| 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 | 33.2 | Very low | 35.4 | Very low | 238 Ų | 238 | 143.9 Ų | 143.9 | 100% | 1.172 | 86% | 0.863 | S | S | * | * | 0 | 137.4 | 0 | -63.1 | 179.4 | -176.7 | 0 | 0 | 106.7 | |||||
| 2 | A | 34.5 | Very low | 35.9 | Very low | 108 Ų | 108 | 142 Ų | 142 | 89% | 0.893 | 86% | 0.857 | S | S | * | * | 33.5 | 121 | 117 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 3 | G | 32.2 | Very low | 36.8 | Very low | 82 Ų | 82 | 140.6 Ų | 140.6 | 85% | 0.845 | 85% | 0.849 | S | S | * | * | cis | 160.3 | 171.4 | 21.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 4 | G | 36.2 | Very low | 38.9 | Very low | 84 Ų | 84 | 133.2 Ų | 133.2 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | cis | 127.1 | 57.1 | 13.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 5 | E | 36.7 | Very low | 41.5 | Very low | 208 Ų | 208 | 128.9 Ų | 128.9 | 97% | 0.972 | 78% | 0.78 | S | S | * | * | trans | -128.5 | 154.1 | 172.7 | -108 | -172.5 | 125.4 | 0 | 0 | 110.5 | ||||
| 6 | D | 36.6 | Very low | 44.1 | Very low | 141 Ų | 141 | 121.7 Ų | 121.7 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -119 | 138.5 | -152.4 | -179.2 | 13.6 | 0 | 0 | 0 | 112.3 | G8 | D6-G8 PolarHBondContact OD1-N 3.36Š| ||
| 7 | R | 34.4 | Very low | 46.5 | Very low | 249 Ų | 249 | 117.5 Ų | 117.5 | 94% | 0.94 | 71% | 0.711 | S | S | * | * | trans | -145.9 | 76.8 | 158.1 | -75.3 | -160.5 | 175.1 | -144.6 | -2.9 | 109.7 | ||||
| 8 | G | 30.9 | Very low | 48.8 | Very low | 49 Ų | 49 | 110.9 Ų | 110.9 | 51% | 0.505 | 67% | 0.672 | S | S | . | * | 63.9 | 122.5 | 99.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | D6 | D6-G8 PolarHBondContact OD1-N 3.36Š| |||
| 9 | D | 33.4 | Very low | 50.8 | Low | 171 Ų | 171 | 111.5 Ų | 111.5 | 91% | 0.914 | 66% | 0.661 | S | S | * | * | trans | 62.9 | 114.6 | 160.2 | -52.6 | -33.6 | 0 | 0 | 0 | 118 | ||||
| 10 | G | 44.2 | Very low | 52.7 | Low | 80 Ų | 80 | 106 Ų | 106 | 83% | 0.825 | 63% | 0.628 | S | S | * | * | trans | -101.1 | 118.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 11 | E | 36.7 | Very low | 54.3 | Low | 173 Ų | 173 | 102.5 Ų | 102.5 | 81% | 0.808 | 61% | 0.606 | S | S | * | * | trans | -91.6 | 149.6 | 155.9 | -68.9 | -168.5 | 139.5 | 0 | 0 | 109.8 | V13 | E11-V13 PolarHBondContact O-N 3.31Å; E11-V13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | P | 41.5 | Very low | 56.7 | Low | 121 Ų | 121 | 92.1 Ų | 92.1 | 79% | 0.786 | 55% | 0.553 | S | S | * | * | trans | -66.9 | 110.5 | 167.4 | 29.2 | -32.4 | 0 | 0 | 0 | 108.6 | S14 | P12-S14 PolarHBondContact O-N 3.45Š| ||
| 13 | V | 47.3 | Very low | 59 | Low | 124 Ų | 124 | 88.1 Ų | 88.1 | 75% | 0.752 | 52% | 0.517 | S | S | * | . | trans | -74.6 | 79.9 | 178.9 | -172.2 | 0 | 0 | 0 | 0 | 110 | E11 V15 | E11-V13 PolarHBondContact O-N 3.31Å; E11-V13 VanDerWaalsContact O-N 3.13Å; V13-V15 HydrophobicContact CG1-CB 4.03Å; V13-V15 PolarHBondContact O-N 3.1Å | ||
| 14 | S | 66.6 | Low | 60.9 | Low | 37 Ų | 37 | 89.1 Ų | 89.1 | 26% | 0.259 | 50% | 0.499 | S | S | . | . | trans | -64.6 | -13.3 | 166.7 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | P12 V16 D46 G47 | P12-S14 PolarHBondContact O-N 3.45Å; S14-V16 PolarHBondContact O-N 3.07Å; S14-V16 VanDerWaalsContact O-N 3.12Å; S14-D46 VanDerWaalsContact CB-OD1 3.27Å; S14-D46 WeakPolarHBondContact CB-OD1 3.29Å; S14-D46 PolarHBondContact OG-OD1 3.29Å; S14-G47 WeakPolarHBondContact O-CA 3.36Å; S14-G47 PolarHBondContact O-N 3.23Å | ||
| 15 | V | 77.9 | Confident | 62.8 | Low | 68 Ų | 68 | 85.4 Ų | 85.4 | 41% | 0.412 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 102.3 | -170.9 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | V13 L45 | V13-V15 HydrophobicContact CG1-CB 4.03Å; V13-V15 PolarHBondContact O-N 3.1Å; V15-L45 CarbonylContact C-O 3.54Å; V15-L45 VanDerWaalsContact CA-O 3.32Å; V15-L45 WeakPolarHBondContact CA-O 3.45Å |
| 16 | V | 82.8 | Confident | 64.5 | Low | 14 Ų | 14 | 78.7 Ų | 78.7 | 9% | 0.085 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 122 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | S14 V18 L45 L88 F98 Y99 I102 | S14-V16 PolarHBondContact O-N 3.07Å; S14-V16 VanDerWaalsContact O-N 3.12Å; V16-V18 HydrophobicContact CG1-CG1 3.92Å; V16-V18 PolarHBondContact O-N 3.49Å; V16-L45 PolarHBondContact N-O 3.05Å; V16-L45 PolarHBondContact O-N 3.09Å; V16-L88 HydrophobicContact CB-CD1 4.46Å; V16-F98 HydrophobicContact CG1-CE1 4.19Å; V16-F98 HydrophobicContact CG1-CZ 4.09Å; V16-Y99 HydrophobicContact CG2-CE1 4.17Å; V16-I102 HydrophobicContact CG1-CD1 3.46Å; V16-I102 VanDerWaalsContact CG1-CD1 3.46Å; V16-I102 HydrophobicContact CG1-CG1 4.38Å |
| 17 | T | 84.9 | Confident | 66.4 | Low | 50 Ų | 50 | 75 Ų | 75 | 31% | 0.307 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 100.7 | 176 | -47.4 | 0 | 0 | 0 | 0 | 112 | C43 K107 | T17-C43 CarbonylContact C-O 3.45Å; T17-C43 WeakPolarHBondContact CA-O 3.47Å; T17-K107 HydrophobicContact CG2-CD 3.89Å; T17-K107 VanDerWaalsContact CG2-NZ 3.3Å; T17-K107 WeakPolarHBondContact O-CG 3.49Å |
| 18 | V | 88 | Confident | 68.3 | Low | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 164.8 | 178.6 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | V16 V20 T42 C43 L45 F98 L110 | V16-V18 HydrophobicContact CG1-CG1 3.92Å; V16-V18 PolarHBondContact O-N 3.49Å; V18-V20 HydrophobicContact CG2-CG1 3.77Å; V18-T42 CarbonylContact O-C 3.59Å; V18-T42 WeakPolarHBondContact O-CA 3.42Å; V18-T42 WeakPolarHBondContact O-CB 3.4Å; V18-C43 HydrophobicContact CG2-CB 4.11Å; V18-C43 PolarHBondContact N-O 3.42Å; V18-C43 PolarHBondContact O-N 3.36Å; V18-L45 HydrophobicContact CG1-CD1 4.27Å; V18-L45 HydrophobicContact CG2-CD1 3.81Å; V18-L45 HydrophobicContact CG2-CG 4Å; V18-F98 HydrophobicContact CG1-CE2 4.08Å; V18-F98 HydrophobicContact CG1-CZ 3.82Å; V18-L110 HydrophobicContact CB-CD1 4.41Å; V18-L110 HydrophobicContact CB-CG 4.34Å; V18-L110 HydrophobicContact CG1-CD1 4.11Å; V18-L110 HydrophobicContact CG1-CG 4.25Å; V18-L110 HydrophobicContact CG2-CD1 4.25Å |
| 19 | R | 87.8 | Confident | 70.6 | Confident | 121 Ų | 121 | 62.9 Ų | 62.9 | 46% | 0.457 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 142.4 | 155.7 | -69.5 | 172.4 | -178 | -174.7 | 3 | 108.3 | A40 P41 T42 K107 P108 T109 L110 | R19-A40 HydrophobicContact CB-CB 3.98Å; R19-A40 HydrophobicContact CG-CB 4.48Å; R19-P41 WeakPolarHBondContact CA-O 3.5Å; R19-T42 HydrophobicContact CG-CG2 3.95Å; R19-K107 HydrophobicContact CG-CB 4.01Å; R19-P108 PolarHBondContact N-O 3.18Å; R19-T109 HydrophobicContact CB-CG2 4.14Å; R19-T109 CarbonylContact O-C 3.56Å; R19-T109 WeakPolarHBondContact O-CA 3.48Å; R19-L110 PolarHBondContact O-N 3.07Å |
| 20 | V | 87.9 | Confident | 72.6 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 141.2 | 175.3 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | V18 A40 P41 C43 V58 L61 L62 L110 | V18-V20 HydrophobicContact CG2-CG1 3.77Å; V20-A40 WeakPolarHBondContact O-CB 3.41Å; V20-P41 HydrophobicContact CG2-CG 3.96Å; V20-P41 PolarHBondContact N-O 3.37Å; V20-P41 VanDerWaalsContact O-CD 3.31Å; V20-P41 WeakPolarHBondContact O-CD 3.14Å; V20-C43 HydrophobicContact CG1-CB 3.85Å; V20-C43 HydrophobicContact CG2-CB 4.3Å; V20-V58 HydrophobicContact CB-CG1 4.1Å; V20-V58 HydrophobicContact CG1-CG1 3.97Å; V20-V58 HydrophobicContact CG2-CG1 4.37Å; V20-L61 HydrophobicContact CG2-CD2 4.02Å; V20-L62 HydrophobicContact CB-CD1 4.22Å; V20-L62 HydrophobicContact CG2-CD1 4.2Å; V20-L62 HydrophobicContact CG2-CD2 4.04Å; V20-L62 HydrophobicContact CG2-CG 4.04Å; V20-L110 CarbonylContact C-O 3.57Å; V20-L110 WeakPolarHBondContact CA-O 3.46Å |
| 21 | Q | 86.3 | Confident | 72.8 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 16% | 0.159 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 163.2 | 170.9 | -60.4 | -168 | -87.6 | 0 | 0 | 109.2 | P35 P37 A40 L62 T109 L110 I111 L112 | Q21-P35 HydrophobicContact CB-CB 3.93Å; Q21-P35 HydrophobicContact CG-CB 4.46Å; Q21-P35 PolarHBondContact NE2-O 3.18Å; Q21-P37 PolarHBondContact NE2-O 3.15Å; Q21-A40 HydrophobicContact CG-CB 3.45Å; Q21-A40 VanDerWaalsContact CG-CB 3.45Å; Q21-L62 WeakPolarHBondContact O-CD1 3.34Å; Q21-T109 HydrophobicContact CG-CG2 4.16Å; Q21-L110 PolarHBondContact N-O 3.4Å; Q21-I111 CarbonylContact O-C 3.57Å; Q21-I111 WeakPolarHBondContact O-CA 3.31Å; Q21-L112 PolarHBondContact O-N 2.88Å |
| 22 | Y | 83.8 | Confident | 73.5 | Confident | 19 Ų | 19 | 53 Ų | 53 | 8% | 0.075 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 140.5 | 175 | 169.6 | -122.2 | 0 | 0 | 0 | 109.8 | E24 P35 E36 A64 P65 L66 L112 | Y22-E24 HydrophobicContact CE1-CB 3.74Å; Y22-E24 HydrophobicContact CE1-CG 4.45Å; Y22-E24 WeakPolarHBondContact OH-CA 3.32Å; Y22-E24 WeakPolarHBondContact OH-CB 3.26Å; Y22-E24 WeakPolarHBondContact OH-CG 3.25Å; Y22-P35 CarbonylContact O-C 3.54Å; Y22-P35 VanDerWaalsContact O-CA 3.28Å; Y22-P35 WeakPolarHBondContact O-CA 3.43Å; Y22-E36 PolarHBondContact N-O 3.48Å; Y22-E36 PolarHBondContact O-N 2.81Å; Y22-A64 HydrophobicContact CD1-CB 4.25Å; Y22-A64 HydrophobicContact CD2-CB 3.73Å; Y22-A64 HydrophobicContact CE1-CB 4.37Å; Y22-A64 HydrophobicContact CE2-CB 3.89Å; Y22-A64 HydrophobicContact CG-CB 3.94Å; Y22-P65 HydrophobicContact CE1-CG 4.17Å; Y22-L66 HydrophobicContact CE2-CD1 3.72Å; Y22-L66 HydrophobicContact CE2-CG 4.13Å; Y22-L112 CarbonylContact C-O 3.52Å; Y22-L112 WeakPolarHBondContact CA-O 3.5Å; Y22-L112 WeakPolarHBondContact CD2-O 3.26Å |
| 23 | L | 82.7 | Confident | 74.3 | Confident | 25 Ų | 25 | 50.2 Ų | 50.2 | 13% | 0.131 | 29% | 0.29 | C | S | . | . | trans | -124.6 | 119.4 | 171.6 | -178.3 | 70.2 | 0 | 0 | 0 | 109 | D25 N33 P35 I111 L112 R113 | L23-D25 HydrophobicContact CD2-CB 4.39Å; L23-D25 HydrophobicContact CG-CB 4.33Å; L23-D25 PolarHBondContact O-N 3.46Å; L23-D25 VanDerWaalsContact O-N 3.13Å; L23-N33 HydrophobicContact CD1-CB 3.72Å; L23-N33 VanDerWaalsContact CD1-O 3.24Å; L23-N33 WeakPolarHBondContact CD1-O 3.46Å; L23-P35 HydrophobicContact CD1-CG 4.4Å; L23-I111 HydrophobicContact CB-CG2 3.58Å; L23-L112 PolarHBondContact N-O 3.18Å; L23-R113 HydrophobicContact CB-CB 4.14Å | ||
| 24 | E | 73 | Confident | 75.2 | Confident | 102 Ų | 102 | 51.7 Ų | 51.7 | 48% | 0.477 | 29% | 0.287 | S | S | . | . | trans | -83.9 | 77.2 | 179.1 | -174.9 | 155.4 | -125.2 | 0 | 0 | 111.2 | Y22 N33 P65 | Y22-E24 HydrophobicContact CE1-CB 3.74Å; Y22-E24 HydrophobicContact CE1-CG 4.45Å; Y22-E24 WeakPolarHBondContact OH-CA 3.32Å; Y22-E24 WeakPolarHBondContact OH-CB 3.26Å; Y22-E24 WeakPolarHBondContact OH-CG 3.25Å; E24-N33 PolarHBondContact O-ND2 3.44Å; E24-P65 VanDerWaalsContact OE1-CG 3.25Å; E24-P65 WeakPolarHBondContact OE1-CG 3.33Å | ||
| 25 | D | 75.3 | Confident | 75.4 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.032 | 29% | 0.288 | C | S | . | . | trans | -103.4 | 24.4 | -178.4 | 66.1 | -23.5 | 0 | 0 | 0 | 114.4 | L23 D27 R113 T114 R119 | L23-D25 HydrophobicContact CD2-CB 4.39Å; L23-D25 HydrophobicContact CG-CB 4.33Å; L23-D25 PolarHBondContact O-N 3.46Å; L23-D25 VanDerWaalsContact O-N 3.13Å; D25-D27 VanDerWaalsContact C-N 3.31Å; D25-D27 PolarHBondContact O-N 3.23Å; D25-R113 WeakPolarHBondContact OD1-CB 3.3Å; D25-R113 IonicContact OD2-CZ 2.69Å; D25-R113 IonicContact OD2-NE 3.44Å; D25-R113 PolarHBondContact OD2-NE 3.31Å; D25-R113 IonicContact OD2-NH2 3.64Å; D25-R113 PolarHBondContact OD2-NH2 3.24Å; D25-T114 WeakPolarHBondContact OD1-CB 3.22Å; D25-T114 PolarHBondContact OD1-N 3.2Å; D25-T114 PolarHBondContact OD1-OG1 2.79Å; D25-T114 VanDerWaalsContact OD1-OG1 3.12Å; D25-R119 VanDerWaalsContact OD2-CD 3.29Å; D25-R119 WeakPolarHBondContact OD2-CD 3.37Å; D25-R119 IonicContact OD2-CZ 3.71Å; D25-R119 VanDerWaalsContact OD2-CZ 3.28Å; D25-R119 IonicContact OD2-NE 3.47Å; D25-R119 PolarHBondContact OD2-NE 2.98Å; D25-R119 IonicContact OD2-NH1 3.41Å; D25-R119 IonicContact OD2-NH2 2.91Å | ||
| 26 | T | 72.2 | Confident | 75.1 | Confident | 67 Ų | 67 | 54 Ų | 54 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -58.1 | -36.9 | 178.6 | -37.9 | 0 | 0 | 0 | 0 | 113.2 | P28 L66 T114 | T26-P28 WeakPolarHBondContact O-CD 3.38Å; T26-L66 HydrophobicContact CG2-CD2 4.39Å; T26-T114 PolarHBondContact N-OG1 3.37Å |
| 27 | D | 76.6 | Confident | 74.5 | Confident | 65 Ų | 65 | 56 Ų | 56 | 35% | 0.348 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -101.5 | 102 | 165 | -176.8 | 1 | 0 | 0 | 0 | 108.8 | D25 F29 A30 K126 | D25-D27 VanDerWaalsContact C-N 3.31Å; D25-D27 PolarHBondContact O-N 3.23Å; D27-F29 PolarHBondContact O-N 3.39Å; D27-F29 WeakPolarHBondContact OD1-CB 3.42Å; D27-F29 WeakPolarHBondContact OD1-CD2 3.24Å; D27-F29 PolarHBondContact OD1-N 3.02Å; D27-A30 HydrophobicContact CB-CB 4.17Å; D27-A30 WeakPolarHBondContact O-CB 3.33Å; D27-A30 PolarHBondContact O-N 3.42Å; D27-K126 IonicContact OD1-NZ 3.48Å; D27-K126 PolarHBondContact OD1-NZ 3.14Å; D27-K126 IonicContact OD2-NZ 3.84Å; D27-K126 PolarHBondContact OD2-NZ 2.85Å |
| 28 | P | 74.8 | Confident | 73.4 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -4.7 | -178.3 | 24.6 | -31.5 | 0 | 0 | 0 | 113.8 | T26 I123 I145 | T26-P28 WeakPolarHBondContact O-CD 3.38Å; P28-I123 HydrophobicContact CB-CD1 4.36Å; P28-I123 HydrophobicContact CB-CG1 4.23Å; P28-I123 HydrophobicContact CG-CD1 4.12Å; P28-I123 HydrophobicContact CG-CG1 3.52Å; P28-I145 HydrophobicContact CB-CD1 4.44Å; P28-I145 VanDerWaalsContact O-CD1 3.25Å; P28-I145 WeakPolarHBondContact O-CD1 3.49Å; P28-I145 WeakPolarHBondContact O-CG1 3.49Å |
| 29 | F | 79.5 | Confident | 72.6 | Confident | 25 Ų | 25 | 75 Ų | 75 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -4.4 | 171.9 | -56.9 | -84.2 | 0 | 0 | 0 | 113.5 | D27 C31 I123 K126 S138 I145 | D27-F29 PolarHBondContact O-N 3.39Å; D27-F29 WeakPolarHBondContact OD1-CB 3.42Å; D27-F29 WeakPolarHBondContact OD1-CD2 3.24Å; D27-F29 PolarHBondContact OD1-N 3.02Å; F29-C31 PolarHBondContact O-N 2.84Å; F29-C31 PolarHBondContact O-SG 2.84Å; F29-I123 HydrophobicContact CE2-CG1 4.15Å; F29-I123 HydrophobicContact CZ-CB 4.48Å; F29-I123 HydrophobicContact CZ-CG1 4.18Å; F29-I123 HydrophobicContact CZ-CG2 4.23Å; F29-K126 HydrophobicContact CD2-CD 3.57Å; F29-K126 HydrophobicContact CD2-CG 4.27Å; F29-K126 HydrophobicContact CE2-CB 4.08Å; F29-K126 HydrophobicContact CE2-CD 3.74Å; F29-K126 HydrophobicContact CE2-CG 3.97Å; F29-S138 WeakPolarHBondContact CE1-O 3.36Å; F29-I145 HydrophobicContact CD1-CD1 3.53Å; F29-I145 HydrophobicContact CE1-CD1 3.5Å; F29-I145 VanDerWaalsContact CE1-CD1 3.5Å; F29-I145 HydrophobicContact CG-CD1 4.17Å; F29-I145 HydrophobicContact CZ-CD1 4.15Å |
| 30 | A | 74.1 | Confident | 72.2 | Confident | 39 Ų | 39 | 70.4 Ų | 70.4 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | trans | -82 | 101.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | D27 A32 N33 | D27-A30 HydrophobicContact CB-CB 4.17Å; D27-A30 WeakPolarHBondContact O-CB 3.33Å; D27-A30 PolarHBondContact O-N 3.42Å; A30-A32 PolarHBondContact O-N 2.94Å; A30-N33 PolarHBondContact O-ND2 2.66Å; A30-N33 VanDerWaalsContact O-ND2 3.09Å | ||
| 31 | C | 49.6 | Very low | 71.9 | Confident | 106 Ų | 106 | 72.1 Ų | 72.1 | 72% | 0.716 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 27.2 | -169.6 | -57.2 | 0 | 0 | 0 | 0 | 115.6 | F29 | F29-C31 PolarHBondContact O-N 2.84Å; F29-C31 PolarHBondContact O-SG 2.84Å |
| 32 | A | 51.9 | Low | 71.8 | Confident | 72 Ų | 72 | 73.9 Ų | 73.9 | 60% | 0.595 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.5 | 12.8 | -163 | 0 | 0 | 0 | 0 | 0 | 116.2 | A30 F34 | A30-A32 PolarHBondContact O-N 2.94Å; A32-F34 PolarHBondContact O-N 2.9Å |
| 33 | N | 58.4 | Low | 71.9 | Confident | 62 Ų | 62 | 73.8 Ų | 73.8 | 33% | 0.332 | 39% | 0.386 | S | S | . | . | trans | -89.9 | 107.9 | -167.5 | -51.6 | -31.2 | 0 | 0 | 0 | 110.6 | L23 E24 A30 | L23-N33 HydrophobicContact CD1-CB 3.72Å; L23-N33 VanDerWaalsContact CD1-O 3.24Å; L23-N33 WeakPolarHBondContact CD1-O 3.46Å; E24-N33 PolarHBondContact O-ND2 3.44Å; A30-N33 PolarHBondContact O-ND2 2.66Å; A30-N33 VanDerWaalsContact O-ND2 3.09Å | ||
| 34 | F | 65.6 | Low | 72 | Confident | 156 Ų | 156 | 76.1 Ų | 76.1 | 68% | 0.684 | 41% | 0.405 | S | S | * | . | trans | -93.6 | 143.6 | 172.2 | -72.2 | -88.5 | 0 | 0 | 0 | 110 | A32 E36 | A32-F34 PolarHBondContact O-N 2.9Å; F34-E36 WeakPolarHBondContact O-CG 3.49Å; F34-E36 PolarHBondContact O-N 2.89Å; F34-E36 VanDerWaalsContact O-N 3.12Å | ||
| 35 | P | 70.4 | Confident | 72.6 | Confident | 42 Ų | 42 | 71.5 Ų | 71.5 | 27% | 0.273 | 38% | 0.383 | S | S | . | . | trans | -61.2 | 115.4 | 176 | -26.4 | 35.7 | 0 | 0 | 0 | 112.9 | Q21 Y22 L23 I111 | Q21-P35 HydrophobicContact CB-CB 3.93Å; Q21-P35 HydrophobicContact CG-CB 4.46Å; Q21-P35 PolarHBondContact NE2-O 3.18Å; Y22-P35 CarbonylContact O-C 3.54Å; Y22-P35 VanDerWaalsContact O-CA 3.28Å; Y22-P35 WeakPolarHBondContact O-CA 3.43Å; L23-P35 HydrophobicContact CD1-CG 4.4Å; P35-I111 HydrophobicContact CG-CD1 4.38Å | ||
| 36 | E | 71.3 | Confident | 73 | Confident | 112 Ų | 112 | 73.4 Ų | 73.4 | 52% | 0.523 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -101.8 | 147.5 | -178.9 | -62 | -121.6 | 127.8 | 0 | 0 | 111 | Y22 F34 | Y22-E36 PolarHBondContact N-O 3.48Å; Y22-E36 PolarHBondContact O-N 2.81Å; F34-E36 WeakPolarHBondContact O-CG 3.49Å; F34-E36 PolarHBondContact O-N 2.89Å; F34-E36 VanDerWaalsContact O-N 3.12Å |
| 37 | P | 70.2 | Confident | 73.2 | Confident | 56 Ų | 56 | 70.3 Ų | 70.3 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | S | Bend | cis | -71.3 | 154.9 | -13.2 | 32.2 | -35.7 | 0 | 0 | 0 | 111.3 | Q21 R39 A40 | Q21-P37 PolarHBondContact NE2-O 3.15Å; P37-R39 CarbonylContact O-C 3.54Å; P37-R39 PolarHBondContact O-N 3.3Å; P37-A40 PolarHBondContact O-N 2.92Å |
| 38 | R | 62.7 | Low | 73.3 | Confident | 221 Ų | 221 | 70 Ų | 70 | 83% | 0.834 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -57.3 | -15.1 | 176.3 | -61.9 | -175.5 | -177.8 | -162.3 | -1.4 | 114.7 | ||
| 39 | R | 70.3 | Confident | 73.8 | Confident | 226 Ų | 226 | 73.2 Ų | 73.2 | 85% | 0.853 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -118.1 | 86.5 | 171.2 | -174.9 | -177.4 | -176.5 | 177.6 | 1.6 | 108.4 | P37 P41 | P37-R39 CarbonylContact O-C 3.54Å; P37-R39 PolarHBondContact O-N 3.3Å; R39-P41 WeakPolarHBondContact O-CD 3.33Å |
| 40 | A | 79.1 | Confident | 74 | Confident | 26 Ų | 26 | 74.5 Ų | 74.5 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -48.3 | 117 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R19 V20 Q21 P37 | R19-A40 HydrophobicContact CB-CB 3.98Å; R19-A40 HydrophobicContact CG-CB 4.48Å; V20-A40 WeakPolarHBondContact O-CB 3.41Å; Q21-A40 HydrophobicContact CG-CB 3.45Å; Q21-A40 VanDerWaalsContact CG-CB 3.45Å; P37-A40 PolarHBondContact O-N 2.92Å |
| 41 | P | 82.9 | Confident | 74.4 | Confident | 36 Ų | 36 | 72.7 Ų | 72.7 | 23% | 0.234 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 155.3 | 168.9 | 26 | -34.8 | 0 | 0 | 0 | 110.8 | R19 V20 R39 L61 L62 | R19-P41 WeakPolarHBondContact CA-O 3.5Å; V20-P41 HydrophobicContact CG2-CG 3.96Å; V20-P41 PolarHBondContact N-O 3.37Å; V20-P41 VanDerWaalsContact O-CD 3.31Å; V20-P41 WeakPolarHBondContact O-CD 3.14Å; R39-P41 WeakPolarHBondContact O-CD 3.33Å; P41-L61 HydrophobicContact CB-CG 4.47Å; P41-L61 HydrophobicContact CG-CG 4.4Å; P41-L62 HydrophobicContact CG-CD2 4.2Å |
| 42 | T | 84.3 | Confident | 75.9 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.9 | 174.6 | 55 | 0 | 0 | 0 | 0 | 110.9 | V18 R19 K107 | V18-T42 CarbonylContact O-C 3.59Å; V18-T42 WeakPolarHBondContact O-CA 3.42Å; V18-T42 WeakPolarHBondContact O-CB 3.4Å; R19-T42 HydrophobicContact CG-CG2 3.95Å; T42-K107 HydrophobicContact CG2-CD 3.63Å |
| 43 | C | 84.9 | Confident | 77.3 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 11% | 0.108 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 153.2 | 174.4 | -161.9 | 0 | 0 | 0 | 0 | 109.5 | T17 V18 V20 L61 | T17-C43 CarbonylContact C-O 3.45Å; T17-C43 WeakPolarHBondContact CA-O 3.47Å; V18-C43 HydrophobicContact CG2-CB 4.11Å; V18-C43 PolarHBondContact N-O 3.42Å; V18-C43 PolarHBondContact O-N 3.36Å; V20-C43 HydrophobicContact CG1-CB 3.85Å; V20-C43 HydrophobicContact CG2-CB 4.3Å; C43-L61 HydrophobicContact CB-CD2 3.81Å |
| 44 | S | 85.6 | Confident | 78.7 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 117 | 170.3 | -69.8 | 0 | 0 | 0 | 0 | 107.7 | ||
| 45 | L | 84.5 | Confident | 79.6 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 139.4 | 175.9 | -62.2 | 177.4 | 0 | 0 | 0 | 108.9 | V15 V16 V18 L51 Q54 V58 L88 L110 | V15-L45 CarbonylContact C-O 3.54Å; V15-L45 VanDerWaalsContact CA-O 3.32Å; V15-L45 WeakPolarHBondContact CA-O 3.45Å; V16-L45 PolarHBondContact N-O 3.05Å; V16-L45 PolarHBondContact O-N 3.09Å; V18-L45 HydrophobicContact CG1-CD1 4.27Å; V18-L45 HydrophobicContact CG2-CD1 3.81Å; V18-L45 HydrophobicContact CG2-CG 4Å; L45-L51 HydrophobicContact CD1-CD2 4.32Å; L45-Q54 VanDerWaalsContact CA-OE1 3.3Å; L45-Q54 HydrophobicContact CD2-CB 4.06Å; L45-V58 HydrophobicContact CD2-CG2 3.87Å; L45-L88 HydrophobicContact CB-CD1 4.13Å; L45-L88 HydrophobicContact CD1-CD1 4.12Å; L45-L110 HydrophobicContact CD1-CD1 3.67Å |
| 46 | D | 83.9 | Confident | 80.3 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 25% | 0.246 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 121.9 | 168.8 | -169.9 | -18.5 | 0 | 0 | 0 | 108.9 | S14 A48 L49 Q54 | S14-D46 VanDerWaalsContact CB-OD1 3.27Å; S14-D46 WeakPolarHBondContact CB-OD1 3.29Å; S14-D46 PolarHBondContact OG-OD1 3.29Å; D46-A48 PolarHBondContact O-N 2.7Å; D46-A48 PolarHBondContact OD1-N 3.4Å; D46-L49 HydrophobicContact CB-CB 4.19Å; D46-L49 HydrophobicContact CB-CD1 3.94Å; D46-L49 HydrophobicContact CB-CG 4.03Å; D46-Q54 PolarHBondContact O-NE2 2.78Å |
| 47 | G | 77.8 | Confident | 80.8 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S14 S87 L88 E89 | S14-G47 WeakPolarHBondContact O-CA 3.36Å; S14-G47 PolarHBondContact O-N 3.23Å; G47-S87 WeakPolarHBondContact O-CB 3.29Å; G47-L88 PolarHBondContact O-N 2.92Å; G47-E89 VanDerWaalsContact O-CB 3.31Å; G47-E89 WeakPolarHBondContact O-CB 3.26Å; G47-E89 PolarHBondContact O-N 3.11Å |
| 48 | A | 78.6 | Confident | 81.4 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 50% | 0.496 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D46 | D46-A48 PolarHBondContact O-N 2.7Å; D46-A48 PolarHBondContact OD1-N 3.4Å |
| 49 | L | 83.8 | Confident | 82.4 | Confident | 83 Ų | 83 | 44.9 Ų | 44.9 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -103 | 144 | 176.3 | -67.9 | 178.5 | 0 | 0 | 0 | 111.3 | D46 Q54 S87 | D46-L49 HydrophobicContact CB-CB 4.19Å; D46-L49 HydrophobicContact CB-CD1 3.94Å; D46-L49 HydrophobicContact CB-CG 4.03Å; L49-Q54 HydrophobicContact CB-CG 4.45Å; L49-Q54 PolarHBondContact O-NE2 3.22Å; L49-S87 WeakPolarHBondContact O-CB 3.3Å |
| 50 | P | 84.3 | Confident | 83 | Confident | 53 Ų | 53 | 42.9 Ų | 42.9 | 34% | 0.344 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -61.7 | 141 | 177.5 | 26.7 | -35 | 0 | 0 | 0 | 111.2 | G52 A53 L86 | P50-G52 VanDerWaalsContact C-N 3.3Å; P50-G52 PolarHBondContact O-N 3.41Å; P50-A53 HydrophobicContact CG-CB 4.3Å; P50-A53 WeakPolarHBondContact O-CB 3.47Å; P50-A53 PolarHBondContact O-N 3.33Å; P50-A53 VanDerWaalsContact O-N 3.16Å; P50-L86 WeakPolarHBondContact CA-O 3.48Å |
| 51 | L | 82.9 | Confident | 83.1 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -33.7 | -171.4 | -77.8 | 169.5 | 0 | 0 | 0 | 113.2 | L45 A53 Q54 I55 L73 L82 T84 L86 L88 | L45-L51 HydrophobicContact CD1-CD2 4.32Å; L51-A53 VanDerWaalsContact C-N 3.26Å; L51-A53 PolarHBondContact O-N 2.93Å; L51-Q54 CarbonylContact O-C 3.58Å; L51-Q54 WeakPolarHBondContact O-CA 3.4Å; L51-Q54 PolarHBondContact O-N 3.47Å; L51-I55 WeakPolarHBondContact O-CG1 3.27Å; L51-I55 PolarHBondContact O-N 2.96Å; L51-L73 HydrophobicContact CB-CD1 4.37Å; L51-L73 HydrophobicContact CD2-CD1 4.07Å; L51-L82 HydrophobicContact CD1-CB 3.74Å; L51-L82 HydrophobicContact CD1-CD1 3.73Å; L51-L82 HydrophobicContact CD1-CG 4.23Å; L51-T84 PolarHBondContact N-O 3.22Å; L51-L86 PolarHBondContact N-O 3.14Å; L51-L88 HydrophobicContact CD1-CD2 3.99Å; L51-L88 HydrophobicContact CD1-CG 4.43Å; L51-L88 HydrophobicContact CD2-CD1 4.34Å; L51-L88 HydrophobicContact CD2-CD2 4.07Å; L51-L88 HydrophobicContact CD2-CG 3.94Å; L51-L88 HydrophobicContact CG-CD2 4.45Å; L51-L88 HydrophobicContact CG-CG 4.4Å |
| 52 | G | 81 | Confident | 83 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.1 | -32.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P50 Q54 P56 T84 | P50-G52 VanDerWaalsContact C-N 3.3Å; P50-G52 PolarHBondContact O-N 3.41Å; G52-Q54 PolarHBondContact O-N 3.01Å; G52-P56 VanDerWaalsContact O-CD 3.23Å; G52-P56 WeakPolarHBondContact O-CD 3.48Å; G52-T84 WeakPolarHBondContact CA-O 3.44Å; G52-T84 PolarHBondContact N-O 3.48Å |
| 53 | A | 82 | Confident | 82.5 | Confident | 73 Ų | 73 | 44.7 Ų | 44.7 | 60% | 0.603 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -70.3 | -22.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P50 L51 | P50-A53 HydrophobicContact CG-CB 4.3Å; P50-A53 WeakPolarHBondContact O-CB 3.47Å; P50-A53 PolarHBondContact O-N 3.33Å; P50-A53 VanDerWaalsContact O-N 3.16Å; L51-A53 VanDerWaalsContact C-N 3.26Å; L51-A53 PolarHBondContact O-N 2.93Å |
| 54 | Q | 86.6 | Confident | 82 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -101.5 | -24.9 | -174.8 | -54.8 | -170.5 | 69.2 | 0 | 0 | 113.1 | L45 D46 L49 L51 G52 P56 A57 V58 | L45-Q54 VanDerWaalsContact CA-OE1 3.3Å; L45-Q54 HydrophobicContact CD2-CB 4.06Å; D46-Q54 PolarHBondContact O-NE2 2.78Å; L49-Q54 HydrophobicContact CB-CG 4.45Å; L49-Q54 PolarHBondContact O-NE2 3.22Å; L51-Q54 CarbonylContact O-C 3.58Å; L51-Q54 WeakPolarHBondContact O-CA 3.4Å; L51-Q54 PolarHBondContact O-N 3.47Å; G52-Q54 PolarHBondContact O-N 3.01Å; Q54-P56 VanDerWaalsContact C-CD 3.49Å; Q54-P56 VanDerWaalsContact C-N 3.32Å; Q54-A57 WeakPolarHBondContact O-CB 3.17Å; Q54-A57 PolarHBondContact O-N 3.47Å; Q54-V58 PolarHBondContact O-N 2.98Å |
| 55 | I | 84.4 | Confident | 81.4 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -49.4 | -43.1 | 174.8 | -79.2 | 170.9 | 0 | 0 | 0 | 112.8 | L51 A57 V58 H59 C71 L73 T84 L112 | L51-I55 WeakPolarHBondContact O-CG1 3.27Å; L51-I55 PolarHBondContact O-N 2.96Å; I55-A57 PolarHBondContact O-N 3.45Å; I55-A57 VanDerWaalsContact O-N 3.15Å; I55-V58 PolarHBondContact O-N 3.03Å; I55-V58 VanDerWaalsContact O-N 3.09Å; I55-H59 VanDerWaalsContact O-CB 3.3Å; I55-H59 WeakPolarHBondContact O-CB 3.46Å; I55-H59 PolarHBondContact O-N 2.89Å; I55-C71 HydrophobicContact CG2-CB 4Å; I55-L73 HydrophobicContact CD1-CD1 4.03Å; I55-L73 HydrophobicContact CD1-CG 4.06Å; I55-L73 HydrophobicContact CG1-CD1 3.73Å; I55-L73 HydrophobicContact CG1-CG 4.01Å; I55-T84 HydrophobicContact CD1-CG2 3.6Å; I55-L112 HydrophobicContact CG2-CD1 4.42Å |
| 56 | P | 85 | Confident | 81 | Confident | 37 Ų | 37 | 45.6 Ų | 45.6 | 24% | 0.24 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.5 | -22.1 | 176.2 | -26.3 | 35.7 | 0 | 0 | 0 | 115.1 | G52 Q54 R60 L68 | G52-P56 VanDerWaalsContact O-CD 3.23Å; G52-P56 WeakPolarHBondContact O-CD 3.48Å; Q54-P56 VanDerWaalsContact C-CD 3.49Å; Q54-P56 VanDerWaalsContact C-N 3.32Å; P56-R60 VanDerWaalsContact O-CG 3.29Å; P56-R60 WeakPolarHBondContact O-CG 3.4Å; P56-R60 PolarHBondContact O-N 3.42Å; P56-R60 PolarHBondContact O-NE 3.2Å; P56-R60 PolarHBondContact O-NH1 2.89Å; P56-L68 HydrophobicContact CB-CD1 4.47Å; P56-L68 HydrophobicContact CB-CD2 4.25Å; P56-L68 HydrophobicContact CG-CD2 4.38Å |
| 57 | A | 82.3 | Confident | 80.7 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 37% | 0.372 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -80.8 | -41.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q54 I55 L61 | Q54-A57 WeakPolarHBondContact O-CB 3.17Å; Q54-A57 PolarHBondContact O-N 3.47Å; I55-A57 PolarHBondContact O-N 3.45Å; I55-A57 VanDerWaalsContact O-N 3.15Å; A57-L61 WeakPolarHBondContact O-CB 3.37Å; A57-L61 PolarHBondContact O-N 3.43Å; A57-L61 VanDerWaalsContact O-N 3.08Å |
| 58 | V | 83 | Confident | 80.7 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 176.4 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | V20 L45 Q54 I55 L61 L62 | V20-V58 HydrophobicContact CB-CG1 4.1Å; V20-V58 HydrophobicContact CG1-CG1 3.97Å; V20-V58 HydrophobicContact CG2-CG1 4.37Å; L45-V58 HydrophobicContact CD2-CG2 3.87Å; Q54-V58 PolarHBondContact O-N 2.98Å; I55-V58 PolarHBondContact O-N 3.03Å; I55-V58 VanDerWaalsContact O-N 3.09Å; V58-L61 WeakPolarHBondContact O-CB 3.38Å; V58-L61 PolarHBondContact O-N 2.86Å; V58-L62 HydrophobicContact CG1-CD1 3.85Å; V58-L62 PolarHBondContact O-N 3.38Å |
| 59 | H | 84.3 | Confident | 80.6 | Confident | 27 Ų | 27 | 56.5 Ų | 56.5 | 13% | 0.125 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.7 | -50.3 | 176.9 | 179.6 | -74.9 | 0 | 0 | 0 | 111.8 | I55 L61 L62 G63 A64 L66 L68 L112 | I55-H59 VanDerWaalsContact O-CB 3.3Å; I55-H59 WeakPolarHBondContact O-CB 3.46Å; I55-H59 PolarHBondContact O-N 2.89Å; H59-L61 VanDerWaalsContact C-N 3.28Å; H59-L61 PolarHBondContact O-N 3.47Å; H59-L62 PolarHBondContact O-N 2.99Å; H59-G63 PolarHBondContact O-N 2.87Å; H59-A64 PolarHBondContact CE1-O 3.5Å; H59-A64 PolarHBondContact NE2-O 2.97Å; H59-A64 VanDerWaalsContact NE2-O 3.13Å; H59-L66 PolarHBondContact NE2-O 2.93Å; H59-L68 HydrophobicContact CB-CD2 3.63Å; H59-L68 VanDerWaalsContact CG-CD2 3.44Å; H59-L112 HydrophobicContact CB-CD2 4.21Å |
| 60 | R | 82.5 | Confident | 80.6 | Confident | 184 Ų | 184 | 53.9 Ų | 53.9 | 69% | 0.694 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.6 | -30.9 | 175 | -72.9 | -171.7 | -52.6 | -103.3 | 0.9 | 113.7 | P56 | P56-R60 VanDerWaalsContact O-CG 3.29Å; P56-R60 WeakPolarHBondContact O-CG 3.4Å; P56-R60 PolarHBondContact O-N 3.42Å; P56-R60 PolarHBondContact O-NE 3.2Å; P56-R60 PolarHBondContact O-NH1 2.89Å |
| 61 | L | 81.4 | Confident | 80.6 | Confident | 83 Ų | 83 | 51.6 Ų | 51.6 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -74 | -30.3 | 177.1 | 179.2 | 61.4 | 0 | 0 | 0 | 112.5 | V20 P41 C43 A57 V58 H59 | V20-L61 HydrophobicContact CG2-CD2 4.02Å; P41-L61 HydrophobicContact CB-CG 4.47Å; P41-L61 HydrophobicContact CG-CG 4.4Å; C43-L61 HydrophobicContact CB-CD2 3.81Å; A57-L61 WeakPolarHBondContact O-CB 3.37Å; A57-L61 PolarHBondContact O-N 3.43Å; A57-L61 VanDerWaalsContact O-N 3.08Å; V58-L61 WeakPolarHBondContact O-CB 3.38Å; V58-L61 PolarHBondContact O-N 2.86Å; H59-L61 VanDerWaalsContact C-N 3.28Å; H59-L61 PolarHBondContact O-N 3.47Å |
| 62 | L | 79.6 | Confident | 80.7 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -89.6 | -25.4 | 177.7 | -72.3 | 166.7 | 0 | 0 | 0 | 113.3 | V20 Q21 P41 V58 H59 L112 | V20-L62 HydrophobicContact CB-CD1 4.22Å; V20-L62 HydrophobicContact CG2-CD1 4.2Å; V20-L62 HydrophobicContact CG2-CD2 4.04Å; V20-L62 HydrophobicContact CG2-CG 4.04Å; Q21-L62 WeakPolarHBondContact O-CD1 3.34Å; P41-L62 HydrophobicContact CG-CD2 4.2Å; V58-L62 HydrophobicContact CG1-CD1 3.85Å; V58-L62 PolarHBondContact O-N 3.38Å; H59-L62 PolarHBondContact O-N 2.99Å; L62-L112 HydrophobicContact CD1-CB 3.8Å; L62-L112 HydrophobicContact CD1-CD2 3.9Å |
| 63 | G | 73.9 | Confident | 81 | Confident | 61 Ų | 61 | 50.6 Ų | 50.6 | 63% | 0.629 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 29.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | H59 | H59-G63 PolarHBondContact O-N 2.87Š|
| 64 | A | 75.5 | Confident | 81.3 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | trans | -66.7 | 140.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y22 H59 L66 L112 | Y22-A64 HydrophobicContact CD1-CB 4.25Å; Y22-A64 HydrophobicContact CD2-CB 3.73Å; Y22-A64 HydrophobicContact CE1-CB 4.37Å; Y22-A64 HydrophobicContact CE2-CB 3.89Å; Y22-A64 HydrophobicContact CG-CB 3.94Å; H59-A64 PolarHBondContact CE1-O 3.5Å; H59-A64 PolarHBondContact NE2-O 2.97Å; H59-A64 VanDerWaalsContact NE2-O 3.13Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 2.9Å; A64-L112 HydrophobicContact CB-CD2 4.07Å | ||
| 65 | P | 72.2 | Confident | 81.3 | Confident | 92 Ų | 92 | 47.4 Ų | 47.4 | 60% | 0.597 | 26% | 0.257 | S | S | * | . | trans | -78.2 | -9.4 | 179.5 | 31.6 | -36 | 0 | 0 | 0 | 114.7 | Y22 E24 | Y22-P65 HydrophobicContact CE1-CG 4.17Å; E24-P65 VanDerWaalsContact OE1-CG 3.25Å; E24-P65 WeakPolarHBondContact OE1-CG 3.33Å | ||
| 66 | L | 75.9 | Confident | 81.2 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -61.9 | 153.2 | 175.9 | -73.6 | 172.8 | 0 | 0 | 0 | 112.5 | Y22 T26 H59 A64 T114 | Y22-L66 HydrophobicContact CE2-CD1 3.72Å; Y22-L66 HydrophobicContact CE2-CG 4.13Å; T26-L66 HydrophobicContact CG2-CD2 4.39Å; H59-L66 PolarHBondContact NE2-O 2.93Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 2.9Å; L66-T114 HydrophobicContact CD2-CG2 4.27Å; L66-T114 WeakPolarHBondContact CD2-OG1 3.17Å |
| 67 | K | 78.8 | Confident | 80.7 | Confident | 109 Ų | 109 | 53.1 Ų | 53.1 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | trans | -72 | 146.7 | 164.8 | -49.5 | -169.2 | -89.9 | 73.7 | 0 | 109 | E69 D70 C71 | K67-E69 HydrophobicContact CB-CG 3.93Å; K67-E69 WeakPolarHBondContact CD-OE1 3.46Å; K67-E69 WeakPolarHBondContact CE-OE1 3.32Å; K67-E69 IonicContact NZ-OE1 3.47Å; K67-E69 PolarHBondContact NZ-OE1 3.23Å; K67-E69 PolarHBondContact O-N 3.27Å; K67-D70 VanDerWaalsContact CB-OD2 3.27Å; K67-D70 WeakPolarHBondContact CB-OD2 3.41Å; K67-D70 WeakPolarHBondContact CE-OD2 3.33Å; K67-D70 WeakPolarHBondContact CG-OD2 3.5Å; K67-D70 IonicContact NZ-OD1 3.64Å; K67-D70 PolarHBondContact NZ-OD1 3.04Å; K67-D70 IonicContact NZ-OD2 3.65Å; K67-D70 PolarHBondContact NZ-OD2 3.36Å; K67-D70 PolarHBondContact O-N 2.97Å; K67-C71 PolarHBondContact O-SG 2.84Å | ||
| 68 | L | 76.6 | Confident | 80.4 | Confident | 91 Ų | 91 | 54.9 Ų | 54.9 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -59.9 | -29.4 | -178 | -72 | 170.1 | 0 | 0 | 0 | 113.2 | P56 H59 | P56-L68 HydrophobicContact CB-CD1 4.47Å; P56-L68 HydrophobicContact CB-CD2 4.25Å; P56-L68 HydrophobicContact CG-CD2 4.38Å; H59-L68 HydrophobicContact CB-CD2 3.63Å; H59-L68 VanDerWaalsContact CG-CD2 3.44Å |
| 69 | E | 76.7 | Confident | 80.1 | Confident | 138 Ų | 138 | 56.1 Ų | 56.1 | 65% | 0.645 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -74.3 | -23 | 177 | 64.7 | -155 | -177 | 0 | 0 | 114.1 | K67 C71 | K67-E69 HydrophobicContact CB-CG 3.93Å; K67-E69 WeakPolarHBondContact CD-OE1 3.46Å; K67-E69 WeakPolarHBondContact CE-OE1 3.32Å; K67-E69 IonicContact NZ-OE1 3.47Å; K67-E69 PolarHBondContact NZ-OE1 3.23Å; K67-E69 PolarHBondContact O-N 3.27Å; E69-C71 VanDerWaalsContact C-N 3.34Å |
| 70 | D | 83.6 | Confident | 80 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 15% | 0.15 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -92.6 | 7.8 | -179.4 | -49.5 | -43.2 | 0 | 0 | 0 | 112.6 | K67 T114 Q115 V118 | K67-D70 VanDerWaalsContact CB-OD2 3.27Å; K67-D70 WeakPolarHBondContact CB-OD2 3.41Å; K67-D70 WeakPolarHBondContact CE-OD2 3.33Å; K67-D70 WeakPolarHBondContact CG-OD2 3.5Å; K67-D70 IonicContact NZ-OD1 3.64Å; K67-D70 PolarHBondContact NZ-OD1 3.04Å; K67-D70 IonicContact NZ-OD2 3.65Å; K67-D70 PolarHBondContact NZ-OD2 3.36Å; K67-D70 PolarHBondContact O-N 2.97Å; D70-T114 CarbonylContact O-C 3.56Å; D70-T114 WeakPolarHBondContact O-CA 3.17Å; D70-Q115 PolarHBondContact O-N 3.27Å; D70-V118 HydrophobicContact CB-CG2 4.34Å |
| 71 | C | 84.6 | Confident | 80.1 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.034 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 129.5 | -168.4 | -73.7 | 0 | 0 | 0 | 0 | 113.4 | I55 K67 E69 L112 | I55-C71 HydrophobicContact CG2-CB 4Å; K67-C71 PolarHBondContact O-SG 2.84Å; E69-C71 VanDerWaalsContact C-N 3.34Å; C71-L112 HydrophobicContact CB-CD1 3.97Å |
| 72 | A | 85.3 | Confident | 80.2 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 158.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y81 L112 R113 Q115 | A72-Y81 HydrophobicContact CB-CD1 4.28Å; A72-Y81 HydrophobicContact CB-CE1 4.27Å; A72-L112 WeakPolarHBondContact O-CA 3.39Å; A72-R113 PolarHBondContact N-O 3.07Å; A72-R113 PolarHBondContact O-N 3.23Å; A72-Q115 HydrophobicContact CB-CB 4.37Å |
| 73 | L | 86.8 | Confident | 80.4 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 135.5 | 175.1 | -67.8 | 172 | 0 | 0 | 0 | 110.4 | L51 I55 L82 I111 L112 | L51-L73 HydrophobicContact CB-CD1 4.37Å; L51-L73 HydrophobicContact CD2-CD1 4.07Å; I55-L73 HydrophobicContact CD1-CD1 4.03Å; I55-L73 HydrophobicContact CD1-CG 4.06Å; I55-L73 HydrophobicContact CG1-CD1 3.73Å; I55-L73 HydrophobicContact CG1-CG 4.01Å; L73-L82 HydrophobicContact CB-CB 4.24Å; L73-L82 HydrophobicContact CB-CD1 3.98Å; L73-L82 HydrophobicContact CB-CG 4.45Å; L73-L82 PolarHBondContact O-N 2.72Å; L73-I111 WeakPolarHBondContact CA-O 3.47Å; L73-L112 HydrophobicContact CD2-CB 4.27Å; L73-L112 HydrophobicContact CD2-CD1 3.78Å |
| 74 | Q | 87.6 | Confident | 80.8 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 139.2 | 177 | -166.1 | -174.2 | 28.7 | 0 | 0 | 110.9 | G79 Y80 Y81 L110 I111 R113 | Q74-G79 WeakPolarHBondContact CG-O 3.48Å; Q74-G79 PolarHBondContact NE2-O 2.7Å; Q74-Y80 CarbonylContact C-O 3.59Å; Q74-Y80 WeakPolarHBondContact CA-O 3.41Å; Q74-Y80 WeakPolarHBondContact CG-O 3.41Å; Q74-Y81 HydrophobicContact CB-CD1 4.38Å; Q74-Y81 HydrophobicContact CG-CD2 4.34Å; Q74-Y81 HydrophobicContact CG-CG 4.39Å; Q74-L110 CarbonylContact O-C 3.56Å; Q74-L110 WeakPolarHBondContact O-CA 3.19Å; Q74-I111 PolarHBondContact N-O 3.41Å; Q74-I111 PolarHBondContact O-N 2.74Å; Q74-R113 VanDerWaalsContact CD-NH1 3.31Å; Q74-R113 VanDerWaalsContact OE1-CD 3.25Å |
| 75 | V | 86.8 | Confident | 80.9 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.036 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 131.6 | 178.6 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | S78 G79 Y80 L82 L95 F98 L110 | V75-S78 WeakPolarHBondContact CB-OG 3.49Å; V75-S78 WeakPolarHBondContact CG1-OG 3.46Å; V75-S78 PolarHBondContact O-N 3.34Å; V75-S78 PolarHBondContact O-OG 2.83Å; V75-G79 WeakPolarHBondContact O-CA 3.38Å; V75-G79 PolarHBondContact O-N 2.8Å; V75-Y80 PolarHBondContact N-O 3.22Å; V75-L82 HydrophobicContact CG2-CD1 4.16Å; V75-L82 HydrophobicContact CG2-CD2 3.73Å; V75-L82 HydrophobicContact CG2-CG 3.93Å; V75-L95 HydrophobicContact CG2-CD2 3.9Å; V75-F98 HydrophobicContact CG1-CB 4.36Å; V75-F98 HydrophobicContact CG1-CD2 3.86Å; V75-L110 HydrophobicContact CB-CD2 4.36Å; V75-L110 HydrophobicContact CG2-CD2 3.79Å |
| 76 | S | 82 | Confident | 81.5 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 30% | 0.301 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.2 | 174.4 | -177.7 | 0 | 0 | 0 | 0 | 110 | T109 | S76-T109 PolarHBondContact N-O 3.27Å |
| 77 | P | 75.3 | Confident | 81.9 | Confident | 121 Ų | 121 | 52 Ų | 52 | 79% | 0.786 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -96.2 | 7 | 15.2 | 38.2 | -37.8 | 0 | 0 | 0 | 115.9 | G79 | P77-G79 VanDerWaalsContact C-N 3.33Å; P77-G79 PolarHBondContact O-N 3.41Å |
| 78 | S | 76.4 | Confident | 82 | Confident | 83 Ų | 83 | 46.8 Ų | 46.8 | 58% | 0.58 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -21.8 | -173.4 | 56.7 | 0 | 0 | 0 | 0 | 114.9 | V75 Y80 | V75-S78 WeakPolarHBondContact CB-OG 3.49Å; V75-S78 WeakPolarHBondContact CG1-OG 3.46Å; V75-S78 PolarHBondContact O-N 3.34Å; V75-S78 PolarHBondContact O-OG 2.83Å; S78-Y80 PolarHBondContact O-N 3.41Å |
| 79 | G | 76.9 | Confident | 82.1 | Confident | 27 Ų | 27 | 47 Ų | 47 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | trans | 73.9 | 6.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q74 V75 P77 | Q74-G79 WeakPolarHBondContact CG-O 3.48Å; Q74-G79 PolarHBondContact NE2-O 2.7Å; V75-G79 WeakPolarHBondContact O-CA 3.38Å; V75-G79 PolarHBondContact O-N 2.8Å; P77-G79 VanDerWaalsContact C-N 3.33Å; P77-G79 PolarHBondContact O-N 3.41Å | ||
| 80 | Y | 82.1 | Confident | 82.2 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 29% | 0.29 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 127.8 | -176.1 | -176.7 | -101.9 | 0 | 0 | 0 | 111.7 | Q74 V75 S78 L82 M94 L95 | Q74-Y80 CarbonylContact C-O 3.59Å; Q74-Y80 WeakPolarHBondContact CA-O 3.41Å; Q74-Y80 WeakPolarHBondContact CG-O 3.41Å; V75-Y80 PolarHBondContact N-O 3.22Å; S78-Y80 PolarHBondContact O-N 3.41Å; Y80-L82 HydrophobicContact CD1-CD2 4.2Å; Y80-L82 HydrophobicContact CE1-CD2 4.27Å; Y80-M94 HydrophobicContact CE1-CB 4.31Å; Y80-M94 WeakPolarHBondContact OH-CE 3.43Å; Y80-M94 PolarHBondContact OH-SD 3.1Å; Y80-L95 HydrophobicContact CD1-CD2 4.01Å; Y80-L95 HydrophobicContact CE1-CD2 4.39Å |
| 81 | Y | 84.7 | Confident | 82.1 | Confident | 26 Ų | 26 | 45.5 Ų | 45.5 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -79.8 | 130.6 | 173.6 | -82.9 | -89.1 | 0 | 0 | 0 | 110.8 | A72 Q74 R113 L116 R119 D151 | A72-Y81 HydrophobicContact CB-CD1 4.28Å; A72-Y81 HydrophobicContact CB-CE1 4.27Å; Q74-Y81 HydrophobicContact CB-CD1 4.38Å; Q74-Y81 HydrophobicContact CG-CD2 4.34Å; Q74-Y81 HydrophobicContact CG-CG 4.39Å; Y81-R113 HydrophobicContact CE1-CG 4.14Å; Y81-R113 PolarHBondContact OH-NE 3.47Å; Y81-R113 PolarHBondContact OH-NH1 2.86Å; Y81-R113 PolarHBondContact OH-NH2 3.37Å; Y81-L116 HydrophobicContact CD1-CD1 4.37Å; Y81-L116 HydrophobicContact CD1-CG 4.44Å; Y81-L116 HydrophobicContact CD2-CD1 4.08Å; Y81-L116 HydrophobicContact CE1-CD1 4.36Å; Y81-L116 HydrophobicContact CE1-CD2 4.27Å; Y81-L116 HydrophobicContact CE1-CG 3.99Å; Y81-L116 HydrophobicContact CE2-CD1 4.08Å; Y81-L116 HydrophobicContact CE2-CD2 3.74Å; Y81-L116 HydrophobicContact CE2-CG 4.1Å; Y81-L116 HydrophobicContact CG-CD1 4.2Å; Y81-L116 WeakPolarHBondContact OH-CD2 3.27Å; Y81-R119 PolarHBondContact OH-NH1 3.3Å; Y81-D151 HydrophobicContact CD2-CB 4.07Å; Y81-D151 HydrophobicContact CE2-CB 4.19Å |
| 82 | L | 84.1 | Confident | 81.9 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -83.6 | 147.3 | 175.2 | -60.7 | 176 | 0 | 0 | 0 | 110.7 | L51 L73 V75 Y80 L88 L95 L110 | L51-L82 HydrophobicContact CD1-CB 3.74Å; L51-L82 HydrophobicContact CD1-CD1 3.73Å; L51-L82 HydrophobicContact CD1-CG 4.23Å; L73-L82 HydrophobicContact CB-CB 4.24Å; L73-L82 HydrophobicContact CB-CD1 3.98Å; L73-L82 HydrophobicContact CB-CG 4.45Å; L73-L82 PolarHBondContact O-N 2.72Å; V75-L82 HydrophobicContact CG2-CD1 4.16Å; V75-L82 HydrophobicContact CG2-CD2 3.73Å; V75-L82 HydrophobicContact CG2-CG 3.93Å; Y80-L82 HydrophobicContact CD1-CD2 4.2Å; Y80-L82 HydrophobicContact CE1-CD2 4.27Å; L82-L88 HydrophobicContact CD1-CD2 4.15Å; L82-L95 HydrophobicContact CD2-CD1 3.87Å; L82-L95 HydrophobicContact CD2-CD2 3.74Å; L82-L95 HydrophobicContact CD2-CG 4.34Å; L82-L110 HydrophobicContact CD1-CD1 4.26Å; L82-L110 HydrophobicContact CD1-CD2 3.94Å |
| 83 | D | 82.4 | Confident | 81.3 | Confident | 67 Ų | 67 | 58.5 Ų | 58.5 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 130.4 | 170.1 | -169.5 | -24.5 | 0 | 0 | 0 | 109 | E85 L86 | D83-E85 VanDerWaalsContact C-N 3.33Å; D83-E85 PolarHBondContact OD1-N 3.34Å; D83-L86 HydrophobicContact CB-CB 4.25Å; D83-L86 HydrophobicContact CB-CD1 4.06Å; D83-L86 HydrophobicContact CB-CG 4.16Å |
| 84 | T | 81.7 | Confident | 80.6 | Confident | 28 Ų | 28 | 63.6 Ų | 63.6 | 17% | 0.172 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -76.3 | -23.1 | -179.5 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | L51 G52 I55 L86 | L51-T84 PolarHBondContact N-O 3.22Å; G52-T84 WeakPolarHBondContact CA-O 3.44Å; G52-T84 PolarHBondContact N-O 3.48Å; I55-T84 HydrophobicContact CD1-CG2 3.6Å; T84-L86 VanDerWaalsContact C-N 3.33Å |
| 85 | E | 78.9 | Confident | 80.1 | Confident | 141 Ų | 141 | 62.9 Ų | 62.9 | 66% | 0.659 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -83.6 | -13.9 | -177.7 | -54 | -48.4 | 107.8 | 0 | 0 | 112.5 | D83 | D83-E85 VanDerWaalsContact C-N 3.33Å; D83-E85 PolarHBondContact OD1-N 3.34Å |
| 86 | L | 83.5 | Confident | 79.7 | Confident | 57 Ų | 57 | 70 Ų | 70 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -106 | 159.9 | -178.3 | -60.4 | 179.6 | 0 | 0 | 0 | 112.8 | P50 L51 D83 T84 E90 Q91 | P50-L86 WeakPolarHBondContact CA-O 3.48Å; L51-L86 PolarHBondContact N-O 3.14Å; D83-L86 HydrophobicContact CB-CB 4.25Å; D83-L86 HydrophobicContact CB-CD1 4.06Å; D83-L86 HydrophobicContact CB-CG 4.16Å; T84-L86 VanDerWaalsContact C-N 3.33Å; L86-E90 HydrophobicContact CB-CB 4.48Å; L86-Q91 HydrophobicContact CB-CG 3.86Å; L86-Q91 HydrophobicContact CD1-CG 3.88Å |
| 87 | S | 84.3 | Confident | 79.4 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 4% | 0.035 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -86.6 | 162.7 | 171 | 69 | 0 | 0 | 0 | 0 | 112.5 | G47 L49 E89 E90 Q91 | G47-S87 WeakPolarHBondContact O-CB 3.29Å; L49-S87 WeakPolarHBondContact O-CB 3.3Å; S87-E89 PolarHBondContact O-N 3.24Å; S87-E90 VanDerWaalsContact CB-OE2 3.24Å; S87-E90 WeakPolarHBondContact CB-OE2 3.46Å; S87-E90 PolarHBondContact N-OE2 2.78Å; S87-E90 PolarHBondContact O-N 3.38Å; S87-E90 VanDerWaalsContact OG-CD 3.31Å; S87-E90 WeakPolarHBondContact OG-CG 3.38Å; S87-E90 PolarHBondContact OG-N 2.94Å; S87-E90 PolarHBondContact OG-OE2 3.27Å; S87-Q91 PolarHBondContact O-N 3.44Å |
| 88 | L | 81.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -27 | 176.3 | -66.9 | 169 | 0 | 0 | 0 | 112.5 | V16 L45 G47 L51 L82 R92 L95 Y99 | V16-L88 HydrophobicContact CB-CD1 4.46Å; L45-L88 HydrophobicContact CB-CD1 4.13Å; L45-L88 HydrophobicContact CD1-CD1 4.12Å; G47-L88 PolarHBondContact O-N 2.92Å; L51-L88 HydrophobicContact CD1-CD2 3.99Å; L51-L88 HydrophobicContact CD1-CG 4.43Å; L51-L88 HydrophobicContact CD2-CD1 4.34Å; L51-L88 HydrophobicContact CD2-CD2 4.07Å; L51-L88 HydrophobicContact CD2-CG 3.94Å; L51-L88 HydrophobicContact CG-CD2 4.45Å; L51-L88 HydrophobicContact CG-CG 4.4Å; L82-L88 HydrophobicContact CD1-CD2 4.15Å; L88-R92 PolarHBondContact O-N 3.43Å; L88-L95 HydrophobicContact CD2-CD1 4.03Å; L88-Y99 WeakPolarHBondContact CB-OH 3.38Å; L88-Y99 PolarHBondContact O-OH 3.07Å |
| 89 | E | 78.8 | Confident | 80 | Confident | 95 Ų | 95 | 62.8 Ų | 62.8 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -42.9 | 173.5 | -177 | 108.1 | -101.3 | 0 | 0 | 111.8 | G47 S87 Q91 R92 | G47-E89 VanDerWaalsContact O-CB 3.31Å; G47-E89 WeakPolarHBondContact O-CB 3.26Å; G47-E89 PolarHBondContact O-N 3.11Å; S87-E89 PolarHBondContact O-N 3.24Å; E89-Q91 VanDerWaalsContact C-N 3.34Å; E89-Q91 PolarHBondContact O-N 2.93Å; E89-R92 WeakPolarHBondContact O-CB 3.28Å; E89-R92 PolarHBondContact O-N 2.68Å; E89-R92 IonicContact OE1-CZ 3.52Å; E89-R92 IonicContact OE1-NE 3.65Å; E89-R92 PolarHBondContact OE1-NE 2.99Å; E89-R92 IonicContact OE1-NH2 2.8Å; E89-R92 PolarHBondContact OE1-NH2 3.37Å |
| 90 | E | 78 | Confident | 80.2 | Confident | 128 Ų | 128 | 66 Ų | 66 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -33.4 | 178.3 | -72 | 160.8 | 127.7 | 0 | 0 | 112.3 | L86 S87 R92 | L86-E90 HydrophobicContact CB-CB 4.48Å; S87-E90 VanDerWaalsContact CB-OE2 3.24Å; S87-E90 WeakPolarHBondContact CB-OE2 3.46Å; S87-E90 PolarHBondContact N-OE2 2.78Å; S87-E90 PolarHBondContact O-N 3.38Å; S87-E90 VanDerWaalsContact OG-CD 3.31Å; S87-E90 WeakPolarHBondContact OG-CG 3.38Å; S87-E90 PolarHBondContact OG-N 2.94Å; S87-E90 PolarHBondContact OG-OE2 3.27Å; E90-R92 VanDerWaalsContact C-N 3.31Å |
| 91 | Q | 83 | Confident | 80.2 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 3% | 0.033 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 7.6 | 175 | -57.2 | -152.8 | -63.8 | 0 | 0 | 114.1 | L86 S87 E89 E93 M94 L95 | L86-Q91 HydrophobicContact CB-CG 3.86Å; L86-Q91 HydrophobicContact CD1-CG 3.88Å; S87-Q91 PolarHBondContact O-N 3.44Å; E89-Q91 VanDerWaalsContact C-N 3.34Å; E89-Q91 PolarHBondContact O-N 2.93Å; Q91-E93 VanDerWaalsContact C-N 3.3Å; Q91-E93 PolarHBondContact O-N 3.1Å; Q91-E93 VanDerWaalsContact O-N 3.13Å; Q91-M94 HydrophobicContact CB-CE 4.27Å; Q91-M94 HydrophobicContact CG-CE 4.34Å; Q91-M94 PolarHBondContact O-N 2.91Å; Q91-L95 HydrophobicContact CB-CD1 4.07Å; Q91-L95 WeakPolarHBondContact O-CG 3.46Å; Q91-L95 PolarHBondContact O-N 2.93Å |
