W969-I977 HydrophobicContact CE3-CD1 4.38Å; W969-I977 HydrophobicContact CH2-CD1 3.87Å; W969-I977 HydrophobicContact CZ3-CD1 3.67Å | ||
| 970 | T | 90.4 | Very high | 92.2 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | trans | -103.6 | 162.8 | 173.2 | 61.5 | 0 | 0 | 0 | 0 | 109.7 | F877 L972 S973 H974 | F877-T970 HydrophobicContact CB-CG2 4.38Å; T970-L972 PolarHBondContact O-N 3.5Å; T970-S973 PolarHBondContact N-OG 2.87Å; T970-S973 PolarHBondContact O-N 3.49Å; T970-S973 VanDerWaalsContact O-N 3.09Å; T970-S973 PolarHBondContact O-OG 3.45Å; T970-S973 PolarHBondContact OG1-N 3.23Å; T970-S973 VanDerWaalsContact OG1-N 3.15Å; T970-S973 PolarHBondContact OG1-OG 3.33Å; T970-H974 PolarHBondContact O-CD2 3.21Å; T970-H974 VanDerWaalsContact O-CD2 3.22Å; T970-H974 PolarHBondContact O-N 3Å | ||
| 971 | W | 93.1 | Very high | 92.2 | Very high | 184 Ų | 184 | 44.2 Ų | 44.2 | 70% | 0.697 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -59 | -30.8 | 174.1 | 74.3 | -94.4 | 0 | 0 | 0 | 111.9 | H974 L975 | W971-H974 WeakPolarHBondContact O-CB 3.31Å; W971-H974 PolarHBondContact O-N 2.99Å; W971-L975 HydrophobicContact CZ3-CD2 4.03Å; W971-L975 WeakPolarHBondContact O-CB 3.26Å; W971-L975 PolarHBondContact O-N 2.77Å |
| 972 | L | 91 | Very high | 92.2 | Very high | 48 Ų | 48 | 45.7 Ų | 45.7 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.1 | -38 | 174.7 | -72.7 | 166 | 0 | 0 | 0 | 112.8 | F877 T970 H974 L975 A976 | F877-L972 HydrophobicContact CD1-CD1 3.98Å; F877-L972 HydrophobicContact CD2-CB 3.76Å; F877-L972 HydrophobicContact CD2-CD1 4.1Å; F877-L972 HydrophobicContact CE1-CD1 3.6Å; F877-L972 HydrophobicContact CE2-CB 3.88Å; F877-L972 HydrophobicContact CE2-CD1 3.73Å; F877-L972 HydrophobicContact CE2-CG 4.29Å; F877-L972 HydrophobicContact CG-CB 4.3Å; F877-L972 HydrophobicContact CG-CD1 4.23Å; F877-L972 HydrophobicContact CZ-CD1 3.49Å; F877-L972 VanDerWaalsContact CZ-CD1 3.49Å; F877-L972 HydrophobicContact CZ-CG 4.47Å; T970-L972 PolarHBondContact O-N 3.5Å; L972-H974 VanDerWaalsContact C-N 3.34Å; L972-L975 PolarHBondContact O-N 2.91Å; L972-A976 WeakPolarHBondContact O-CB 3.39Å; L972-A976 PolarHBondContact O-N 3.27Å |
| 973 | S | 90.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.3 | -36.5 | 172.8 | 60.1 | 0 | 0 | 0 | 0 | 111.5 | T970 A976 I977 | T970-S973 PolarHBondContact N-OG 2.87Å; T970-S973 PolarHBondContact O-N 3.49Å; T970-S973 VanDerWaalsContact O-N 3.09Å; T970-S973 PolarHBondContact O-OG 3.45Å; T970-S973 PolarHBondContact OG1-N 3.23Å; T970-S973 VanDerWaalsContact OG1-N 3.15Å; T970-S973 PolarHBondContact OG1-OG 3.33Å; S973-A976 PolarHBondContact O-N 2.98Å; S973-I977 WeakPolarHBondContact O-CB 3.45Å; S973-I977 WeakPolarHBondContact O-CD1 3.36Å; S973-I977 VanDerWaalsContact O-CG1 3.27Å; S973-I977 WeakPolarHBondContact O-CG1 3.5Å; S973-I977 PolarHBondContact O-N 3.25Å |
| 974 | H | 92.8 | Very high | 92.3 | Very high | 75 Ų | 75 | 47.8 Ų | 47.8 | 35% | 0.347 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61 | -47.6 | 171.5 | -77.8 | -66 | 0 | 0 | 0 | 111.7 | W969 T970 W971 L972 A976 I977 W978 | W969-H974 AromaticContact CE3-CE1 3.21Å; W969-H974 AromaticContact CE3-ND1 3.52Å; W969-H974 AromaticContact CE3-NE2 3.67Å; W969-H974 AromaticContact CZ3-CE1 3.67Å; W969-H974 AromaticContact CZ3-ND1 3.67Å; T970-H974 PolarHBondContact O-CD2 3.21Å; T970-H974 VanDerWaalsContact O-CD2 3.22Å; T970-H974 PolarHBondContact O-N 3Å; W971-H974 WeakPolarHBondContact O-CB 3.31Å; W971-H974 PolarHBondContact O-N 2.99Å; L972-H974 VanDerWaalsContact C-N 3.34Å; H974-A976 VanDerWaalsContact C-N 3.32Å; H974-A976 PolarHBondContact O-N 3.36Å; H974-I977 PolarHBondContact O-N 2.99Å; H974-W978 AromaticContact ND1-CD1 3.81Å; H974-W978 AromaticContact ND1-NE1 3.4Å; H974-W978 PolarHBondContact ND1-NE1 3.46Å; H974-W978 WeakPolarHBondContact O-CB 3.31Å; H974-W978 PolarHBondContact O-N 2.84Å |
| 975 | L | 94.2 | Very high | 92.3 | Very high | 104 Ų | 104 | 47.1 Ų | 47.1 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.1 | -42.5 | 176.4 | -178.9 | 63.6 | 0 | 0 | 0 | 111.5 | W971 L972 G979 | W971-L975 HydrophobicContact CZ3-CD2 4.03Å; W971-L975 WeakPolarHBondContact O-CB 3.26Å; W971-L975 PolarHBondContact O-N 2.77Å; L972-L975 PolarHBondContact O-N 2.91Å; L975-G979 WeakPolarHBondContact O-CA 3.47Å; L975-G979 PolarHBondContact O-N 3.22Å |
| 976 | A | 93.7 | Very high | 92.4 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.4 | -43 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A869 A873 L972 S973 H974 S980 | A869-A976 HydrophobicContact CB-CB 3.98Å; A873-A976 HydrophobicContact CB-CB 3.54Å; L972-A976 WeakPolarHBondContact O-CB 3.39Å; L972-A976 PolarHBondContact O-N 3.27Å; S973-A976 PolarHBondContact O-N 2.98Å; H974-A976 VanDerWaalsContact C-N 3.32Å; H974-A976 PolarHBondContact O-N 3.36Å; A976-S980 WeakPolarHBondContact O-CB 3.39Å; A976-S980 PolarHBondContact O-N 3.46Å; A976-S980 PolarHBondContact O-OG 3.23Å; A976-S980 VanDerWaalsContact O-OG 3.1Å |
| 977 | I | 93.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -75.5 | -56.2 | -177.8 | -64.5 | 162.9 | 0 | 0 | 0 | 110.7 | C959 G963 W969 S973 H974 S980 I981 | C959-I977 HydrophobicContact CB-CG2 4.21Å; G963-I977 VanDerWaalsContact CA-CD1 3.48Å; W969-I977 HydrophobicContact CE3-CD1 4.38Å; W969-I977 HydrophobicContact CH2-CD1 3.87Å; W969-I977 HydrophobicContact CZ3-CD1 3.67Å; S973-I977 WeakPolarHBondContact O-CB 3.45Å; S973-I977 WeakPolarHBondContact O-CD1 3.36Å; S973-I977 VanDerWaalsContact O-CG1 3.27Å; S973-I977 WeakPolarHBondContact O-CG1 3.5Å; S973-I977 PolarHBondContact O-N 3.25Å; H974-I977 PolarHBondContact O-N 2.99Å; I977-S980 PolarHBondContact O-N 3.04Å; I977-I981 HydrophobicContact CG2-CD1 4.49Å; I977-I981 WeakPolarHBondContact O-CG1 3.22Å; I977-I981 PolarHBondContact O-N 2.84Å |
| 978 | W | 95.5 | Very high | 92.6 | Very high | 138 Ų | 138 | 50.6 Ų | 50.6 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73.2 | -35.1 | -176.4 | -58.8 | 124.1 | 0 | 0 | 0 | 112.1 | L960 H974 I981 G982 | L960-W978 HydrophobicContact CD2-CH2 3.94Å; L960-W978 HydrophobicContact CD2-CZ3 4.14Å; H974-W978 AromaticContact ND1-CD1 3.81Å; H974-W978 AromaticContact ND1-NE1 3.4Å; H974-W978 PolarHBondContact ND1-NE1 3.46Å; H974-W978 WeakPolarHBondContact O-CB 3.31Å; H974-W978 PolarHBondContact O-N 2.84Å; W978-I981 HydrophobicContact CE3-CD1 3.92Å; W978-I981 HydrophobicContact CZ3-CD1 4.09Å; W978-I981 PolarHBondContact O-N 3.42Å; W978-G982 PolarHBondContact O-N 3.21Å |
| 979 | G | 94.5 | Very high | 92.9 | Very high | 33 Ų | 33 | 52.2 Ų | 52.2 | 34% | 0.34 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L975 G982 C983 | L975-G979 WeakPolarHBondContact O-CA 3.47Å; L975-G979 PolarHBondContact O-N 3.22Å; G979-G982 PolarHBondContact O-N 3.27Å; G979-C983 WeakPolarHBondContact O-CB 3.18Å; G979-C983 PolarHBondContact O-N 3.42Å |
| 980 | S | 94.7 | Very high | 93 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 171.8 | -92.9 | 0 | 0 | 0 | 0 | 112.6 | F866 P870 A976 I977 C983 W984 | F866-S980 WeakPolarHBondContact O-CB 2.84Å; F866-S980 PolarHBondContact O-OG 3.47Å; P870-S980 WeakPolarHBondContact CD-OG 3.37Å; A976-S980 WeakPolarHBondContact O-CB 3.39Å; A976-S980 PolarHBondContact O-N 3.46Å; A976-S980 PolarHBondContact O-OG 3.23Å; A976-S980 VanDerWaalsContact O-OG 3.1Å; I977-S980 PolarHBondContact O-N 3.04Å; S980-C983 PolarHBondContact O-N 3.23Å; S980-W984 PolarHBondContact O-N 2.87Å |
| 981 | I | 94.5 | Very high | 92.9 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -49.6 | 177.4 | -65 | 168.7 | 0 | 0 | 0 | 110 | V956 C959 I977 W978 C983 W984 F985 | V956-I981 HydrophobicContact CG2-CG2 4.25Å; C959-I981 HydrophobicContact CB-CD1 3.88Å; C959-I981 HydrophobicContact CB-CG1 3.8Å; I977-I981 HydrophobicContact CG2-CD1 4.49Å; I977-I981 WeakPolarHBondContact O-CG1 3.22Å; I977-I981 PolarHBondContact O-N 2.84Å; W978-I981 HydrophobicContact CE3-CD1 3.92Å; W978-I981 HydrophobicContact CZ3-CD1 4.09Å; W978-I981 PolarHBondContact O-N 3.42Å; I981-C983 VanDerWaalsContact C-N 3.3Å; I981-C983 PolarHBondContact O-N 2.87Å; I981-W984 WeakPolarHBondContact O-CB 3.44Å; I981-W984 PolarHBondContact O-N 3.4Å; I981-F985 HydrophobicContact CG2-CD2 4.04Å; I981-F985 HydrophobicContact CG2-CE2 3.86Å; I981-F985 WeakPolarHBondContact O-CD2 3.38Å; I981-F985 PolarHBondContact O-N 2.98Å |
| 982 | G | 94.8 | Very high | 92.6 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 40% | 0.402 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.1 | -36.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | W978 G979 W984 F985 L986 | W978-G982 PolarHBondContact O-N 3.21Å; G979-G982 PolarHBondContact O-N 3.27Å; G982-W984 VanDerWaalsContact C-N 3.33Å; G982-W984 PolarHBondContact O-N 3.21Å; G982-F985 PolarHBondContact O-N 3.22Å; G982-L986 WeakPolarHBondContact O-CB 2.9Å; G982-L986 PolarHBondContact O-N 2.9Å |
| 983 | C | 93.4 | Very high | 92.4 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 30% | 0.297 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.8 | -37.1 | 176.6 | -175 | 0 | 0 | 0 | 0 | 112.1 | I865 G979 S980 I981 L986 F987 | I865-C983 WeakPolarHBondContact CG2-SG 3.49Å; G979-C983 WeakPolarHBondContact O-CB 3.18Å; G979-C983 PolarHBondContact O-N 3.42Å; S980-C983 PolarHBondContact O-N 3.23Å; I981-C983 VanDerWaalsContact C-N 3.3Å; I981-C983 PolarHBondContact O-N 2.87Å; C983-L986 PolarHBondContact O-N 3.26Å; C983-F987 VanDerWaalsContact O-CB 3.3Å; C983-F987 WeakPolarHBondContact O-CB 3.5Å; C983-F987 PolarHBondContact O-N 3.19Å |
| 984 | W | 94 | Very high | 92.2 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -47.2 | 173.5 | 170 | -110.1 | 0 | 0 | 0 | 112.2 | F866 Y951 T952 V955 S980 I981 G982 L986 F987 L988 | F866-W984 HydrophobicContact CD1-CB 4.17Å; F866-W984 HydrophobicContact CD1-CE3 4.28Å; F866-W984 AromaticContact CD2-CE3 3.82Å; F866-W984 HydrophobicContact CD2-CE3 3.82Å; F866-W984 HydrophobicContact CD2-CZ3 4.28Å; F866-W984 HydrophobicContact CE1-CE3 4.05Å; F866-W984 AromaticContact CE2-CE3 3.55Å; F866-W984 HydrophobicContact CE2-CE3 3.55Å; F866-W984 AromaticContact CE2-CZ3 3.72Å; F866-W984 HydrophobicContact CE2-CZ3 3.72Å; F866-W984 HydrophobicContact CG-CB 4.5Å; F866-W984 HydrophobicContact CG-CE3 4.2Å; F866-W984 AromaticContact CZ-CE3 3.69Å; F866-W984 HydrophobicContact CZ-CE3 3.69Å; F866-W984 HydrophobicContact CZ-CZ3 4.05Å; Y951-W984 AromaticContact CD1-CD2 3.96Å; Y951-W984 HydrophobicContact CD1-CD2 3.96Å; Y951-W984 AromaticContact CD1-CE2 3.66Å; Y951-W984 AromaticContact CD1-CE3 3.93Å; Y951-W984 HydrophobicContact CD1-CE3 3.93Å; Y951-W984 AromaticContact CD1-CH2 3.29Å; Y951-W984 HydrophobicContact CD1-CH2 3.29Å; Y951-W984 AromaticContact CD1-CZ2 3.33Å; Y951-W984 HydrophobicContact CD1-CZ2 3.33Å; Y951-W984 AromaticContact CD1-CZ3 3.6Å; Y951-W984 HydrophobicContact CD1-CZ3 3.6Å; Y951-W984 AromaticContact CE1-CD2 3.89Å; Y951-W984 HydrophobicContact CE1-CD2 3.89Å; Y951-W984 AromaticContact CE1-CE3 3.48Å; Y951-W984 HydrophobicContact CE1-CE3 3.48Å; Y951-W984 VanDerWaalsContact CE1-CE3 3.48Å; Y951-W984 AromaticContact CE1-CH2 3.51Å; Y951-W984 HydrophobicContact CE1-CH2 3.51Å; Y951-W984 AromaticContact CE1-CZ2 3.92Å; Y951-W984 HydrophobicContact CE1-CZ2 3.92Å; Y951-W984 AromaticContact CE1-CZ3 3.27Å; Y951-W984 HydrophobicContact CE1-CZ3 3.27Å; Y951-W984 HydrophobicContact CG-CH2 4.09Å; Y951-W984 HydrophobicContact CG-CZ2 4.17Å; T952-W984 PolarHBondContact OG1-NE1 3.31Å; V955-W984 HydrophobicContact CG1-CB 4.15Å; V955-W984 HydrophobicContact CG1-CG 4.43Å; S980-W984 PolarHBondContact O-N 2.87Å; I981-W984 WeakPolarHBondContact O-CB 3.44Å; I981-W984 PolarHBondContact O-N 3.4Å; G982-W984 VanDerWaalsContact C-N 3.33Å; G982-W984 PolarHBondContact O-N 3.21Å; W984-L986 VanDerWaalsContact C-N 3.32Å; W984-L986 PolarHBondContact O-N 3.45Å; W984-F987 HydrophobicContact CE3-CD1 4.05Å; W984-F987 AromaticContact CZ3-CD1 3.7Å; W984-F987 HydrophobicContact CZ3-CD1 3.7Å; W984-F987 HydrophobicContact CZ3-CE1 4.11Å; W984-F987 WeakPolarHBondContact O-CB 2.99Å; W984-F987 PolarHBondContact O-N 3.34Å; W984-L988 HydrophobicContact CH2-CD1 4.43Å; W984-L988 HydrophobicContact CZ2-CD1 4.23Å; W984-L988 PolarHBondContact O-N 3.47Å |
| 985 | F | 93.5 | Very high | 91.5 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 17% | 0.171 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 176.7 | -79.3 | -79.7 | 0 | 0 | 0 | 112.2 | T952 I981 G982 L988 T989 Y1012 F1017 W1018 F1021 | T952-F985 HydrophobicContact CG2-CE1 4.43Å; T952-F985 HydrophobicContact CG2-CE2 4.48Å; T952-F985 HydrophobicContact CG2-CZ 3.92Å; I981-F985 HydrophobicContact CG2-CD2 4.04Å; I981-F985 HydrophobicContact CG2-CE2 3.86Å; I981-F985 WeakPolarHBondContact O-CD2 3.38Å; I981-F985 PolarHBondContact O-N 2.98Å; G982-F985 PolarHBondContact O-N 3.22Å; F985-L988 PolarHBondContact O-N 2.94Å; F985-T989 WeakPolarHBondContact O-CB 3.42Å; F985-T989 PolarHBondContact O-N 3.41Å; F985-T989 VanDerWaalsContact O-N 3.08Å; F985-T989 PolarHBondContact O-OG1 3.11Å; F985-Y1012 AromaticContact CD1-CE1 3.77Å; F985-Y1012 HydrophobicContact CD1-CE1 3.77Å; F985-Y1012 AromaticContact CD1-CZ 3.97Å; F985-Y1012 WeakPolarHBondContact CD1-OH 3.16Å; F985-Y1012 AromaticContact CE1-CE1 3.96Å; F985-Y1012 HydrophobicContact CE1-CE1 3.96Å; F985-Y1012 PolarHBondContact O-OH 3.43Å; F985-F1017 HydrophobicContact CE1-CZ 4.35Å; F985-W1018 HydrophobicContact CE1-CH2 4.37Å; F985-F1021 AromaticContact CE2-CE2 3.85Å; F985-F1021 HydrophobicContact CE2-CE2 3.85Å; F985-F1021 HydrophobicContact CE2-CZ 4.27Å; F985-F1021 HydrophobicContact CZ-CD2 4.04Å; F985-F1021 AromaticContact CZ-CE2 3.47Å; F985-F1021 HydrophobicContact CZ-CE2 3.47Å; F985-F1021 VanDerWaalsContact CZ-CE2 3.47Å; F985-F1021 HydrophobicContact CZ-CZ 4.01Å |