| 92 | R | 79.1 | Confident | 80.1 | Confident | 100 Ų | 100 | 66.2 Ų | 66.2 | 38% | 0.377 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -53 | -38.4 | -170.1 | 176.8 | -178.9 | -68.7 | -70.3 | 7.3 | 114.6 | L88 E89 E90 M94 L95 E96 Y99 | L88-R92 PolarHBondContact O-N 3.43Å; E89-R92 WeakPolarHBondContact O-CB 3.28Å; E89-R92 PolarHBondContact O-N 2.68Å; E89-R92 IonicContact OE1-CZ 3.52Å; E89-R92 IonicContact OE1-NE 3.65Å; E89-R92 PolarHBondContact OE1-NE 2.99Å; E89-R92 IonicContact OE1-NH2 2.8Å; E89-R92 PolarHBondContact OE1-NH2 3.37Å; E90-R92 VanDerWaalsContact C-N 3.31Å; R92-M94 PolarHBondContact O-N 3.39Å; R92-L95 CarbonylContact O-C 3.54Å; R92-L95 PolarHBondContact O-N 3.43Å; R92-L95 VanDerWaalsContact O-N 3.1Å; R92-E96 PolarHBondContact O-N 3.39Å; R92-Y99 HydrophobicContact CB-CE2 4.13Å; R92-Y99 HydrophobicContact CG-CD2 4.02Å; R92-Y99 HydrophobicContact CG-CE2 3.95Å; R92-Y99 VanDerWaalsContact NH1-CD1 3.28Å; R92-Y99 VanDerWaalsContact NH1-CZ 3.28Å |
| 93 | E | 73.7 | Confident | 79.9 | Confident | 185 Ų | 185 | 70.2 Ų | 70.2 | 86% | 0.864 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -64.5 | -37.6 | -179.3 | -61.7 | -172.2 | 164.7 | 0 | 0 | 112.5 | Q91 L95 | Q91-E93 VanDerWaalsContact C-N 3.3Å; Q91-E93 PolarHBondContact O-N 3.1Å; Q91-E93 VanDerWaalsContact O-N 3.13Å; E93-L95 PolarHBondContact O-N 2.99Å |
| 94 | M | 71.9 | Confident | 79.9 | Confident | 110 Ų | 110 | 72.6 Ų | 72.6 | 54% | 0.542 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -79 | -7.4 | 176.6 | -60.2 | -176.8 | -67.5 | 0 | 0 | 112.5 | Y80 Q91 R92 | Y80-M94 HydrophobicContact CE1-CB 4.31Å; Y80-M94 WeakPolarHBondContact OH-CE 3.43Å; Y80-M94 PolarHBondContact OH-SD 3.1Å; Q91-M94 HydrophobicContact CB-CE 4.27Å; Q91-M94 HydrophobicContact CG-CE 4.34Å; Q91-M94 PolarHBondContact O-N 2.91Å; R92-M94 PolarHBondContact O-N 3.39Å |
| 95 | L | 77.7 | Confident | 79.8 | Confident | 5 Ų | 5 | 74.7 Ų | 74.7 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -113.2 | 20.6 | -176.4 | -64.1 | 179 | 0 | 0 | 0 | 113 | V75 Y80 L82 L88 Q91 R92 E93 G97 F98 Y99 | V75-L95 HydrophobicContact CG2-CD2 3.9Å; Y80-L95 HydrophobicContact CD1-CD2 4.01Å; Y80-L95 HydrophobicContact CE1-CD2 4.39Å; L82-L95 HydrophobicContact CD2-CD1 3.87Å; L82-L95 HydrophobicContact CD2-CD2 3.74Å; L82-L95 HydrophobicContact CD2-CG 4.34Å; L88-L95 HydrophobicContact CD2-CD1 4.03Å; Q91-L95 HydrophobicContact CB-CD1 4.07Å; Q91-L95 WeakPolarHBondContact O-CG 3.46Å; Q91-L95 PolarHBondContact O-N 2.93Å; R92-L95 CarbonylContact O-C 3.54Å; R92-L95 PolarHBondContact O-N 3.43Å; R92-L95 VanDerWaalsContact O-N 3.1Å; E93-L95 PolarHBondContact O-N 2.99Å; L95-G97 PolarHBondContact O-N 3.49Å; L95-F98 HydrophobicContact CB-CB 4.19Å; L95-F98 HydrophobicContact CB-CD1 4.28Å; L95-F98 HydrophobicContact CD2-CB 4.42Å; L95-F98 WeakPolarHBondContact O-CA 3.34Å; L95-F98 WeakPolarHBondContact O-CB 3.34Å; L95-F98 PolarHBondContact O-N 3.06Å; L95-Y99 HydrophobicContact CB-CD2 3.95Å; L95-Y99 HydrophobicContact CB-CE2 4.04Å; L95-Y99 HydrophobicContact CD1-CE2 4.5Å; L95-Y99 WeakPolarHBondContact O-CD2 3.44Å; L95-Y99 PolarHBondContact O-N 3.22Å |
| 96 | E | 77.9 | Confident | 79.9 | Confident | 156 Ų | 156 | 75 Ų | 75 | 73% | 0.729 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -49.7 | -51.5 | -178.7 | -174.1 | 177.2 | -144.5 | 0 | 0 | 112.3 | R92 F98 Y99 E100 | R92-E96 PolarHBondContact O-N 3.39Å; E96-F98 VanDerWaalsContact C-N 3.31Å; E96-F98 PolarHBondContact O-N 2.92Å; E96-Y99 CarbonylContact O-C 3.43Å; E96-Y99 PolarHBondContact O-N 3.17Å; E96-E100 WeakPolarHBondContact O-CB 3.32Å; E96-E100 PolarHBondContact O-N 2.94Å |
| 97 | G | 75.8 | Confident | 80.1 | Confident | 51 Ų | 51 | 76.4 Ų | 76.4 | 53% | 0.526 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.2 | -26.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | L95 E101 | L95-G97 PolarHBondContact O-N 3.49Å; G97-E101 PolarHBondContact O-N 3.28Å; G97-E101 VanDerWaalsContact O-N 3.1Å |
| 98 | F | 82.7 | Confident | 80.2 | Confident | 10 Ų | 10 | 76.2 Ų | 76.2 | 4% | 0.044 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -72.9 | -42.1 | 174 | 165.8 | -85.2 | 0 | 0 | 0 | 110.5 | V16 V18 V75 L95 E96 E100 E101 I102 P108 L110 | V16-F98 HydrophobicContact CG1-CE1 4.19Å; V16-F98 HydrophobicContact CG1-CZ 4.09Å; V18-F98 HydrophobicContact CG1-CE2 4.08Å; V18-F98 HydrophobicContact CG1-CZ 3.82Å; V75-F98 HydrophobicContact CG1-CB 4.36Å; V75-F98 HydrophobicContact CG1-CD2 3.86Å; L95-F98 HydrophobicContact CB-CB 4.19Å; L95-F98 HydrophobicContact CB-CD1 4.28Å; L95-F98 HydrophobicContact CD2-CB 4.42Å; L95-F98 WeakPolarHBondContact O-CA 3.34Å; L95-F98 WeakPolarHBondContact O-CB 3.34Å; L95-F98 PolarHBondContact O-N 3.06Å; E96-F98 VanDerWaalsContact C-N 3.31Å; E96-F98 PolarHBondContact O-N 2.92Å; F98-E100 VanDerWaalsContact C-N 3.34Å; F98-E101 PolarHBondContact O-N 3.19Å; F98-I102 HydrophobicContact CD1-CD1 3.8Å; F98-I102 HydrophobicContact CE1-CD1 3.56Å; F98-I102 HydrophobicContact CZ-CD1 4.14Å; F98-I102 WeakPolarHBondContact O-CD1 3.32Å; F98-I102 WeakPolarHBondContact O-CG1 3.34Å; F98-I102 PolarHBondContact O-N 3.23Å; F98-P108 HydrophobicContact CD2-CB 3.48Å; F98-P108 VanDerWaalsContact CD2-CB 3.48Å; F98-P108 HydrophobicContact CD2-CG 3.49Å; F98-P108 VanDerWaalsContact CD2-CG 3.49Å; F98-P108 HydrophobicContact CE1-CG 4.45Å; F98-P108 HydrophobicContact CE2-CB 3.72Å; F98-P108 HydrophobicContact CE2-CG 3.34Å; F98-P108 HydrophobicContact CG-CB 4.28Å; F98-P108 HydrophobicContact CG-CG 4.13Å; F98-P108 HydrophobicContact CZ-CG 3.86Å; F98-L110 HydrophobicContact CD2-CD2 4.5Å; F98-L110 HydrophobicContact CE2-CD2 3.83Å; F98-L110 HydrophobicContact CE2-CG 4.43Å |
| 99 | Y | 81.6 | Confident | 80.4 | Confident | 34 Ų | 34 | 77.3 Ų | 77.3 | 13% | 0.133 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.3 | -26.7 | 172 | -77.6 | -69.8 | 0 | 0 | 0 | 113.2 | V16 L88 R92 L95 E96 I102 S103 | V16-Y99 HydrophobicContact CG2-CE1 4.17Å; L88-Y99 WeakPolarHBondContact CB-OH 3.38Å; L88-Y99 PolarHBondContact O-OH 3.07Å; R92-Y99 HydrophobicContact CB-CE2 4.13Å; R92-Y99 HydrophobicContact CG-CD2 4.02Å; R92-Y99 HydrophobicContact CG-CE2 3.95Å; R92-Y99 VanDerWaalsContact NH1-CD1 3.28Å; R92-Y99 VanDerWaalsContact NH1-CZ 3.28Å; L95-Y99 HydrophobicContact CB-CD2 3.95Å; L95-Y99 HydrophobicContact CB-CE2 4.04Å; L95-Y99 HydrophobicContact CD1-CE2 4.5Å; L95-Y99 WeakPolarHBondContact O-CD2 3.44Å; L95-Y99 PolarHBondContact O-N 3.22Å; E96-Y99 CarbonylContact O-C 3.43Å; E96-Y99 PolarHBondContact O-N 3.17Å; Y99-I102 HydrophobicContact CD1-CD1 3.81Å; Y99-I102 HydrophobicContact CE1-CD1 4.08Å; Y99-I102 HydrophobicContact CG-CD1 4.5Å; Y99-I102 PolarHBondContact O-N 3.26Å; Y99-S103 PolarHBondContact O-N 2.85Å |
| 100 | E | 81.7 | Confident | 80.9 | Confident | 96 Ų | 96 | 72.9 Ų | 72.9 | 45% | 0.449 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.6 | -35.1 | 172.3 | -153.2 | -142.9 | -170.8 | 0 | 0 | 112.3 | E96 F98 I102 S103 K104 | E96-E100 WeakPolarHBondContact O-CB 3.32Å; E96-E100 PolarHBondContact O-N 2.94Å; F98-E100 VanDerWaalsContact C-N 3.34Å; E100-I102 VanDerWaalsContact C-N 3.35Å; E100-S103 PolarHBondContact O-OG 2.87Å; E100-S103 VanDerWaalsContact O-OG 3.07Å; E100-K104 WeakPolarHBondContact O-CB 3.24Å; E100-K104 WeakPolarHBondContact O-CD 3.44Å; E100-K104 WeakPolarHBondContact O-CG 3.34Å; E100-K104 PolarHBondContact O-N 2.83Å; E100-K104 VanDerWaalsContact O-N 3.09Å; E100-K104 WeakPolarHBondContact OE1-CE 3.44Å; E100-K104 IonicContact OE1-NZ 2.65Å; E100-K104 PolarHBondContact OE1-NZ 3.16Å; E100-K104 WeakPolarHBondContact OE2-CE 3.34Å; E100-K104 IonicContact OE2-NZ 2.64Å; E100-K104 PolarHBondContact OE2-NZ 3.38Å |
| 101 | E | 80.8 | Confident | 81.3 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 168.4 | -77.3 | -124.7 | 122.7 | 0 | 0 | 111.5 | G97 F98 K104 G105 R106 P108 | G97-E101 PolarHBondContact O-N 3.28Å; G97-E101 VanDerWaalsContact O-N 3.1Å; F98-E101 PolarHBondContact O-N 3.19Å; E101-K104 CarbonylContact O-C 3.44Å; E101-K104 PolarHBondContact O-N 3.22Å; E101-G105 PolarHBondContact O-N 3.33Å; E101-R106 HydrophobicContact CB-CB 4.23Å; E101-R106 WeakPolarHBondContact O-CA 3.36Å; E101-R106 VanDerWaalsContact O-CB 3.28Å; E101-R106 WeakPolarHBondContact O-CB 3.23Å; E101-R106 PolarHBondContact O-N 3.07Å; E101-R106 VanDerWaalsContact OE1-CD 3.28Å; E101-R106 WeakPolarHBondContact OE1-CD 3.48Å; E101-R106 IonicContact OE1-CZ 3.98Å; E101-R106 IonicContact OE1-NH1 3.04Å; E101-R106 PolarHBondContact OE1-NH1 3.25Å; E101-P108 HydrophobicContact CB-CB 4.37Å |
| 102 | I | 83.1 | Confident | 81.5 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 28% | 0.282 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 177.9 | -66 | 160.1 | 0 | 0 | 0 | 111 | V16 F98 Y99 E100 K104 G105 P108 | V16-I102 HydrophobicContact CG1-CD1 3.46Å; V16-I102 VanDerWaalsContact CG1-CD1 3.46Å; V16-I102 HydrophobicContact CG1-CG1 4.38Å; F98-I102 HydrophobicContact CD1-CD1 3.8Å; F98-I102 HydrophobicContact CE1-CD1 3.56Å; F98-I102 HydrophobicContact CZ-CD1 4.14Å; F98-I102 WeakPolarHBondContact O-CD1 3.32Å; F98-I102 WeakPolarHBondContact O-CG1 3.34Å; F98-I102 PolarHBondContact O-N 3.23Å; Y99-I102 HydrophobicContact CD1-CD1 3.81Å; Y99-I102 HydrophobicContact CE1-CD1 4.08Å; Y99-I102 HydrophobicContact CG-CD1 4.5Å; Y99-I102 PolarHBondContact O-N 3.26Å; E100-I102 VanDerWaalsContact C-N 3.35Å; I102-K104 VanDerWaalsContact C-N 3.26Å; I102-K104 PolarHBondContact O-N 3.33Å; I102-G105 WeakPolarHBondContact O-CA 3.25Å; I102-G105 PolarHBondContact O-N 3.03Å; I102-P108 HydrophobicContact CD1-CG 3.98Å; I102-P108 HydrophobicContact CG1-CG 3.77Å |
| 103 | S | 80.1 | Confident | 81.9 | Confident | 97 Ų | 97 | 63.3 Ų | 63.3 | 68% | 0.678 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.8 | -29.6 | 177.5 | 75 | 0 | 0 | 0 | 0 | 112.6 | Y99 E100 G105 | Y99-S103 PolarHBondContact O-N 2.85Å; E100-S103 PolarHBondContact O-OG 2.87Å; E100-S103 VanDerWaalsContact O-OG 3.07Å; S103-G105 PolarHBondContact O-N 3.4Å |
| 104 | K | 82.6 | Confident | 82.5 | Confident | 116 Ų | 116 | 54.5 Ų | 54.5 | 50% | 0.504 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 9.7 | 169.8 | -69 | 168.5 | -176.7 | 175.3 | 0 | 113.8 | E100 E101 I102 R106 | E100-K104 WeakPolarHBondContact O-CB 3.24Å; E100-K104 WeakPolarHBondContact O-CD 3.44Å; E100-K104 WeakPolarHBondContact O-CG 3.34Å; E100-K104 PolarHBondContact O-N 2.83Å; E100-K104 VanDerWaalsContact O-N 3.09Å; E100-K104 WeakPolarHBondContact OE1-CE 3.44Å; E100-K104 IonicContact OE1-NZ 2.65Å; E100-K104 PolarHBondContact OE1-NZ 3.16Å; E100-K104 WeakPolarHBondContact OE2-CE 3.34Å; E100-K104 IonicContact OE2-NZ 2.64Å; E100-K104 PolarHBondContact OE2-NZ 3.38Å; E101-K104 CarbonylContact O-C 3.44Å; E101-K104 PolarHBondContact O-N 3.22Å; I102-K104 VanDerWaalsContact C-N 3.26Å; I102-K104 PolarHBondContact O-N 3.33Å; K104-R106 VanDerWaalsContact C-N 3.25Å; K104-R106 HydrophobicContact CB-CG 4.48Å; K104-R106 PolarHBondContact O-N 3.02Å |
| 105 | G | 78.3 | Confident | 83.2 | Confident | 72 Ų | 72 | 52.7 Ų | 52.7 | 74% | 0.742 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 16.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E101 I102 S103 | E101-G105 PolarHBondContact O-N 3.33Å; I102-G105 WeakPolarHBondContact O-CA 3.25Å; I102-G105 PolarHBondContact O-N 3.03Å; S103-G105 PolarHBondContact O-N 3.4Å |
| 106 | R | 82.9 | Confident | 83.7 | Confident | 148 Ų | 148 | 53.6 Ų | 53.6 | 56% | 0.558 | 29% | 0.287 | S | S | * | . | trans | -92.8 | 159.6 | 176.9 | -56.5 | 179.5 | 174.8 | -172.4 | -1.1 | 110.1 | E101 K104 | E101-R106 HydrophobicContact CB-CB 4.23Å; E101-R106 WeakPolarHBondContact O-CA 3.36Å; E101-R106 VanDerWaalsContact O-CB 3.28Å; E101-R106 WeakPolarHBondContact O-CB 3.23Å; E101-R106 PolarHBondContact O-N 3.07Å; E101-R106 VanDerWaalsContact OE1-CD 3.28Å; E101-R106 WeakPolarHBondContact OE1-CD 3.48Å; E101-R106 IonicContact OE1-CZ 3.98Å; E101-R106 IonicContact OE1-NH1 3.04Å; E101-R106 PolarHBondContact OE1-NH1 3.25Å; K104-R106 VanDerWaalsContact C-N 3.25Å; K104-R106 HydrophobicContact CB-CG 4.48Å; K104-R106 PolarHBondContact O-N 3.02Å | ||
| 107 | K | 85.9 | Confident | 84.1 | Confident | 86 Ų | 86 | 47.4 Ų | 47.4 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | trans | -105.2 | 103.2 | 172.5 | -63.5 | -172.1 | 174.3 | -170.4 | 0 | 107.6 | T17 R19 T42 | T17-K107 HydrophobicContact CG2-CD 3.89Å; T17-K107 VanDerWaalsContact CG2-NZ 3.3Å; T17-K107 WeakPolarHBondContact O-CG 3.49Å; R19-K107 HydrophobicContact CG-CB 4.01Å; T42-K107 HydrophobicContact CG2-CD 3.63Å | ||
| 108 | P | 86.2 | Confident | 84.6 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | trans | -64.2 | 160.7 | 179.3 | 28.8 | -36 | 0 | 0 | 0 | 110.3 | R19 F98 E101 I102 | R19-P108 PolarHBondContact N-O 3.18Å; F98-P108 HydrophobicContact CD2-CB 3.48Å; F98-P108 VanDerWaalsContact CD2-CB 3.48Å; F98-P108 HydrophobicContact CD2-CG 3.49Å; F98-P108 VanDerWaalsContact CD2-CG 3.49Å; F98-P108 HydrophobicContact CE1-CG 4.45Å; F98-P108 HydrophobicContact CE2-CB 3.72Å; F98-P108 HydrophobicContact CE2-CG 3.34Å; F98-P108 HydrophobicContact CG-CB 4.28Å; F98-P108 HydrophobicContact CG-CG 4.13Å; F98-P108 HydrophobicContact CZ-CG 3.86Å; E101-P108 HydrophobicContact CB-CB 4.37Å; I102-P108 HydrophobicContact CD1-CG 3.98Å; I102-P108 HydrophobicContact CG1-CG 3.77Å | ||
| 109 | T | 86.7 | Confident | 84.9 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 14% | 0.135 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.4 | -172.4 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | R19 Q21 S76 | R19-T109 HydrophobicContact CB-CG2 4.14Å; R19-T109 CarbonylContact O-C 3.56Å; R19-T109 WeakPolarHBondContact O-CA 3.48Å; Q21-T109 HydrophobicContact CG-CG2 4.16Å; S76-T109 PolarHBondContact N-O 3.27Å |
| 110 | L | 88.3 | Confident | 85.4 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140.9 | 169.3 | -59 | -175.1 | 0 | 0 | 0 | 109.9 | V18 R19 V20 Q21 L45 Q74 V75 L82 F98 | V18-L110 HydrophobicContact CB-CD1 4.41Å; V18-L110 HydrophobicContact CB-CG 4.34Å; V18-L110 HydrophobicContact CG1-CD1 4.11Å; V18-L110 HydrophobicContact CG1-CG 4.25Å; V18-L110 HydrophobicContact CG2-CD1 4.25Å; R19-L110 PolarHBondContact O-N 3.07Å; V20-L110 CarbonylContact C-O 3.57Å; V20-L110 WeakPolarHBondContact CA-O 3.46Å; Q21-L110 PolarHBondContact N-O 3.4Å; L45-L110 HydrophobicContact CD1-CD1 3.67Å; Q74-L110 CarbonylContact O-C 3.56Å; Q74-L110 WeakPolarHBondContact O-CA 3.19Å; V75-L110 HydrophobicContact CB-CD2 4.36Å; V75-L110 HydrophobicContact CG2-CD2 3.79Å; L82-L110 HydrophobicContact CD1-CD1 4.26Å; L82-L110 HydrophobicContact CD1-CD2 3.94Å; F98-L110 HydrophobicContact CD2-CD2 4.5Å; F98-L110 HydrophobicContact CE2-CD2 3.83Å; F98-L110 HydrophobicContact CE2-CG 4.43Å |
| 111 | I | 87.4 | Confident | 85.7 | Confident | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.087 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 116.5 | 174.9 | -57.9 | 178.2 | 0 | 0 | 0 | 107.5 | Q21 L23 P35 L73 Q74 R113 | Q21-I111 CarbonylContact O-C 3.57Å; Q21-I111 WeakPolarHBondContact O-CA 3.31Å; L23-I111 HydrophobicContact CB-CG2 3.58Å; P35-I111 HydrophobicContact CG-CD1 4.38Å; L73-I111 WeakPolarHBondContact CA-O 3.47Å; Q74-I111 PolarHBondContact N-O 3.41Å; Q74-I111 PolarHBondContact O-N 2.74Å; I111-R113 HydrophobicContact CG2-CB 4.39Å |
| 112 | L | 87.1 | Confident | 86.1 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 124.2 | 165 | -174.3 | 72.5 | 0 | 0 | 0 | 107.8 | Q21 Y22 L23 I55 H59 L62 A64 C71 A72 L73 | Q21-L112 PolarHBondContact O-N 2.88Å; Y22-L112 CarbonylContact C-O 3.52Å; Y22-L112 WeakPolarHBondContact CA-O 3.5Å; Y22-L112 WeakPolarHBondContact CD2-O 3.26Å; L23-L112 PolarHBondContact N-O 3.18Å; I55-L112 HydrophobicContact CG2-CD1 4.42Å; H59-L112 HydrophobicContact CB-CD2 4.21Å; L62-L112 HydrophobicContact CD1-CB 3.8Å; L62-L112 HydrophobicContact CD1-CD2 3.9Å; A64-L112 HydrophobicContact CB-CD2 4.07Å; C71-L112 HydrophobicContact CB-CD1 3.97Å; A72-L112 WeakPolarHBondContact O-CA 3.39Å; L73-L112 HydrophobicContact CD2-CB 4.27Å; L73-L112 HydrophobicContact CD2-CD1 3.78Å |
| 113 | R | 88.3 | Confident | 86.5 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 6% | 0.06 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 175 | -177.9 | 67.4 | -173.9 | -62.2 | -155 | -7.3 | 111 | L23 D25 A72 Q74 Y81 I111 R119 D149 | L23-R113 HydrophobicContact CB-CB 4.14Å; D25-R113 WeakPolarHBondContact OD1-CB 3.3Å; D25-R113 IonicContact OD2-CZ 2.69Å; D25-R113 IonicContact OD2-NE 3.44Å; D25-R113 PolarHBondContact OD2-NE 3.31Å; D25-R113 IonicContact OD2-NH2 3.64Å; D25-R113 PolarHBondContact OD2-NH2 3.24Å; A72-R113 PolarHBondContact N-O 3.07Å; A72-R113 PolarHBondContact O-N 3.23Å; Q74-R113 VanDerWaalsContact CD-NH1 3.31Å; Q74-R113 VanDerWaalsContact OE1-CD 3.25Å; Y81-R113 HydrophobicContact CE1-CG 4.14Å; Y81-R113 PolarHBondContact OH-NE 3.47Å; Y81-R113 PolarHBondContact OH-NH1 2.86Å; Y81-R113 PolarHBondContact OH-NH2 3.37Å; I111-R113 HydrophobicContact CG2-CB 4.39Å; R113-R119 VanDerWaalsContact NH2-NH1 3.14Å; R113-R119 VanDerWaalsContact NH2-NH2 3.17Å; R113-D149 IonicContact CZ-OD2 3.2Å; R113-D149 IonicContact NH1-OD2 3.09Å; R113-D149 PolarHBondContact NH1-OD2 2.82Å; R113-D149 IonicContact NH2-OD2 3.44Å; R113-D149 PolarHBondContact NH2-OD2 2.8Å |
| 114 | T | 86.5 | Confident | 87 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 142.5 | 178.9 | -46.5 | 0 | 0 | 0 | 0 | 111.3 | D25 T26 L66 D70 V118 R119 | D25-T114 WeakPolarHBondContact OD1-CB 3.22Å; D25-T114 PolarHBondContact OD1-N 3.2Å; D25-T114 PolarHBondContact OD1-OG1 2.79Å; D25-T114 VanDerWaalsContact OD1-OG1 3.12Å; T26-T114 PolarHBondContact N-OG1 3.37Å; L66-T114 HydrophobicContact CD2-CG2 4.27Å; L66-T114 WeakPolarHBondContact CD2-OG1 3.17Å; D70-T114 CarbonylContact O-C 3.56Å; D70-T114 WeakPolarHBondContact O-CA 3.17Å; T114-V118 HydrophobicContact CG2-CB 3.96Å; T114-V118 HydrophobicContact CG2-CG1 3.73Å; T114-R119 HydrophobicContact CG2-CG 3.86Å; T114-R119 WeakPolarHBondContact O-CD 3.39Å |
| 115 | Q | 86.4 | Confident | 87.4 | Confident | 72 Ų | 72 | 38.7 Ų | 38.7 | 34% | 0.336 | 21% | 0.208 | S | C | . | . | trans | -60.5 | 143.9 | 178.6 | -162.8 | -178.3 | 45.7 | 0 | 0 | 111.9 | D70 A72 S117 V118 R119 | D70-Q115 PolarHBondContact O-N 3.27Å; A72-Q115 HydrophobicContact CB-CB 4.37Å; Q115-S117 VanDerWaalsContact CD-OG 3.31Å; Q115-S117 WeakPolarHBondContact CG-OG 3.29Å; Q115-S117 PolarHBondContact O-N 2.58Å; Q115-S117 PolarHBondContact OE1-OG 3.12Å; Q115-V118 HydrophobicContact CB-CB 4.49Å; Q115-V118 HydrophobicContact CB-CG2 4.19Å; Q115-V118 PolarHBondContact O-N 2.93Å; Q115-R119 WeakPolarHBondContact O-CG 3.37Å; Q115-R119 PolarHBondContact O-N 3.36Å | ||
| 116 | L | 87.3 | Confident | 87.9 | Confident | 23 Ų | 23 | 37.5 Ų | 37.5 | 12% | 0.12 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.2 | -46.8 | -177.3 | -71.5 | 166.5 | 0 | 0 | 0 | 112.4 | Y81 V118 R119 V120 D151 L152 E155 | Y81-L116 HydrophobicContact CD1-CD1 4.37Å; Y81-L116 HydrophobicContact CD1-CG 4.44Å; Y81-L116 HydrophobicContact CD2-CD1 4.08Å; Y81-L116 HydrophobicContact CE1-CD1 4.36Å; Y81-L116 HydrophobicContact CE1-CD2 4.27Å; Y81-L116 HydrophobicContact CE1-CG 3.99Å; Y81-L116 HydrophobicContact CE2-CD1 4.08Å; Y81-L116 HydrophobicContact CE2-CD2 3.74Å; Y81-L116 HydrophobicContact CE2-CG 4.1Å; Y81-L116 HydrophobicContact CG-CD1 4.2Å; Y81-L116 WeakPolarHBondContact OH-CD2 3.27Å; L116-V118 PolarHBondContact O-N 3.38Å; L116-R119 PolarHBondContact O-N 3.23Å; L116-V120 WeakPolarHBondContact O-CB 3.43Å; L116-V120 WeakPolarHBondContact O-CG2 3.4Å; L116-V120 PolarHBondContact O-N 3.1Å; L116-D151 HydrophobicContact CD1-CB 4.11Å; L116-D151 HydrophobicContact CD2-CB 4.48Å; L116-L152 HydrophobicContact CB-CD2 4.43Å; L116-L152 HydrophobicContact CD2-CD2 3.57Å; L116-L152 HydrophobicContact CD2-CG 3.82Å; L116-E155 HydrophobicContact CB-CG 3.96Å |
| 117 | S | 86.2 | Confident | 88.2 | Confident | 27 Ų | 27 | 30.7 Ų | 30.7 | 19% | 0.189 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.3 | -46.1 | 175.4 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | Q115 V120 N121 | Q115-S117 VanDerWaalsContact CD-OG 3.31Å; Q115-S117 WeakPolarHBondContact CG-OG 3.29Å; Q115-S117 PolarHBondContact O-N 2.58Å; Q115-S117 PolarHBondContact OE1-OG 3.12Å; S117-V120 PolarHBondContact O-N 3.2Å; S117-N121 PolarHBondContact O-N 2.94Å; S117-N121 PolarHBondContact O-ND2 2.96Å |
| 118 | V | 87.7 | Confident | 88.4 | Confident | 44 Ų | 44 | 31.6 Ų | 31.6 | 27% | 0.267 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.6 | -43 | 178.2 | 177 | 0 | 0 | 0 | 0 | 110.6 | D70 T114 Q115 L116 N121 A122 | D70-V118 HydrophobicContact CB-CG2 4.34Å; T114-V118 HydrophobicContact CG2-CB 3.96Å; T114-V118 HydrophobicContact CG2-CG1 3.73Å; Q115-V118 HydrophobicContact CB-CB 4.49Å; Q115-V118 HydrophobicContact CB-CG2 4.19Å; Q115-V118 PolarHBondContact O-N 2.93Å; L116-V118 PolarHBondContact O-N 3.38Å; V118-N121 PolarHBondContact O-N 3.24Å; V118-A122 PolarHBondContact O-N 3.3Å |
| 119 | R | 88.9 | Confident | 88.5 | Confident | 13 Ų | 13 | 36 Ų | 36 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.3 | -39 | 175.8 | -68.2 | 172.4 | 66.3 | -137.4 | 7.2 | 112.4 | D25 Y81 R113 T114 Q115 L116 A122 I123 D149 L152 | D25-R119 VanDerWaalsContact OD2-CD 3.29Å; D25-R119 WeakPolarHBondContact OD2-CD 3.37Å; D25-R119 IonicContact OD2-CZ 3.71Å; D25-R119 VanDerWaalsContact OD2-CZ 3.28Å; D25-R119 IonicContact OD2-NE 3.47Å; D25-R119 PolarHBondContact OD2-NE 2.98Å; D25-R119 IonicContact OD2-NH1 3.41Å; D25-R119 IonicContact OD2-NH2 2.91Å; Y81-R119 PolarHBondContact OH-NH1 3.3Å; R113-R119 VanDerWaalsContact NH2-NH1 3.14Å; R113-R119 VanDerWaalsContact NH2-NH2 3.17Å; T114-R119 HydrophobicContact CG2-CG 3.86Å; T114-R119 WeakPolarHBondContact O-CD 3.39Å; Q115-R119 WeakPolarHBondContact O-CG 3.37Å; Q115-R119 PolarHBondContact O-N 3.36Å; L116-R119 PolarHBondContact O-N 3.23Å; R119-A122 PolarHBondContact O-N 2.76Å; R119-I123 WeakPolarHBondContact O-CG1 3.28Å; R119-I123 PolarHBondContact O-N 2.96Å; R119-D149 IonicContact CZ-OD2 2.61Å; R119-D149 VanDerWaalsContact CZ-OD2 3.29Å; R119-D149 IonicContact NH1-OD2 3.05Å; R119-D149 PolarHBondContact NH1-OD2 3.37Å; R119-D149 IonicContact NH2-OD2 3.33Å; R119-D149 PolarHBondContact NH2-OD2 3.46Å; R119-L152 HydrophobicContact CB-CD2 4.08Å |
| 120 | V | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -46.7 | 173.4 | 164.3 | 0 | 0 | 0 | 0 | 110.9 | L116 S117 A122 I123 L124 L152 E155 F156 S159 | L116-V120 WeakPolarHBondContact O-CB 3.43Å; L116-V120 WeakPolarHBondContact O-CG2 3.4Å; L116-V120 PolarHBondContact O-N 3.1Å; S117-V120 PolarHBondContact O-N 3.2Å; V120-A122 VanDerWaalsContact C-N 3.32Å; V120-A122 PolarHBondContact O-N 3.42Å; V120-I123 WeakPolarHBondContact O-CA 3.47Å; V120-I123 WeakPolarHBondContact O-CB 3.24Å; V120-I123 PolarHBondContact O-N 3.31Å; V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.43Å; V120-L124 WeakPolarHBondContact O-CG 3.4Å; V120-L124 PolarHBondContact O-N 2.85Å; V120-L152 HydrophobicContact CG2-CD2 3.81Å; V120-E155 HydrophobicContact CG2-CB 3.85Å; V120-F156 HydrophobicContact CG1-CB 4.4Å; V120-F156 HydrophobicContact CG1-CD2 4.26Å; V120-F156 HydrophobicContact CG2-CB 4.19Å; V120-S159 WeakPolarHBondContact CG1-OG 3.17Å |
| 121 | N | 89.4 | Confident | 88.5 | Confident | 82 Ų | 82 | 39.8 Ų | 39.8 | 44% | 0.439 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 176.1 | -77.4 | -70.8 | 0 | 0 | 0 | 111.7 | S117 V118 I123 L124 E125 | S117-N121 PolarHBondContact O-N 2.94Å; S117-N121 PolarHBondContact O-ND2 2.96Å; V118-N121 PolarHBondContact O-N 3.24Å; N121-I123 VanDerWaalsContact C-N 3.32Å; N121-I123 PolarHBondContact O-N 3.3Å; N121-L124 PolarHBondContact O-N 3.39Å; N121-L124 VanDerWaalsContact O-N 3.11Å; N121-E125 WeakPolarHBondContact O-CG 3.33Å; N121-E125 PolarHBondContact O-N 3.25Å |
| 122 | A | 88.9 | Confident | 88.4 | Confident | 28 Ų | 28 | 40.4 Ų | 40.4 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -35.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V118 R119 V120 K126 | V118-A122 PolarHBondContact O-N 3.3Å; R119-A122 PolarHBondContact O-N 2.76Å; V120-A122 VanDerWaalsContact C-N 3.32Å; V120-A122 PolarHBondContact O-N 3.42Å; A122-K126 WeakPolarHBondContact O-CB 3.4Å; A122-K126 PolarHBondContact O-N 3.37Å; A122-K126 VanDerWaalsContact O-N 3.12Å |
| 123 | I | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 170.6 | -68.9 | 166.2 | 0 | 0 | 0 | 110.4 | P28 F29 R119 V120 N121 K126 L127 L142 I145 F156 | P28-I123 HydrophobicContact CB-CD1 4.36Å; P28-I123 HydrophobicContact CB-CG1 4.23Å; P28-I123 HydrophobicContact CG-CD1 4.12Å; P28-I123 HydrophobicContact CG-CG1 3.52Å; F29-I123 HydrophobicContact CE2-CG1 4.15Å; F29-I123 HydrophobicContact CZ-CB 4.48Å; F29-I123 HydrophobicContact CZ-CG1 4.18Å; F29-I123 HydrophobicContact CZ-CG2 4.23Å; R119-I123 WeakPolarHBondContact O-CG1 3.28Å; R119-I123 PolarHBondContact O-N 2.96Å; V120-I123 WeakPolarHBondContact O-CA 3.47Å; V120-I123 WeakPolarHBondContact O-CB 3.24Å; V120-I123 PolarHBondContact O-N 3.31Å; N121-I123 VanDerWaalsContact C-N 3.32Å; N121-I123 PolarHBondContact O-N 3.3Å; I123-K126 PolarHBondContact O-N 3.48Å; I123-L127 HydrophobicContact CG2-CD1 3.82Å; I123-L127 HydrophobicContact CG2-CG 4.3Å; I123-L127 WeakPolarHBondContact O-CB 3.25Å; I123-L127 VanDerWaalsContact O-CG 3.27Å; I123-L127 WeakPolarHBondContact O-CG 3.19Å; I123-L127 PolarHBondContact O-N 3.39Å; I123-L142 HydrophobicContact CG2-CD1 3.73Å; I123-I145 HydrophobicContact CD1-CG2 4.04Å; I123-F156 HydrophobicContact CG2-CD2 4.46Å; I123-F156 HydrophobicContact CG2-CE2 3.93Å |
| 124 | L | 91 | Very high | 88.2 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.6 | -45.8 | -175 | -62.3 | 170.3 | 0 | 0 | 0 | 112.4 | V120 N121 K126 L127 Y128 F156 S159 C164 | V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.43Å; V120-L124 WeakPolarHBondContact O-CG 3.4Å; V120-L124 PolarHBondContact O-N 2.85Å; N121-L124 PolarHBondContact O-N 3.39Å; N121-L124 VanDerWaalsContact O-N 3.11Å; L124-K126 VanDerWaalsContact C-N 3.3Å; L124-K126 PolarHBondContact O-N 3.35Å; L124-L127 PolarHBondContact O-N 3.21Å; L124-Y128 VanDerWaalsContact O-CD2 3.26Å; L124-Y128 WeakPolarHBondContact O-CD2 3.22Å; L124-Y128 PolarHBondContact O-N 3.4Å; L124-F156 HydrophobicContact CD2-CD2 4.32Å; L124-F156 HydrophobicContact CD2-CE2 3.65Å; L124-F156 HydrophobicContact CD2-CZ 4.23Å; L124-F156 HydrophobicContact CG-CE2 4.45Å; L124-S159 WeakPolarHBondContact CD1-O 3.49Å; L124-C164 HydrophobicContact CD2-CB 3.7Å |
| 125 | E | 90.2 | Very high | 88.3 | Confident | 143 Ų | 143 | 50.1 Ų | 50.1 | 67% | 0.668 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -57.8 | -44.3 | 173.2 | -73 | -168.2 | 150.2 | 0 | 0 | 111.1 | N121 Y128 S129 | N121-E125 WeakPolarHBondContact O-CG 3.33Å; N121-E125 PolarHBondContact O-N 3.25Å; E125-Y128 PolarHBondContact O-N 2.93Å; E125-S129 VanDerWaalsContact O-CB 3.28Å; E125-S129 WeakPolarHBondContact O-CB 3.2Å; E125-S129 PolarHBondContact O-N 3.25Å; E125-S129 PolarHBondContact O-OG 3.32Å |
| 126 | K | 88.9 | Confident | 88.4 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.3 | -35.6 | 178.9 | -167.2 | 149 | 168.8 | 177.8 | 0 | 112.2 | D27 F29 A122 I123 L124 S130 | D27-K126 IonicContact OD1-NZ 3.48Å; D27-K126 PolarHBondContact OD1-NZ 3.14Å; D27-K126 IonicContact OD2-NZ 3.84Å; D27-K126 PolarHBondContact OD2-NZ 2.85Å; F29-K126 HydrophobicContact CD2-CD 3.57Å; F29-K126 HydrophobicContact CD2-CG 4.27Å; F29-K126 HydrophobicContact CE2-CB 4.08Å; F29-K126 HydrophobicContact CE2-CD 3.74Å; F29-K126 HydrophobicContact CE2-CG 3.97Å; A122-K126 WeakPolarHBondContact O-CB 3.4Å; A122-K126 PolarHBondContact O-N 3.37Å; A122-K126 VanDerWaalsContact O-N 3.12Å; I123-K126 PolarHBondContact O-N 3.48Å; L124-K126 VanDerWaalsContact C-N 3.3Å; L124-K126 PolarHBondContact O-N 3.35Å; K126-S130 WeakPolarHBondContact O-CB 3.43Å; K126-S130 PolarHBondContact O-N 2.88Å; K126-S130 PolarHBondContact O-OG 2.96Å |
| 127 | L | 90.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.3 | -32.2 | 173.7 | -72.9 | 176.7 | 0 | 0 | 0 | 113.5 | I123 L124 L135 L139 L142 L165 | I123-L127 HydrophobicContact CG2-CD1 3.82Å; I123-L127 HydrophobicContact CG2-CG 4.3Å; I123-L127 WeakPolarHBondContact O-CB 3.25Å; I123-L127 VanDerWaalsContact O-CG 3.27Å; I123-L127 WeakPolarHBondContact O-CG 3.19Å; I123-L127 PolarHBondContact O-N 3.39Å; L124-L127 PolarHBondContact O-N 3.21Å; L127-L135 HydrophobicContact CD2-CD1 4.09Å; L127-L139 HydrophobicContact CD2-CD2 3.64Å; L127-L139 HydrophobicContact CD2-CG 4.17Å; L127-L142 HydrophobicContact CD1-CD2 4.21Å; L127-L165 HydrophobicContact CD1-CD2 4.26Å |
| 128 | Y | 89.2 | Confident | 88.6 | Confident | 106 Ų | 106 | 57.4 Ų | 57.4 | 42% | 0.416 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -83.5 | -29.7 | 176.7 | -75.6 | -52.8 | 0 | 0 | 0 | 114.2 | L124 E125 C164 | L124-Y128 VanDerWaalsContact O-CD2 3.26Å; L124-Y128 WeakPolarHBondContact O-CD2 3.22Å; L124-Y128 PolarHBondContact O-N 3.4Å; E125-Y128 PolarHBondContact O-N 2.93Å; Y128-C164 HydrophobicContact CE1-CB 4.31Å; Y128-C164 HydrophobicContact CE2-CB 4.04Å; Y128-C164 WeakPolarHBondContact OH-CA 3.45Å |
| 129 | S | 88.4 | Confident | 88.7 | Confident | 94 Ų | 94 | 55.4 Ų | 55.4 | 66% | 0.657 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -91.9 | -29.8 | -179 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | E125 | E125-S129 VanDerWaalsContact O-CB 3.28Å; E125-S129 WeakPolarHBondContact O-CB 3.2Å; E125-S129 PolarHBondContact O-N 3.25Å; E125-S129 PolarHBondContact O-OG 3.32Å |
| 130 | S | 88.4 | Confident | 88.7 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 8% | 0.077 | 31% | 0.313 | C | S | . | . | trans | -68.9 | 145.1 | 178.8 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | K126 | K126-S130 WeakPolarHBondContact O-CB 3.43Å; K126-S130 PolarHBondContact O-N 2.88Å; K126-S130 PolarHBondContact O-OG 2.96Å | ||
| 131 | S | 86.1 | Confident | 88.6 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 64% | 0.643 | 32% | 0.32 | S | S | * | . | trans | -135.7 | 163.2 | 169.7 | 65.2 | 0 | 0 | 0 | 0 | 112 | E134 | S131-E134 PolarHBondContact O-N 3.46Š| ||
| 132 | G | 86.2 | Confident | 88.7 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | 54.4 | -129.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | E134 L135 R136 Y176 | G132-E134 PolarHBondContact O-N 2.79Å; G132-L135 PolarHBondContact O-N 2.77Å; G132-R136 PolarHBondContact O-N 3.22Å; G132-R136 VanDerWaalsContact O-N 3.12Å; G132-Y176 PolarHBondContact O-OH 3.4Å |
| 133 | P | 85.8 | Confident | 88.7 | Confident | 96 Ų | 96 | 57.3 Ų | 57.3 | 62% | 0.623 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.3 | -20.9 | -177 | -23.3 | 34.2 | 0 | 0 | 0 | 115.5 | R137 | P133-R137 WeakPolarHBondContact O-CG 3.19Å; P133-R137 PolarHBondContact O-NH1 2.91Å |
| 134 | E | 85.7 | Confident | 88.7 | Confident | 107 Ų | 107 | 60.6 Ų | 60.6 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -78.5 | -51 | 177.7 | -170.6 | 166.5 | -159.3 | 0 | 0 | 110.5 | S131 G132 R136 R137 S138 | S131-E134 PolarHBondContact O-N 3.46Å; G132-E134 PolarHBondContact O-N 2.79Å; E134-R136 PolarHBondContact O-N 2.91Å; E134-R137 WeakPolarHBondContact O-CA 3.48Å; E134-R137 WeakPolarHBondContact O-CB 3.05Å; E134-R137 PolarHBondContact O-N 2.72Å; E134-S138 PolarHBondContact O-N 3.16Å; E134-S138 PolarHBondContact O-OG 3.44Å |
| 135 | L | 88.6 | Confident | 88.6 | Confident | 19 Ų | 19 | 60.4 Ų | 60.4 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.4 | -39 | 174 | -178.6 | 62.2 | 0 | 0 | 0 | 111.5 | L127 G132 R137 S138 L139 V168 Y176 | L127-L135 HydrophobicContact CD2-CD1 4.09Å; G132-L135 PolarHBondContact O-N 2.77Å; L135-R137 VanDerWaalsContact C-N 3.32Å; L135-R137 PolarHBondContact O-N 3.28Å; L135-S138 PolarHBondContact O-N 3.07Å; L135-L139 HydrophobicContact CD1-CD1 4.12Å; L135-L139 HydrophobicContact CD1-CG 4.03Å; L135-L139 HydrophobicContact CG-CD1 3.95Å; L135-L139 HydrophobicContact CG-CG 4.27Å; L135-L139 WeakPolarHBondContact O-CB 3.49Å; L135-L139 WeakPolarHBondContact O-CG 3.38Å; L135-L139 PolarHBondContact O-N 3Å; L135-V168 HydrophobicContact CD1-CG1 4.34Å; L135-V168 HydrophobicContact CD2-CG1 4.17Å; L135-Y176 HydrophobicContact CD2-CD2 4.36Å; L135-Y176 HydrophobicContact CD2-CE2 4.32Å |
| 136 | R | 88.1 | Confident | 88.6 | Confident | 107 Ų | 107 | 53.6 Ų | 53.6 | 40% | 0.404 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.7 | -39.8 | 174.7 | -171.3 | 175.1 | -175.1 | 146.9 | 6.3 | 113.2 | G132 E134 F140 Y176 Y179 | G132-R136 PolarHBondContact O-N 3.22Å; G132-R136 VanDerWaalsContact O-N 3.12Å; E134-R136 PolarHBondContact O-N 2.91Å; R136-F140 VanDerWaalsContact O-CB 3.3Å; R136-F140 WeakPolarHBondContact O-CB 3.2Å; R136-F140 PolarHBondContact O-N 3.07Å; R136-F140 VanDerWaalsContact O-N 3.14Å; R136-Y176 HydrophobicContact CB-CD1 4.46Å; R136-Y176 HydrophobicContact CB-CE1 3.64Å; R136-Y176 HydrophobicContact CG-CD1 4.35Å; R136-Y176 HydrophobicContact CG-CE1 3.74Å; R136-Y179 HydrophobicContact CG-CE2 3.94Å; R136-Y179 PolarHBondContact NE-OH 3.32Å; R136-Y179 PolarHBondContact NH2-OH 3.31Å |
| 137 | R | 88.2 | Confident | 88.5 | Confident | 166 Ų | 166 | 54.9 Ų | 54.9 | 63% | 0.626 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -71.4 | -47.4 | 177.9 | -69 | 177.6 | -172.8 | 102.1 | -14 | 110.4 | P133 E134 L135 L139 F140 S141 | P133-R137 WeakPolarHBondContact O-CG 3.19Å; P133-R137 PolarHBondContact O-NH1 2.91Å; E134-R137 WeakPolarHBondContact O-CA 3.48Å; E134-R137 WeakPolarHBondContact O-CB 3.05Å; E134-R137 PolarHBondContact O-N 2.72Å; L135-R137 VanDerWaalsContact C-N 3.32Å; L135-R137 PolarHBondContact O-N 3.28Å; R137-L139 PolarHBondContact O-N 3.19Å; R137-F140 PolarHBondContact O-N 3.27Å; R137-F140 VanDerWaalsContact O-N 3.15Å; R137-S141 PolarHBondContact O-N 2.89Å; R137-S141 PolarHBondContact O-OG 2.9Å |
| 138 | S | 90 | Very high | 88.2 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.8 | -48.9 | 177.8 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | F29 E134 L135 F140 S141 L142 | F29-S138 WeakPolarHBondContact CE1-O 3.36Å; E134-S138 PolarHBondContact O-N 3.16Å; E134-S138 PolarHBondContact O-OG 3.44Å; L135-S138 PolarHBondContact O-N 3.07Å; S138-F140 VanDerWaalsContact C-N 3.35Å; S138-F140 PolarHBondContact O-N 3.01Å; S138-S141 PolarHBondContact O-N 3.49Å; S138-L142 WeakPolarHBondContact O-CB 3.28Å; S138-L142 PolarHBondContact O-N 2.93Å |
| 139 | L | 89.5 | Confident | 88 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.2 | -34.4 | 177 | -71.2 | 178.2 | 0 | 0 | 0 | 113.6 | L127 L135 R137 V168 Y176 I180 | L127-L139 HydrophobicContact CD2-CD2 3.64Å; L127-L139 HydrophobicContact CD2-CG 4.17Å; L135-L139 HydrophobicContact CD1-CD1 4.12Å; L135-L139 HydrophobicContact CD1-CG 4.03Å; L135-L139 HydrophobicContact CG-CD1 3.95Å; L135-L139 HydrophobicContact CG-CG 4.27Å; L135-L139 WeakPolarHBondContact O-CB 3.49Å; L135-L139 WeakPolarHBondContact O-CG 3.38Å; L135-L139 PolarHBondContact O-N 3Å; R137-L139 PolarHBondContact O-N 3.19Å; L139-V168 HydrophobicContact CD1-CG1 4.34Å; L139-Y176 HydrophobicContact CD1-CD2 4.47Å; L139-Y176 HydrophobicContact CD1-CG 4.06Å; L139-I180 HydrophobicContact CD1-CD1 4.16Å; L139-I180 HydrophobicContact CD1-CG1 4.12Å; L139-I180 HydrophobicContact CD2-CD1 4.21Å; L139-I180 HydrophobicContact CD2-CG1 3.6Å; L139-I180 HydrophobicContact CG-CG1 4.44Å |
| 140 | F | 87.9 | Confident | 87.9 | Confident | 123 Ų | 123 | 57.9 Ų | 57.9 | 54% | 0.539 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.4 | -47.3 | 176.1 | -178.9 | -92.4 | 0 | 0 | 0 | 111.7 | R136 R137 S138 L142 Y179 | R136-F140 VanDerWaalsContact O-CB 3.3Å; R136-F140 WeakPolarHBondContact O-CB 3.2Å; R136-F140 PolarHBondContact O-N 3.07Å; R136-F140 VanDerWaalsContact O-N 3.14Å; R137-F140 PolarHBondContact O-N 3.27Å; R137-F140 VanDerWaalsContact O-N 3.15Å; S138-F140 VanDerWaalsContact C-N 3.35Å; S138-F140 PolarHBondContact O-N 3.01Å; F140-L142 VanDerWaalsContact C-N 3.31Å; F140-L142 PolarHBondContact O-N 3.49Å; F140-Y179 HydrophobicContact CD2-CD1 4Å; F140-Y179 AromaticContact CD2-CE1 3.67Å; F140-Y179 HydrophobicContact CD2-CE1 3.67Å; F140-Y179 HydrophobicContact CE2-CE1 4.34Å |
| 141 | S | 89.1 | Confident | 87.8 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.5 | -23.2 | 179.7 | -64.2 | 0 | 0 | 0 | 0 | 113.6 | R137 S138 K143 Q144 I145 | R137-S141 PolarHBondContact O-N 2.89Å; R137-S141 PolarHBondContact O-OG 2.9Å; S138-S141 PolarHBondContact O-N 3.49Å; S141-K143 PolarHBondContact O-N 2.91Å; S141-Q144 WeakPolarHBondContact O-CA 3.28Å; S141-Q144 WeakPolarHBondContact O-CB 3.38Å; S141-Q144 PolarHBondContact O-N 2.9Å; S141-I145 PolarHBondContact O-N 3.2Å |
| 142 | L | 90.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.8 | -36.1 | -175.6 | -172 | 65.8 | 0 | 0 | 0 | 113.5 | I123 L127 S138 F140 I145 F146 L165 A183 | I123-L142 HydrophobicContact CG2-CD1 3.73Å; L127-L142 HydrophobicContact CD1-CD2 4.21Å; S138-L142 WeakPolarHBondContact O-CB 3.28Å; S138-L142 PolarHBondContact O-N 2.93Å; F140-L142 VanDerWaalsContact C-N 3.31Å; F140-L142 PolarHBondContact O-N 3.49Å; L142-I145 PolarHBondContact O-N 3.24Å; L142-F146 HydrophobicContact CD1-CD2 4.46Å; L142-F146 HydrophobicContact CD1-CE1 4.4Å; L142-F146 HydrophobicContact CD1-CE2 3.73Å; L142-F146 HydrophobicContact CD1-CZ 3.68Å; L142-F146 HydrophobicContact CD2-CE2 3.97Å; L142-F146 HydrophobicContact CD2-CZ 4.45Å; L142-F146 HydrophobicContact CG-CD2 4.15Å; L142-F146 HydrophobicContact CG-CE2 3.55Å; L142-F146 HydrophobicContact CG-CZ 4.04Å; L142-F146 WeakPolarHBondContact O-CD2 3.41Å; L142-F146 PolarHBondContact O-N 3.44Å; L142-L165 HydrophobicContact CD2-CD2 3.64Å; L142-A183 HydrophobicContact CB-CB 4.18Å; L142-A183 HydrophobicContact CD2-CB 3.83Å; L142-A183 HydrophobicContact CG-CB 3.96Å |
| 143 | K | 90.6 | Very high | 88.1 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 8% | 0.078 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 172.5 | 172.3 | 174.3 | 174.3 | -177 | 0 | 111.6 | S141 I145 F146 Q147 R182 Q186 D1128 S1130 D1131 | S141-K143 PolarHBondContact O-N 2.91Å; K143-I145 VanDerWaalsContact C-N 3.35Å; K143-F146 PolarHBondContact O-N 3.41Å; K143-Q147 WeakPolarHBondContact O-CB 3.26Å; K143-Q147 PolarHBondContact O-N 2.79Å; K143-Q147 VanDerWaalsContact O-N 3.13Å; K143-R182 HydrophobicContact CD-CB 4.2Å; K143-Q186 HydrophobicContact CG-CB 4.14Å; K143-Q186 HydrophobicContact CG-CG 4.42Å; K143-D1128 IonicContact NZ-OD1 3.68Å; K143-D1128 PolarHBondContact NZ-OD1 3.41Å; K143-D1128 IonicContact NZ-OD2 2.64Å; K143-D1128 PolarHBondContact NZ-OD2 2.87Å; K143-S1130 WeakPolarHBondContact CE-OG 3.35Å; K143-S1130 PolarHBondContact NZ-OG 3.15Å; K143-S1130 VanDerWaalsContact NZ-OG 3.15Å; K143-D1131 VanDerWaalsContact NZ-CG 3.3Å; K143-D1131 IonicContact NZ-OD1 2.95Å; K143-D1131 PolarHBondContact NZ-OD1 3.12Å; K143-D1131 IonicContact NZ-OD2 3.26Å |
| 144 | Q | 89.4 | Confident | 88.2 | Confident | 70 Ų | 70 | 50.9 Ų | 50.9 | 33% | 0.327 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.8 | -40.5 | -178.8 | -177.5 | 176.8 | -14.7 | 0 | 0 | 110.9 | S141 F146 Q147 E148 | S141-Q144 WeakPolarHBondContact O-CA 3.28Å; S141-Q144 WeakPolarHBondContact O-CB 3.38Å; S141-Q144 PolarHBondContact O-N 2.9Å; Q144-F146 PolarHBondContact O-N 3.33Å; Q144-Q147 CarbonylContact O-C 3.41Å; Q144-Q147 WeakPolarHBondContact O-CA 3.4Å; Q144-Q147 WeakPolarHBondContact O-CB 3.32Å; Q144-Q147 PolarHBondContact O-N 2.72Å; Q144-E148 HydrophobicContact CG-CG 4.19Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.15Å; Q144-E148 PolarHBondContact NE2-OE1 3.05Å; Q144-E148 WeakPolarHBondContact O-CG 3.47Å; Q144-E148 PolarHBondContact O-N 2.94Å |
| 145 | I | 89.1 | Confident | 88.3 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 5% | 0.046 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.5 | -48.8 | 176.6 | -66 | 168.5 | 0 | 0 | 0 | 111.4 | P28 F29 I123 S141 L142 K143 Q147 E148 D149 L152 | P28-I145 HydrophobicContact CB-CD1 4.44Å; P28-I145 VanDerWaalsContact O-CD1 3.25Å; P28-I145 WeakPolarHBondContact O-CD1 3.49Å; P28-I145 WeakPolarHBondContact O-CG1 3.49Å; F29-I145 HydrophobicContact CD1-CD1 3.53Å; F29-I145 HydrophobicContact CE1-CD1 3.5Å; F29-I145 VanDerWaalsContact CE1-CD1 3.5Å; F29-I145 HydrophobicContact CG-CD1 4.17Å; F29-I145 HydrophobicContact CZ-CD1 4.15Å; I123-I145 HydrophobicContact CD1-CG2 4.04Å; S141-I145 PolarHBondContact O-N 3.2Å; L142-I145 PolarHBondContact O-N 3.24Å; K143-I145 VanDerWaalsContact C-N 3.35Å; I145-Q147 PolarHBondContact O-N 3.37Å; I145-E148 PolarHBondContact O-N 3.15Å; I145-D149 PolarHBondContact O-N 3.29Å; I145-L152 HydrophobicContact CG2-CD1 3.49Å; I145-L152 VanDerWaalsContact CG2-CD1 3.49Å |
| 146 | F | 89.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.9 | -13.5 | 175.7 | -60.8 | -42.5 | 0 | 0 | 0 | 114.3 | L142 K143 Q144 L152 V153 F156 A183 Q186 L187 F190 | L142-F146 HydrophobicContact CD1-CD2 4.46Å; L142-F146 HydrophobicContact CD1-CE1 4.4Å; L142-F146 HydrophobicContact CD1-CE2 3.73Å; L142-F146 HydrophobicContact CD1-CZ 3.68Å; L142-F146 HydrophobicContact CD2-CE2 3.97Å; L142-F146 HydrophobicContact CD2-CZ 4.45Å; L142-F146 HydrophobicContact CG-CD2 4.15Å; L142-F146 HydrophobicContact CG-CE2 3.55Å; L142-F146 HydrophobicContact CG-CZ 4.04Å; L142-F146 WeakPolarHBondContact O-CD2 3.41Å; L142-F146 PolarHBondContact O-N 3.44Å; K143-F146 PolarHBondContact O-N 3.41Å; Q144-F146 PolarHBondContact O-N 3.33Å; F146-L152 HydrophobicContact CD1-CB 4.5Å; F146-V153 HydrophobicContact CB-CG2 4.29Å; F146-V153 HydrophobicContact CD1-CG2 4.13Å; F146-V153 HydrophobicContact CG-CG2 4.44Å; F146-F156 HydrophobicContact CE1-CB 4.01Å; F146-F156 HydrophobicContact CE1-CD1 4.19Å; F146-F156 HydrophobicContact CE1-CD2 4.05Å; F146-F156 AromaticContact CE1-CG 3.81Å; F146-F156 HydrophobicContact CE1-CG 3.81Å; F146-F156 HydrophobicContact CE2-CD1 4.47Å; F146-F156 HydrophobicContact CE2-CE1 4.38Å; F146-F156 HydrophobicContact CZ-CB 4.29Å; F146-F156 AromaticContact CZ-CD1 3.62Å; F146-F156 HydrophobicContact CZ-CD1 3.62Å; F146-F156 AromaticContact CZ-CD2 3.74Å; F146-F156 HydrophobicContact CZ-CD2 3.74Å; F146-F156 AromaticContact CZ-CE1 3.79Å; F146-F156 HydrophobicContact CZ-CE1 3.79Å; F146-F156 AromaticContact CZ-CE2 3.91Å; F146-F156 HydrophobicContact CZ-CE2 3.91Å; F146-F156 AromaticContact CZ-CG 3.6Å; F146-F156 HydrophobicContact CZ-CG 3.6Å; F146-F156 AromaticContact CZ-CZ 3.93Å; F146-F156 HydrophobicContact CZ-CZ 3.93Å; F146-A183 HydrophobicContact CD2-CB 4.5Å; F146-A183 HydrophobicContact CE2-CB 4.45Å; F146-Q186 HydrophobicContact CB-CG 3.8Å; F146-L187 HydrophobicContact CD1-CD2 4.01Å; F146-L187 HydrophobicContact CD2-CD1 4.33Å; F146-L187 HydrophobicContact CD2-CD2 3.75Å; F146-L187 HydrophobicContact CD2-CG 3.77Å; F146-L187 HydrophobicContact CE1-CD2 4Å; F146-L187 HydrophobicContact CE2-CD1 3.8Å; F146-L187 HydrophobicContact CE2-CD2 3.72Å; F146-L187 HydrophobicContact CE2-CG 3.74Å; F146-L187 HydrophobicContact CG-CD2 3.9Å; F146-L187 HydrophobicContact CG-CG 4.37Å; F146-L187 HydrophobicContact CZ-CD1 4.27Å; F146-L187 HydrophobicContact CZ-CD2 3.86Å; F146-L187 HydrophobicContact CZ-CG 4.33Å; F146-F190 VanDerWaalsContact O-CE2 3.28Å; F146-F190 WeakPolarHBondContact O-CE2 3.28Å; F146-F190 VanDerWaalsContact O-CZ 3.32Å; F146-F190 WeakPolarHBondContact O-CZ 3.42Å |
| 147 | Q | 87.6 | Confident | 88.7 | Confident | 75 Ų | 75 | 44.7 Ų | 44.7 | 35% | 0.35 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -92 | -32.7 | 177.5 | -170.8 | 173.2 | 16.4 | 0 | 0 | 112.3 | K143 Q144 I145 Q186 T1129 S1130 | K143-Q147 WeakPolarHBondContact O-CB 3.26Å; K143-Q147 PolarHBondContact O-N 2.79Å; K143-Q147 VanDerWaalsContact O-N 3.13Å; Q144-Q147 CarbonylContact O-C 3.41Å; Q144-Q147 WeakPolarHBondContact O-CA 3.4Å; Q144-Q147 WeakPolarHBondContact O-CB 3.32Å; Q144-Q147 PolarHBondContact O-N 2.72Å; I145-Q147 PolarHBondContact O-N 3.37Å; Q147-Q186 HydrophobicContact CB-CG 4.34Å; Q147-T1129 PolarHBondContact NE2-OG1 3.31Å; Q147-S1130 PolarHBondContact NE2-OG 2.8Å |
| 148 | E | 84.6 | Confident | 88.7 | Confident | 142 Ų | 142 | 44 Ų | 44 | 66% | 0.664 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -80.7 | -35.2 | 176.1 | -71 | 177 | 174.7 | 0 | 0 | 112.3 | Q144 I145 | Q144-E148 HydrophobicContact CG-CG 4.19Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.15Å; Q144-E148 PolarHBondContact NE2-OE1 3.05Å; Q144-E148 WeakPolarHBondContact O-CG 3.47Å; Q144-E148 PolarHBondContact O-N 2.94Å; I145-E148 PolarHBondContact O-N 3.15Å |
| 149 | D | 84.3 | Confident | 88.7 | Confident | 14 Ų | 14 | 45.3 Ų | 45.3 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | trans | -133.1 | 77.6 | -169.8 | -155.4 | -17.6 | 0 | 0 | 0 | 111.3 | R113 R119 I145 D151 L152 | R113-D149 IonicContact CZ-OD2 3.2Å; R113-D149 IonicContact NH1-OD2 3.09Å; R113-D149 PolarHBondContact NH1-OD2 2.82Å; R113-D149 IonicContact NH2-OD2 3.44Å; R113-D149 PolarHBondContact NH2-OD2 2.8Å; R119-D149 IonicContact CZ-OD2 2.61Å; R119-D149 VanDerWaalsContact CZ-OD2 3.29Å; R119-D149 IonicContact NH1-OD2 3.05Å; R119-D149 PolarHBondContact NH1-OD2 3.37Å; R119-D149 IonicContact NH2-OD2 3.33Å; R119-D149 PolarHBondContact NH2-OD2 3.46Å; I145-D149 PolarHBondContact O-N 3.29Å; D149-D151 PolarHBondContact O-N 2.85Å; D149-D151 VanDerWaalsContact O-N 3.09Å; D149-L152 HydrophobicContact CB-CD1 3.96Å; D149-L152 HydrophobicContact CB-CG 4.32Å; D149-L152 WeakPolarHBondContact O-CB 3.26Å; D149-L152 PolarHBondContact O-N 2.91Å | ||
| 150 | K | 85.9 | Confident | 88.7 | Confident | 110 Ų | 110 | 51.3 Ų | 51.3 | 48% | 0.478 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.9 | -174.8 | 60.3 | 161.7 | -179.4 | 59.5 | 0 | 114.4 | L152 V153 F190 | K150-L152 VanDerWaalsContact C-N 3.27Å; K150-L152 PolarHBondContact O-N 3.11Å; K150-V153 VanDerWaalsContact O-CB 3.27Å; K150-V153 WeakPolarHBondContact O-CB 3.22Å; K150-V153 VanDerWaalsContact O-CG2 3.28Å; K150-V153 WeakPolarHBondContact O-CG2 3.43Å; K150-V153 PolarHBondContact O-N 3.36Å; K150-F190 HydrophobicContact CB-CD1 4.21Å; K150-F190 HydrophobicContact CB-CE1 3.51Å; K150-F190 HydrophobicContact CB-CZ 3.86Å |
| 151 | D | 86.1 | Confident | 88.9 | Confident | 44 Ų | 44 | 45.4 Ų | 45.4 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -9.1 | -172.7 | -58.9 | -52 | 0 | 0 | 0 | 112.1 | Y81 L116 D149 V153 P154 | Y81-D151 HydrophobicContact CD2-CB 4.07Å; Y81-D151 HydrophobicContact CE2-CB 4.19Å; L116-D151 HydrophobicContact CD1-CB 4.11Å; L116-D151 HydrophobicContact CD2-CB 4.48Å; D149-D151 PolarHBondContact O-N 2.85Å; D149-D151 VanDerWaalsContact O-N 3.09Å; D151-V153 PolarHBondContact O-N 2.95Å; D151-P154 WeakPolarHBondContact O-CD 3.23Å |
| 152 | L | 88.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.3 | -23.2 | 164.1 | -73.3 | 172.5 | 0 | 0 | 0 | 113.1 | L116 R119 V120 I145 F146 D149 K150 E155 F156 | L116-L152 HydrophobicContact CB-CD2 4.43Å; L116-L152 HydrophobicContact CD2-CD2 3.57Å; L116-L152 HydrophobicContact CD2-CG 3.82Å; R119-L152 HydrophobicContact CB-CD2 4.08Å; V120-L152 HydrophobicContact CG2-CD2 3.81Å; I145-L152 HydrophobicContact CG2-CD1 3.49Å; I145-L152 VanDerWaalsContact CG2-CD1 3.49Å; F146-L152 HydrophobicContact CD1-CB 4.5Å; D149-L152 HydrophobicContact CB-CD1 3.96Å; D149-L152 HydrophobicContact CB-CG 4.32Å; D149-L152 WeakPolarHBondContact O-CB 3.26Å; D149-L152 PolarHBondContact O-N 2.91Å; K150-L152 VanDerWaalsContact C-N 3.27Å; K150-L152 PolarHBondContact O-N 3.11Å; L152-E155 PolarHBondContact O-N 3.18Å; L152-F156 VanDerWaalsContact O-CB 3.25Å; L152-F156 WeakPolarHBondContact O-CB 3.07Å; L152-F156 PolarHBondContact O-N 3.29Å |
| 153 | V | 90.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -51.3 | -171.8 | 174.9 | 0 | 0 | 0 | 0 | 113.5 | F146 K150 D151 E155 F156 V157 L187 F190 | F146-V153 HydrophobicContact CB-CG2 4.29Å; F146-V153 HydrophobicContact CD1-CG2 4.13Å; F146-V153 HydrophobicContact CG-CG2 4.44Å; K150-V153 VanDerWaalsContact O-CB 3.27Å; K150-V153 WeakPolarHBondContact O-CB 3.22Å; K150-V153 VanDerWaalsContact O-CG2 3.28Å; K150-V153 WeakPolarHBondContact O-CG2 3.43Å; K150-V153 PolarHBondContact O-N 3.36Å; D151-V153 PolarHBondContact O-N 2.95Å; V153-E155 PolarHBondContact O-N 3.22Å; V153-F156 PolarHBondContact O-N 2.63Å; V153-V157 WeakPolarHBondContact O-CG2 3.23Å; V153-V157 PolarHBondContact O-N 2.98Å; V153-V157 VanDerWaalsContact O-N 3.13Å; V153-L187 HydrophobicContact CB-CD2 4.2Å; V153-L187 HydrophobicContact CG1-CD2 3.69Å; V153-L187 HydrophobicContact CG2-CD2 3.93Å; V153-F190 HydrophobicContact CB-CD2 4.38Å; V153-F190 HydrophobicContact CG1-CB 4.07Å; V153-F190 HydrophobicContact CG1-CD2 4.18Å; V153-F190 HydrophobicContact CG1-CG 4.4Å; V153-F190 HydrophobicContact CG2-CD2 3.69Å; V153-F190 HydrophobicContact CG2-CE2 3.85Å; V153-F190 HydrophobicContact CG2-CG 4.32Å |
| 154 | P | 87.8 | Confident | 89.3 | Confident | 37 Ų | 37 | 45.2 Ų | 45.2 | 24% | 0.24 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 174.7 | 22 | -33.3 | 0 | 0 | 0 | 112.4 | D151 F156 V157 H158 D192 | D151-P154 WeakPolarHBondContact O-CD 3.23Å; P154-F156 PolarHBondContact O-N 3.22Å; P154-V157 WeakPolarHBondContact O-CB 3.42Å; P154-V157 PolarHBondContact O-N 2.76Å; P154-H158 PolarHBondContact O-N 2.64Å; P154-H158 PolarHBondContact O-ND1 3.37Å; P154-D192 HydrophobicContact CB-CB 4.04Å |
| 155 | E | 88.4 | Confident | 89.5 | Confident | 72 Ų | 72 | 42.1 Ų | 42.1 | 34% | 0.336 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.9 | -38.1 | 180 | -73.4 | -73.1 | -173.6 | 0 | 0 | 112.6 | L116 V120 L152 V153 V157 H158 S159 | L116-E155 HydrophobicContact CB-CG 3.96Å; V120-E155 HydrophobicContact CG2-CB 3.85Å; L152-E155 PolarHBondContact O-N 3.18Å; V153-E155 PolarHBondContact O-N 3.22Å; E155-V157 VanDerWaalsContact C-N 3.33Å; E155-V157 PolarHBondContact O-N 3.19Å; E155-H158 PolarHBondContact O-N 2.65Å; E155-S159 VanDerWaalsContact O-CB 3.31Å; E155-S159 WeakPolarHBondContact O-CB 3.44Å; E155-S159 PolarHBondContact O-N 3.28Å; E155-S159 PolarHBondContact O-OG 3.09Å |
| 156 | F | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -35.7 | 174.5 | -174.2 | -95 | 0 | 0 | 0 | 112.4 | V120 I123 L124 F146 L152 V153 P154 G161 L165 L187 | V120-F156 HydrophobicContact CG1-CB 4.4Å; V120-F156 HydrophobicContact CG1-CD2 4.26Å; V120-F156 HydrophobicContact CG2-CB 4.19Å; I123-F156 HydrophobicContact CG2-CD2 4.46Å; I123-F156 HydrophobicContact CG2-CE2 3.93Å; L124-F156 HydrophobicContact CD2-CD2 4.32Å; L124-F156 HydrophobicContact CD2-CE2 3.65Å; L124-F156 HydrophobicContact CD2-CZ 4.23Å; L124-F156 HydrophobicContact CG-CE2 4.45Å; F146-F156 HydrophobicContact CE1-CB 4.01Å; F146-F156 HydrophobicContact CE1-CD1 4.19Å; F146-F156 HydrophobicContact CE1-CD2 4.05Å; F146-F156 AromaticContact CE1-CG 3.81Å; F146-F156 HydrophobicContact CE1-CG 3.81Å; F146-F156 HydrophobicContact CE2-CD1 4.47Å; F146-F156 HydrophobicContact CE2-CE1 4.38Å; F146-F156 HydrophobicContact CZ-CB 4.29Å; F146-F156 AromaticContact CZ-CD1 3.62Å; F146-F156 HydrophobicContact CZ-CD1 3.62Å; F146-F156 AromaticContact CZ-CD2 3.74Å; F146-F156 HydrophobicContact CZ-CD2 3.74Å; F146-F156 AromaticContact CZ-CE1 3.79Å; F146-F156 HydrophobicContact CZ-CE1 3.79Å; F146-F156 AromaticContact CZ-CE2 3.91Å; F146-F156 HydrophobicContact CZ-CE2 3.91Å; F146-F156 AromaticContact CZ-CG 3.6Å; F146-F156 HydrophobicContact CZ-CG 3.6Å; F146-F156 AromaticContact CZ-CZ 3.93Å; F146-F156 HydrophobicContact CZ-CZ 3.93Å; L152-F156 VanDerWaalsContact O-CB 3.25Å; L152-F156 WeakPolarHBondContact O-CB 3.07Å; L152-F156 PolarHBondContact O-N 3.29Å; V153-F156 PolarHBondContact O-N 2.63Å; P154-F156 PolarHBondContact O-N 3.22Å; F156-G161 WeakPolarHBondContact CZ-O 3.46Å; F156-G161 WeakPolarHBondContact O-CA 3.23Å; F156-G161 PolarHBondContact O-N 3.04Å; F156-L165 HydrophobicContact CE1-CD1 3.83Å; F156-L165 HydrophobicContact CE1-CG 4.22Å; F156-L165 HydrophobicContact CZ-CD1 4.03Å; F156-L165 HydrophobicContact CZ-CD2 4.42Å; F156-L165 HydrophobicContact CZ-CG 3.99Å; F156-L187 HydrophobicContact CD1-CD1 4.01Å; F156-L187 HydrophobicContact CD1-CD2 4.27Å; F156-L187 HydrophobicContact CE1-CD1 3.91Å |
| 157 | V | 91.8 | Very high | 89.8 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.5 | -46 | 173.3 | 166.7 | 0 | 0 | 0 | 0 | 111.3 | V153 P154 E155 S159 L162 G196 | V153-V157 WeakPolarHBondContact O-CG2 3.23Å; V153-V157 PolarHBondContact O-N 2.98Å; V153-V157 VanDerWaalsContact O-N 3.13Å; P154-V157 WeakPolarHBondContact O-CB 3.42Å; P154-V157 PolarHBondContact O-N 2.76Å; E155-V157 VanDerWaalsContact C-N 3.33Å; E155-V157 PolarHBondContact O-N 3.19Å; V157-S159 VanDerWaalsContact C-N 3.33Å; V157-S159 PolarHBondContact O-N 3.11Å; V157-L162 HydrophobicContact CG2-CD1 4.42Å; V157-G196 VanDerWaalsContact CG1-CA 3.46Å |
| 158 | H | 88.3 | Confident | 90 | Very high | 151 Ų | 151 | 47.7 Ų | 47.7 | 70% | 0.699 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -67.1 | -32.6 | -179.5 | -72.3 | 88.8 | 0 | 0 | 0 | 112.8 | P154 E155 E160 | P154-H158 PolarHBondContact O-N 2.64Å; P154-H158 PolarHBondContact O-ND1 3.37Å; E155-H158 PolarHBondContact O-N 2.65Å; H158-E160 PolarHBondContact O-N 3.26Å; H158-E160 VanDerWaalsContact O-N 3.14Å |
| 159 | S | 88.8 | Confident | 90.2 | Very high | 32 Ų | 32 | 40.9 Ų | 40.9 | 22% | 0.224 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 31.8 | -178.6 | -53 | 0 | 0 | 0 | 0 | 114.2 | V120 L124 E155 V157 G161 | V120-S159 WeakPolarHBondContact CG1-OG 3.17Å; L124-S159 WeakPolarHBondContact CD1-O 3.49Å; E155-S159 VanDerWaalsContact O-CB 3.31Å; E155-S159 WeakPolarHBondContact O-CB 3.44Å; E155-S159 PolarHBondContact O-N 3.28Å; E155-S159 PolarHBondContact O-OG 3.09Å; V157-S159 VanDerWaalsContact C-N 3.33Å; V157-S159 PolarHBondContact O-N 3.11Å; S159-G161 PolarHBondContact O-N 3.38Å; S159-G161 VanDerWaalsContact O-N 3.09Å |
| 160 | E | 89.9 | Confident | 90.4 | Very high | 127 Ų | 127 | 43.6 Ų | 43.6 | 59% | 0.593 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 23.2 | -174.8 | -58 | -163.5 | 161.5 | 0 | 0 | 115.5 | H158 L162 S163 C164 | H158-E160 PolarHBondContact O-N 3.26Å; H158-E160 VanDerWaalsContact O-N 3.14Å; E160-L162 VanDerWaalsContact C-N 3.29Å; E160-L162 PolarHBondContact O-N 3.07Å; E160-S163 WeakPolarHBondContact O-CA 3.47Å; E160-S163 WeakPolarHBondContact O-CB 3.45Å; E160-S163 PolarHBondContact O-N 3.28Å; E160-S163 PolarHBondContact O-OG 3.34Å; E160-C164 PolarHBondContact O-N 3.01Å; E160-C164 VanDerWaalsContact O-N 3.09Å |
| 161 | G | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64 | -30.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F156 S159 C164 L165 | F156-G161 WeakPolarHBondContact CZ-O 3.46Å; F156-G161 WeakPolarHBondContact O-CA 3.23Å; F156-G161 PolarHBondContact O-N 3.04Å; S159-G161 PolarHBondContact O-N 3.38Å; S159-G161 VanDerWaalsContact O-N 3.09Å; G161-C164 WeakPolarHBondContact O-CB 3.13Å; G161-C164 PolarHBondContact O-N 3.24Å; G161-L165 WeakPolarHBondContact O-CG 3.43Å; G161-L165 PolarHBondContact O-N 2.94Å |
| 162 | L | 93.4 | Very high | 90.2 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 171.2 | -62.6 | 178.7 | 0 | 0 | 0 | 111.5 | V157 E160 C164 L165 I166 L184 L187 V197 H200 | V157-L162 HydrophobicContact CG2-CD1 4.42Å; E160-L162 VanDerWaalsContact C-N 3.29Å; E160-L162 PolarHBondContact O-N 3.07Å; L162-C164 VanDerWaalsContact C-N 3.33Å; L162-C164 PolarHBondContact O-N 3.2Å; L162-L165 PolarHBondContact O-N 3.49Å; L162-I166 VanDerWaalsContact O-CD1 3.31Å; L162-I166 WeakPolarHBondContact O-CD1 3.46Å; L162-I166 WeakPolarHBondContact O-CG1 3.46Å; L162-I166 PolarHBondContact O-N 2.94Å; L162-L184 HydrophobicContact CD2-CD1 3.89Å; L162-L187 HydrophobicContact CD2-CD1 4.07Å; L162-V197 HydrophobicContact CD1-CG2 4.14Å; L162-V197 HydrophobicContact CD2-CG2 4.28Å; L162-H200 HydrophobicContact CD1-CB 3.85Å |
| 163 | S | 93.2 | Very high | 90.2 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 175.1 | -43.2 | 0 | 0 | 0 | 0 | 111.9 | E160 R167 H200 | E160-S163 WeakPolarHBondContact O-CA 3.47Å; E160-S163 WeakPolarHBondContact O-CB 3.45Å; E160-S163 PolarHBondContact O-N 3.28Å; E160-S163 PolarHBondContact O-OG 3.34Å; S163-R167 VanDerWaalsContact O-CB 3.32Å; S163-R167 WeakPolarHBondContact O-CB 3.37Å; S163-R167 PolarHBondContact O-N 2.71Å; S163-H200 PolarHBondContact OG-NE2 3.24Å |
| 164 | C | 93.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -50.7 | 173.1 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | L124 Y128 E160 G161 L162 I166 R167 V168 | L124-C164 HydrophobicContact CD2-CB 3.7Å; Y128-C164 HydrophobicContact CE1-CB 4.31Å; Y128-C164 HydrophobicContact CE2-CB 4.04Å; Y128-C164 WeakPolarHBondContact OH-CA 3.45Å; E160-C164 PolarHBondContact O-N 3.01Å; E160-C164 VanDerWaalsContact O-N 3.09Å; G161-C164 WeakPolarHBondContact O-CB 3.13Å; G161-C164 PolarHBondContact O-N 3.24Å; L162-C164 VanDerWaalsContact C-N 3.33Å; L162-C164 PolarHBondContact O-N 3.2Å; C164-I166 VanDerWaalsContact C-N 3.33Å; C164-I166 PolarHBondContact O-N 3.49Å; C164-R167 PolarHBondContact O-N 3.3Å; C164-V168 WeakPolarHBondContact O-CG2 3.48Å; C164-V168 PolarHBondContact O-N 3.37Å |
| 165 | L | 93.7 | Very high | 90.2 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 179.5 | -69.3 | -178.5 | 0 | 0 | 0 | 113 | L127 L142 F156 G161 L162 G169 I180 L187 | L127-L165 HydrophobicContact CD1-CD2 4.26Å; L142-L165 HydrophobicContact CD2-CD2 3.64Å; F156-L165 HydrophobicContact CE1-CD1 3.83Å; F156-L165 HydrophobicContact CE1-CG 4.22Å; F156-L165 HydrophobicContact CZ-CD1 4.03Å; F156-L165 HydrophobicContact CZ-CD2 4.42Å; F156-L165 HydrophobicContact CZ-CG 3.99Å; G161-L165 WeakPolarHBondContact O-CG 3.43Å; G161-L165 PolarHBondContact O-N 2.94Å; L162-L165 PolarHBondContact O-N 3.49Å; L165-G169 WeakPolarHBondContact O-CA 3.26Å; L165-G169 PolarHBondContact O-N 2.78Å; L165-I180 HydrophobicContact CB-CG2 3.91Å; L165-I180 HydrophobicContact CD2-CG1 4.49Å; L165-I180 HydrophobicContact CD2-CG2 4.22Å; L165-I180 HydrophobicContact CG-CG2 4.45Å; L165-L187 HydrophobicContact CD1-CD1 4.1Å |
| 166 | I | 93.1 | Very high | 90.3 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.4 | -45.3 | 176.5 | -63.7 | 153.7 | 0 | 0 | 0 | 110.8 | L162 C164 V168 G169 A170 H200 D202 W206 | L162-I166 VanDerWaalsContact O-CD1 3.31Å; L162-I166 WeakPolarHBondContact O-CD1 3.46Å; L162-I166 WeakPolarHBondContact O-CG1 3.46Å; L162-I166 PolarHBondContact O-N 2.94Å; C164-I166 VanDerWaalsContact C-N 3.33Å; C164-I166 PolarHBondContact O-N 3.49Å; I166-V168 PolarHBondContact O-N 2.75Å; I166-G169 PolarHBondContact O-N 3.01Å; I166-A170 VanDerWaalsContact O-CB 3.28Å; I166-A170 WeakPolarHBondContact O-CB 3.4Å; I166-A170 PolarHBondContact O-N 2.74Å; I166-H200 VanDerWaalsContact CD1-CE1 3.45Å; I166-H200 WeakPolarHBondContact CD1-CE1 3.45Å; I166-D202 HydrophobicContact CD1-CB 4.24Å; I166-W206 HydrophobicContact CG1-CB 4.27Å; I166-W206 HydrophobicContact CG1-CD2 4.27Å; I166-W206 HydrophobicContact CG1-CE3 4.21Å; I166-W206 HydrophobicContact CG1-CG 4.32Å; I166-W206 HydrophobicContact CG2-CB 4.02Å; I166-W206 HydrophobicContact CG2-CD2 4.44Å; I166-W206 HydrophobicContact CG2-CG 3.91Å |
| 167 | R | 91.3 | Very high | 90.2 | Very high | 155 Ų | 155 | 50 Ų | 50 | 59% | 0.585 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.3 | -42.2 | -178.7 | -168.4 | 179.9 | -60.7 | 163 | 2.8 | 111.9 | S163 C164 | S163-R167 VanDerWaalsContact O-CB 3.32Å; S163-R167 WeakPolarHBondContact O-CB 3.37Å; S163-R167 PolarHBondContact O-N 2.71Å; C164-R167 PolarHBondContact O-N 3.3Å |
| 168 | V | 91.1 | Very high | 90.2 | Very high | 20 Ų | 20 | 49 Ų | 49 | 12% | 0.121 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -50.2 | 172.1 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | L135 L139 C164 I166 A170 A171 A172 I180 | L135-V168 HydrophobicContact CD1-CG1 4.34Å; L135-V168 HydrophobicContact CD2-CG1 4.17Å; L139-V168 HydrophobicContact CD1-CG1 4.34Å; C164-V168 WeakPolarHBondContact O-CG2 3.48Å; C164-V168 PolarHBondContact O-N 3.37Å; I166-V168 PolarHBondContact O-N 2.75Å; V168-A170 VanDerWaalsContact C-N 3.35Å; V168-A170 PolarHBondContact O-N 3.34Å; V168-A171 PolarHBondContact O-N 2.72Å; V168-A172 WeakPolarHBondContact O-CB 3.47Å; V168-A172 PolarHBondContact O-N 2.77Å; V168-I180 HydrophobicContact CB-CD1 4.48Å; V168-I180 HydrophobicContact CG1-CD1 4.13Å |
| 169 | G | 89.4 | Confident | 90.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -28.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L165 I166 Q177 I180 | L165-G169 WeakPolarHBondContact O-CA 3.26Å; L165-G169 PolarHBondContact O-N 2.78Å; I166-G169 PolarHBondContact O-N 3.01Å; G169-Q177 WeakPolarHBondContact O-CG 3.38Å; G169-Q177 PolarHBondContact O-NE2 3.22Å; G169-I180 VanDerWaalsContact CA-CD1 3.46Å |
| 170 | A | 88.1 | Confident | 90.7 | Very high | 71 Ų | 71 | 42.1 Ų | 42.1 | 59% | 0.587 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -71.6 | -30.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I166 V168 | I166-A170 VanDerWaalsContact O-CB 3.28Å; I166-A170 WeakPolarHBondContact O-CB 3.4Å; I166-A170 PolarHBondContact O-N 2.74Å; V168-A170 VanDerWaalsContact C-N 3.35Å; V168-A170 PolarHBondContact O-N 3.34Å |
| 171 | A | 81.9 | Confident | 90.9 | Very high | 96 Ų | 96 | 36.1 Ų | 36.1 | 79% | 0.793 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -94.6 | -2.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V168 | V168-A171 PolarHBondContact O-N 2.72Å |
| 172 | A | 86.5 | Confident | 90.9 | Very high | 22 Ų | 22 | 40.3 Ų | 40.3 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -100.5 | 165.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V168 Y176 Q177 | V168-A172 WeakPolarHBondContact O-CB 3.47Å; V168-A172 PolarHBondContact O-N 2.77Å; A172-Y176 HydrophobicContact CB-CD2 4.03Å; A172-Y176 HydrophobicContact CB-CG 4.42Å; A172-Q177 PolarHBondContact O-NE2 3.32Å |
| 173 | D | 88.8 | Confident | 90.8 | Very high | 61 Ų | 61 | 40 Ų | 40 | 33% | 0.326 | 22% | 0.216 | S | C | . | . | trans | -78.4 | 172.1 | 178.2 | 93.5 | -41.4 | 0 | 0 | 0 | 112.8 | N175 Y176 Q177 | D173-N175 PolarHBondContact O-N 3.5Å; D173-N175 WeakPolarHBondContact OD1-CB 3.19Å; D173-N175 PolarHBondContact OD1-N 3.12Å; D173-N175 WeakPolarHBondContact OD2-CB 3.19Å; D173-N175 PolarHBondContact OD2-N 3.47Å; D173-N175 PolarHBondContact OD2-ND2 3.48Å; D173-Y176 PolarHBondContact O-N 2.81Å; D173-Y176 WeakPolarHBondContact OD1-CB 3.41Å; D173-Y176 WeakPolarHBondContact OD1-CD1 3.47Å; D173-Y176 VanDerWaalsContact OD1-CG 3.26Å; D173-Y176 PolarHBondContact OD1-N 3.44Å; D173-Q177 WeakPolarHBondContact O-CB 3.48Å; D173-Q177 VanDerWaalsContact O-CG 3.29Å; D173-Q177 WeakPolarHBondContact O-CG 3.26Å; D173-Q177 PolarHBondContact O-N 3.42Å | ||
| 174 | H | 88 | Confident | 90.9 | Very high | 96 Ų | 96 | 38.9 Ų | 38.9 | 44% | 0.444 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.2 | -23.4 | -179.6 | 60.1 | -95 | 0 | 0 | 0 | 113.9 | S178 V218 | H174-S178 WeakPolarHBondContact O-CB 3.44Å; H174-S178 PolarHBondContact O-N 3.01Å; H174-S178 VanDerWaalsContact O-N 3.12Å; H174-V218 HydrophobicContact CB-CG2 4.14Å; H174-V218 WeakPolarHBondContact O-CG2 3.44Å |
| 175 | N | 89.4 | Confident | 90.8 | Very high | 53 Ų | 53 | 39 Ų | 39 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -74.4 | -48.1 | 175.8 | -65.1 | -80.1 | 0 | 0 | 0 | 110.6 | D173 S178 Y179 | D173-N175 PolarHBondContact O-N 3.5Å; D173-N175 WeakPolarHBondContact OD1-CB 3.19Å; D173-N175 PolarHBondContact OD1-N 3.12Å; D173-N175 WeakPolarHBondContact OD2-CB 3.19Å; D173-N175 PolarHBondContact OD2-N 3.47Å; D173-N175 PolarHBondContact OD2-ND2 3.48Å; N175-S178 WeakPolarHBondContact O-CB 3.42Å; N175-S178 PolarHBondContact O-N 3.16Å; N175-S178 VanDerWaalsContact O-N 3.16Å; N175-Y179 HydrophobicContact CB-CE2 4.39Å; N175-Y179 WeakPolarHBondContact O-CD2 3.49Å; N175-Y179 PolarHBondContact O-N 2.79Å |
| 176 | Y | 90.8 | Very high | 90.7 | Very high | 45 Ų | 45 | 39.1 Ų | 39.1 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 177.8 | -65 | -1.2 | 0 | 0 | 0 | 111.3 | G132 L135 R136 L139 A172 D173 S178 Y179 I180 | G132-Y176 PolarHBondContact O-OH 3.4Å; L135-Y176 HydrophobicContact CD2-CD2 4.36Å; L135-Y176 HydrophobicContact CD2-CE2 4.32Å; R136-Y176 HydrophobicContact CB-CD1 4.46Å; R136-Y176 HydrophobicContact CB-CE1 3.64Å; R136-Y176 HydrophobicContact CG-CD1 4.35Å; R136-Y176 HydrophobicContact CG-CE1 3.74Å; L139-Y176 HydrophobicContact CD1-CD2 4.47Å; L139-Y176 HydrophobicContact CD1-CG 4.06Å; A172-Y176 HydrophobicContact CB-CD2 4.03Å; A172-Y176 HydrophobicContact CB-CG 4.42Å; D173-Y176 PolarHBondContact O-N 2.81Å; D173-Y176 WeakPolarHBondContact OD1-CB 3.41Å; D173-Y176 WeakPolarHBondContact OD1-CD1 3.47Å; D173-Y176 VanDerWaalsContact OD1-CG 3.26Å; D173-Y176 PolarHBondContact OD1-N 3.44Å; Y176-S178 VanDerWaalsContact C-N 3.29Å; Y176-S178 PolarHBondContact O-N 3.37Å; Y176-Y179 HydrophobicContact CD1-CD2 4.27Å; Y176-Y179 HydrophobicContact CD1-CE2 4.41Å; Y176-Y179 PolarHBondContact O-N 2.99Å; Y176-Y179 VanDerWaalsContact O-N 3.14Å; Y176-I180 VanDerWaalsContact O-CG1 3.3Å; Y176-I180 WeakPolarHBondContact O-CG1 3.4Å; Y176-I180 PolarHBondContact O-N 3.18Å |
| 177 | Q | 91.9 | Very high | 90.6 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56 | -43.1 | 169.5 | -72.5 | 173.4 | -4.8 | 0 | 0 | 111.4 | G169 A172 D173 Y179 I180 L181 W206 L210 V218 | G169-Q177 WeakPolarHBondContact O-CG 3.38Å; G169-Q177 PolarHBondContact O-NE2 3.22Å; A172-Q177 PolarHBondContact O-NE2 3.32Å; D173-Q177 WeakPolarHBondContact O-CB 3.48Å; D173-Q177 VanDerWaalsContact O-CG 3.29Å; D173-Q177 WeakPolarHBondContact O-CG 3.26Å; D173-Q177 PolarHBondContact O-N 3.42Å; Q177-Y179 PolarHBondContact O-N 2.83Å; Q177-I180 PolarHBondContact O-N 3.35Å; Q177-L181 WeakPolarHBondContact O-CB 3.36Å; Q177-L181 VanDerWaalsContact O-CG 3.24Å; Q177-L181 WeakPolarHBondContact O-CG 3.4Å; Q177-L181 PolarHBondContact O-N 3.23Å; Q177-W206 HydrophobicContact CG-CZ2 4.42Å; Q177-L210 HydrophobicContact CG-CD2 4.37Å; Q177-V218 HydrophobicContact CB-CG1 4.39Å; Q177-V218 HydrophobicContact CB-CG2 4.12Å |
| 178 | S | 91.8 | Very high | 90.6 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 8% | 0.084 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.9 | -34.3 | 176.3 | -174 | 0 | 0 | 0 | 0 | 113.5 | H174 N175 Y176 R182 | H174-S178 WeakPolarHBondContact O-CB 3.44Å; H174-S178 PolarHBondContact O-N 3.01Å; H174-S178 VanDerWaalsContact O-N 3.12Å; N175-S178 WeakPolarHBondContact O-CB 3.42Å; N175-S178 PolarHBondContact O-N 3.16Å; N175-S178 VanDerWaalsContact O-N 3.16Å; Y176-S178 VanDerWaalsContact C-N 3.29Å; Y176-S178 PolarHBondContact O-N 3.37Å; S178-R182 WeakPolarHBondContact O-CG 3.46Å; S178-R182 PolarHBondContact O-N 3.4Å |
| 179 | Y | 93.1 | Very high | 90.5 | Very high | 37 Ų | 37 | 32.3 Ų | 32.3 | 15% | 0.145 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.4 | -44 | 174.2 | -59.5 | -46.2 | 0 | 0 | 0 | 111.6 | R136 F140 N175 Y176 Q177 L181 R182 A183 | R136-Y179 HydrophobicContact CG-CE2 3.94Å; R136-Y179 PolarHBondContact NE-OH 3.32Å; R136-Y179 PolarHBondContact NH2-OH 3.31Å; F140-Y179 HydrophobicContact CD2-CD1 4Å; F140-Y179 AromaticContact CD2-CE1 3.67Å; F140-Y179 HydrophobicContact CD2-CE1 3.67Å; F140-Y179 HydrophobicContact CE2-CE1 4.34Å; N175-Y179 HydrophobicContact CB-CE2 4.39Å; N175-Y179 WeakPolarHBondContact O-CD2 3.49Å; N175-Y179 PolarHBondContact O-N 2.79Å; Y176-Y179 HydrophobicContact CD1-CD2 4.27Å; Y176-Y179 HydrophobicContact CD1-CE2 4.41Å; Y176-Y179 PolarHBondContact O-N 2.99Å; Y176-Y179 VanDerWaalsContact O-N 3.14Å; Q177-Y179 PolarHBondContact O-N 2.83Å; Y179-L181 VanDerWaalsContact C-N 3.34Å; Y179-L181 PolarHBondContact O-N 2.84Å; Y179-R182 PolarHBondContact O-N 2.92Å; Y179-R182 VanDerWaalsContact O-N 3.12Å; Y179-A183 PolarHBondContact O-N 2.96Å |
| 180 | I | 93.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 176.1 | -66.5 | 162.6 | 0 | 0 | 0 | 110.8 | L139 L165 V168 G169 Y176 Q177 R182 A183 L184 W206 | L139-I180 HydrophobicContact CD1-CD1 4.16Å; L139-I180 HydrophobicContact CD1-CG1 4.12Å; L139-I180 HydrophobicContact CD2-CD1 4.21Å; L139-I180 HydrophobicContact CD2-CG1 3.6Å; L139-I180 HydrophobicContact CG-CG1 4.44Å; L165-I180 HydrophobicContact CB-CG2 3.91Å; L165-I180 HydrophobicContact CD2-CG1 4.49Å; L165-I180 HydrophobicContact CD2-CG2 4.22Å; L165-I180 HydrophobicContact CG-CG2 4.45Å; V168-I180 HydrophobicContact CB-CD1 4.48Å; V168-I180 HydrophobicContact CG1-CD1 4.13Å; G169-I180 VanDerWaalsContact CA-CD1 3.46Å; Y176-I180 VanDerWaalsContact O-CG1 3.3Å; Y176-I180 WeakPolarHBondContact O-CG1 3.4Å; Y176-I180 PolarHBondContact O-N 3.18Å; Q177-I180 PolarHBondContact O-N 3.35Å; I180-R182 VanDerWaalsContact C-N 3.29Å; I180-R182 PolarHBondContact O-N 3.2Å; I180-A183 PolarHBondContact O-N 3.45Å; I180-L184 VanDerWaalsContact O-CB 3.31Å; I180-L184 WeakPolarHBondContact O-CB 3.28Å; I180-L184 PolarHBondContact O-N 3.18Å; I180-W206 HydrophobicContact CB-CH2 4.15Å; I180-W206 HydrophobicContact CG2-CH2 3.49Å; I180-W206 VanDerWaalsContact CG2-CH2 3.49Å; I180-W206 HydrophobicContact CG2-CZ3 3.87Å |
| 181 | L | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -31.9 | 176.8 | -71.4 | 173.1 | 0 | 0 | 0 | 112.9 | Q177 Y179 G185 W206 L207 L210 V218 T221 L225 | Q177-L181 WeakPolarHBondContact O-CB 3.36Å; Q177-L181 VanDerWaalsContact O-CG 3.24Å; Q177-L181 WeakPolarHBondContact O-CG 3.4Å; Q177-L181 PolarHBondContact O-N 3.23Å; Y179-L181 VanDerWaalsContact C-N 3.34Å; Y179-L181 PolarHBondContact O-N 2.84Å; L181-G185 PolarHBondContact O-N 3.38Å; L181-W206 HydrophobicContact CD2-CH2 4.39Å; L181-W206 HydrophobicContact CD2-CZ3 4.04Å; L181-L207 HydrophobicContact CD2-CD2 3.41Å; L181-L207 VanDerWaalsContact CD2-CD2 3.41Å; L181-L210 HydrophobicContact CD1-CD1 4.13Å; L181-L210 HydrophobicContact CD2-CD1 3.86Å; L181-L210 HydrophobicContact CG-CD1 4.26Å; L181-V218 HydrophobicContact CD1-CB 4.49Å; L181-V218 HydrophobicContact CD1-CG1 3.94Å; L181-T221 HydrophobicContact CB-CG2 3.74Å; L181-T221 HydrophobicContact CD1-CG2 4.32Å; L181-L225 HydrophobicContact CB-CD1 4.47Å; L181-L225 HydrophobicContact CD2-CD1 3.83Å |
| 182 | R | 92.3 | Very high | 90.7 | Very high | 89 Ų | 89 | 34.9 Ų | 34.9 | 34% | 0.336 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -75.7 | -34.2 | 175.7 | -71.5 | 172.6 | 95.4 | -174.2 | 1.1 | 112.3 | K143 S178 Y179 I180 Q186 D1128 D1131 | K143-R182 HydrophobicContact CD-CB 4.2Å; S178-R182 WeakPolarHBondContact O-CG 3.46Å; S178-R182 PolarHBondContact O-N 3.4Å; Y179-R182 PolarHBondContact O-N 2.92Å; Y179-R182 VanDerWaalsContact O-N 3.12Å; I180-R182 VanDerWaalsContact C-N 3.29Å; I180-R182 PolarHBondContact O-N 3.2Å; R182-Q186 PolarHBondContact O-N 2.8Å; R182-D1128 IonicContact NH2-OD2 2.92Å; R182-D1131 IonicContact CZ-OD2 3.22Å; R182-D1131 VanDerWaalsContact CZ-OD2 3.3Å; R182-D1131 IonicContact NE-OD1 2.69Å; R182-D1131 IonicContact NE-OD2 2.78Å; R182-D1131 PolarHBondContact NE-OD2 2.81Å; R182-D1131 VanDerWaalsContact NE-OD2 3.12Å; R182-D1131 IonicContact NH2-OD2 3.27Å; R182-D1131 PolarHBondContact NH2-OD2 3.39Å |
| 183 | A | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.5 | -44.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L142 F146 Y179 I180 G185 Q186 L187 | L142-A183 HydrophobicContact CB-CB 4.18Å; L142-A183 HydrophobicContact CD2-CB 3.83Å; L142-A183 HydrophobicContact CG-CB 3.96Å; F146-A183 HydrophobicContact CD2-CB 4.5Å; F146-A183 HydrophobicContact CE2-CB 4.45Å; Y179-A183 PolarHBondContact O-N 2.96Å; I180-A183 PolarHBondContact O-N 3.45Å; A183-G185 VanDerWaalsContact C-N 3.28Å; A183-G185 PolarHBondContact O-N 2.94Å; A183-Q186 WeakPolarHBondContact O-CB 3.38Å; A183-Q186 PolarHBondContact O-N 3.21Å; A183-Q186 VanDerWaalsContact O-N 3.12Å; A183-L187 WeakPolarHBondContact O-CG 3.47Å; A183-L187 PolarHBondContact O-N 3.31Å |
| 184 | L | 94.1 | Very high | 91 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.1 | -38.1 | 173.1 | -178.6 | 61.1 | 0 | 0 | 0 | 111.6 | L162 I180 L187 M188 V197 T203 W206 L207 L225 | L162-L184 HydrophobicContact CD2-CD1 3.89Å; I180-L184 VanDerWaalsContact O-CB 3.31Å; I180-L184 WeakPolarHBondContact O-CB 3.28Å; I180-L184 PolarHBondContact O-N 3.18Å; L184-L187 HydrophobicContact CD1-CD1 4.47Å; L184-L187 WeakPolarHBondContact O-CB 3.42Å; L184-L187 PolarHBondContact O-N 3.24Å; L184-M188 HydrophobicContact CD1-SD 4.48Å; L184-M188 HydrophobicContact CG-SD 4.18Å; L184-M188 WeakPolarHBondContact O-CG 3.36Å; L184-M188 PolarHBondContact O-N 2.96Å; L184-V197 HydrophobicContact CD1-CG2 3.86Å; L184-T203 HydrophobicContact CD1-CG2 4.05Å; L184-T203 HydrophobicContact CD2-CG2 3.8Å; L184-W206 HydrophobicContact CD2-CZ3 4.36Å; L184-L207 HydrophobicContact CD2-CD1 4.3Å; L184-L207 HydrophobicContact CD2-CD2 4.06Å; L184-L207 HydrophobicContact CD2-CG 4.35Å; L184-L225 HydrophobicContact CB-CD1 4.36Å; L184-L225 HydrophobicContact CD2-CD1 4.02Å; L184-L225 HydrophobicContact CG-CD1 4.11Å |
| 185 | G | 91.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L181 A183 M188 L189 M1134 | L181-G185 PolarHBondContact O-N 3.38Å; A183-G185 VanDerWaalsContact C-N 3.28Å; A183-G185 PolarHBondContact O-N 2.94Å; G185-M188 PolarHBondContact O-N 2.94Å; G185-L189 PolarHBondContact O-N 3.47Å; G185-M1134 VanDerWaalsContact O-CE 3.31Å; G185-M1134 WeakPolarHBondContact O-CE 3.36Å |
| 186 | Q | 92.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.3 | -39.5 | 172.7 | -176.3 | 61.1 | 72.2 | 0 | 0 | 112 | K143 F146 Q147 R182 A183 L189 F190 S1130 | K143-Q186 HydrophobicContact CG-CB 4.14Å; K143-Q186 HydrophobicContact CG-CG 4.42Å; F146-Q186 HydrophobicContact CB-CG 3.8Å; Q147-Q186 HydrophobicContact CB-CG 4.34Å; R182-Q186 PolarHBondContact O-N 2.8Å; A183-Q186 WeakPolarHBondContact O-CB 3.38Å; A183-Q186 PolarHBondContact O-N 3.21Å; A183-Q186 VanDerWaalsContact O-N 3.12Å; Q186-L189 PolarHBondContact O-N 2.96Å; Q186-F190 HydrophobicContact CG-CE2 4.31Å; Q186-F190 WeakPolarHBondContact O-CD2 3.43Å; Q186-F190 WeakPolarHBondContact O-CE2 3.24Å; Q186-S1130 PolarHBondContact OE1-OG 3.42Å |
| 187 | L | 92.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 173.1 | -70 | 169.5 | 0 | 0 | 0 | 111.5 | F146 V153 F156 L162 L165 A183 L184 L189 F190 G193 | F146-L187 HydrophobicContact CD1-CD2 4.01Å; F146-L187 HydrophobicContact CD2-CD1 4.33Å; F146-L187 HydrophobicContact CD2-CD2 3.75Å; F146-L187 HydrophobicContact CD2-CG 3.77Å; F146-L187 HydrophobicContact CE1-CD2 4Å; F146-L187 HydrophobicContact CE2-CD1 3.8Å; F146-L187 HydrophobicContact CE2-CD2 3.72Å; F146-L187 HydrophobicContact CE2-CG 3.74Å; F146-L187 HydrophobicContact CG-CD2 3.9Å; F146-L187 HydrophobicContact CG-CG 4.37Å; F146-L187 HydrophobicContact CZ-CD1 4.27Å; F146-L187 HydrophobicContact CZ-CD2 3.86Å; F146-L187 HydrophobicContact CZ-CG 4.33Å; V153-L187 HydrophobicContact CB-CD2 4.2Å; V153-L187 HydrophobicContact CG1-CD2 3.69Å; V153-L187 HydrophobicContact CG2-CD2 3.93Å; F156-L187 HydrophobicContact CD1-CD1 4.01Å; F156-L187 HydrophobicContact CD1-CD2 4.27Å; F156-L187 HydrophobicContact CE1-CD1 3.91Å; L162-L187 HydrophobicContact CD2-CD1 4.07Å; L165-L187 HydrophobicContact CD1-CD1 4.1Å; A183-L187 WeakPolarHBondContact O-CG 3.47Å; A183-L187 PolarHBondContact O-N 3.31Å; L184-L187 HydrophobicContact CD1-CD1 4.47Å; L184-L187 WeakPolarHBondContact O-CB 3.42Å; L184-L187 PolarHBondContact O-N 3.24Å; L187-L189 PolarHBondContact O-N 3.37Å; L187-F190 PolarHBondContact O-N 3.46Å; L187-F190 VanDerWaalsContact O-N 3.07Å; L187-G193 WeakPolarHBondContact O-CA 3.45Å |
| 188 | M | 89.9 | Confident | 91.3 | Very high | 7 Ų | 7 | 27 Ų | 27 | 3% | 0.034 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -6.9 | -179.2 | -71.7 | 175 | 68.3 | 0 | 0 | 114.9 | L184 G185 F190 M194 V197 L225 F229 | L184-M188 HydrophobicContact CD1-SD 4.48Å; L184-M188 HydrophobicContact CG-SD 4.18Å; L184-M188 WeakPolarHBondContact O-CG 3.36Å; L184-M188 PolarHBondContact O-N 2.96Å; G185-M188 PolarHBondContact O-N 2.94Å; M188-F190 VanDerWaalsContact C-N 3.34Å; M188-M194 HydrophobicContact CB-CE 4.04Å; M188-M194 HydrophobicContact CE-CE 3.69Å; M188-M194 HydrophobicContact CE-SD 4.16Å; M188-M194 HydrophobicContact CG-CE 4.37Å; M188-V197 HydrophobicContact CG-CG2 3.96Å; M188-V197 HydrophobicContact SD-CG1 4.42Å; M188-V197 HydrophobicContact SD-CG2 4.42Å; M188-L225 HydrophobicContact CE-CB 4.28Å; M188-L225 WeakPolarHBondContact CE-O 3.29Å; M188-L225 HydrophobicContact SD-CB 4.13Å; M188-L225 HydrophobicContact SD-CD1 4.36Å; M188-L225 HydrophobicContact SD-CD2 4.05Å; M188-L225 HydrophobicContact SD-CG 4.4Å; M188-F229 HydrophobicContact CE-CB 3.91Å |
| 189 | L | 89 | Confident | 91.3 | Very high | 51 Ų | 51 | 30.5 Ų | 30.5 | 27% | 0.267 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -12.3 | 169.5 | -67.7 | 177.5 | 0 | 0 | 0 | 113.1 | G185 Q186 L187 I1133 L1137 | G185-L189 PolarHBondContact O-N 3.47Å; Q186-L189 PolarHBondContact O-N 2.96Å; L187-L189 PolarHBondContact O-N 3.37Å; L189-I1133 HydrophobicContact CD1-CG2 4.4Å; L189-I1133 HydrophobicContact CD2-CG2 3.78Å; L189-L1137 HydrophobicContact CD2-CD1 3.83Å |
| 190 | F | 88.8 | Confident | 91.4 | Very high | 52 Ų | 52 | 30.8 Ų | 30.8 | 23% | 0.228 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -103.1 | 147.7 | 175.9 | -56.9 | -78.5 | 0 | 0 | 0 | 110.8 | F146 K150 V153 Q186 L187 M188 D192 G193 M194 | F146-F190 VanDerWaalsContact O-CE2 3.28Å; F146-F190 WeakPolarHBondContact O-CE2 3.28Å; F146-F190 VanDerWaalsContact O-CZ 3.32Å; F146-F190 WeakPolarHBondContact O-CZ 3.42Å; K150-F190 HydrophobicContact CB-CD1 4.21Å; K150-F190 HydrophobicContact CB-CE1 3.51Å; K150-F190 HydrophobicContact CB-CZ 3.86Å; V153-F190 HydrophobicContact CB-CD2 4.38Å; V153-F190 HydrophobicContact CG1-CB 4.07Å; V153-F190 HydrophobicContact CG1-CD2 4.18Å; V153-F190 HydrophobicContact CG1-CG 4.4Å; V153-F190 HydrophobicContact CG2-CD2 3.69Å; V153-F190 HydrophobicContact CG2-CE2 3.85Å; V153-F190 HydrophobicContact CG2-CG 4.32Å; Q186-F190 HydrophobicContact CG-CE2 4.31Å; Q186-F190 WeakPolarHBondContact O-CD2 3.43Å; Q186-F190 WeakPolarHBondContact O-CE2 3.24Å; L187-F190 PolarHBondContact O-N 3.46Å; L187-F190 VanDerWaalsContact O-N 3.07Å; M188-F190 VanDerWaalsContact C-N 3.34Å; F190-D192 PolarHBondContact O-N 3.11Å; F190-G193 PolarHBondContact O-N 3.31Å; F190-M194 WeakPolarHBondContact O-CB 3.41Å; F190-M194 PolarHBondContact O-N 3.01Å |
| 191 | V | 87.6 | Confident | 91.3 | Very high | 85 Ų | 85 | 32.9 Ų | 32.9 | 52% | 0.515 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60 | -50.6 | -176.8 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | G193 M194 L195 | V191-G193 VanDerWaalsContact C-N 3.34Å; V191-G193 PolarHBondContact O-N 3.46Å; V191-M194 PolarHBondContact O-N 3.22Å; V191-L195 HydrophobicContact CG1-CD1 3.92Å; V191-L195 HydrophobicContact CG1-CG 4.41Å; V191-L195 WeakPolarHBondContact O-CB 3.41Å; V191-L195 VanDerWaalsContact O-CG 3.32Å; V191-L195 WeakPolarHBondContact O-CG 3.17Å; V191-L195 PolarHBondContact O-N 2.94Å |
| 192 | D | 87.1 | Confident | 91.3 | Very high | 84 Ų | 84 | 37.1 Ų | 37.1 | 45% | 0.449 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.3 | -33.8 | -178.2 | -49.2 | -79.5 | 0 | 0 | 0 | 112.5 | P154 F190 L195 G196 | P154-D192 HydrophobicContact CB-CB 4.04Å; F190-D192 PolarHBondContact O-N 3.11Å; D192-L195 PolarHBondContact O-N 2.96Å; D192-G196 PolarHBondContact O-N 3.02Å |
| 193 | G | 90.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L187 F190 V191 G196 V197 | L187-G193 WeakPolarHBondContact O-CA 3.45Å; F190-G193 PolarHBondContact O-N 3.31Å; V191-G193 VanDerWaalsContact C-N 3.34Å; V191-G193 PolarHBondContact O-N 3.46Å; G193-G196 PolarHBondContact O-N 2.93Å; G193-V197 WeakPolarHBondContact O-CG2 3.31Å; G193-V197 PolarHBondContact O-N 3.25Å |
| 194 | M | 92.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 173.5 | 179.1 | 61.6 | 76.5 | 0 | 0 | 112 | M188 F190 V191 G196 V197 V198 V228 F229 Y232 | M188-M194 HydrophobicContact CB-CE 4.04Å; M188-M194 HydrophobicContact CE-CE 3.69Å; M188-M194 HydrophobicContact CE-SD 4.16Å; M188-M194 HydrophobicContact CG-CE 4.37Å; F190-M194 WeakPolarHBondContact O-CB 3.41Å; F190-M194 PolarHBondContact O-N 3.01Å; V191-M194 PolarHBondContact O-N 3.22Å; M194-G196 VanDerWaalsContact C-N 3.28Å; M194-G196 PolarHBondContact O-N 3.28Å; M194-V197 PolarHBondContact O-N 3.48Å; M194-V197 VanDerWaalsContact O-N 3.11Å; M194-V198 WeakPolarHBondContact O-CG2 3.47Å; M194-V198 PolarHBondContact O-N 3.03Å; M194-V228 HydrophobicContact CE-CG1 3.93Å; M194-F229 HydrophobicContact SD-CD2 3.97Å; M194-Y232 HydrophobicContact CB-CE1 4.44Å; M194-Y232 HydrophobicContact CB-CE2 4.35Å; M194-Y232 HydrophobicContact CE-CD2 4.28Å; M194-Y232 HydrophobicContact CE-CG 4.14Å; M194-Y232 HydrophobicContact CG-CD1 3.45Å; M194-Y232 VanDerWaalsContact CG-CD1 3.45Å; M194-Y232 HydrophobicContact CG-CD2 3.79Å; M194-Y232 HydrophobicContact CG-CE1 3.49Å; M194-Y232 VanDerWaalsContact CG-CE1 3.49Å; M194-Y232 HydrophobicContact CG-CE2 3.82Å; M194-Y232 HydrophobicContact CG-CG 3.59Å; M194-Y232 HydrophobicContact SD-CD1 4.19Å; M194-Y232 HydrophobicContact SD-CG 4.11Å |
| 195 | L | 90 | Very high | 91.6 | Very high | 89 Ų | 89 | 34.4 Ų | 34.4 | 47% | 0.466 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.8 | -36.9 | 175.7 | -70.5 | 174.3 | 0 | 0 | 0 | 111.8 | V191 D192 V198 A199 | V191-L195 HydrophobicContact CG1-CD1 3.92Å; V191-L195 HydrophobicContact CG1-CG 4.41Å; V191-L195 WeakPolarHBondContact O-CB 3.41Å; V191-L195 VanDerWaalsContact O-CG 3.32Å; V191-L195 WeakPolarHBondContact O-CG 3.17Å; V191-L195 PolarHBondContact O-N 2.94Å; D192-L195 PolarHBondContact O-N 2.96Å; L195-V198 PolarHBondContact O-N 3.19Å; L195-A199 PolarHBondContact O-N 2.87Å |
| 196 | G | 90.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 6% | 0.062 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V157 D192 G193 M194 A199 H200 | V157-G196 VanDerWaalsContact CG1-CA 3.46Å; D192-G196 PolarHBondContact O-N 3.02Å; G193-G196 PolarHBondContact O-N 2.93Å; M194-G196 VanDerWaalsContact C-N 3.28Å; M194-G196 PolarHBondContact O-N 3.28Å; G196-A199 PolarHBondContact O-N 3.07Å; G196-H200 VanDerWaalsContact O-CB 3.24Å; G196-H200 WeakPolarHBondContact O-CB 3.11Å; G196-H200 PolarHBondContact O-N 2.94Å |
| 197 | V | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.1 | -34.4 | 175.7 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | L162 L184 M188 G193 M194 H200 T203 F229 | L162-V197 HydrophobicContact CD1-CG2 4.14Å; L162-V197 HydrophobicContact CD2-CG2 4.28Å; L184-V197 HydrophobicContact CD1-CG2 3.86Å; M188-V197 HydrophobicContact CG-CG2 3.96Å; M188-V197 HydrophobicContact SD-CG1 4.42Å; M188-V197 HydrophobicContact SD-CG2 4.42Å; G193-V197 WeakPolarHBondContact O-CG2 3.31Å; G193-V197 PolarHBondContact O-N 3.25Å; M194-V197 PolarHBondContact O-N 3.48Å; M194-V197 VanDerWaalsContact O-N 3.11Å; V197-H200 PolarHBondContact O-N 3.17Å; V197-T203 HydrophobicContact CG1-CG2 4.02Å; V197-T203 HydrophobicContact CG2-CG2 4.25Å; V197-F229 HydrophobicContact CG1-CD2 3.95Å; V197-F229 HydrophobicContact CG1-CE2 4.07Å |
| 198 | V | 91.9 | Very high | 92.2 | Very high | 37 Ų | 37 | 35 Ų | 35 | 22% | 0.224 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 172.8 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | M194 L195 F229 L239 | M194-V198 WeakPolarHBondContact O-CG2 3.47Å; M194-V198 PolarHBondContact O-N 3.03Å; L195-V198 PolarHBondContact O-N 3.19Å; V198-F229 HydrophobicContact CB-CE2 4.35Å; V198-F229 HydrophobicContact CG2-CD2 4.39Å; V198-F229 HydrophobicContact CG2-CE2 3.59Å; V198-F229 HydrophobicContact CG2-CZ 4.27Å; V198-L239 HydrophobicContact CG1-CD1 3.81Å |
| 199 | A | 91.9 | Very high | 92.4 | Very high | 86 Ų | 86 | 37.7 Ų | 37.7 | 71% | 0.711 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -72.1 | -34.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L195 G196 S201 | L195-A199 PolarHBondContact O-N 2.87Å; G196-A199 PolarHBondContact O-N 3.07Å; A199-S201 PolarHBondContact O-N 2.92Å |
| 200 | H | 93.9 | Very high | 92.6 | Very high | 43 Ų | 43 | 35.8 Ų | 35.8 | 20% | 0.199 | 21% | 0.208 | C | C | . | . | trans | -94 | 82.1 | -171.3 | -159.3 | -104.1 | 0 | 0 | 0 | 113.3 | L162 S163 I166 G196 V197 D202 T203 | L162-H200 HydrophobicContact CD1-CB 3.85Å; S163-H200 PolarHBondContact OG-NE2 3.24Å; I166-H200 VanDerWaalsContact CD1-CE1 3.45Å; I166-H200 WeakPolarHBondContact CD1-CE1 3.45Å; G196-H200 VanDerWaalsContact O-CB 3.24Å; G196-H200 WeakPolarHBondContact O-CB 3.11Å; G196-H200 PolarHBondContact O-N 2.94Å; V197-H200 PolarHBondContact O-N 3.17Å; H200-D202 PolarHBondContact O-N 3.23Å; H200-T203 PolarHBondContact ND1-OG1 3.46Å; H200-T203 WeakPolarHBondContact O-CB 3.39Å; H200-T203 PolarHBondContact O-N 3.06Å; H200-T203 PolarHBondContact O-OG1 2.99Å | ||
| 201 | S | 91.6 | Very high | 92.7 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 32% | 0.322 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -46.8 | -36 | 179.6 | -175.1 | 0 | 0 | 0 | 0 | 114.3 | A199 T203 I204 Q205 | A199-S201 PolarHBondContact O-N 2.92Å; S201-T203 VanDerWaalsContact C-N 3.29Å; S201-T203 PolarHBondContact O-N 3.5Å; S201-I204 PolarHBondContact O-N 3.35Å; S201-Q205 WeakPolarHBondContact O-CG 3.22Å; S201-Q205 PolarHBondContact O-N 2.67Å; S201-Q205 VanDerWaalsContact O-N 3.1Å; S201-Q205 PolarHBondContact O-NE2 3.05Å; S201-Q205 PolarHBondContact OG-NE2 3.26Å |
| 202 | D | 93.5 | Very high | 92.8 | Very high | 89 Ų | 89 | 32.4 Ų | 32.4 | 48% | 0.476 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -71.6 | -24.5 | -176.5 | -64.5 | -10.8 | 0 | 0 | 0 | 112.5 | I166 H200 Q205 W206 | I166-D202 HydrophobicContact CD1-CB 4.24Å; H200-D202 PolarHBondContact O-N 3.23Å; D202-Q205 PolarHBondContact OD1-NE2 3.12Å; D202-W206 VanDerWaalsContact O-CB 3.26Å; D202-W206 WeakPolarHBondContact O-CB 3.32Å; D202-W206 PolarHBondContact O-N 3.26Å |
| 203 | T | 95.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 170.9 | -47.9 | 0 | 0 | 0 | 0 | 110.7 | L184 V197 H200 S201 W206 L207 | L184-T203 HydrophobicContact CD1-CG2 4.05Å; L184-T203 HydrophobicContact CD2-CG2 3.8Å; V197-T203 HydrophobicContact CG1-CG2 4.02Å; V197-T203 HydrophobicContact CG2-CG2 4.25Å; H200-T203 PolarHBondContact ND1-OG1 3.46Å; H200-T203 WeakPolarHBondContact O-CB 3.39Å; H200-T203 PolarHBondContact O-N 3.06Å; H200-T203 PolarHBondContact O-OG1 2.99Å; S201-T203 VanDerWaalsContact C-N 3.29Å; S201-T203 PolarHBondContact O-N 3.5Å; T203-W206 PolarHBondContact O-N 3.29Å; T203-L207 HydrophobicContact CG2-CD1 4.35Å; T203-L207 WeakPolarHBondContact O-CB 3.37Å; T203-L207 VanDerWaalsContact O-CG 3.29Å; T203-L207 WeakPolarHBondContact O-CG 3.31Å; T203-L207 PolarHBondContact O-N 3.48Å |
| 204 | I | 95.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.7 | -41.2 | -177.2 | -48.4 | 165.7 | 0 | 0 | 0 | 110 | S201 L207 Y208 L226 F229 L239 F240 A243 | S201-I204 PolarHBondContact O-N 3.35Å; I204-L207 PolarHBondContact O-N 3.49Å; I204-Y208 PolarHBondContact O-N 3.4Å; I204-L226 HydrophobicContact CG2-CD2 4.29Å; I204-F229 HydrophobicContact CD1-CE1 3.83Å; I204-F229 HydrophobicContact CD1-CE2 3.97Å; I204-F229 HydrophobicContact CD1-CZ 3.32Å; I204-F229 HydrophobicContact CG1-CE1 4.24Å; I204-F229 HydrophobicContact CG1-CE2 4.24Å; I204-F229 HydrophobicContact CG1-CZ 3.93Å; I204-F229 HydrophobicContact CG2-CE1 4.27Å; I204-L239 HydrophobicContact CD1-CB 4.34Å; I204-F240 HydrophobicContact CG2-CB 4.5Å; I204-F240 HydrophobicContact CG2-CD2 3.96Å; I204-A243 HydrophobicContact CB-CB 3.9Å; I204-A243 HydrophobicContact CG2-CB 3.56Å |
| 205 | Q | 95.1 | Very high | 92.5 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 13% | 0.131 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 174.3 | -70.2 | 166.5 | 96.1 | 0 | 0 | 111.7 | S201 D202 Y208 T209 A243 S246 V247 | S201-Q205 WeakPolarHBondContact O-CG 3.22Å; S201-Q205 PolarHBondContact O-N 2.67Å; S201-Q205 VanDerWaalsContact O-N 3.1Å; S201-Q205 PolarHBondContact O-NE2 3.05Å; S201-Q205 PolarHBondContact OG-NE2 3.26Å; D202-Q205 PolarHBondContact OD1-NE2 3.12Å; Q205-Y208 PolarHBondContact O-N 2.64Å; Q205-T209 WeakPolarHBondContact O-CB 3.05Å; Q205-T209 PolarHBondContact O-N 2.73Å; Q205-T209 PolarHBondContact O-OG1 3.1Å; Q205-A243 HydrophobicContact CG-CB 3.66Å; Q205-S246 PolarHBondContact OE1-OG 2.77Å; Q205-V247 HydrophobicContact CB-CG2 3.71Å; Q205-V247 HydrophobicContact CG-CG2 4.04Å |
| 206 | W | 95.4 | Very high | 92.5 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 8% | 0.08 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 175.8 | -175.5 | 66.5 | 0 | 0 | 0 | 111.7 | I166 Q177 I180 L181 L184 D202 T203 Y208 T209 L210 | I166-W206 HydrophobicContact CG1-CB 4.27Å; I166-W206 HydrophobicContact CG1-CD2 4.27Å; I166-W206 HydrophobicContact CG1-CE3 4.21Å; I166-W206 HydrophobicContact CG1-CG 4.32Å; I166-W206 HydrophobicContact CG2-CB 4.02Å; I166-W206 HydrophobicContact CG2-CD2 4.44Å; I166-W206 HydrophobicContact CG2-CG 3.91Å; Q177-W206 HydrophobicContact CG-CZ2 4.42Å; I180-W206 HydrophobicContact CB-CH2 4.15Å; I180-W206 HydrophobicContact CG2-CH2 3.49Å; I180-W206 VanDerWaalsContact CG2-CH2 3.49Å; I180-W206 HydrophobicContact CG2-CZ3 3.87Å; L181-W206 HydrophobicContact CD2-CH2 4.39Å; L181-W206 HydrophobicContact CD2-CZ3 4.04Å; L184-W206 HydrophobicContact CD2-CZ3 4.36Å; D202-W206 VanDerWaalsContact O-CB 3.26Å; D202-W206 WeakPolarHBondContact O-CB 3.32Å; D202-W206 PolarHBondContact O-N 3.26Å; T203-W206 PolarHBondContact O-N 3.29Å; W206-Y208 PolarHBondContact O-N 3.44Å; W206-T209 WeakPolarHBondContact O-CB 3.4Å; W206-T209 PolarHBondContact O-N 2.75Å; W206-T209 VanDerWaalsContact O-N 3.09Å; W206-L210 HydrophobicContact CD2-CD1 3.86Å; W206-L210 HydrophobicContact CD2-CG 4.38Å; W206-L210 HydrophobicContact CE3-CD1 3.94Å; W206-L210 HydrophobicContact CH2-CD1 3.74Å; W206-L210 HydrophobicContact CZ2-CD1 3.65Å; W206-L210 HydrophobicContact CZ2-CD2 4.37Å; W206-L210 HydrophobicContact CZ2-CG 4.4Å; W206-L210 HydrophobicContact CZ3-CD1 3.89Å; W206-L210 WeakPolarHBondContact O-CG 3.42Å; W206-L210 PolarHBondContact O-N 3.48Å |
| 207 | L | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 174.8 | -74.1 | 173.1 | 0 | 0 | 0 | 112.8 | L181 L184 T203 I204 T209 L210 C211 A222 L225 L226 | L181-L207 HydrophobicContact CD2-CD2 3.41Å; L181-L207 VanDerWaalsContact CD2-CD2 3.41Å; L184-L207 HydrophobicContact CD2-CD1 4.3Å; L184-L207 HydrophobicContact CD2-CD2 4.06Å; L184-L207 HydrophobicContact CD2-CG 4.35Å; T203-L207 HydrophobicContact CG2-CD1 4.35Å; T203-L207 WeakPolarHBondContact O-CB 3.37Å; T203-L207 VanDerWaalsContact O-CG 3.29Å; T203-L207 WeakPolarHBondContact O-CG 3.31Å; T203-L207 PolarHBondContact O-N 3.48Å; I204-L207 PolarHBondContact O-N 3.49Å; L207-T209 VanDerWaalsContact C-N 3.35Å; L207-L210 PolarHBondContact O-N 3.42Å; L207-C211 PolarHBondContact O-N 3.45Å; L207-C211 PolarHBondContact O-SG 3.07Å; L207-C211 VanDerWaalsContact O-SG 3.36Å; L207-A222 HydrophobicContact CD2-CB 4.37Å; L207-L225 HydrophobicContact CD1-CB 4.2Å; L207-L225 HydrophobicContact CD2-CB 4.19Å; L207-L225 HydrophobicContact CD2-CD1 3.83Å; L207-L226 HydrophobicContact CB-CD1 4.34Å; L207-L226 HydrophobicContact CB-CD2 3.78Å; L207-L226 HydrophobicContact CB-CG 4.01Å; L207-L226 HydrophobicContact CD1-CD2 4.18Å |
| 208 | Y | 95.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 175.2 | 175.7 | -106.5 | 0 | 0 | 0 | 112.5 | I204 Q205 W206 C211 F240 V244 V247 W256 A257 N258 L259 | I204-Y208 PolarHBondContact O-N 3.4Å; Q205-Y208 PolarHBondContact O-N 2.64Å; W206-Y208 PolarHBondContact O-N 3.44Å; Y208-C211 VanDerWaalsContact O-CB 3.32Å; Y208-C211 WeakPolarHBondContact O-CB 3.48Å; Y208-C211 PolarHBondContact O-N 3.32Å; Y208-F240 HydrophobicContact CD2-CE2 4.19Å; Y208-F240 HydrophobicContact CD2-CZ 4.39Å; Y208-V244 HydrophobicContact CD1-CG2 4.3Å; Y208-V244 HydrophobicContact CD2-CG2 3.76Å; Y208-V244 HydrophobicContact CE1-CB 4.4Å; Y208-V244 HydrophobicContact CE1-CG1 4.18Å; Y208-V244 HydrophobicContact CE1-CG2 4.37Å; Y208-V244 HydrophobicContact CE2-CG1 4.26Å; Y208-V244 HydrophobicContact CE2-CG2 3.81Å; Y208-V244 HydrophobicContact CG-CG2 4.01Å; Y208-V247 HydrophobicContact CD1-CB 3.74Å; Y208-V247 HydrophobicContact CD1-CG1 3.81Å; Y208-V247 HydrophobicContact CD1-CG2 4.03Å; Y208-V247 HydrophobicContact CE1-CB 3.97Å; Y208-V247 HydrophobicContact CE1-CG1 3.88Å; Y208-W256 VanDerWaalsContact OH-C 3.3Å; Y208-W256 VanDerWaalsContact OH-CA 3.24Å; Y208-W256 WeakPolarHBondContact OH-CA 3.46Å; Y208-W256 PolarHBondContact OH-N 3.41Å; Y208-A257 PolarHBondContact OH-N 3.03Å; Y208-N258 HydrophobicContact CE1-CB 4.43Å; Y208-N258 HydrophobicContact CE2-CB 3.84Å; Y208-N258 PolarHBondContact O-ND2 2.68Å; Y208-N258 PolarHBondContact OH-N 2.91Å; Y208-L259 HydrophobicContact CE2-CG 4.25Å |
| 209 | T | 94 | Very high | 92.3 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 39% | 0.393 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 174.6 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | Q205 W206 L207 C211 A212 | Q205-T209 WeakPolarHBondContact O-CB 3.05Å; Q205-T209 PolarHBondContact O-N 2.73Å; Q205-T209 PolarHBondContact O-OG1 3.1Å; W206-T209 WeakPolarHBondContact O-CB 3.4Å; W206-T209 PolarHBondContact O-N 2.75Å; W206-T209 VanDerWaalsContact O-N 3.09Å; L207-T209 VanDerWaalsContact C-N 3.35Å; T209-C211 PolarHBondContact O-N 3.09Å; T209-C211 VanDerWaalsContact O-N 3.17Å; T209-A212 PolarHBondContact O-N 2.89Å |
| 210 | L | 93.1 | Very high | 92.2 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.5 | -15.9 | 176.4 | -69.1 | 176 | 0 | 0 | 0 | 114 | Q177 L181 W206 L207 A212 S213 V218 A222 | Q177-L210 HydrophobicContact CG-CD2 4.37Å; L181-L210 HydrophobicContact CD1-CD1 4.13Å; L181-L210 HydrophobicContact CD2-CD1 3.86Å; L181-L210 HydrophobicContact CG-CD1 4.26Å; W206-L210 HydrophobicContact CD2-CD1 3.86Å; W206-L210 HydrophobicContact CD2-CG 4.38Å; W206-L210 HydrophobicContact CE3-CD1 3.94Å; W206-L210 HydrophobicContact CH2-CD1 3.74Å; W206-L210 HydrophobicContact CZ2-CD1 3.65Å; W206-L210 HydrophobicContact CZ2-CD2 4.37Å; W206-L210 HydrophobicContact CZ2-CG 4.4Å; W206-L210 HydrophobicContact CZ3-CD1 3.89Å; W206-L210 WeakPolarHBondContact O-CG 3.42Å; W206-L210 PolarHBondContact O-N 3.48Å; L207-L210 PolarHBondContact O-N 3.42Å; L210-A212 PolarHBondContact O-N 3.32Å; L210-S213 WeakPolarHBondContact O-CB 3.47Å; L210-S213 PolarHBondContact O-N 3Å; L210-V218 HydrophobicContact CB-CG1 4.09Å; L210-V218 HydrophobicContact CD1-CG1 4.37Å; L210-V218 HydrophobicContact CD2-CG1 3.93Å; L210-V218 HydrophobicContact CG-CG1 4.36Å; L210-A222 HydrophobicContact CB-CB 4.02Å |
| 211 | C | 91.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.1 | 171.6 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | L207 Y208 T209 N258 L259 I262 | L207-C211 PolarHBondContact O-N 3.45Å; L207-C211 PolarHBondContact O-SG 3.07Å; L207-C211 VanDerWaalsContact O-SG 3.36Å; Y208-C211 VanDerWaalsContact O-CB 3.32Å; Y208-C211 WeakPolarHBondContact O-CB 3.48Å; Y208-C211 PolarHBondContact O-N 3.32Å; T209-C211 PolarHBondContact O-N 3.09Å; T209-C211 VanDerWaalsContact O-N 3.17Å; C211-N258 HydrophobicContact CB-CB 4.15Å; C211-L259 HydrophobicContact CB-CD2 4.23Å; C211-I262 HydrophobicContact CB-CD1 4.31Å |
| 212 | A | 89.6 | Confident | 92.3 | Very high | 63 Ų | 63 | 37.9 Ų | 37.9 | 52% | 0.521 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 10.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T209 L210 N258 | T209-A212 PolarHBondContact O-N 2.89Å; L210-A212 PolarHBondContact O-N 3.32Å; A212-N258 HydrophobicContact CB-CB 4.33Å |
| 213 | S | 90.2 | Very high | 92.4 | Very high | 32 Ų | 32 | 33.7 Ų | 33.7 | 22% | 0.224 | 18% | 0.183 | C | C | . | . | trans | -70.3 | 139.4 | -179.5 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | L210 S215 V219 | L210-S213 WeakPolarHBondContact O-CB 3.47Å; L210-S213 PolarHBondContact O-N 3Å; S213-S215 PolarHBondContact O-N 3.24Å; S213-S215 VanDerWaalsContact O-N 3.15Å; S213-S215 PolarHBondContact OG-N 2.9Å; S213-V219 WeakPolarHBondContact O-CG2 3.5Å | ||