| 986 | L | 93.4 | Very high | 90.6 | Very high | 104 Ų | 104 | 47.4 Ų | 47.4 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.5 | -174.2 | 66.4 | 0 | 0 | 0 | 111.1 | G982 C983 W984 T989 I990 | G982-L986 WeakPolarHBondContact O-CB 2.9Å; G982-L986 PolarHBondContact O-N 2.9Å; C983-L986 PolarHBondContact O-N 3.26Å; W984-L986 VanDerWaalsContact C-N 3.32Å; W984-L986 PolarHBondContact O-N 3.45Å; L986-T989 PolarHBondContact O-N 2.72Å; L986-I990 HydrophobicContact CD1-CD1 3.71Å; L986-I990 HydrophobicContact CD1-CG1 4.31Å; L986-I990 HydrophobicContact CD2-CD1 4.42Å; L986-I990 HydrophobicContact CG-CD1 3.75Å; L986-I990 WeakPolarHBondContact O-CG1 3.27Å; L986-I990 PolarHBondContact O-N 2.98Å |
| 987 | F | 91.7 | Very high | 90.1 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 16% | 0.158 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 176.8 | 178.5 | -97.2 | 0 | 0 | 0 | 111.8 | L861 F866 C983 W984 T989 I990 Y991 | L861-F987 HydrophobicContact CD1-CD2 4.31Å; L861-F987 HydrophobicContact CD1-CE2 3.47Å; L861-F987 VanDerWaalsContact CD1-CE2 3.47Å; L861-F987 HydrophobicContact CD1-CZ 3.6Å; F866-F987 HydrophobicContact CE1-CB 3.72Å; F866-F987 HydrophobicContact CE1-CD1 4.34Å; F866-F987 HydrophobicContact CE1-CD2 4.44Å; F866-F987 AromaticContact CE1-CG 3.93Å; F866-F987 HydrophobicContact CE1-CG 3.93Å; F866-F987 HydrophobicContact CE2-CD1 4.3Å; F866-F987 HydrophobicContact CZ-CB 3.8Å; F866-F987 AromaticContact CZ-CD1 3.55Å; F866-F987 HydrophobicContact CZ-CD1 3.55Å; F866-F987 AromaticContact CZ-CD2 3.94Å; F866-F987 HydrophobicContact CZ-CD2 3.94Å; F866-F987 HydrophobicContact CZ-CE1 4.07Å; F866-F987 HydrophobicContact CZ-CE2 4.42Å; F866-F987 AromaticContact CZ-CG 3.48Å; F866-F987 HydrophobicContact CZ-CG 3.48Å; F866-F987 VanDerWaalsContact CZ-CG 3.48Å; F866-F987 HydrophobicContact CZ-CZ 4.47Å; C983-F987 VanDerWaalsContact O-CB 3.3Å; C983-F987 WeakPolarHBondContact O-CB 3.5Å; C983-F987 PolarHBondContact O-N 3.19Å; W984-F987 HydrophobicContact CE3-CD1 4.05Å; W984-F987 AromaticContact CZ3-CD1 3.7Å; W984-F987 HydrophobicContact CZ3-CD1 3.7Å; W984-F987 HydrophobicContact CZ3-CE1 4.11Å; W984-F987 WeakPolarHBondContact O-CB 2.99Å; W984-F987 PolarHBondContact O-N 3.34Å; F987-T989 PolarHBondContact O-N 3.49Å; F987-I990 PolarHBondContact O-N 3.39Å; F987-Y991 AromaticContact CE1-CD1 3.65Å; F987-Y991 HydrophobicContact CE1-CD1 3.65Å; F987-Y991 HydrophobicContact CE1-CD2 4.49Å; F987-Y991 HydrophobicContact CE1-CE1 4.18Å; F987-Y991 AromaticContact CE1-CG 3.82Å; F987-Y991 HydrophobicContact CE1-CG 3.82Å; F987-Y991 HydrophobicContact CE2-CD1 4.32Å; F987-Y991 AromaticContact CE2-CD2 3.7Å; F987-Y991 HydrophobicContact CE2-CD2 3.7Å; F987-Y991 HydrophobicContact CE2-CE2 4.27Å; F987-Y991 AromaticContact CE2-CG 3.74Å; F987-Y991 HydrophobicContact CE2-CG 3.74Å; F987-Y991 AromaticContact CZ-CD1 3.46Å; F987-Y991 HydrophobicContact CZ-CD1 3.46Å; F987-Y991 VanDerWaalsContact CZ-CD1 3.46Å; F987-Y991 AromaticContact CZ-CD2 3.59Å; F987-Y991 HydrophobicContact CZ-CD2 3.59Å; F987-Y991 AromaticContact CZ-CE1 3.8Å; F987-Y991 HydrophobicContact CZ-CE1 3.8Å; F987-Y991 AromaticContact CZ-CE2 3.94Å; F987-Y991 HydrophobicContact CZ-CE2 3.94Å; F987-Y991 AromaticContact CZ-CG 3.34Å; F987-Y991 HydrophobicContact CZ-CG 3.34Å; F987-Y991 WeakPolarHBondContact O-CB 3.24Å; F987-Y991 PolarHBondContact O-N 2.99Å |
| 988 | L | 90.4 | Very high | 89.4 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.3 | -28.2 | 178.2 | -169.5 | 69.6 | 0 | 0 | 0 | 112.1 | N948 W984 F985 P992 D1008 V1011 Y1012 | N948-L988 HydrophobicContact CB-CD1 4.44Å; W984-L988 HydrophobicContact CH2-CD1 4.43Å; W984-L988 HydrophobicContact CZ2-CD1 4.23Å; W984-L988 PolarHBondContact O-N 3.47Å; F985-L988 PolarHBondContact O-N 2.94Å; L988-P992 WeakPolarHBondContact O-CD 3.37Å; L988-P992 WeakPolarHBondContact O-CG 3.42Å; L988-D1008 WeakPolarHBondContact O-CB 3.44Å; L988-V1011 HydrophobicContact CD2-CB 4.36Å; L988-V1011 HydrophobicContact CD2-CG1 4.13Å; L988-Y1012 HydrophobicContact CD2-CE1 3.83Å |
| 989 | T | 91.5 | Very high | 88.6 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 37% | 0.368 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -80.1 | -35.5 | 176.9 | -49.4 | 0 | 0 | 0 | 0 | 112.5 | F985 L986 F987 H993 Y1012 | F985-T989 WeakPolarHBondContact O-CB 3.42Å; F985-T989 PolarHBondContact O-N 3.41Å; F985-T989 VanDerWaalsContact O-N 3.08Å; F985-T989 PolarHBondContact O-OG1 3.11Å; L986-T989 PolarHBondContact O-N 2.72Å; F987-T989 PolarHBondContact O-N 3.49Å; T989-H993 PolarHBondContact O-CD2 2.88Å; T989-H993 VanDerWaalsContact O-CD2 3.24Å; T989-Y1012 PolarHBondContact OG1-OH 3.21Å |
| 990 | I | 90.5 | Very high | 87.6 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -89.6 | -43.6 | -175.4 | -64.9 | 174.3 | 0 | 0 | 0 | 111.8 | L986 F987 H993 | L986-I990 HydrophobicContact CD1-CD1 3.71Å; L986-I990 HydrophobicContact CD1-CG1 4.31Å; L986-I990 HydrophobicContact CD2-CD1 4.42Å; L986-I990 HydrophobicContact CG-CD1 3.75Å; L986-I990 WeakPolarHBondContact O-CG1 3.27Å; L986-I990 PolarHBondContact O-N 2.98Å; F987-I990 PolarHBondContact O-N 3.39Å; I990-H993 PolarHBondContact O-N 3.45Å; I990-H993 VanDerWaalsContact O-N 3.08Å |
| 991 | Y | 88.8 | Confident | 86.6 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 7% | 0.071 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -59.7 | -41.4 | -169 | -174.1 | -121.8 | 0 | 0 | 0 | 114.4 | E855 W857 F987 H993 V994 L1000 A1001 M1004 | E855-Y991 PolarHBondContact OE1-OH 2.85Å; W857-Y991 VanDerWaalsContact CB-OH 3.3Å; W857-Y991 WeakPolarHBondContact CB-OH 3.48Å; F987-Y991 AromaticContact CE1-CD1 3.65Å; F987-Y991 HydrophobicContact CE1-CD1 3.65Å; F987-Y991 HydrophobicContact CE1-CD2 4.49Å; F987-Y991 HydrophobicContact CE1-CE1 4.18Å; F987-Y991 AromaticContact CE1-CG 3.82Å; F987-Y991 HydrophobicContact CE1-CG 3.82Å; F987-Y991 HydrophobicContact CE2-CD1 4.32Å; F987-Y991 AromaticContact CE2-CD2 3.7Å; F987-Y991 HydrophobicContact CE2-CD2 3.7Å; F987-Y991 HydrophobicContact CE2-CE2 4.27Å; F987-Y991 AromaticContact CE2-CG 3.74Å; F987-Y991 HydrophobicContact CE2-CG 3.74Å; F987-Y991 AromaticContact CZ-CD1 3.46Å; F987-Y991 HydrophobicContact CZ-CD1 3.46Å; F987-Y991 VanDerWaalsContact CZ-CD1 3.46Å; F987-Y991 AromaticContact CZ-CD2 3.59Å; F987-Y991 HydrophobicContact CZ-CD2 3.59Å; F987-Y991 AromaticContact CZ-CE1 3.8Å; F987-Y991 HydrophobicContact CZ-CE1 3.8Å; F987-Y991 AromaticContact CZ-CE2 3.94Å; F987-Y991 HydrophobicContact CZ-CE2 3.94Å; F987-Y991 AromaticContact CZ-CG 3.34Å; F987-Y991 HydrophobicContact CZ-CG 3.34Å; F987-Y991 WeakPolarHBondContact O-CB 3.24Å; F987-Y991 PolarHBondContact O-N 2.99Å; Y991-H993 PolarHBondContact O-N 2.97Å; Y991-V994 WeakPolarHBondContact O-CB 3.34Å; Y991-V994 PolarHBondContact O-N 3.16Å; Y991-L1000 HydrophobicContact CE2-CD2 3.8Å; Y991-A1001 HydrophobicContact CD1-CB 4.2Å; Y991-A1001 HydrophobicContact CD2-CB 4.38Å; Y991-A1001 HydrophobicContact CE1-CB 3.55Å; Y991-A1001 HydrophobicContact CE2-CB 3.73Å; Y991-A1001 VanDerWaalsContact OH-CB 3.32Å; Y991-A1001 WeakPolarHBondContact OH-CB 3.28Å; Y991-M1004 HydrophobicContact CD1-CB 4.19Å; Y991-M1004 HydrophobicContact CD1-CG 3.94Å; Y991-M1004 HydrophobicContact CE1-CB 4.31Å; Y991-M1004 HydrophobicContact CE1-CG 3.72Å |
| 992 | P | 87.8 | Confident | 86 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -55.3 | -30.2 | 173.1 | -33.4 | 42.2 | 0 | 0 | 0 | 115.5 | L988 M1004 M1007 D1008 | L988-P992 WeakPolarHBondContact O-CD 3.37Å; L988-P992 WeakPolarHBondContact O-CG 3.42Å; P992-M1004 WeakPolarHBondContact CB-O 3.37Å; P992-M1004 WeakPolarHBondContact CG-O 3.41Å; P992-M1007 HydrophobicContact CG-CB 4.3Å; P992-D1008 HydrophobicContact CG-CB 4.22Å |
| 993 | H | 87.3 | Confident | 85.4 | Confident | 103 Ų | 103 | 63.1 Ų | 63.1 | 48% | 0.477 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -90.2 | 1.2 | -175.8 | -64.7 | -67.2 | 0 | 0 | 0 | 113.6 | T989 I990 Y991 P996 D1008 F1009 | T989-H993 PolarHBondContact O-CD2 2.88Å; T989-H993 VanDerWaalsContact O-CD2 3.24Å; I990-H993 PolarHBondContact O-N 3.45Å; I990-H993 VanDerWaalsContact O-N 3.08Å; Y991-H993 PolarHBondContact O-N 2.97Å; H993-P996 WeakPolarHBondContact O-CD 3.35Å; H993-D1008 IonicContact CD2-OD2 3.73Å; H993-D1008 IonicContact CE1-OD2 3.72Å; H993-D1008 IonicContact NE2-OD1 3.78Å; H993-D1008 IonicContact NE2-OD2 2.79Å; H993-D1008 PolarHBondContact NE2-OD2 3.46Å; H993-F1009 AromaticContact CE1-CE2 3.94Å |
| 994 | V | 84.9 | Confident | 85.1 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -78.2 | -32.9 | -180 | 176.6 | 0 | 0 | 0 | 0 | 112 | Y991 T997 L998 | Y991-V994 WeakPolarHBondContact O-CB 3.34Å; Y991-V994 PolarHBondContact O-N 3.16Å; V994-T997 PolarHBondContact O-N 3.09Å; V994-T997 PolarHBondContact O-OG1 3.16Å; V994-L998 HydrophobicContact CG1-CB 4.04Å; V994-L998 HydrophobicContact CG1-CD1 4.21Å; V994-L998 PolarHBondContact O-N 3.4Å |
| 995 | Y | 78.4 | Confident | 84.7 | Confident | 102 Ų | 102 | 64.8 Ų | 64.8 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -38.7 | -173.2 | -174.8 | -110.1 | 0 | 0 | 0 | 115.8 | T997 L998 L1000 S1002 V1005 | Y995-T997 PolarHBondContact O-N 2.94Å; Y995-L998 CarbonylContact C-O 3.44Å; Y995-L998 VanDerWaalsContact CA-O 3.23Å; Y995-L998 WeakPolarHBondContact CA-O 3.4Å; Y995-L998 CarbonylContact O-C 3.52Å; Y995-L1000 WeakPolarHBondContact CD2-O 3.19Å; Y995-S1002 VanDerWaalsContact CD2-CA 3.45Å; Y995-S1002 VanDerWaalsContact CE2-CB 3.41Å; Y995-V1005 HydrophobicContact CD1-CG2 3.66Å; Y995-V1005 HydrophobicContact CG-CG2 3.83Å |
| 996 | P | 76.3 | Confident | 84.4 | Confident | 109 Ų | 109 | 64.4 Ų | 64.4 | 71% | 0.708 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.5 | 176.2 | -22.6 | 34.5 | 0 | 0 | 0 | 114 | H993 | H993-P996 WeakPolarHBondContact O-CD 3.35Š|
| 997 | T | 81.3 | Confident | 84.1 | Confident | 111 Ų | 111 | 60.3 Ų | 60.3 | 68% | 0.681 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -37.1 | -176.2 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | V994 Y995 | V994-T997 PolarHBondContact O-N 3.09Å; V994-T997 PolarHBondContact O-OG1 3.16Å; Y995-T997 PolarHBondContact O-N 2.94Å |
| 998 | L | 79.3 | Confident | 84 | Confident | 107 Ų | 107 | 59 Ų | 59 | 56% | 0.56 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -130.4 | 131.2 | 177.1 | -69.8 | 168.4 | 0 | 0 | 0 | 106.7 | V994 Y995 L1000 | V994-L998 HydrophobicContact CG1-CB 4.04Å; V994-L998 HydrophobicContact CG1-CD1 4.21Å; V994-L998 PolarHBondContact O-N 3.4Å; Y995-L998 CarbonylContact C-O 3.44Å; Y995-L998 VanDerWaalsContact CA-O 3.23Å; Y995-L998 WeakPolarHBondContact CA-O 3.4Å; Y995-L998 CarbonylContact O-C 3.52Å; L998-L1000 HydrophobicContact CB-CB 4.49Å; L998-L1000 PolarHBondContact O-N 2.97Å |
| 999 | P | 78.6 | Confident | 83.9 | Confident | 124 Ų | 124 | 65.9 Ų | 65.9 | 81% | 0.805 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -72.5 | 58.2 | -179.3 | 32 | -36.9 | 0 | 0 | 0 | 111.4 | ||
| 1000 | L | 74.5 | Confident | 83.8 | Confident | 68 Ų | 68 | 64.2 Ų | 64.2 | 36% | 0.356 | 36% | 0.361 | S | S | . | . | trans | -126.7 | 137.6 | -177.6 | -157 | 116.6 | 0 | 0 | 0 | 107.2 | W857 Y991 Y995 L998 | W857-L1000 HydrophobicContact CZ2-CD1 4.35Å; Y991-L1000 HydrophobicContact CE2-CD2 3.8Å; Y995-L1000 WeakPolarHBondContact CD2-O 3.19Å; L998-L1000 HydrophobicContact CB-CB 4.49Å; L998-L1000 PolarHBondContact O-N 2.97Å | ||
| 1001 | A | 74.3 | Confident | 83.8 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | trans | 64.8 | 41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y991 D1003 M1004 | Y991-A1001 HydrophobicContact CD1-CB 4.2Å; Y991-A1001 HydrophobicContact CD2-CB 4.38Å; Y991-A1001 HydrophobicContact CE1-CB 3.55Å; Y991-A1001 HydrophobicContact CE2-CB 3.73Å; Y991-A1001 VanDerWaalsContact OH-CB 3.32Å; Y991-A1001 WeakPolarHBondContact OH-CB 3.28Å; A1001-D1003 PolarHBondContact O-N 3.02Å; A1001-M1004 HydrophobicContact CB-CB 4.18Å; A1001-M1004 HydrophobicContact CB-CG 4.32Å; A1001-M1004 PolarHBondContact O-N 3.24Å | ||
| 1002 | S | 81.8 | Confident | 83.9 | Confident | 61 Ų | 61 | 61.4 Ų | 61.4 | 43% | 0.427 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -48.5 | -37 | 173.8 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | Y995 M1004 V1005 | Y995-S1002 VanDerWaalsContact CD2-CA 3.45Å; Y995-S1002 VanDerWaalsContact CE2-CB 3.41Å; S1002-M1004 PolarHBondContact O-N 3.11Å; S1002-V1005 WeakPolarHBondContact O-CG2 3.49Å |
| 1003 | D | 82.5 | Confident | 83.8 | Confident | 90 Ų | 90 | 64 Ų | 64 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -76.3 | -14.6 | -173.6 | -53.7 | -13.5 | 0 | 0 | 0 | 112.3 | L944 A1001 M1007 | L944-D1003 HydrophobicContact CD1-CB 4.08Å; L944-D1003 WeakPolarHBondContact CD1-O 3.26Å; A1001-D1003 PolarHBondContact O-N 3.02Å; D1003-M1007 WeakPolarHBondContact O-CE 3.25Å |
| 1004 | M | 85.3 | Confident | 83.8 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.015 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -96.9 | -2.6 | -176.5 | -66.7 | -70.3 | 100.7 | 0 | 0 | 114.1 | E855 L944 Y991 P992 A1001 S1002 G1006 M1007 | E855-M1004 HydrophobicContact CB-CE 3.75Å; E855-M1004 HydrophobicContact CB-CG 4.42Å; E855-M1004 HydrophobicContact CB-SD 3.95Å; E855-M1004 HydrophobicContact CG-CE 3.92Å; E855-M1004 HydrophobicContact CG-CG 3.86Å; E855-M1004 HydrophobicContact CG-SD 4.06Å; L944-M1004 HydrophobicContact CB-CE 4.2Å; L944-M1004 HydrophobicContact CD1-CE 3.95Å; L944-M1004 HydrophobicContact CD2-CE 3.85Å; L944-M1004 HydrophobicContact CG-CE 4.21Å; Y991-M1004 HydrophobicContact CD1-CB 4.19Å; Y991-M1004 HydrophobicContact CD1-CG 3.94Å; Y991-M1004 HydrophobicContact CE1-CB 4.31Å; Y991-M1004 HydrophobicContact CE1-CG 3.72Å; P992-M1004 WeakPolarHBondContact CB-O 3.37Å; P992-M1004 WeakPolarHBondContact CG-O 3.41Å; A1001-M1004 HydrophobicContact CB-CB 4.18Å; A1001-M1004 HydrophobicContact CB-CG 4.32Å; A1001-M1004 PolarHBondContact O-N 3.24Å; S1002-M1004 PolarHBondContact O-N 3.11Å; M1004-G1006 PolarHBondContact O-N 3.36Å; M1004-M1007 HydrophobicContact CB-CG 4.42Å; M1004-M1007 HydrophobicContact CE-CG 4.14Å; M1004-M1007 VanDerWaalsContact O-CB 3.3Å; M1004-M1007 WeakPolarHBondContact O-CB 3.14Å; M1004-M1007 VanDerWaalsContact O-CG 3.29Å; M1004-M1007 WeakPolarHBondContact O-CG 3.45Å; M1004-M1007 PolarHBondContact O-N 2.99Å; M1004-M1007 HydrophobicContact SD-CG 4.12Å |