| 214 | L | 85.9 | Confident | 92.3 | Very high | 181 Ų | 181 | 34.6 Ų | 34.6 | 95% | 0.948 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -63.4 | -16.8 | 172.8 | -61.2 | 176.3 | 0 | 0 | 0 | 113.1 | ||
| 215 | S | 88.6 | Confident | 92.3 | Very high | 26 Ų | 26 | 34.4 Ų | 34.4 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | trans | -89.7 | 105.4 | 176.6 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | S213 L217 V218 V219 | S213-S215 PolarHBondContact O-N 3.24Å; S213-S215 VanDerWaalsContact O-N 3.15Å; S213-S215 PolarHBondContact OG-N 2.9Å; S215-L217 PolarHBondContact O-N 2.84Å; S215-L217 VanDerWaalsContact O-N 3.09Å; S215-V218 WeakPolarHBondContact O-CA 3.49Å; S215-V218 WeakPolarHBondContact O-CB 3.32Å; S215-V218 PolarHBondContact O-N 2.82Å; S215-V219 PolarHBondContact O-N 2.83Å | ||
| 216 | R | 88.1 | Confident | 92.3 | Very high | 104 Ų | 104 | 33.1 Ų | 33.1 | 39% | 0.392 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -54.3 | -29.4 | 176.4 | -72.3 | -174.8 | 173.8 | -173.5 | 0.2 | 113.6 | K220 E265 G268 L273 | R216-K220 WeakPolarHBondContact O-CB 3.37Å; R216-K220 PolarHBondContact O-N 3.12Å; R216-E265 IonicContact CZ-OE1 3.3Å; R216-E265 IonicContact CZ-OE2 2.67Å; R216-E265 IonicContact NE-OE1 2.64Å; R216-E265 IonicContact NE-OE2 3.64Å; R216-E265 IonicContact NH2-OE1 3.85Å; R216-E265 PolarHBondContact NH2-OE1 3.41Å; R216-E265 IonicContact NH2-OE2 3.12Å; R216-E265 PolarHBondContact NH2-OE2 3.41Å; R216-G268 VanDerWaalsContact CZ-O 3.32Å; R216-G268 PolarHBondContact NH1-O 3.09Å; R216-G268 PolarHBondContact NH2-O 2.76Å; R216-L273 HydrophobicContact CB-CD1 4.35Å; R216-L273 HydrophobicContact CG-CD1 4.24Å |
| 217 | L | 88.8 | Confident | 92.2 | Very high | 101 Ų | 101 | 32.1 Ų | 32.1 | 53% | 0.529 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -68.5 | -39.1 | 174.7 | 179.3 | 61.8 | 0 | 0 | 0 | 112.4 | S215 T221 | S215-L217 PolarHBondContact O-N 2.84Å; S215-L217 VanDerWaalsContact O-N 3.09Å; L217-T221 WeakPolarHBondContact O-CB 3.27Å; L217-T221 PolarHBondContact O-N 2.9Å; L217-T221 PolarHBondContact O-OG1 2.89Å |
| 218 | V | 91.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.2 | -47.6 | 176 | 172.7 | 0 | 0 | 0 | 0 | 109.7 | H174 Q177 L181 L210 S215 K220 T221 A222 | H174-V218 HydrophobicContact CB-CG2 4.14Å; H174-V218 WeakPolarHBondContact O-CG2 3.44Å; Q177-V218 HydrophobicContact CB-CG1 4.39Å; Q177-V218 HydrophobicContact CB-CG2 4.12Å; L181-V218 HydrophobicContact CD1-CB 4.49Å; L181-V218 HydrophobicContact CD1-CG1 3.94Å; L210-V218 HydrophobicContact CB-CG1 4.09Å; L210-V218 HydrophobicContact CD1-CG1 4.37Å; L210-V218 HydrophobicContact CD2-CG1 3.93Å; L210-V218 HydrophobicContact CG-CG1 4.36Å; S215-V218 WeakPolarHBondContact O-CA 3.49Å; S215-V218 WeakPolarHBondContact O-CB 3.32Å; S215-V218 PolarHBondContact O-N 2.82Å; V218-K220 PolarHBondContact O-N 2.95Å; V218-T221 PolarHBondContact O-N 3.44Å; V218-A222 WeakPolarHBondContact O-CB 3.42Å; V218-A222 PolarHBondContact O-N 3.5Å |
| 219 | V | 92.5 | Very high | 92 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.2 | -48.6 | 174.2 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | S213 S215 T221 A222 L223 I262 L273 | S213-V219 WeakPolarHBondContact O-CG2 3.5Å; S215-V219 PolarHBondContact O-N 2.83Å; V219-T221 VanDerWaalsContact C-N 3.3Å; V219-T221 PolarHBondContact O-N 2.92Å; V219-A222 PolarHBondContact O-N 2.75Å; V219-L223 HydrophobicContact CG1-CD1 4.03Å; V219-L223 HydrophobicContact CG1-CG 4.36Å; V219-L223 WeakPolarHBondContact O-CB 3.44Å; V219-L223 WeakPolarHBondContact O-CG 3.4Å; V219-L223 PolarHBondContact O-N 2.82Å; V219-I262 HydrophobicContact CG1-CD1 3.67Å; V219-I262 HydrophobicContact CG1-CG1 4.37Å; V219-L273 HydrophobicContact CG1-CD2 4.19Å |
| 220 | K | 91.4 | Very high | 91.9 | Very high | 39 Ų | 39 | 30 Ų | 30 | 17% | 0.17 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.8 | -43.1 | 179.4 | -162.7 | 158.9 | -171.5 | 163.3 | 0 | 112 | R216 V218 K224 D270 E272 L273 Y276 | R216-K220 WeakPolarHBondContact O-CB 3.37Å; R216-K220 PolarHBondContact O-N 3.12Å; V218-K220 PolarHBondContact O-N 2.95Å; K220-K224 VanDerWaalsContact O-CG 3.3Å; K220-K224 WeakPolarHBondContact O-CG 3.38Å; K220-K224 PolarHBondContact O-N 2.78Å; K220-K224 VanDerWaalsContact O-N 3.17Å; K220-D270 IonicContact NZ-OD1 3.46Å; K220-D270 IonicContact NZ-OD2 3.32Å; K220-D270 PolarHBondContact NZ-OD2 2.68Å; K220-E272 WeakPolarHBondContact CE-OE2 3.46Å; K220-E272 IonicContact NZ-OE1 3.7Å; K220-E272 IonicContact NZ-OE2 3.4Å; K220-E272 PolarHBondContact NZ-OE2 3.48Å; K220-L273 HydrophobicContact CB-CD2 3.64Å; K220-L273 HydrophobicContact CD-CD2 4.34Å; K220-L273 HydrophobicContact CG-CD2 3.9Å; K220-Y276 HydrophobicContact CG-CD2 4.47Å; K220-Y276 HydrophobicContact CG-CE2 4.05Å |
| 221 | T | 92.3 | Very high | 91.7 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.7 | -40.4 | -178.8 | -46.5 | 0 | 0 | 0 | 0 | 111.1 | L181 L217 V218 V219 K224 L225 | L181-T221 HydrophobicContact CB-CG2 3.74Å; L181-T221 HydrophobicContact CD1-CG2 4.32Å; L217-T221 WeakPolarHBondContact O-CB 3.27Å; L217-T221 PolarHBondContact O-N 2.9Å; L217-T221 PolarHBondContact O-OG1 2.89Å; V218-T221 PolarHBondContact O-N 3.44Å; V219-T221 VanDerWaalsContact C-N 3.3Å; V219-T221 PolarHBondContact O-N 2.92Å; T221-K224 WeakPolarHBondContact O-CB 3.49Å; T221-K224 PolarHBondContact O-N 3.09Å; T221-L225 WeakPolarHBondContact O-CG 3.37Å; T221-L225 PolarHBondContact O-N 2.75Å |
| 222 | A | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.2 | -44.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L207 L210 V218 V219 K224 L225 L226 | L207-A222 HydrophobicContact CD2-CB 4.37Å; L210-A222 HydrophobicContact CB-CB 4.02Å; V218-A222 WeakPolarHBondContact O-CB 3.42Å; V218-A222 PolarHBondContact O-N 3.5Å; V219-A222 PolarHBondContact O-N 2.75Å; A222-K224 VanDerWaalsContact C-N 3.35Å; A222-K224 PolarHBondContact O-N 3.1Å; A222-L225 PolarHBondContact O-N 2.98Å; A222-L226 WeakPolarHBondContact O-CG 3.39Å; A222-L226 PolarHBondContact O-N 2.9Å |
| 223 | L | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.5 | -40.9 | 174 | -72.7 | 175 | 0 | 0 | 0 | 112.3 | V219 L226 L227 L259 I262 L273 L280 | V219-L223 HydrophobicContact CG1-CD1 4.03Å; V219-L223 HydrophobicContact CG1-CG 4.36Å; V219-L223 WeakPolarHBondContact O-CB 3.44Å; V219-L223 WeakPolarHBondContact O-CG 3.4Å; V219-L223 PolarHBondContact O-N 2.82Å; L223-L226 PolarHBondContact O-N 3.48Å; L223-L227 WeakPolarHBondContact O-CB 3.24Å; L223-L227 WeakPolarHBondContact O-CG 3.21Å; L223-L227 PolarHBondContact O-N 2.69Å; L223-L259 HydrophobicContact CD2-CD2 3.78Å; L223-I262 HydrophobicContact CD1-CD1 4.28Å; L223-L273 HydrophobicContact CD1-CD2 3.99Å; L223-L280 HydrophobicContact CD2-CD2 4.08Å |
| 224 | K | 93.8 | Very high | 91.1 | Very high | 22 Ų | 22 | 40.4 Ų | 40.4 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 175 | -76 | -175.9 | 176.5 | -176.2 | 0 | 111.9 | K220 T221 A222 L227 V228 Y276 D1135 V1138 | K220-K224 VanDerWaalsContact O-CG 3.3Å; K220-K224 WeakPolarHBondContact O-CG 3.38Å; K220-K224 PolarHBondContact O-N 2.78Å; K220-K224 VanDerWaalsContact O-N 3.17Å; T221-K224 WeakPolarHBondContact O-CB 3.49Å; T221-K224 PolarHBondContact O-N 3.09Å; A222-K224 VanDerWaalsContact C-N 3.35Å; A222-K224 PolarHBondContact O-N 3.1Å; K224-L227 PolarHBondContact O-N 3.41Å; K224-V228 WeakPolarHBondContact O-CG2 3.42Å; K224-V228 PolarHBondContact O-N 2.66Å; K224-Y276 HydrophobicContact CD-CE2 4.46Å; K224-Y276 VanDerWaalsContact CE-OH 3.24Å; K224-Y276 WeakPolarHBondContact CE-OH 3.46Å; K224-Y276 HydrophobicContact CG-CD2 4.42Å; K224-Y276 HydrophobicContact CG-CE2 4.05Å; K224-D1135 VanDerWaalsContact NZ-CG 3.27Å; K224-D1135 IonicContact NZ-OD1 2.67Å; K224-D1135 PolarHBondContact NZ-OD1 3.5Å; K224-D1135 IonicContact NZ-OD2 3.43Å; K224-D1135 PolarHBondContact NZ-OD2 3.02Å; K224-V1138 HydrophobicContact CB-CG2 3.83Å; K224-V1138 HydrophobicContact CD-CG2 4.32Å; K224-V1138 HydrophobicContact CG-CB 4.48Å; K224-V1138 HydrophobicContact CG-CG1 4.12Å; K224-V1138 HydrophobicContact CG-CG2 3.79Å |
| 225 | L | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.1 | -42.5 | 177 | -63 | -174.8 | 0 | 0 | 0 | 112.2 | L181 L184 M188 L207 T221 A222 L227 V228 F229 M1134 | L181-L225 HydrophobicContact CB-CD1 4.47Å; L181-L225 HydrophobicContact CD2-CD1 3.83Å; L184-L225 HydrophobicContact CB-CD1 4.36Å; L184-L225 HydrophobicContact CD2-CD1 4.02Å; L184-L225 HydrophobicContact CG-CD1 4.11Å; M188-L225 HydrophobicContact CE-CB 4.28Å; M188-L225 WeakPolarHBondContact CE-O 3.29Å; M188-L225 HydrophobicContact SD-CB 4.13Å; M188-L225 HydrophobicContact SD-CD1 4.36Å; M188-L225 HydrophobicContact SD-CD2 4.05Å; M188-L225 HydrophobicContact SD-CG 4.4Å; L207-L225 HydrophobicContact CD1-CB 4.2Å; L207-L225 HydrophobicContact CD2-CB 4.19Å; L207-L225 HydrophobicContact CD2-CD1 3.83Å; T221-L225 WeakPolarHBondContact O-CG 3.37Å; T221-L225 PolarHBondContact O-N 2.75Å; A222-L225 PolarHBondContact O-N 2.98Å; L225-L227 VanDerWaalsContact C-N 3.33Å; L225-L227 PolarHBondContact O-N 3.11Å; L225-V228 PolarHBondContact O-N 2.91Å; L225-F229 WeakPolarHBondContact O-CB 3.33Å; L225-F229 PolarHBondContact O-N 2.98Å; L225-M1134 HydrophobicContact CD2-CE 3.57Å; L225-M1134 HydrophobicContact CD2-SD 3.64Å |
| 226 | L | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.5 | -36.9 | 176.1 | -70.1 | 172.3 | 0 | 0 | 0 | 112.4 | I204 L207 A222 L223 F229 V230 F240 L280 | I204-L226 HydrophobicContact CG2-CD2 4.29Å; L207-L226 HydrophobicContact CB-CD1 4.34Å; L207-L226 HydrophobicContact CB-CD2 3.78Å; L207-L226 HydrophobicContact CB-CG 4.01Å; L207-L226 HydrophobicContact CD1-CD2 4.18Å; A222-L226 WeakPolarHBondContact O-CG 3.39Å; A222-L226 PolarHBondContact O-N 2.9Å; L223-L226 PolarHBondContact O-N 3.48Å; L226-F229 PolarHBondContact O-N 3.47Å; L226-V230 WeakPolarHBondContact O-CG2 3.38Å; L226-V230 PolarHBondContact O-N 2.99Å; L226-F240 HydrophobicContact CD1-CE2 3.93Å; L226-F240 HydrophobicContact CD1-CZ 4.29Å; L226-F240 HydrophobicContact CD2-CD2 3.92Å; L226-F240 HydrophobicContact CD2-CE2 3.77Å; L226-F240 HydrophobicContact CG-CE2 4.35Å; L226-L280 HydrophobicContact CB-CD1 4.15Å; L226-L280 HydrophobicContact CB-CD2 3.78Å; L226-L280 HydrophobicContact CD1-CD2 4.19Å |
| 227 | L | 94 | Very high | 91.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -47.5 | 172.3 | -79 | 167.6 | 0 | 0 | 0 | 112.1 | L223 K224 L225 F229 V230 E231 Y276 T279 L280 V1138 V1141 | L223-L227 WeakPolarHBondContact O-CB 3.24Å; L223-L227 WeakPolarHBondContact O-CG 3.21Å; L223-L227 PolarHBondContact O-N 2.69Å; K224-L227 PolarHBondContact O-N 3.41Å; L225-L227 VanDerWaalsContact C-N 3.33Å; L225-L227 PolarHBondContact O-N 3.11Å; L227-F229 VanDerWaalsContact C-N 3.31Å; L227-F229 PolarHBondContact O-N 2.75Å; L227-V230 PolarHBondContact O-N 3.24Å; L227-E231 WeakPolarHBondContact O-CB 3.47Å; L227-E231 PolarHBondContact O-N 2.92Å; L227-Y276 HydrophobicContact CD1-CD1 3.89Å; L227-Y276 HydrophobicContact CD1-CG 3.99Å; L227-T279 HydrophobicContact CD2-CG2 3.87Å; L227-L280 HydrophobicContact CD2-CB 3.78Å; L227-L280 HydrophobicContact CD2-CD1 4.16Å; L227-L280 HydrophobicContact CG-CB 4.25Å; L227-L280 HydrophobicContact CG-CD1 4.39Å; L227-V1138 HydrophobicContact CD1-CG1 4.28Å; L227-V1141 HydrophobicContact CD2-CG1 4.08Å |
| 228 | V | 92.9 | Very high | 91.7 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 9% | 0.085 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.6 | -37 | 177.4 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | M194 K224 L225 Y232 L1137 V1138 | M194-V228 HydrophobicContact CE-CG1 3.93Å; K224-V228 WeakPolarHBondContact O-CG2 3.42Å; K224-V228 PolarHBondContact O-N 2.66Å; L225-V228 PolarHBondContact O-N 2.91Å; V228-Y232 WeakPolarHBondContact O-CB 3.37Å; V228-Y232 PolarHBondContact O-N 2.89Å; V228-Y232 VanDerWaalsContact O-N 3.1Å; V228-L1137 HydrophobicContact CG1-CD1 4.5Å; V228-L1137 HydrophobicContact CG2-CB 4.24Å; V228-V1138 HydrophobicContact CG2-CG2 4.05Å |
| 229 | F | 94.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.7 | -48 | 174.9 | 179.6 | -101.6 | 0 | 0 | 0 | 112.7 | M188 M194 V197 V198 I204 L225 L226 L227 N236 L239 F240 | M188-F229 HydrophobicContact CE-CB 3.91Å; M194-F229 HydrophobicContact SD-CD2 3.97Å; V197-F229 HydrophobicContact CG1-CD2 3.95Å; V197-F229 HydrophobicContact CG1-CE2 4.07Å; V198-F229 HydrophobicContact CB-CE2 4.35Å; V198-F229 HydrophobicContact CG2-CD2 4.39Å; V198-F229 HydrophobicContact CG2-CE2 3.59Å; V198-F229 HydrophobicContact CG2-CZ 4.27Å; I204-F229 HydrophobicContact CD1-CE1 3.83Å; I204-F229 HydrophobicContact CD1-CE2 3.97Å; I204-F229 HydrophobicContact CD1-CZ 3.32Å; I204-F229 HydrophobicContact CG1-CE1 4.24Å; I204-F229 HydrophobicContact CG1-CE2 4.24Å; I204-F229 HydrophobicContact CG1-CZ 3.93Å; I204-F229 HydrophobicContact CG2-CE1 4.27Å; L225-F229 WeakPolarHBondContact O-CB 3.33Å; L225-F229 PolarHBondContact O-N 2.98Å; L226-F229 PolarHBondContact O-N 3.47Å; L227-F229 VanDerWaalsContact C-N 3.31Å; L227-F229 PolarHBondContact O-N 2.75Å; F229-N236 HydrophobicContact CD1-CB 4.06Å; F229-N236 HydrophobicContact CE1-CB 3.66Å; F229-N236 HydrophobicContact CE2-CB 4.39Å; F229-N236 HydrophobicContact CZ-CB 3.83Å; F229-N236 VanDerWaalsContact O-CB 3.32Å; F229-N236 WeakPolarHBondContact O-CB 3.4Å; F229-N236 PolarHBondContact O-ND2 3.25Å; F229-L239 HydrophobicContact CZ-CB 4.37Å; F229-F240 HydrophobicContact CE1-CB 4.32Å |
| 230 | V | 92.3 | Very high | 91.9 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.036 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.9 | -31.8 | -179.4 | 174.4 | 0 | 0 | 0 | 0 | 112 | L226 L227 A237 F240 L280 K283 | L226-V230 WeakPolarHBondContact O-CG2 3.38Å; L226-V230 PolarHBondContact O-N 2.99Å; L227-V230 PolarHBondContact O-N 3.24Å; V230-A237 HydrophobicContact CG1-CB 4.43Å; V230-F240 HydrophobicContact CG2-CB 4.13Å; V230-F240 HydrophobicContact CG2-CD1 3.93Å; V230-F240 HydrophobicContact CG2-CG 4.18Å; V230-L280 HydrophobicContact CB-CD1 4.26Å; V230-L280 HydrophobicContact CG2-CD1 3.9Å; V230-K283 HydrophobicContact CG1-CB 4.17Å |
| 231 | E | 89.4 | Confident | 92 | Very high | 83 Ų | 83 | 31.8 Ų | 31.8 | 39% | 0.388 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -70.8 | -33.5 | 175.6 | -166.4 | 76.1 | 166.5 | 0 | 0 | 112.8 | L227 S233 K283 V1141 | L227-E231 WeakPolarHBondContact O-CB 3.47Å; L227-E231 PolarHBondContact O-N 2.92Å; E231-S233 VanDerWaalsContact C-N 3.27Å; E231-S233 PolarHBondContact O-N 2.95Å; E231-K283 IonicContact OE1-NZ 2.8Å; E231-K283 PolarHBondContact OE1-NZ 3.23Å; E231-K283 VanDerWaalsContact OE2-CD 3.24Å; E231-K283 WeakPolarHBondContact OE2-CD 3.39Å; E231-K283 VanDerWaalsContact OE2-CE 3.26Å; E231-K283 WeakPolarHBondContact OE2-CE 3.35Å; E231-K283 IonicContact OE2-NZ 3.81Å; E231-K283 PolarHBondContact OE2-NZ 3.34Å; E231-V1141 HydrophobicContact CB-CG2 3.89Å; E231-V1141 HydrophobicContact CG-CG2 3.57Å |
| 232 | Y | 89.2 | Confident | 92.1 | Very high | 105 Ų | 105 | 39.4 Ų | 39.4 | 41% | 0.412 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.3 | -34.3 | -173.3 | 179.1 | -98.4 | 0 | 0 | 0 | 113.9 | M194 V228 | M194-Y232 HydrophobicContact CB-CE1 4.44Å; M194-Y232 HydrophobicContact CB-CE2 4.35Å; M194-Y232 HydrophobicContact CE-CD2 4.28Å; M194-Y232 HydrophobicContact CE-CG 4.14Å; M194-Y232 HydrophobicContact CG-CD1 3.45Å; M194-Y232 VanDerWaalsContact CG-CD1 3.45Å; M194-Y232 HydrophobicContact CG-CD2 3.79Å; M194-Y232 HydrophobicContact CG-CE1 3.49Å; M194-Y232 VanDerWaalsContact CG-CE1 3.49Å; M194-Y232 HydrophobicContact CG-CE2 3.82Å; M194-Y232 HydrophobicContact CG-CG 3.59Å; M194-Y232 HydrophobicContact SD-CD1 4.19Å; M194-Y232 HydrophobicContact SD-CG 4.11Å; V228-Y232 WeakPolarHBondContact O-CB 3.37Å; V228-Y232 PolarHBondContact O-N 2.89Å; V228-Y232 VanDerWaalsContact O-N 3.1Å |
| 233 | S | 86.9 | Confident | 92.1 | Very high | 39 Ų | 39 | 39.4 Ų | 39.4 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | trans | -158.7 | 137.6 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 111 | E231 N235 N236 | E231-S233 VanDerWaalsContact C-N 3.27Å; E231-S233 PolarHBondContact O-N 2.95Å; S233-N235 PolarHBondContact O-N 3.32Å; S233-N235 VanDerWaalsContact O-N 3.14Å; S233-N235 PolarHBondContact OG-N 3.35Å; S233-N236 VanDerWaalsContact O-CB 3.25Å; S233-N236 WeakPolarHBondContact O-CB 3.4Å; S233-N236 PolarHBondContact O-N 2.85Å | ||
| 234 | E | 82.5 | Confident | 92.1 | Very high | 101 Ų | 101 | 39.4 Ų | 39.4 | 47% | 0.472 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.7 | 176.7 | -58.5 | 177.6 | -170.4 | 0 | 0 | 112.1 | N236 A237 A287 R1152 | E234-N236 PolarHBondContact O-N 3.13Å; E234-A237 PolarHBondContact O-N 3.33Å; E234-A287 HydrophobicContact CB-CB 4.45Å; E234-R1152 VanDerWaalsContact CD-NH1 3.25Å; E234-R1152 IonicContact OE1-CZ 3.15Å; E234-R1152 IonicContact OE1-NH1 3.52Å; E234-R1152 PolarHBondContact OE1-NH1 3.35Å; E234-R1152 IonicContact OE1-NH2 2.79Å; E234-R1152 PolarHBondContact OE1-NH2 2.78Å; E234-R1152 IonicContact OE2-CZ 2.97Å; E234-R1152 IonicContact OE2-NH1 3.52Å; E234-R1152 PolarHBondContact OE2-NH1 3.26Å; E234-R1152 IonicContact OE2-NH2 2.67Å; E234-R1152 PolarHBondContact OE2-NH2 2.75Å |
| 235 | N | 87.4 | Confident | 92.2 | Very high | 123 Ų | 123 | 41.7 Ų | 41.7 | 66% | 0.658 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -13.3 | 175.4 | -65.1 | -30.1 | 0 | 0 | 0 | 113.7 | S233 P238 | S233-N235 PolarHBondContact O-N 3.32Å; S233-N235 VanDerWaalsContact O-N 3.14Å; S233-N235 PolarHBondContact OG-N 3.35Å; N235-P238 WeakPolarHBondContact O-CD 3.24Å; N235-P238 WeakPolarHBondContact O-CG 3.5Å |
| 236 | N | 92.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -81 | -23.9 | 179.8 | -67.9 | 1.7 | 0 | 0 | 0 | 112.4 | F229 S233 E234 L239 F240 | F229-N236 HydrophobicContact CD1-CB 4.06Å; F229-N236 HydrophobicContact CE1-CB 3.66Å; F229-N236 HydrophobicContact CE2-CB 4.39Å; F229-N236 HydrophobicContact CZ-CB 3.83Å; F229-N236 VanDerWaalsContact O-CB 3.32Å; F229-N236 WeakPolarHBondContact O-CB 3.4Å; F229-N236 PolarHBondContact O-ND2 3.25Å; S233-N236 VanDerWaalsContact O-CB 3.25Å; S233-N236 WeakPolarHBondContact O-CB 3.4Å; S233-N236 PolarHBondContact O-N 2.85Å; E234-N236 PolarHBondContact O-N 3.13Å; N236-L239 WeakPolarHBondContact O-CB 2.94Å; N236-L239 PolarHBondContact O-N 3.3Å; N236-F240 PolarHBondContact O-N 3.37Å |
| 237 | A | 92.1 | Very high | 92 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.8 | -50.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V230 E234 L239 F240 I241 T284 A287 | V230-A237 HydrophobicContact CG1-CB 4.43Å; E234-A237 PolarHBondContact O-N 3.33Å; A237-L239 VanDerWaalsContact C-N 3.29Å; A237-L239 PolarHBondContact O-N 2.78Å; A237-F240 PolarHBondContact O-N 2.91Å; A237-I241 WeakPolarHBondContact O-CG1 3.21Å; A237-I241 PolarHBondContact O-N 3.45Å; A237-T284 HydrophobicContact CB-CG2 4.05Å; A237-A287 HydrophobicContact CB-CB 3.52Å |
| 238 | P | 91.4 | Very high | 92 | Very high | 67 Ų | 67 | 44.6 Ų | 44.6 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.7 | -28 | 175.2 | 24.8 | -34.6 | 0 | 0 | 0 | 113.6 | N235 R242 | N235-P238 WeakPolarHBondContact O-CD 3.24Å; N235-P238 WeakPolarHBondContact O-CG 3.5Å; P238-R242 WeakPolarHBondContact O-CB 3.16Å; P238-R242 PolarHBondContact O-N 3.12Å |
| 239 | L | 93.3 | Very high | 92 | Very high | 59 Ų | 59 | 48.9 Ų | 48.9 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 172.6 | -61.1 | 177.6 | 0 | 0 | 0 | 111.3 | V198 I204 F229 N236 A237 R242 A243 | V198-L239 HydrophobicContact CG1-CD1 3.81Å; I204-L239 HydrophobicContact CD1-CB 4.34Å; F229-L239 HydrophobicContact CZ-CB 4.37Å; N236-L239 WeakPolarHBondContact O-CB 2.94Å; N236-L239 PolarHBondContact O-N 3.3Å; A237-L239 VanDerWaalsContact C-N 3.29Å; A237-L239 PolarHBondContact O-N 2.78Å; L239-R242 PolarHBondContact O-N 3.46Å; L239-A243 PolarHBondContact O-N 2.98Å |
| 240 | F | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 173.4 | 177.4 | -128.6 | 0 | 0 | 0 | 112 | I204 Y208 L226 F229 V230 N236 A237 R242 A243 V244 W256 L280 T284 | I204-F240 HydrophobicContact CG2-CB 4.5Å; I204-F240 HydrophobicContact CG2-CD2 3.96Å; Y208-F240 HydrophobicContact CD2-CE2 4.19Å; Y208-F240 HydrophobicContact CD2-CZ 4.39Å; L226-F240 HydrophobicContact CD1-CE2 3.93Å; L226-F240 HydrophobicContact CD1-CZ 4.29Å; L226-F240 HydrophobicContact CD2-CD2 3.92Å; L226-F240 HydrophobicContact CD2-CE2 3.77Å; L226-F240 HydrophobicContact CG-CE2 4.35Å; F229-F240 HydrophobicContact CE1-CB 4.32Å; V230-F240 HydrophobicContact CG2-CB 4.13Å; V230-F240 HydrophobicContact CG2-CD1 3.93Å; V230-F240 HydrophobicContact CG2-CG 4.18Å; N236-F240 PolarHBondContact O-N 3.37Å; A237-F240 PolarHBondContact O-N 2.91Å; F240-R242 VanDerWaalsContact C-N 3.32Å; F240-R242 PolarHBondContact O-N 3.21Å; F240-A243 WeakPolarHBondContact O-CB 3.2Å; F240-A243 PolarHBondContact O-N 2.73Å; F240-A243 VanDerWaalsContact O-N 3.11Å; F240-V244 HydrophobicContact CD2-CG2 4.16Å; F240-V244 HydrophobicContact CE1-CG2 4.4Å; F240-V244 HydrophobicContact CE2-CG2 3.77Å; F240-V244 HydrophobicContact CZ-CG2 3.9Å; F240-V244 WeakPolarHBondContact O-CG2 3.27Å; F240-V244 PolarHBondContact O-N 3.47Å; F240-W256 HydrophobicContact CD1-CH2 4.25Å; F240-W256 HydrophobicContact CD1-CZ3 4.48Å; F240-W256 AromaticContact CE1-CH2 3.84Å; F240-W256 HydrophobicContact CE1-CH2 3.84Å; F240-W256 AromaticContact CE1-CZ3 3.65Å; F240-W256 HydrophobicContact CE1-CZ3 3.65Å; F240-W256 HydrophobicContact CZ-CZ3 4.06Å; F240-L280 HydrophobicContact CE1-CD1 4.02Å; F240-L280 HydrophobicContact CE1-CD2 4.05Å; F240-L280 HydrophobicContact CE1-CG 3.9Å; F240-L280 HydrophobicContact CZ-CD1 4.48Å; F240-L280 HydrophobicContact CZ-CD2 3.82Å; F240-L280 HydrophobicContact CZ-CG 4.21Å; F240-T284 HydrophobicContact CD1-CG2 4.15Å |
| 241 | I | 93.9 | Very high | 91.6 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 174.8 | -65.2 | 162.8 | 0 | 0 | 0 | 111.2 | A237 A243 V244 N245 W256 T284 L288 V297 | A237-I241 WeakPolarHBondContact O-CG1 3.21Å; A237-I241 PolarHBondContact O-N 3.45Å; I241-A243 VanDerWaalsContact C-N 3.33Å; I241-A243 PolarHBondContact O-N 3.13Å; I241-V244 PolarHBondContact O-N 3.44Å; I241-N245 WeakPolarHBondContact O-CB 3.04Å; I241-N245 PolarHBondContact O-N 2.92Å; I241-W256 HydrophobicContact CG1-CH2 4.38Å; I241-W256 HydrophobicContact CG1-CZ2 4.06Å; I241-T284 HydrophobicContact CD1-CG2 3.84Å; I241-T284 HydrophobicContact CG1-CG2 3.78Å; I241-L288 HydrophobicContact CD1-CD1 4.25Å; I241-L288 HydrophobicContact CD1-CD2 3.72Å; I241-L288 HydrophobicContact CD1-CG 4.37Å; I241-V297 HydrophobicContact CD1-CG2 3.8Å; I241-V297 HydrophobicContact CG1-CG2 4.19Å; I241-V297 HydrophobicContact CG2-CG2 4.38Å |
| 242 | R | 93.7 | Very high | 91.6 | Very high | 178 Ų | 178 | 57.7 Ų | 57.7 | 67% | 0.672 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61 | -40.9 | 174.9 | -176 | 178.2 | 176 | -173.8 | -2.9 | 111.9 | P238 L239 F240 N245 S246 | P238-R242 WeakPolarHBondContact O-CB 3.16Å; P238-R242 PolarHBondContact O-N 3.12Å; L239-R242 PolarHBondContact O-N 3.46Å; F240-R242 VanDerWaalsContact C-N 3.32Å; F240-R242 PolarHBondContact O-N 3.21Å; R242-N245 PolarHBondContact O-N 3.29Å; R242-S246 WeakPolarHBondContact O-CB 3.5Å; R242-S246 PolarHBondContact O-N 2.96Å |
| 243 | A | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I204 Q205 L239 F240 I241 S246 V247 | I204-A243 HydrophobicContact CB-CB 3.9Å; I204-A243 HydrophobicContact CG2-CB 3.56Å; Q205-A243 HydrophobicContact CG-CB 3.66Å; L239-A243 PolarHBondContact O-N 2.98Å; F240-A243 WeakPolarHBondContact O-CB 3.2Å; F240-A243 PolarHBondContact O-N 2.73Å; F240-A243 VanDerWaalsContact O-N 3.11Å; I241-A243 VanDerWaalsContact C-N 3.33Å; I241-A243 PolarHBondContact O-N 3.13Å; A243-S246 PolarHBondContact O-N 3.46Å; A243-V247 WeakPolarHBondContact O-CG2 3.42Å; A243-V247 PolarHBondContact O-N 3.28Å |
| 244 | V | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.9 | -48.8 | 174.2 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | Y208 F240 I241 S246 V247 A248 P255 W256 | Y208-V244 HydrophobicContact CD1-CG2 4.3Å; Y208-V244 HydrophobicContact CD2-CG2 3.76Å; Y208-V244 HydrophobicContact CE1-CB 4.4Å; Y208-V244 HydrophobicContact CE1-CG1 4.18Å; Y208-V244 HydrophobicContact CE1-CG2 4.37Å; Y208-V244 HydrophobicContact CE2-CG1 4.26Å; Y208-V244 HydrophobicContact CE2-CG2 3.81Å; Y208-V244 HydrophobicContact CG-CG2 4.01Å; F240-V244 HydrophobicContact CD2-CG2 4.16Å; F240-V244 HydrophobicContact CE1-CG2 4.4Å; F240-V244 HydrophobicContact CE2-CG2 3.77Å; F240-V244 HydrophobicContact CZ-CG2 3.9Å; F240-V244 WeakPolarHBondContact O-CG2 3.27Å; F240-V244 PolarHBondContact O-N 3.47Å; I241-V244 PolarHBondContact O-N 3.44Å; V244-S246 VanDerWaalsContact C-N 3.34Å; V244-S246 PolarHBondContact O-N 2.98Å; V244-V247 PolarHBondContact O-N 2.97Å; V244-A248 VanDerWaalsContact O-CB 3.3Å; V244-A248 WeakPolarHBondContact O-CB 3.32Å; V244-A248 PolarHBondContact O-N 3.18Å; V244-P255 HydrophobicContact CG1-CB 4.11Å; V244-W256 HydrophobicContact CG1-CD2 3.97Å; V244-W256 HydrophobicContact CG1-CE3 4.34Å; V244-W256 HydrophobicContact CG1-CG 4.17Å; V244-W256 HydrophobicContact CG2-CE3 4.34Å; V244-W256 HydrophobicContact CG2-CH2 4.31Å; V244-W256 HydrophobicContact CG2-CZ3 4.16Å |
| 245 | N | 94.2 | Very high | 92.1 | Very high | 71 Ų | 71 | 53 Ų | 53 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.6 | -33 | -179.5 | -69.8 | -13.5 | 0 | 0 | 0 | 112.6 | I241 R242 S249 P255 | I241-N245 WeakPolarHBondContact O-CB 3.04Å; I241-N245 PolarHBondContact O-N 2.92Å; R242-N245 PolarHBondContact O-N 3.29Å; N245-S249 WeakPolarHBondContact O-CB 3.32Å; N245-S249 PolarHBondContact O-N 3.12Å; N245-S249 PolarHBondContact O-OG 3.36Å; N245-P255 VanDerWaalsContact OD1-CB 3.3Å; N245-P255 WeakPolarHBondContact OD1-CB 3.48Å |
| 246 | S | 94.6 | Very high | 92.4 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 31% | 0.308 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -54.5 | 173.7 | -168.4 | 0 | 0 | 0 | 0 | 111 | Q205 R242 A243 V244 A248 S249 T250 | Q205-S246 PolarHBondContact OE1-OG 2.77Å; R242-S246 WeakPolarHBondContact O-CB 3.5Å; R242-S246 PolarHBondContact O-N 2.96Å; A243-S246 PolarHBondContact O-N 3.46Å; V244-S246 VanDerWaalsContact C-N 3.34Å; V244-S246 PolarHBondContact O-N 2.98Å; S246-A248 VanDerWaalsContact C-N 3.31Å; S246-A248 PolarHBondContact O-N 2.8Å; S246-S249 WeakPolarHBondContact O-CA 3.49Å; S246-S249 WeakPolarHBondContact O-CB 3.33Å; S246-S249 PolarHBondContact O-N 3.14Å; S246-T250 PolarHBondContact O-N 3.24Å; S246-T250 PolarHBondContact O-OG1 3.2Å; S246-T250 VanDerWaalsContact O-OG1 3.1Å |
| 247 | V | 93.2 | Very high | 92.4 | Very high | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 179.2 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | Q205 Y208 A243 V244 T250 T251 | Q205-V247 HydrophobicContact CB-CG2 3.71Å; Q205-V247 HydrophobicContact CG-CG2 4.04Å; Y208-V247 HydrophobicContact CD1-CB 3.74Å; Y208-V247 HydrophobicContact CD1-CG1 3.81Å; Y208-V247 HydrophobicContact CD1-CG2 4.03Å; Y208-V247 HydrophobicContact CE1-CB 3.97Å; Y208-V247 HydrophobicContact CE1-CG1 3.88Å; A243-V247 WeakPolarHBondContact O-CG2 3.42Å; A243-V247 PolarHBondContact O-N 3.28Å; V244-V247 PolarHBondContact O-N 2.97Å; V247-T250 PolarHBondContact O-N 3.26Å; V247-T251 HydrophobicContact CG1-CG2 4.17Å; V247-T251 WeakPolarHBondContact O-CB 3.03Å; V247-T251 WeakPolarHBondContact O-CG2 3.19Å; V247-T251 PolarHBondContact O-N 2.8Å; V247-T251 PolarHBondContact O-OG1 2.88Å |
| 248 | A | 92 | Very high | 92.4 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 7% | 0.066 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.5 | -48.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V244 S246 T250 T251 G252 A253 P255 | V244-A248 VanDerWaalsContact O-CB 3.3Å; V244-A248 WeakPolarHBondContact O-CB 3.32Å; V244-A248 PolarHBondContact O-N 3.18Å; S246-A248 VanDerWaalsContact C-N 3.31Å; S246-A248 PolarHBondContact O-N 2.8Å; A248-T250 PolarHBondContact O-N 3.37Å; A248-T251 PolarHBondContact O-N 3.32Å; A248-T251 PolarHBondContact O-OG1 3.44Å; A248-G252 PolarHBondContact O-N 2.86Å; A248-A253 WeakPolarHBondContact CB-O 3.43Å; A248-A253 PolarHBondContact O-N 2.93Å; A248-P255 HydrophobicContact CB-CB 4.07Å |
| 249 | S | 92.8 | Very high | 92.4 | Very high | 104 Ų | 104 | 45.9 Ų | 45.9 | 73% | 0.727 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63 | -38.1 | 177.5 | -55.5 | 0 | 0 | 0 | 0 | 112.8 | N245 S246 | N245-S249 WeakPolarHBondContact O-CB 3.32Å; N245-S249 PolarHBondContact O-N 3.12Å; N245-S249 PolarHBondContact O-OG 3.36Å; S246-S249 WeakPolarHBondContact O-CA 3.49Å; S246-S249 WeakPolarHBondContact O-CB 3.33Å; S246-S249 PolarHBondContact O-N 3.14Å |
| 250 | T | 90.8 | Very high | 92.3 | Very high | 117 Ų | 117 | 43.4 Ų | 43.4 | 72% | 0.718 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -73.3 | -34 | 177.7 | -50.6 | 0 | 0 | 0 | 0 | 113.1 | S246 V247 A248 | S246-T250 PolarHBondContact O-N 3.24Å; S246-T250 PolarHBondContact O-OG1 3.2Å; S246-T250 VanDerWaalsContact O-OG1 3.1Å; V247-T250 PolarHBondContact O-N 3.26Å; A248-T250 PolarHBondContact O-N 3.37Å |
| 251 | T | 89.4 | Confident | 92 | Very high | 86 Ų | 86 | 47 Ų | 47 | 53% | 0.528 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -91.1 | -17.3 | -177.3 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | V247 A248 A253 | V247-T251 HydrophobicContact CG1-CG2 4.17Å; V247-T251 WeakPolarHBondContact O-CB 3.03Å; V247-T251 WeakPolarHBondContact O-CG2 3.19Å; V247-T251 PolarHBondContact O-N 2.8Å; V247-T251 PolarHBondContact O-OG1 2.88Å; A248-T251 PolarHBondContact O-N 3.32Å; A248-T251 PolarHBondContact O-OG1 3.44Å; T251-A253 PolarHBondContact O-N 3.06Å; T251-A253 PolarHBondContact OG1-N 2.86Å |
| 252 | G | 88.1 | Confident | 91.8 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 75% | 0.753 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 8.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114 | A248 | A248-G252 PolarHBondContact O-N 2.86Š|
| 253 | A | 89.5 | Confident | 91.4 | Very high | 35 Ų | 35 | 38.4 Ų | 38.4 | 29% | 0.289 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -86.2 | 155.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A248 T251 A257 | A248-A253 WeakPolarHBondContact CB-O 3.43Å; A248-A253 PolarHBondContact O-N 2.93Å; T251-A253 PolarHBondContact O-N 3.06Å; T251-A253 PolarHBondContact OG1-N 2.86Å; A253-A257 HydrophobicContact CB-CB 4.19Å |
| 254 | P | 90.3 | Very high | 90.9 | Very high | 70 Ų | 70 | 42.5 Ų | 42.5 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -63 | 148.5 | 170.7 | 23.6 | -29.6 | 0 | 0 | 0 | 111.5 | A257 Q304 | P254-A257 HydrophobicContact CG-CB 4.16Å; P254-A257 VanDerWaalsContact O-CB 3.26Å; P254-A257 WeakPolarHBondContact O-CB 3.48Å; P254-A257 PolarHBondContact O-N 3.26Å; P254-Q304 HydrophobicContact CB-CG 4.15Å; P254-Q304 HydrophobicContact CG-CG 4.02Å |
| 255 | P | 90.1 | Very high | 90.1 | Very high | 40 Ų | 40 | 46.4 Ų | 46.4 | 26% | 0.26 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 140.8 | 175.5 | 27.1 | -34.6 | 0 | 0 | 0 | 110.1 | V244 N245 A248 A257 A300 Q304 | V244-P255 HydrophobicContact CG1-CB 4.11Å; N245-P255 VanDerWaalsContact OD1-CB 3.3Å; N245-P255 WeakPolarHBondContact OD1-CB 3.48Å; A248-P255 HydrophobicContact CB-CB 4.07Å; P255-A257 VanDerWaalsContact C-N 3.34Å; P255-A300 HydrophobicContact CG-CB 4.21Å; P255-Q304 PolarHBondContact O-NE2 3.47Å; P255-Q304 PolarHBondContact O-OE1 3.49Å |
| 256 | W | 93.4 | Very high | 88.3 | Confident | 3 Ų | 3 | 50 Ų | 50 | 1% | 0.011 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -3.1 | -172.4 | -49.7 | 98.1 | 0 | 0 | 0 | 117.7 | Y208 F240 I241 V244 N258 L259 V260 T284 V297 L301 | Y208-W256 VanDerWaalsContact OH-C 3.3Å; Y208-W256 VanDerWaalsContact OH-CA 3.24Å; Y208-W256 WeakPolarHBondContact OH-CA 3.46Å; Y208-W256 PolarHBondContact OH-N 3.41Å; F240-W256 HydrophobicContact CD1-CH2 4.25Å; F240-W256 HydrophobicContact CD1-CZ3 4.48Å; F240-W256 AromaticContact CE1-CH2 3.84Å; F240-W256 HydrophobicContact CE1-CH2 3.84Å; F240-W256 AromaticContact CE1-CZ3 3.65Å; F240-W256 HydrophobicContact CE1-CZ3 3.65Å; F240-W256 HydrophobicContact CZ-CZ3 4.06Å; I241-W256 HydrophobicContact CG1-CH2 4.38Å; I241-W256 HydrophobicContact CG1-CZ2 4.06Å; V244-W256 HydrophobicContact CG1-CD2 3.97Å; V244-W256 HydrophobicContact CG1-CE3 4.34Å; V244-W256 HydrophobicContact CG1-CG 4.17Å; V244-W256 HydrophobicContact CG2-CE3 4.34Å; V244-W256 HydrophobicContact CG2-CH2 4.31Å; V244-W256 HydrophobicContact CG2-CZ3 4.16Å; W256-N258 PolarHBondContact O-N 3.47Å; W256-L259 HydrophobicContact CE3-CD1 3.85Å; W256-L259 HydrophobicContact CE3-CG 4.43Å; W256-L259 HydrophobicContact CZ3-CD1 3.96Å; W256-L259 PolarHBondContact O-N 2.73Å; W256-V260 HydrophobicContact CB-CG2 4.47Å; W256-V260 PolarHBondContact O-N 3.44Å; W256-T284 HydrophobicContact CH2-CG2 4.17Å; W256-V297 HydrophobicContact CH2-CG1 4.46Å; W256-V297 HydrophobicContact CZ2-CG1 3.58Å; W256-V297 HydrophobicContact CZ2-CG2 4.24Å; W256-L301 HydrophobicContact CB-CD2 3.47Å; W256-L301 VanDerWaalsContact CB-CD2 3.47Å; W256-L301 HydrophobicContact CD2-CD2 4.09Å; W256-L301 HydrophobicContact CG-CD2 3.57Å; W256-L301 HydrophobicContact CG-CG 4.23Å |
| 257 | A | 91.5 | Very high | 86 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -49.3 | -38.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y208 A253 P254 P255 L259 V260 S261 Q304 | Y208-A257 PolarHBondContact OH-N 3.03Å; A253-A257 HydrophobicContact CB-CB 4.19Å; P254-A257 HydrophobicContact CG-CB 4.16Å; P254-A257 VanDerWaalsContact O-CB 3.26Å; P254-A257 WeakPolarHBondContact O-CB 3.48Å; P254-A257 PolarHBondContact O-N 3.26Å; P255-A257 VanDerWaalsContact C-N 3.34Å; A257-L259 VanDerWaalsContact C-N 3.3Å; A257-L259 PolarHBondContact O-N 3.26Å; A257-V260 PolarHBondContact O-N 3.37Å; A257-S261 VanDerWaalsContact O-CB 3.28Å; A257-S261 WeakPolarHBondContact O-CB 3.41Å; A257-S261 PolarHBondContact O-N 3.4Å; A257-Q304 VanDerWaalsContact N-OE1 3.17Å |
| 258 | N | 92.1 | Very high | 84.1 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.1 | -35.4 | -179.7 | -60.4 | 1.5 | 0 | 0 | 0 | 111.9 | Y208 C211 A212 W256 I262 | Y208-N258 HydrophobicContact CE1-CB 4.43Å; Y208-N258 HydrophobicContact CE2-CB 3.84Å; Y208-N258 PolarHBondContact O-ND2 2.68Å; Y208-N258 PolarHBondContact OH-N 2.91Å; C211-N258 HydrophobicContact CB-CB 4.15Å; A212-N258 HydrophobicContact CB-CB 4.33Å; W256-N258 PolarHBondContact O-N 3.47Å; N258-I262 WeakPolarHBondContact O-CD1 3.38Å; N258-I262 WeakPolarHBondContact O-CG1 3.46Å |
| 259 | L | 92.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -80.3 | -39.7 | 176.5 | -63.6 | -161.4 | 0 | 0 | 0 | 111.7 | Y208 C211 L223 W256 A257 S261 I262 L263 T277 L280 I281 | Y208-L259 HydrophobicContact CE2-CG 4.25Å; C211-L259 HydrophobicContact CB-CD2 4.23Å; L223-L259 HydrophobicContact CD2-CD2 3.78Å; W256-L259 HydrophobicContact CE3-CD1 3.85Å; W256-L259 HydrophobicContact CE3-CG 4.43Å; W256-L259 HydrophobicContact CZ3-CD1 3.96Å; W256-L259 PolarHBondContact O-N 2.73Å; A257-L259 VanDerWaalsContact C-N 3.3Å; A257-L259 PolarHBondContact O-N 3.26Å; L259-S261 VanDerWaalsContact C-N 3.32Å; L259-S261 PolarHBondContact O-N 3.16Å; L259-I262 HydrophobicContact CD2-CD1 4.31Å; L259-I262 PolarHBondContact O-N 3.17Å; L259-L263 PolarHBondContact O-N 2.91Å; L259-T277 HydrophobicContact CB-CG2 3.76Å; L259-T277 HydrophobicContact CD1-CG2 4.36Å; L259-T277 HydrophobicContact CD2-CG2 4.23Å; L259-T277 HydrophobicContact CG-CG2 4.31Å; L259-L280 HydrophobicContact CD1-CD2 4.13Å; L259-I281 HydrophobicContact CD1-CD1 4.33Å; L259-I281 HydrophobicContact CD1-CG1 3.98Å |
| 260 | V | 90.7 | Very high | 82.1 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 177.4 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | W256 A257 I262 L263 E264 L301 Q304 M306 L309 | W256-V260 HydrophobicContact CB-CG2 4.47Å; W256-V260 PolarHBondContact O-N 3.44Å; A257-V260 PolarHBondContact O-N 3.37Å; V260-I262 VanDerWaalsContact C-N 3.3Å; V260-I262 PolarHBondContact O-N 3.18Å; V260-L263 CarbonylContact O-C 3.6Å; V260-L263 WeakPolarHBondContact O-CA 3.3Å; V260-L263 WeakPolarHBondContact O-CB 3.25Å; V260-L263 PolarHBondContact O-N 3.31Å; V260-E264 HydrophobicContact CG1-CG 4.31Å; V260-E264 WeakPolarHBondContact O-CG 3.45Å; V260-E264 PolarHBondContact O-N 2.87Å; V260-L301 HydrophobicContact CG2-CD2 4.22Å; V260-Q304 HydrophobicContact CG1-CB 4.15Å; V260-Q304 HydrophobicContact CG2-CB 4.13Å; V260-M306 HydrophobicContact CG2-CE 4.44Å; V260-L309 HydrophobicContact CG1-CD1 3.75Å |
| 261 | S | 89.7 | Confident | 81.7 | Confident | 75 Ų | 75 | 52.9 Ų | 52.9 | 52% | 0.524 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.7 | -41 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 113.2 | A257 L259 L263 E264 E265 | A257-S261 VanDerWaalsContact O-CB 3.28Å; A257-S261 WeakPolarHBondContact O-CB 3.41Å; A257-S261 PolarHBondContact O-N 3.4Å; L259-S261 VanDerWaalsContact C-N 3.32Å; L259-S261 PolarHBondContact O-N 3.16Å; S261-L263 VanDerWaalsContact C-N 3.29Å; S261-L263 PolarHBondContact O-N 3.19Å; S261-E264 PolarHBondContact O-N 3.45Å; S261-E265 PolarHBondContact O-N 3.45Å |
| 262 | I | 88.8 | Confident | 81.6 | Confident | 17 Ų | 17 | 53 Ų | 53 | 9% | 0.087 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.5 | -35.5 | 175.6 | -62.8 | 165.1 | 0 | 0 | 0 | 111.2 | C211 V219 L223 N258 L259 V260 L273 L274 | C211-I262 HydrophobicContact CB-CD1 4.31Å; V219-I262 HydrophobicContact CG1-CD1 3.67Å; V219-I262 HydrophobicContact CG1-CG1 4.37Å; L223-I262 HydrophobicContact CD1-CD1 4.28Å; N258-I262 WeakPolarHBondContact O-CD1 3.38Å; N258-I262 WeakPolarHBondContact O-CG1 3.46Å; L259-I262 HydrophobicContact CD2-CD1 4.31Å; L259-I262 PolarHBondContact O-N 3.17Å; V260-I262 VanDerWaalsContact C-N 3.3Å; V260-I262 PolarHBondContact O-N 3.18Å; I262-L273 HydrophobicContact CG2-CB 4.17Å; I262-L274 HydrophobicContact CG2-CD2 4.48Å; I262-L274 VanDerWaalsContact O-CD2 3.22Å; I262-L274 WeakPolarHBondContact O-CD2 3.41Å |
| 263 | L | 86.7 | Confident | 81.7 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -78.4 | -19.9 | 177.4 | -58.4 | 178.4 | 0 | 0 | 0 | 113.5 | L259 V260 S261 L274 T277 V278 I281 M306 L309 H313 | L259-L263 PolarHBondContact O-N 2.91Å; V260-L263 CarbonylContact O-C 3.6Å; V260-L263 WeakPolarHBondContact O-CA 3.3Å; V260-L263 WeakPolarHBondContact O-CB 3.25Å; V260-L263 PolarHBondContact O-N 3.31Å; S261-L263 VanDerWaalsContact C-N 3.29Å; S261-L263 PolarHBondContact O-N 3.19Å; L263-L274 HydrophobicContact CD2-CB 4.49Å; L263-L274 HydrophobicContact CD2-CD2 3.85Å; L263-T277 HydrophobicContact CD1-CG2 4.21Å; L263-T277 HydrophobicContact CD2-CG2 3.89Å; L263-T277 HydrophobicContact CG-CG2 3.88Å; L263-V278 HydrophobicContact CD1-CG2 4.27Å; L263-V278 HydrophobicContact CD2-CG2 3.75Å; L263-I281 HydrophobicContact CD1-CD1 4.48Å; L263-M306 HydrophobicContact CD1-CE 3.81Å; L263-M306 HydrophobicContact CD1-SD 4.05Å; L263-L309 HydrophobicContact CB-CD1 4.06Å; L263-H313 PolarHBondContact O-NE2 3.21Å |
| 264 | E | 84.6 | Confident | 81.7 | Confident | 87 Ų | 87 | 48.8 Ų | 48.8 | 41% | 0.407 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -75.9 | -33.1 | 177.8 | -67.8 | -140.8 | 103.3 | 0 | 0 | 113.6 | V260 S261 K266 L309 R312 | V260-E264 HydrophobicContact CG1-CG 4.31Å; V260-E264 WeakPolarHBondContact O-CG 3.45Å; V260-E264 PolarHBondContact O-N 2.87Å; S261-E264 PolarHBondContact O-N 3.45Å; E264-K266 WeakPolarHBondContact O-CA 3.45Å; E264-K266 WeakPolarHBondContact O-CG 3.46Å; E264-K266 PolarHBondContact O-N 2.97Å; E264-L309 HydrophobicContact CG-CD1 4.04Å; E264-L309 HydrophobicContact CG-CD2 4.1Å; E264-R312 PolarHBondContact O-NH1 3.25Å |
| 265 | E | 76.9 | Confident | 81.7 | Confident | 82 Ų | 82 | 45.9 Ų | 45.9 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | trans | -40.8 | 105.1 | -166.9 | -116.9 | -161.9 | 159 | 0 | 0 | 112.6 | R216 S261 N267 A269 | R216-E265 IonicContact CZ-OE1 3.3Å; R216-E265 IonicContact CZ-OE2 2.67Å; R216-E265 IonicContact NE-OE1 2.64Å; R216-E265 IonicContact NE-OE2 3.64Å; R216-E265 IonicContact NH2-OE1 3.85Å; R216-E265 PolarHBondContact NH2-OE1 3.41Å; R216-E265 IonicContact NH2-OE2 3.12Å; R216-E265 PolarHBondContact NH2-OE2 3.41Å; S261-E265 PolarHBondContact O-N 3.45Å; E265-N267 PolarHBondContact O-N 2.66Å; E265-A269 HydrophobicContact CB-CB 4.07Å; E265-A269 WeakPolarHBondContact OE2-CA 3.46Å | ||
| 266 | K | 56 | Low | 81.8 | Confident | 146 Ų | 146 | 44.7 Ų | 44.7 | 64% | 0.635 | 25% | 0.253 | S | S | * | . | trans | -76.1 | -21.9 | -156.3 | -66.1 | -169.6 | 176.2 | 172.4 | 0 | 115.3 | E264 R312 | E264-K266 WeakPolarHBondContact O-CA 3.45Å; E264-K266 WeakPolarHBondContact O-CG 3.46Å; E264-K266 PolarHBondContact O-N 2.97Å; K266-R312 PolarHBondContact O-NH2 2.93Å | ||
| 267 | N | 47.1 | Very low | 81.8 | Confident | 154 Ų | 154 | 44.6 Ų | 44.6 | 82% | 0.824 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -140.3 | 124.7 | 177.5 | -80.6 | -21 | 0 | 0 | 0 | 110.1 | E265 | E265-N267 PolarHBondContact O-N 2.66Š|
| 268 | G | 53.7 | Low | 81.8 | Confident | 61 Ų | 61 | 43.8 Ų | 43.8 | 63% | 0.629 | 25% | 0.245 | S | C | * | . | trans | 76.3 | 29.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | R216 | R216-G268 VanDerWaalsContact CZ-O 3.32Å; R216-G268 PolarHBondContact NH1-O 3.09Å; R216-G268 PolarHBondContact NH2-O 2.76Å | ||
| 269 | A | 63.1 | Low | 81.9 | Confident | 24 Ų | 24 | 42.7 Ų | 42.7 | 20% | 0.198 | 24% | 0.239 | C | C | . | . | trans | -58.2 | 144.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111 | E265 L274 | E265-A269 HydrophobicContact CB-CB 4.07Å; E265-A269 WeakPolarHBondContact OE2-CA 3.46Å; A269-L274 HydrophobicContact CB-CD1 3.97Å; A269-L274 HydrophobicContact CB-CD2 4.16Å; A269-L274 HydrophobicContact CB-CG 4.12Å | ||
| 270 | D | 78.8 | Confident | 81.9 | Confident | 39 Ų | 39 | 42.7 Ų | 42.7 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | trans | -71.3 | 119.9 | 168.8 | 173.3 | -0.6 | 0 | 0 | 0 | 108.2 | K220 E272 L273 L274 | K220-D270 IonicContact NZ-OD1 3.46Å; K220-D270 IonicContact NZ-OD2 3.32Å; K220-D270 PolarHBondContact NZ-OD2 2.68Å; D270-E272 PolarHBondContact O-N 3.15Å; D270-E272 WeakPolarHBondContact OD1-CB 3.47Å; D270-E272 PolarHBondContact OD1-N 2.9Å; D270-L273 HydrophobicContact CB-CB 4.38Å; D270-L273 HydrophobicContact CB-CD1 3.93Å; D270-L273 HydrophobicContact CB-CG 3.89Å; D270-L273 WeakPolarHBondContact O-CB 3.5Å; D270-L273 PolarHBondContact O-N 3Å; D270-L274 PolarHBondContact O-N 2.93Å | ||
| 271 | P | 83.8 | Confident | 82 | Confident | 65 Ų | 65 | 42.5 Ų | 42.5 | 42% | 0.422 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60 | -28.7 | -177.6 | 25 | -34.2 | 0 | 0 | 0 | 112.4 | L273 L274 V275 D320 | P271-L273 VanDerWaalsContact C-N 3.32Å; P271-L273 PolarHBondContact O-N 3.13Å; P271-L274 PolarHBondContact O-N 2.73Å; P271-V275 WeakPolarHBondContact O-CG2 3.46Å; P271-V275 PolarHBondContact O-N 2.72Å; P271-D320 HydrophobicContact CB-CB 4.2Å |
| 272 | E | 87 | Confident | 82.2 | Confident | 89 Ų | 89 | 39.4 Ų | 39.4 | 42% | 0.416 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.9 | -35.4 | 174.9 | -66.6 | 178.9 | -147.6 | 0 | 0 | 111.9 | K220 D270 V275 Y276 | K220-E272 WeakPolarHBondContact CE-OE2 3.46Å; K220-E272 IonicContact NZ-OE1 3.7Å; K220-E272 IonicContact NZ-OE2 3.4Å; K220-E272 PolarHBondContact NZ-OE2 3.48Å; D270-E272 PolarHBondContact O-N 3.15Å; D270-E272 WeakPolarHBondContact OD1-CB 3.47Å; D270-E272 PolarHBondContact OD1-N 2.9Å; E272-V275 PolarHBondContact O-N 3.44Å; E272-Y276 HydrophobicContact CB-CE2 4.13Å; E272-Y276 WeakPolarHBondContact O-CB 3.44Å; E272-Y276 WeakPolarHBondContact O-CD2 3.36Å; E272-Y276 PolarHBondContact O-N 3.44Å; E272-Y276 PolarHBondContact OE2-OH 2.99Å |
| 273 | L | 89.4 | Confident | 82.3 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.4 | -41.8 | 175.3 | -67.2 | 179.1 | 0 | 0 | 0 | 111.4 | R216 V219 K220 L223 I262 D270 P271 T277 | R216-L273 HydrophobicContact CB-CD1 4.35Å; R216-L273 HydrophobicContact CG-CD1 4.24Å; V219-L273 HydrophobicContact CG1-CD2 4.19Å; K220-L273 HydrophobicContact CB-CD2 3.64Å; K220-L273 HydrophobicContact CD-CD2 4.34Å; K220-L273 HydrophobicContact CG-CD2 3.9Å; L223-L273 HydrophobicContact CD1-CD2 3.99Å; I262-L273 HydrophobicContact CG2-CB 4.17Å; D270-L273 HydrophobicContact CB-CB 4.38Å; D270-L273 HydrophobicContact CB-CD1 3.93Å; D270-L273 HydrophobicContact CB-CG 3.89Å; D270-L273 WeakPolarHBondContact O-CB 3.5Å; D270-L273 PolarHBondContact O-N 3Å; P271-L273 VanDerWaalsContact C-N 3.32Å; P271-L273 PolarHBondContact O-N 3.13Å; L273-T277 VanDerWaalsContact O-CB 3.29Å; L273-T277 WeakPolarHBondContact O-CB 3.38Å; L273-T277 PolarHBondContact O-N 3.02Å; L273-T277 PolarHBondContact O-OG1 3.31Å |
| 274 | L | 89.3 | Confident | 82.5 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -47 | 176.1 | -59.1 | 178 | 0 | 0 | 0 | 110.6 | I262 L263 A269 D270 P271 T277 V278 L323 | I262-L274 HydrophobicContact CG2-CD2 4.48Å; I262-L274 VanDerWaalsContact O-CD2 3.22Å; I262-L274 WeakPolarHBondContact O-CD2 3.41Å; L263-L274 HydrophobicContact CD2-CB 4.49Å; L263-L274 HydrophobicContact CD2-CD2 3.85Å; A269-L274 HydrophobicContact CB-CD1 3.97Å; A269-L274 HydrophobicContact CB-CD2 4.16Å; A269-L274 HydrophobicContact CB-CG 4.12Å; D270-L274 PolarHBondContact O-N 2.93Å; P271-L274 PolarHBondContact O-N 2.73Å; L274-T277 PolarHBondContact O-N 3.45Å; L274-V278 WeakPolarHBondContact O-CG2 3.42Å; L274-V278 PolarHBondContact O-N 2.85Å; L274-L323 HydrophobicContact CB-CD1 3.77Å; L274-L323 HydrophobicContact CB-CD2 3.73Å; L274-L323 HydrophobicContact CB-CG 4.36Å; L274-L323 HydrophobicContact CD1-CD2 3.63Å; L274-L323 HydrophobicContact CG-CD2 4.33Å |
| 275 | V | 90.3 | Very high | 82.8 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.4 | -49.8 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 111 | P271 E272 T277 T279 D322 L323 T1142 | P271-V275 WeakPolarHBondContact O-CG2 3.46Å; P271-V275 PolarHBondContact O-N 2.72Å; E272-V275 PolarHBondContact O-N 3.44Å; V275-T277 VanDerWaalsContact C-N 3.31Å; V275-T277 PolarHBondContact O-N 2.9Å; V275-T279 VanDerWaalsContact O-CB 3.22Å; V275-T279 WeakPolarHBondContact O-CB 3.41Å; V275-T279 PolarHBondContact O-N 3.18Å; V275-T279 PolarHBondContact O-OG1 3.14Å; V275-D322 HydrophobicContact CG1-CB 4.41Å; V275-D322 HydrophobicContact CG2-CB 4.06Å; V275-L323 HydrophobicContact CG2-CB 3.8Å; V275-T1142 HydrophobicContact CG1-CG2 3.93Å |
| 276 | Y | 93.1 | Very high | 83.3 | Confident | 15 Ų | 15 | 32.7 Ų | 32.7 | 6% | 0.059 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.5 | -40 | 179 | -63.1 | -25.1 | 0 | 0 | 0 | 112.1 | K220 K224 L227 E272 T279 L280 V1138 T1142 | K220-Y276 HydrophobicContact CG-CD2 4.47Å; K220-Y276 HydrophobicContact CG-CE2 4.05Å; K224-Y276 HydrophobicContact CD-CE2 4.46Å; K224-Y276 VanDerWaalsContact CE-OH 3.24Å; K224-Y276 WeakPolarHBondContact CE-OH 3.46Å; K224-Y276 HydrophobicContact CG-CD2 4.42Å; K224-Y276 HydrophobicContact CG-CE2 4.05Å; L227-Y276 HydrophobicContact CD1-CD1 3.89Å; L227-Y276 HydrophobicContact CD1-CG 3.99Å; E272-Y276 HydrophobicContact CB-CE2 4.13Å; E272-Y276 WeakPolarHBondContact O-CB 3.44Å; E272-Y276 WeakPolarHBondContact O-CD2 3.36Å; E272-Y276 PolarHBondContact O-N 3.44Å; E272-Y276 PolarHBondContact OE2-OH 2.99Å; Y276-T279 PolarHBondContact O-N 3.15Å; Y276-L280 VanDerWaalsContact O-CB 3.31Å; Y276-L280 WeakPolarHBondContact O-CB 3.49Å; Y276-L280 PolarHBondContact O-N 3.37Å; Y276-V1138 HydrophobicContact CD1-CG1 3.89Å; Y276-V1138 HydrophobicContact CE1-CG1 3.33Å; Y276-T1142 HydrophobicContact CD1-CG2 3.77Å; Y276-T1142 HydrophobicContact CE1-CG2 3.98Å |