| 1005 | V | 86.5 | Confident | 83.9 | Confident | 78 Ų | 78 | 60 Ų | 60 | 47% | 0.473 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 123.8 | -177.7 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | Y995 S1002 M1007 | Y995-V1005 HydrophobicContact CD1-CG2 3.66Å; Y995-V1005 HydrophobicContact CG-CG2 3.83Å; S1002-V1005 WeakPolarHBondContact O-CG2 3.49Å; V1005-M1007 VanDerWaalsContact C-N 3.29Å; V1005-M1007 PolarHBondContact O-N 3.29Å |
| 1006 | G | 86.3 | Confident | 84.4 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 32% | 0.32 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 9.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | M1004 D1008 F1009 A1010 | M1004-G1006 PolarHBondContact O-N 3.36Å; G1006-D1008 VanDerWaalsContact C-N 3.32Å; G1006-D1008 PolarHBondContact O-N 3.1Å; G1006-F1009 PolarHBondContact O-N 3.45Å; G1006-A1010 PolarHBondContact O-N 3.07Å; G1006-A1010 VanDerWaalsContact O-N 3.16Å |
| 1007 | M | 88.4 | Confident | 85.1 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.8 | -29.1 | -179.8 | -75.1 | -66.3 | 162.5 | 0 | 0 | 113.7 | L944 V945 P992 D1003 M1004 V1005 A1010 V1011 | L944-M1007 HydrophobicContact CB-CE 3.43Å; L944-M1007 VanDerWaalsContact CB-CE 3.43Å; L944-M1007 HydrophobicContact CB-SD 3.94Å; L944-M1007 HydrophobicContact CD1-CE 3.59Å; L944-M1007 HydrophobicContact CG-CE 4.16Å; V945-M1007 HydrophobicContact CG2-SD 4.18Å; P992-M1007 HydrophobicContact CG-CB 4.3Å; D1003-M1007 WeakPolarHBondContact O-CE 3.25Å; M1004-M1007 HydrophobicContact CB-CG 4.42Å; M1004-M1007 HydrophobicContact CE-CG 4.14Å; M1004-M1007 VanDerWaalsContact O-CB 3.3Å; M1004-M1007 WeakPolarHBondContact O-CB 3.14Å; M1004-M1007 VanDerWaalsContact O-CG 3.29Å; M1004-M1007 WeakPolarHBondContact O-CG 3.45Å; M1004-M1007 PolarHBondContact O-N 2.99Å; M1004-M1007 HydrophobicContact SD-CG 4.12Å; V1005-M1007 VanDerWaalsContact C-N 3.29Å; V1005-M1007 PolarHBondContact O-N 3.29Å; M1007-A1010 PolarHBondContact O-N 3.4Å; M1007-V1011 WeakPolarHBondContact O-CB 3.3Å; M1007-V1011 VanDerWaalsContact O-CG2 3.28Å; M1007-V1011 WeakPolarHBondContact O-CG2 3.42Å; M1007-V1011 PolarHBondContact O-N 3.34Å |
| 1008 | D | 89.8 | Confident | 85.6 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.043 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.6 | -51.3 | 174.4 | 57 | -33.1 | 0 | 0 | 0 | 111.3 | L988 P992 H993 G1006 A1010 Y1012 | L988-D1008 WeakPolarHBondContact O-CB 3.44Å; P992-D1008 HydrophobicContact CG-CB 4.22Å; H993-D1008 IonicContact CD2-OD2 3.73Å; H993-D1008 IonicContact CE1-OD2 3.72Å; H993-D1008 IonicContact NE2-OD1 3.78Å; H993-D1008 IonicContact NE2-OD2 2.79Å; H993-D1008 PolarHBondContact NE2-OD2 3.46Å; G1006-D1008 VanDerWaalsContact C-N 3.32Å; G1006-D1008 PolarHBondContact O-N 3.1Å; D1008-A1010 PolarHBondContact O-N 3.43Å; D1008-Y1012 HydrophobicContact CB-CD2 4.44Å; D1008-Y1012 HydrophobicContact CB-CE2 4.38Å; D1008-Y1012 VanDerWaalsContact O-CB 3.27Å; D1008-Y1012 WeakPolarHBondContact O-CB 3.14Å; D1008-Y1012 VanDerWaalsContact O-CD2 3.27Å; D1008-Y1012 WeakPolarHBondContact O-CD2 3.29Å; D1008-Y1012 PolarHBondContact O-N 3.35Å |
| 1009 | F | 88.7 | Confident | 86.2 | Confident | 149 Ų | 149 | 54.3 Ų | 54.3 | 65% | 0.654 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.7 | -39.1 | 177.2 | -70.1 | -77 | 0 | 0 | 0 | 112.2 | H993 G1006 G1013 | H993-F1009 AromaticContact CE1-CE2 3.94Å; G1006-F1009 PolarHBondContact O-N 3.45Å; F1009-G1013 WeakPolarHBondContact O-CA 3.32Å; F1009-G1013 PolarHBondContact O-N 3.19Å |
| 1010 | A | 87.9 | Confident | 86.8 | Confident | 25 Ų | 25 | 48.7 Ų | 48.7 | 21% | 0.207 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -48.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y935 V945 G1006 M1007 D1008 | Y935-A1010 WeakPolarHBondContact CE1-O 3.33Å; Y935-A1010 PolarHBondContact OH-O 3.22Å; V945-A1010 HydrophobicContact CG2-CB 3.93Å; G1006-A1010 PolarHBondContact O-N 3.07Å; G1006-A1010 VanDerWaalsContact O-N 3.16Å; M1007-A1010 PolarHBondContact O-N 3.4Å; D1008-A1010 PolarHBondContact O-N 3.43Å |
| 1011 | V | 90.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.5 | -48.3 | -178.2 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | V945 N948 L988 M1007 G1013 C1014 F1017 | V945-V1011 HydrophobicContact CG1-CG2 4.48Å; N948-V1011 HydrophobicContact CB-CG2 3.84Å; L988-V1011 HydrophobicContact CD2-CB 4.36Å; L988-V1011 HydrophobicContact CD2-CG1 4.13Å; M1007-V1011 WeakPolarHBondContact O-CB 3.3Å; M1007-V1011 VanDerWaalsContact O-CG2 3.28Å; M1007-V1011 WeakPolarHBondContact O-CG2 3.42Å; M1007-V1011 PolarHBondContact O-N 3.34Å; V1011-G1013 VanDerWaalsContact C-N 3.34Å; V1011-G1013 PolarHBondContact O-N 3.17Å; V1011-C1014 WeakPolarHBondContact O-CB 3.3Å; V1011-C1014 PolarHBondContact O-N 3.2Å; V1011-F1017 HydrophobicContact CG1-CD1 3.97Å; V1011-F1017 HydrophobicContact CG1-CD2 3.56Å; V1011-F1017 HydrophobicContact CG1-CE1 3.92Å; V1011-F1017 HydrophobicContact CG1-CE2 3.48Å; V1011-F1017 VanDerWaalsContact CG1-CE2 3.48Å; V1011-F1017 HydrophobicContact CG1-CG 3.79Å; V1011-F1017 HydrophobicContact CG1-CZ 3.66Å; V1011-F1017 WeakPolarHBondContact O-CD1 3.23Å |
| 1012 | Y | 90.7 | Very high | 88.4 | Confident | 55 Ų | 55 | 53.7 Ų | 53.7 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.5 | -25.7 | -178.2 | -61.5 | -31.3 | 0 | 0 | 0 | 113.6 | F985 L988 T989 D1008 C1014 F1017 W1018 | F985-Y1012 AromaticContact CD1-CE1 3.77Å; F985-Y1012 HydrophobicContact CD1-CE1 3.77Å; F985-Y1012 AromaticContact CD1-CZ 3.97Å; F985-Y1012 WeakPolarHBondContact CD1-OH 3.16Å; F985-Y1012 AromaticContact CE1-CE1 3.96Å; F985-Y1012 HydrophobicContact CE1-CE1 3.96Å; F985-Y1012 PolarHBondContact O-OH 3.43Å; L988-Y1012 HydrophobicContact CD2-CE1 3.83Å; T989-Y1012 PolarHBondContact OG1-OH 3.21Å; D1008-Y1012 HydrophobicContact CB-CD2 4.44Å; D1008-Y1012 HydrophobicContact CB-CE2 4.38Å; D1008-Y1012 VanDerWaalsContact O-CB 3.27Å; D1008-Y1012 WeakPolarHBondContact O-CB 3.14Å; D1008-Y1012 VanDerWaalsContact O-CD2 3.27Å; D1008-Y1012 WeakPolarHBondContact O-CD2 3.29Å; D1008-Y1012 PolarHBondContact O-N 3.35Å; Y1012-C1014 PolarHBondContact O-N 2.9Å; Y1012-F1017 AromaticContact CD1-CE1 3.93Å; Y1012-F1017 HydrophobicContact CD1-CE1 3.93Å; Y1012-F1017 HydrophobicContact CE1-CE1 4.32Å; Y1012-W1018 HydrophobicContact CD1-CH2 4.33Å; Y1012-W1018 AromaticContact CD1-CZ2 3.86Å; Y1012-W1018 HydrophobicContact CD1-CZ2 3.86Å; Y1012-W1018 HydrophobicContact CG-CZ2 4.32Å; Y1012-W1018 PolarHBondContact O-NE1 3.01Å |
| 1013 | G | 87.5 | Confident | 89 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 58% | 0.577 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -11 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1009 V1011 | F1009-G1013 WeakPolarHBondContact O-CA 3.32Å; F1009-G1013 PolarHBondContact O-N 3.19Å; V1011-G1013 VanDerWaalsContact C-N 3.34Å; V1011-G1013 PolarHBondContact O-N 3.17Å |
| 1014 | C | 86.6 | Confident | 89.5 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | trans | -85.8 | 117.1 | -178.7 | 180 | 0 | 0 | 0 | 0 | 111.6 | V934 Y935 V1011 Y1012 I1016 F1017 | V934-C1014 WeakPolarHBondContact CG1-SG 3.49Å; Y935-C1014 HydrophobicContact CE1-CB 3.93Å; V1011-C1014 WeakPolarHBondContact O-CB 3.3Å; V1011-C1014 PolarHBondContact O-N 3.2Å; Y1012-C1014 PolarHBondContact O-N 2.9Å; C1014-I1016 VanDerWaalsContact C-N 3.31Å; C1014-I1016 PolarHBondContact O-N 3.07Å; C1014-F1017 HydrophobicContact CB-CB 3.9Å; C1014-F1017 WeakPolarHBondContact O-CB 3.49Å; C1014-F1017 PolarHBondContact O-N 3.21Å; C1014-F1017 PolarHBondContact SG-N 3.09Å | ||
| 1015 | G | 87.2 | Confident | 89.9 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 55% | 0.546 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.3 | -34.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1017 W1018 F1019 | G1015-F1017 VanDerWaalsContact C-N 3.25Å; G1015-F1017 PolarHBondContact O-N 3Å; G1015-W1018 PolarHBondContact O-N 2.96Å; G1015-F1019 PolarHBondContact O-N 3.35Å; G1015-F1019 VanDerWaalsContact O-N 3.16Å |
| 1016 | I | 88.8 | Confident | 90.2 | Very high | 44 Ų | 44 | 52.4 Ų | 52.4 | 23% | 0.226 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -34.5 | 177 | -56.8 | -176.9 | 0 | 0 | 0 | 110.7 | A928 F929 V934 C1014 F1019 G1020 | A928-I1016 HydrophobicContact CB-CG2 3.87Å; F929-I1016 HydrophobicContact CE2-CG2 4.49Å; F929-I1016 HydrophobicContact CZ-CG2 4.49Å; V934-I1016 HydrophobicContact CB-CD1 4.48Å; V934-I1016 HydrophobicContact CG1-CD1 4.07Å; V934-I1016 HydrophobicContact CG2-CD1 4.36Å; C1014-I1016 VanDerWaalsContact C-N 3.31Å; C1014-I1016 PolarHBondContact O-N 3.07Å; I1016-F1019 PolarHBondContact O-N 3.43Å; I1016-G1020 PolarHBondContact O-N 3Å |
| 1017 | F | 91 | Very high | 90.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 176.3 | 167 | -100.6 | 0 | 0 | 0 | 111.8 | T952 Y953 F985 V1011 Y1012 C1014 G1015 F1019 G1020 F1021 | T952-F1017 HydrophobicContact CG2-CE2 4.01Å; T952-F1017 HydrophobicContact CG2-CZ 3.96Å; Y953-F1017 HydrophobicContact CE1-CD2 4.15Å; Y953-F1017 HydrophobicContact CE1-CE2 4.21Å; Y953-F1017 WeakPolarHBondContact OH-CA 3.42Å; Y953-F1017 PolarHBondContact OH-O 3.49Å; F985-F1017 HydrophobicContact CE1-CZ 4.35Å; V1011-F1017 HydrophobicContact CG1-CD1 3.97Å; V1011-F1017 HydrophobicContact CG1-CD2 3.56Å; V1011-F1017 HydrophobicContact CG1-CE1 3.92Å; V1011-F1017 HydrophobicContact CG1-CE2 3.48Å; V1011-F1017 VanDerWaalsContact CG1-CE2 3.48Å; V1011-F1017 HydrophobicContact CG1-CG 3.79Å; V1011-F1017 HydrophobicContact CG1-CZ 3.66Å; V1011-F1017 WeakPolarHBondContact O-CD1 3.23Å; Y1012-F1017 AromaticContact CD1-CE1 3.93Å; Y1012-F1017 HydrophobicContact CD1-CE1 3.93Å; Y1012-F1017 HydrophobicContact CE1-CE1 4.32Å; C1014-F1017 HydrophobicContact CB-CB 3.9Å; C1014-F1017 WeakPolarHBondContact O-CB 3.49Å; C1014-F1017 PolarHBondContact O-N 3.21Å; C1014-F1017 PolarHBondContact SG-N 3.09Å; G1015-F1017 VanDerWaalsContact C-N 3.25Å; G1015-F1017 PolarHBondContact O-N 3Å; F1017-F1019 PolarHBondContact O-N 3.35Å; F1017-G1020 PolarHBondContact O-N 2.66Å; F1017-F1021 VanDerWaalsContact O-CB 3.27Å; F1017-F1021 WeakPolarHBondContact O-CB 3.44Å; F1017-F1021 PolarHBondContact O-N 3.3Å |
| 1018 | W | 92.1 | Very high | 90.9 | Very high | 119 Ų | 119 | 53.1 Ų | 53.1 | 45% | 0.451 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67 | -35.3 | 179.5 | -68 | 108.6 | 0 | 0 | 0 | 113.2 | F985 Y1012 G1015 F1021 L1022 | F985-W1018 HydrophobicContact CE1-CH2 4.37Å; Y1012-W1018 HydrophobicContact CD1-CH2 4.33Å; Y1012-W1018 AromaticContact CD1-CZ2 3.86Å; Y1012-W1018 HydrophobicContact CD1-CZ2 3.86Å; Y1012-W1018 HydrophobicContact CG-CZ2 4.32Å; Y1012-W1018 PolarHBondContact O-NE1 3.01Å; G1015-W1018 PolarHBondContact O-N 2.96Å; W1018-F1021 HydrophobicContact CE3-CD1 4.28Å; W1018-F1021 PolarHBondContact O-N 2.86Å; W1018-L1022 PolarHBondContact O-N 3.34Å |
| 1019 | F | 91.4 | Very high | 91.1 | Very high | 145 Ų | 145 | 53.3 Ų | 53.3 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67.2 | -45.3 | 174.1 | -172.7 | -101.6 | 0 | 0 | 0 | 111.7 | G1015 I1016 F1017 F1021 L1022 L1023 | G1015-F1019 PolarHBondContact O-N 3.35Å; G1015-F1019 VanDerWaalsContact O-N 3.16Å; I1016-F1019 PolarHBondContact O-N 3.43Å; F1017-F1019 PolarHBondContact O-N 3.35Å; F1019-F1021 VanDerWaalsContact C-N 3.31Å; F1019-F1021 PolarHBondContact O-N 3.07Å; F1019-L1022 PolarHBondContact O-N 3.34Å; F1019-L1023 HydrophobicContact CD1-CD2 4.42Å; F1019-L1023 HydrophobicContact CE1-CD2 3.59Å; F1019-L1023 HydrophobicContact CZ-CD2 3.97Å; F1019-L1023 WeakPolarHBondContact O-CB 3.49Å; F1019-L1023 PolarHBondContact O-N 3.02Å; F1019-L1023 VanDerWaalsContact O-N 3.08Å |
| 1020 | G | 91.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 50.2 Ų | 50.2 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -37 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y953 I1016 F1017 L1022 L1023 I1024 | Y953-G1020 VanDerWaalsContact CE1-C 3.48Å; I1016-G1020 PolarHBondContact O-N 3Å; F1017-G1020 PolarHBondContact O-N 2.66Å; G1020-L1022 VanDerWaalsContact C-N 3.31Å; G1020-L1022 PolarHBondContact O-N 3.43Å; G1020-L1023 PolarHBondContact O-N 3.46Å; G1020-I1024 VanDerWaalsContact O-CB 3.27Å; G1020-I1024 WeakPolarHBondContact O-CB 3.45Å; G1020-I1024 VanDerWaalsContact O-CG1 3.29Å; G1020-I1024 WeakPolarHBondContact O-CG1 3.29Å; G1020-I1024 PolarHBondContact O-N 3.1Å |
| 1021 | F | 91.7 | Very high | 91.6 | Very high | 56 Ų | 56 | 53.2 Ų | 53.2 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.2 | -39.4 | 178.1 | 170.5 | -100.3 | 0 | 0 | 0 | 112.8 | T952 Y953 V956 F985 F1017 W1018 F1019 P1025 | T952-F1021 HydrophobicContact CG2-CD2 4.18Å; Y953-F1021 HydrophobicContact CD1-CB 4.42Å; Y953-F1021 HydrophobicContact CE1-CB 3.89Å; V956-F1021 HydrophobicContact CG2-CD2 4.26Å; V956-F1021 HydrophobicContact CG2-CE2 3.65Å; F985-F1021 AromaticContact CE2-CE2 3.85Å; F985-F1021 HydrophobicContact CE2-CE2 3.85Å; F985-F1021 HydrophobicContact CE2-CZ 4.27Å; F985-F1021 HydrophobicContact CZ-CD2 4.04Å; F985-F1021 AromaticContact CZ-CE2 3.47Å; F985-F1021 HydrophobicContact CZ-CE2 3.47Å; F985-F1021 VanDerWaalsContact CZ-CE2 3.47Å; F985-F1021 HydrophobicContact CZ-CZ 4.01Å; F1017-F1021 VanDerWaalsContact O-CB 3.27Å; F1017-F1021 WeakPolarHBondContact O-CB 3.44Å; F1017-F1021 PolarHBondContact O-N 3.3Å; W1018-F1021 HydrophobicContact CE3-CD1 4.28Å; W1018-F1021 PolarHBondContact O-N 2.86Å; F1019-F1021 VanDerWaalsContact C-N 3.31Å; F1019-F1021 PolarHBondContact O-N 3.07Å; F1021-P1025 WeakPolarHBondContact O-CD 3.47Å; F1021-P1025 WeakPolarHBondContact O-CG 3.47Å |
| 1022 | L | 91.3 | Very high | 91.7 | Very high | 128 Ų | 128 | 53.5 Ų | 53.5 | 67% | 0.67 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -81 | -47.2 | 177.2 | -173.4 | 70.1 | 0 | 0 | 0 | 111.9 | W1018 F1019 G1020 M1026 | W1018-L1022 PolarHBondContact O-N 3.34Å; F1019-L1022 PolarHBondContact O-N 3.34Å; G1020-L1022 VanDerWaalsContact C-N 3.31Å; G1020-L1022 PolarHBondContact O-N 3.43Å; L1022-M1026 WeakPolarHBondContact O-CG 3.32Å |
| 1023 | L | 93.4 | Very high | 91.8 | Very high | 72 Ų | 72 | 54 Ų | 54 | 38% | 0.377 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -77.2 | -42.1 | -167.7 | -174.8 | 66.5 | 0 | 0 | 0 | 113 | F1019 G1020 M1026 I1027 | F1019-L1023 HydrophobicContact CD1-CD2 4.42Å; F1019-L1023 HydrophobicContact CE1-CD2 3.59Å; F1019-L1023 HydrophobicContact CZ-CD2 3.97Å; F1019-L1023 WeakPolarHBondContact O-CB 3.49Å; F1019-L1023 PolarHBondContact O-N 3.02Å; F1019-L1023 VanDerWaalsContact O-N 3.08Å; G1020-L1023 PolarHBondContact O-N 3.46Å; L1023-M1026 WeakPolarHBondContact O-CB 3.34Å; L1023-M1026 PolarHBondContact O-N 3.26Å; L1023-I1027 HydrophobicContact CD1-CD1 3.99Å; L1023-I1027 HydrophobicContact CD1-CG1 4.27Å; L1023-I1027 HydrophobicContact CD2-CD1 4.16Å; L1023-I1027 HydrophobicContact CG-CD1 3.68Å; L1023-I1027 HydrophobicContact CG-CG1 4.31Å; L1023-I1027 WeakPolarHBondContact O-CG1 3.5Å; L1023-I1027 PolarHBondContact O-N 3.33Å |
| 1024 | I | 94 | Very high | 92.1 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.7 | -47.5 | -167.9 | -59.3 | 176.6 | 0 | 0 | 0 | 111.8 | L921 I924 P925 Y953 G1020 M1026 I1027 A1028 | L921-I1024 HydrophobicContact CD2-CG2 3.86Å; I924-I1024 HydrophobicContact CB-CD1 4.32Å; I924-I1024 HydrophobicContact CG2-CD1 3.82Å; I924-I1024 HydrophobicContact CG2-CG1 3.85Å; P925-I1024 HydrophobicContact CB-CD1 4.49Å; P925-I1024 HydrophobicContact CG-CD1 3.61Å; Y953-I1024 HydrophobicContact CD2-CD1 3.84Å; Y953-I1024 HydrophobicContact CE2-CD1 3.67Å; G1020-I1024 VanDerWaalsContact O-CB 3.27Å; G1020-I1024 WeakPolarHBondContact O-CB 3.45Å; G1020-I1024 VanDerWaalsContact O-CG1 3.29Å; G1020-I1024 WeakPolarHBondContact O-CG1 3.29Å; G1020-I1024 PolarHBondContact O-N 3.1Å; I1024-M1026 VanDerWaalsContact C-N 3.27Å; I1024-M1026 PolarHBondContact O-N 3.44Å; I1024-I1027 PolarHBondContact O-N 3.05Å; I1024-A1028 PolarHBondContact O-N 3.08Å |
| 1025 | P | 93.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.3 | -37.4 | 172.6 | -25.3 | 36.5 | 0 | 0 | 0 | 112.9 | V956 T957 L960 F1021 A1028 L1029 | V956-P1025 HydrophobicContact CB-CG 4.33Å; V956-P1025 HydrophobicContact CG1-CB 4.12Å; V956-P1025 HydrophobicContact CG1-CG 3.93Å; T957-P1025 WeakPolarHBondContact OG1-CA 3.25Å; T957-P1025 WeakPolarHBondContact OG1-CB 3.34Å; L960-P1025 HydrophobicContact CD1-CB 4.41Å; F1021-P1025 WeakPolarHBondContact O-CD 3.47Å; F1021-P1025 WeakPolarHBondContact O-CG 3.47Å; P1025-A1028 PolarHBondContact O-N 2.95Å; P1025-L1029 WeakPolarHBondContact O-CB 3.43Å; P1025-L1029 WeakPolarHBondContact O-CD1 3.39Å; P1025-L1029 WeakPolarHBondContact O-CG 3.17Å; P1025-L1029 PolarHBondContact O-N 3.36Å |
| 1026 | M | 93.2 | Very high | 92.3 | Very high | 124 Ų | 124 | 60.4 Ų | 60.4 | 61% | 0.611 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.3 | -47.2 | 176.9 | -76.5 | -73.7 | -73.1 | 0 | 0 | 111.9 | L1022 L1023 I1024 L1029 T1030 | L1022-M1026 WeakPolarHBondContact O-CG 3.32Å; L1023-M1026 WeakPolarHBondContact O-CB 3.34Å; L1023-M1026 PolarHBondContact O-N 3.26Å; I1024-M1026 VanDerWaalsContact C-N 3.27Å; I1024-M1026 PolarHBondContact O-N 3.44Å; M1026-L1029 PolarHBondContact O-N 3.3Å; M1026-T1030 PolarHBondContact O-N 2.81Å; M1026-T1030 PolarHBondContact O-OG1 3.09Å |
| 1027 | I | 94.4 | Very high | 92.3 | Very high | 65 Ų | 65 | 64.2 Ų | 64.2 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 177.6 | -69.3 | 171.5 | 0 | 0 | 0 | 110.7 | L920 I924 L1023 I1024 L1029 T1030 | L920-I1027 HydrophobicContact CD1-CG2 4.39Å; I924-I1027 HydrophobicContact CD1-CG2 4.38Å; L1023-I1027 HydrophobicContact CD1-CD1 3.99Å; L1023-I1027 HydrophobicContact CD1-CG1 4.27Å; L1023-I1027 HydrophobicContact CD2-CD1 4.16Å; L1023-I1027 HydrophobicContact CG-CD1 3.68Å; L1023-I1027 HydrophobicContact CG-CG1 4.31Å; L1023-I1027 WeakPolarHBondContact O-CG1 3.5Å; L1023-I1027 PolarHBondContact O-N 3.33Å; I1024-I1027 PolarHBondContact O-N 3.05Å; I1027-L1029 PolarHBondContact O-N 3.39Å; I1027-T1030 PolarHBondContact O-N 2.93Å |
| 1028 | A | 93.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H917 L920 T957 I1024 P1025 T1030 | H917-A1028 PolarHBondContact NE2-O 3.15Å; H917-A1028 VanDerWaalsContact NE2-O 3.11Å; L920-A1028 HydrophobicContact CD1-CB 4.49Å; T957-A1028 HydrophobicContact CG2-CB 3.82Å; I1024-A1028 PolarHBondContact O-N 3.08Å; P1025-A1028 PolarHBondContact O-N 2.95Å; A1028-T1030 PolarHBondContact O-N 3.26Å |
| 1029 | L | 94.2 | Very high | 91.9 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75.6 | -18.8 | -174.9 | -64 | 170.5 | 0 | 0 | 0 | 114.4 | T957 L960 K961 L964 P1025 M1026 I1027 R1031 D1032 I1033 | T957-L1029 HydrophobicContact CG2-CD2 4.18Å; T957-L1029 HydrophobicContact CG2-CG 4.28Å; L960-L1029 HydrophobicContact CB-CD1 3.49Å; L960-L1029 VanDerWaalsContact CB-CD1 3.49Å; L960-L1029 HydrophobicContact CD1-CD1 3.83Å; L960-L1029 HydrophobicContact CG-CD1 4.33Å; K961-L1029 HydrophobicContact CB-CD2 3.92Å; L964-L1029 HydrophobicContact CD1-CB 4.32Å; L964-L1029 HydrophobicContact CD1-CD2 3.88Å; P1025-L1029 WeakPolarHBondContact O-CB 3.43Å; P1025-L1029 WeakPolarHBondContact O-CD1 3.39Å; P1025-L1029 WeakPolarHBondContact O-CG 3.17Å; P1025-L1029 PolarHBondContact O-N 3.36Å; M1026-L1029 PolarHBondContact O-N 3.3Å; I1027-L1029 PolarHBondContact O-N 3.39Å; L1029-R1031 VanDerWaalsContact C-N 3.28Å; L1029-R1031 PolarHBondContact O-N 3.2Å; L1029-D1032 PolarHBondContact O-N 3.48Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.28Å; L1029-I1033 PolarHBondContact O-N 3.41Å |
| 1030 | T | 93.3 | Very high | 91.5 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 52% | 0.515 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56 | -43.4 | -178.5 | -65.6 | 0 | 0 | 0 | 0 | 111.8 | M1026 I1027 A1028 D1032 I1033 A1034 | M1026-T1030 PolarHBondContact O-N 2.81Å; M1026-T1030 PolarHBondContact O-OG1 3.09Å; I1027-T1030 PolarHBondContact O-N 2.93Å; A1028-T1030 PolarHBondContact O-N 3.26Å; T1030-D1032 VanDerWaalsContact C-N 3.33Å; T1030-D1032 PolarHBondContact O-N 3.39Å; T1030-I1033 PolarHBondContact O-N 3.25Å; T1030-A1034 WeakPolarHBondContact O-CB 3.33Å; T1030-A1034 PolarHBondContact O-N 2.69Å |
| 1031 | R | 93.3 | Very high | 91.1 | Very high | 88 Ų | 88 | 67.9 Ų | 67.9 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 177.1 | 177.5 | -88.2 | -175.3 | 178.9 | 3.3 | 111.7 | N913 Y916 L1029 A1034 W1035 | N913-R1031 VanDerWaalsContact CG-NH1 3.31Å; N913-R1031 PolarHBondContact OD1-NH1 3.11Å; Y916-R1031 HydrophobicContact CE1-CB 3.88Å; Y916-R1031 HydrophobicContact CE1-CG 4.12Å; L1029-R1031 VanDerWaalsContact C-N 3.28Å; L1029-R1031 PolarHBondContact O-N 3.2Å; R1031-A1034 PolarHBondContact O-N 3.47Å; R1031-W1035 WeakPolarHBondContact O-CB 3.4Å; R1031-W1035 PolarHBondContact O-N 2.99Å |
| 1032 | D | 93.2 | Very high | 90.6 | Very high | 6 Ų | 6 | 70.9 Ų | 70.9 | 3% | 0.032 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.4 | -37.8 | -177.5 | -82.5 | -10.8 | 0 | 0 | 0 | 112.4 | N913 H917 K961 L964 L1029 T1030 K1036 | N913-D1032 PolarHBondContact ND2-OD1 3.17Å; N913-D1032 PolarHBondContact ND2-OD2 3.33Å; N913-D1032 PolarHBondContact OD1-OD1 3.13Å; H917-D1032 IonicContact CE1-OD2 3.36Å; H917-D1032 PolarHBondContact CE1-OD2 3.29Å; H917-D1032 IonicContact NE2-OD2 3.16Å; K961-D1032 VanDerWaalsContact CD-OD2 3.26Å; K961-D1032 WeakPolarHBondContact CD-OD2 3.39Å; K961-D1032 WeakPolarHBondContact CE-OD2 3.43Å; K961-D1032 VanDerWaalsContact NZ-CG 3.3Å; K961-D1032 IonicContact NZ-OD1 3.59Å; K961-D1032 IonicContact NZ-OD2 3.17Å; K961-D1032 PolarHBondContact NZ-OD2 2.9Å; L964-D1032 HydrophobicContact CD1-CB 4.41Å; L1029-D1032 PolarHBondContact O-N 3.48Å; T1030-D1032 VanDerWaalsContact C-N 3.33Å; T1030-D1032 PolarHBondContact O-N 3.39Å; D1032-K1036 VanDerWaalsContact O-CB 3.25Å; D1032-K1036 WeakPolarHBondContact O-CB 3.29Å; D1032-K1036 PolarHBondContact O-N 3.23Å |
| 1033 | I | 93.5 | Very high | 89.8 | Confident | 66 Ų | 66 | 67.9 Ų | 67.9 | 34% | 0.338 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.5 | -49.4 | 172.5 | -65.5 | 167.8 | 0 | 0 | 0 | 109.8 | L964 L1029 T1030 W1035 K1036 M1037 | L964-I1033 HydrophobicContact CD1-CG1 3.87Å; L964-I1033 HydrophobicContact CD2-CD1 4.41Å; L964-I1033 HydrophobicContact CD2-CG1 3.94Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.28Å; L1029-I1033 PolarHBondContact O-N 3.41Å; T1030-I1033 PolarHBondContact O-N 3.25Å; I1033-W1035 PolarHBondContact O-N 2.81Å; I1033-K1036 PolarHBondContact O-N 3.18Å; I1033-M1037 HydrophobicContact CG2-CE 3.71Å; I1033-M1037 HydrophobicContact CG2-SD 4.03Å; I1033-M1037 WeakPolarHBondContact O-CB 3.37Å; I1033-M1037 WeakPolarHBondContact O-CG 3.38Å; I1033-M1037 PolarHBondContact O-N 3.5Å |
| 1034 | A | 93.2 | Very high | 88.7 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1030 R1031 M1037 A1038 | T1030-A1034 WeakPolarHBondContact O-CB 3.33Å; T1030-A1034 PolarHBondContact O-N 2.69Å; R1031-A1034 PolarHBondContact O-N 3.47Å; A1034-M1037 PolarHBondContact O-N 2.98Å; A1034-A1038 WeakPolarHBondContact O-CB 3.34Å; A1034-A1038 PolarHBondContact O-N 3.46Å |
| 1035 | W | 90.6 | Very high | 88 | Confident | 147 Ų | 147 | 67 Ų | 67 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.1 | -45 | 176.9 | 174.9 | -106.3 | 0 | 0 | 0 | 112.2 | R1031 I1033 M1037 A1038 K1039 | R1031-W1035 WeakPolarHBondContact O-CB 3.4Å; R1031-W1035 PolarHBondContact O-N 2.99Å; I1033-W1035 PolarHBondContact O-N 2.81Å; W1035-M1037 PolarHBondContact O-N 3.25Å; W1035-A1038 PolarHBondContact O-N 2.99Å; W1035-K1039 WeakPolarHBondContact O-CB 3.39Å; W1035-K1039 PolarHBondContact O-N 3.07Å |
| 1036 | K | 87.9 | Confident | 87.4 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 17% | 0.174 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.5 | -38.2 | -179.5 | -168.6 | 161.6 | -171.2 | 158.7 | 0 | 112 | L964 E965 D1032 I1033 R1040 | L964-K1036 PolarHBondContact O-NZ 2.95Å; E965-K1036 IonicContact OE2-NZ 3.07Å; E965-K1036 PolarHBondContact OE2-NZ 3.44Å; D1032-K1036 VanDerWaalsContact O-CB 3.25Å; D1032-K1036 WeakPolarHBondContact O-CB 3.29Å; D1032-K1036 PolarHBondContact O-N 3.23Å; I1033-K1036 PolarHBondContact O-N 3.18Å; K1036-R1040 WeakPolarHBondContact O-CB 2.99Å; K1036-R1040 VanDerWaalsContact O-CG 3.3Å; K1036-R1040 WeakPolarHBondContact O-CG 3.46Å; K1036-R1040 PolarHBondContact O-N 3.19Å; K1036-R1040 VanDerWaalsContact O-N 3.14Å |
| 1037 | M | 88.6 | Confident | 86.8 | Confident | 123 Ų | 123 | 63.5 Ų | 63.5 | 61% | 0.606 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.7 | -50 | 171.9 | -73 | 179.9 | 175.3 | 0 | 0 | 111.3 | I1033 A1034 W1035 K1039 R1040 V1041 | I1033-M1037 HydrophobicContact CG2-CE 3.71Å; I1033-M1037 HydrophobicContact CG2-SD 4.03Å; I1033-M1037 WeakPolarHBondContact O-CB 3.37Å; I1033-M1037 WeakPolarHBondContact O-CG 3.38Å; I1033-M1037 PolarHBondContact O-N 3.5Å; A1034-M1037 PolarHBondContact O-N 2.98Å; W1035-M1037 PolarHBondContact O-N 3.25Å; M1037-K1039 PolarHBondContact O-N 2.87Å; M1037-R1040 PolarHBondContact O-N 3.07Å; M1037-V1041 WeakPolarHBondContact O-CG2 3.37Å; M1037-V1041 PolarHBondContact O-N 3.33Å; M1037-V1041 VanDerWaalsContact O-N 3.13Å |
| 1038 | A | 89.3 | Confident | 86.2 | Confident | 47 Ų | 47 | 62.3 Ų | 62.3 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58 | -47.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1034 W1035 R1040 V1041 T1042 | A1034-A1038 WeakPolarHBondContact O-CB 3.34Å; A1034-A1038 PolarHBondContact O-N 3.46Å; W1035-A1038 PolarHBondContact O-N 2.99Å; A1038-R1040 PolarHBondContact O-N 2.86Å; A1038-V1041 PolarHBondContact O-N 3.37Å; A1038-T1042 PolarHBondContact O-N 3.03Å; A1038-T1042 PolarHBondContact O-OG1 2.69Å |
| 1039 | K | 85.9 | Confident | 85.8 | Confident | 93 Ų | 93 | 65.4 Ų | 65.4 | 40% | 0.404 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 178.6 | -174.3 | -172.6 | 175.6 | -161.8 | 0 | 112.1 | W1035 M1037 V1041 A1043 G1044 | W1035-K1039 WeakPolarHBondContact O-CB 3.39Å; W1035-K1039 PolarHBondContact O-N 3.07Å; M1037-K1039 PolarHBondContact O-N 2.87Å; K1039-V1041 PolarHBondContact O-N 3.2Å; K1039-A1043 CarbonylContact O-C 3.41Å; K1039-A1043 WeakPolarHBondContact O-CA 3.35Å; K1039-A1043 PolarHBondContact O-N 3.37Å; K1039-G1044 PolarHBondContact O-N 3.24Å |
| 1040 | R | 81.5 | Confident | 85.3 | Confident | 85 Ų | 85 | 64.8 Ų | 64.8 | 32% | 0.321 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.4 | -29.9 | 179.9 | -78.4 | 178.5 | 176.9 | -174.7 | -0.2 | 112.9 | K1036 M1037 A1038 | K1036-R1040 WeakPolarHBondContact O-CB 2.99Å; K1036-R1040 VanDerWaalsContact O-CG 3.3Å; K1036-R1040 WeakPolarHBondContact O-CG 3.46Å; K1036-R1040 PolarHBondContact O-N 3.19Å; K1036-R1040 VanDerWaalsContact O-N 3.14Å; M1037-R1040 PolarHBondContact O-N 3.07Å; A1038-R1040 PolarHBondContact O-N 2.86Å |