| 277 | T | 93.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -50 | -180 | -58.6 | 0 | 0 | 0 | 0 | 112 | L259 L263 L273 L274 V275 L280 I281 | L259-T277 HydrophobicContact CB-CG2 3.76Å; L259-T277 HydrophobicContact CD1-CG2 4.36Å; L259-T277 HydrophobicContact CD2-CG2 4.23Å; L259-T277 HydrophobicContact CG-CG2 4.31Å; L263-T277 HydrophobicContact CD1-CG2 4.21Å; L263-T277 HydrophobicContact CD2-CG2 3.89Å; L263-T277 HydrophobicContact CG-CG2 3.88Å; L273-T277 VanDerWaalsContact O-CB 3.29Å; L273-T277 WeakPolarHBondContact O-CB 3.38Å; L273-T277 PolarHBondContact O-N 3.02Å; L273-T277 PolarHBondContact O-OG1 3.31Å; L274-T277 PolarHBondContact O-N 3.45Å; V275-T277 VanDerWaalsContact C-N 3.31Å; V275-T277 PolarHBondContact O-N 2.9Å; T277-L280 PolarHBondContact O-N 3.05Å; T277-I281 HydrophobicContact CG2-CD1 4.43Å; T277-I281 WeakPolarHBondContact O-CG1 3.48Å; T277-I281 PolarHBondContact O-N 3.49Å |
| 278 | V | 91.9 | Very high | 86.5 | Confident | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.024 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.5 | -36.1 | 177.6 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | L263 L274 L280 I281 N282 L323 Q326 L327 | L263-V278 HydrophobicContact CD1-CG2 4.27Å; L263-V278 HydrophobicContact CD2-CG2 3.75Å; L274-V278 WeakPolarHBondContact O-CG2 3.42Å; L274-V278 PolarHBondContact O-N 2.85Å; V278-L280 VanDerWaalsContact C-N 3.35Å; V278-L280 PolarHBondContact O-N 3.4Å; V278-I281 PolarHBondContact O-N 2.93Å; V278-N282 WeakPolarHBondContact O-CB 3.34Å; V278-N282 PolarHBondContact O-N 3.41Å; V278-L323 HydrophobicContact CG2-CD1 3.96Å; V278-Q326 HydrophobicContact CB-CB 4.08Å; V278-Q326 HydrophobicContact CG1-CB 3.77Å; V278-L327 HydrophobicContact CG1-CD2 4.18Å; V278-L327 HydrophobicContact CG2-CD2 3.95Å; V278-L327 HydrophobicContact CG2-CG 4.5Å |
| 279 | T | 92.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.2 | -41.6 | 175 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | L227 V275 Y276 N282 K283 V1141 T1142 | L227-T279 HydrophobicContact CD2-CG2 3.87Å; V275-T279 VanDerWaalsContact O-CB 3.22Å; V275-T279 WeakPolarHBondContact O-CB 3.41Å; V275-T279 PolarHBondContact O-N 3.18Å; V275-T279 PolarHBondContact O-OG1 3.14Å; Y276-T279 PolarHBondContact O-N 3.15Å; T279-N282 PolarHBondContact O-N 3.32Å; T279-K283 HydrophobicContact CG2-CG 4.17Å; T279-K283 WeakPolarHBondContact O-CB 3.4Å; T279-K283 VanDerWaalsContact O-CG 3.29Å; T279-K283 WeakPolarHBondContact O-CG 3.44Å; T279-K283 PolarHBondContact O-N 2.93Å; T279-V1141 HydrophobicContact CG2-CG1 3.92Å; T279-T1142 HydrophobicContact CG2-CG2 4.11Å |
| 280 | L | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | 179.3 | -179.3 | 59.1 | 0 | 0 | 0 | 111.5 | L223 L226 L227 V230 F240 L259 Y276 T277 V278 T284 | L223-L280 HydrophobicContact CD2-CD2 4.08Å; L226-L280 HydrophobicContact CB-CD1 4.15Å; L226-L280 HydrophobicContact CB-CD2 3.78Å; L226-L280 HydrophobicContact CD1-CD2 4.19Å; L227-L280 HydrophobicContact CD2-CB 3.78Å; L227-L280 HydrophobicContact CD2-CD1 4.16Å; L227-L280 HydrophobicContact CG-CB 4.25Å; L227-L280 HydrophobicContact CG-CD1 4.39Å; V230-L280 HydrophobicContact CB-CD1 4.26Å; V230-L280 HydrophobicContact CG2-CD1 3.9Å; F240-L280 HydrophobicContact CE1-CD1 4.02Å; F240-L280 HydrophobicContact CE1-CD2 4.05Å; F240-L280 HydrophobicContact CE1-CG 3.9Å; F240-L280 HydrophobicContact CZ-CD1 4.48Å; F240-L280 HydrophobicContact CZ-CD2 3.82Å; F240-L280 HydrophobicContact CZ-CG 4.21Å; L259-L280 HydrophobicContact CD1-CD2 4.13Å; Y276-L280 VanDerWaalsContact O-CB 3.31Å; Y276-L280 WeakPolarHBondContact O-CB 3.49Å; Y276-L280 PolarHBondContact O-N 3.37Å; T277-L280 PolarHBondContact O-N 3.05Å; V278-L280 VanDerWaalsContact C-N 3.35Å; V278-L280 PolarHBondContact O-N 3.4Å; L280-T284 WeakPolarHBondContact O-CB 3.41Å; L280-T284 PolarHBondContact O-N 2.95Å; L280-T284 PolarHBondContact O-OG1 3.23Å |
| 281 | I | 93.5 | Very high | 88.8 | Confident | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.8 | -52 | 172.9 | -67.4 | 167.4 | 0 | 0 | 0 | 110.2 | L259 L263 T277 V278 K283 T284 L285 L301 M306 Y330 | L259-I281 HydrophobicContact CD1-CD1 4.33Å; L259-I281 HydrophobicContact CD1-CG1 3.98Å; L263-I281 HydrophobicContact CD1-CD1 4.48Å; T277-I281 HydrophobicContact CG2-CD1 4.43Å; T277-I281 WeakPolarHBondContact O-CG1 3.48Å; T277-I281 PolarHBondContact O-N 3.49Å; V278-I281 PolarHBondContact O-N 2.93Å; I281-K283 PolarHBondContact O-N 3.19Å; I281-T284 PolarHBondContact O-N 3.27Å; I281-L285 HydrophobicContact CG2-CD1 3.84Å; I281-L285 HydrophobicContact CG2-CG 4.45Å; I281-L285 WeakPolarHBondContact O-CB 3.36Å; I281-L285 WeakPolarHBondContact O-CG 3.4Å; I281-L285 PolarHBondContact O-N 2.8Å; I281-L301 HydrophobicContact CD1-CD2 4.34Å; I281-L301 HydrophobicContact CG2-CD1 3.73Å; I281-M306 HydrophobicContact CD1-CE 3.95Å; I281-Y330 HydrophobicContact CG2-CD2 4.1Å; I281-Y330 HydrophobicContact CG2-CE2 3.91Å |
| 282 | N | 93.1 | Very high | 88.8 | Confident | 9 Ų | 9 | 20.6 Ų | 20.6 | 5% | 0.048 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.4 | -43.6 | 179.6 | -77.3 | -15.9 | 0 | 0 | 0 | 112.8 | V278 T279 L285 A286 Q326 Y330 | V278-N282 WeakPolarHBondContact O-CB 3.34Å; V278-N282 PolarHBondContact O-N 3.41Å; T279-N282 PolarHBondContact O-N 3.32Å; N282-L285 PolarHBondContact O-N 3.04Å; N282-A286 VanDerWaalsContact O-CB 3.28Å; N282-A286 WeakPolarHBondContact O-CB 3.47Å; N282-A286 PolarHBondContact O-N 2.9Å; N282-Q326 PolarHBondContact ND2-O 2.67Å; N282-Q326 PolarHBondContact ND2-OE1 2.86Å; N282-Y330 WeakPolarHBondContact OD1-CB 3.38Å |
| 283 | K | 90.9 | Very high | 88.8 | Confident | 22 Ų | 22 | 18.4 Ų | 18.4 | 10% | 0.096 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.2 | -43.2 | 178.3 | -74.8 | -73.3 | -174.7 | 152.4 | 0 | 112.1 | V230 E231 T279 I281 L285 A286 A287 V1141 L1149 | V230-K283 HydrophobicContact CG1-CB 4.17Å; E231-K283 IonicContact OE1-NZ 2.8Å; E231-K283 PolarHBondContact OE1-NZ 3.23Å; E231-K283 VanDerWaalsContact OE2-CD 3.24Å; E231-K283 WeakPolarHBondContact OE2-CD 3.39Å; E231-K283 VanDerWaalsContact OE2-CE 3.26Å; E231-K283 WeakPolarHBondContact OE2-CE 3.35Å; E231-K283 IonicContact OE2-NZ 3.81Å; E231-K283 PolarHBondContact OE2-NZ 3.34Å; T279-K283 HydrophobicContact CG2-CG 4.17Å; T279-K283 WeakPolarHBondContact O-CB 3.4Å; T279-K283 VanDerWaalsContact O-CG 3.29Å; T279-K283 WeakPolarHBondContact O-CG 3.44Å; T279-K283 PolarHBondContact O-N 2.93Å; I281-K283 PolarHBondContact O-N 3.19Å; K283-L285 PolarHBondContact O-N 3.41Å; K283-A286 PolarHBondContact O-N 3.4Å; K283-A287 PolarHBondContact O-N 2.79Å; K283-A287 VanDerWaalsContact O-N 3.16Å; K283-V1141 HydrophobicContact CD-CG1 4.31Å; K283-V1141 HydrophobicContact CG-CG1 4.07Å; K283-L1149 HydrophobicContact CD-CD2 3.81Å |
| 284 | T | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 175.5 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | A237 F240 I241 W256 L280 I281 A287 | A237-T284 HydrophobicContact CB-CG2 4.05Å; F240-T284 HydrophobicContact CD1-CG2 4.15Å; I241-T284 HydrophobicContact CD1-CG2 3.84Å; I241-T284 HydrophobicContact CG1-CG2 3.78Å; W256-T284 HydrophobicContact CH2-CG2 4.17Å; L280-T284 WeakPolarHBondContact O-CB 3.41Å; L280-T284 PolarHBondContact O-N 2.95Å; L280-T284 PolarHBondContact O-OG1 3.23Å; I281-T284 PolarHBondContact O-N 3.27Å; T284-A287 PolarHBondContact O-N 2.73Å |
| 285 | L | 89.8 | Confident | 88.7 | Confident | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 177.2 | -72.6 | 173.6 | 0 | 0 | 0 | 113 | I281 N282 K283 A287 L288 F294 V297 T298 Y330 R1154 | I281-L285 HydrophobicContact CG2-CD1 3.84Å; I281-L285 HydrophobicContact CG2-CG 4.45Å; I281-L285 WeakPolarHBondContact O-CB 3.36Å; I281-L285 WeakPolarHBondContact O-CG 3.4Å; I281-L285 PolarHBondContact O-N 2.8Å; N282-L285 PolarHBondContact O-N 3.04Å; K283-L285 PolarHBondContact O-N 3.41Å; L285-A287 VanDerWaalsContact C-N 3.3Å; L285-A287 PolarHBondContact O-N 2.93Å; L285-L288 HydrophobicContact CD2-CD1 4.19Å; L285-L288 PolarHBondContact O-N 2.83Å; L285-F294 HydrophobicContact CB-CD2 4.15Å; L285-F294 HydrophobicContact CB-CE2 4.02Å; L285-F294 HydrophobicContact CD1-CE2 4.33Å; L285-F294 HydrophobicContact CD2-CD2 3.73Å; L285-F294 HydrophobicContact CD2-CE2 3.96Å; L285-F294 HydrophobicContact CG-CD2 4.46Å; L285-F294 HydrophobicContact CG-CE2 4.34Å; L285-V297 HydrophobicContact CD2-CB 3.79Å; L285-V297 HydrophobicContact CD2-CG1 3.56Å; L285-V297 HydrophobicContact CG-CG1 4.32Å; L285-T298 HydrophobicContact CD1-CG2 4.11Å; L285-T298 HydrophobicContact CD2-CG2 3.92Å; L285-Y330 HydrophobicContact CD1-CD2 4.06Å; L285-Y330 HydrophobicContact CD1-CE2 3.77Å; L285-R1154 PolarHBondContact O-NH2 3.49Å |
| 286 | A | 87.6 | Confident | 88.6 | Confident | 23 Ų | 23 | 21.4 Ų | 21.4 | 19% | 0.19 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.2 | -25.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N282 K283 L1149 | N282-A286 VanDerWaalsContact O-CB 3.28Å; N282-A286 WeakPolarHBondContact O-CB 3.47Å; N282-A286 PolarHBondContact O-N 2.9Å; K283-A286 PolarHBondContact O-N 3.4Å; A286-L1149 HydrophobicContact CB-CD2 4.03Å |
| 287 | A | 87.1 | Confident | 88.5 | Confident | 15 Ų | 15 | 21 Ų | 21 | 12% | 0.124 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -11.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E234 A237 K283 T284 L285 | E234-A287 HydrophobicContact CB-CB 4.45Å; A237-A287 HydrophobicContact CB-CB 3.52Å; K283-A287 PolarHBondContact O-N 2.79Å; K283-A287 VanDerWaalsContact O-N 3.16Å; T284-A287 PolarHBondContact O-N 2.73Å; L285-A287 VanDerWaalsContact C-N 3.3Å; L285-A287 PolarHBondContact O-N 2.93Å |
| 288 | L | 84.2 | Confident | 88.3 | Confident | 10 Ų | 10 | 21 Ų | 21 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | trans | -72.4 | 126.6 | -178.9 | -71.5 | 171.8 | 0 | 0 | 0 | 112.4 | I241 L285 F294 V297 R1154 | I241-L288 HydrophobicContact CD1-CD1 4.25Å; I241-L288 HydrophobicContact CD1-CD2 3.72Å; I241-L288 HydrophobicContact CD1-CG 4.37Å; L285-L288 HydrophobicContact CD2-CD1 4.19Å; L285-L288 PolarHBondContact O-N 2.83Å; L288-F294 HydrophobicContact CD1-CB 4.36Å; L288-V297 HydrophobicContact CD1-CG2 4.18Å; L288-R1154 PolarHBondContact O-NE 2.89Å | ||
| 289 | P | 77.3 | Confident | 88.1 | Confident | 87 Ų | 87 | 21.7 Ų | 21.7 | 57% | 0.565 | 13% | 0.128 | S | C | * | . | trans | -83 | -18.9 | -172.1 | 33.2 | -35.8 | 0 | 0 | 0 | 114.3 | K1155 | P289-K1155 PolarHBondContact O-N 3.25Š| ||
| 290 | D | 82.6 | Confident | 87.9 | Confident | 46 Ų | 46 | 22.5 Ų | 22.5 | 25% | 0.246 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -125.9 | 155.7 | -174.7 | 64 | -77.8 | 0 | 0 | 0 | 112.2 | S293 | D290-S293 VanDerWaalsContact CG-OG 3.29Å; D290-S293 PolarHBondContact OD1-OG 3.26Å; D290-S293 WeakPolarHBondContact OD2-CB 3.25Å; D290-S293 PolarHBondContact OD2-N 2.67Å; D290-S293 PolarHBondContact OD2-OG 3.07Å |
| 291 | Q | 83.3 | Confident | 87.8 | Confident | 21 Ų | 21 | 22.5 Ų | 22.5 | 10% | 0.098 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -77.8 | -29.1 | -175 | -177.8 | 167.1 | 29.9 | 0 | 0 | 113.1 | Y295 E337 | Q291-Y295 HydrophobicContact CG-CD2 3.83Å; Q291-Y295 HydrophobicContact CG-CE2 3.46Å; Q291-Y295 VanDerWaalsContact CG-CE2 3.46Å; Q291-Y295 PolarHBondContact NE2-OH 2.72Å; Q291-Y295 VanDerWaalsContact O-CD2 3.22Å; Q291-Y295 WeakPolarHBondContact O-CD2 3.32Å; Q291-Y295 PolarHBondContact O-N 2.79Å; Q291-Y295 VanDerWaalsContact O-N 3.12Å; Q291-E337 WeakPolarHBondContact CB-OE1 3.48Å; Q291-E337 VanDerWaalsContact CD-OE1 3.25Å; Q291-E337 HydrophobicContact CG-CG 4.03Å; Q291-E337 WeakPolarHBondContact CG-OE1 3.3Å; Q291-E337 PolarHBondContact NE2-O 2.84Å; Q291-E337 PolarHBondContact NE2-OE1 3.44Å |
| 292 | D | 83.8 | Confident | 87.7 | Confident | 57 Ų | 57 | 23.4 Ų | 23.4 | 31% | 0.305 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -70.5 | -46.5 | -178 | -61.4 | -36.5 | 0 | 0 | 0 | 110.8 | F294 Y295 D296 S1157 R1161 | D292-F294 VanDerWaalsContact C-N 3.3Å; D292-F294 PolarHBondContact O-N 3.01Å; D292-Y295 PolarHBondContact O-N 2.87Å; D292-D296 PolarHBondContact O-N 2.97Å; D292-S1157 VanDerWaalsContact CG-CB 3.48Å; D292-S1157 WeakPolarHBondContact OD1-CB 3.33Å; D292-S1157 PolarHBondContact OD1-OG 2.83Å; D292-S1157 WeakPolarHBondContact OD2-CB 3.36Å; D292-S1157 PolarHBondContact OD2-OG 3.14Å; D292-R1161 PolarHBondContact O-NH1 3.44Å |
| 293 | S | 86.5 | Confident | 87.5 | Confident | 42 Ų | 42 | 30.1 Ų | 30.1 | 29% | 0.294 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.2 | -33.4 | 175.7 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | D290 D296 V297 | D290-S293 VanDerWaalsContact CG-OG 3.29Å; D290-S293 PolarHBondContact OD1-OG 3.26Å; D290-S293 WeakPolarHBondContact OD2-CB 3.25Å; D290-S293 PolarHBondContact OD2-N 2.67Å; D290-S293 PolarHBondContact OD2-OG 3.07Å; S293-D296 PolarHBondContact O-N 3.01Å; S293-V297 PolarHBondContact O-N 2.97Å |
| 294 | F | 88.2 | Confident | 87.5 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 172.6 | 173.5 | -92.4 | 0 | 0 | 0 | 110.4 | L285 L288 D292 D296 V297 T298 L334 E337 R1154 | L285-F294 HydrophobicContact CB-CD2 4.15Å; L285-F294 HydrophobicContact CB-CE2 4.02Å; L285-F294 HydrophobicContact CD1-CE2 4.33Å; L285-F294 HydrophobicContact CD2-CD2 3.73Å; L285-F294 HydrophobicContact CD2-CE2 3.96Å; L285-F294 HydrophobicContact CG-CD2 4.46Å; L285-F294 HydrophobicContact CG-CE2 4.34Å; L288-F294 HydrophobicContact CD1-CB 4.36Å; D292-F294 VanDerWaalsContact C-N 3.3Å; D292-F294 PolarHBondContact O-N 3.01Å; F294-D296 PolarHBondContact O-N 2.86Å; F294-V297 PolarHBondContact O-N 2.78Å; F294-T298 HydrophobicContact CD1-CG2 4.37Å; F294-T298 HydrophobicContact CE1-CG2 3.99Å; F294-T298 HydrophobicContact CE2-CG2 4.26Å; F294-T298 HydrophobicContact CZ-CG2 3.93Å; F294-T298 WeakPolarHBondContact O-CG2 3.38Å; F294-T298 PolarHBondContact O-N 2.86Å; F294-T298 PolarHBondContact O-OG1 2.91Å; F294-L334 HydrophobicContact CE1-CD2 4.24Å; F294-L334 HydrophobicContact CZ-CD2 4.25Å; F294-E337 HydrophobicContact CD1-CB 4.26Å; F294-E337 HydrophobicContact CD1-CG 3.79Å; F294-E337 HydrophobicContact CE1-CB 3.76Å; F294-E337 HydrophobicContact CE1-CG 3.83Å; F294-E337 HydrophobicContact CZ-CB 4.33Å; F294-R1154 VanDerWaalsContact CD2-CZ 3.4Å; F294-R1154 VanDerWaalsContact CD2-NH2 3.25Å |
| 295 | Y | 88.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.1 | -35.6 | 177.8 | -71.9 | -50.9 | 0 | 0 | 0 | 113.1 | Q291 D292 V297 T298 D299 E337 R1161 S1163 | Q291-Y295 HydrophobicContact CG-CD2 3.83Å; Q291-Y295 HydrophobicContact CG-CE2 3.46Å; Q291-Y295 VanDerWaalsContact CG-CE2 3.46Å; Q291-Y295 PolarHBondContact NE2-OH 2.72Å; Q291-Y295 VanDerWaalsContact O-CD2 3.22Å; Q291-Y295 WeakPolarHBondContact O-CD2 3.32Å; Q291-Y295 PolarHBondContact O-N 2.79Å; Q291-Y295 VanDerWaalsContact O-N 3.12Å; D292-Y295 PolarHBondContact O-N 2.87Å; Y295-V297 VanDerWaalsContact C-N 3.31Å; Y295-V297 PolarHBondContact O-N 2.8Å; Y295-T298 WeakPolarHBondContact CA-OG1 3.32Å; Y295-T298 PolarHBondContact O-N 3.29Å; Y295-T298 PolarHBondContact O-OG1 3.02Å; Y295-D299 WeakPolarHBondContact O-CB 3.27Å; Y295-D299 PolarHBondContact O-N 3.19Å; Y295-E337 HydrophobicContact CE1-CG 4.48Å; Y295-E337 PolarHBondContact OH-O 3.16Å; Y295-R1161 VanDerWaalsContact CB-CZ 3.46Å; Y295-R1161 VanDerWaalsContact CB-NE 3.34Å; Y295-R1161 HydrophobicContact CD2-CB 4.04Å; Y295-R1161 HydrophobicContact CD2-CG 3.65Å; Y295-R1161 HydrophobicContact CE2-CB 4.13Å; Y295-R1161 HydrophobicContact CE2-CG 4.1Å; Y295-R1161 VanDerWaalsContact CE2-O 3.27Å; Y295-R1161 WeakPolarHBondContact CE2-O 3.28Å; Y295-R1161 HydrophobicContact CG-CG 4.25Å; Y295-R1161 PolarHBondContact OH-O 3.48Å; Y295-S1163 VanDerWaalsContact CE1-N 3.34Å |
| 296 | D | 88.6 | Confident | 87.2 | Confident | 90 Ų | 90 | 32.3 Ų | 32.3 | 48% | 0.481 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.4 | -38.4 | 175.7 | -71.7 | -19.5 | 0 | 0 | 0 | 112.5 | D292 S293 F294 A300 R1161 | D292-D296 PolarHBondContact O-N 2.97Å; S293-D296 PolarHBondContact O-N 3.01Å; F294-D296 PolarHBondContact O-N 2.86Å; D296-A300 WeakPolarHBondContact O-CB 3.5Å; D296-A300 PolarHBondContact O-N 3.13Å; D296-R1161 IonicContact OD1-CZ 3.22Å; D296-R1161 IonicContact OD1-NH1 2.71Å; D296-R1161 PolarHBondContact OD1-NH1 2.88Å; D296-R1161 IonicContact OD1-NH2 2.74Å; D296-R1161 PolarHBondContact OD1-NH2 3.2Å |
| 297 | V | 89.8 | Confident | 87.2 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.7 | -44.8 | 174.1 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | I241 W256 L285 L288 S293 F294 Y295 L301 | I241-V297 HydrophobicContact CD1-CG2 3.8Å; I241-V297 HydrophobicContact CG1-CG2 4.19Å; I241-V297 HydrophobicContact CG2-CG2 4.38Å; W256-V297 HydrophobicContact CH2-CG1 4.46Å; W256-V297 HydrophobicContact CZ2-CG1 3.58Å; W256-V297 HydrophobicContact CZ2-CG2 4.24Å; L285-V297 HydrophobicContact CD2-CB 3.79Å; L285-V297 HydrophobicContact CD2-CG1 3.56Å; L285-V297 HydrophobicContact CG-CG1 4.32Å; L288-V297 HydrophobicContact CD1-CG2 4.18Å; S293-V297 PolarHBondContact O-N 2.97Å; F294-V297 PolarHBondContact O-N 2.78Å; Y295-V297 VanDerWaalsContact C-N 3.31Å; Y295-V297 PolarHBondContact O-N 2.8Å; V297-L301 HydrophobicContact CG1-CD1 4.19Å; V297-L301 WeakPolarHBondContact O-CG 3.39Å; V297-L301 PolarHBondContact O-N 3.33Å |
| 298 | T | 89.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.4 | -46.4 | -179.6 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | L285 F294 Y295 A300 L301 E302 L334 | L285-T298 HydrophobicContact CD1-CG2 4.11Å; L285-T298 HydrophobicContact CD2-CG2 3.92Å; F294-T298 HydrophobicContact CD1-CG2 4.37Å; F294-T298 HydrophobicContact CE1-CG2 3.99Å; F294-T298 HydrophobicContact CE2-CG2 4.26Å; F294-T298 HydrophobicContact CZ-CG2 3.93Å; F294-T298 WeakPolarHBondContact O-CG2 3.38Å; F294-T298 PolarHBondContact O-N 2.86Å; F294-T298 PolarHBondContact O-OG1 2.91Å; Y295-T298 WeakPolarHBondContact CA-OG1 3.32Å; Y295-T298 PolarHBondContact O-N 3.29Å; Y295-T298 PolarHBondContact O-OG1 3.02Å; T298-A300 PolarHBondContact O-N 2.77Å; T298-L301 WeakPolarHBondContact O-CB 3.39Å; T298-L301 PolarHBondContact O-N 3.12Å; T298-E302 VanDerWaalsContact O-CG 3.31Å; T298-E302 WeakPolarHBondContact O-CG 3.15Å; T298-E302 PolarHBondContact O-N 2.85Å; T298-L334 HydrophobicContact CG2-CD2 3.74Å |
| 299 | D | 88.4 | Confident | 87.4 | Confident | 18 Ų | 18 | 36 Ų | 36 | 10% | 0.096 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -32.1 | -178.2 | -63.4 | -19.1 | 0 | 0 | 0 | 111.3 | Y295 Q303 R1161 L1164 | Y295-D299 WeakPolarHBondContact O-CB 3.27Å; Y295-D299 PolarHBondContact O-N 3.19Å; D299-Q303 VanDerWaalsContact O-CG 3.24Å; D299-Q303 WeakPolarHBondContact O-CG 3.31Å; D299-Q303 PolarHBondContact O-N 2.88Å; D299-Q303 PolarHBondContact O-NE2 3.18Å; D299-Q303 VanDerWaalsContact O-NE2 3.08Å; D299-R1161 IonicContact OD2-CZ 3.66Å; D299-R1161 IonicContact OD2-NE 2.67Å; D299-R1161 IonicContact OD2-NH2 3.71Å; D299-R1161 PolarHBondContact OD2-NH2 3.08Å; D299-L1164 HydrophobicContact CB-CB 4.15Å; D299-L1164 VanDerWaalsContact OD1-CB 3.23Å; D299-L1164 WeakPolarHBondContact OD1-CB 3.39Å; D299-L1164 PolarHBondContact OD1-N 3.22Å |
| 300 | A | 89 | Confident | 87.8 | Confident | 16 Ų | 16 | 31.9 Ų | 31.9 | 13% | 0.132 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.3 | -41.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P255 D296 T298 Q304 | P255-A300 HydrophobicContact CG-CB 4.21Å; D296-A300 WeakPolarHBondContact O-CB 3.5Å; D296-A300 PolarHBondContact O-N 3.13Å; T298-A300 PolarHBondContact O-N 2.77Å; A300-Q304 PolarHBondContact O-NE2 2.92Å |
| 301 | L | 91.3 | Very high | 88 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66 | -39.6 | 174.5 | -66.9 | 166.9 | 0 | 0 | 0 | 111.4 | W256 V260 I281 V297 T298 Q304 M306 Y330 | W256-L301 HydrophobicContact CB-CD2 3.47Å; W256-L301 VanDerWaalsContact CB-CD2 3.47Å; W256-L301 HydrophobicContact CD2-CD2 4.09Å; W256-L301 HydrophobicContact CG-CD2 3.57Å; W256-L301 HydrophobicContact CG-CG 4.23Å; V260-L301 HydrophobicContact CG2-CD2 4.22Å; I281-L301 HydrophobicContact CD1-CD2 4.34Å; I281-L301 HydrophobicContact CG2-CD1 3.73Å; V297-L301 HydrophobicContact CG1-CD1 4.19Å; V297-L301 WeakPolarHBondContact O-CG 3.39Å; V297-L301 PolarHBondContact O-N 3.33Å; T298-L301 WeakPolarHBondContact O-CB 3.39Å; T298-L301 PolarHBondContact O-N 3.12Å; L301-Q304 PolarHBondContact O-N 3.08Å; L301-Q304 VanDerWaalsContact O-N 3.16Å; L301-M306 HydrophobicContact CB-CB 4.09Å; L301-M306 HydrophobicContact CB-CE 4.2Å; L301-M306 HydrophobicContact CB-CG 4.37Å; L301-M306 HydrophobicContact CD1-CE 4.46Å; L301-M306 HydrophobicContact CD2-CE 3.82Å; L301-M306 HydrophobicContact CG-CE 4.39Å; L301-M306 VanDerWaalsContact O-CB 3.26Å; L301-M306 WeakPolarHBondContact O-CB 3.35Å; L301-M306 PolarHBondContact O-N 2.7Å; L301-Y330 HydrophobicContact CD1-CE2 4.23Å |
| 302 | E | 89.6 | Confident | 88.2 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.9 | -34.1 | 179.9 | -62.6 | -49.3 | 145.1 | 0 | 0 | 113.2 | T298 Q304 G305 E307 Y330 L1164 R1165 | T298-E302 VanDerWaalsContact O-CG 3.31Å; T298-E302 WeakPolarHBondContact O-CG 3.15Å; T298-E302 PolarHBondContact O-N 2.85Å; E302-Q304 PolarHBondContact O-N 2.9Å; E302-Q304 VanDerWaalsContact O-N 3.15Å; E302-G305 PolarHBondContact O-N 2.7Å; E302-E307 WeakPolarHBondContact OE2-CB 3.33Å; E302-E307 PolarHBondContact OE2-N 2.92Å; E302-Y330 PolarHBondContact OE1-OH 2.95Å; E302-L1164 HydrophobicContact CB-CD2 4.24Å; E302-R1165 HydrophobicContact CG-CG 3.97Å; E302-R1165 IonicContact OE1-CZ 3.63Å; E302-R1165 VanDerWaalsContact OE1-CZ 3.27Å; E302-R1165 IonicContact OE1-NE 3.76Å; E302-R1165 PolarHBondContact OE1-NE 3.03Å; E302-R1165 VanDerWaalsContact OE1-NE 3.1Å; E302-R1165 IonicContact OE1-NH2 3.99Å; E302-R1165 PolarHBondContact OE1-NH2 3Å; E302-R1165 IonicContact OE2-CZ 3.8Å; E302-R1165 IonicContact OE2-NE 3.46Å; E302-R1165 PolarHBondContact OE2-NE 3.19Å; E302-R1165 IonicContact OE2-NH2 3.76Å; E302-R1165 PolarHBondContact OE2-NH2 2.92Å |
| 303 | Q | 89.3 | Confident | 88.2 | Confident | 150 Ų | 150 | 36.6 Ų | 36.6 | 70% | 0.701 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -60 | -20.9 | 170.8 | -76.8 | 166.5 | 54.9 | 0 | 0 | 113.4 | D299 L1164 | D299-Q303 VanDerWaalsContact O-CG 3.24Å; D299-Q303 WeakPolarHBondContact O-CG 3.31Å; D299-Q303 PolarHBondContact O-N 2.88Å; D299-Q303 PolarHBondContact O-NE2 3.18Å; D299-Q303 VanDerWaalsContact O-NE2 3.08Å; Q303-L1164 HydrophobicContact CG-CD2 3.87Å |
| 304 | Q | 90.8 | Very high | 88.2 | Confident | 37 Ų | 37 | 36.3 Ų | 36.3 | 17% | 0.173 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 13.7 | 175.2 | -66.7 | 162.6 | 97.3 | 0 | 0 | 112.9 | P254 P255 A257 V260 A300 L301 E302 | P254-Q304 HydrophobicContact CB-CG 4.15Å; P254-Q304 HydrophobicContact CG-CG 4.02Å; P255-Q304 PolarHBondContact O-NE2 3.47Å; P255-Q304 PolarHBondContact O-OE1 3.49Å; A257-Q304 VanDerWaalsContact N-OE1 3.17Å; V260-Q304 HydrophobicContact CG1-CB 4.15Å; V260-Q304 HydrophobicContact CG2-CB 4.13Å; A300-Q304 PolarHBondContact O-NE2 2.92Å; L301-Q304 PolarHBondContact O-N 3.08Å; L301-Q304 VanDerWaalsContact O-N 3.16Å; E302-Q304 PolarHBondContact O-N 2.9Å; E302-Q304 VanDerWaalsContact O-N 3.15Å |
| 305 | G | 86.4 | Confident | 87.8 | Confident | 30 Ų | 30 | 39.5 Ų | 39.5 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 22.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | E302 E307 A308 L309 | E302-G305 PolarHBondContact O-N 2.7Å; G305-E307 PolarHBondContact O-N 3.44Å; G305-E307 VanDerWaalsContact O-N 3.15Å; G305-A308 WeakPolarHBondContact O-CB 3.28Å; G305-A308 PolarHBondContact O-N 2.91Å; G305-L309 PolarHBondContact O-N 2.85Å |
| 306 | M | 89.3 | Confident | 87.5 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -48.8 | -41 | 176.4 | -179.1 | 62.7 | 73.7 | 0 | 0 | 112.6 | V260 L263 I281 L301 A308 L309 V310 Y330 | V260-M306 HydrophobicContact CG2-CE 4.44Å; L263-M306 HydrophobicContact CD1-CE 3.81Å; L263-M306 HydrophobicContact CD1-SD 4.05Å; I281-M306 HydrophobicContact CD1-CE 3.95Å; L301-M306 HydrophobicContact CB-CB 4.09Å; L301-M306 HydrophobicContact CB-CE 4.2Å; L301-M306 HydrophobicContact CB-CG 4.37Å; L301-M306 HydrophobicContact CD1-CE 4.46Å; L301-M306 HydrophobicContact CD2-CE 3.82Å; L301-M306 HydrophobicContact CG-CE 4.39Å; L301-M306 VanDerWaalsContact O-CB 3.26Å; L301-M306 WeakPolarHBondContact O-CB 3.35Å; L301-M306 PolarHBondContact O-N 2.7Å; M306-A308 VanDerWaalsContact C-N 3.35Å; M306-A308 PolarHBondContact O-N 3.43Å; M306-L309 PolarHBondContact O-N 3.04Å; M306-L309 VanDerWaalsContact O-N 3.13Å; M306-V310 HydrophobicContact CG-CG2 4.08Å; M306-V310 WeakPolarHBondContact O-CG2 3.44Å; M306-V310 PolarHBondContact O-N 2.97Å; M306-V310 HydrophobicContact SD-CG2 3.94Å; M306-Y330 HydrophobicContact CG-CE1 3.96Å |
| 307 | E | 86.9 | Confident | 86.6 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -53.2 | -47.6 | 173.7 | -164.8 | -177 | 132.2 | 0 | 0 | 113.5 | E302 G305 L309 V310 Q311 R1165 K1169 | E302-E307 WeakPolarHBondContact OE2-CB 3.33Å; E302-E307 PolarHBondContact OE2-N 2.92Å; G305-E307 PolarHBondContact O-N 3.44Å; G305-E307 VanDerWaalsContact O-N 3.15Å; E307-L309 VanDerWaalsContact C-N 3.26Å; E307-L309 PolarHBondContact O-N 2.58Å; E307-V310 PolarHBondContact O-N 3Å; E307-Q311 HydrophobicContact CG-CG 4.12Å; E307-Q311 VanDerWaalsContact O-CB 3.3Å; E307-Q311 WeakPolarHBondContact O-CB 3.44Å; E307-Q311 WeakPolarHBondContact O-CG 3.5Å; E307-Q311 PolarHBondContact O-N 3.34Å; E307-R1165 VanDerWaalsContact CA-NH2 3.28Å; E307-R1165 WeakPolarHBondContact OE2-CD 3.43Å; E307-R1165 WeakPolarHBondContact OE2-CG 3.49Å; E307-R1165 IonicContact OE2-NE 2.67Å; E307-K1169 WeakPolarHBondContact OE1-CE 3.49Å; E307-K1169 IonicContact OE1-NZ 3.68Å; E307-K1169 PolarHBondContact OE1-NZ 3.47Å; E307-K1169 WeakPolarHBondContact OE2-CE 3.35Å; E307-K1169 IonicContact OE2-NZ 2.76Å; E307-K1169 PolarHBondContact OE2-NZ 3.25Å |
| 308 | A | 86.9 | Confident | 85.8 | Confident | 67 Ų | 67 | 47 Ų | 47 | 55% | 0.554 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.8 | -33.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G305 M306 R312 | G305-A308 WeakPolarHBondContact O-CB 3.28Å; G305-A308 PolarHBondContact O-N 2.91Å; M306-A308 VanDerWaalsContact C-N 3.35Å; M306-A308 PolarHBondContact O-N 3.43Å; A308-R312 WeakPolarHBondContact O-CB 3.42Å; A308-R312 PolarHBondContact O-N 3.01Å |
| 309 | L | 88.1 | Confident | 85.3 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.9 | -46.3 | 176 | -60.4 | 176.1 | 0 | 0 | 0 | 111.6 | V260 L263 E264 G305 M306 E307 R312 H313 | V260-L309 HydrophobicContact CG1-CD1 3.75Å; L263-L309 HydrophobicContact CB-CD1 4.06Å; E264-L309 HydrophobicContact CG-CD1 4.04Å; E264-L309 HydrophobicContact CG-CD2 4.1Å; G305-L309 PolarHBondContact O-N 2.85Å; M306-L309 PolarHBondContact O-N 3.04Å; M306-L309 VanDerWaalsContact O-N 3.13Å; E307-L309 VanDerWaalsContact C-N 3.26Å; E307-L309 PolarHBondContact O-N 2.58Å; L309-R312 PolarHBondContact O-N 2.94Å; L309-H313 WeakPolarHBondContact O-CB 3.45Å; L309-H313 PolarHBondContact O-CD2 3.17Å; L309-H313 PolarHBondContact O-N 3.31Å |
| 310 | V | 87.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 176.8 | -180 | 0 | 0 | 0 | 0 | 110.7 | M306 E307 R312 H313 L314 L327 Y330 E331 | M306-V310 HydrophobicContact CG-CG2 4.08Å; M306-V310 WeakPolarHBondContact O-CG2 3.44Å; M306-V310 PolarHBondContact O-N 2.97Å; M306-V310 HydrophobicContact SD-CG2 3.94Å; E307-V310 PolarHBondContact O-N 3Å; V310-R312 PolarHBondContact O-N 2.96Å; V310-H313 PolarHBondContact O-N 3.2Å; V310-L314 HydrophobicContact CG1-CD1 3.67Å; V310-L314 HydrophobicContact CG1-CG 4.16Å; V310-L314 VanDerWaalsContact O-CB 3.31Å; V310-L314 WeakPolarHBondContact O-CB 3.2Å; V310-L314 VanDerWaalsContact O-CG 3.27Å; V310-L314 WeakPolarHBondContact O-CG 3.49Å; V310-L314 PolarHBondContact O-N 3.01Å; V310-L327 HydrophobicContact CB-CD2 4.37Å; V310-L327 HydrophobicContact CG1-CB 4.33Å; V310-L327 HydrophobicContact CG1-CD2 4.21Å; V310-L327 HydrophobicContact CG2-CD2 3.91Å; V310-Y330 HydrophobicContact CG2-CD1 4.25Å; V310-E331 HydrophobicContact CG1-CG 3.96Å; V310-E331 VanDerWaalsContact CG1-OE1 3.23Å; V310-E331 WeakPolarHBondContact CG1-OE1 3.49Å |
| 311 | Q | 86.8 | Confident | 85 | Confident | 110 Ų | 110 | 54.6 Ų | 54.6 | 51% | 0.514 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.8 | -48.4 | 174.7 | -71.9 | -76.2 | -30.4 | 0 | 0 | 111.7 | E307 L314 G315 | E307-Q311 HydrophobicContact CG-CG 4.12Å; E307-Q311 VanDerWaalsContact O-CB 3.3Å; E307-Q311 WeakPolarHBondContact O-CB 3.44Å; E307-Q311 WeakPolarHBondContact O-CG 3.5Å; E307-Q311 PolarHBondContact O-N 3.34Å; Q311-L314 PolarHBondContact O-N 2.88Å; Q311-G315 PolarHBondContact O-N 3.16Å |
| 312 | R | 86.1 | Confident | 84.7 | Confident | 90 Ų | 90 | 58 Ų | 58 | 34% | 0.34 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 179.7 | 178 | -179.5 | 172.9 | -135.8 | -6.4 | 112.3 | E264 K266 A308 L309 V310 G315 T316 | E264-R312 PolarHBondContact O-NH1 3.25Å; K266-R312 PolarHBondContact O-NH2 2.93Å; A308-R312 WeakPolarHBondContact O-CB 3.42Å; A308-R312 PolarHBondContact O-N 3.01Å; L309-R312 PolarHBondContact O-N 2.94Å; V310-R312 PolarHBondContact O-N 2.96Å; R312-G315 PolarHBondContact O-N 3Å; R312-T316 WeakPolarHBondContact O-CB 3.49Å; R312-T316 PolarHBondContact O-N 3.29Å; R312-T316 PolarHBondContact O-OG1 3.3Å |
| 313 | H | 85 | Confident | 84.7 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.5 | -35.5 | -179.1 | -74.3 | -62.1 | 0 | 0 | 0 | 112.2 | L263 L309 V310 T319 L327 | L263-H313 PolarHBondContact O-NE2 3.21Å; L309-H313 WeakPolarHBondContact O-CB 3.45Å; L309-H313 PolarHBondContact O-CD2 3.17Å; L309-H313 PolarHBondContact O-N 3.31Å; V310-H313 PolarHBondContact O-N 3.2Å; H313-T319 WeakPolarHBondContact O-CB 3.22Å; H313-T319 WeakPolarHBondContact O-CG2 3.42Å; H313-T319 PolarHBondContact O-OG1 2.93Å; H313-L327 HydrophobicContact CB-CD1 3.5Å |
| 314 | L | 85.4 | Confident | 84.6 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 19% | 0.188 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -73.1 | -31.1 | 174.6 | -69.2 | 179.5 | 0 | 0 | 0 | 113.6 | V310 Q311 R324 L327 V328 E331 | V310-L314 HydrophobicContact CG1-CD1 3.67Å; V310-L314 HydrophobicContact CG1-CG 4.16Å; V310-L314 VanDerWaalsContact O-CB 3.31Å; V310-L314 WeakPolarHBondContact O-CB 3.2Å; V310-L314 VanDerWaalsContact O-CG 3.27Å; V310-L314 WeakPolarHBondContact O-CG 3.49Å; V310-L314 PolarHBondContact O-N 3.01Å; Q311-L314 PolarHBondContact O-N 2.88Å; L314-R324 HydrophobicContact CD2-CG 3.84Å; L314-R324 PolarHBondContact O-NH1 3.44Å; L314-R324 PolarHBondContact O-NH2 3.12Å; L314-L327 HydrophobicContact CD2-CB 3.82Å; L314-L327 HydrophobicContact CD2-CD1 4.28Å; L314-L327 HydrophobicContact CG-CB 4.18Å; L314-L327 HydrophobicContact CG-CD1 4.45Å; L314-V328 HydrophobicContact CD2-CG2 4.07Å; L314-E331 HydrophobicContact CD1-CG 4.39Å |
| 315 | G | 79.9 | Confident | 84.4 | Confident | 68 Ų | 68 | 56.7 Ų | 56.7 | 70% | 0.701 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -84.6 | -16.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q311 R312 | Q311-G315 PolarHBondContact O-N 3.16Å; R312-G315 PolarHBondContact O-N 3Å |
| 316 | T | 83.6 | Confident | 84.6 | Confident | 72 Ų | 72 | 55.5 Ų | 55.5 | 44% | 0.442 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -74.5 | 129 | 178.9 | -64 | 0 | 0 | 0 | 0 | 111 | R312 T319 | R312-T316 WeakPolarHBondContact O-CB 3.49Å; R312-T316 PolarHBondContact O-N 3.29Å; R312-T316 PolarHBondContact O-OG1 3.3Å; T316-T319 PolarHBondContact O-OG1 3Å; T316-T319 VanDerWaalsContact O-OG1 3.09Å |
| 317 | A | 68.6 | Low | 84.6 | Confident | 102 Ų | 102 | 55.5 Ų | 55.5 | 84% | 0.843 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 124.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 318 | G | 72.9 | Confident | 84.6 | Confident | 83 Ų | 83 | 56.2 Ų | 56.2 | 86% | 0.856 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.6 | 4.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 319 | T | 79.7 | Confident | 84.7 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 17% | 0.172 | 33% | 0.329 | C | S | . | . | trans | -58.1 | 139.3 | 169.3 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | H313 T316 L323 | H313-T319 WeakPolarHBondContact O-CB 3.22Å; H313-T319 WeakPolarHBondContact O-CG2 3.42Å; H313-T319 PolarHBondContact O-OG1 2.93Å; T316-T319 PolarHBondContact O-OG1 3Å; T316-T319 VanDerWaalsContact O-OG1 3.09Å; T319-L323 HydrophobicContact CG2-CD2 3.89Å; T319-L323 HydrophobicContact CG2-CG 4.22Å | ||
| 320 | D | 84.7 | Confident | 84.8 | Confident | 62 Ų | 62 | 53.4 Ų | 53.4 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | trans | -56 | 149 | 178.1 | 173.9 | -102.9 | 0 | 0 | 0 | 113.7 | P271 D322 L323 R324 | P271-D320 HydrophobicContact CB-CB 4.2Å; D320-D322 WeakPolarHBondContact OD1-CA 3.49Å; D320-D322 WeakPolarHBondContact OD1-CB 3.22Å; D320-D322 PolarHBondContact OD1-N 3.28Å; D320-L323 HydrophobicContact CB-CB 4.05Å; D320-L323 PolarHBondContact OD1-N 3.49Å; D320-R324 VanDerWaalsContact O-CB 3.22Å; D320-R324 WeakPolarHBondContact O-CB 3.29Å; D320-R324 PolarHBondContact O-N 3.43Å | ||
| 321 | V | 86.1 | Confident | 84.8 | Confident | 103 Ų | 103 | 54.7 Ų | 54.7 | 62% | 0.624 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -74 | -40.2 | -173.5 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | T325 | V321-T325 WeakPolarHBondContact O-CB 3.2Å; V321-T325 PolarHBondContact O-N 2.84Å; V321-T325 PolarHBondContact O-OG1 3.02Å |
| 322 | D | 85.9 | Confident | 84.8 | Confident | 72 Ų | 72 | 53 Ų | 53 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.7 | -40.9 | 177.9 | -72.2 | -11 | 0 | 0 | 0 | 109.4 | V275 D320 T325 Q326 | V275-D322 HydrophobicContact CG1-CB 4.41Å; V275-D322 HydrophobicContact CG2-CB 4.06Å; D320-D322 WeakPolarHBondContact OD1-CA 3.49Å; D320-D322 WeakPolarHBondContact OD1-CB 3.22Å; D320-D322 PolarHBondContact OD1-N 3.28Å; D322-T325 WeakPolarHBondContact O-CB 3.48Å; D322-T325 PolarHBondContact O-N 3.23Å; D322-Q326 WeakPolarHBondContact O-CG 3.38Å; D322-Q326 PolarHBondContact O-N 3.2Å |
| 323 | L | 87.9 | Confident | 84.8 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.5 | -48.4 | 173.6 | 179.3 | 57.6 | 0 | 0 | 0 | 111.6 | L274 V275 V278 T319 D320 T325 Q326 L327 | L274-L323 HydrophobicContact CB-CD1 3.77Å; L274-L323 HydrophobicContact CB-CD2 3.73Å; L274-L323 HydrophobicContact CB-CG 4.36Å; L274-L323 HydrophobicContact CD1-CD2 3.63Å; L274-L323 HydrophobicContact CG-CD2 4.33Å; V275-L323 HydrophobicContact CG2-CB 3.8Å; V278-L323 HydrophobicContact CG2-CD1 3.96Å; T319-L323 HydrophobicContact CG2-CD2 3.89Å; T319-L323 HydrophobicContact CG2-CG 4.22Å; D320-L323 HydrophobicContact CB-CB 4.05Å; D320-L323 PolarHBondContact OD1-N 3.49Å; L323-T325 PolarHBondContact O-N 3.11Å; L323-Q326 PolarHBondContact O-N 2.7Å; L323-L327 HydrophobicContact CD1-CD1 4.03Å; L323-L327 HydrophobicContact CD1-CG 4.15Å; L323-L327 HydrophobicContact CG-CD1 3.92Å; L323-L327 HydrophobicContact CG-CG 4.49Å; L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.41Å; L323-L327 PolarHBondContact O-N 3.34Å |
| 324 | R | 87.1 | Confident | 84.8 | Confident | 115 Ų | 115 | 49.1 Ų | 49.1 | 43% | 0.434 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.9 | -38.7 | 176 | -172 | -179.9 | -170.4 | 81.2 | 6.9 | 111.4 | L314 D320 V328 | L314-R324 HydrophobicContact CD2-CG 3.84Å; L314-R324 PolarHBondContact O-NH1 3.44Å; L314-R324 PolarHBondContact O-NH2 3.12Å; D320-R324 VanDerWaalsContact O-CB 3.22Å; D320-R324 WeakPolarHBondContact O-CB 3.29Å; D320-R324 PolarHBondContact O-N 3.43Å; R324-V328 VanDerWaalsContact O-CG2 3.32Å; R324-V328 WeakPolarHBondContact O-CG2 3.47Å; R324-V328 PolarHBondContact O-N 3.18Å |
| 325 | T | 88.6 | Confident | 84.6 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.7 | -44.3 | 178.2 | -59 | 0 | 0 | 0 | 0 | 111.8 | V321 D322 L323 V328 L329 | V321-T325 WeakPolarHBondContact O-CB 3.2Å; V321-T325 PolarHBondContact O-N 2.84Å; V321-T325 PolarHBondContact O-OG1 3.02Å; D322-T325 WeakPolarHBondContact O-CB 3.48Å; D322-T325 PolarHBondContact O-N 3.23Å; L323-T325 PolarHBondContact O-N 3.11Å; T325-V328 PolarHBondContact O-N 2.82Å; T325-L329 PolarHBondContact O-N 3.41Å |
| 326 | Q | 88.9 | Confident | 84.6 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.028 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.6 | -36 | 177 | -67.9 | -65.2 | -17.8 | 0 | 0 | 112.4 | V278 N282 D322 L323 L329 Y330 T1142 | V278-Q326 HydrophobicContact CB-CB 4.08Å; V278-Q326 HydrophobicContact CG1-CB 3.77Å; N282-Q326 PolarHBondContact ND2-O 2.67Å; N282-Q326 PolarHBondContact ND2-OE1 2.86Å; D322-Q326 WeakPolarHBondContact O-CG 3.38Å; D322-Q326 PolarHBondContact O-N 3.2Å; L323-Q326 PolarHBondContact O-N 2.7Å; Q326-L329 WeakPolarHBondContact O-CB 3.34Å; Q326-L329 PolarHBondContact O-N 3.4Å; Q326-Y330 PolarHBondContact O-N 2.9Å; Q326-Y330 VanDerWaalsContact O-N 3.13Å; Q326-T1142 PolarHBondContact NE2-O 3.46Å; Q326-T1142 VanDerWaalsContact NE2-O 3.16Å |
| 327 | L | 89.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 173.6 | -69.3 | 168.3 | 0 | 0 | 0 | 112.3 | V278 V310 H313 L314 L323 L329 Y330 E331 | V278-L327 HydrophobicContact CG1-CD2 4.18Å; V278-L327 HydrophobicContact CG2-CD2 3.95Å; V278-L327 HydrophobicContact CG2-CG 4.5Å; V310-L327 HydrophobicContact CB-CD2 4.37Å; V310-L327 HydrophobicContact CG1-CB 4.33Å; V310-L327 HydrophobicContact CG1-CD2 4.21Å; V310-L327 HydrophobicContact CG2-CD2 3.91Å; H313-L327 HydrophobicContact CB-CD1 3.5Å; L314-L327 HydrophobicContact CD2-CB 3.82Å; L314-L327 HydrophobicContact CD2-CD1 4.28Å; L314-L327 HydrophobicContact CG-CB 4.18Å; L314-L327 HydrophobicContact CG-CD1 4.45Å; L323-L327 HydrophobicContact CD1-CD1 4.03Å; L323-L327 HydrophobicContact CD1-CG 4.15Å; L323-L327 HydrophobicContact CG-CD1 3.92Å; L323-L327 HydrophobicContact CG-CG 4.49Å; L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.41Å; L323-L327 PolarHBondContact O-N 3.34Å; L327-L329 VanDerWaalsContact C-N 3.32Å; L327-L329 PolarHBondContact O-N 3.01Å; L327-Y330 WeakPolarHBondContact O-CB 3.36Å; L327-Y330 PolarHBondContact O-N 3.41Å; L327-E331 PolarHBondContact O-N 2.88Å; L327-E331 VanDerWaalsContact O-N 3.17Å |
| 328 | V | 88.4 | Confident | 85 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 38% | 0.376 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.3 | -33.8 | 173.7 | 167.7 | 0 | 0 | 0 | 0 | 111.8 | L314 R324 T325 E331 N332 | L314-V328 HydrophobicContact CD2-CG2 4.07Å; R324-V328 VanDerWaalsContact O-CG2 3.32Å; R324-V328 WeakPolarHBondContact O-CG2 3.47Å; R324-V328 PolarHBondContact O-N 3.18Å; T325-V328 PolarHBondContact O-N 2.82Å; V328-E331 PolarHBondContact O-N 2.73Å; V328-N332 WeakPolarHBondContact O-CB 3.26Å; V328-N332 PolarHBondContact O-N 3.21Å; V328-N332 PolarHBondContact O-ND2 3.04Å |
| 329 | L | 87.5 | Confident | 84.6 | Confident | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 172.6 | -88.8 | 166.2 | 0 | 0 | 0 | 112.4 | T325 Q326 L327 N332 A333 P1146 L1149 | T325-L329 PolarHBondContact O-N 3.41Å; Q326-L329 WeakPolarHBondContact O-CB 3.34Å; Q326-L329 PolarHBondContact O-N 3.4Å; L327-L329 VanDerWaalsContact C-N 3.32Å; L327-L329 PolarHBondContact O-N 3.01Å; L329-N332 PolarHBondContact O-N 3.47Å; L329-A333 WeakPolarHBondContact O-CB 3.48Å; L329-A333 PolarHBondContact O-N 2.64Å; L329-P1146 HydrophobicContact CD1-CB 4.15Å; L329-P1146 HydrophobicContact CD2-CB 3.71Å; L329-P1146 HydrophobicContact CG-CB 4.13Å; L329-L1149 HydrophobicContact CD1-CD1 3.97Å; L329-L1149 HydrophobicContact CD2-CB 4.46Å |
| 330 | Y | 90.1 | Very high | 83.5 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 175.7 | -176.5 | -92.5 | 0 | 0 | 0 | 111.7 | I281 N282 L285 L301 E302 M306 V310 Q326 L327 N332 A333 L334 | I281-Y330 HydrophobicContact CG2-CD2 4.1Å; I281-Y330 HydrophobicContact CG2-CE2 3.91Å; N282-Y330 WeakPolarHBondContact OD1-CB 3.38Å; L285-Y330 HydrophobicContact CD1-CD2 4.06Å; L285-Y330 HydrophobicContact CD1-CE2 3.77Å; L301-Y330 HydrophobicContact CD1-CE2 4.23Å; E302-Y330 PolarHBondContact OE1-OH 2.95Å; M306-Y330 HydrophobicContact CG-CE1 3.96Å; V310-Y330 HydrophobicContact CG2-CD1 4.25Å; Q326-Y330 PolarHBondContact O-N 2.9Å; Q326-Y330 VanDerWaalsContact O-N 3.13Å; L327-Y330 WeakPolarHBondContact O-CB 3.36Å; L327-Y330 PolarHBondContact O-N 3.41Å; Y330-N332 VanDerWaalsContact C-N 3.32Å; Y330-N332 PolarHBondContact O-N 3.41Å; Y330-A333 PolarHBondContact O-N 2.94Å; Y330-L334 HydrophobicContact CD1-CD1 3.98Å; Y330-L334 HydrophobicContact CE1-CD1 3.49Å; Y330-L334 VanDerWaalsContact CE1-CD1 3.49Å; Y330-L334 HydrophobicContact CE1-CG 4.33Å; Y330-L334 PolarHBondContact O-N 3.06Å; Y330-L334 VanDerWaalsContact O-N 3.13Å |
| 331 | E | 88.7 | Confident | 81.6 | Confident | 28 Ų | 28 | 50.2 Ų | 50.2 | 13% | 0.131 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.5 | -40.3 | 176 | -70.2 | -62.5 | 135.5 | 0 | 0 | 113.1 | V310 L314 L327 V328 K335 R1165 | V310-E331 HydrophobicContact CG1-CG 3.96Å; V310-E331 VanDerWaalsContact CG1-OE1 3.23Å; V310-E331 WeakPolarHBondContact CG1-OE1 3.49Å; L314-E331 HydrophobicContact CD1-CG 4.39Å; L327-E331 PolarHBondContact O-N 2.88Å; L327-E331 VanDerWaalsContact O-N 3.17Å; V328-E331 PolarHBondContact O-N 2.73Å; E331-K335 VanDerWaalsContact O-CG 3.31Å; E331-K335 WeakPolarHBondContact O-CG 3.42Å; E331-K335 PolarHBondContact O-N 2.87Å; E331-K335 VanDerWaalsContact O-N 3.15Å; E331-R1165 VanDerWaalsContact CD-NH1 3.35Å; E331-R1165 IonicContact OE1-CZ 2.66Å; E331-R1165 IonicContact OE1-NH1 3.89Å; E331-R1165 PolarHBondContact OE1-NH1 3.43Å; E331-R1165 IonicContact OE1-NH2 2.78Å; E331-R1165 IonicContact OE2-NH1 3.7Å; E331-R1165 PolarHBondContact OE2-NH1 2.68Å |
| 332 | N | 86.4 | Confident | 79.4 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -73.5 | -34.4 | -179.3 | -70.7 | -18.2 | 0 | 0 | 0 | 112.2 | V328 L329 Y330 L336 | V328-N332 WeakPolarHBondContact O-CB 3.26Å; V328-N332 PolarHBondContact O-N 3.21Å; V328-N332 PolarHBondContact O-ND2 3.04Å; L329-N332 PolarHBondContact O-N 3.47Å; Y330-N332 VanDerWaalsContact C-N 3.32Å; Y330-N332 PolarHBondContact O-N 3.41Å; N332-L336 VanDerWaalsContact O-CB 3.31Å; N332-L336 WeakPolarHBondContact O-CB 3.4Å; N332-L336 PolarHBondContact O-N 3.46Å |
| 333 | A | 85.3 | Confident | 76.8 | Confident | 23 Ų | 23 | 59.5 Ų | 59.5 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L329 Y330 E337 | L329-A333 WeakPolarHBondContact O-CB 3.48Å; L329-A333 PolarHBondContact O-N 2.64Å; Y330-A333 PolarHBondContact O-N 2.94Å; A333-E337 PolarHBondContact O-N 3.31Å |
| 334 | L | 85 | Confident | 74 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.5 | -52.4 | 173.6 | -75.2 | 173.8 | 0 | 0 | 0 | 111.9 | F294 T298 Y330 L336 E337 D338 | F294-L334 HydrophobicContact CE1-CD2 4.24Å; F294-L334 HydrophobicContact CZ-CD2 4.25Å; T298-L334 HydrophobicContact CG2-CD2 3.74Å; Y330-L334 HydrophobicContact CD1-CD1 3.98Å; Y330-L334 HydrophobicContact CE1-CD1 3.49Å; Y330-L334 VanDerWaalsContact CE1-CD1 3.49Å; Y330-L334 HydrophobicContact CE1-CG 4.33Å; Y330-L334 PolarHBondContact O-N 3.06Å; Y330-L334 VanDerWaalsContact O-N 3.13Å; L334-L336 VanDerWaalsContact C-N 3.3Å; L334-L336 PolarHBondContact O-N 2.92Å; L334-E337 PolarHBondContact O-N 3.34Å; L334-D338 PolarHBondContact O-N 2.98Å |
| 335 | K | 82.1 | Confident | 71.4 | Confident | 103 Ų | 103 | 64.6 Ų | 64.6 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.7 | -37.2 | -178.7 | -70.3 | 167.7 | -171.6 | 172.2 | 0 | 113.2 | E331 G339 D340 | E331-K335 VanDerWaalsContact O-CG 3.31Å; E331-K335 WeakPolarHBondContact O-CG 3.42Å; E331-K335 PolarHBondContact O-N 2.87Å; E331-K335 VanDerWaalsContact O-N 3.15Å; K335-G339 PolarHBondContact O-N 3.26Å; K335-D340 PolarHBondContact O-N 3.24Å |
| 336 | L | 80.8 | Confident | 68.6 | Low | 77 Ų | 77 | 65.3 Ų | 65.3 | 40% | 0.403 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 177.7 | -178.8 | 65.1 | 0 | 0 | 0 | 111.6 | N332 L334 G339 I341 A1150 | N332-L336 VanDerWaalsContact O-CB 3.31Å; N332-L336 WeakPolarHBondContact O-CB 3.4Å; N332-L336 PolarHBondContact O-N 3.46Å; L334-L336 VanDerWaalsContact C-N 3.3Å; L334-L336 PolarHBondContact O-N 2.92Å; L336-G339 PolarHBondContact O-N 3.03Å; L336-I341 HydrophobicContact CD1-CD1 4.24Å; L336-A1150 HydrophobicContact CD2-CB 4.36Å; L336-A1150 WeakPolarHBondContact CD2-O 3.46Å |
| 337 | E | 81.1 | Confident | 65.7 | Low | 24 Ų | 24 | 69.9 Ų | 69.9 | 11% | 0.112 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -75.7 | -35.2 | -178.4 | -157.7 | 70 | -157 | 0 | 0 | 112.4 | Q291 F294 Y295 A333 L334 G339 R1154 | Q291-E337 WeakPolarHBondContact CB-OE1 3.48Å; Q291-E337 VanDerWaalsContact CD-OE1 3.25Å; Q291-E337 HydrophobicContact CG-CG 4.03Å; Q291-E337 WeakPolarHBondContact CG-OE1 3.3Å; Q291-E337 PolarHBondContact NE2-O 2.84Å; Q291-E337 PolarHBondContact NE2-OE1 3.44Å; F294-E337 HydrophobicContact CD1-CB 4.26Å; F294-E337 HydrophobicContact CD1-CG 3.79Å; F294-E337 HydrophobicContact CE1-CB 3.76Å; F294-E337 HydrophobicContact CE1-CG 3.83Å; F294-E337 HydrophobicContact CZ-CB 4.33Å; Y295-E337 HydrophobicContact CE1-CG 4.48Å; Y295-E337 PolarHBondContact OH-O 3.16Å; A333-E337 PolarHBondContact O-N 3.31Å; L334-E337 PolarHBondContact O-N 3.34Å; E337-G339 PolarHBondContact O-N 3.06Å; E337-R1154 IonicContact OE2-CZ 2.7Å; E337-R1154 IonicContact OE2-NH1 2.98Å; E337-R1154 PolarHBondContact OE2-NH1 2.94Å |
| 338 | D | 78.4 | Confident | 62.8 | Low | 21 Ų | 21 | 74.1 Ų | 74.1 | 11% | 0.112 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -68.3 | -18.3 | 168.2 | -90.7 | -47.5 | 0 | 0 | 0 | 112.2 | L334 K1162 S1163 R1166 | L334-D338 PolarHBondContact O-N 2.98Å; D338-K1162 WeakPolarHBondContact OD1-CA 3.3Å; D338-K1162 WeakPolarHBondContact OD1-CB 3.16Å; D338-S1163 PolarHBondContact OD1-N 2.99Å; D338-S1163 VanDerWaalsContact OD2-CB 3.25Å; D338-S1163 WeakPolarHBondContact OD2-CB 3.45Å; D338-S1163 PolarHBondContact OD2-OG 3Å; D338-R1166 PolarHBondContact O-NH1 3.38Å; D338-R1166 WeakPolarHBondContact OD1-CD 3.49Å |
| 339 | G | 65.5 | Low | 59.9 | Low | 49 Ų | 49 | 74.4 Ų | 74.4 | 51% | 0.505 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 17.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K335 L336 E337 I341 | K335-G339 PolarHBondContact O-N 3.26Å; L336-G339 PolarHBondContact O-N 3.03Å; E337-G339 PolarHBondContact O-N 3.06Å; G339-I341 VanDerWaalsContact C-N 3.34Å; G339-I341 PolarHBondContact O-N 2.75Å; G339-I341 VanDerWaalsContact O-N 3.08Å |
| 340 | D | 56.2 | Low | 57.2 | Low | 81 Ų | 81 | 84.5 Ų | 84.5 | 43% | 0.433 | 52% | 0.519 | S | S | . | . | trans | -86.5 | 73.7 | -178.5 | -75.1 | -21.5 | 0 | 0 | 0 | 111.3 | K335 R1166 | K335-D340 PolarHBondContact O-N 3.24Å; D340-R1166 VanDerWaalsContact CG-NH2 3.3Å; D340-R1166 IonicContact OD1-CZ 2.71Å; D340-R1166 IonicContact OD1-NE 3.25Å; D340-R1166 IonicContact OD1-NH1 2.81Å; D340-R1166 PolarHBondContact OD1-NH1 3.17Å; D340-R1166 IonicContact OD1-NH2 3.79Å; D340-R1166 PolarHBondContact OD1-NH2 3.45Å; D340-R1166 WeakPolarHBondContact OD2-CD 3.46Å; D340-R1166 IonicContact OD2-CZ 3.2Å; D340-R1166 IonicContact OD2-NE 2.76Å; D340-R1166 PolarHBondContact OD2-NE 2.87Å; D340-R1166 VanDerWaalsContact OD2-NE 3.09Å; D340-R1166 IonicContact OD2-NH1 2.56Å; D340-R1166 PolarHBondContact OD2-NH1 3.28Å; D340-R1166 IonicContact OD2-NH2 3.91Å; D340-R1166 PolarHBondContact OD2-NH2 3.04Å | ||
| 341 | I | 44.9 | Very low | 54.2 | Low | 119 Ų | 119 | 95.9 Ų | 95.9 | 61% | 0.61 | 56% | 0.562 | S | S | * | * | trans | -103.2 | 104.7 | 174.6 | -57 | 176 | 0 | 0 | 0 | 109.3 | L336 G339 | L336-I341 HydrophobicContact CD1-CD1 4.24Å; G339-I341 VanDerWaalsContact C-N 3.34Å; G339-I341 PolarHBondContact O-N 2.75Å; G339-I341 VanDerWaalsContact O-N 3.08Å | ||
| 342 | E | 39.5 | Very low | 51.3 | Low | 188 Ų | 188 | 101.2 Ų | 101.2 | 88% | 0.879 | 59% | 0.587 | S | S | * | * | trans | -74.3 | 135.2 | 147.9 | -76.4 | -152.4 | 128.1 | 0 | 0 | 108.9 | A344 | E342-A344 PolarHBondContact O-N 3.03Å; E342-A344 VanDerWaalsContact O-N 3.08Å | ||
| 343 | E | 32.1 | Very low | 48.4 | Very low | 181 Ų | 181 | 108.5 Ų | 108.5 | 85% | 0.846 | 61% | 0.609 | S | S | * | * | trans | -71.9 | 101.4 | 175.9 | -70.4 | -168.2 | 125.9 | 0 | 0 | 110.7 | P345 | E343-P345 WeakPolarHBondContact O-CD 3.36Š| ||