| 1041 | V | 84 | Confident | 84.9 | Confident | 124 Ų | 124 | 61.6 Ų | 61.6 | 75% | 0.752 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -83.9 | -44.9 | -179.8 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | M1037 A1038 K1039 | M1037-V1041 WeakPolarHBondContact O-CG2 3.37Å; M1037-V1041 PolarHBondContact O-N 3.33Å; M1037-V1041 VanDerWaalsContact O-N 3.13Å; A1038-V1041 PolarHBondContact O-N 3.37Å; K1039-V1041 PolarHBondContact O-N 3.2Å |
| 1042 | T | 80.8 | Confident | 84.4 | Confident | 119 Ų | 119 | 61 Ų | 61 | 73% | 0.73 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -92.8 | -30.3 | -171.1 | 61.2 | 0 | 0 | 0 | 0 | 114 | A1038 | A1038-T1042 PolarHBondContact O-N 3.03Å; A1038-T1042 PolarHBondContact O-OG1 2.69Å |
| 1043 | A | 75.4 | Confident | 84 | Confident | 64 Ų | 64 | 63.1 Ų | 63.1 | 53% | 0.529 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -146.4 | 43.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K1039 S1045 | K1039-A1043 CarbonylContact O-C 3.41Å; K1039-A1043 WeakPolarHBondContact O-CA 3.35Å; K1039-A1043 PolarHBondContact O-N 3.37Å; A1043-S1045 PolarHBondContact O-N 3Å |
| 1044 | G | 70.4 | Confident | 83.6 | Confident | 14 Ų | 14 | 63 Ų | 63 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | trans | -61.9 | 127.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | K1039 E1048 Q1049 | K1039-G1044 PolarHBondContact O-N 3.24Å; G1044-E1048 WeakPolarHBondContact CA-OE2 3.45Å; G1044-Q1049 PolarHBondContact O-NE2 3.42Å | ||
| 1045 | S | 78.1 | Confident | 83.1 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 31% | 0.308 | 35% | 0.346 | S | S | . | . | trans | -63.6 | 159 | 176.1 | 67.3 | 0 | 0 | 0 | 0 | 111.1 | A1043 R1047 E1048 Q1049 | A1043-S1045 PolarHBondContact O-N 3Å; S1045-R1047 PolarHBondContact O-N 3.36Å; S1045-E1048 PolarHBondContact N-OE2 2.98Å; S1045-E1048 PolarHBondContact O-N 3Å; S1045-E1048 VanDerWaalsContact OG-CG 3.31Å; S1045-E1048 WeakPolarHBondContact OG-CG 3.12Å; S1045-E1048 PolarHBondContact OG-N 3.27Å; S1045-Q1049 WeakPolarHBondContact O-CG 3.41Å; S1045-Q1049 PolarHBondContact O-N 3.07Å | ||
| 1046 | L | 80.5 | Confident | 82.8 | Confident | 36 Ų | 36 | 66.8 Ų | 66.8 | 19% | 0.188 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -52.5 | -43 | 177.4 | -179.7 | 64.9 | 0 | 0 | 0 | 110.6 | L892 Q1049 V1050 L1063 I1064 | L892-L1046 HydrophobicContact CD2-CD2 4.22Å; L892-L1046 HydrophobicContact CD2-CG 4.02Å; L1046-Q1049 PolarHBondContact O-N 3.03Å; L1046-V1050 WeakPolarHBondContact O-CG2 3.44Å; L1046-V1050 PolarHBondContact O-N 3.09Å; L1046-L1063 HydrophobicContact CD1-CD2 3.59Å; L1046-I1064 HydrophobicContact CD1-CG1 4.42Å |
| 1047 | R | 81.5 | Confident | 82.6 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | 173.6 | -162.5 | -175.6 | -158.8 | 119.3 | 0.8 | 114 | N819 S880 C881 D895 S1045 Q1049 V1050 M1051 | N819-R1047 PolarHBondContact ND2-NH1 2.92Å; N819-R1047 PolarHBondContact ND2-NH2 3.44Å; S880-R1047 PolarHBondContact OG-NE 2.67Å; S880-R1047 PolarHBondContact OG-NH2 3.2Å; C881-R1047 WeakPolarHBondContact SG-CG 3.3Å; D895-R1047 PolarHBondContact OD2-N 2.87Å; S1045-R1047 PolarHBondContact O-N 3.36Å; R1047-Q1049 VanDerWaalsContact C-N 3.32Å; R1047-Q1049 PolarHBondContact O-N 3.35Å; R1047-V1050 PolarHBondContact O-N 3.47Å; R1047-M1051 WeakPolarHBondContact O-CB 3.37Å; R1047-M1051 PolarHBondContact O-N 3.15Å |
| 1048 | E | 82.5 | Confident | 82.3 | Confident | 40 Ų | 40 | 71.6 Ų | 71.6 | 19% | 0.187 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 179.2 | -75.2 | 172.7 | 174.4 | 0 | 0 | 111.6 | G1044 S1045 M1051 Q1052 | G1044-E1048 WeakPolarHBondContact CA-OE2 3.45Å; S1045-E1048 PolarHBondContact N-OE2 2.98Å; S1045-E1048 PolarHBondContact O-N 3Å; S1045-E1048 VanDerWaalsContact OG-CG 3.31Å; S1045-E1048 WeakPolarHBondContact OG-CG 3.12Å; S1045-E1048 PolarHBondContact OG-N 3.27Å; E1048-M1051 PolarHBondContact O-N 2.83Å; E1048-Q1052 WeakPolarHBondContact O-CG 3.38Å; E1048-Q1052 PolarHBondContact O-N 3.42Å |
| 1049 | Q | 83.2 | Confident | 81.9 | Confident | 64 Ų | 64 | 73.7 Ų | 73.7 | 30% | 0.299 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 175.3 | -65.3 | 175.7 | 19.8 | 0 | 0 | 111.4 | G1044 S1045 L1046 R1047 M1051 Q1052 M1053 L1063 | G1044-Q1049 PolarHBondContact O-NE2 3.42Å; S1045-Q1049 WeakPolarHBondContact O-CG 3.41Å; S1045-Q1049 PolarHBondContact O-N 3.07Å; L1046-Q1049 PolarHBondContact O-N 3.03Å; R1047-Q1049 VanDerWaalsContact C-N 3.32Å; R1047-Q1049 PolarHBondContact O-N 3.35Å; Q1049-M1051 VanDerWaalsContact C-N 3.34Å; Q1049-M1051 PolarHBondContact O-N 3.39Å; Q1049-Q1052 PolarHBondContact O-N 3.47Å; Q1049-M1053 WeakPolarHBondContact O-CG 3.48Å; Q1049-M1053 PolarHBondContact O-N 2.72Å; Q1049-L1063 HydrophobicContact CB-CD2 3.89Å; Q1049-L1063 VanDerWaalsContact OE1-CD1 3.25Å |
| 1050 | V | 85.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.5 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | N885 L892 L1046 R1047 Q1052 M1053 E1054 P1060 L1063 I1064 | N885-V1050 HydrophobicContact CB-CG1 4.48Å; L892-V1050 HydrophobicContact CD1-CG1 4.15Å; L892-V1050 HydrophobicContact CD2-CB 4.35Å; L892-V1050 HydrophobicContact CD2-CG2 3.94Å; L1046-V1050 WeakPolarHBondContact O-CG2 3.44Å; L1046-V1050 PolarHBondContact O-N 3.09Å; R1047-V1050 PolarHBondContact O-N 3.47Å; V1050-Q1052 VanDerWaalsContact C-N 3.34Å; V1050-Q1052 PolarHBondContact O-N 3.34Å; V1050-M1053 PolarHBondContact O-N 3.3Å; V1050-E1054 WeakPolarHBondContact O-CB 3.33Å; V1050-E1054 PolarHBondContact O-N 2.91Å; V1050-P1060 HydrophobicContact CB-CB 4.44Å; V1050-P1060 HydrophobicContact CG1-CB 4.24Å; V1050-P1060 HydrophobicContact CG1-CG 4Å; V1050-P1060 HydrophobicContact CG2-CB 3.95Å; V1050-P1060 HydrophobicContact CG2-CG 4.46Å; V1050-L1063 HydrophobicContact CG2-CD2 4.47Å; V1050-I1064 HydrophobicContact CG2-CD1 4.02Å; V1050-I1064 HydrophobicContact CG2-CG1 4.37Å |
| 1051 | M | 84.2 | Confident | 81.3 | Confident | 17 Ų | 17 | 65.5 Ų | 65.5 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62 | -40.3 | 176.1 | -176.2 | -172 | 68.9 | 0 | 0 | 112.1 | T967 R1047 E1048 Q1049 E1054 Q1055 | T967-M1051 HydrophobicContact CG2-SD 4.09Å; R1047-M1051 WeakPolarHBondContact O-CB 3.37Å; R1047-M1051 PolarHBondContact O-N 3.15Å; E1048-M1051 PolarHBondContact O-N 2.83Å; Q1049-M1051 VanDerWaalsContact C-N 3.34Å; Q1049-M1051 PolarHBondContact O-N 3.39Å; M1051-E1054 WeakPolarHBondContact O-CB 3.39Å; M1051-E1054 PolarHBondContact O-N 2.97Å; M1051-Q1055 WeakPolarHBondContact O-CG 3.4Å; M1051-Q1055 PolarHBondContact O-N 3.34Å |
| 1052 | Q | 83.1 | Confident | 80.9 | Confident | 75 Ų | 75 | 69.9 Ų | 69.9 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 175.3 | -74.5 | 173.3 | 4.9 | 0 | 0 | 111.8 | E1048 Q1049 V1050 E1054 Q1055 M1056 | E1048-Q1052 WeakPolarHBondContact O-CG 3.38Å; E1048-Q1052 PolarHBondContact O-N 3.42Å; Q1049-Q1052 PolarHBondContact O-N 3.47Å; V1050-Q1052 VanDerWaalsContact C-N 3.34Å; V1050-Q1052 PolarHBondContact O-N 3.34Å; Q1052-E1054 VanDerWaalsContact C-N 3.31Å; Q1052-E1054 PolarHBondContact O-N 3.19Å; Q1052-Q1055 PolarHBondContact O-N 2.93Å; Q1052-M1056 WeakPolarHBondContact O-CG 3.11Å; Q1052-M1056 PolarHBondContact O-N 3.38Å |
| 1053 | M | 84 | Confident | 80.6 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 176 | -68.6 | -174 | -169.5 | 0 | 0 | 111.8 | Q1049 V1050 M1056 Q1057 V1058 P1060 L1063 | Q1049-M1053 WeakPolarHBondContact O-CG 3.48Å; Q1049-M1053 PolarHBondContact O-N 2.72Å; V1050-M1053 PolarHBondContact O-N 3.3Å; M1053-M1056 CarbonylContact O-C 3.56Å; M1053-M1056 PolarHBondContact O-N 3.42Å; M1053-M1056 VanDerWaalsContact O-N 3.17Å; M1053-Q1057 PolarHBondContact O-N 3.2Å; M1053-V1058 CarbonylContact C-O 3.52Å; M1053-V1058 PolarHBondContact O-N 2.85Å; M1053-P1060 HydrophobicContact CB-CB 4.21Å; M1053-P1060 HydrophobicContact SD-CB 3.78Å; M1053-L1063 HydrophobicContact CE-CB 3.89Å; M1053-L1063 HydrophobicContact CE-CD1 3.6Å; M1053-L1063 HydrophobicContact CE-CD2 4.31Å; M1053-L1063 HydrophobicContact CE-CG 4.13Å; M1053-L1063 HydrophobicContact SD-CB 4.27Å |
| 1054 | E | 84.9 | Confident | 80.5 | Confident | 63 Ų | 63 | 63.4 Ų | 63.4 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 174.4 | -175.3 | 174.1 | 179.6 | 0 | 0 | 111.9 | S882 N885 V1050 M1051 Q1052 M1056 Q1057 | S882-E1054 WeakPolarHBondContact CB-OE1 3.33Å; S882-E1054 PolarHBondContact N-OE2 3.26Å; S882-E1054 VanDerWaalsContact OG-CD 3.25Å; S882-E1054 PolarHBondContact OG-OE1 3.36Å; S882-E1054 PolarHBondContact OG-OE2 3.43Å; N885-E1054 PolarHBondContact ND2-OE2 3.02Å; V1050-E1054 WeakPolarHBondContact O-CB 3.33Å; V1050-E1054 PolarHBondContact O-N 2.91Å; M1051-E1054 WeakPolarHBondContact O-CB 3.39Å; M1051-E1054 PolarHBondContact O-N 2.97Å; Q1052-E1054 VanDerWaalsContact C-N 3.31Å; Q1052-E1054 PolarHBondContact O-N 3.19Å; E1054-M1056 VanDerWaalsContact C-N 3.26Å; E1054-M1056 PolarHBondContact O-N 2.99Å; E1054-Q1057 PolarHBondContact O-N 3.3Å |
| 1055 | Q | 82.8 | Confident | 80.5 | Confident | 135 Ų | 135 | 71.3 Ų | 71.3 | 63% | 0.631 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63 | -33.4 | 174 | -73 | 176 | -8.3 | 0 | 0 | 112.5 | M1051 Q1052 Q1057 | M1051-Q1055 WeakPolarHBondContact O-CG 3.4Å; M1051-Q1055 PolarHBondContact O-N 3.34Å; Q1052-Q1055 PolarHBondContact O-N 2.93Å; Q1055-Q1057 VanDerWaalsContact C-N 3.26Å; Q1055-Q1057 PolarHBondContact O-N 3.42Å |
| 1056 | M | 85.3 | Confident | 79.8 | Confident | 148 Ų | 148 | 72.4 Ų | 72.4 | 73% | 0.729 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -0.3 | 175.3 | -61.7 | -111.3 | -73 | 0 | 0 | 113.2 | Q1052 M1053 E1054 V1058 | Q1052-M1056 WeakPolarHBondContact O-CG 3.11Å; Q1052-M1056 PolarHBondContact O-N 3.38Å; M1053-M1056 CarbonylContact O-C 3.56Å; M1053-M1056 PolarHBondContact O-N 3.42Å; M1053-M1056 VanDerWaalsContact O-N 3.17Å; E1054-M1056 VanDerWaalsContact C-N 3.26Å; E1054-M1056 PolarHBondContact O-N 2.99Å; M1056-V1058 HydrophobicContact CB-CG2 4.08Å; M1056-V1058 PolarHBondContact O-N 3.31Å |
| 1057 | Q | 83.1 | Confident | 79.1 | Confident | 183 Ų | 183 | 74.1 Ų | 74.1 | 86% | 0.855 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 30.4 | -173.8 | -58.3 | -174.7 | -25.8 | 0 | 0 | 114.3 | M1053 E1054 Q1055 | M1053-Q1057 PolarHBondContact O-N 3.2Å; E1054-Q1057 PolarHBondContact O-N 3.3Å; Q1055-Q1057 VanDerWaalsContact C-N 3.26Å; Q1055-Q1057 PolarHBondContact O-N 3.42Å |
| 1058 | V | 83.3 | Confident | 78.1 | Confident | 81 Ų | 81 | 76.9 Ų | 76.9 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | trans | -101.5 | 135.5 | 177 | -179.6 | 0 | 0 | 0 | 0 | 110 | M1053 M1056 P1060 | M1053-V1058 CarbonylContact C-O 3.52Å; M1053-V1058 PolarHBondContact O-N 2.85Å; M1056-V1058 HydrophobicContact CB-CG2 4.08Å; M1056-V1058 PolarHBondContact O-N 3.31Å; V1058-P1060 WeakPolarHBondContact O-CD 3.27Å | ||
| 1059 | D | 79.5 | Confident | 76.4 | Confident | 91 Ų | 91 | 85.2 Ų | 85.2 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | trans | -69.9 | 119.4 | 179.4 | -166 | 14.6 | 0 | 0 | 0 | 111.2 | K888 Y889 G1061 | K888-D1059 IonicContact NZ-OD1 2.7Å; K888-D1059 PolarHBondContact NZ-OD1 2.93Å; K888-D1059 IonicContact NZ-OD2 3.83Å; K888-D1059 PolarHBondContact NZ-OD2 3.33Å; Y889-D1059 PolarHBondContact OH-OD1 2.85Å; D1059-G1061 PolarHBondContact O-N 2.87Å; D1059-G1061 VanDerWaalsContact O-N 3.1Å | ||
| 1060 | P | 78.1 | Confident | 74.7 | Confident | 2 Ų | 2 | 85.6 Ų | 85.6 | 1% | 0.013 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 2 | -172.6 | 29.3 | -36.4 | 0 | 0 | 0 | 114.7 | Y889 V1050 M1053 V1058 R1062 L1063 I1064 | Y889-P1060 HydrophobicContact CD2-CG 3.99Å; Y889-P1060 HydrophobicContact CE2-CG 3.43Å; Y889-P1060 VanDerWaalsContact CE2-CG 3.43Å; V1050-P1060 HydrophobicContact CB-CB 4.44Å; V1050-P1060 HydrophobicContact CG1-CB 4.24Å; V1050-P1060 HydrophobicContact CG1-CG 4Å; V1050-P1060 HydrophobicContact CG2-CB 3.95Å; V1050-P1060 HydrophobicContact CG2-CG 4.46Å; M1053-P1060 HydrophobicContact CB-CB 4.21Å; M1053-P1060 HydrophobicContact SD-CB 3.78Å; V1058-P1060 WeakPolarHBondContact O-CD 3.27Å; P1060-R1062 PolarHBondContact O-N 2.85Å; P1060-L1063 WeakPolarHBondContact O-CB 3.11Å; P1060-L1063 PolarHBondContact O-N 3.19Å; P1060-I1064 HydrophobicContact CB-CD1 4.35Å; P1060-I1064 PolarHBondContact O-N 3.12Å |
| 1061 | G | 77.4 | Confident | 72.6 | Confident | 4 Ų | 4 | 96 Ų | 96 | 4% | 0.041 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.2 | -17.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y889 D1059 R1065 | Y889-G1061 WeakPolarHBondContact OH-CA 3.35Å; Y889-G1061 PolarHBondContact OH-N 3.25Å; D1059-G1061 PolarHBondContact O-N 2.87Å; D1059-G1061 VanDerWaalsContact O-N 3.1Å; G1061-R1065 WeakPolarHBondContact O-CB 3.17Å; G1061-R1065 WeakPolarHBondContact O-CG 3.44Å; G1061-R1065 PolarHBondContact O-N 3.11Å; G1061-R1065 PolarHBondContact O-NE 3.44Å |
| 1062 | R | 75.5 | Confident | 70.7 | Confident | 217 Ų | 217 | 98 Ų | 98 | 82% | 0.819 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -74.4 | -42.1 | 172.4 | -71.1 | -174.9 | -177.7 | 179 | 1.6 | 111.9 | P1060 R1065 A1066 | P1060-R1062 PolarHBondContact O-N 2.85Å; R1062-R1065 PolarHBondContact O-N 3.38Å; R1062-A1066 PolarHBondContact O-N 3.21Å; R1062-A1066 VanDerWaalsContact O-N 3.09Å |
| 1063 | L | 75.9 | Confident | 68.7 | Low | 43 Ų | 43 | 100.6 Ų | 100.6 | 23% | 0.225 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -64 | -44.9 | -179.8 | -174.5 | 102.5 | 0 | 0 | 0 | 110.8 | L1046 Q1049 V1050 M1053 P1060 A1066 S1067 | L1046-L1063 HydrophobicContact CD1-CD2 3.59Å; Q1049-L1063 HydrophobicContact CB-CD2 3.89Å; Q1049-L1063 VanDerWaalsContact OE1-CD1 3.25Å; V1050-L1063 HydrophobicContact CG2-CD2 4.47Å; M1053-L1063 HydrophobicContact CE-CB 3.89Å; M1053-L1063 HydrophobicContact CE-CD1 3.6Å; M1053-L1063 HydrophobicContact CE-CD2 4.31Å; M1053-L1063 HydrophobicContact CE-CG 4.13Å; M1053-L1063 HydrophobicContact SD-CB 4.27Å; P1060-L1063 WeakPolarHBondContact O-CB 3.11Å; P1060-L1063 PolarHBondContact O-N 3.19Å; L1063-A1066 WeakPolarHBondContact O-CB 3.38Å; L1063-A1066 PolarHBondContact O-N 3.34Å; L1063-A1066 VanDerWaalsContact O-N 3.14Å; L1063-S1067 PolarHBondContact O-N 2.9Å |
| 1064 | I | 72.5 | Confident | 67.1 | Low | 4 Ų | 4 | 104.1 Ų | 104.1 | 2% | 0.021 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -68.7 | -39.6 | -178.2 | -64.5 | 164.2 | 0 | 0 | 0 | 110.8 | Y889 E891 L1046 V1050 P1060 A1066 S1067 I1068 | Y889-I1064 HydrophobicContact CD1-CB 4.39Å; Y889-I1064 HydrophobicContact CD1-CD1 3.25Å; Y889-I1064 HydrophobicContact CD1-CG1 4.41Å; Y889-I1064 HydrophobicContact CD1-CG2 4.26Å; Y889-I1064 HydrophobicContact CD2-CD1 3.79Å; Y889-I1064 HydrophobicContact CE1-CD1 3.79Å; Y889-I1064 HydrophobicContact CE2-CD1 4.28Å; Y889-I1064 HydrophobicContact CG-CD1 3.23Å; E891-I1064 HydrophobicContact CB-CG2 4.47Å; E891-I1064 HydrophobicContact CG-CG2 4.38Å; L1046-I1064 HydrophobicContact CD1-CG1 4.42Å; V1050-I1064 HydrophobicContact CG2-CD1 4.02Å; V1050-I1064 HydrophobicContact CG2-CG1 4.37Å; P1060-I1064 HydrophobicContact CB-CD1 4.35Å; P1060-I1064 PolarHBondContact O-N 3.12Å; I1064-A1066 PolarHBondContact O-N 3.4Å; I1064-S1067 PolarHBondContact O-N 2.93Å; I1064-S1067 PolarHBondContact O-OG 3.4Å; I1064-I1068 HydrophobicContact CG2-CD1 3.69Å; I1064-I1068 HydrophobicContact CG2-CG1 4.39Å; I1064-I1068 WeakPolarHBondContact O-CD1 3.38Å; I1064-I1068 WeakPolarHBondContact O-CG1 3.35Å; I1064-I1068 PolarHBondContact O-N 3.22Å |
| 1065 | R | 69.9 | Low | 65.4 | Low | 180 Ų | 180 | 107 Ų | 107 | 68% | 0.679 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.4 | -32.8 | 172.1 | -81.7 | -175.2 | -87 | -172.4 | -10.4 | 112.9 | G1061 R1062 | G1061-R1065 WeakPolarHBondContact O-CB 3.17Å; G1061-R1065 WeakPolarHBondContact O-CG 3.44Å; G1061-R1065 PolarHBondContact O-N 3.11Å; G1061-R1065 PolarHBondContact O-NE 3.44Å; R1062-R1065 PolarHBondContact O-N 3.38Å |
| 1066 | A | 64.3 | Low | 63.8 | Low | 67 Ų | 67 | 103.8 Ų | 103.8 | 55% | 0.554 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.3 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | R1062 L1063 I1064 I1068 | R1062-A1066 PolarHBondContact O-N 3.21Å; R1062-A1066 VanDerWaalsContact O-N 3.09Å; L1063-A1066 WeakPolarHBondContact O-CB 3.38Å; L1063-A1066 PolarHBondContact O-N 3.34Å; L1063-A1066 VanDerWaalsContact O-N 3.14Å; I1064-A1066 PolarHBondContact O-N 3.4Å; A1066-I1068 VanDerWaalsContact C-N 3.33Å; A1066-I1068 PolarHBondContact O-N 3.36Å |
| 1067 | S | 65 | Low | 62.2 | Low | 72 Ų | 72 | 98.7 Ų | 98.7 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.7 | -27.4 | 177.5 | 68.1 | 0 | 0 | 0 | 0 | 113.3 | L1063 I1064 | L1063-S1067 PolarHBondContact O-N 2.9Å; I1064-S1067 PolarHBondContact O-N 2.93Å; I1064-S1067 PolarHBondContact O-OG 3.4Å |
| 1068 | I | 60.2 | Low | 60.7 | Low | 78 Ų | 78 | 91.9 Ų | 91.9 | 40% | 0.4 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -76.1 | -23.7 | -180 | -67.8 | 163.2 | 0 | 0 | 0 | 112.9 | E891 I1064 A1066 P1070 | E891-I1068 HydrophobicContact CG-CD1 3.88Å; E891-I1068 HydrophobicContact CG-CG1 4.26Å; E891-I1068 WeakPolarHBondContact OE1-CD1 3.48Å; I1064-I1068 HydrophobicContact CG2-CD1 3.69Å; I1064-I1068 HydrophobicContact CG2-CG1 4.39Å; I1064-I1068 WeakPolarHBondContact O-CD1 3.38Å; I1064-I1068 WeakPolarHBondContact O-CG1 3.35Å; I1064-I1068 PolarHBondContact O-N 3.22Å; A1066-I1068 VanDerWaalsContact C-N 3.33Å; A1066-I1068 PolarHBondContact O-N 3.36Å; I1068-P1070 WeakPolarHBondContact O-CD 3.49Å |
| 1069 | R | 46.5 | Very low | 59.2 | Low | 215 Ų | 215 | 89.6 Ų | 89.6 | 81% | 0.811 | 45% | 0.452 | S | S | * | . | trans | -51.6 | 105.1 | -172.3 | -85.5 | -169.4 | 179.6 | -174.1 | 0.5 | 111.1 | ||||
| 1070 | P | 47.4 | Very low | 58 | Low | 72 Ų | 72 | 92.6 Ų | 92.6 | 47% | 0.468 | 46% | 0.457 | S | S | . | . | trans | -75.5 | 147.4 | 177.8 | 23.1 | -15.5 | 0 | 0 | 0 | 108.2 | I1068 S1072 | I1068-P1070 WeakPolarHBondContact O-CD 3.49Å; P1070-S1072 PolarHBondContact O-N 2.8Å | ||
| 1071 | K | 41.1 | Very low | 56.9 | Low | 219 Ų | 219 | 97.6 Ų | 97.6 | 95% | 0.952 | 48% | 0.482 | S | S | * | . | trans | -66.7 | 55.8 | 165 | -71.6 | -178.9 | 174.6 | 179.9 | 0 | 110.3 | T1073 | K1071-T1073 PolarHBondContact O-N 3.44Š| ||
| 1072 | S | 44.1 | Very low | 55.5 | Low | 58 Ų | 58 | 98.1 Ų | 98.1 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -89.1 | 15.6 | -158.9 | 64 | 0 | 0 | 0 | 0 | 116.4 | P1070 D1074 R1075 | P1070-S1072 PolarHBondContact O-N 2.8Å; S1072-D1074 VanDerWaalsContact C-N 3.28Å; S1072-D1074 PolarHBondContact O-N 3.48Å; S1072-R1075 PolarHBondContact O-N 3.42Å |
| 1073 | T | 42.8 | Very low | 54.4 | Low | 130 Ų | 130 | 93.3 Ų | 93.3 | 80% | 0.798 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -71.6 | -19.4 | -178.2 | -20.1 | 0 | 0 | 0 | 0 | 113.6 | K1071 | K1071-T1073 PolarHBondContact O-N 3.44Š|
| 1074 | D | 49.2 | Very low | 53 | Low | 124 Ų | 124 | 100.1 Ų | 100.1 | 66% | 0.663 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -93.8 | -11.2 | 177.8 | -84.2 | -29.2 | 0 | 0 | 0 | 115.1 | S1072 | S1072-D1074 VanDerWaalsContact C-N 3.28Å; S1072-D1074 PolarHBondContact O-N 3.48Å |
| 1075 | R | 49.7 | Very low | 51.7 | Low | 123 Ų | 123 | 103.6 Ų | 103.6 | 46% | 0.464 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -74.4 | -38.7 | -171.8 | -74.5 | -175.3 | 169.4 | -176.8 | -7.1 | 113 | S1072 | S1072-R1075 PolarHBondContact O-N 3.42Å |
| 1076 | S | 49.5 | Very low | 50.5 | Low | 69 Ų | 69 | 100 Ų | 100 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.8 | -24.7 | -179.8 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | R1080 | S1076-R1080 WeakPolarHBondContact O-CB 3.44Å; S1076-R1080 PolarHBondContact O-N 2.99Å |
| 1077 | A | 51.5 | Low | 49.3 | Very low | 41 Ų | 41 | 99.1 Ų | 99.1 | 34% | 0.339 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.3 | -43.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | R1080 I1081 | A1077-R1080 CarbonylContact O-C 3.53Å; A1077-R1080 WeakPolarHBondContact O-CA 3.23Å; A1077-R1080 WeakPolarHBondContact O-CB 3.34Å; A1077-R1080 PolarHBondContact O-N 3.17Å; A1077-R1080 VanDerWaalsContact O-N 3.14Å; A1077-I1081 VanDerWaalsContact O-CG1 3.31Å; A1077-I1081 WeakPolarHBondContact O-CG1 3.34Å; A1077-I1081 PolarHBondContact O-N 3.04Å |
| 1078 | F | 50.4 | Low | 48.1 | Very low | 40 Ų | 40 | 98.8 Ų | 98.8 | 18% | 0.175 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 179.5 | 178.4 | -98.6 | 0 | 0 | 0 | 113.2 | D694 R698 F705 R1080 I1081 M1082 | D694-F1078 WeakPolarHBondContact O-CZ 3.41Å; R698-F1078 VanDerWaalsContact NH1-CB 3.28Å; R698-F1078 VanDerWaalsContact NH1-CG 3.27Å; F705-F1078 HydrophobicContact CE2-CE1 4.45Å; F705-F1078 HydrophobicContact CZ-CE1 4.32Å; F1078-R1080 PolarHBondContact O-N 3.13Å; F1078-I1081 CarbonylContact O-C 3.55Å; F1078-I1081 PolarHBondContact O-N 2.94Å; F1078-M1082 HydrophobicContact CE1-CE 3.77Å; F1078-M1082 HydrophobicContact CE1-SD 4.45Å; F1078-M1082 HydrophobicContact CZ-CE 3.73Å; F1078-M1082 PolarHBondContact O-N 3.44Å |
| 1079 | V | 53.1 | Low | 47.1 | Very low | 32 Ų | 32 | 101.8 Ų | 101.8 | 19% | 0.194 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -57.9 | -35.1 | 175.1 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | R1083 | V1079-R1083 WeakPolarHBondContact O-CB 3.44Å; V1079-R1083 WeakPolarHBondContact O-CG 3.4Å; V1079-R1083 PolarHBondContact O-N 3.43Å |
| 1080 | R | 53.5 | Low | 46.7 | Very low | 154 Ų | 154 | 95.9 Ų | 95.9 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -73 | -34.7 | 175.9 | -145.8 | -178.5 | -67 | 164.8 | -3.3 | 112.6 | S1076 A1077 F1078 R1084 | S1076-R1080 WeakPolarHBondContact O-CB 3.44Å; S1076-R1080 PolarHBondContact O-N 2.99Å; A1077-R1080 CarbonylContact O-C 3.53Å; A1077-R1080 WeakPolarHBondContact O-CA 3.23Å; A1077-R1080 WeakPolarHBondContact O-CB 3.34Å; A1077-R1080 PolarHBondContact O-N 3.17Å; A1077-R1080 VanDerWaalsContact O-N 3.14Å; F1078-R1080 PolarHBondContact O-N 3.13Å; R1080-R1084 WeakPolarHBondContact O-CB 3.46Å; R1080-R1084 VanDerWaalsContact O-CG 3.29Å; R1080-R1084 WeakPolarHBondContact O-CG 3.47Å; R1080-R1084 PolarHBondContact O-N 3.32Å; R1080-R1084 VanDerWaalsContact O-N 3.14Å |
| 1081 | I | 54.5 | Low | 46.2 | Very low | 108 Ų | 108 | 98.8 Ų | 98.8 | 55% | 0.554 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.9 | -47.8 | 176.4 | -69.5 | 163.6 | 0 | 0 | 0 | 110.6 | A1077 F1078 R1083 R1084 S1085 | A1077-I1081 VanDerWaalsContact O-CG1 3.31Å; A1077-I1081 WeakPolarHBondContact O-CG1 3.34Å; A1077-I1081 PolarHBondContact O-N 3.04Å; F1078-I1081 CarbonylContact O-C 3.55Å; F1078-I1081 PolarHBondContact O-N 2.94Å; I1081-R1083 VanDerWaalsContact C-N 3.35Å; I1081-R1083 PolarHBondContact O-N 3.16Å; I1081-R1084 CarbonylContact O-C 3.53Å; I1081-R1084 WeakPolarHBondContact O-CA 3.45Å; I1081-R1084 WeakPolarHBondContact O-CB 3.39Å; I1081-R1084 PolarHBondContact O-N 3.22Å; I1081-S1085 PolarHBondContact O-N 3.39Å |
| 1082 | M | 49.9 | Very low | 45.9 | Very low | 15 Ų | 15 | 95 Ų | 95 | 7% | 0.074 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 177.9 | -161.4 | -159.3 | -110.3 | 0 | 0 | 110.9 | D694 F705 F1078 R1084 S1085 M1086 | D694-M1082 HydrophobicContact CB-CE 3.75Å; F705-M1082 HydrophobicContact CE1-CE 4.42Å; F705-M1082 HydrophobicContact CE1-SD 3.77Å; F705-M1082 HydrophobicContact CZ-CE 3.9Å; F705-M1082 HydrophobicContact CZ-SD 3.64Å; F1078-M1082 HydrophobicContact CE1-CE 3.77Å; F1078-M1082 HydrophobicContact CE1-SD 4.45Å; F1078-M1082 HydrophobicContact CZ-CE 3.73Å; F1078-M1082 PolarHBondContact O-N 3.44Å; M1082-R1084 PolarHBondContact O-N 2.91Å; M1082-S1085 PolarHBondContact O-N 2.87Å; M1082-M1086 HydrophobicContact CG-CE 4.36Å; M1082-M1086 PolarHBondContact O-N 2.96Å; M1082-M1086 HydrophobicContact SD-CE 4.43Å |
| 1083 | R | 51 | Low | 45.7 | Very low | 116 Ų | 116 | 99.6 Ų | 99.6 | 44% | 0.438 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.7 | -29 | 170.5 | -78.7 | 176.8 | -173.8 | -175.5 | 3.3 | 113.5 | S672 V1079 I1081 | S672-R1083 PolarHBondContact OG-NH2 3.49Å; V1079-R1083 WeakPolarHBondContact O-CB 3.44Å; V1079-R1083 WeakPolarHBondContact O-CG 3.4Å; V1079-R1083 PolarHBondContact O-N 3.43Å; I1081-R1083 VanDerWaalsContact C-N 3.35Å; I1081-R1083 PolarHBondContact O-N 3.16Å |
| 1084 | R | 47 | Very low | 45.4 | Very low | 185 Ų | 185 | 100.6 Ų | 100.6 | 70% | 0.698 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -84.5 | -35.4 | 176.2 | -79 | 177.1 | 174.1 | -172.5 | -2.9 | 112.4 | R1080 I1081 M1082 G1087 S1088 | R1080-R1084 WeakPolarHBondContact O-CB 3.46Å; R1080-R1084 VanDerWaalsContact O-CG 3.29Å; R1080-R1084 WeakPolarHBondContact O-CG 3.47Å; R1080-R1084 PolarHBondContact O-N 3.32Å; R1080-R1084 VanDerWaalsContact O-N 3.14Å; I1081-R1084 CarbonylContact O-C 3.53Å; I1081-R1084 WeakPolarHBondContact O-CA 3.45Å; I1081-R1084 WeakPolarHBondContact O-CB 3.39Å; I1081-R1084 PolarHBondContact O-N 3.22Å; M1082-R1084 PolarHBondContact O-N 2.91Å; R1084-G1087 PolarHBondContact O-N 2.89Å; R1084-S1088 VanDerWaalsContact O-CB 3.29Å; R1084-S1088 WeakPolarHBondContact O-CB 3.3Å; R1084-S1088 PolarHBondContact O-N 3.41Å |
| 1085 | S | 45.5 | Very low | 44.7 | Very low | 78 Ų | 78 | 100.1 Ų | 100.1 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.6 | -48 | 177.3 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | I1081 M1082 G1087 S1088 | I1081-S1085 PolarHBondContact O-N 3.39Å; M1082-S1085 PolarHBondContact O-N 2.87Å; S1085-G1087 PolarHBondContact O-N 3.48Å; S1085-S1088 PolarHBondContact O-N 2.65Å |
| 1086 | M | 44.1 | Very low | 44.1 | Very low | 104 Ų | 104 | 102.2 Ų | 102.2 | 51% | 0.512 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.1 | -31.5 | 178.8 | -72.2 | -165.3 | -70.9 | 0 | 0 | 113.2 | M1082 S1088 | M1082-M1086 HydrophobicContact CG-CE 4.36Å; M1082-M1086 PolarHBondContact O-N 2.96Å; M1082-M1086 HydrophobicContact SD-CE 4.43Å; M1086-S1088 PolarHBondContact O-N 3.1Å |
| 1087 | G | 40.3 | Very low | 43.1 | Very low | 49 Ų | 49 | 102.8 Ų | 102.8 | 51% | 0.505 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.9 | -4.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1084 S1085 | R1084-G1087 PolarHBondContact O-N 2.89Å; S1085-G1087 PolarHBondContact O-N 3.48Å |
| 1088 | S | 39.7 | Very low | 42.3 | Very low | 64 Ų | 64 | 105.4 Ų | 105.4 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.5 | 11.1 | -169.2 | -161.7 | 0 | 0 | 0 | 0 | 115.4 | R1084 S1085 M1086 A1090 L1091 | R1084-S1088 VanDerWaalsContact O-CB 3.29Å; R1084-S1088 WeakPolarHBondContact O-CB 3.3Å; R1084-S1088 PolarHBondContact O-N 3.41Å; S1085-S1088 PolarHBondContact O-N 2.65Å; M1086-S1088 PolarHBondContact O-N 3.1Å; S1088-A1090 PolarHBondContact O-N 2.83Å; S1088-L1091 PolarHBondContact O-N 2.99Å |
| 1089 | Q | 38.8 | Very low | 41.3 | Very low | 141 Ų | 141 | 109.1 Ų | 109.1 | 66% | 0.659 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -10.3 | 174.3 | -79.2 | -169.1 | -13.3 | 0 | 0 | 114.2 | ||
| 1090 | A | 38.2 | Very low | 40.3 | Very low | 92 Ų | 92 | 114.1 Ų | 114.1 | 76% | 0.76 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -13.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1088 | S1088-A1090 PolarHBondContact O-N 2.83Š|