| 344 | A | 28.3 | Very low | 45.6 | Very low | 92 Ų | 92 | 118 Ų | 118 | 76% | 0.76 | 64% | 0.64 | S | S | * | * | trans | -60.1 | 120.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | E342 G346 | E342-A344 PolarHBondContact O-N 3.03Å; E342-A344 VanDerWaalsContact O-N 3.08Å; A344-G346 PolarHBondContact O-N 2.92Å; A344-G346 VanDerWaalsContact O-N 3.08Å | ||
| 345 | P | 31.8 | Very low | 42.8 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -78 | 100.8 | -165.2 | 28.9 | -35.3 | 0 | 0 | 0 | 112.1 | E343 | E343-P345 WeakPolarHBondContact O-CD 3.36Š|
| 346 | G | 29.7 | Very low | 40.1 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | trans | 173 | 37.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | A344 | A344-G346 PolarHBondContact O-N 2.92Å; A344-G346 VanDerWaalsContact O-N 3.08Å | ||
| 347 | A | 27.9 | Very low | 37.3 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | trans | -170.6 | 114.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 113 | G349 | A347-G349 PolarHBondContact O-N 3.34Š| ||
| 348 | G | 28.8 | Very low | 34.6 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 96% | 0.959 | 75% | 0.746 | S | S | * | * | trans | -77 | 117.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 349 | G | 28.7 | Very low | 32.1 | Very low | 68 Ų | 68 | 141.2 Ų | 141.2 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -144.2 | 79.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A347 R351 | A347-G349 PolarHBondContact O-N 3.34Å; G349-R351 PolarHBondContact O-N 2.8Å | ||
| 350 | R | 29.2 | Very low | 30.2 | Very low | 228 Ų | 228 | 146.8 Ų | 146.8 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -57.7 | 95.4 | -171.8 | -174.8 | -175.6 | -178.1 | -167.7 | -0.9 | 113.9 | ||||
| 351 | R | 28.2 | Very low | 28.7 | Very low | 244 Ų | 244 | 146.2 Ų | 146.2 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -79.2 | 118.9 | 164.5 | -87.5 | -171.4 | 169.4 | -168.1 | -2.4 | 110.7 | G349 | G349-R351 PolarHBondContact O-N 2.8Š| ||
| 352 | E | 27.1 | Very low | 27.9 | Very low | 139 Ų | 139 | 149 Ų | 149 | 65% | 0.65 | 82% | 0.815 | S | S | * | * | trans | -86.1 | 129 | 179 | -169.8 | 165.4 | -112.7 | 0 | 0 | 112 | R354 | E352-R354 PolarHBondContact O-N 3.07Š| ||
| 353 | R | 25.9 | Very low | 27.3 | Very low | 229 Ų | 229 | 151.6 Ų | 151.6 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -92.3 | 97.2 | -167.6 | -176.7 | -176.6 | -176.5 | 176.3 | 3.8 | 112.1 | ||||
| 354 | R | 27.4 | Very low | 26.9 | Very low | 222 Ų | 222 | 148.1 Ų | 148.1 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 127 | 167.9 | -67 | -173.9 | -178.7 | 176 | 1.9 | 110.9 | E352 | E352-R354 PolarHBondContact O-N 3.07Š|
| 355 | K | 25.9 | Very low | 26.8 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -85 | 145.6 | 173.3 | -79.9 | -177.3 | 175 | -179.5 | 0 | 110.6 | ||
| 356 | P | 25 | Very low | 26.5 | Very low | 128 Ų | 128 | 156.3 Ų | 156.3 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 150.1 | 140 | 34.6 | -30.5 | 0 | 0 | 0 | 110.1 | ||
| 357 | S | 21.5 | Very low | 26.3 | Very low | 114 Ų | 114 | 156.8 Ų | 156.8 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -146.3 | 130.8 | 174.7 | 55.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 358 | S | 25 | Very low | 26.3 | Very low | 122 Ų | 122 | 158.5 Ų | 158.5 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -130.3 | 149.3 | 159.4 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 359 | E | 26.5 | Very low | 26.2 | Very low | 182 Ų | 182 | 162.2 Ų | 162.2 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -74.3 | 169.5 | 165.5 | -59.9 | -174.7 | 96.6 | 0 | 0 | 109.1 | ||||
| 360 | E | 24.6 | Very low | 26 | Very low | 167 Ų | 167 | 162.8 Ų | 162.8 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | cis | -121.8 | 170.5 | 15.3 | -62.5 | -179.2 | 79.3 | 0 | 0 | 110.8 | K362 | E360-K362 IonicContact OE1-NZ 2.62Š| ||
| 361 | G | 25.8 | Very low | 25.9 | Very low | 68 Ų | 68 | 155.9 Ų | 155.9 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | 91.1 | 128.6 | 40.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 362 | K | 26.7 | Very low | 25.7 | Very low | 179 Ų | 179 | 148 Ų | 148 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | cis | -151.5 | 155.7 | 10.8 | -71.4 | 166.6 | 177.2 | 101.2 | 0 | 111.7 | E360 | E360-K362 IonicContact OE1-NZ 2.62Š| ||
| 363 | R | 26.5 | Very low | 25.5 | Very low | 241 Ų | 241 | 147.4 Ų | 147.4 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | 9.9 | 137.2 | 150.7 | -58.5 | 173.4 | 177.9 | 173.8 | -2 | 117.9 | ||||
| 364 | S | 24.4 | Very low | 26.6 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | -176.8 | 168.8 | 67.3 | -141.7 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 365 | R | 26.2 | Very low | 26.6 | Very low | 191 Ų | 191 | 136 Ų | 136 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | cis | -170.6 | 135.7 | 26 | -156.1 | 178.3 | -156.4 | 173.9 | 5 | 109.9 | ||||
| 366 | R | 26.2 | Very low | 26.5 | Very low | 210 Ų | 210 | 139.5 Ų | 139.5 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | 49.7 | 149.4 | 146.3 | -68 | 178 | -156.8 | 172.5 | 2.1 | 120.7 | ||||
| 367 | S | 25 | Very low | 26.7 | Very low | 85 Ų | 85 | 137.6 Ų | 137.6 | 59% | 0.594 | 79% | 0.79 | S | S | * | * | cis | -163.9 | 162.2 | 5.9 | -115.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 368 | L | 27.4 | Very low | 27.6 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | trans | 33.6 | 139.5 | 136.1 | -54.3 | 168.6 | 0 | 0 | 0 | 119.9 | ||||
| 369 | E | 25.9 | Very low | 27.7 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | cis | -148.6 | 154.4 | 2.7 | -104.7 | 151.2 | 141.1 | 0 | 0 | 107.5 | ||||
| 370 | G | 26.4 | Very low | 28.6 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | 78.1 | 115.5 | 73.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 371 | G | 26.1 | Very low | 28.6 | Very low | 84 Ų | 84 | 132.3 Ų | 132.3 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | cis | 172.5 | 177.7 | -3.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 372 | G | 25.2 | Very low | 29.9 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | 123.8 | 125.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 373 | C | 22.4 | Very low | 30 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -116.5 | -174.9 | 162.4 | -60.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 374 | P | 48 | Very low | 29.8 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | cis | -148.3 | 179.6 | 12 | 44.5 | -24.7 | 0 | 0 | 0 | 118.9 | ||||
| 375 | A | 27.2 | Very low | 31.3 | Very low | 95 Ų | 95 | 126.6 Ų | 126.6 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 70.8 | 161.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 376 | R | 24.5 | Very low | 31.3 | Very low | 246 Ų | 246 | 122.1 Ų | 122.1 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | cis | -153.2 | 161 | 14.2 | -160.5 | 171.8 | -179.7 | 166.8 | -1.7 | 112 | ||||
| 377 | A | 28.6 | Very low | 31.6 | Very low | 87 Ų | 87 | 117.6 Ų | 117.6 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -81.6 | -177.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 378 | P | 40.7 | Very low | 32.9 | Very low | 126 Ų | 126 | 119 Ų | 119 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -150.3 | -174.9 | 33.4 | 44.7 | -22.2 | 0 | 0 | 0 | 120.3 | ||||
| 379 | E | 28.1 | Very low | 33.2 | Very low | 167 Ų | 167 | 119.6 Ų | 119.6 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -51.7 | 177.1 | 161.6 | -78.3 | -77.8 | 128.1 | 0 | 0 | 116.5 | ||||
| 380 | P | 44.4 | Very low | 33.6 | Very low | 117 Ų | 117 | 114.6 Ų | 114.6 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | cis | -139.5 | -176.2 | 14.6 | 40.1 | -18.9 | 0 | 0 | 0 | 119 | ||||
| 381 | G | 23.9 | Very low | 34.8 | Very low | 64 Ų | 64 | 116.3 Ų | 116.3 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | trans | -86.1 | -144.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 382 | P | 55.1 | Low | 35.3 | Very low | 119 Ų | 119 | 118.6 Ų | 118.6 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | cis | -139.3 | -177.1 | -3.7 | 44.4 | -27.1 | 0 | 0 | 0 | 116.2 | ||||
| 383 | T | 26.9 | Very low | 36 | Very low | 153 Ų | 153 | 119.4 Ų | 119.4 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | 165.6 | 169 | 143.9 | 33 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 384 | G | 23.5 | Very low | 36.8 | Very low | 70 Ų | 70 | 118.8 Ų | 118.8 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -131.5 | -149 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 385 | P | 55.7 | Low | 36.2 | Very low | 135 Ų | 135 | 119.9 Ų | 119.9 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | cis | -142 | -152.7 | -8.5 | 43.6 | -21.7 | 0 | 0 | 0 | 114.9 | ||||
| 386 | A | 27.2 | Very low | 36.5 | Very low | 96 Ų | 96 | 118.6 Ų | 118.6 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | 93.8 | 176.1 | 154.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 387 | S | 31.1 | Very low | 38.3 | Very low | 115 Ų | 115 | 113.6 Ų | 113.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -140 | -166.5 | -170 | -36.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 388 | P | 52.8 | Low | 38.9 | Very low | 116 Ų | 116 | 114 Ų | 114 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | -138.3 | -172.8 | -20.4 | 35.2 | -11.6 | 0 | 0 | 0 | 116.6 | ||||
| 389 | V | 33.7 | Very low | 38.9 | Very low | 149 Ų | 149 | 115.7 Ų | 115.7 | 90% | 0.903 | 79% | 0.789 | S | S | * | * | trans | 79.6 | 154.9 | 162.4 | -165.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 390 | G | 34.3 | Very low | 39.4 | Very low | 65 Ų | 65 | 114.8 Ų | 114.8 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | -139.9 | -150.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 391 | P | 52.4 | Low | 39.4 | Very low | 117 Ų | 117 | 115.9 Ų | 115.9 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | cis | -146.9 | -150 | 1.7 | 43.7 | -19.3 | 0 | 0 | 0 | 117.3 | ||||
| 392 | T | 36.1 | Very low | 39.9 | Very low | 131 Ų | 131 | 116 Ų | 116 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 72.1 | 159.8 | 156.6 | 43.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 393 | S | 38.6 | Very low | 40.1 | Very low | 97 Ų | 97 | 116.8 Ų | 116.8 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | cis | -177.7 | 158.4 | -25.8 | 56.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 394 | S | 39.8 | Very low | 40.6 | Very low | 113 Ų | 113 | 114.2 Ų | 114.2 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | 70.4 | 151.7 | 162.9 | 63.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 395 | T | 36.7 | Very low | 41.4 | Very low | 140 Ų | 140 | 116.7 Ų | 116.7 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | cis | -161.2 | 170.5 | 34.7 | -47.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 396 | G | 32.7 | Very low | 40.7 | Very low | 68 Ų | 68 | 115.8 Ų | 115.8 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -144.3 | -161.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 397 | P | 61.8 | Low | 42.4 | Very low | 141 Ų | 141 | 117.1 Ų | 117.1 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | cis | -140 | -144.4 | 9.6 | 45.7 | -22.5 | 0 | 0 | 0 | 117.5 | ||||
| 398 | A | 41 | Very low | 42.7 | Very low | 96 Ų | 96 | 118.2 Ų | 118.2 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -152 | -163.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 399 | L | 40.8 | Very low | 41.6 | Very low | 161 Ų | 161 | 115.7 Ų | 115.7 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -150.7 | 172.9 | -163.3 | -68.3 | 173.6 | 0 | 0 | 0 | 113.2 | ||||
| 400 | L | 39.1 | Very low | 43.2 | Very low | 147 Ų | 147 | 114.6 Ų | 114.6 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | cis | -157.5 | -157.2 | -8.8 | -98.8 | 161.7 | 0 | 0 | 0 | 108.7 | ||||
| 401 | T | 43.8 | Very low | 44.7 | Very low | 140 Ų | 140 | 117.4 Ų | 117.4 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | cis | -167.1 | -176.4 | 11.8 | -24.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 402 | G | 35.9 | Very low | 44 | Very low | 66 Ų | 66 | 117 Ų | 117 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | trans | 178 | -162.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 403 | P | 57.5 | Low | 44 | Very low | 136 Ų | 136 | 113.2 Ų | 113.2 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | cis | -141.1 | -179.2 | -30.5 | 45.2 | -27.9 | 0 | 0 | 0 | 117.1 | ||||
| 404 | A | 39.2 | Very low | 43.7 | Very low | 99 Ų | 99 | 115.8 Ų | 115.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 177.9 | 145.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 405 | S | 39.8 | Very low | 43.5 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | 82 | 149.2 | 162.6 | 77 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 406 | S | 41.6 | Very low | 43.1 | Very low | 115 Ų | 115 | 116.2 Ų | 116.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -162.7 | 178.6 | -171.4 | -42.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 407 | P | 61.5 | Low | 43.1 | Very low | 124 Ų | 124 | 118 Ų | 118 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | cis | -108.1 | -142.4 | 31.3 | 12.8 | 13.2 | 0 | 0 | 0 | 113.7 | ||||
| 408 | V | 37.3 | Very low | 41.6 | Very low | 139 Ų | 139 | 117.4 Ų | 117.4 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | cis | -154 | 164.5 | 20.1 | -176 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 409 | G | 29.7 | Very low | 40.9 | Very low | 63 Ų | 63 | 119.5 Ų | 119.5 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | cis | -164.5 | -152.4 | 13.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 410 | P | 66.9 | Low | 40.2 | Very low | 125 Ų | 125 | 119 Ų | 119 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -123.4 | 161.6 | -156.4 | 41.6 | -31.3 | 0 | 0 | 0 | 119.2 | ||||
| 411 | P | 66.9 | Low | 39.4 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | cis | -100.9 | -166.2 | -10.5 | 41.9 | -34 | 0 | 0 | 0 | 110.9 | ||||
| 412 | S | 37.7 | Very low | 39.1 | Very low | 108 Ų | 108 | 120.3 Ų | 120.3 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | cis | -156 | 174.5 | 5.1 | -151.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 413 | G | 36 | Very low | 38.6 | Very low | 53 Ų | 53 | 123.2 Ų | 123.2 | 55% | 0.546 | 78% | 0.779 | S | S | . | * | cis | 95.3 | 118.2 | 7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 414 | L | 33.2 | Very low | 36.9 | Very low | 151 Ų | 151 | 123.6 Ų | 123.6 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | cis | -145.2 | 140 | 1.2 | -75.5 | 173.8 | 0 | 0 | 0 | 107.8 | ||||
| 415 | Q | 34.8 | Very low | 36.2 | Very low | 175 Ų | 175 | 124 Ų | 124 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | 79.8 | 144.4 | 65.3 | -65.7 | -172 | 7.6 | 0 | 0 | 114.7 | |||||
| 416 | A | 28.9 | Very low | 35.5 | Very low | 86 Ų | 86 | 124 Ų | 124 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | cis | -159.4 | -170.1 | 13.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 417 | S | 32.2 | Very low | 34.7 | Very low | 107 Ų | 107 | 122.8 Ų | 122.8 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | cis | 156.9 | 138.8 | -28.1 | -78.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 418 | V | 30.1 | Very low | 33.8 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | cis | -161.5 | -175.4 | -16.8 | -142.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 419 | N | 25.6 | Very low | 33.1 | Very low | 140 Ų | 140 | 120.8 Ų | 120.8 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | 95.4 | 130.5 | 152 | -75.8 | -17.2 | 0 | 0 | 0 | 125 | ||||
| 420 | L | 26.4 | Very low | 32.9 | Very low | 150 Ų | 150 | 122 Ų | 122 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 69.9 | 162.2 | 136 | -75.1 | 164.4 | 0 | 0 | 0 | 125.2 | ||||
| 421 | F | 23 | Very low | 30.8 | Very low | 195 Ų | 195 | 122.8 Ų | 122.8 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | trans | -52.3 | 167 | 158.3 | -78.1 | -92.4 | 0 | 0 | 0 | 112.2 | ||||
| 422 | P | 36.1 | Very low | 28.7 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | cis | -139.2 | -132 | 17 | 43 | -21.2 | 0 | 0 | 0 | 114.7 | ||||
| 423 | T | 26.5 | Very low | 28.1 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | trans | -130.1 | 180 | -175.3 | -49.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 424 | I | 21.2 | Very low | 27.4 | Very low | 144 Ų | 144 | 124 Ų | 124 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | 89.9 | 107.3 | 172.6 | -53 | 173 | 0 | 0 | 0 | 112.6 | ||||
| 425 | S | 24.2 | Very low | 27 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | 73.4 | 150 | 73.6 | -48.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 426 | V | 25.4 | Very low | 26.6 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | cis | -162.9 | 131.5 | 49.1 | 166.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 427 | A | 24.3 | Very low | 26.4 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | trans | 57.1 | 178.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 428 | P | 42.9 | Very low | 26.2 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | cis | -137.5 | 179.5 | -0.3 | 45.3 | -28.5 | 0 | 0 | 0 | 118.1 | ||||
| 429 | S | 23 | Very low | 26.1 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | 78.6 | 132.3 | 149.4 | -60 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 430 | A | 25.2 | Very low | 26.1 | Very low | 88 Ų | 88 | 130 Ų | 130 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | 65.2 | 135.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 431 | D | 23.1 | Very low | 26 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | cis | -153.3 | -179.8 | 3.3 | -129.7 | -29 | 0 | 0 | 0 | 114.2 | ||||
| 432 | T | 23.6 | Very low | 26.1 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 69% | 0.693 | 71% | 0.714 | S | S | * | * | trans | -23.6 | 148.8 | 154.5 | 53.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 433 | S | 23.6 | Very low | 25.7 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | cis | -171.2 | 176.3 | 5.4 | 42.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 434 | S | 23 | Very low | 25.7 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | trans | -40 | 139.5 | 143.6 | 52.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 435 | E | 24.9 | Very low | 25.8 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | -169.1 | 135.3 | 114.7 | -103.9 | -167.3 | 147.2 | 0 | 0 | 109.7 | |||||
| 436 | R | 24.8 | Very low | 25.9 | Very low | 215 Ų | 215 | 127.6 Ų | 127.6 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | 57.3 | 152.7 | 101.9 | -75.8 | -172 | 174.8 | 150.7 | -12.8 | 115.4 | |||||
| 437 | S | 26.6 | Very low | 25.9 | Very low | 69 Ų | 69 | 128.2 Ų | 128.2 | 48% | 0.483 | 73% | 0.729 | S | S | . | * | cis | 178.7 | 115.9 | -19 | 165.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 438 | I | 28.1 | Very low | 25.9 | Very low | 133 Ų | 133 | 136 Ų | 136 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | 68.4 | 171.8 | 145.7 | -57.4 | 172.8 | 0 | 0 | 0 | 115.4 | ||||
| 439 | Y | 26.6 | Very low | 25.2 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 71% | 0.71 | 74% | 0.736 | S | S | * | * | trans | 83.6 | 112.9 | 176.8 | -49.8 | -73.2 | 0 | 0 | 0 | 113.2 | ||||
| 440 | K | 25.5 | Very low | 26.1 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | 66.4 | 134 | 61.7 | -67.3 | -170.1 | 162.7 | -173.9 | 0 | 110.4 | |||||
| 441 | L | 25.2 | Very low | 26 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 62% | 0.623 | 74% | 0.742 | S | S | * | * | cis | -160.1 | 170.3 | 9.1 | -149.7 | 63.6 | 0 | 0 | 0 | 110.2 | ||||
| 442 | H | 25.6 | Very low | 26.3 | Very low | 149 Ų | 149 | 138 Ų | 138 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | trans | 68.8 | 133.9 | 164.2 | -63.2 | 163.6 | 0 | 0 | 0 | 116.8 | ||||
| 443 | Q | 26.8 | Very low | 26.9 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | cis | 85.8 | 97 | 39.9 | -176.5 | -162.8 | 59.8 | 0 | 0 | 113.1 | ||||
| 444 | T | 26.1 | Very low | 27.5 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | -164.6 | 151 | 135.3 | 28.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 445 | A | 24.5 | Very low | 28 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -119.1 | 143.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 446 | S | 24.9 | Very low | 28.5 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -177 | 123.9 | 137.5 | -82.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 447 | V | 25.4 | Very low | 28.7 | Very low | 135 Ų | 135 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -22.1 | 127.4 | 156.1 | 177.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 448 | W | 24.5 | Very low | 29 | Very low | 252 Ų | 252 | 141 Ų | 141 | 96% | 0.955 | 78% | 0.782 | S | S | * | * | -155.6 | 153.5 | 123.4 | -137.6 | -76.7 | 0 | 0 | 0 | 110.7 | |||||
| 449 | A | 28.1 | Very low | 29.2 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | trans | -102.5 | -177.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 450 | P | 41.9 | Very low | 29.8 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | -140.3 | -150.3 | 9.7 | 41 | -17.7 | 0 | 0 | 0 | 114.6 | ||||
| 451 | E | 23.4 | Very low | 30.5 | Very low | 186 Ų | 186 | 132.3 Ų | 132.3 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | 87.2 | 143.7 | 172.6 | -59.2 | -163.6 | 103.4 | 0 | 0 | 119.3 | ||||
| 452 | S | 28.5 | Very low | 31.2 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -137.1 | 163.3 | 177.6 | -57.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 453 | P | 37.9 | Very low | 31.7 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | cis | -133.3 | -155 | 26.8 | 44.4 | -24.6 | 0 | 0 | 0 | 110.9 | ||||
| 454 | P | 34.7 | Very low | 32.3 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | -127.3 | -178 | -6.2 | 42.2 | -25.4 | 0 | 0 | 0 | 115.6 | ||||
| 455 | V | 35 | Very low | 33.1 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -117.6 | 134.8 | -173.5 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 456 | P | 34.6 | Very low | 33.8 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | trans | -78.4 | 146.5 | 166.7 | -10.2 | 27.6 | 0 | 0 | 0 | 112.6 | ||||
| 457 | Q | 29.3 | Very low | 34.7 | Very low | 197 Ų | 197 | 129.4 Ų | 129.4 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | trans | -89.1 | 155.9 | -173.7 | -65.4 | 175.2 | -19.3 | 0 | 0 | 114 | ||||
| 458 | S | 31.5 | Very low | 35.7 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | -112.2 | 161 | 174.3 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 459 | P | 33.7 | Very low | 36.7 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | trans | -83.6 | 154.4 | -159.3 | 31.4 | -35.9 | 0 | 0 | 0 | 115.7 | G461 | P459-G461 PolarHBondContact O-N 3.42Š| ||
| 460 | P | 39 | Very low | 38 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 92% | 0.916 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -80.6 | 79.1 | -171.4 | 33.6 | -37.1 | 0 | 0 | 0 | 113.4 | ||
| 461 | G | 40.1 | Very low | 38.4 | Very low | 49 Ų | 49 | 128.4 Ų | 128.4 | 51% | 0.505 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -125.1 | -60.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P459 | P459-G461 PolarHBondContact O-N 3.42Š|
| 462 | Q | 38.9 | Very low | 39.9 | Very low | 146 Ų | 146 | 124.8 Ų | 124.8 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -41.4 | -172.3 | -77.4 | 168.3 | -96.2 | 0 | 0 | 114.1 | R464 L465 E466 | Q462-R464 PolarHBondContact O-N 3.42Å; Q462-L465 PolarHBondContact O-N 2.85Å; Q462-E466 PolarHBondContact O-N 3.28Å; Q462-E466 VanDerWaalsContact O-N 3.09Å |
| 463 | A | 37.6 | Very low | 41.3 | Very low | 65 Ų | 65 | 122.9 Ų | 122.9 | 54% | 0.537 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -56.5 | -24.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A467 | A463-A467 WeakPolarHBondContact O-CB 3.48Å; A463-A467 PolarHBondContact O-N 3.12Å |
| 464 | R | 38.8 | Very low | 42.1 | Very low | 217 Ų | 217 | 119.7 Ų | 119.7 | 82% | 0.819 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82.2 | -17.8 | 179.5 | -148.4 | 176.5 | -167.6 | -179.2 | 3.9 | 113.8 | Q462 | Q462-R464 PolarHBondContact O-N 3.42Å |
| 465 | L | 43.3 | Very low | 43.1 | Very low | 135 Ų | 135 | 116.7 Ų | 116.7 | 71% | 0.707 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -88.7 | -43.3 | 169.7 | -81 | 159.9 | 0 | 0 | 0 | 110.6 | Q462 A467 R468 F469 | Q462-L465 PolarHBondContact O-N 2.85Å; L465-A467 PolarHBondContact O-N 3.39Å; L465-R468 PolarHBondContact O-N 3.16Å; L465-F469 PolarHBondContact O-N 3.44Å |
| 466 | E | 39.5 | Very low | 44.1 | Very low | 109 Ų | 109 | 113.1 Ų | 113.1 | 51% | 0.509 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -61.9 | -42.4 | 175.9 | -68.2 | 172.5 | 150.4 | 0 | 0 | 111.9 | Q462 R468 F469 L470 | Q462-E466 PolarHBondContact O-N 3.28Å; Q462-E466 VanDerWaalsContact O-N 3.09Å; E466-R468 VanDerWaalsContact C-N 3.33Å; E466-R468 PolarHBondContact O-N 2.89Å; E466-F469 WeakPolarHBondContact O-CB 3.41Å; E466-F469 PolarHBondContact O-N 3.2Å; E466-F469 VanDerWaalsContact O-N 3.14Å; E466-L470 VanDerWaalsContact O-CD1 3.25Å; E466-L470 WeakPolarHBondContact O-CD1 3.36Å; E466-L470 PolarHBondContact O-N 3.07Å |
| 467 | A | 42.9 | Very low | 45 | Very low | 61 Ų | 61 | 112.4 Ų | 112.4 | 50% | 0.504 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -58.5 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A463 L465 L470 E471 | A463-A467 WeakPolarHBondContact O-CB 3.48Å; A463-A467 PolarHBondContact O-N 3.12Å; L465-A467 PolarHBondContact O-N 3.39Å; A467-L470 PolarHBondContact O-N 3.33Å; A467-E471 VanDerWaalsContact O-CB 3.24Å; A467-E471 WeakPolarHBondContact O-CB 3.31Å; A467-E471 PolarHBondContact O-N 3.18Å |
| 468 | R | 47 | Very low | 46.4 | Very low | 171 Ų | 171 | 107.1 Ų | 107.1 | 65% | 0.645 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.7 | -29.7 | 176 | -81.8 | -172.6 | 162.8 | -165 | -6 | 113.2 | L465 E466 N472 | L465-R468 PolarHBondContact O-N 3.16Å; E466-R468 VanDerWaalsContact C-N 3.33Å; E466-R468 PolarHBondContact O-N 2.89Å; R468-N472 WeakPolarHBondContact O-CB 3.24Å; R468-N472 PolarHBondContact O-N 3.38Å; R468-N472 PolarHBondContact O-ND2 3.12Å |
| 469 | F | 45.6 | Very low | 47.8 | Very low | 143 Ų | 143 | 108.8 Ų | 108.8 | 63% | 0.627 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.4 | -47.7 | 173.5 | -174.8 | -104.5 | 0 | 0 | 0 | 110.9 | L465 E466 N472 V473 | L465-F469 PolarHBondContact O-N 3.44Å; E466-F469 WeakPolarHBondContact O-CB 3.41Å; E466-F469 PolarHBondContact O-N 3.2Å; E466-F469 VanDerWaalsContact O-N 3.14Å; F469-N472 PolarHBondContact O-N 3.35Å; F469-V473 HydrophobicContact CD1-CG2 4.46Å; F469-V473 HydrophobicContact CE1-CG2 4.18Å; F469-V473 HydrophobicContact CE2-CG2 4.5Å; F469-V473 HydrophobicContact CZ-CG2 4.2Å; F469-V473 WeakPolarHBondContact O-CB 3.42Å; F469-V473 VanDerWaalsContact O-CG2 3.3Å; F469-V473 WeakPolarHBondContact O-CG2 3.42Å; F469-V473 PolarHBondContact O-N 3.17Å |
| 470 | L | 54 | Low | 48.8 | Very low | 119 Ų | 119 | 109.6 Ų | 109.6 | 62% | 0.623 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.4 | -37.9 | 174 | -84.8 | 88.1 | 0 | 0 | 0 | 112.7 | E466 A467 V473 A474 | E466-L470 VanDerWaalsContact O-CD1 3.25Å; E466-L470 WeakPolarHBondContact O-CD1 3.36Å; E466-L470 PolarHBondContact O-N 3.07Å; A467-L470 PolarHBondContact O-N 3.33Å; L470-V473 PolarHBondContact O-N 3.06Å; L470-A474 VanDerWaalsContact O-CB 3.24Å; L470-A474 WeakPolarHBondContact O-CB 3.27Å; L470-A474 PolarHBondContact O-N 2.81Å |
| 471 | E | 50.5 | Low | 49.2 | Very low | 127 Ų | 127 | 109.3 Ų | 109.3 | 59% | 0.593 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.6 | -44.6 | 175.2 | -172.9 | 172.5 | -149.2 | 0 | 0 | 111.3 | A467 A475 | A467-E471 VanDerWaalsContact O-CB 3.24Å; A467-E471 WeakPolarHBondContact O-CB 3.31Å; A467-E471 PolarHBondContact O-N 3.18Å; E471-A475 WeakPolarHBondContact O-CB 3.42Å; E471-A475 PolarHBondContact O-N 2.94Å |
| 472 | N | 55.7 | Low | 50.2 | Low | 111 Ų | 111 | 110.6 Ų | 110.6 | 59% | 0.594 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69 | -39.3 | 176.2 | -71.9 | -11.4 | 0 | 0 | 0 | 113.1 | R468 F469 A475 A476 | R468-N472 WeakPolarHBondContact O-CB 3.24Å; R468-N472 PolarHBondContact O-N 3.38Å; R468-N472 PolarHBondContact O-ND2 3.12Å; F469-N472 PolarHBondContact O-N 3.35Å; N472-A475 PolarHBondContact O-N 3.27Å; N472-A476 PolarHBondContact O-N 2.99Å |
| 473 | V | 58.1 | Low | 51 | Low | 72 Ų | 72 | 106.3 Ų | 106.3 | 44% | 0.436 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.7 | -44.1 | 176.1 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | F469 L470 A475 A476 E477 | F469-V473 HydrophobicContact CD1-CG2 4.46Å; F469-V473 HydrophobicContact CE1-CG2 4.18Å; F469-V473 HydrophobicContact CE2-CG2 4.5Å; F469-V473 HydrophobicContact CZ-CG2 4.2Å; F469-V473 WeakPolarHBondContact O-CB 3.42Å; F469-V473 VanDerWaalsContact O-CG2 3.3Å; F469-V473 WeakPolarHBondContact O-CG2 3.42Å; F469-V473 PolarHBondContact O-N 3.17Å; L470-V473 PolarHBondContact O-N 3.06Å; V473-A475 VanDerWaalsContact C-N 3.34Å; V473-A475 PolarHBondContact O-N 3.41Å; V473-A476 PolarHBondContact O-N 3.37Å; V473-E477 WeakPolarHBondContact O-CB 3.39Å; V473-E477 PolarHBondContact O-N 2.89Å |
| 474 | A | 54.1 | Low | 51.5 | Low | 51 Ų | 51 | 108.8 Ų | 108.8 | 42% | 0.421 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64 | -37.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L470 E477 T478 | L470-A474 VanDerWaalsContact O-CB 3.24Å; L470-A474 WeakPolarHBondContact O-CB 3.27Å; L470-A474 PolarHBondContact O-N 2.81Å; A474-E477 PolarHBondContact O-N 3.14Å; A474-T478 WeakPolarHBondContact O-CB 3.49Å; A474-T478 PolarHBondContact O-N 2.9Å; A474-T478 PolarHBondContact O-OG1 2.85Å |
| 475 | A | 56.7 | Low | 51.8 | Low | 56 Ų | 56 | 101.3 Ų | 101.3 | 46% | 0.463 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E471 N472 V473 E477 T478 E479 | E471-A475 WeakPolarHBondContact O-CB 3.42Å; E471-A475 PolarHBondContact O-N 2.94Å; N472-A475 PolarHBondContact O-N 3.27Å; V473-A475 VanDerWaalsContact C-N 3.34Å; V473-A475 PolarHBondContact O-N 3.41Å; A475-E477 VanDerWaalsContact C-N 3.34Å; A475-E477 PolarHBondContact O-N 3.04Å; A475-T478 WeakPolarHBondContact O-CB 3.18Å; A475-T478 PolarHBondContact O-N 3.26Å; A475-E479 PolarHBondContact O-N 3.18Å |
| 476 | A | 55.1 | Low | 51.8 | Low | 57 Ų | 57 | 100.8 Ų | 100.8 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N472 V473 E479 K480 | N472-A476 PolarHBondContact O-N 2.99Å; V473-A476 PolarHBondContact O-N 3.37Å; A476-E479 PolarHBondContact O-N 3.12Å; A476-K480 WeakPolarHBondContact O-CB 3.33Å; A476-K480 PolarHBondContact O-N 3.43Å |
| 477 | E | 53.3 | Low | 52.2 | Low | 108 Ų | 108 | 97.6 Ų | 97.6 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.4 | -30.8 | 174.9 | -169.2 | 151.6 | -122.8 | 0 | 0 | 112.5 | V473 A474 A475 Q481 | V473-E477 WeakPolarHBondContact O-CB 3.39Å; V473-E477 PolarHBondContact O-N 2.89Å; A474-E477 PolarHBondContact O-N 3.14Å; A475-E477 VanDerWaalsContact C-N 3.34Å; A475-E477 PolarHBondContact O-N 3.04Å; E477-Q481 WeakPolarHBondContact O-CG 3.44Å; E477-Q481 PolarHBondContact O-N 3.18Å |
| 478 | T | 59.4 | Low | 51.8 | Low | 86 Ų | 86 | 104 Ų | 104 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68 | -43.8 | 170.8 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | A474 A475 K480 Q481 V482 | A474-T478 WeakPolarHBondContact O-CB 3.49Å; A474-T478 PolarHBondContact O-N 2.9Å; A474-T478 PolarHBondContact O-OG1 2.85Å; A475-T478 WeakPolarHBondContact O-CB 3.18Å; A475-T478 PolarHBondContact O-N 3.26Å; T478-K480 PolarHBondContact O-N 3.43Å; T478-Q481 CarbonylContact O-C 3.57Å; T478-Q481 PolarHBondContact O-N 3.12Å; T478-Q481 VanDerWaalsContact O-N 3.13Å; T478-V482 HydrophobicContact CG2-CG2 4.47Å; T478-V482 WeakPolarHBondContact O-CG2 3.31Å; T478-V482 PolarHBondContact O-N 3.26Å |
| 479 | E | 60.3 | Low | 51.4 | Low | 145 Ų | 145 | 98.9 Ų | 98.9 | 68% | 0.678 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.1 | -43.1 | 175.8 | -173 | 170.9 | -151.6 | 0 | 0 | 111.4 | A475 A476 Q481 V482 A483 | A475-E479 PolarHBondContact O-N 3.18Å; A476-E479 PolarHBondContact O-N 3.12Å; E479-Q481 VanDerWaalsContact C-N 3.32Å; E479-Q481 PolarHBondContact O-N 3.43Å; E479-V482 PolarHBondContact O-N 3.25Å; E479-A483 PolarHBondContact O-N 3.45Å |
| 480 | K | 55.3 | Low | 51.1 | Low | 132 Ų | 132 | 99.7 Ų | 99.7 | 57% | 0.574 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57.7 | -39.7 | 171.6 | -177.4 | -178.2 | 177.3 | -173.8 | 0 | 112.7 | A476 T478 L484 | A476-K480 WeakPolarHBondContact O-CB 3.33Å; A476-K480 PolarHBondContact O-N 3.43Å; T478-K480 PolarHBondContact O-N 3.43Å; K480-L484 PolarHBondContact O-N 2.89Å |
| 481 | Q | 46.4 | Very low | 50.4 | Low | 135 Ų | 135 | 99.3 Ų | 99.3 | 63% | 0.631 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74.7 | -34.6 | 175 | -72.1 | -165.6 | 36.5 | 0 | 0 | 113.3 | E477 T478 E479 L484 A485 | E477-Q481 WeakPolarHBondContact O-CG 3.44Å; E477-Q481 PolarHBondContact O-N 3.18Å; T478-Q481 CarbonylContact O-C 3.57Å; T478-Q481 PolarHBondContact O-N 3.12Å; T478-Q481 VanDerWaalsContact O-N 3.13Å; E479-Q481 VanDerWaalsContact C-N 3.32Å; E479-Q481 PolarHBondContact O-N 3.43Å; Q481-L484 PolarHBondContact O-N 3.39Å; Q481-A485 WeakPolarHBondContact O-CB 3.41Å; Q481-A485 PolarHBondContact O-N 3.19Å |
| 482 | V | 61 | Low | 49.6 | Very low | 76 Ų | 76 | 100.3 Ų | 100.3 | 46% | 0.461 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.5 | -41.7 | 174.4 | 169.9 | 0 | 0 | 0 | 0 | 111 | T478 E479 L484 A485 Q486 | T478-V482 HydrophobicContact CG2-CG2 4.47Å; T478-V482 WeakPolarHBondContact O-CG2 3.31Å; T478-V482 PolarHBondContact O-N 3.26Å; E479-V482 PolarHBondContact O-N 3.25Å; V482-L484 PolarHBondContact O-N 3.37Å; V482-A485 WeakPolarHBondContact O-CB 3.3Å; V482-A485 PolarHBondContact O-N 3.2Å; V482-A485 VanDerWaalsContact O-N 3.15Å; V482-Q486 PolarHBondContact O-N 3.38Å |
| 483 | A | 55.5 | Low | 48.5 | Very low | 57 Ų | 57 | 99.1 Ų | 99.1 | 47% | 0.471 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.6 | -43.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E479 A485 Q486 G487 | E479-A483 PolarHBondContact O-N 3.45Å; A483-A485 VanDerWaalsContact C-N 3.29Å; A483-A485 PolarHBondContact O-N 3.09Å; A483-Q486 PolarHBondContact O-N 3.1Å; A483-G487 PolarHBondContact O-N 3.07Å |
| 484 | L | 48.7 | Very low | 47.3 | Very low | 117 Ų | 117 | 99.5 Ų | 99.5 | 61% | 0.613 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.9 | -30 | 173.4 | -84.6 | 163.3 | 0 | 0 | 0 | 113.2 | K480 Q481 V482 R488 | K480-L484 PolarHBondContact O-N 2.89Å; Q481-L484 PolarHBondContact O-N 3.39Å; V482-L484 PolarHBondContact O-N 3.37Å; L484-R488 PolarHBondContact O-N 3.13Å |
| 485 | A | 44.8 | Very low | 46.1 | Very low | 59 Ų | 59 | 101 Ų | 101 | 49% | 0.488 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -75 | -41.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q481 V482 A483 R488 A489 | Q481-A485 WeakPolarHBondContact O-CB 3.41Å; Q481-A485 PolarHBondContact O-N 3.19Å; V482-A485 WeakPolarHBondContact O-CB 3.3Å; V482-A485 PolarHBondContact O-N 3.2Å; V482-A485 VanDerWaalsContact O-N 3.15Å; A483-A485 VanDerWaalsContact C-N 3.29Å; A483-A485 PolarHBondContact O-N 3.09Å; A485-R488 PolarHBondContact O-N 3.31Å; A485-A489 PolarHBondContact O-N 3.39Å |
| 486 | Q | 43.8 | Very low | 44.7 | Very low | 125 Ų | 125 | 106.7 Ų | 106.7 | 58% | 0.584 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.3 | -46.7 | 174.7 | -75.2 | -179.2 | -59.8 | 0 | 0 | 111.4 | V482 A483 R488 A489 E490 | V482-Q486 PolarHBondContact O-N 3.38Å; A483-Q486 PolarHBondContact O-N 3.1Å; Q486-R488 PolarHBondContact O-N 3.38Å; Q486-A489 WeakPolarHBondContact O-CB 3.45Å; Q486-A489 PolarHBondContact O-N 3.48Å; Q486-E490 PolarHBondContact O-N 3.24Å |
| 487 | G | 46.9 | Very low | 44.5 | Very low | 41 Ų | 41 | 109 Ų | 109 | 42% | 0.423 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -58.7 | -29.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A483 T491 | A483-G487 PolarHBondContact O-N 3.07Å; G487-T491 WeakPolarHBondContact O-CG2 3.32Å |
| 488 | R | 36.5 | Very low | 43.3 | Very low | 196 Ų | 196 | 110.2 Ų | 110.2 | 74% | 0.74 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -77.6 | -35.6 | 171.3 | -94.2 | -179.3 | 165.2 | 164.9 | -2.6 | 113.7 | L484 A485 Q486 T491 | L484-R488 PolarHBondContact O-N 3.13Å; A485-R488 PolarHBondContact O-N 3.31Å; Q486-R488 PolarHBondContact O-N 3.38Å; R488-T491 PolarHBondContact O-N 3.05Å; R488-T491 PolarHBondContact O-OG1 2.71Å |
| 489 | A | 36.7 | Very low | 41.7 | Very low | 63 Ų | 63 | 114.1 Ų | 114.1 | 52% | 0.521 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -65 | -42.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A485 Q486 T491 L492 A493 | A485-A489 PolarHBondContact O-N 3.39Å; Q486-A489 WeakPolarHBondContact O-CB 3.45Å; Q486-A489 PolarHBondContact O-N 3.48Å; A489-T491 VanDerWaalsContact C-N 3.3Å; A489-T491 PolarHBondContact O-N 2.77Å; A489-L492 PolarHBondContact O-N 2.97Å; A489-L492 VanDerWaalsContact O-N 3.1Å; A489-A493 PolarHBondContact O-N 2.79Å |
| 490 | E | 39.7 | Very low | 40.1 | Very low | 161 Ų | 161 | 112.1 Ų | 112.1 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.9 | -34.4 | 178 | -67.3 | -174.9 | 160.6 | 0 | 0 | 112.3 | Q486 L492 | Q486-E490 PolarHBondContact O-N 3.24Å; E490-L492 PolarHBondContact O-N 3.34Å |
| 491 | T | 40.2 | Very low | 38.6 | Very low | 111 Ų | 111 | 109.9 Ų | 109.9 | 68% | 0.681 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -7.3 | 174.7 | 55.9 | 0 | 0 | 0 | 0 | 115.3 | G487 R488 A489 | G487-T491 WeakPolarHBondContact O-CG2 3.32Å; R488-T491 PolarHBondContact O-N 3.05Å; R488-T491 PolarHBondContact O-OG1 2.71Å; A489-T491 VanDerWaalsContact C-N 3.3Å; A489-T491 PolarHBondContact O-N 2.77Å |
| 492 | L | 33.3 | Very low | 37.6 | Very low | 148 Ų | 148 | 107.6 Ų | 107.6 | 78% | 0.775 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | -6.4 | -176 | -89.1 | 162.2 | 0 | 0 | 0 | 115 | A489 E490 | A489-L492 PolarHBondContact O-N 2.97Å; A489-L492 VanDerWaalsContact O-N 3.1Å; E490-L492 PolarHBondContact O-N 3.34Å |
| 493 | A | 33.2 | Very low | 35.9 | Very low | 86 Ų | 86 | 112.1 Ų | 112.1 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -90.8 | -9.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A489 A495 | A489-A493 PolarHBondContact O-N 2.79Å; A493-A495 PolarHBondContact O-N 3.29Å; A493-A495 VanDerWaalsContact O-N 3.09Å |
| 494 | G | 33.4 | Very low | 35.3 | Very low | 80 Ų | 80 | 115 Ų | 115 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | trans | -84.8 | 51.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 495 | A | 27.6 | Very low | 34.3 | Very low | 81 Ų | 81 | 116.2 Ų | 116.2 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | trans | -134.4 | 74.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | A493 | A493-A495 PolarHBondContact O-N 3.29Å; A493-A495 VanDerWaalsContact O-N 3.09Å | ||
| 496 | M | 28.3 | Very low | 33.5 | Very low | 177 Ų | 177 | 117 Ų | 117 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | trans | 68.8 | 174.4 | 156.7 | -54.3 | -66.6 | -77 | 0 | 0 | 116.4 | ||||
| 497 | P | 50.3 | Low | 32.6 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 69% | 0.688 | 74% | 0.739 | S | S | * | * | -138.2 | 179.6 | -70 | 42 | -26.9 | 0 | 0 | 0 | 116 | |||||
| 498 | N | 28.3 | Very low | 31.6 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | 103 | 154.1 | 144.9 | -141.9 | 56.9 | 0 | 0 | 0 | 121.2 | ||||
| 499 | E | 26.1 | Very low | 30.9 | Very low | 168 Ų | 168 | 121.9 Ų | 121.9 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | -22.1 | 157.7 | 176.7 | -63.3 | 168.8 | 126.8 | 0 | 0 | 119.6 | ||||
| 500 | A | 26.7 | Very low | 30.3 | Very low | 102 Ų | 102 | 129 Ų | 129 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | cis | -155.9 | 171.3 | 40.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 501 | G | 23.8 | Very low | 29.4 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | -92.6 | -176.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 502 | G | 24.3 | Very low | 28.5 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | 179.6 | 108.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 503 | H | 26.5 | Very low | 28.9 | Very low | 172 Ų | 172 | 124.9 Ų | 124.9 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | -126.3 | 155.7 | 164.1 | -166.2 | -6.5 | 0 | 0 | 0 | 106.6 | D505 | H503-D505 PolarHBondContact CE1-N 2.88Å; H503-D505 VanDerWaalsContact CE1-N 3.35Å; H503-D505 PolarHBondContact ND1-N 3.18Å | ||
| 504 | P | 42.9 | Very low | 28.4 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | -140.6 | 123.4 | 126.2 | 33.3 | -19.6 | 0 | 0 | 0 | 114.2 | |||||
| 505 | D | 26.6 | Very low | 28 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | 55 | 167.1 | 128.4 | -121.5 | -36.9 | 0 | 0 | 0 | 122.8 | H503 | H503-D505 PolarHBondContact CE1-N 2.88Å; H503-D505 VanDerWaalsContact CE1-N 3.35Å; H503-D505 PolarHBondContact ND1-N 3.18Å | |||
| 506 | A | 29.1 | Very low | 27.8 | Very low | 76 Ų | 76 | 132 Ų | 132 | 63% | 0.628 | 76% | 0.757 | S | S | * | * | trans | -141.7 | 161.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 507 | R | 25.4 | Very low | 28.2 | Very low | 210 Ų | 210 | 129.3 Ų | 129.3 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | trans | 157 | 144.7 | 141.7 | -90.5 | 160.1 | -178.5 | -162.9 | 0.7 | 114.4 | ||||
| 508 | Q | 25.3 | Very low | 26.9 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | 70.2 | 153.7 | 138.3 | -73.7 | 172.1 | -13.8 | 0 | 0 | 118.8 | ||||
| 509 | L | 22 | Very low | 26.7 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 52% | 0.524 | 76% | 0.76 | S | S | . | * | cis | -171.8 | 172.2 | -13.9 | 65.5 | -165.2 | 0 | 0 | 0 | 112.3 | ||||
| 510 | W | 23.1 | Very low | 26.6 | Very low | 212 Ų | 212 | 130.7 Ų | 130.7 | 80% | 0.803 | 77% | 0.767 | S | S | * | * | trans | 64.6 | 154 | 166 | -70.5 | -46.2 | 0 | 0 | 0 | 117.9 | ||||
| 511 | D | 20.6 | Very low | 26.3 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | cis | -148.1 | -168.7 | -1 | -137.2 | -42.6 | 0 | 0 | 0 | 114.6 | ||||
| 512 | S | 22.3 | Very low | 26.9 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | -89.1 | -162.7 | -169.1 | -36.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 513 | P | 40.9 | Very low | 26.7 | Very low | 105 Ų | 105 | 137 Ų | 137 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | cis | -144.4 | 173.8 | 22.8 | 44.2 | -22.7 | 0 | 0 | 0 | 120.1 | ||||
| 514 | E | 24 | Very low | 26.8 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | trans | 31.5 | 136.5 | 145 | -63.5 | -176.7 | 96.3 | 0 | 0 | 122.8 | ||||
| 515 | T | 23.5 | Very low | 26.2 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | -163.5 | 163.2 | 71.6 | 17.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 516 | A | 23.5 | Very low | 26.2 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -119 | 169.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 517 | P | 37.2 | Very low | 26.6 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | -156.5 | 156.5 | 86.6 | 40.4 | -21.5 | 0 | 0 | 0 | 118.3 | |||||
| 518 | A | 23.4 | Very low | 26.5 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | 52 | 167.5 | 138.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 519 | A | 24.4 | Very low | 26.4 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | cis | -177.9 | 139.7 | -44.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 520 | R | 23.2 | Very low | 26.4 | Very low | 249 Ų | 249 | 129.8 Ų | 129.8 | 94% | 0.94 | 77% | 0.768 | S | S | * | * | trans | 168.4 | 154.3 | 139 | -93.3 | 162.6 | -170.3 | -158.7 | 2.6 | 114.1 | ||||
| 521 | T | 21.3 | Very low | 26.5 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -95.4 | -175 | 175.8 | 44.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 522 | P | 34.6 | Very low | 26.6 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | cis | -143.6 | -177.5 | 9.9 | 44.6 | -24.8 | 0 | 0 | 0 | 118.8 | ||||
| 523 | Q | 21.1 | Very low | 26.8 | Very low | 176 Ų | 176 | 130.4 Ų | 130.4 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 68.2 | 123 | 144.8 | -79.4 | 160.3 | -5.1 | 0 | 0 | 123.8 | ||||
| 524 | S | 27.6 | Very low | 26 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | 23.4 | 150.7 | 110.7 | -102.5 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 525 | P | 30.7 | Very low | 26.1 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | cis | -147.9 | 177.6 | 37.4 | 42.1 | -22.8 | 0 | 0 | 0 | 118.4 | ||||
| 526 | A | 28.2 | Very low | 26.2 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -108.9 | 134.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 527 | P | 36.3 | Very low | 26.2 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | -147.6 | 178.8 | 112.9 | 33 | -14.7 | 0 | 0 | 0 | 112.9 | |||||
| 528 | C | 23.3 | Very low | 25.6 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | -176.8 | -171.4 | -32.5 | -173.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 529 | V | 23 | Very low | 26 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | trans | 83.8 | 90.8 | 155.5 | -176 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 530 | L | 23.1 | Very low | 26.2 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | 93 | 146.6 | 120.3 | -82.1 | -174.1 | 0 | 0 | 0 | 126.3 | |||||
| 531 | L | 23.7 | Very low | 26.4 | Very low | 141 Ų | 141 | 135 Ų | 135 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 73.1 | 154.9 | 155.6 | -65.8 | 159.8 | 0 | 0 | 0 | 120 | ||||
| 532 | R | 24 | Very low | 26.6 | Very low | 220 Ų | 220 | 137.1 Ų | 137.1 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | cis | 165 | 102.1 | -45.5 | 170.7 | -174.1 | -176.9 | 161.2 | 1.9 | 110.9 | ||||
| 533 | A | 25.4 | Very low | 26 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -168.5 | 141.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 534 | Q | 25.5 | Very low | 26.9 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | cis | 84 | 103.9 | 33.2 | -73.9 | -126.5 | 33.1 | 0 | 0 | 117 | ||||
| 535 | R | 25.2 | Very low | 26.9 | Very low | 217 Ų | 217 | 137.8 Ų | 137.8 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | 87.9 | 100.1 | 122 | -169.5 | 174.9 | 175.7 | 166.7 | -2.6 | 120.5 | |||||
| 536 | S | 26.2 | Very low | 26.7 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 41.2 | 121 | 128.1 | -167.8 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 537 | L | 23 | Very low | 27 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 93% | 0.932 | 77% | 0.766 | S | S | * | * | trans | -167.7 | 167.2 | 136.9 | -104.7 | 151.1 | 0 | 0 | 0 | 111.4 | ||||
| 538 | A | 25.2 | Very low | 26.4 | Very low | 86 Ų | 86 | 139.7 Ų | 139.7 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -101.7 | -170.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 539 | P | 31.3 | Very low | 26.4 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | cis | -139.9 | -168.5 | 4.1 | 44.5 | -24.8 | 0 | 0 | 0 | 116.4 | ||||
| 540 | E | 27.8 | Very low | 27.2 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -76.3 | 151.5 | 169.8 | -75.5 | -81.9 | 125.3 | 0 | 0 | 114 | ||||
| 541 | P | 29 | Very low | 27.3 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | -105 | 154.7 | 171.6 | 38.3 | -31.5 | 0 | 0 | 0 | 115.2 | ||||
| 542 | K | 23.5 | Very low | 27.4 | Very low | 178 Ų | 178 | 138.8 Ų | 138.8 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | trans | -93.7 | -166.2 | 166.8 | -60.2 | 176.9 | 179.5 | 176.8 | 0 | 110 | ||||
| 543 | E | 23.1 | Very low | 27.7 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | cis | -169.4 | -157.5 | 24.5 | -144.4 | 143.1 | -131.3 | 0 | 0 | 106 | ||||