| 1091 | L | 35.4 | Very low | 39 | Very low | 133 Ų | 133 | 117.9 Ų | 117.9 | 70% | 0.696 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -11.6 | -172.7 | -120.5 | 145.6 | 0 | 0 | 0 | 114.2 | S1088 | S1088-L1091 PolarHBondContact O-N 2.99Š|
| 1092 | L | 35.9 | Very low | 37.9 | Very low | 138 Ų | 138 | 118.5 Ų | 118.5 | 72% | 0.723 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -83.3 | -16 | -179.8 | -139.5 | 89.1 | 0 | 0 | 0 | 113.8 | L1094 | L1092-L1094 PolarHBondContact O-N 3.46Š|
| 1093 | N | 39 | Very low | 37 | Very low | 156 Ų | 156 | 124.5 Ų | 124.5 | 83% | 0.834 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -81.9 | 6.1 | -179.8 | -76.1 | -17.5 | 0 | 0 | 0 | 114.5 | ||
| 1094 | L | 37.7 | Very low | 35.9 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -104 | -5.2 | -178 | -118 | 131.2 | 0 | 0 | 0 | 114.5 | L1092 | L1092-L1094 PolarHBondContact O-N 3.46Š|
| 1095 | C | 34.7 | Very low | 35.1 | Very low | 114 Ų | 114 | 121.2 Ų | 121.2 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -118 | 3.2 | -171.9 | -76 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1096 | L | 35.4 | Very low | 34.2 | Very low | 167 Ų | 167 | 123 Ų | 123 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -130 | 83.1 | 178.2 | -76.5 | 162.8 | 0 | 0 | 0 | 111.5 | ||||
| 1097 | G | 30 | Very low | 33.7 | Very low | 82 Ų | 82 | 123.9 Ų | 123.9 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -84 | 115.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1098 | A | 33.9 | Very low | 33.1 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -172.5 | 100.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1099 | S | 30 | Very low | 32.6 | Very low | 118 Ų | 118 | 130 Ų | 130 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 34.6 | 103.2 | 136.9 | 172.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1100 | V | 31.8 | Very low | 32.1 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | -158.1 | 123.9 | 124.5 | 171 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 1101 | R | 26.8 | Very low | 31.6 | Very low | 232 Ų | 232 | 132 Ų | 132 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | trans | -77.3 | 136.1 | 169 | -77.1 | 171.9 | 166.4 | 167.5 | -4.8 | 109.8 | ||||
| 1102 | T | 31.5 | Very low | 31.1 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | 175.2 | 126.2 | 123 | 36.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1103 | N | 30.3 | Very low | 30.8 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | 70.9 | 99.6 | 144.3 | -63.7 | -4.1 | 0 | 0 | 0 | 122.4 | ||||
| 1104 | T | 27.2 | Very low | 30.3 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | 49.6 | 85.8 | 124.8 | 59.7 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1105 | A | 30.8 | Very low | 30.2 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | -170.9 | 120.3 | 135.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | P1107 | A1105-P1107 WeakPolarHBondContact O-CD 3.39Š| ||
| 1106 | S | 27.4 | Very low | 30.8 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 120.5 | 179.7 | 48.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1107 | P | 31.8 | Very low | 31.7 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 121.4 | 162.5 | 28.8 | -16 | 0 | 0 | 0 | 108.8 | A1105 | A1105-P1107 WeakPolarHBondContact O-CD 3.39Š|
| 1108 | T | 28.3 | Very low | 33.3 | Very low | 129 Ų | 129 | 122.4 Ų | 122.4 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 134.5 | 173 | 40.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1109 | P | 29.3 | Very low | 34.6 | Very low | 113 Ų | 113 | 117.9 Ų | 117.9 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 144.9 | -178.1 | 29.6 | -32.2 | 0 | 0 | 0 | 111.2 | T1111 | P1109-T1111 PolarHBondContact O-N 3.39Å; P1109-T1111 VanDerWaalsContact O-N 3.1Å |
| 1110 | I | 28.3 | Very low | 36.7 | Very low | 148 Ų | 148 | 113.1 Ų | 113.1 | 76% | 0.759 | 64% | 0.635 | S | S | * | * | trans | -53.7 | 111.2 | 173.3 | -64.4 | 160.8 | 0 | 0 | 0 | 108.4 | D1112 | I1110-D1112 PolarHBondContact O-N 3.42Š| ||
| 1111 | T | 27.5 | Very low | 38.3 | Very low | 126 Ų | 126 | 106.7 Ų | 106.7 | 77% | 0.773 | 60% | 0.596 | S | S | * | * | trans | -71.4 | 110 | 177.2 | 30.8 | 0 | 0 | 0 | 0 | 109.5 | P1109 S1113 | P1109-T1111 PolarHBondContact O-N 3.39Å; P1109-T1111 VanDerWaalsContact O-N 3.1Å; T1111-S1113 PolarHBondContact O-N 3.38Å | ||
| 1112 | D | 25.7 | Very low | 40.3 | Very low | 109 Ų | 109 | 96.1 Ų | 96.1 | 58% | 0.583 | 56% | 0.557 | S | S | * | * | trans | -51.8 | 99.6 | 161.9 | -153.1 | 3.1 | 0 | 0 | 0 | 107.6 | I1110 R1114 | I1110-D1112 PolarHBondContact O-N 3.42Å; D1112-R1114 PolarHBondContact O-N 2.85Å | ||
| 1113 | S | 28.9 | Very low | 41.9 | Very low | 95 Ų | 95 | 90.6 Ų | 90.6 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | trans | -76.2 | 43.3 | -175.3 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | T1111 | T1111-S1113 PolarHBondContact O-N 3.38Š| ||
| 1114 | R | 30 | Very low | 43.8 | Very low | 184 Ų | 184 | 84.3 Ų | 84.3 | 69% | 0.694 | 49% | 0.489 | S | S | * | . | trans | -90.4 | 33.4 | 155.9 | -72.6 | -169.5 | -179.3 | 167.1 | 7.3 | 111.5 | D1112 T1116 | D1112-R1114 PolarHBondContact O-N 2.85Å; R1114-T1116 PolarHBondContact O-N 2.9Å | ||
| 1115 | Q | 34.2 | Very low | 45.5 | Very low | 165 Ų | 165 | 80.9 Ų | 80.9 | 77% | 0.771 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -64.5 | 100.8 | 145.4 | -84 | -177.4 | -20 | 0 | 0 | 104.7 | D1117 | Q1115-D1117 VanDerWaalsContact C-N 3.34Å; Q1115-D1117 PolarHBondContact O-N 2.99Å |
| 1116 | T | 47.1 | Very low | 46.7 | Very low | 80 Ų | 80 | 78.8 Ų | 78.8 | 49% | 0.491 | 44% | 0.437 | S | S | . | . | trans | -48.4 | 102.8 | 170.4 | 35.8 | 0 | 0 | 0 | 0 | 107 | R1114 H1118 | R1114-T1116 PolarHBondContact O-N 2.9Å; T1116-H1118 PolarHBondContact O-CD2 2.81Å; T1116-H1118 PolarHBondContact O-N 2.95Å; T1116-H1118 PolarHBondContact O-NE2 3.38Å; T1116-H1118 PolarHBondContact OG1-CE1 3.17Å; T1116-H1118 VanDerWaalsContact OG1-CE1 3.28Å; T1116-H1118 PolarHBondContact OG1-NE2 3.28Å | ||
| 1117 | D | 54.9 | Low | 48.2 | Very low | 93 Ų | 93 | 81.2 Ų | 81.2 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | trans | -68.9 | 101.2 | -177.3 | -149.6 | -1.8 | 0 | 0 | 0 | 106.4 | Q1115 G1119 | Q1115-D1117 VanDerWaalsContact C-N 3.34Å; Q1115-D1117 PolarHBondContact O-N 2.99Å; D1117-G1119 PolarHBondContact O-N 3.23Å | ||
| 1118 | H | 62.8 | Low | 49.4 | Very low | 13 Ų | 13 | 76.5 Ų | 76.5 | 6% | 0.06 | 41% | 0.41 | C | S | . | . | trans | -77.9 | 26.3 | -172.1 | -64.8 | -74.4 | 0 | 0 | 0 | 112.5 | D540 M558 L561 E562 A565 T571 T1116 Y1120 | D540-H1118 WeakPolarHBondContact OD2-CB 3.36Å; D540-H1118 IonicContact OD2-CD2 3.43Å; D540-H1118 PolarHBondContact OD2-CD2 3.31Å; D540-H1118 IonicContact OD2-CG 3.63Å; D540-H1118 VanDerWaalsContact OD2-CG 3.29Å; M558-H1118 WeakPolarHBondContact CE-NE2 3.44Å; L561-H1118 HydrophobicContact CB-CB 4.28Å; E562-H1118 VanDerWaalsContact CG-CE1 3.48Å; E562-H1118 WeakPolarHBondContact CG-CE1 3.37Å; E562-H1118 VanDerWaalsContact CG-ND1 3.31Å; E562-H1118 WeakPolarHBondContact CG-ND1 3.46Å; E562-H1118 IonicContact OE1-CE1 2.73Å; A565-H1118 VanDerWaalsContact CB-C 3.45Å; T571-H1118 PolarHBondContact OG1-O 3.08Å; T1116-H1118 PolarHBondContact O-CD2 2.81Å; T1116-H1118 PolarHBondContact O-N 2.95Å; T1116-H1118 PolarHBondContact O-NE2 3.38Å; T1116-H1118 PolarHBondContact OG1-CE1 3.17Å; T1116-H1118 VanDerWaalsContact OG1-CE1 3.28Å; T1116-H1118 PolarHBondContact OG1-NE2 3.28Å; H1118-Y1120 PolarHBondContact O-N 3.44Å | ||
| 1119 | G | 62.7 | Low | 51 | Low | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | trans | 77.6 | 13.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R570 T571 N659 D1117 A1121 | R570-G1119 WeakPolarHBondContact CA-O 3.43Å; T571-G1119 PolarHBondContact N-O 2.94Å; T571-G1119 VanDerWaalsContact OG1-C 3.23Å; T571-G1119 PolarHBondContact OG1-O 3.28Å; N659-G1119 PolarHBondContact ND2-O 3.32Å; N659-G1119 VanDerWaalsContact ND2-O 3.08Å; D1117-G1119 PolarHBondContact O-N 3.23Å; G1119-A1121 PolarHBondContact O-N 2.87Å | ||
| 1120 | Y | 73.5 | Confident | 52.7 | Low | 17 Ų | 17 | 66.9 Ų | 66.9 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -63.3 | 122.8 | -177.9 | 171.4 | -102.1 | 0 | 0 | 0 | 111.4 | F514 K519 A539 T571 L572 E655 H1118 F1122 | F514-Y1120 VanDerWaalsContact CE2-OH 3.24Å; F514-Y1120 WeakPolarHBondContact CE2-OH 3.21Å; K519-Y1120 HydrophobicContact CB-CE1 4.12Å; K519-Y1120 HydrophobicContact CD-CE1 4.1Å; K519-Y1120 HydrophobicContact CG-CE1 4.34Å; K519-Y1120 PolarHBondContact O-OH 2.82Å; A539-Y1120 HydrophobicContact CB-CD1 3.66Å; A539-Y1120 HydrophobicContact CB-CD2 3.46Å; A539-Y1120 VanDerWaalsContact CB-CD2 3.46Å; A539-Y1120 HydrophobicContact CB-CE1 3.75Å; A539-Y1120 HydrophobicContact CB-CE2 3.53Å; A539-Y1120 HydrophobicContact CB-CG 3.49Å; A539-Y1120 VanDerWaalsContact CB-CG 3.49Å; T571-Y1120 WeakPolarHBondContact O-CD2 3.47Å; T571-Y1120 PolarHBondContact OG1-N 3.35Å; L572-Y1120 HydrophobicContact CD2-CD2 3.95Å; L572-Y1120 HydrophobicContact CD2-CE2 3.51Å; E655-Y1120 VanDerWaalsContact CB-O 3.32Å; E655-Y1120 WeakPolarHBondContact CB-O 3.28Å; H1118-Y1120 PolarHBondContact O-N 3.44Å; Y1120-F1122 HydrophobicContact CE2-CB 4.17Å |
| 1121 | A | 65.9 | Low | 54.9 | Low | 3 Ų | 3 | 61.8 Ų | 61.8 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | trans | -148.6 | 130.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | R570 E655 G1119 | R570-A1121 HydrophobicContact CB-CB 4.12Å; R570-A1121 HydrophobicContact CG-CB 3.88Å; E655-A1121 HydrophobicContact CB-CB 4.44Å; G1119-A1121 PolarHBondContact O-N 2.87Å | ||
| 1122 | F | 68.6 | Low | 57.2 | Low | 11 Ų | 11 | 56.6 Ų | 56.6 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | trans | -137.8 | 118.4 | 176.4 | -165.5 | -111 | 0 | 0 | 0 | 110.4 | D472 E473 F514 L572 Y1120 Q1124 | D472-F1122 HydrophobicContact CB-CD2 4.03Å; D472-F1122 HydrophobicContact CB-CE2 3.9Å; E473-F1122 HydrophobicContact CG-CE2 4.24Å; E473-F1122 HydrophobicContact CG-CZ 3.79Å; F514-F1122 HydrophobicContact CD1-CD1 4.19Å; F514-F1122 HydrophobicContact CD1-CE1 4.43Å; F514-F1122 AromaticContact CD2-CD1 3.69Å; F514-F1122 HydrophobicContact CD2-CD1 3.69Å; F514-F1122 AromaticContact CD2-CE1 3.94Å; F514-F1122 HydrophobicContact CD2-CE1 3.94Å; F514-F1122 HydrophobicContact CE1-CD1 4.01Å; F514-F1122 HydrophobicContact CE2-CB 4.29Å; F514-F1122 AromaticContact CE2-CD1 3.47Å; F514-F1122 HydrophobicContact CE2-CD1 3.47Å; F514-F1122 VanDerWaalsContact CE2-CD1 3.47Å; F514-F1122 HydrophobicContact CE2-CE1 4.2Å; F514-F1122 HydrophobicContact CE2-CG 4.22Å; F514-F1122 HydrophobicContact CG-CD1 4.05Å; F514-F1122 HydrophobicContact CG-CE1 4.06Å; F514-F1122 HydrophobicContact CZ-CB 4.23Å; F514-F1122 AromaticContact CZ-CD1 3.65Å; F514-F1122 HydrophobicContact CZ-CD1 3.65Å; F514-F1122 HydrophobicContact CZ-CG 4.4Å; L572-F1122 HydrophobicContact CD1-CD2 3.77Å; L572-F1122 HydrophobicContact CD1-CE2 3.95Å; L572-F1122 HydrophobicContact CD2-CB 4.17Å; L572-F1122 HydrophobicContact CD2-CD2 3.84Å; L572-F1122 HydrophobicContact CD2-CG 4.27Å; L572-F1122 HydrophobicContact CG-CD2 4.4Å; Y1120-F1122 HydrophobicContact CE2-CB 4.17Å; F1122-Q1124 HydrophobicContact CD1-CB 3.9Å; F1122-Q1124 HydrophobicContact CE1-CB 3.76Å; F1122-Q1124 HydrophobicContact CE1-CG 4.31Å | ||
| 1123 | S | 65.7 | Low | 59.6 | Low | 5 Ų | 5 | 53.1 Ų | 53.1 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | trans | -88 | 104.4 | 179 | -73.3 | 0 | 0 | 0 | 0 | 109.8 | S470 D472 R570 | S470-S1123 WeakPolarHBondContact CB-O 3.2Å; S470-S1123 PolarHBondContact OG-O 3.42Å; D472-S1123 PolarHBondContact OD2-N 2.87Å; R570-S1123 PolarHBondContact NH1-OG 3.28Å | ||
| 1124 | Q | 68.4 | Low | 62 | Low | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | trans | -148.4 | 140.5 | 174.9 | -172.8 | 68.7 | 43.4 | 0 | 0 | 109.8 | S469 F514 F1122 Q1132 | S469-Q1124 PolarHBondContact OG-NE2 3.47Å; F514-Q1124 HydrophobicContact CB-CG 4.37Å; F514-Q1124 HydrophobicContact CD1-CB 3.63Å; F514-Q1124 HydrophobicContact CD1-CG 3.81Å; F514-Q1124 HydrophobicContact CE1-CB 3.92Å; F514-Q1124 HydrophobicContact CG-CB 4.36Å; F514-Q1124 HydrophobicContact CG-CG 4.34Å; F1122-Q1124 HydrophobicContact CD1-CB 3.9Å; F1122-Q1124 HydrophobicContact CE1-CB 3.76Å; F1122-Q1124 HydrophobicContact CE1-CG 4.31Å; Q1124-Q1132 VanDerWaalsContact CG-NE2 3.26Å | ||
| 1125 | E | 63.4 | Low | 64.2 | Low | 63 Ų | 63 | 45.2 Ų | 45.2 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | trans | -80.5 | 130 | 175.2 | -164.1 | 177.5 | -161.4 | 0 | 0 | 110.4 | ||||
| 1126 | E | 57.5 | Low | 66.4 | Low | 51 Ų | 51 | 37.4 Ų | 37.4 | 24% | 0.238 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -102.3 | -19.8 | -169.1 | -64.1 | 169.5 | -157.5 | 0 | 0 | 113.4 | S516 K653 | S516-E1126 WeakPolarHBondContact CA-OE1 3.31Å; S516-E1126 WeakPolarHBondContact CA-OE2 3.34Å; S516-E1126 WeakPolarHBondContact CB-OE1 3.25Å; S516-E1126 WeakPolarHBondContact CB-OE2 3.45Å; S516-E1126 PolarHBondContact N-OE1 2.85Å; S516-E1126 VanDerWaalsContact N-OE1 3.08Å; S516-E1126 PolarHBondContact N-OE2 2.92Å; S516-E1126 PolarHBondContact OG-OE2 3.38Å; K653-E1126 IonicContact NZ-OE1 2.72Å; K653-E1126 PolarHBondContact NZ-OE1 3.32Å; K653-E1126 VanDerWaalsContact NZ-OE1 3.13Å |
| 1127 | H | 57.9 | Low | 68.1 | Low | 167 Ų | 167 | 38 Ų | 38 | 77% | 0.773 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -127.5 | 32.8 | -178.2 | -59.8 | -50.7 | 0 | 0 | 0 | 112 | ||
| 1128 | G | 56.8 | Low | 69.3 | Low | 24 Ų | 24 | 34.8 Ų | 34.8 | 25% | 0.247 | 18% | 0.184 | C | C | . | . | trans | -56.6 | 154.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1130 | G1128-V1130 PolarHBondContact O-N 3.37Š| ||
| 1129 | A | 61 | Low | 70.1 | Confident | 29 Ų | 29 | 34.6 Ų | 34.6 | 24% | 0.24 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -55.7 | -23.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q155 T205 | Q155-A1129 HydrophobicContact CB-CB 3.83Å; T205-A1129 HydrophobicContact CG2-CB 3.87Å |
| 1130 | V | 67 | Low | 71.1 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -130.4 | 135.5 | -179.4 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | M137 L153 Q155 G1128 Q1134 | M137-V1130 HydrophobicContact CG-CG2 4.13Å; M137-V1130 HydrophobicContact SD-CB 4.28Å; M137-V1130 HydrophobicContact SD-CG1 4.16Å; M137-V1130 HydrophobicContact SD-CG2 3.77Å; L153-V1130 HydrophobicContact CD2-CB 3.43Å; L153-V1130 VanDerWaalsContact CD2-CB 3.43Å; L153-V1130 HydrophobicContact CD2-CG2 3.64Å; Q155-V1130 HydrophobicContact CB-CG2 4.38Å; Q155-V1130 HydrophobicContact CG-CG2 4.34Å; G1128-V1130 PolarHBondContact O-N 3.37Å; V1130-Q1134 HydrophobicContact CG1-CB 3.37Å; V1130-Q1134 HydrophobicContact CG1-CG 4.45Å |
| 1131 | S | 73 | Confident | 71.4 | Confident | 42 Ų | 42 | 37.3 Ų | 37.3 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | trans | -68.8 | 155.4 | 178.4 | 71.7 | 0 | 0 | 0 | 0 | 111.6 | D513 S1133 Q1134 L1135 | D513-S1131 WeakPolarHBondContact OD2-CB 3.38Å; S1131-S1133 PolarHBondContact O-N 3.24Å; S1131-S1133 PolarHBondContact OG-OG 3.11Å; S1131-Q1134 WeakPolarHBondContact O-CB 3.29Å; S1131-Q1134 PolarHBondContact O-N 3.38Å; S1131-Q1134 WeakPolarHBondContact OG-CB 3.31Å; S1131-Q1134 VanDerWaalsContact OG-CG 3.24Å; S1131-Q1134 WeakPolarHBondContact OG-CG 3.21Å; S1131-Q1134 PolarHBondContact OG-N 3.02Å; S1131-L1135 PolarHBondContact O-N 3.49Å | ||
| 1132 | Q | 75.9 | Confident | 72.1 | Confident | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.6 | -39.6 | 179 | -67.2 | 162.6 | 20.9 | 0 | 0 | 111.3 | T427 D513 F514 Q1124 L1135 I1136 | T427-Q1132 HydrophobicContact CG2-CB 4Å; T427-Q1132 HydrophobicContact CG2-CG 4.11Å; D513-Q1132 HydrophobicContact CB-CB 4.25Å; D513-Q1132 WeakPolarHBondContact OD1-CB 3.35Å; F514-Q1132 PolarHBondContact O-NE2 3.26Å; Q1124-Q1132 VanDerWaalsContact CG-NE2 3.26Å; Q1132-L1135 WeakPolarHBondContact O-CB 3.22Å; Q1132-L1135 PolarHBondContact O-N 2.83Å; Q1132-I1136 WeakPolarHBondContact O-CG1 3.5Å; Q1132-I1136 PolarHBondContact O-N 3.05Å |
| 1133 | S | 76.9 | Confident | 72.6 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 172 | 46.4 | 0 | 0 | 0 | 0 | 112.7 | D513 S1131 I1136 R1137 | D513-S1133 VanDerWaalsContact OD1-CB 3.3Å; D513-S1133 WeakPolarHBondContact OD1-CB 3.43Å; D513-S1133 PolarHBondContact OD1-N 2.84Å; D513-S1133 PolarHBondContact OD1-OG 2.87Å; D513-S1133 WeakPolarHBondContact OD2-CB 3.22Å; D513-S1133 PolarHBondContact OD2-N 2.85Å; D513-S1133 PolarHBondContact OD2-OG 2.94Å; S1131-S1133 PolarHBondContact O-N 3.24Å; S1131-S1133 PolarHBondContact OG-OG 3.11Å; S1133-I1136 PolarHBondContact O-N 2.69Å; S1133-R1137 VanDerWaalsContact O-CG 3.27Å; S1133-R1137 WeakPolarHBondContact O-CG 3.45Å; S1133-R1137 PolarHBondContact O-N 3.28Å |
| 1134 | Q | 78.2 | Confident | 73.1 | Confident | 102 Ų | 102 | 61.8 Ų | 61.8 | 48% | 0.477 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 176.8 | -76.5 | 171.9 | -13.3 | 0 | 0 | 111.8 | V1130 S1131 I1136 R1137 A1138 | V1130-Q1134 HydrophobicContact CG1-CB 3.37Å; V1130-Q1134 HydrophobicContact CG1-CG 4.45Å; S1131-Q1134 WeakPolarHBondContact O-CB 3.29Å; S1131-Q1134 PolarHBondContact O-N 3.38Å; S1131-Q1134 WeakPolarHBondContact OG-CB 3.31Å; S1131-Q1134 VanDerWaalsContact OG-CG 3.24Å; S1131-Q1134 WeakPolarHBondContact OG-CG 3.21Å; S1131-Q1134 PolarHBondContact OG-N 3.02Å; Q1134-I1136 PolarHBondContact O-N 2.96Å; Q1134-R1137 PolarHBondContact O-N 3.45Å; Q1134-A1138 WeakPolarHBondContact O-CB 3.4Å; Q1134-A1138 PolarHBondContact O-N 3.37Å |
| 1135 | L | 77.1 | Confident | 73.5 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.7 | -52.3 | 175.7 | -164.7 | 76.7 | 0 | 0 | 0 | 110.4 | M137 Y139 L153 S1131 Q1132 R1137 A1138 Y1139 | M137-L1135 HydrophobicContact CE-CD1 4.48Å; M137-L1135 HydrophobicContact SD-CD1 4.04Å; Y139-L1135 WeakPolarHBondContact OH-CD1 3.19Å; L153-L1135 HydrophobicContact CD1-CD1 4.39Å; L153-L1135 HydrophobicContact CD2-CD1 4.13Å; S1131-L1135 PolarHBondContact O-N 3.49Å; Q1132-L1135 WeakPolarHBondContact O-CB 3.22Å; Q1132-L1135 PolarHBondContact O-N 2.83Å; L1135-R1137 VanDerWaalsContact C-N 3.25Å; L1135-R1137 PolarHBondContact O-N 3.38Å; L1135-A1138 PolarHBondContact O-N 2.96Å; L1135-A1138 VanDerWaalsContact O-N 3.12Å; L1135-Y1139 HydrophobicContact CD1-CD2 4.35Å; L1135-Y1139 HydrophobicContact CD1-CE2 3.7Å; L1135-Y1139 HydrophobicContact CG-CD2 4.28Å; L1135-Y1139 HydrophobicContact CG-CE2 4.05Å; L1135-Y1139 WeakPolarHBondContact O-CD2 3.49Å; L1135-Y1139 PolarHBondContact O-N 3.46Å |
| 1136 | I | 80.4 | Confident | 74.3 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.6 | -37.3 | 179.9 | -69.2 | 167.3 | 0 | 0 | 0 | 111.7 | T427 I508 V511 M521 Q1132 S1133 Q1134 | T427-I1136 HydrophobicContact CG2-CD1 4.15Å; I508-I1136 HydrophobicContact CD1-CG2 4.06Å; V511-I1136 HydrophobicContact CB-CD1 4.29Å; V511-I1136 HydrophobicContact CG1-CD1 3.82Å; V511-I1136 HydrophobicContact CG2-CD1 3.66Å; V511-I1136 HydrophobicContact CG2-CG2 4.35Å; M521-I1136 HydrophobicContact CE-CD1 4.45Å; Q1132-I1136 WeakPolarHBondContact O-CG1 3.5Å; Q1132-I1136 PolarHBondContact O-N 3.05Å; S1133-I1136 PolarHBondContact O-N 2.69Å; Q1134-I1136 PolarHBondContact O-N 2.96Å |
| 1137 | R | 83 | Confident | 75.3 | Confident | 93 Ų | 93 | 64.5 Ų | 64.5 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -78.3 | -20 | 179.7 | -63.3 | -58.5 | -170.6 | -172.4 | -0.1 | 113.9 | P492 I508 L509 S1133 Q1134 L1135 | P492-R1137 VanDerWaalsContact CB-O 3.28Å; P492-R1137 WeakPolarHBondContact CB-O 3.39Å; P492-R1137 WeakPolarHBondContact CG-O 3.32Å; P492-R1137 WeakPolarHBondContact O-CD 3.5Å; P492-R1137 PolarHBondContact O-NH1 3.19Å; I508-R1137 PolarHBondContact O-NH1 3.41Å; I508-R1137 PolarHBondContact O-NH2 3.21Å; L509-R1137 PolarHBondContact O-NH2 2.79Å; S1133-R1137 VanDerWaalsContact O-CG 3.27Å; S1133-R1137 WeakPolarHBondContact O-CG 3.45Å; S1133-R1137 PolarHBondContact O-N 3.28Å; Q1134-R1137 PolarHBondContact O-N 3.45Å; L1135-R1137 VanDerWaalsContact C-N 3.25Å; L1135-R1137 PolarHBondContact O-N 3.38Å |
| 1138 | A | 80 | Confident | 75.8 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 20% | 0.198 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -83.6 | -30.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P134 M137 Q1134 L1135 | P134-A1138 HydrophobicContact CG-CB 4.21Å; P134-A1138 WeakPolarHBondContact CG-O 3.38Å; M137-A1138 HydrophobicContact CE-CB 3.84Å; Q1134-A1138 WeakPolarHBondContact O-CB 3.4Å; Q1134-A1138 PolarHBondContact O-N 3.37Å; L1135-A1138 PolarHBondContact O-N 2.96Å; L1135-A1138 VanDerWaalsContact O-N 3.12Å |
| 1139 | Y | 80.3 | Confident | 76.2 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 4% | 0.035 | 31% | 0.311 | C | S | . | . | trans | -84.5 | 134.1 | -174.7 | -81.7 | -91.4 | 0 | 0 | 0 | 113.3 | E133 M137 Y139 V429 T491 P492 L1135 | E133-Y1139 WeakPolarHBondContact OE2-CE1 3.4Å; M137-Y1139 HydrophobicContact CE-CE2 3.98Å; Y139-Y1139 WeakPolarHBondContact CE2-OH 3.34Å; Y139-Y1139 PolarHBondContact OH-OH 2.78Å; V429-Y1139 HydrophobicContact CG1-CD1 3.82Å; V429-Y1139 HydrophobicContact CG1-CE1 4.33Å; V429-Y1139 HydrophobicContact CG1-CG 4.31Å; V429-Y1139 HydrophobicContact CG2-CD1 4.11Å; V429-Y1139 HydrophobicContact CG2-CD2 4.16Å; V429-Y1139 HydrophobicContact CG2-CE1 4.48Å; V429-Y1139 HydrophobicContact CG2-CG 3.94Å; T491-Y1139 CarbonylContact C-O 3.59Å; P492-Y1139 WeakPolarHBondContact CD-O 3.3Å; L1135-Y1139 HydrophobicContact CD1-CD2 4.35Å; L1135-Y1139 HydrophobicContact CD1-CE2 3.7Å; L1135-Y1139 HydrophobicContact CG-CD2 4.28Å; L1135-Y1139 HydrophobicContact CG-CE2 4.05Å; L1135-Y1139 WeakPolarHBondContact O-CD2 3.49Å; L1135-Y1139 PolarHBondContact O-N 3.46Å | ||
| 1140 | D | 83.6 | Confident | 77 | Confident | 34 Ų | 34 | 67 Ų | 67 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | trans | -131 | 98.3 | 168.6 | -175 | -5.1 | 0 | 0 | 0 | 108.9 | T1142 R1143 | D1140-T1142 VanDerWaalsContact CG-OG1 3.32Å; D1140-T1142 PolarHBondContact O-N 3.48Å; D1140-T1142 VanDerWaalsContact O-N 3.13Å; D1140-T1142 WeakPolarHBondContact OD1-CB 3.31Å; D1140-T1142 PolarHBondContact OD1-N 3.44Å; D1140-T1142 VanDerWaalsContact OD1-N 3.11Å; D1140-T1142 PolarHBondContact OD1-OG1 3.35Å; D1140-T1142 PolarHBondContact OD2-OG1 3.13Å; D1140-R1143 HydrophobicContact CB-CG 4.19Å; D1140-R1143 PolarHBondContact O-N 3.08Å; D1140-R1143 VanDerWaalsContact O-N 3.16Å; D1140-R1143 WeakPolarHBondContact OD2-CD 3.26Å; D1140-R1143 WeakPolarHBondContact OD2-CG 3.48Å; D1140-R1143 IonicContact OD2-CZ 2.85Å; D1140-R1143 IonicContact OD2-NE 3.77Å; D1140-R1143 PolarHBondContact OD2-NE 2.93Å; D1140-R1143 IonicContact OD2-NH2 2.61Å | ||
| 1141 | S | 80 | Confident | 77.5 | Confident | 41 Ų | 41 | 70 Ų | 70 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -9.1 | -178.1 | 58.9 | 0 | 0 | 0 | 0 | 113.8 | T489 R490 | T489-S1141 WeakPolarHBondContact CG2-OG 3.38Å; R490-S1141 PolarHBondContact N-OG 2.81Å; R490-S1141 PolarHBondContact O-N 3.3Å; R490-S1141 PolarHBondContact O-OG 3.11Å |
| 1142 | T | 78.6 | Confident | 77.8 | Confident | 94 Ų | 94 | 71.6 Ų | 71.6 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -19.4 | 175.3 | 70.9 | 0 | 0 | 0 | 0 | 112.7 | T489 T491 D1140 | T489-T1142 HydrophobicContact CG2-CG2 3.54Å; T491-T1142 HydrophobicContact CG2-CG2 4.34Å; D1140-T1142 VanDerWaalsContact CG-OG1 3.32Å; D1140-T1142 PolarHBondContact O-N 3.48Å; D1140-T1142 VanDerWaalsContact O-N 3.13Å; D1140-T1142 WeakPolarHBondContact OD1-CB 3.31Å; D1140-T1142 PolarHBondContact OD1-N 3.44Å; D1140-T1142 VanDerWaalsContact OD1-N 3.11Å; D1140-T1142 PolarHBondContact OD1-OG1 3.35Å; D1140-T1142 PolarHBondContact OD2-OG1 3.13Å |
| 1143 | R | 79.5 | Confident | 77.9 | Confident | 190 Ų | 190 | 74.8 Ų | 74.8 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -88.6 | 142.5 | -179 | -64 | -178.2 | -170.6 | -158.8 | -4.1 | 111.5 | D1140 | D1140-R1143 HydrophobicContact CB-CG 4.19Å; D1140-R1143 PolarHBondContact O-N 3.08Å; D1140-R1143 VanDerWaalsContact O-N 3.16Å; D1140-R1143 WeakPolarHBondContact OD2-CD 3.26Å; D1140-R1143 WeakPolarHBondContact OD2-CG 3.48Å; D1140-R1143 IonicContact OD2-CZ 2.85Å; D1140-R1143 IonicContact OD2-NE 3.77Å; D1140-R1143 PolarHBondContact OD2-NE 2.93Å; D1140-R1143 IonicContact OD2-NH2 2.61Å |
| 1144 | R | 76.5 | Confident | 78 | Confident | 249 Ų | 249 | 77.3 Ų | 77.3 | 94% | 0.94 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 132.6 | 170.8 | -69.5 | -173.4 | 178.1 | -172.1 | -0.3 | 110 | ||
| 1145 | K | 77.8 | Confident | 77.9 | Confident | 43 Ų | 43 | 75.6 Ų | 75.6 | 19% | 0.187 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 143.9 | 173.5 | -62.2 | -179.2 | 178.1 | -178.6 | 0 | 110.5 | E133 K218 E431 | E133-K1145 WeakPolarHBondContact OE1-CD 3.42Å; E133-K1145 WeakPolarHBondContact OE1-CE 3.46Å; E133-K1145 IonicContact OE1-NZ 2.93Å; E133-K1145 PolarHBondContact OE1-NZ 3.39Å; E133-K1145 WeakPolarHBondContact OE2-CE 3.49Å; E133-K1145 IonicContact OE2-NZ 3.57Å; K218-K1145 HydrophobicContact CD-CB 4.05Å; K218-K1145 HydrophobicContact CD-CD 4.17Å; K218-K1145 HydrophobicContact CG-CD 4.19Å; E431-K1145 IonicContact OE1-NZ 3.05Å; E431-K1145 PolarHBondContact OE1-NZ 3.27Å |
| 1146 | P | 80.2 | Confident | 78 | Confident | 49 Ų | 49 | 80.2 Ų | 80.2 | 32% | 0.318 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 145.7 | 177.5 | 27.3 | -34.7 | 0 | 0 | 0 | 112.2 | S132 W219 | S132-P1146 WeakPolarHBondContact O-CD 3.45Å; W219-P1146 HydrophobicContact CZ2-CB 4.23Å; W219-P1146 HydrophobicContact CZ2-CG 4.02Å; W219-P1146 PolarHBondContact NE1-O 2.99Å |
| 1147 | D | 77.5 | Confident | 77.8 | Confident | 90 Ų | 90 | 86.2 Ų | 86.2 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | trans | -79.7 | -19.1 | -177.3 | -71.5 | -10.4 | 0 | 0 | 0 | 113.6 | W219 R1149 | W219-D1147 VanDerWaalsContact NE1-C 3.29Å; W219-D1147 PolarHBondContact NE1-O 3.01Å; D1147-R1149 HydrophobicContact CB-CG 4.01Å; D1147-R1149 IonicContact OD2-CZ 2.82Å; D1147-R1149 IonicContact OD2-NE 3.28Å; D1147-R1149 PolarHBondContact OD2-NE 3.38Å; D1147-R1149 IonicContact OD2-NH2 2.87Å; D1147-R1149 PolarHBondContact OD2-NH2 2.94Å | ||
| 1148 | G | 69.5 | Low | 77.4 | Confident | 4 Ų | 4 | 85.7 Ų | 85.7 | 4% | 0.041 | 39% | 0.393 | C | S | . | . | trans | 64.3 | 52.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K115 L164 W219 | K115-G1148 PolarHBondContact NZ-O 3.12Å; L164-G1148 WeakPolarHBondContact O-CA 3.49Å; W219-G1148 VanDerWaalsContact CE2-CA 3.42Å | ||
| 1149 | R | 65.2 | Low | 77.2 | Confident | 201 Ų | 201 | 91.3 Ų | 91.3 | 76% | 0.758 | 41% | 0.411 | S | S | * | . | trans | -76.8 | 0 | -173.3 | -68 | -172.3 | -171.7 | -171.4 | 1.8 | 112.8 | W100 T165 A166 D1147 | W100-R1149 PolarHBondContact NE1-OXT 2.66Å; T165-R1149 CarbonylContact C-O 3.57Å; T165-R1149 WeakPolarHBondContact CA-O 3.32Å; T165-R1149 VanDerWaalsContact CG2-O 3.26Å; T165-R1149 WeakPolarHBondContact CG2-O 3.45Å; A166-R1149 PolarHBondContact N-O 2.83Å; D1147-R1149 HydrophobicContact CB-CG 4.01Å; D1147-R1149 IonicContact OD2-CZ 2.82Å; D1147-R1149 IonicContact OD2-NE 3.28Å; D1147-R1149 PolarHBondContact OD2-NE 3.38Å; D1147-R1149 IonicContact OD2-NH2 2.87Å; D1147-R1149 PolarHBondContact OD2-NH2 2.94Å |
Retrieved 1,149 of 1,149 residues in 455.8 ms
(Link to these results)