| 544 | P | 39 | Very low | 28.4 | Very low | 100 Ų | 100 | 138 Ų | 138 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | cis | -143.6 | 154.6 | -6 | 36.5 | -14.2 | 0 | 0 | 0 | 120.9 | ||||
| 545 | L | 28.6 | Very low | 28.4 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 62.4 | 168.9 | 138.3 | -63.1 | 170 | 0 | 0 | 0 | 119.8 | ||||
| 546 | I | 26.6 | Very low | 28.8 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | cis | -141.1 | -168.7 | 19.5 | -10.3 | 178.8 | 0 | 0 | 0 | 111.4 | ||||
| 547 | P | 35 | Very low | 29.3 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | -136 | -170.4 | -128.6 | 45.7 | -24.6 | 0 | 0 | 0 | 119.3 | |||||
| 548 | A | 23.2 | Very low | 29.5 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | 95.6 | 154.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 549 | S | 23.9 | Very low | 30.4 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -120.5 | -173.9 | -165.4 | 69.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 550 | P | 39.3 | Very low | 30.6 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | cis | -148.5 | -174.4 | 27.3 | 40 | -16.1 | 0 | 0 | 0 | 119.4 | ||||
| 551 | K | 24 | Very low | 30.9 | Very low | 201 Ų | 201 | 145.9 Ų | 145.9 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 85.5 | 141.6 | 167.2 | -52.9 | 174 | -177.2 | 178.8 | 0 | 117.9 | ||||
| 552 | A | 26.5 | Very low | 31.4 | Very low | 88 Ų | 88 | 144.3 Ų | 144.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -168.3 | 117.1 | -26 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 553 | E | 30.6 | Very low | 32.9 | Very low | 192 Ų | 192 | 141 Ų | 141 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | 58.9 | 164.2 | 162.3 | -79.5 | -173.4 | -143.3 | 0 | 0 | 119 | ||||
| 554 | P | 39 | Very low | 34.6 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | cis | -133.8 | -166.9 | 13.8 | 42 | -22.9 | 0 | 0 | 0 | 116.7 | ||||
| 555 | I | 25.6 | Very low | 36.4 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 82% | 0.815 | 75% | 0.75 | S | S | * | * | trans | 85.2 | 145.4 | 165.2 | -60.6 | 162 | 0 | 0 | 0 | 116.4 | ||||
| 556 | W | 35.1 | Very low | 38.5 | Very low | 244 Ų | 244 | 134.6 Ų | 134.6 | 92% | 0.924 | 73% | 0.73 | S | S | * | * | trans | -101.6 | 174.1 | -168.3 | -83.4 | 71.7 | 0 | 0 | 0 | 114 | ||||
| 557 | E | 35.2 | Very low | 41 | Very low | 168 Ų | 168 | 127.6 Ų | 127.6 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | trans | 90.6 | 121.9 | 159.9 | -55.3 | -167.2 | -177 | 0 | 0 | 119.9 | ||||
| 558 | L | 28.5 | Very low | 43 | Very low | 169 Ų | 169 | 124 Ų | 124 | 89% | 0.885 | 68% | 0.677 | S | S | * | * | -153.4 | 133.8 | 121.9 | -155.6 | 75.8 | 0 | 0 | 0 | 110.8 | |||||
| 559 | P | 43.2 | Very low | 45.7 | Very low | 106 Ų | 106 | 127 Ų | 127 | 69% | 0.688 | 68% | 0.679 | S | S | * | * | trans | -81.2 | 174.6 | 179.9 | -17.5 | 33.3 | 0 | 0 | 0 | 116.8 | ||||
| 560 | T | 35.3 | Very low | 48.6 | Very low | 141 Ų | 141 | 123.2 Ų | 123.2 | 87% | 0.865 | 65% | 0.65 | S | S | * | * | trans | -43 | 137.3 | 176.2 | -42.1 | 0 | 0 | 0 | 0 | 115.5 | A562 | T560-A562 PolarHBondContact O-N 2.79Š| ||
| 561 | R | 34.6 | Very low | 50.8 | Low | 223 Ų | 223 | 122 Ų | 122 | 84% | 0.842 | 64% | 0.638 | S | S | * | * | trans | -81.8 | 114.7 | 178.2 | -167.4 | -174 | -158.9 | 175.3 | 9.5 | 112.1 | ||||
| 562 | A | 40.4 | Very low | 53.7 | Low | 78 Ų | 78 | 112.4 Ų | 112.4 | 65% | 0.645 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -64 | 155.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T560 | T560-A562 PolarHBondContact O-N 2.79Š|
| 563 | P | 54.2 | Low | 56.2 | Low | 107 Ų | 107 | 110.4 Ų | 110.4 | 70% | 0.695 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 144.4 | 171.2 | 29.7 | -35 | 0 | 0 | 0 | 111.4 | ||
| 564 | R | 58.1 | Low | 58.5 | Low | 187 Ų | 187 | 104.6 Ų | 104.6 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 131.8 | 177.1 | -74.5 | 180 | 169.5 | 175.1 | -7.2 | 111.3 | S573 | R564-S573 WeakPolarHBondContact CA-OG 3.28Š|
| 565 | L | 76.9 | Confident | 60.2 | Low | 25 Ų | 25 | 100 Ų | 100 | 13% | 0.131 | 52% | 0.522 | C | S | . | . | trans | -101.9 | 80.3 | 175.5 | -66.6 | 173.2 | 0 | 0 | 0 | 109 | F572 S573 | L565-F572 HydrophobicContact CB-CB 4.29Å; L565-F572 CarbonylContact O-C 3.55Å; L565-F572 WeakPolarHBondContact O-CA 3.28Å; L565-F572 WeakPolarHBondContact O-CB 3.27Å; L565-F572 PolarHBondContact O-N 3.49Å; L565-S573 PolarHBondContact N-OG 3.19Å; L565-S573 PolarHBondContact O-N 2.93Å | ||
| 566 | S | 73.8 | Confident | 62.3 | Low | 53 Ų | 53 | 93.7 Ų | 93.7 | 37% | 0.371 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126 | 180 | 58.2 | 0 | 0 | 0 | 0 | 111.3 | L570 | S566-L570 CarbonylContact C-O 3.4Å; S566-L570 VanDerWaalsContact CA-O 3.3Å; S566-L570 WeakPolarHBondContact CA-O 3.32Å |
| 567 | I | 79.4 | Confident | 63.7 | Low | 6 Ų | 6 | 89.4 Ų | 89.4 | 3% | 0.031 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 98.1 | 177.5 | -57.3 | 179.6 | 0 | 0 | 0 | 107.4 | D569 L570 F572 E820 A824 L969 V972 | I567-D569 PolarHBondContact O-N 3.38Å; I567-L570 PolarHBondContact N-O 3.12Å; I567-L570 PolarHBondContact O-N 2.65Å; I567-L570 VanDerWaalsContact O-N 3.15Å; I567-F572 HydrophobicContact CB-CE2 4.2Å; I567-F572 HydrophobicContact CD1-CD2 4.35Å; I567-F572 HydrophobicContact CD1-CE2 4.09Å; I567-F572 HydrophobicContact CG1-CD2 4.28Å; I567-F572 HydrophobicContact CG1-CE2 4.21Å; I567-E820 HydrophobicContact CG2-CG 4.11Å; I567-A824 HydrophobicContact CG2-CB 4.1Å; I567-L969 HydrophobicContact CD1-CD2 3.7Å; I567-L969 HydrophobicContact CD1-CG 3.96Å; I567-V972 HydrophobicContact CD1-CB 4.18Å; I567-V972 HydrophobicContact CD1-CG1 4.47Å; I567-V972 HydrophobicContact CD1-CG2 3.87Å |
| 568 | G | 76.8 | Confident | 65.1 | Low | 38 Ų | 38 | 88.3 Ų | 88.3 | 39% | 0.392 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | -120.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 569 | D | 79.8 | Confident | 67.2 | Low | 165 Ų | 165 | 82 Ų | 82 | 88% | 0.882 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -0.3 | 177.4 | 45.2 | -45.4 | 0 | 0 | 0 | 114.1 | I567 | I567-D569 PolarHBondContact O-N 3.38Š|
| 570 | L | 84.5 | Confident | 68.5 | Low | 31 Ų | 31 | 78.6 Ų | 78.6 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 130.3 | 174.2 | -56.6 | 176.9 | 0 | 0 | 0 | 111.4 | S566 I567 F572 A824 E825 F828 | S566-L570 CarbonylContact C-O 3.4Å; S566-L570 VanDerWaalsContact CA-O 3.3Å; S566-L570 WeakPolarHBondContact CA-O 3.32Å; I567-L570 PolarHBondContact N-O 3.12Å; I567-L570 PolarHBondContact O-N 2.65Å; I567-L570 VanDerWaalsContact O-N 3.15Å; L570-F572 HydrophobicContact CB-CE2 3.81Å; L570-F572 HydrophobicContact CB-CZ 4.32Å; L570-A824 HydrophobicContact CD1-CB 3.85Å; L570-E825 HydrophobicContact CD1-CG 4.19Å; L570-F828 HydrophobicContact CB-CD2 4.09Å; L570-F828 HydrophobicContact CB-CG 4.42Å; L570-F828 HydrophobicContact CD1-CB 4.12Å; L570-F828 HydrophobicContact CD2-CB 4.39Å; L570-F828 HydrophobicContact CD2-CD1 3.95Å; L570-F828 HydrophobicContact CD2-CD2 4.27Å; L570-F828 HydrophobicContact CD2-CE1 4.26Å; L570-F828 HydrophobicContact CD2-CG 3.94Å |
| 571 | D | 84.9 | Confident | 70.1 | Confident | 79 Ų | 79 | 77.3 Ų | 77.3 | 42% | 0.422 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 122.7 | -176.3 | -162.7 | 3.2 | 0 | 0 | 0 | 113.3 | S573 F828 K831 | D571-S573 WeakPolarHBondContact OD1-CB 3.44Å; D571-S573 PolarHBondContact OD1-N 2.83Å; D571-S573 PolarHBondContact OD1-OG 2.8Å; D571-F828 WeakPolarHBondContact O-CE2 3.36Å; D571-K831 PolarHBondContact O-NZ 2.88Å |
| 572 | F | 85.4 | Confident | 71.8 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -121.8 | 17.4 | 177.4 | -54.6 | -88.4 | 0 | 0 | 0 | 111.3 | L565 I567 L570 D574 L575 L827 F828 K831 V972 V976 | L565-F572 HydrophobicContact CB-CB 4.29Å; L565-F572 CarbonylContact O-C 3.55Å; L565-F572 WeakPolarHBondContact O-CA 3.28Å; L565-F572 WeakPolarHBondContact O-CB 3.27Å; L565-F572 PolarHBondContact O-N 3.49Å; I567-F572 HydrophobicContact CB-CE2 4.2Å; I567-F572 HydrophobicContact CD1-CD2 4.35Å; I567-F572 HydrophobicContact CD1-CE2 4.09Å; I567-F572 HydrophobicContact CG1-CD2 4.28Å; I567-F572 HydrophobicContact CG1-CE2 4.21Å; L570-F572 HydrophobicContact CB-CE2 3.81Å; L570-F572 HydrophobicContact CB-CZ 4.32Å; F572-D574 PolarHBondContact O-N 3.13Å; F572-D574 VanDerWaalsContact O-N 3.1Å; F572-L575 HydrophobicContact CB-CD1 3.86Å; F572-L575 HydrophobicContact CB-CG 4.07Å; F572-L575 HydrophobicContact CD1-CD1 3.97Å; F572-L575 HydrophobicContact CG-CD1 4.36Å; F572-L575 WeakPolarHBondContact O-CB 3.38Å; F572-L575 WeakPolarHBondContact O-CG 3.46Å; F572-L575 PolarHBondContact O-N 2.81Å; F572-L827 HydrophobicContact CE1-CB 4.48Å; F572-F828 HydrophobicContact CE1-CB 3.95Å; F572-F828 HydrophobicContact CE1-CD2 4.01Å; F572-F828 HydrophobicContact CE1-CG 4.5Å; F572-F828 HydrophobicContact CZ-CB 3.75Å; F572-F828 HydrophobicContact CZ-CD2 4.03Å; F572-F828 HydrophobicContact CZ-CG 4.4Å; F572-K831 HydrophobicContact CD1-CD 4.43Å; F572-V972 HydrophobicContact CB-CG1 4.48Å; F572-V972 HydrophobicContact CB-CG2 3.9Å; F572-V972 HydrophobicContact CD1-CG1 3.46Å; F572-V972 VanDerWaalsContact CD1-CG1 3.46Å; F572-V972 HydrophobicContact CD1-CG2 4.39Å; F572-V972 HydrophobicContact CD2-CG1 4.03Å; F572-V972 HydrophobicContact CD2-CG2 3.98Å; F572-V972 HydrophobicContact CE1-CG1 3.43Å; F572-V972 VanDerWaalsContact CE1-CG1 3.43Å; F572-V972 HydrophobicContact CE2-CG1 4.02Å; F572-V972 HydrophobicContact CG-CG1 3.75Å; F572-V972 HydrophobicContact CG-CG2 3.86Å; F572-V972 HydrophobicContact CZ-CG1 3.72Å; F572-V976 HydrophobicContact CD1-CG2 4.44Å; F572-V976 HydrophobicContact CE1-CG2 4.46Å | ||
| 573 | S | 78.8 | Confident | 73.2 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -7.2 | -176.1 | -56.1 | 0 | 0 | 0 | 0 | 114.9 | R564 L565 D571 | R564-S573 WeakPolarHBondContact CA-OG 3.28Å; L565-S573 PolarHBondContact N-OG 3.19Å; L565-S573 PolarHBondContact O-N 2.93Å; D571-S573 WeakPolarHBondContact OD1-CB 3.44Å; D571-S573 PolarHBondContact OD1-N 2.83Å; D571-S573 PolarHBondContact OD1-OG 2.8Å |
| 574 | D | 78.5 | Confident | 73.9 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -5.6 | 171.2 | 64 | -67.8 | 0 | 0 | 0 | 113.6 | F572 G576 K831 R979 | F572-D574 PolarHBondContact O-N 3.13Å; F572-D574 VanDerWaalsContact O-N 3.1Å; D574-G576 PolarHBondContact O-N 2.87Å; D574-K831 VanDerWaalsContact CG-CE 3.46Å; D574-K831 WeakPolarHBondContact OD1-CE 3.34Å; D574-K831 IonicContact OD1-NZ 3.75Å; D574-K831 PolarHBondContact OD1-NZ 2.62Å; D574-K831 WeakPolarHBondContact OD2-CE 3.18Å; D574-K831 IonicContact OD2-NZ 3.19Å; D574-K831 PolarHBondContact OD2-NZ 3.29Å; D574-R979 IonicContact OD2-CZ 3.72Å; D574-R979 IonicContact OD2-NH1 3.54Å; D574-R979 IonicContact OD2-NH2 3.47Å; D574-R979 PolarHBondContact OD2-NH2 3.44Å |
| 575 | L | 75 | Confident | 74.1 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | trans | -79.5 | 102.2 | 173.4 | -55.9 | -172.2 | 0 | 0 | 0 | 109.6 | F572 E579 K831 V972 R975 V976 | F572-L575 HydrophobicContact CB-CD1 3.86Å; F572-L575 HydrophobicContact CB-CG 4.07Å; F572-L575 HydrophobicContact CD1-CD1 3.97Å; F572-L575 HydrophobicContact CG-CD1 4.36Å; F572-L575 WeakPolarHBondContact O-CB 3.38Å; F572-L575 WeakPolarHBondContact O-CG 3.46Å; F572-L575 PolarHBondContact O-N 2.81Å; L575-E579 WeakPolarHBondContact CA-OE2 3.45Å; L575-E579 VanDerWaalsContact CB-OE2 3.32Å; L575-E579 WeakPolarHBondContact CB-OE2 3.37Å; L575-E579 VanDerWaalsContact CD2-OE2 3.26Å; L575-E579 WeakPolarHBondContact CD2-OE2 3.35Å; L575-K831 HydrophobicContact CD2-CG 4.32Å; L575-V972 HydrophobicContact CD1-CG1 4.38Å; L575-R975 HydrophobicContact CB-CB 4.07Å; L575-R975 HydrophobicContact CD1-CB 3.89Å; L575-R975 PolarHBondContact O-NH1 2.93Å; L575-V976 HydrophobicContact CD1-CG2 3.65Å | ||
| 576 | G | 70.7 | Confident | 73 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | trans | -71.9 | 171.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D574 D578 E579 R975 | D574-G576 PolarHBondContact O-N 2.87Å; G576-D578 PolarHBondContact O-N 2.91Å; G576-E579 PolarHBondContact O-N 2.8Å; G576-R975 VanDerWaalsContact O-CD 3.32Å; G576-R975 WeakPolarHBondContact O-CD 3.24Å; G576-R975 PolarHBondContact O-NE 2.94Å; G576-R975 PolarHBondContact O-NH1 3.48Å; G576-R975 VanDerWaalsContact O-NH1 3.11Å | ||
| 577 | E | 64.5 | Low | 71.6 | Confident | 154 Ų | 154 | 64.9 Ų | 64.9 | 72% | 0.72 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -69.4 | -25.1 | 170.5 | -62.3 | -172.1 | 159.7 | 0 | 0 | 111.5 | E579 D580 | E577-E579 PolarHBondContact O-N 3.32Å; E577-D580 WeakPolarHBondContact O-CB 3.39Å; E577-D580 PolarHBondContact O-N 3.25Å |
| 578 | D | 63.9 | Low | 69.7 | Low | 145 Ų | 145 | 69.6 Ų | 69.6 | 78% | 0.775 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -57.8 | -31.4 | 173.1 | -47.1 | -85.9 | 0 | 0 | 0 | 112.4 | G576 D580 | G576-D578 PolarHBondContact O-N 2.91Å; D578-D580 VanDerWaalsContact C-N 3.31Å; D578-D580 PolarHBondContact O-N 3.09Å |
| 579 | E | 72.5 | Confident | 67.8 | Low | 36 Ų | 36 | 73.2 Ų | 73.2 | 17% | 0.168 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -81.3 | -3 | 177.7 | -63.7 | -178.6 | 152.7 | 0 | 0 | 113.5 | L575 G576 E577 Q581 R975 N978 R979 | L575-E579 WeakPolarHBondContact CA-OE2 3.45Å; L575-E579 VanDerWaalsContact CB-OE2 3.32Å; L575-E579 WeakPolarHBondContact CB-OE2 3.37Å; L575-E579 VanDerWaalsContact CD2-OE2 3.26Å; L575-E579 WeakPolarHBondContact CD2-OE2 3.35Å; G576-E579 PolarHBondContact O-N 2.8Å; E577-E579 PolarHBondContact O-N 3.32Å; E579-Q581 VanDerWaalsContact C-N 3.32Å; E579-R975 HydrophobicContact CB-CB 4.01Å; E579-R975 HydrophobicContact CB-CG 4.02Å; E579-N978 VanDerWaalsContact O-CB 3.23Å; E579-N978 WeakPolarHBondContact O-CB 3.37Å; E579-N978 PolarHBondContact O-ND2 3.19Å; E579-R979 WeakPolarHBondContact OE1-CD 3.06Å; E579-R979 VanDerWaalsContact OE1-CG 3.26Å; E579-R979 WeakPolarHBondContact OE1-CG 3.33Å; E579-R979 IonicContact OE1-CZ 2.77Å; E579-R979 IonicContact OE1-NE 3.34Å; E579-R979 IonicContact OE1-NH1 2.75Å; E579-R979 PolarHBondContact OE1-NH1 2.94Å; E579-R979 IonicContact OE2-NH1 3.59Å |
| 580 | D | 70.8 | Confident | 65.6 | Low | 36 Ų | 36 | 74 Ų | 74 | 19% | 0.193 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -70.9 | -31.4 | 169.2 | -79.3 | -37 | 0 | 0 | 0 | 111.2 | E577 D578 R974 R975 N978 | E577-D580 WeakPolarHBondContact O-CB 3.39Å; E577-D580 PolarHBondContact O-N 3.25Å; D578-D580 VanDerWaalsContact C-N 3.31Å; D578-D580 PolarHBondContact O-N 3.09Å; D580-R974 PolarHBondContact O-NE 3.15Å; D580-R974 PolarHBondContact O-NH2 2.81Å; D580-R975 VanDerWaalsContact CG-NE 3.32Å; D580-R975 WeakPolarHBondContact OD1-CG 3.41Å; D580-R975 IonicContact OD1-CZ 3.8Å; D580-R975 IonicContact OD1-NE 3.9Å; D580-R975 PolarHBondContact OD1-NE 3.39Å; D580-R975 IonicContact OD1-NH2 3.93Å; D580-R975 IonicContact OD2-CZ 3.12Å; D580-R975 IonicContact OD2-NE 2.77Å; D580-R975 PolarHBondContact OD2-NE 3.47Å; D580-R975 IonicContact OD2-NH2 3.59Å; D580-R975 PolarHBondContact OD2-NH2 2.98Å; D580-N978 PolarHBondContact O-ND2 3.13Å |
| 581 | Q | 67.7 | Low | 63.3 | Low | 114 Ų | 114 | 77.4 Ų | 77.4 | 53% | 0.533 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -86.5 | 120.4 | 178.2 | -164.8 | 65.7 | 13.1 | 0 | 0 | 110.2 | E579 M583 | E579-Q581 VanDerWaalsContact C-N 3.32Å; Q581-M583 PolarHBondContact O-N 3.13Å; Q581-M583 VanDerWaalsContact O-N 3.12Å |
| 582 | D | 71.6 | Confident | 61.2 | Low | 24 Ų | 24 | 76.7 Ų | 76.7 | 13% | 0.128 | 44% | 0.442 | C | S | . | . | trans | -68 | 111.1 | 172.8 | 177 | 15.7 | 0 | 0 | 0 | 109.2 | L584 N585 N978 H981 | D582-L584 PolarHBondContact O-N 3.49Å; D582-L584 VanDerWaalsContact O-N 3.07Å; D582-L584 WeakPolarHBondContact OD1-CB 3.39Å; D582-L584 WeakPolarHBondContact OD1-CG 3.41Å; D582-L584 PolarHBondContact OD1-N 3.26Å; D582-N585 WeakPolarHBondContact CB-ND2 3.29Å; D582-N585 PolarHBondContact O-N 3.08Å; D582-N585 PolarHBondContact OD2-ND2 3.44Å; D582-N978 PolarHBondContact N-ND2 3.2Å; D582-H981 IonicContact OD1-CE1 3.61Å; D582-H981 IonicContact OD1-CG 2.66Å; D582-H981 IonicContact OD1-ND1 2.71Å; D582-H981 PolarHBondContact OD1-ND1 3.15Å; D582-H981 IonicContact OD2-CE1 3.76Å; D582-H981 IonicContact OD2-ND1 3.96Å | ||
| 583 | M | 69.3 | Low | 58.7 | Low | 113 Ų | 113 | 85.6 Ų | 85.6 | 56% | 0.557 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -54.5 | -29.4 | -177.2 | -70.2 | -171.7 | 71.1 | 0 | 0 | 112.6 | Q581 N585 V586 A982 L985 | Q581-M583 PolarHBondContact O-N 3.13Å; Q581-M583 VanDerWaalsContact O-N 3.12Å; M583-N585 PolarHBondContact O-N 2.98Å; M583-V586 PolarHBondContact O-N 3.27Å; M583-A982 HydrophobicContact SD-CB 3.77Å; M583-L985 HydrophobicContact CB-CD1 4.14Å |
| 584 | L | 68.9 | Low | 56.4 | Low | 3 Ų | 3 | 89.7 Ų | 89.7 | 2% | 0.016 | 50% | 0.499 | C | S | . | . | G | 310 helix | trans | -63.5 | -22 | -179.9 | -57 | 179 | 0 | 0 | 0 | 112.8 | D582 H981 L985 P991 A994 R995 | D582-L584 PolarHBondContact O-N 3.49Å; D582-L584 VanDerWaalsContact O-N 3.07Å; D582-L584 WeakPolarHBondContact OD1-CB 3.39Å; D582-L584 WeakPolarHBondContact OD1-CG 3.41Å; D582-L584 PolarHBondContact OD1-N 3.26Å; L584-H981 HydrophobicContact CD1-CB 3.77Å; L584-H981 WeakPolarHBondContact CD1-ND1 3.45Å; L584-H981 HydrophobicContact CG-CB 4.01Å; L584-L985 HydrophobicContact CD2-CD1 3.95Å; L584-L985 HydrophobicContact CD2-CD2 3.86Å; L584-L985 HydrophobicContact CD2-CG 4.03Å; L584-P991 HydrophobicContact CD2-CB 4.12Å; L584-A994 HydrophobicContact CD1-CB 4.19Å; L584-A994 HydrophobicContact CD2-CB 3.91Å; L584-R995 HydrophobicContact CD1-CG 3.72Å; L584-R995 PolarHBondContact O-NH1 3.36Å; L584-R995 PolarHBondContact O-NH2 3.05Å |
| 585 | N | 62.4 | Low | 54.1 | Low | 70 Ų | 70 | 94.1 Ų | 94.1 | 37% | 0.374 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -92.8 | -0.9 | -173.5 | -64.4 | -38.2 | 0 | 0 | 0 | 114.6 | D582 M583 E587 R995 | D582-N585 WeakPolarHBondContact CB-ND2 3.29Å; D582-N585 PolarHBondContact O-N 3.08Å; D582-N585 PolarHBondContact OD2-ND2 3.44Å; M583-N585 PolarHBondContact O-N 2.98Å; N585-E587 VanDerWaalsContact C-N 3.33Å; N585-E587 PolarHBondContact O-N 3.01Å; N585-R995 PolarHBondContact OD1-NH2 3.33Å |
| 586 | V | 55 | Low | 52 | Low | 69 Ų | 69 | 99.7 Ų | 99.7 | 42% | 0.418 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -68.4 | -30.1 | -177.3 | 179.9 | 0 | 0 | 0 | 0 | 112.7 | M583 S588 V589 | M583-V586 PolarHBondContact O-N 3.27Å; V586-S588 PolarHBondContact O-N 3.32Å; V586-V589 PolarHBondContact O-N 2.88Å; V586-V589 VanDerWaalsContact O-N 3.1Å |
| 587 | E | 43.3 | Very low | 50.2 | Low | 132 Ų | 132 | 103 Ų | 103 | 62% | 0.617 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -59.3 | -11.8 | -179.9 | -63.1 | -173.5 | 126.5 | 0 | 0 | 114.5 | N585 Q992 | N585-E587 VanDerWaalsContact C-N 3.33Å; N585-E587 PolarHBondContact O-N 3.01Å; E587-Q992 PolarHBondContact OE2-NE2 3.36Å |
| 588 | S | 39.8 | Very low | 48.4 | Very low | 105 Ų | 105 | 101.6 Ų | 101.6 | 73% | 0.734 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -88.2 | -4.1 | 177.3 | -60.3 | 0 | 0 | 0 | 0 | 115.1 | V586 | V586-S588 PolarHBondContact O-N 3.32Š|
| 589 | V | 37.3 | Very low | 46.7 | Very low | 114 Ų | 114 | 100.3 Ų | 100.3 | 69% | 0.691 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | -27.2 | -167.6 | -174.4 | 0 | 0 | 0 | 0 | 114.7 | V586 A591 | V586-V589 PolarHBondContact O-N 2.88Å; V586-V589 VanDerWaalsContact O-N 3.1Å; V589-A591 PolarHBondContact O-N 3.46Å |
| 590 | E | 32.9 | Very low | 45.2 | Very low | 181 Ų | 181 | 104.1 Ų | 104.1 | 85% | 0.846 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -78.1 | 31.6 | -176.9 | -61.3 | -153.9 | 129.2 | 0 | 0 | 115.1 | ||
| 591 | A | 35.9 | Very low | 43.2 | Very low | 104 Ų | 104 | 108.4 Ų | 108.4 | 86% | 0.86 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -111.9 | 26.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | V589 | V589-A591 PolarHBondContact O-N 3.46Š|
| 592 | G | 41.2 | Very low | 41.7 | Very low | 63 Ų | 63 | 110.5 Ų | 110.5 | 65% | 0.649 | 66% | 0.66 | S | S | * | * | trans | -155.7 | 73.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 593 | K | 32.8 | Very low | 40.6 | Very low | 188 Ų | 188 | 114.4 Ų | 114.4 | 82% | 0.817 | 69% | 0.686 | S | S | * | * | trans | 175.1 | 145 | 147.3 | -98.6 | -179 | 170.3 | -173.5 | 0 | 108.9 | ||||
| 594 | D | 30.7 | Very low | 38.6 | Very low | 131 Ų | 131 | 115.8 Ų | 115.8 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | cis | -146.4 | -174.7 | 0.4 | -114.6 | -45.7 | 0 | 0 | 0 | 108.5 | ||||
| 595 | I | 29.5 | Very low | 36.8 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | 97.6 | 136.9 | 178.2 | -58.8 | 176.4 | 0 | 0 | 0 | 113.9 | ||||
| 596 | P | 31.7 | Very low | 35.3 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 169.2 | -140.9 | 39.4 | -36.8 | 0 | 0 | 0 | 116.7 | ||
| 597 | A | 32.5 | Very low | 34.2 | Very low | 96 Ų | 96 | 125 Ų | 125 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 146.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 598 | P | 27.3 | Very low | 33.5 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 147.7 | 151.9 | 34.9 | -30.1 | 0 | 0 | 0 | 111.8 | ||
| 599 | S | 27.1 | Very low | 33.2 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 158.2 | 179.3 | -48.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 600 | P | 41.2 | Very low | 33.7 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -88 | 154.7 | -172.9 | 35.1 | -36.6 | 0 | 0 | 0 | 114.4 | ||
| 601 | P | 30.2 | Very low | 33.9 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 116.1 | 162.9 | 33.7 | -28.8 | 0 | 0 | 0 | 112.2 | ||
| 602 | L | 34.5 | Very low | 34.1 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -96.2 | 174.8 | 150 | -66.3 | 174.1 | 0 | 0 | 0 | 108 | ||||
| 603 | P | 49.3 | Very low | 34.4 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | cis | -127.3 | -168 | -9.3 | 37.9 | -20.4 | 0 | 0 | 0 | 112.2 | ||||
| 604 | L | 27 | Very low | 34.5 | Very low | 142 Ų | 142 | 124.5 Ų | 124.5 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | 179.1 | 109.1 | 113 | -93.3 | 166.2 | 0 | 0 | 0 | 112.9 | |||||
| 605 | L | 32.2 | Very low | 34.9 | Very low | 157 Ų | 157 | 123.9 Ų | 123.9 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 63 | 146.3 | 150.2 | -58.9 | 170.8 | 0 | 0 | 0 | 118.7 | ||||
| 606 | S | 30.8 | Very low | 35.3 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | cis | -167.8 | 148.5 | -6 | 42.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 607 | G | 30.4 | Very low | 35.7 | Very low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | cis | 173.4 | 163.9 | -6.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 608 | V | 29.5 | Very low | 36.1 | Very low | 143 Ų | 143 | 121.8 Ų | 121.8 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | 49.3 | 133.1 | 134.6 | -177.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 609 | P | 33.5 | Very low | 37.2 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | cis | -141.3 | -176.7 | -26.5 | 40.4 | -19.9 | 0 | 0 | 0 | 115.1 | ||||
| 610 | P | 47.8 | Very low | 37.5 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -93.5 | 179.1 | 168.8 | 39.8 | -37.5 | 0 | 0 | 0 | 113.2 | ||||
| 611 | P | 36.9 | Very low | 37.1 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | -156.2 | -145 | 90.8 | 49.6 | -27.2 | 0 | 0 | 0 | 114.4 | |||||
| 612 | P | 39.8 | Very low | 37.1 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -128.5 | -120.4 | -131.6 | 34.3 | -3.8 | 0 | 0 | 0 | 117.6 | ||||
| 613 | P | 48.5 | Very low | 37.4 | Very low | 107 Ų | 107 | 122.4 Ų | 122.4 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | trans | -124.2 | -157.4 | -139.4 | 36.3 | -11.8 | 0 | 0 | 0 | 116.4 | ||||
| 614 | L | 33.3 | Very low | 36.6 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 111.1 | 158.9 | 164.4 | -58.8 | 173.8 | 0 | 0 | 0 | 116.8 | ||||
| 615 | P | 39.6 | Very low | 37.2 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -117.2 | -92.6 | -135.7 | 22.4 | 2.6 | 0 | 0 | 0 | 124 | ||||
| 616 | P | 39.3 | Very low | 37.6 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | -128 | -153.7 | -141.7 | 43.8 | -22.9 | 0 | 0 | 0 | 113.8 | ||||
| 617 | P | 38.9 | Very low | 38 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | cis | -127.1 | -91.5 | -6.6 | 22.8 | 4.6 | 0 | 0 | 0 | 120.8 | ||||
| 618 | P | 42.1 | Very low | 38.8 | Very low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | -124.2 | -143 | -144.2 | 35.2 | -10 | 0 | 0 | 0 | 116.3 | ||||
| 619 | P | 50.3 | Low | 39.1 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | -117.4 | -174.7 | -90.7 | 41.3 | -26.1 | 0 | 0 | 0 | 114.4 | |||||
| 620 | I | 31.9 | Very low | 39.5 | Very low | 149 Ų | 149 | 127 Ų | 127 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -168.5 | 125.1 | 148.9 | -107.2 | 151.9 | 0 | 0 | 0 | 116.8 | ||||
| 621 | K | 32.6 | Very low | 39.1 | Very low | 193 Ų | 193 | 127.4 Ų | 127.4 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | 51.5 | 143 | 144.7 | -54.9 | 168.9 | -174.7 | 172.3 | 0 | 123.6 | ||||
| 622 | G | 30.6 | Very low | 38.9 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -91.7 | -153.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 623 | P | 41.6 | Very low | 38.3 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | cis | -147 | -172.3 | 44.5 | 42.6 | -22 | 0 | 0 | 0 | 118.2 | ||||
| 624 | F | 32.8 | Very low | 37.6 | Very low | 196 Ų | 196 | 128.1 Ų | 128.1 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -64.1 | 169.4 | 162.2 | -71.7 | -81.1 | 0 | 0 | 0 | 112.7 | ||||
| 625 | P | 39.1 | Very low | 37.7 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | cis | -141.9 | -126.3 | 40.9 | 31.7 | -2.1 | 0 | 0 | 0 | 118 | ||||
| 626 | P | 39.6 | Very low | 37.4 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | -125.2 | -165.7 | -104.4 | 46.4 | -28.3 | 0 | 0 | 0 | 116 | |||||
| 627 | P | 40 | Very low | 37.6 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -100.6 | -162.6 | -162.3 | 45.4 | -40.1 | 0 | 0 | 0 | 114 | ||||
| 628 | P | 46.8 | Very low | 37.1 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -119.1 | -119 | -2.4 | 36.7 | -12.9 | 0 | 0 | 0 | 113 | ||||
| 629 | P | 36.9 | Very low | 36.3 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -131.6 | -162.6 | 11.9 | 45.5 | -26.1 | 0 | 0 | 0 | 116.4 | ||||
| 630 | L | 40.8 | Very low | 35.3 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -131.4 | 165.5 | 162.3 | -75.5 | 170.2 | 0 | 0 | 0 | 108.9 | ||||
| 631 | P | 40.1 | Very low | 35.6 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | -150.7 | 178.5 | 112.6 | 38.4 | -20.5 | 0 | 0 | 0 | 117.1 | |||||
| 632 | L | 31.7 | Very low | 35.2 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -86.5 | 164.2 | -172.4 | -55.4 | 67.9 | 0 | 0 | 0 | 114.2 | ||||
| 633 | A | 27.7 | Very low | 34.9 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | -174.7 | 155.9 | 116.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 634 | A | 33.9 | Very low | 34.3 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -126.6 | 173.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 635 | P | 36.1 | Very low | 34 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | -150.6 | 169.3 | 97.9 | 39.6 | -22.3 | 0 | 0 | 0 | 117.3 | |||||
| 636 | L | 33.3 | Very low | 34.1 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -87.9 | -175.7 | 165 | -81.5 | 164.7 | 0 | 0 | 0 | 109.6 | ||||
| 637 | P | 43.8 | Very low | 33.8 | Very low | 93 Ų | 93 | 127.3 Ų | 127.3 | 60% | 0.604 | 79% | 0.794 | S | S | * | * | cis | -154.5 | -177.5 | 28.3 | 36.2 | -9.3 | 0 | 0 | 0 | 120.9 | ||||
| 638 | H | 27.5 | Very low | 33.4 | Very low | 181 Ų | 181 | 127.4 Ų | 127.4 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | 74 | 149.2 | 164.1 | -49.6 | -53 | 0 | 0 | 0 | 118.1 | ||||
| 639 | S | 25.9 | Very low | 33.2 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | cis | -144.2 | 156.9 | 5.9 | 52.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 640 | V | 28.4 | Very low | 33.7 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | -86.5 | 171.9 | 170.7 | -82 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 641 | P | 37.5 | Very low | 34.2 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | -144.7 | -172.5 | 26.7 | 44.6 | -23.4 | 0 | 0 | 0 | 119.5 | ||||
| 642 | D | 24.2 | Very low | 34.8 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -14.9 | 143.5 | 170.5 | -67.5 | -71.5 | 0 | 0 | 0 | 120.1 | ||||
| 643 | S | 25.2 | Very low | 36 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | -174.7 | 146.4 | 73.6 | 38.4 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 644 | S | 29.1 | Very low | 37.4 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | 40.3 | 101.8 | 148.4 | -178.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 645 | A | 26.8 | Very low | 38.6 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 79% | 0.793 | 74% | 0.742 | S | S | * | * | trans | -154.9 | 151.6 | 135.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 646 | L | 39.8 | Very low | 39.2 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 80% | 0.801 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -94 | 151.5 | 178.2 | -65.2 | 79 | 0 | 0 | 0 | 111.6 | ||
| 647 | P | 34.7 | Very low | 40.7 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 125.8 | 143.6 | 32.4 | -26.4 | 0 | 0 | 0 | 110.4 | ||
| 648 | T | 30.9 | Very low | 41.4 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 140.1 | 178.5 | 36.6 | 0 | 0 | 0 | 0 | 112 | R650 | T648-R650 PolarHBondContact O-N 3.01Š|
| 649 | K | 42.8 | Very low | 42.9 | Very low | 214 Ų | 214 | 141.6 Ų | 141.6 | 93% | 0.93 | 74% | 0.741 | S | S | * | * | trans | -86 | 109 | 174.9 | -69 | 175 | -177.7 | 170.1 | 0 | 109.9 | ||||
| 650 | R | 46.6 | Very low | 44.3 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 60% | 0.604 | 74% | 0.736 | S | S | * | * | trans | -110.5 | 152.1 | 164.1 | -74 | -179.5 | 149.9 | 150.9 | -7.9 | 110.3 | T648 E698 | T648-R650 PolarHBondContact O-N 3.01Å; R650-E698 WeakPolarHBondContact CD-OE1 3.16Å; R650-E698 WeakPolarHBondContact CG-OE1 3.38Å; R650-E698 IonicContact CZ-OE1 3.51Å; R650-E698 IonicContact CZ-OE2 3.92Å; R650-E698 IonicContact NE-OE1 2.71Å; R650-E698 PolarHBondContact NE-OE1 2.96Å; R650-E698 IonicContact NE-OE2 3.76Å; R650-E698 IonicContact NH2-OE1 3.44Å; R650-E698 PolarHBondContact NH2-OE1 3.42Å; R650-E698 IonicContact NH2-OE2 3.34Å; R650-E698 PolarHBondContact NH2-OE2 3.16Å | ||
| 651 | K | 51.9 | Low | 45.2 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | -132.2 | 114.1 | 175.4 | -73.5 | -177.3 | 178.7 | 177.5 | 0 | 108.6 | ||||
| 652 | T | 52.4 | Low | 46.1 | Very low | 75 Ų | 75 | 145.9 Ų | 145.9 | 46% | 0.46 | 73% | 0.733 | S | S | . | * | B | Isolated β-bridge | trans | -79.9 | 162.8 | 166.7 | 45.1 | 0 | 0 | 0 | 0 | 110.8 | K654 E694 F697 | T652-K654 PolarHBondContact O-N 3.45Å; T652-E694 HydrophobicContact CG2-CB 4.5Å; T652-E694 HydrophobicContact CG2-CG 4.16Å; T652-F697 WeakPolarHBondContact CA-O 3.04Å; T652-F697 HydrophobicContact CG2-CB 4.38Å |
| 653 | V | 58.1 | Low | 46.8 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 55% | 0.545 | 73% | 0.733 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 119.8 | 174 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | F697 | V653-F697 HydrophobicContact CB-CD1 4.26Å; V653-F697 HydrophobicContact CG2-CB 4.35Å; V653-F697 HydrophobicContact CG2-CD1 4.11Å; V653-F697 PolarHBondContact N-O 3.33Å |
| 654 | K | 56.5 | Low | 47.8 | Very low | 158 Ų | 158 | 142 Ų | 142 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 116.8 | -178.9 | -174.6 | 157.9 | -174.9 | 159.9 | 0 | 111 | T652 F656 | T652-K654 PolarHBondContact O-N 3.45Å; K654-F656 VanDerWaalsContact O-CD2 3.23Å; K654-F656 WeakPolarHBondContact O-CD2 3.4Å; K654-F656 VanDerWaalsContact O-CE2 3.27Å; K654-F656 WeakPolarHBondContact O-CE2 3.46Å |
| 655 | L | 59.3 | Low | 48.3 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 59% | 0.586 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 139.7 | 171.6 | -59.6 | 177.1 | 0 | 0 | 0 | 110.5 | W657 | L655-W657 HydrophobicContact CB-CE3 4.11Å; L655-W657 HydrophobicContact CB-CZ3 4.25Å; L655-W657 HydrophobicContact CD1-CE3 4.08Å; L655-W657 HydrophobicContact CD1-CH2 4.18Å; L655-W657 HydrophobicContact CD1-CZ3 3.54Å |
| 656 | F | 48.9 | Very low | 49 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | -111.3 | 48.4 | -176.3 | -69.3 | -78.9 | 0 | 0 | 0 | 112.2 | K654 | K654-F656 VanDerWaalsContact O-CD2 3.23Å; K654-F656 WeakPolarHBondContact O-CD2 3.4Å; K654-F656 VanDerWaalsContact O-CE2 3.27Å; K654-F656 WeakPolarHBondContact O-CE2 3.46Å | ||
| 657 | W | 63.5 | Low | 49.5 | Very low | 189 Ų | 189 | 141 Ų | 141 | 72% | 0.716 | 74% | 0.738 | S | S | * | * | trans | -67.4 | 157.7 | 169 | 53.6 | 52.6 | 0 | 0 | 0 | 111.6 | L655 E659 | L655-W657 HydrophobicContact CB-CE3 4.11Å; L655-W657 HydrophobicContact CB-CZ3 4.25Å; L655-W657 HydrophobicContact CD1-CE3 4.08Å; L655-W657 HydrophobicContact CD1-CH2 4.18Å; L655-W657 HydrophobicContact CD1-CZ3 3.54Å; W657-E659 PolarHBondContact O-N 3.5Å | ||
| 658 | R | 60.2 | Low | 49.6 | Very low | 242 Ų | 242 | 142.2 Ų | 142.2 | 91% | 0.913 | 74% | 0.743 | S | S | * | * | trans | -89.7 | 102.7 | 176 | -179.2 | 176.1 | 171 | -176.6 | -4.3 | 109.5 | L660 | R658-L660 PolarHBondContact O-N 2.94Š| ||
| 659 | E | 57.4 | Low | 50.2 | Low | 141 Ų | 141 | 141.9 Ų | 141.9 | 66% | 0.659 | 75% | 0.745 | S | S | * | * | trans | -54.7 | 123.2 | -178.2 | -67.3 | 171.1 | 179.8 | 0 | 0 | 112.6 | W657 K661 | W657-E659 PolarHBondContact O-N 3.5Å; E659-K661 PolarHBondContact O-N 3.5Å; E659-K661 VanDerWaalsContact O-N 3.1Å | ||
| 660 | L | 55.1 | Low | 50.2 | Low | 135 Ų | 135 | 136 Ų | 136 | 71% | 0.707 | 74% | 0.737 | S | S | * | * | trans | -76 | 92.3 | 172.6 | -80.7 | 162.7 | 0 | 0 | 0 | 109.7 | R658 L662 W680 | R658-L660 PolarHBondContact O-N 2.94Å; L660-L662 PolarHBondContact O-N 3.36Å; L660-W680 HydrophobicContact CD1-CZ2 3.88Å | ||
| 661 | K | 48.4 | Very low | 50.2 | Low | 186 Ų | 186 | 132.3 Ų | 132.3 | 81% | 0.809 | 74% | 0.736 | S | S | * | * | trans | -71.1 | 87.8 | 175.6 | -67.8 | -168.6 | 176.4 | -172.2 | 0 | 111.2 | E659 A663 | E659-K661 PolarHBondContact O-N 3.5Å; E659-K661 VanDerWaalsContact O-N 3.1Å; K661-A663 PolarHBondContact O-N 3.17Å; K661-A663 VanDerWaalsContact O-N 3.14Å | ||
| 662 | L | 55.9 | Low | 50 | Low | 135 Ų | 135 | 134.8 Ų | 134.8 | 71% | 0.707 | 74% | 0.74 | S | S | * | * | trans | -70.6 | 103.7 | 171.9 | -154.7 | 73.4 | 0 | 0 | 0 | 109.3 | L660 G664 T678 | L660-L662 PolarHBondContact O-N 3.36Å; L662-G664 PolarHBondContact O-N 3.13Å; L662-T678 HydrophobicContact CD1-CG2 3.93Å; L662-T678 HydrophobicContact CD2-CG2 4.37Å | ||
| 663 | A | 39.2 | Very low | 49.4 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | trans | -71.9 | 116.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | K661 G665 | K661-A663 PolarHBondContact O-N 3.17Å; K661-A663 VanDerWaalsContact O-N 3.14Å; A663-G665 PolarHBondContact O-N 3.33Å | ||
| 664 | G | 45.9 | Very low | 49.1 | Very low | 87 Ų | 87 | 137 Ų | 137 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | trans | -68.8 | 122.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L662 | L662-G664 PolarHBondContact O-N 3.13Š| ||
| 665 | G | 39.6 | Very low | 49 | Very low | 65 Ų | 65 | 136.2 Ų | 136.2 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | trans | -179.6 | 56.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | A663 | A663-G665 PolarHBondContact O-N 3.33Š| ||
| 666 | H | 42.2 | Very low | 48.4 | Very low | 199 Ų | 199 | 133.8 Ų | 133.8 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | trans | 40.7 | 99.4 | 152.1 | -72.8 | 65.3 | 0 | 0 | 0 | 119.2 | ||||
| 667 | G | 49.3 | Very low | 48.9 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | trans | 88.8 | 83.4 | 136.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 668 | V | 38.6 | Very low | 48.8 | Very low | 147 Ų | 147 | 123 Ų | 123 | 89% | 0.891 | 73% | 0.731 | S | S | * | * | trans | -135.9 | 140.1 | 152.5 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 669 | S | 42 | Very low | 49.1 | Very low | 110 Ų | 110 | 117 Ų | 117 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | trans | 1.7 | 135.1 | 171.5 | -163 | 0 | 0 | 0 | 0 | 120 | ||||
| 670 | A | 42.8 | Very low | 49.8 | Very low | 91 Ų | 91 | 118.8 Ų | 118.8 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | trans | -55.9 | 138.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 671 | S | 46.2 | Very low | 50.2 | Low | 83 Ų | 83 | 115.5 Ų | 115.5 | 58% | 0.58 | 71% | 0.709 | S | S | * | * | trans | -86.2 | 160.4 | 170.6 | -171.1 | 0 | 0 | 0 | 0 | 110.4 | F673 | S671-F673 PolarHBondContact O-N 2.85Š| ||
| 672 | R | 47.7 | Very low | 50.7 | Low | 226 Ų | 226 | 110.1 Ų | 110.1 | 85% | 0.853 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 12.7 | -174.1 | -49.9 | -174.5 | -56.9 | -135.1 | 2.3 | 114.8 | ||
| 673 | F | 39.9 | Very low | 51.3 | Low | 173 Ų | 173 | 108.5 Ų | 108.5 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | 11.3 | -162.6 | -64.5 | -74.8 | 0 | 0 | 0 | 114.3 | S671 | S671-F673 PolarHBondContact O-N 2.85Š|
| 674 | G | 52.9 | Low | 52.4 | Low | 38 Ų | 38 | 111 Ų | 111 | 39% | 0.392 | 69% | 0.687 | S | S | . | * | trans | 130.7 | -174.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | C676 | G674-C676 PolarHBondContact O-N 2.9Š| ||
| 675 | P | 53.5 | Low | 52.4 | Low | 142 Ų | 142 | 113 Ų | 113 | 92% | 0.922 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -73.9 | -23.1 | -169.2 | -20.3 | 34.2 | 0 | 0 | 0 | 115.7 | ||
| 676 | C | 48.2 | Very low | 53.4 | Low | 61 Ų | 61 | 115.9 Ų | 115.9 | 41% | 0.412 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -96 | 135.7 | -173.8 | -69.7 | 0 | 0 | 0 | 0 | 112.5 | G674 T678 A681 | G674-C676 PolarHBondContact O-N 2.9Å; C676-T678 VanDerWaalsContact C-N 3.26Å; C676-T678 PolarHBondContact O-N 3.2Å; C676-A681 HydrophobicContact CB-CB 4.36Å; C676-A681 PolarHBondContact SG-O 2.9Å |
| 677 | A | 59.1 | Low | 53.9 | Low | 107 Ų | 107 | 112 Ų | 112 | 88% | 0.884 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -68.2 | -19.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 678 | T | 60.7 | Low | 54.2 | Low | 40 Ų | 40 | 112.8 Ų | 112.8 | 25% | 0.245 | 67% | 0.673 | C | S | . | * | S | Bend | trans | -145.1 | 150.7 | 170.5 | 62.4 | 0 | 0 | 0 | 0 | 109.9 | L662 C676 W680 A681 | L662-T678 HydrophobicContact CD1-CG2 3.93Å; L662-T678 HydrophobicContact CD2-CG2 4.37Å; C676-T678 VanDerWaalsContact C-N 3.26Å; C676-T678 PolarHBondContact O-N 3.2Å; T678-W680 PolarHBondContact O-N 3.15Å; T678-A681 WeakPolarHBondContact O-CB 3.42Å; T678-A681 PolarHBondContact O-N 3.45Å |
| 679 | L | 66.6 | Low | 55.6 | Low | 116 Ų | 116 | 110.2 Ų | 110.2 | 61% | 0.607 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -55.2 | -35.2 | 175.1 | 179 | 148.5 | 0 | 0 | 0 | 112.2 | A681 S682 L683 | L679-A681 PolarHBondContact O-N 2.94Å; L679-A681 VanDerWaalsContact O-N 3.13Å; L679-S682 CarbonylContact O-C 3.6Å; L679-S682 PolarHBondContact O-N 3.21Å; L679-S682 PolarHBondContact O-OG 2.93Å; L679-S682 VanDerWaalsContact O-OG 3.12Å; L679-L683 HydrophobicContact CD2-CD1 3.95Å; L679-L683 HydrophobicContact CD2-CD2 4.12Å; L679-L683 HydrophobicContact CD2-CG 4.08Å |
| 680 | W | 71.3 | Confident | 56.8 | Low | 178 Ų | 178 | 109.6 Ų | 109.6 | 67% | 0.674 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -59.8 | -20.7 | 175.4 | -55.2 | 108.3 | 0 | 0 | 0 | 114.6 | L660 T678 L683 | L660-W680 HydrophobicContact CD1-CZ2 3.88Å; T678-W680 PolarHBondContact O-N 3.15Å; W680-L683 HydrophobicContact CE3-CD1 3.97Å; W680-L683 HydrophobicContact CZ3-CD1 4.33Å |
| 681 | A | 63.5 | Low | 58.1 | Low | 66 Ų | 66 | 108.4 Ų | 108.4 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -95.5 | 6.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | C676 T678 L679 | C676-A681 HydrophobicContact CB-CB 4.36Å; C676-A681 PolarHBondContact SG-O 2.9Å; T678-A681 WeakPolarHBondContact O-CB 3.42Å; T678-A681 PolarHBondContact O-N 3.45Å; L679-A681 PolarHBondContact O-N 2.94Å; L679-A681 VanDerWaalsContact O-N 3.13Å |
| 682 | S | 59.8 | Low | 59 | Low | 73 Ų | 73 | 112.8 Ų | 112.8 | 51% | 0.51 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -133.1 | 28.6 | 175.7 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | L679 | L679-S682 CarbonylContact O-C 3.6Å; L679-S682 PolarHBondContact O-N 3.21Å; L679-S682 PolarHBondContact O-OG 2.93Å; L679-S682 VanDerWaalsContact O-OG 3.12Å |
| 683 | L | 68.8 | Low | 59.5 | Low | 102 Ų | 102 | 105.6 Ų | 105.6 | 53% | 0.534 | 62% | 0.618 | S | S | . | * | trans | -104 | 128.3 | 170 | -68.4 | 176 | 0 | 0 | 0 | 109.2 | L679 W680 | L679-L683 HydrophobicContact CD2-CD1 3.95Å; L679-L683 HydrophobicContact CD2-CD2 4.12Å; L679-L683 HydrophobicContact CD2-CG 4.08Å; W680-L683 HydrophobicContact CE3-CD1 3.97Å; W680-L683 HydrophobicContact CZ3-CD1 4.33Å | ||
| 684 | D | 61 | Low | 60.8 | Low | 147 Ų | 147 | 102.3 Ų | 102.3 | 79% | 0.786 | 61% | 0.605 | S | S | * | * | trans | -72.3 | 144.3 | 177.5 | -75.1 | -55.8 | 0 | 0 | 0 | 112.3 | V686 | D684-V686 PolarHBondContact O-N 3.47Š| ||
| 685 | P | 47.2 | Very low | 61.3 | Low | 130 Ų | 130 | 107.4 Ų | 107.4 | 84% | 0.844 | 62% | 0.618 | S | S | * | * | trans | -70.1 | 101.6 | 178.2 | -18.1 | 32.3 | 0 | 0 | 0 | 112.3 | S687 | P685-S687 PolarHBondContact O-N 3.38Š| ||
| 686 | V | 61.1 | Low | 61.7 | Low | 125 Ų | 125 | 105.8 Ų | 105.8 | 76% | 0.758 | 60% | 0.601 | S | S | * | * | trans | -71.3 | 123.9 | 173.6 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | D684 V688 | D684-V686 PolarHBondContact O-N 3.47Å; V686-V688 HydrophobicContact CG1-CG2 4.34Å | ||
| 687 | S | 51.5 | Low | 61.8 | Low | 119 Ų | 119 | 108 Ų | 108 | 83% | 0.832 | 60% | 0.604 | S | S | * | * | trans | -76.2 | 126.2 | 171.9 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | P685 | P685-S687 PolarHBondContact O-N 3.38Š| ||
| 688 | V | 56.1 | Low | 62 | Low | 95 Ų | 95 | 106.1 Ų | 106.1 | 58% | 0.576 | 58% | 0.577 | S | S | * | * | trans | -121.5 | 137.1 | -178.1 | -168.8 | 0 | 0 | 0 | 0 | 109.7 | V686 T690 L693 | V686-V688 HydrophobicContact CG1-CG2 4.34Å; V688-T690 PolarHBondContact O-N 2.95Å; V688-L693 HydrophobicContact CG1-CD1 3.52Å | ||
| 689 | D | 67.6 | Low | 61.3 | Low | 93 Ų | 93 | 108.2 Ų | 108.2 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | trans | -66.2 | 99.1 | 174.9 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | A691 R692 L693 | D689-A691 VanDerWaalsContact C-N 3.34Å; D689-A691 WeakPolarHBondContact OD1-CB 3.45Å; D689-A691 PolarHBondContact OD1-N 3.39Å; D689-R692 HydrophobicContact CB-CB 4.37Å; D689-R692 PolarHBondContact OD1-N 2.99Å; D689-R692 WeakPolarHBondContact OD2-CB 3.38Å; D689-L693 PolarHBondContact O-N 3.46Å | ||
| 690 | T | 67.8 | Low | 59.9 | Low | 97 Ų | 97 | 113.3 Ų | 113.3 | 60% | 0.595 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.9 | -32.4 | 179.2 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | V688 L693 E694 | V688-T690 PolarHBondContact O-N 2.95Å; T690-L693 PolarHBondContact O-N 3.34Å; T690-E694 WeakPolarHBondContact O-CB 3.36Å; T690-E694 WeakPolarHBondContact O-CG 3.27Å; T690-E694 PolarHBondContact O-N 3.37Å |
| 691 | A | 68.9 | Low | 58.4 | Low | 65 Ų | 65 | 109.2 Ų | 109.2 | 54% | 0.537 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.2 | -42 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D689 H695 | D689-A691 VanDerWaalsContact C-N 3.34Å; D689-A691 WeakPolarHBondContact OD1-CB 3.45Å; D689-A691 PolarHBondContact OD1-N 3.39Å; A691-H695 PolarHBondContact O-N 3.3Å |
| 692 | R | 65.7 | Low | 57.1 | Low | 175 Ų | 175 | 116 Ų | 116 | 66% | 0.66 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.2 | -39.7 | 174.3 | -176.6 | 175.2 | 178.7 | -171 | -1.4 | 112.1 | D689 L696 | D689-R692 HydrophobicContact CB-CB 4.37Å; D689-R692 PolarHBondContact OD1-N 2.99Å; D689-R692 WeakPolarHBondContact OD2-CB 3.38Å; R692-L696 HydrophobicContact CG-CD1 3.96Å; R692-L696 WeakPolarHBondContact O-CB 3.38Å; R692-L696 VanDerWaalsContact O-CG 3.28Å; R692-L696 WeakPolarHBondContact O-CG 3.3Å; R692-L696 PolarHBondContact O-N 3.04Å; R692-L696 VanDerWaalsContact O-N 3.11Å |
| 693 | L | 58.7 | Low | 55.8 | Low | 76 Ų | 76 | 120.2 Ų | 120.2 | 40% | 0.398 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.4 | -40.7 | 177.4 | -75.9 | 174.1 | 0 | 0 | 0 | 113.1 | V688 D689 T690 H695 L696 F697 | V688-L693 HydrophobicContact CG1-CD1 3.52Å; D689-L693 PolarHBondContact O-N 3.46Å; T690-L693 PolarHBondContact O-N 3.34Å; L693-H695 VanDerWaalsContact C-N 3.3Å; L693-H695 PolarHBondContact O-N 3.19Å; L693-L696 PolarHBondContact O-N 3.41Å; L693-F697 HydrophobicContact CD2-CD2 4.08Å; L693-F697 HydrophobicContact CD2-CE2 3.78Å; L693-F697 WeakPolarHBondContact O-CD2 3.29Å; L693-F697 PolarHBondContact O-N 3.03Å; L693-F697 VanDerWaalsContact O-N 3.08Å |
| 694 | E | 66.8 | Low | 54 | Low | 104 Ų | 104 | 122 Ų | 122 | 49% | 0.486 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -60.1 | -40.7 | 175.2 | -79.1 | -174.9 | -175.4 | 0 | 0 | 111.8 | T652 T690 E698 | T652-E694 HydrophobicContact CG2-CB 4.5Å; T652-E694 HydrophobicContact CG2-CG 4.16Å; T690-E694 WeakPolarHBondContact O-CB 3.36Å; T690-E694 WeakPolarHBondContact O-CG 3.27Å; T690-E694 PolarHBondContact O-N 3.37Å; E694-E698 WeakPolarHBondContact O-CB 3.43Å; E694-E698 PolarHBondContact O-N 3.35Å |
| 695 | H | 63.5 | Low | 52.7 | Low | 145 Ų | 145 | 121.7 Ų | 121.7 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.8 | -39.9 | 176.3 | -175.4 | -87.2 | 0 | 0 | 0 | 113.1 | A691 L693 | A691-H695 PolarHBondContact O-N 3.3Å; L693-H695 VanDerWaalsContact C-N 3.3Å; L693-H695 PolarHBondContact O-N 3.19Å |
| 696 | L | 61.6 | Low | 52.8 | Low | 108 Ų | 108 | 121.1 Ų | 121.1 | 57% | 0.565 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.7 | -25.3 | -178.2 | -73.1 | 170.3 | 0 | 0 | 0 | 113.8 | R692 L693 | R692-L696 HydrophobicContact CG-CD1 3.96Å; R692-L696 WeakPolarHBondContact O-CB 3.38Å; R692-L696 VanDerWaalsContact O-CG 3.28Å; R692-L696 WeakPolarHBondContact O-CG 3.3Å; R692-L696 PolarHBondContact O-N 3.04Å; R692-L696 VanDerWaalsContact O-N 3.11Å; L693-L696 PolarHBondContact O-N 3.41Å |
| 697 | F | 50.8 | Low | 51.2 | Low | 107 Ų | 107 | 121 Ų | 121 | 47% | 0.469 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.1 | 17.8 | -175.4 | -67.4 | -82.7 | 0 | 0 | 0 | 114.3 | T652 V653 L693 S699 | T652-F697 WeakPolarHBondContact CA-O 3.04Å; T652-F697 HydrophobicContact CG2-CB 4.38Å; V653-F697 HydrophobicContact CB-CD1 4.26Å; V653-F697 HydrophobicContact CG2-CB 4.35Å; V653-F697 HydrophobicContact CG2-CD1 4.11Å; V653-F697 PolarHBondContact N-O 3.33Å; L693-F697 HydrophobicContact CD2-CD2 4.08Å; L693-F697 HydrophobicContact CD2-CE2 3.78Å; L693-F697 WeakPolarHBondContact O-CD2 3.29Å; L693-F697 PolarHBondContact O-N 3.03Å; L693-F697 VanDerWaalsContact O-N 3.08Å; F697-S699 PolarHBondContact O-N 2.87Å |
| 698 | E | 62.1 | Low | 50.7 | Low | 68 Ų | 68 | 125 Ų | 125 | 32% | 0.318 | 65% | 0.653 | S | S | . | * | B | Isolated β-bridge | trans | -73.7 | 111.2 | 173.9 | -179.3 | 168 | -133.7 | 0 | 0 | 111.8 | R650 E694 R700 | R650-E698 WeakPolarHBondContact CD-OE1 3.16Å; R650-E698 WeakPolarHBondContact CG-OE1 3.38Å; R650-E698 IonicContact CZ-OE1 3.51Å; R650-E698 IonicContact CZ-OE2 3.92Å; R650-E698 IonicContact NE-OE1 2.71Å; R650-E698 PolarHBondContact NE-OE1 2.96Å; R650-E698 IonicContact NE-OE2 3.76Å; R650-E698 IonicContact NH2-OE1 3.44Å; R650-E698 PolarHBondContact NH2-OE1 3.42Å; R650-E698 IonicContact NH2-OE2 3.34Å; R650-E698 PolarHBondContact NH2-OE2 3.16Å; E694-E698 WeakPolarHBondContact O-CB 3.43Å; E694-E698 PolarHBondContact O-N 3.35Å; E698-R700 PolarHBondContact O-N 2.8Å; E698-R700 VanDerWaalsContact O-N 3.11Å |
| 699 | S | 46 | Very low | 49.5 | Very low | 83 Ų | 83 | 130.7 Ų | 130.7 | 58% | 0.58 | 67% | 0.67 | S | S | * | * | trans | -76.3 | 99 | 179.5 | 65.2 | 0 | 0 | 0 | 0 | 112.2 | F697 A701 | F697-S699 PolarHBondContact O-N 2.87Å; S699-A701 PolarHBondContact O-N 2.74Å; S699-A701 VanDerWaalsContact O-N 3.09Å | ||
| 700 | R | 38.2 | Very low | 47.9 | Very low | 223 Ų | 223 | 131.5 Ų | 131.5 | 84% | 0.842 | 69% | 0.69 | S | S | * | * | trans | -69 | 102.4 | 174.4 | -70.1 | -171.7 | 179.1 | -173 | 1.4 | 111.9 | E698 | E698-R700 PolarHBondContact O-N 2.8Å; E698-R700 VanDerWaalsContact O-N 3.11Å | ||
| 701 | A | 40 | Very low | 46.1 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | trans | -73.6 | 143.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S699 | S699-A701 PolarHBondContact O-N 2.74Å; S699-A701 VanDerWaalsContact O-N 3.09Å | ||
| 702 | K | 35.3 | Very low | 44.6 | Very low | 208 Ų | 208 | 137.3 Ų | 137.3 | 90% | 0.904 | 72% | 0.719 | S | S | * | * | trans | -86.2 | 111.4 | 178.3 | -147.8 | 175.2 | -170.8 | 178.6 | 0 | 108.9 | ||||
| 703 | E | 32.4 | Very low | 43.1 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -70.6 | 141.3 | 176.5 | -67.1 | -164.3 | 142.4 | 0 | 0 | 111.7 | ||||
| 704 | V | 31.4 | Very low | 42.1 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | trans | -129.2 | 111.5 | 160.2 | 178.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 705 | L | 33.9 | Very low | 40.7 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | trans | -85.7 | 159.2 | -178.2 | -79.4 | 173.5 | 0 | 0 | 0 | 111.9 | ||||
| 706 | P | 48.8 | Very low | 39.7 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | -92.3 | 163.8 | -153.3 | 35.9 | -37.7 | 0 | 0 | 0 | 114.2 | ||||
| 707 | S | 28.5 | Very low | 39 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | -131 | 135.7 | 156.1 | -168.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 708 | K | 41.3 | Very low | 39 | Very low | 201 Ų | 201 | 137.1 Ų | 137.1 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | trans | -79.9 | 134.5 | -179.2 | -72.9 | 178.3 | 176.5 | 175.9 | 0 | 110.8 | ||||
| 709 | K | 31.2 | Very low | 38.7 | Very low | 215 Ų | 215 | 138.5 Ų | 138.5 | 94% | 0.935 | 74% | 0.742 | S | S | * | * | trans | -145.9 | 155.1 | 138.8 | -111.8 | 166 | -173.9 | 176.5 | 0 | 110 | ||||
| 710 | A | 33.7 | Very low | 39.5 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | trans | -80.1 | 157 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 711 | G | 28.9 | Very low | 41 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | trans | 171.5 | 109.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 712 | E | 38.6 | Very low | 42.7 | Very low | 209 Ų | 209 | 127.9 Ų | 127.9 | 98% | 0.977 | 68% | 0.684 | S | S | * | * | trans | -68.2 | 150.1 | 166.1 | -69.9 | 165.8 | 93.9 | 0 | 0 | 109.9 | ||||
| 713 | G | 33.8 | Very low | 44.7 | Very low | 68 Ų | 68 | 122.4 Ų | 122.4 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | trans | 147.6 | 37.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | R715 | G713-R715 PolarHBondContact O-N 2.71Š| ||
| 714 | R | 36.7 | Very low | 46.9 | Very low | 227 Ų | 227 | 123.1 Ų | 123.1 | 86% | 0.857 | 67% | 0.67 | S | S | * | * | trans | -67.3 | 86.3 | 169.5 | -174.8 | -174.7 | -179.6 | -179 | -1 | 108.8 | T716 | R714-T716 HydrophobicContact CG-CG2 4.34Å; R714-T716 PolarHBondContact O-N 3.38Å | ||
| 715 | R | 38.1 | Very low | 49.4 | Very low | 226 Ų | 226 | 120.2 Ų | 120.2 | 85% | 0.853 | 64% | 0.644 | S | S | * | * | trans | -64 | 89.4 | 157.4 | -70.4 | -176.8 | -179 | 167.8 | 1.1 | 107 | G713 M717 | G713-R715 PolarHBondContact O-N 2.71Å; R715-M717 PolarHBondContact O-N 2.85Å | ||
| 716 | T | 42.2 | Very low | 51.7 | Low | 62 Ų | 62 | 114.2 Ų | 114.2 | 38% | 0.38 | 61% | 0.614 | S | S | . | * | trans | -49.7 | 134.3 | 156.4 | 36.7 | 0 | 0 | 0 | 0 | 107.6 | R714 I785 | R714-T716 HydrophobicContact CG-CG2 4.34Å; R714-T716 PolarHBondContact O-N 3.38Å; T716-I785 VanDerWaalsContact O-CG2 3.3Å; T716-I785 WeakPolarHBondContact O-CG2 3.43Å; T716-I785 VanDerWaalsContact OG1-CD1 3.29Å; T716-I785 WeakPolarHBondContact OG1-CD1 3.39Å | ||
| 717 | M | 48.4 | Very low | 53.2 | Low | 97 Ų | 97 | 113.2 Ų | 113.2 | 48% | 0.478 | 60% | 0.602 | S | S | . | * | trans | -132.5 | 119.2 | 178.1 | -160.6 | 178.1 | -139.8 | 0 | 0 | 104.5 | R715 T719 P786 L787 | R715-M717 PolarHBondContact O-N 2.85Å; M717-T719 PolarHBondContact O-N 3.18Å; M717-P786 WeakPolarHBondContact CA-O 3.49Å; M717-P786 HydrophobicContact CE-CB 4.13Å; M717-P786 HydrophobicContact CE-CG 4.23Å; M717-P786 HydrophobicContact CG-CG 4.29Å; M717-P786 WeakPolarHBondContact CG-O 3.25Å; M717-L787 WeakPolarHBondContact CE-O 3.38Å | ||
| 718 | T | 48.8 | Very low | 55.8 | Low | 32 Ų | 32 | 110 Ų | 110 | 20% | 0.196 | 58% | 0.583 | C | S | . | * | B | Isolated β-bridge | trans | -77.3 | 103.8 | -165.4 | -50.5 | 0 | 0 | 0 | 0 | 110 | V720 A778 I785 P786 | T718-V720 HydrophobicContact CG2-CG2 3.78Å; T718-A778 HydrophobicContact CG2-CB 4.09Å; T718-I785 WeakPolarHBondContact OG1-CG2 3.4Å; T718-P786 PolarHBondContact N-O 2.87Å |
| 719 | T | 56.6 | Low | 57.8 | Low | 97 Ų | 97 | 100.7 Ų | 100.7 | 60% | 0.595 | 54% | 0.543 | S | S | * | . | trans | -83.3 | 116.4 | 169.7 | -42.8 | 0 | 0 | 0 | 0 | 108.3 | M717 E791 | M717-T719 PolarHBondContact O-N 3.18Å; T719-E791 WeakPolarHBondContact CA-OE1 3.37Å; T719-E791 WeakPolarHBondContact CG2-OE1 3.27Å | ||
| 720 | V | 63.7 | Low | 60.2 | Low | 42 Ų | 42 | 92.9 Ų | 92.9 | 26% | 0.255 | 51% | 0.511 | S | S | . | . | trans | -112.5 | -26.9 | -174.6 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | T718 K774 I775 A778 E791 | T718-V720 HydrophobicContact CG2-CG2 3.78Å; V720-K774 HydrophobicContact CG1-CB 3.69Å; V720-I775 HydrophobicContact CB-CG1 3.99Å; V720-I775 HydrophobicContact CG1-CG1 4.02Å; V720-I775 HydrophobicContact CG2-CG1 4.42Å; V720-A778 HydrophobicContact CG2-CB 3.6Å; V720-E791 HydrophobicContact CB-CG 4.24Å; V720-E791 HydrophobicContact CG2-CG 4.47Å; V720-E791 PolarHBondContact N-OE1 3.29Å | ||
| 721 | L | 69.1 | Low | 62.6 | Low | 11 Ų | 11 | 93.1 Ų | 93.1 | 6% | 0.058 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -82.5 | 150 | -179 | -68.2 | 164 | 0 | 0 | 0 | 111.9 | I729 E771 I775 A790 E791 L794 | L721-I729 HydrophobicContact CD1-CD1 4.14Å; L721-E771 HydrophobicContact CD2-CB 4.27Å; L721-E771 HydrophobicContact CD2-CG 4.1Å; L721-I775 HydrophobicContact CD1-CD1 4.47Å; L721-I775 HydrophobicContact CD2-CD1 4.41Å; L721-I775 HydrophobicContact CG-CD1 4.35Å; L721-A790 HydrophobicContact CD1-CB 3.99Å; L721-E791 HydrophobicContact CD1-CG 3.97Å; L721-E791 HydrophobicContact CG-CG 4.16Å; L721-E791 PolarHBondContact N-OE1 3.19Å; L721-E791 VanDerWaalsContact N-OE1 3.14Å; L721-L794 HydrophobicContact CD1-CD1 3.75Å; L721-L794 HydrophobicContact CD1-CG 4.35Å; L721-L794 HydrophobicContact CD2-CD1 3.81Å; L721-L794 HydrophobicContact CG-CD1 4.4Å |
| 722 | D | 76.1 | Confident | 65 | Low | 123 Ų | 123 | 90 Ų | 90 | 66% | 0.658 | 46% | 0.464 | S | S | * | . | trans | -52 | 132.2 | 169 | -100.7 | -60.9 | 0 | 0 | 0 | 110.8 | K724 R725 S726 | D722-K724 PolarHBondContact O-N 2.91Å; D722-R725 HydrophobicContact CB-CB 4.28Å; D722-R725 PolarHBondContact O-N 3.36Å; D722-S726 PolarHBondContact O-N 2.75Å | ||
| 723 | P | 76.6 | Confident | 66.9 | Low | 92 Ų | 92 | 81.7 Ų | 81.7 | 60% | 0.597 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -54.8 | -31.2 | -176.9 | -29.6 | 35.4 | 0 | 0 | 0 | 114.2 | N727 | P723-N727 VanDerWaalsContact O-CB 3.23Å; P723-N727 WeakPolarHBondContact O-CB 3.23Å; P723-N727 PolarHBondContact O-N 3.44Å; P723-N727 PolarHBondContact O-ND2 3.23Å |
| 724 | K | 79.6 | Confident | 69.1 | Low | 177 Ų | 177 | 83.9 Ų | 83.9 | 77% | 0.77 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -67.3 | -41.7 | 174 | -68.2 | -177.5 | 179.6 | 178 | 0 | 112.7 | D722 A728 | D722-K724 PolarHBondContact O-N 2.91Å; K724-A728 WeakPolarHBondContact O-CB 3.3Å; K724-A728 PolarHBondContact O-N 2.95Å |
| 725 | R | 81.9 | Confident | 70.8 | Confident | 80 Ų | 80 | 76.6 Ų | 76.6 | 30% | 0.302 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -78.5 | -40.4 | -178.1 | -174.8 | 157.2 | 165.4 | 103.6 | -5.7 | 111.3 | D722 N727 A728 I729 M766 E771 | D722-R725 HydrophobicContact CB-CB 4.28Å; D722-R725 PolarHBondContact O-N 3.36Å; R725-N727 VanDerWaalsContact C-N 3.33Å; R725-N727 PolarHBondContact O-N 3.47Å; R725-A728 PolarHBondContact O-N 3.26Å; R725-I729 HydrophobicContact CG-CD1 4Å; R725-I729 WeakPolarHBondContact O-CD1 3.46Å; R725-I729 VanDerWaalsContact O-CG1 3.31Å; R725-I729 WeakPolarHBondContact O-CG1 3.3Å; R725-I729 PolarHBondContact O-N 3.45Å; R725-M766 PolarHBondContact NH2-O 3.47Å; R725-E771 WeakPolarHBondContact CD-OE1 3.29Å; R725-E771 IonicContact CZ-OE1 3.6Å; R725-E771 IonicContact CZ-OE2 2.77Å; R725-E771 VanDerWaalsContact CZ-OE2 3.25Å; R725-E771 IonicContact NE-OE1 2.66Å; R725-E771 PolarHBondContact NE-OE1 2.66Å; R725-E771 IonicContact NE-OE2 3.79Å; R725-E771 PolarHBondContact NE-OE2 2.84Å; R725-E771 IonicContact NH2-OE1 3.69Å; R725-E771 IonicContact NH2-OE2 3.12Å; R725-E771 PolarHBondContact NH2-OE2 2.92Å |
| 726 | S | 82.6 | Confident | 72.6 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 9% | 0.091 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.3 | -46.6 | 168.9 | -171.4 | 0 | 0 | 0 | 0 | 111.1 | D722 I729 N730 A790 | D722-S726 PolarHBondContact O-N 2.75Å; S726-I729 PolarHBondContact O-N 3.46Å; S726-N730 WeakPolarHBondContact O-CB 3.43Å; S726-N730 PolarHBondContact O-N 3.41Å; S726-N730 PolarHBondContact O-ND2 2.92Å; S726-A790 WeakPolarHBondContact OG-CB 3.49Å |
| 727 | N | 80.8 | Confident | 74.2 | Confident | 97 Ų | 97 | 65.5 Ų | 65.5 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 174.8 | -75.3 | -7.9 | 0 | 0 | 0 | 113.5 | P723 R725 I729 N730 I731 | P723-N727 VanDerWaalsContact O-CB 3.23Å; P723-N727 WeakPolarHBondContact O-CB 3.23Å; P723-N727 PolarHBondContact O-N 3.44Å; P723-N727 PolarHBondContact O-ND2 3.23Å; R725-N727 VanDerWaalsContact C-N 3.33Å; R725-N727 PolarHBondContact O-N 3.47Å; N727-I729 VanDerWaalsContact C-N 3.34Å; N727-I729 PolarHBondContact O-N 2.92Å; N727-N730 PolarHBondContact O-N 3.41Å; N727-I731 VanDerWaalsContact O-CG1 3.27Å; N727-I731 WeakPolarHBondContact O-CG1 3.13Å; N727-I731 PolarHBondContact O-N 3.15Å |
| 728 | A | 83 | Confident | 75.5 | Confident | 57 Ų | 57 | 64.6 Ų | 64.6 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K724 R725 I731 G732 | K724-A728 WeakPolarHBondContact O-CB 3.3Å; K724-A728 PolarHBondContact O-N 2.95Å; R725-A728 PolarHBondContact O-N 3.26Å; A728-I731 PolarHBondContact O-N 3.41Å; A728-G732 PolarHBondContact O-N 3.05Å |
| 729 | I | 83.3 | Confident | 76.5 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 175 | -68.7 | 161.3 | 0 | 0 | 0 | 110.9 | L721 R725 S726 N727 I731 G732 L733 A790 F793 L794 | L721-I729 HydrophobicContact CD1-CD1 4.14Å; R725-I729 HydrophobicContact CG-CD1 4Å; R725-I729 WeakPolarHBondContact O-CD1 3.46Å; R725-I729 VanDerWaalsContact O-CG1 3.31Å; R725-I729 WeakPolarHBondContact O-CG1 3.3Å; R725-I729 PolarHBondContact O-N 3.45Å; S726-I729 PolarHBondContact O-N 3.46Å; N727-I729 VanDerWaalsContact C-N 3.34Å; N727-I729 PolarHBondContact O-N 2.92Å; I729-I731 VanDerWaalsContact C-N 3.31Å; I729-I731 PolarHBondContact O-N 3.45Å; I729-G732 PolarHBondContact O-N 3.31Å; I729-L733 HydrophobicContact CG2-CD1 4.05Å; I729-L733 HydrophobicContact CG2-CG 4.45Å; I729-L733 WeakPolarHBondContact O-CB 3.46Å; I729-L733 WeakPolarHBondContact O-CG 3.36Å; I729-L733 PolarHBondContact O-N 3.08Å; I729-A790 HydrophobicContact CB-CB 4.07Å; I729-A790 HydrophobicContact CG2-CB 3.73Å; I729-F793 HydrophobicContact CG2-CD1 3.58Å; I729-F793 HydrophobicContact CG2-CE1 4.14Å; I729-L794 HydrophobicContact CD1-CD1 3.86Å; I729-L794 HydrophobicContact CD1-CD2 3.93Å; I729-L794 HydrophobicContact CD1-CG 3.96Å |
| 730 | N | 82.3 | Confident | 77.2 | Confident | 51 Ų | 51 | 67.1 Ų | 67.1 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 177.4 | -71.3 | -37.2 | 0 | 0 | 0 | 112.4 | S726 N727 T734 | S726-N730 WeakPolarHBondContact O-CB 3.43Å; S726-N730 PolarHBondContact O-N 3.41Å; S726-N730 PolarHBondContact O-ND2 2.92Å; N727-N730 PolarHBondContact O-N 3.41Å; N730-T734 WeakPolarHBondContact O-CG2 3.5Å; N730-T734 PolarHBondContact O-N 3.36Å |
| 731 | I | 83.2 | Confident | 77.9 | Confident | 115 Ų | 115 | 67.4 Ų | 67.4 | 59% | 0.59 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.9 | -49.4 | 171.6 | -69.2 | 162.7 | 0 | 0 | 0 | 110.3 | N727 A728 I729 L733 T734 | N727-I731 VanDerWaalsContact O-CG1 3.27Å; N727-I731 WeakPolarHBondContact O-CG1 3.13Å; N727-I731 PolarHBondContact O-N 3.15Å; A728-I731 PolarHBondContact O-N 3.41Å; I729-I731 VanDerWaalsContact C-N 3.31Å; I729-I731 PolarHBondContact O-N 3.45Å; I731-L733 VanDerWaalsContact C-N 3.28Å; I731-L733 PolarHBondContact O-N 3.47Å; I731-T734 WeakPolarHBondContact O-CB 3.09Å; I731-T734 PolarHBondContact O-N 3.4Å; I731-T734 PolarHBondContact O-OG1 2.87Å |
| 732 | G | 78.9 | Confident | 78.5 | Confident | 10 Ų | 10 | 67 Ų | 67 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.4 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A728 I729 T734 T735 L736 | A728-G732 PolarHBondContact O-N 3.05Å; I729-G732 PolarHBondContact O-N 3.31Å; G732-T734 VanDerWaalsContact C-N 3.26Å; G732-T734 PolarHBondContact O-N 3.1Å; G732-T735 PolarHBondContact O-N 3.13Å; G732-T735 PolarHBondContact O-OG1 3.13Å; G732-L736 PolarHBondContact O-N 3.35Å |
| 733 | L | 78.9 | Confident | 78.6 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.9 | -28.6 | 174.7 | -80.9 | 170.9 | 0 | 0 | 0 | 114.3 | I729 I731 T735 L736 V739 F793 | I729-L733 HydrophobicContact CG2-CD1 4.05Å; I729-L733 HydrophobicContact CG2-CG 4.45Å; I729-L733 WeakPolarHBondContact O-CB 3.46Å; I729-L733 WeakPolarHBondContact O-CG 3.36Å; I729-L733 PolarHBondContact O-N 3.08Å; I731-L733 VanDerWaalsContact C-N 3.28Å; I731-L733 PolarHBondContact O-N 3.47Å; L733-T735 PolarHBondContact O-N 3.21Å; L733-L736 PolarHBondContact O-N 3.24Å; L733-V739 HydrophobicContact CD2-CG2 3.79Å; L733-F793 HydrophobicContact CD1-CB 4.05Å; L733-F793 HydrophobicContact CD1-CD1 4.28Å; L733-F793 HydrophobicContact CD1-CG 4.15Å; L733-F793 HydrophobicContact CD2-CB 4.37Å; L733-F793 HydrophobicContact CD2-CD1 4.13Å; L733-F793 HydrophobicContact CD2-CD2 3.65Å; L733-F793 HydrophobicContact CD2-CE1 4.23Å; L733-F793 HydrophobicContact CD2-CE2 3.78Å; L733-F793 HydrophobicContact CD2-CG 3.8Å; L733-F793 HydrophobicContact CD2-CZ 4.04Å; L733-F793 HydrophobicContact CG-CD1 4.24Å; L733-F793 HydrophobicContact CG-CE1 4.44Å; L733-F793 HydrophobicContact CG-CG 4.28Å |
| 734 | T | 79.6 | Confident | 78.7 | Confident | 115 Ų | 115 | 62.3 Ų | 62.3 | 71% | 0.706 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.3 | 172.9 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | N730 I731 G732 | N730-T734 WeakPolarHBondContact O-CG2 3.5Å; N730-T734 PolarHBondContact O-N 3.36Å; I731-T734 WeakPolarHBondContact O-CB 3.09Å; I731-T734 PolarHBondContact O-N 3.4Å; I731-T734 PolarHBondContact O-OG1 2.87Å; G732-T734 VanDerWaalsContact C-N 3.26Å; G732-T734 PolarHBondContact O-N 3.1Å |
| 735 | T | 73.8 | Confident | 78.7 | Confident | 74 Ų | 74 | 54 Ų | 54 | 45% | 0.454 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 9.6 | -177.1 | 71.5 | 0 | 0 | 0 | 0 | 113.3 | G732 L733 K761 | G732-T735 PolarHBondContact O-N 3.13Å; G732-T735 PolarHBondContact O-OG1 3.13Å; L733-T735 PolarHBondContact O-N 3.21Å; T735-K761 PolarHBondContact OG1-NZ 3.34Å |
| 736 | L | 76 | Confident | 78.6 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -117.5 | 158.3 | 178.4 | -69.8 | 178.3 | 0 | 0 | 0 | 110.9 | G732 L733 I742 L762 M765 F793 | G732-L736 PolarHBondContact O-N 3.35Å; L733-L736 PolarHBondContact O-N 3.24Å; L736-I742 HydrophobicContact CB-CD1 3.92Å; L736-I742 HydrophobicContact CD1-CD1 4.2Å; L736-L762 HydrophobicContact CD1-CD2 3.96Å; L736-L762 HydrophobicContact CD1-CG 4.14Å; L736-L762 HydrophobicContact CD2-CG 4.48Å; L736-M765 HydrophobicContact CD1-CE 3.52Å; L736-F793 HydrophobicContact CD1-CZ 4.17Å |
| 737 | P | 74.7 | Confident | 78.4 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | trans | -60.1 | 167.1 | 172.2 | -19.4 | 30.1 | 0 | 0 | 0 | 112.8 | V739 V741 I742 A753 V754 | P737-V739 PolarHBondContact O-N 3.49Å; P737-V741 HydrophobicContact CB-CB 4.29Å; P737-V741 HydrophobicContact CB-CG1 4.31Å; P737-I742 HydrophobicContact CB-CG1 4.24Å; P737-I742 HydrophobicContact CG-CG1 4.49Å; P737-I742 VanDerWaalsContact O-CD1 3.25Å; P737-I742 WeakPolarHBondContact O-CD1 3.4Å; P737-I742 WeakPolarHBondContact O-CG1 3.43Å; P737-A753 WeakPolarHBondContact CG-O 3.29Å; P737-V754 HydrophobicContact CG-CG2 4.39Å | ||
| 738 | P | 76.6 | Confident | 78.3 | Confident | 78 Ų | 78 | 52.5 Ų | 52.5 | 51% | 0.506 | 30% | 0.304 | S | S | . | . | trans | -54.6 | 139.2 | 174.5 | -24.9 | 34.4 | 0 | 0 | 0 | 112.4 | H740 V741 I742 | P738-H740 VanDerWaalsContact CB-CE1 3.46Å; P738-H740 WeakPolarHBondContact CB-CE1 3.43Å; P738-H740 PolarHBondContact O-N 3.2Å; P738-V741 HydrophobicContact CB-CG2 4.17Å; P738-V741 HydrophobicContact CG-CG2 4.35Å; P738-V741 WeakPolarHBondContact O-CA 3.4Å; P738-V741 WeakPolarHBondContact O-CB 3.44Å; P738-V741 PolarHBondContact O-N 3.1Å; P738-I742 PolarHBondContact O-N 3.43Å; P738-I742 VanDerWaalsContact O-N 3.1Å | ||
| 739 | V | 69.8 | Low | 78 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.3 | -33.5 | -170.8 | 175.4 | 0 | 0 | 0 | 0 | 114.1 | L733 P737 I742 K743 F793 T796 | L733-V739 HydrophobicContact CD2-CG2 3.79Å; P737-V739 PolarHBondContact O-N 3.49Å; V739-I742 PolarHBondContact O-N 2.85Å; V739-K743 PolarHBondContact O-N 3.28Å; V739-F793 HydrophobicContact CB-CD2 4.45Å; V739-F793 HydrophobicContact CG1-CD2 3.95Å; V739-F793 HydrophobicContact CG2-CD2 3.76Å; V739-F793 HydrophobicContact CG2-CE2 4.44Å; V739-T796 HydrophobicContact CG1-CG2 3.76Å |
| 740 | H | 70.8 | Confident | 77.6 | Confident | 145 Ų | 145 | 53.7 Ų | 53.7 | 67% | 0.671 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -70.8 | -33.3 | 175.5 | 57.5 | -97.3 | 0 | 0 | 0 | 113.2 | P738 A744 | P738-H740 VanDerWaalsContact CB-CE1 3.46Å; P738-H740 WeakPolarHBondContact CB-CE1 3.43Å; P738-H740 PolarHBondContact O-N 3.2Å; H740-A744 PolarHBondContact O-N 3.27Å |
| 741 | V | 78.5 | Confident | 77.1 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 30% | 0.297 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.4 | -43.6 | 173 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | P737 P738 K743 A744 A745 A753 | P737-V741 HydrophobicContact CB-CB 4.29Å; P737-V741 HydrophobicContact CB-CG1 4.31Å; P738-V741 HydrophobicContact CB-CG2 4.17Å; P738-V741 HydrophobicContact CG-CG2 4.35Å; P738-V741 WeakPolarHBondContact O-CA 3.4Å; P738-V741 WeakPolarHBondContact O-CB 3.44Å; P738-V741 PolarHBondContact O-N 3.1Å; V741-K743 VanDerWaalsContact C-N 3.31Å; V741-K743 PolarHBondContact O-N 2.97Å; V741-A744 PolarHBondContact O-N 3.43Å; V741-A744 VanDerWaalsContact O-N 3.1Å; V741-A745 WeakPolarHBondContact O-CB 3.4Å; V741-A745 PolarHBondContact O-N 3.05Å; V741-A753 HydrophobicContact CG1-CB 4.24Å |
| 742 | I | 80.6 | Confident | 76.6 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -53.8 | -47.9 | 177.7 | -63.5 | 175.2 | 0 | 0 | 0 | 111 | L736 P737 P738 V739 A744 A745 L746 L762 F793 L797 | L736-I742 HydrophobicContact CB-CD1 3.92Å; L736-I742 HydrophobicContact CD1-CD1 4.2Å; P737-I742 HydrophobicContact CB-CG1 4.24Å; P737-I742 HydrophobicContact CG-CG1 4.49Å; P737-I742 VanDerWaalsContact O-CD1 3.25Å; P737-I742 WeakPolarHBondContact O-CD1 3.4Å; P737-I742 WeakPolarHBondContact O-CG1 3.43Å; P738-I742 PolarHBondContact O-N 3.43Å; P738-I742 VanDerWaalsContact O-N 3.1Å; V739-I742 PolarHBondContact O-N 2.85Å; I742-A744 PolarHBondContact O-N 3.17Å; I742-A745 PolarHBondContact O-N 3.12Å; I742-L746 HydrophobicContact CG2-CD1 3.57Å; I742-L746 HydrophobicContact CG2-CG 4.24Å; I742-L746 WeakPolarHBondContact O-CB 3.33Å; I742-L746 VanDerWaalsContact O-CG 3.29Å; I742-L746 WeakPolarHBondContact O-CG 3.48Å; I742-L746 PolarHBondContact O-N 3.06Å; I742-L762 HydrophobicContact CG2-CD1 4.12Å; I742-L762 HydrophobicContact CG2-CD2 4.14Å; I742-F793 HydrophobicContact CD1-CE2 3.88Å; I742-L797 HydrophobicContact CG2-CD2 4.38Å |
| 743 | K | 78.9 | Confident | 76.1 | Confident | 71 Ų | 71 | 60.3 Ų | 60.3 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 178.8 | -178.2 | 163.8 | 177.9 | 174.1 | 0 | 112.3 | V739 V741 L747 T796 S799 I800 | V739-K743 PolarHBondContact O-N 3.28Å; V741-K743 VanDerWaalsContact C-N 3.31Å; V741-K743 PolarHBondContact O-N 2.97Å; K743-L747 HydrophobicContact CG-CD1 4.14Å; K743-L747 WeakPolarHBondContact O-CD1 3.26Å; K743-L747 WeakPolarHBondContact O-CG 3.27Å; K743-L747 PolarHBondContact O-N 3.26Å; K743-T796 HydrophobicContact CB-CG2 4.24Å; K743-T796 HydrophobicContact CD-CG2 3.98Å; K743-S799 PolarHBondContact NZ-OG 2.94Å; K743-I800 HydrophobicContact CB-CD1 4.25Å; K743-I800 HydrophobicContact CD-CG1 4.3Å; K743-I800 HydrophobicContact CG-CD1 4Å; K743-I800 HydrophobicContact CG-CG1 4.09Å |
| 744 | A | 78 | Confident | 76.1 | Confident | 47 Ų | 47 | 58.9 Ų | 58.9 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H740 V741 I742 L747 N748 | H740-A744 PolarHBondContact O-N 3.27Å; V741-A744 PolarHBondContact O-N 3.43Å; V741-A744 VanDerWaalsContact O-N 3.1Å; I742-A744 PolarHBondContact O-N 3.17Å; A744-L747 PolarHBondContact O-N 3.49Å; A744-N748 PolarHBondContact O-N 3.27Å; A744-N748 PolarHBondContact O-ND2 2.93Å |
| 745 | A | 79.9 | Confident | 76.1 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V741 I742 L747 N748 F749 D750 A753 V754 W810 | V741-A745 WeakPolarHBondContact O-CB 3.4Å; V741-A745 PolarHBondContact O-N 3.05Å; I742-A745 PolarHBondContact O-N 3.12Å; A745-L747 VanDerWaalsContact C-N 3.28Å; A745-L747 PolarHBondContact O-N 2.86Å; A745-N748 PolarHBondContact O-N 3.45Å; A745-F749 WeakPolarHBondContact O-CA 3.24Å; A745-F749 PolarHBondContact O-N 3.36Å; A745-D750 HydrophobicContact CB-CB 4.19Å; A745-D750 PolarHBondContact O-N 3.24Å; A745-A753 HydrophobicContact CB-CB 3.7Å; A745-V754 HydrophobicContact CB-CG2 3.68Å; A745-W810 HydrophobicContact CB-CH2 4.27Å |
| 746 | L | 81.3 | Confident | 76.4 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.1 | -24 | 175.8 | -70.8 | 168.8 | 0 | 0 | 0 | 113.9 | I742 L762 L797 I800 L803 L807 W810 | I742-L746 HydrophobicContact CG2-CD1 3.57Å; I742-L746 HydrophobicContact CG2-CG 4.24Å; I742-L746 WeakPolarHBondContact O-CB 3.33Å; I742-L746 VanDerWaalsContact O-CG 3.29Å; I742-L746 WeakPolarHBondContact O-CG 3.48Å; I742-L746 PolarHBondContact O-N 3.06Å; L746-L762 HydrophobicContact CD1-CD1 4.46Å; L746-L762 HydrophobicContact CD2-CD1 4.41Å; L746-L797 HydrophobicContact CD1-CD2 4.07Å; L746-I800 HydrophobicContact CB-CD1 4.26Å; L746-I800 HydrophobicContact CD1-CD1 3.72Å; L746-L803 HydrophobicContact CD1-CD1 3.85Å; L746-L803 HydrophobicContact CD2-CD1 4.49Å; L746-L807 HydrophobicContact CD2-CD2 3.46Å; L746-L807 VanDerWaalsContact CD2-CD2 3.46Å; L746-L807 HydrophobicContact CD2-CG 4.24Å; L746-W810 HydrophobicContact CD2-CE3 3.93Å; L746-W810 HydrophobicContact CD2-CZ3 3.82Å; L746-W810 HydrophobicContact CG-CZ3 4.41Å |
| 747 | L | 77.9 | Confident | 76.6 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -78.7 | -31.8 | 173.4 | -73.7 | 168.9 | 0 | 0 | 0 | 112.2 | K743 A744 A745 L951 | K743-L747 HydrophobicContact CG-CD1 4.14Å; K743-L747 WeakPolarHBondContact O-CD1 3.26Å; K743-L747 WeakPolarHBondContact O-CG 3.27Å; K743-L747 PolarHBondContact O-N 3.26Å; A744-L747 PolarHBondContact O-N 3.49Å; A745-L747 VanDerWaalsContact C-N 3.28Å; A745-L747 PolarHBondContact O-N 2.86Å; L747-L951 WeakPolarHBondContact O-CD2 2.85Å |
| 748 | N | 78.1 | Confident | 77 | Confident | 92 Ų | 92 | 59.7 Ų | 59.7 | 49% | 0.492 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -105.3 | -14.4 | -172.6 | -68.8 | -54.8 | 0 | 0 | 0 | 115.4 | A744 A745 | A744-N748 PolarHBondContact O-N 3.27Å; A744-N748 PolarHBondContact O-ND2 2.93Å; A745-N748 PolarHBondContact O-N 3.45Å |
| 749 | F | 76.3 | Confident | 77.3 | Confident | 16 Ų | 16 | 56 Ų | 56 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 60 | -167.5 | -70.8 | -122.9 | 0 | 0 | 0 | 111 | A745 E751 R806 L809 W810 L947 L951 L955 | A745-F749 WeakPolarHBondContact O-CA 3.24Å; A745-F749 PolarHBondContact O-N 3.36Å; F749-E751 PolarHBondContact O-N 2.94Å; F749-R806 HydrophobicContact CZ-CB 4.36Å; F749-L809 HydrophobicContact CE1-CB 4.41Å; F749-L809 HydrophobicContact CE1-CD2 4.31Å; F749-L809 HydrophobicContact CE1-CG 4.1Å; F749-L809 HydrophobicContact CZ-CD2 4.14Å; F749-L809 HydrophobicContact CZ-CG 4.35Å; F749-W810 HydrophobicContact CD1-CB 3.81Å; F749-W810 AromaticContact CD1-CD1 3.89Å; F749-W810 HydrophobicContact CD1-CD2 4.05Å; F749-W810 AromaticContact CD1-CG 3.63Å; F749-W810 HydrophobicContact CD1-CG 3.63Å; F749-W810 HydrophobicContact CE1-CB 3.62Å; F749-W810 HydrophobicContact CE1-CG 4Å; F749-W810 HydrophobicContact CG-CD2 4.42Å; F749-W810 HydrophobicContact CG-CG 4.44Å; F749-L947 HydrophobicContact CE2-CD1 4.47Å; F749-L951 HydrophobicContact CB-CD1 4.15Å; F749-L951 HydrophobicContact CD2-CD1 4.26Å; F749-L951 HydrophobicContact CD2-CD2 3.86Å; F749-L951 HydrophobicContact CE2-CD2 4.41Å; F749-L951 HydrophobicContact CG-CD1 4.34Å; F749-L955 HydrophobicContact CD1-CD2 4.21Å; F749-L955 HydrophobicContact CD2-CD1 4.44Å; F749-L955 HydrophobicContact CE1-CD1 4.24Å; F749-L955 HydrophobicContact CE1-CD2 4.23Å; F749-L955 HydrophobicContact CE2-CD1 4.17Å; F749-L955 HydrophobicContact CZ-CD1 4.07Å |
| 750 | D | 75.9 | Confident | 78 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | trans | -90.4 | 99.1 | -177.8 | -172.9 | -8 | 0 | 0 | 0 | 112.2 | A745 F752 A753 V754 W810 | A745-D750 HydrophobicContact CB-CB 4.19Å; A745-D750 PolarHBondContact O-N 3.24Å; D750-F752 PolarHBondContact O-N 3.23Å; D750-F752 PolarHBondContact OD1-N 3.33Å; D750-F752 VanDerWaalsContact OD1-N 3.09Å; D750-A753 HydrophobicContact CB-CB 3.95Å; D750-A753 PolarHBondContact O-N 2.87Å; D750-A753 VanDerWaalsContact O-N 3.1Å; D750-V754 PolarHBondContact O-N 3.27Å; D750-W810 VanDerWaalsContact C-CZ2 3.48Å; D750-W810 WeakPolarHBondContact O-CH2 3.27Å; D750-W810 VanDerWaalsContact O-CZ2 3.29Å; D750-W810 WeakPolarHBondContact O-CZ2 3.37Å | ||
| 751 | E | 71.1 | Confident | 78.6 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 42% | 0.416 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.6 | -177.1 | -69.6 | 163.3 | -178.2 | 0 | 0 | 114.1 | F749 K813 L814 | F749-E751 PolarHBondContact O-N 2.94Å; E751-K813 IonicContact OE1-NZ 2.65Å; E751-K813 PolarHBondContact OE1-NZ 3.16Å; E751-K813 IonicContact OE2-NZ 2.97Å; E751-L814 HydrophobicContact CG-CD2 4.34Å |
| 752 | F | 72.1 | Confident | 78.9 | Confident | 202 Ų | 202 | 52.9 Ų | 52.9 | 89% | 0.886 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -19.5 | 174 | -62.6 | -81.4 | 0 | 0 | 0 | 112.4 | D750 | D750-F752 PolarHBondContact O-N 3.23Å; D750-F752 PolarHBondContact OD1-N 3.33Å; D750-F752 VanDerWaalsContact OD1-N 3.09Å |
| 753 | A | 70.1 | Confident | 79 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 20% | 0.198 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -30 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P737 V741 A745 D750 | P737-A753 WeakPolarHBondContact CG-O 3.29Å; V741-A753 HydrophobicContact CG1-CB 4.24Å; A745-A753 HydrophobicContact CB-CB 3.7Å; D750-A753 HydrophobicContact CB-CB 3.95Å; D750-A753 PolarHBondContact O-N 2.87Å; D750-A753 VanDerWaalsContact O-N 3.1Å |
| 754 | V | 77.4 | Confident | 79.2 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.024 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -137.9 | 124 | 178.5 | -168 | 0 | 0 | 0 | 0 | 110.5 | P737 A745 D750 I759 L762 W810 | P737-V754 HydrophobicContact CG-CG2 4.39Å; A745-V754 HydrophobicContact CB-CG2 3.68Å; D750-V754 PolarHBondContact O-N 3.27Å; V754-I759 HydrophobicContact CG1-CG1 3.95Å; V754-L762 HydrophobicContact CG1-CD1 4.24Å; V754-W810 HydrophobicContact CB-CH2 3.82Å; V754-W810 HydrophobicContact CB-CZ3 4.3Å; V754-W810 HydrophobicContact CG2-CH2 4.08Å; V754-W810 HydrophobicContact CG2-CZ3 4.42Å |
| 755 | S | 80.1 | Confident | 79.3 | Confident | 74 Ų | 74 | 55 Ų | 55 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | trans | -77.4 | 167.3 | 176.1 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | D757 G758 I759 | S755-D757 PolarHBondContact O-N 3.49Å; S755-G758 WeakPolarHBondContact O-CA 3.33Å; S755-G758 PolarHBondContact O-N 3.13Å; S755-I759 PolarHBondContact O-N 3.43Å | ||
| 756 | K | 79.8 | Confident | 79.3 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -48.9 | -54.6 | 173.4 | 173.8 | 171.3 | 168 | 164.6 | 0 | 112.2 | G758 I759 E760 L814 D815 | K756-G758 PolarHBondContact O-N 3.42Å; K756-G758 VanDerWaalsContact O-N 3.15Å; K756-I759 WeakPolarHBondContact O-CA 3.31Å; K756-I759 WeakPolarHBondContact O-CB 3.41Å; K756-I759 PolarHBondContact O-N 3.47Å; K756-E760 WeakPolarHBondContact CE-OE1 3.44Å; K756-E760 IonicContact NZ-OE1 2.71Å; K756-E760 PolarHBondContact O-N 2.87Å; K756-L814 HydrophobicContact CB-CD1 4.22Å; K756-D815 VanDerWaalsContact CE-OD1 3.23Å; K756-D815 WeakPolarHBondContact CE-OD1 3.19Å; K756-D815 IonicContact NZ-OD1 3.34Å; K756-D815 PolarHBondContact NZ-OD1 3.37Å |
| 757 | D | 81.6 | Confident | 79.2 | Confident | 97 Ų | 97 | 59 Ų | 59 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -54.3 | -35.7 | 176.3 | -53.1 | 17 | 0 | 0 | 0 | 112.4 | S755 K761 | S755-D757 PolarHBondContact O-N 3.49Å; D757-K761 VanDerWaalsContact O-CB 3.32Å; D757-K761 WeakPolarHBondContact O-CB 3.45Å; D757-K761 WeakPolarHBondContact O-CD 3.23Å; D757-K761 WeakPolarHBondContact O-CG 3.38Å; D757-K761 PolarHBondContact O-N 3.46Å |
| 758 | G | 82.3 | Confident | 79.2 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S755 K756 L762 | S755-G758 WeakPolarHBondContact O-CA 3.33Å; S755-G758 PolarHBondContact O-N 3.13Å; K756-G758 PolarHBondContact O-N 3.42Å; K756-G758 VanDerWaalsContact O-N 3.15Å; G758-L762 WeakPolarHBondContact O-CB 3.32Å; G758-L762 WeakPolarHBondContact O-CD1 3.42Å; G758-L762 WeakPolarHBondContact O-CG 3.32Å; G758-L762 PolarHBondContact O-N 2.87Å |
| 759 | I | 83.8 | Confident | 78.9 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.6 | -40.2 | 177.1 | -66.7 | 154.5 | 0 | 0 | 0 | 110.9 | V754 S755 K756 L762 L763 L807 W810 A811 L814 | V754-I759 HydrophobicContact CG1-CG1 3.95Å; S755-I759 PolarHBondContact O-N 3.43Å; K756-I759 WeakPolarHBondContact O-CA 3.31Å; K756-I759 WeakPolarHBondContact O-CB 3.41Å; K756-I759 PolarHBondContact O-N 3.47Å; I759-L762 PolarHBondContact O-N 3.26Å; I759-L763 WeakPolarHBondContact O-CG 3.16Å; I759-L763 PolarHBondContact O-N 2.95Å; I759-L807 HydrophobicContact CG2-CD2 4.12Å; I759-W810 HydrophobicContact CD1-CB 4.45Å; I759-W810 HydrophobicContact CD1-CD2 3.49Å; I759-W810 VanDerWaalsContact CD1-CD2 3.49Å; I759-W810 HydrophobicContact CD1-CE3 3.84Å; I759-W810 HydrophobicContact CD1-CG 3.77Å; I759-W810 HydrophobicContact CD1-CH2 4.4Å; I759-W810 HydrophobicContact CD1-CZ2 4.09Å; I759-W810 HydrophobicContact CD1-CZ3 4.28Å; I759-W810 HydrophobicContact CG1-CD2 4.17Å; I759-W810 HydrophobicContact CG1-CE3 4.01Å; I759-W810 HydrophobicContact CG1-CZ3 4.34Å; I759-A811 HydrophobicContact CG2-CB 4Å; I759-L814 HydrophobicContact CD1-CD1 3.42Å; I759-L814 VanDerWaalsContact CD1-CD1 3.42Å |
| 760 | E | 83.1 | Confident | 78.9 | Confident | 92 Ų | 92 | 63 Ų | 63 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 173.5 | -68.1 | -179 | -163.1 | 0 | 0 | 112.1 | K756 L763 T764 | K756-E760 WeakPolarHBondContact CE-OE1 3.44Å; K756-E760 IonicContact NZ-OE1 2.71Å; K756-E760 PolarHBondContact O-N 2.87Å; E760-L763 PolarHBondContact O-N 2.99Å; E760-T764 PolarHBondContact O-N 2.62Å; E760-T764 PolarHBondContact O-OG1 3.39Å; E760-T764 VanDerWaalsContact O-OG1 3.12Å |
| 761 | K | 82.9 | Confident | 79 | Confident | 74 Ų | 74 | 61.3 Ų | 61.3 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 171.3 | -74 | 168.3 | -176.2 | 177.8 | 0 | 112.3 | T735 D757 T764 M765 | T735-K761 PolarHBondContact OG1-NZ 3.34Å; D757-K761 VanDerWaalsContact O-CB 3.32Å; D757-K761 WeakPolarHBondContact O-CB 3.45Å; D757-K761 WeakPolarHBondContact O-CD 3.23Å; D757-K761 WeakPolarHBondContact O-CG 3.38Å; D757-K761 PolarHBondContact O-N 3.46Å; K761-T764 WeakPolarHBondContact CA-OG1 3.42Å; K761-T764 PolarHBondContact O-N 3.21Å; K761-T764 PolarHBondContact O-OG1 2.84Å; K761-T764 VanDerWaalsContact O-OG1 3.04Å; K761-M765 HydrophobicContact CB-CE 4.19Å; K761-M765 WeakPolarHBondContact O-CB 3.37Å; K761-M765 WeakPolarHBondContact O-CE 3.45Å; K761-M765 WeakPolarHBondContact O-CG 3.36Å; K761-M765 PolarHBondContact O-N 3.36Å |
| 762 | L | 85 | Confident | 79.2 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.3 | -34.6 | 175.2 | -76.3 | 165.3 | 0 | 0 | 0 | 112.5 | L736 I742 L746 V754 G758 I759 M765 M766 F793 L797 L807 | L736-L762 HydrophobicContact CD1-CD2 3.96Å; L736-L762 HydrophobicContact CD1-CG 4.14Å; L736-L762 HydrophobicContact CD2-CG 4.48Å; I742-L762 HydrophobicContact CG2-CD1 4.12Å; I742-L762 HydrophobicContact CG2-CD2 4.14Å; L746-L762 HydrophobicContact CD1-CD1 4.46Å; L746-L762 HydrophobicContact CD2-CD1 4.41Å; V754-L762 HydrophobicContact CG1-CD1 4.24Å; G758-L762 WeakPolarHBondContact O-CB 3.32Å; G758-L762 WeakPolarHBondContact O-CD1 3.42Å; G758-L762 WeakPolarHBondContact O-CG 3.32Å; G758-L762 PolarHBondContact O-N 2.87Å; I759-L762 PolarHBondContact O-N 3.26Å; L762-M765 PolarHBondContact O-N 3.27Å; L762-M766 WeakPolarHBondContact O-CG 3.48Å; L762-M766 PolarHBondContact O-N 3.38Å; L762-F793 HydrophobicContact CD2-CE2 4.4Å; L762-F793 HydrophobicContact CD2-CZ 3.79Å; L762-L797 HydrophobicContact CD2-CD1 4.24Å; L762-L797 HydrophobicContact CD2-CD2 4.14Å; L762-L807 HydrophobicContact CB-CD1 4.12Å; L762-L807 HydrophobicContact CB-CD2 3.69Å; L762-L807 HydrophobicContact CD1-CD2 4.22Å |
| 763 | L | 83.6 | Confident | 79.5 | Confident | 36 Ų | 36 | 56.1 Ų | 56.1 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 172.8 | -78.8 | 170.1 | 0 | 0 | 0 | 112.4 | I759 E760 M766 L807 Q808 A811 | I759-L763 WeakPolarHBondContact O-CG 3.16Å; I759-L763 PolarHBondContact O-N 2.95Å; E760-L763 PolarHBondContact O-N 2.99Å; L763-M766 HydrophobicContact CD2-SD 4.01Å; L763-M766 WeakPolarHBondContact O-CG 3.39Å; L763-L807 HydrophobicContact CD2-CB 3.41Å; L763-L807 VanDerWaalsContact CD2-CB 3.41Å; L763-L807 HydrophobicContact CD2-CD1 4.04Å; L763-L807 HydrophobicContact CD2-CG 4.35Å; L763-L807 HydrophobicContact CG-CB 3.83Å; L763-L807 HydrophobicContact CG-CD1 4.32Å; L763-Q808 HydrophobicContact CD2-CG 4.12Å; L763-A811 HydrophobicContact CD1-CB 4.2Å |
| 764 | T | 83 | Confident | 79.9 | Confident | 110 Ų | 110 | 60.6 Ų | 60.6 | 68% | 0.675 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -76.7 | -21.5 | 177.9 | 50.3 | 0 | 0 | 0 | 0 | 113.8 | E760 K761 | E760-T764 PolarHBondContact O-N 2.62Å; E760-T764 PolarHBondContact O-OG1 3.39Å; E760-T764 VanDerWaalsContact O-OG1 3.12Å; K761-T764 WeakPolarHBondContact CA-OG1 3.42Å; K761-T764 PolarHBondContact O-N 3.21Å; K761-T764 PolarHBondContact O-OG1 2.84Å; K761-T764 VanDerWaalsContact O-OG1 3.04Å |
| 765 | M | 80.3 | Confident | 79.9 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 9% | 0.089 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 21.6 | 176.6 | -64.1 | -171.1 | -65.3 | 0 | 0 | 114.2 | L736 K761 L762 F793 | L736-M765 HydrophobicContact CD1-CE 3.52Å; K761-M765 HydrophobicContact CB-CE 4.19Å; K761-M765 WeakPolarHBondContact O-CB 3.37Å; K761-M765 WeakPolarHBondContact O-CE 3.45Å; K761-M765 WeakPolarHBondContact O-CG 3.36Å; K761-M765 PolarHBondContact O-N 3.36Å; L762-M765 PolarHBondContact O-N 3.27Å; M765-F793 HydrophobicContact CE-CE1 4.47Å |
| 766 | M | 78.9 | Confident | 79.7 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 30% | 0.296 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 136.6 | 177.3 | -78.7 | 177.2 | 45.7 | 0 | 0 | 112.2 | R725 L762 L763 A804 L807 | R725-M766 PolarHBondContact NH2-O 3.47Å; L762-M766 WeakPolarHBondContact O-CG 3.48Å; L762-M766 PolarHBondContact O-N 3.38Å; L763-M766 HydrophobicContact CD2-SD 4.01Å; L763-M766 WeakPolarHBondContact O-CG 3.39Å; M766-A804 HydrophobicContact CE-CB 3.54Å; M766-A804 HydrophobicContact SD-CB 4.29Å; M766-L807 HydrophobicContact CG-CD1 4.16Å; M766-L807 HydrophobicContact SD-CD1 4.34Å |
| 767 | P | 78.9 | Confident | 79.7 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -66 | 139.8 | 171.5 | 27.5 | -33.1 | 0 | 0 | 0 | 110.2 | L794 L797 A798 | P767-L794 HydrophobicContact CB-CB 4.2Å; P767-L794 HydrophobicContact CB-CD1 4.36Å; P767-L794 HydrophobicContact CB-CD2 4.12Å; P767-L794 HydrophobicContact CB-CG 4.46Å; P767-L797 HydrophobicContact CG-CB 4.26Å; P767-A798 HydrophobicContact CG-CB 4.41Å |
| 768 | T | 79.8 | Confident | 79.1 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 32% | 0.319 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 159.2 | 166.5 | 86.8 | 0 | 0 | 0 | 0 | 110.1 | E770 E771 R772 | T768-E770 VanDerWaalsContact C-N 3.29Å; T768-E770 WeakPolarHBondContact CB-OE2 3.35Å; T768-E770 PolarHBondContact O-N 3.39Å; T768-E770 PolarHBondContact OG1-OE2 3.38Å; T768-E771 PolarHBondContact O-N 3.11Å; T768-E771 WeakPolarHBondContact OG1-CG 3.38Å; T768-E771 PolarHBondContact OG1-N 3.07Å; T768-R772 WeakPolarHBondContact O-CB 3.43Å; T768-R772 PolarHBondContact O-N 2.99Å |
| 769 | E | 71.3 | Confident | 78.6 | Confident | 90 Ų | 90 | 63.8 Ų | 63.8 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.1 | -32 | -179.1 | 179.5 | 59.7 | -163.9 | 0 | 0 | 111.3 | R772 Q773 | E769-R772 IonicContact OE1-CZ 3.8Å; E769-R772 IonicContact OE1-NH1 2.7Å; E769-R772 PolarHBondContact OE1-NH1 2.64Å; E769-R772 WeakPolarHBondContact OE2-CD 3.38Å; E769-R772 IonicContact OE2-CZ 2.76Å; E769-R772 IonicContact OE2-NH1 3.63Å; E769-R772 PolarHBondContact OE2-NH1 3.12Å; E769-Q773 WeakPolarHBondContact O-CB 3.29Å; E769-Q773 WeakPolarHBondContact O-CG 3.43Å; E769-Q773 PolarHBondContact O-N 3.21Å; E769-Q773 PolarHBondContact OE1-NE2 2.99Å |
| 770 | E | 75.3 | Confident | 78.1 | Confident | 115 Ų | 115 | 70.9 Ų | 70.9 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.2 | -34.2 | 174.7 | -47.8 | 77.8 | -172.9 | 0 | 0 | 112.1 | T768 K774 | T768-E770 VanDerWaalsContact C-N 3.29Å; T768-E770 WeakPolarHBondContact CB-OE2 3.35Å; T768-E770 PolarHBondContact O-N 3.39Å; T768-E770 PolarHBondContact OG1-OE2 3.38Å; E770-K774 WeakPolarHBondContact O-CD 3.5Å; E770-K774 WeakPolarHBondContact O-CG 3.13Å; E770-K774 PolarHBondContact O-N 3.27Å; E770-K774 VanDerWaalsContact O-N 3.14Å |
| 771 | E | 77.6 | Confident | 77.6 | Confident | 34 Ų | 34 | 69.8 Ų | 69.8 | 16% | 0.159 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -73.5 | -43.4 | 175.6 | -71.9 | 178.4 | 162.6 | 0 | 0 | 111.6 | L721 R725 T768 Q773 K774 I775 | L721-E771 HydrophobicContact CD2-CB 4.27Å; L721-E771 HydrophobicContact CD2-CG 4.1Å; R725-E771 WeakPolarHBondContact CD-OE1 3.29Å; R725-E771 IonicContact CZ-OE1 3.6Å; R725-E771 IonicContact CZ-OE2 2.77Å; R725-E771 VanDerWaalsContact CZ-OE2 3.25Å; R725-E771 IonicContact NE-OE1 2.66Å; R725-E771 PolarHBondContact NE-OE1 2.66Å; R725-E771 IonicContact NE-OE2 3.79Å; R725-E771 PolarHBondContact NE-OE2 2.84Å; R725-E771 IonicContact NH2-OE1 3.69Å; R725-E771 IonicContact NH2-OE2 3.12Å; R725-E771 PolarHBondContact NH2-OE2 2.92Å; T768-E771 PolarHBondContact O-N 3.11Å; T768-E771 WeakPolarHBondContact OG1-CG 3.38Å; T768-E771 PolarHBondContact OG1-N 3.07Å; E771-Q773 PolarHBondContact O-N 3.48Å; E771-K774 PolarHBondContact O-N 3.38Å; E771-I775 WeakPolarHBondContact O-CD1 3.33Å; E771-I775 VanDerWaalsContact O-CG1 3.26Å; E771-I775 WeakPolarHBondContact O-CG1 3.48Å; E771-I775 PolarHBondContact O-N 2.95Å |
| 772 | R | 76.9 | Confident | 76.9 | Confident | 77 Ų | 77 | 69.4 Ų | 69.4 | 29% | 0.291 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.4 | -52 | 172.3 | -178.2 | -162.6 | 145.1 | -132.4 | -18.5 | 110.3 | T768 E769 K774 I775 E776 A798 | T768-R772 WeakPolarHBondContact O-CB 3.43Å; T768-R772 PolarHBondContact O-N 2.99Å; E769-R772 IonicContact OE1-CZ 3.8Å; E769-R772 IonicContact OE1-NH1 2.7Å; E769-R772 PolarHBondContact OE1-NH1 2.64Å; E769-R772 WeakPolarHBondContact OE2-CD 3.38Å; E769-R772 IonicContact OE2-CZ 2.76Å; E769-R772 IonicContact OE2-NH1 3.63Å; E769-R772 PolarHBondContact OE2-NH1 3.12Å; R772-K774 PolarHBondContact O-N 3.35Å; R772-I775 PolarHBondContact O-N 3.19Å; R772-E776 IonicContact CZ-OE2 3.32Å; R772-E776 IonicContact NE-OE2 2.96Å; R772-E776 PolarHBondContact NE-OE2 3.35Å; R772-E776 VanDerWaalsContact NE-OE2 3.12Å; R772-E776 IonicContact NH2-OE1 2.92Å; R772-E776 IonicContact NH2-OE2 2.75Å; R772-E776 PolarHBondContact NH2-OE2 2.87Å; R772-E776 WeakPolarHBondContact O-CB 3.44Å; R772-E776 PolarHBondContact O-N 2.86Å; R772-A798 HydrophobicContact CG-CB 3.91Å |
| 773 | Q | 77.4 | Confident | 75.8 | Confident | 104 Ų | 104 | 74.3 Ų | 74.3 | 49% | 0.486 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | -179.3 | -75.1 | 173.2 | 14 | 0 | 0 | 112.5 | E769 E771 I775 E776 E777 | E769-Q773 WeakPolarHBondContact O-CB 3.29Å; E769-Q773 WeakPolarHBondContact O-CG 3.43Å; E769-Q773 PolarHBondContact O-N 3.21Å; E769-Q773 PolarHBondContact OE1-NE2 2.99Å; E771-Q773 PolarHBondContact O-N 3.48Å; Q773-I775 PolarHBondContact O-N 3.17Å; Q773-E776 PolarHBondContact O-N 3.24Å; Q773-E777 VanDerWaalsContact O-CB 3.3Å; Q773-E777 WeakPolarHBondContact O-CB 3.45Å; Q773-E777 PolarHBondContact O-N 3Å |
| 774 | K | 77.9 | Confident | 74.6 | Confident | 119 Ų | 119 | 80.2 Ų | 80.2 | 52% | 0.517 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 175.6 | -72.7 | 167 | -175.4 | 173.3 | 0 | 113 | V720 E770 E771 R772 A778 | V720-K774 HydrophobicContact CG1-CB 3.69Å; E770-K774 WeakPolarHBondContact O-CD 3.5Å; E770-K774 WeakPolarHBondContact O-CG 3.13Å; E770-K774 PolarHBondContact O-N 3.27Å; E770-K774 VanDerWaalsContact O-N 3.14Å; E771-K774 PolarHBondContact O-N 3.38Å; R772-K774 PolarHBondContact O-N 3.35Å; K774-A778 WeakPolarHBondContact O-CB 3.32Å; K774-A778 PolarHBondContact O-N 3.02Å |
| 775 | I | 77.4 | Confident | 73.9 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.4 | -40.3 | 177.4 | -63.7 | 163 | 0 | 0 | 0 | 110.1 | V720 L721 E771 R772 Q773 A778 Q779 L787 E791 L794 M795 | V720-I775 HydrophobicContact CB-CG1 3.99Å; V720-I775 HydrophobicContact CG1-CG1 4.02Å; V720-I775 HydrophobicContact CG2-CG1 4.42Å; L721-I775 HydrophobicContact CD1-CD1 4.47Å; L721-I775 HydrophobicContact CD2-CD1 4.41Å; L721-I775 HydrophobicContact CG-CD1 4.35Å; E771-I775 WeakPolarHBondContact O-CD1 3.33Å; E771-I775 VanDerWaalsContact O-CG1 3.26Å; E771-I775 WeakPolarHBondContact O-CG1 3.48Å; E771-I775 PolarHBondContact O-N 2.95Å; R772-I775 PolarHBondContact O-N 3.19Å; Q773-I775 PolarHBondContact O-N 3.17Å; I775-A778 PolarHBondContact O-N 2.85Å; I775-Q779 VanDerWaalsContact O-CB 3.26Å; I775-Q779 WeakPolarHBondContact O-CB 3.48Å; I775-Q779 PolarHBondContact O-N 3.29Å; I775-L787 HydrophobicContact CG2-CD1 3.64Å; I775-L787 HydrophobicContact CG2-CD2 3.94Å; I775-L787 HydrophobicContact CG2-CG 4.45Å; I775-E791 HydrophobicContact CD1-CB 4.23Å; I775-E791 HydrophobicContact CD1-CG 4.17Å; I775-E791 HydrophobicContact CG1-CB 4.43Å; I775-E791 HydrophobicContact CG1-CG 4.16Å; I775-E791 HydrophobicContact CG2-CB 4.27Å; I775-L794 HydrophobicContact CD1-CB 4.28Å; I775-L794 HydrophobicContact CD1-CD1 4.41Å; I775-M795 HydrophobicContact CB-CE 4.05Å; I775-M795 HydrophobicContact CG2-CE 3.62Å |
| 776 | E | 76.9 | Confident | 73.2 | Confident | 89 Ų | 89 | 79 Ų | 79 | 42% | 0.416 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 177.1 | -159.9 | 168.5 | 157 | 0 | 0 | 111.5 | R772 Q773 Q779 L780 M795 | R772-E776 IonicContact CZ-OE2 3.32Å; R772-E776 IonicContact NE-OE2 2.96Å; R772-E776 PolarHBondContact NE-OE2 3.35Å; R772-E776 VanDerWaalsContact NE-OE2 3.12Å; R772-E776 IonicContact NH2-OE1 2.92Å; R772-E776 IonicContact NH2-OE2 2.75Å; R772-E776 PolarHBondContact NH2-OE2 2.87Å; R772-E776 WeakPolarHBondContact O-CB 3.44Å; R772-E776 PolarHBondContact O-N 2.86Å; Q773-E776 PolarHBondContact O-N 3.24Å; E776-Q779 PolarHBondContact O-N 2.88Å; E776-L780 WeakPolarHBondContact O-CB 3.47Å; E776-L780 PolarHBondContact O-N 3.46Å; E776-M795 HydrophobicContact CB-CE 4.16Å |
| 777 | E | 79.1 | Confident | 72.9 | Confident | 137 Ų | 137 | 77 Ų | 77 | 64% | 0.64 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62 | -47.9 | 173.1 | -179.4 | -179.5 | -157.3 | 0 | 0 | 112.1 | Q773 Q779 L780 A781 | Q773-E777 VanDerWaalsContact O-CB 3.3Å; Q773-E777 WeakPolarHBondContact O-CB 3.45Å; Q773-E777 PolarHBondContact O-N 3Å; E777-Q779 VanDerWaalsContact C-N 3.29Å; E777-Q779 PolarHBondContact O-N 2.6Å; E777-L780 PolarHBondContact O-N 3.05Å; E777-A781 WeakPolarHBondContact O-CB 3.17Å; E777-A781 PolarHBondContact O-N 3.36Å |
| 778 | A | 69.8 | Low | 72.9 | Confident | 19 Ų | 19 | 76 Ų | 76 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.4 | -32.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | T718 V720 K774 I775 N782 | T718-A778 HydrophobicContact CG2-CB 4.09Å; V720-A778 HydrophobicContact CG2-CB 3.6Å; K774-A778 WeakPolarHBondContact O-CB 3.32Å; K774-A778 PolarHBondContact O-N 3.02Å; I775-A778 PolarHBondContact O-N 2.85Å; A778-N782 PolarHBondContact O-N 2.93Å; A778-N782 PolarHBondContact O-ND2 2.76Å |
| 779 | Q | 72.1 | Confident | 72.8 | Confident | 85 Ų | 85 | 77.4 Ų | 77.4 | 40% | 0.397 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -74.7 | -40.2 | 173.7 | -171.9 | 172 | 16.4 | 0 | 0 | 111.8 | I775 E776 E777 A781 N782 L787 | I775-Q779 VanDerWaalsContact O-CB 3.26Å; I775-Q779 WeakPolarHBondContact O-CB 3.48Å; I775-Q779 PolarHBondContact O-N 3.29Å; E776-Q779 PolarHBondContact O-N 2.88Å; E777-Q779 VanDerWaalsContact C-N 3.29Å; E777-Q779 PolarHBondContact O-N 2.6Å; Q779-A781 VanDerWaalsContact C-N 3.31Å; Q779-A781 PolarHBondContact O-N 2.7Å; Q779-N782 CarbonylContact O-C 3.49Å; Q779-N782 VanDerWaalsContact O-C 3.29Å; Q779-N782 PolarHBondContact O-N 2.96Å; Q779-L787 HydrophobicContact CB-CD2 4.48Å |
| 780 | L | 72.6 | Confident | 73.2 | Confident | 149 Ų | 149 | 73.1 Ų | 73.1 | 78% | 0.78 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.9 | -38.3 | 174 | -170.4 | 74.8 | 0 | 0 | 0 | 111.8 | E776 E777 N782 | E776-L780 WeakPolarHBondContact O-CB 3.47Å; E776-L780 PolarHBondContact O-N 3.46Å; E777-L780 PolarHBondContact O-N 3.05Å; L780-N782 VanDerWaalsContact C-N 3.32Å; L780-N782 PolarHBondContact O-N 3.48Å |
| 781 | A | 72.5 | Confident | 73.5 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 58% | 0.579 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -20 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E777 Q779 | E777-A781 WeakPolarHBondContact O-CB 3.17Å; E777-A781 PolarHBondContact O-N 3.36Å; Q779-A781 VanDerWaalsContact C-N 3.31Å; Q779-A781 PolarHBondContact O-N 2.7Å |
| 782 | N | 68.5 | Low | 73.8 | Confident | 66 Ų | 66 | 70 Ų | 70 | 35% | 0.353 | 38% | 0.376 | S | S | . | . | trans | -143.2 | 68.1 | -175.7 | -58.6 | -91.9 | 0 | 0 | 0 | 111.9 | A778 Q779 L780 D784 I785 | A778-N782 PolarHBondContact O-N 2.93Å; A778-N782 PolarHBondContact O-ND2 2.76Å; Q779-N782 CarbonylContact O-C 3.49Å; Q779-N782 VanDerWaalsContact O-C 3.29Å; Q779-N782 PolarHBondContact O-N 2.96Å; L780-N782 VanDerWaalsContact C-N 3.32Å; L780-N782 PolarHBondContact O-N 3.48Å; N782-D784 PolarHBondContact O-N 3Å; N782-I785 HydrophobicContact CB-CB 4.1Å; N782-I785 HydrophobicContact CB-CD1 4.03Å; N782-I785 HydrophobicContact CB-CG1 4.31Å; N782-I785 PolarHBondContact O-N 3.16Å; N782-I785 VanDerWaalsContact O-N 3.11Å | ||
| 783 | P | 62.5 | Low | 74 | Confident | 103 Ų | 103 | 66.4 Ų | 66.4 | 67% | 0.669 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -26.1 | -173.4 | 25.1 | -35.2 | 0 | 0 | 0 | 114.3 | I785 | P783-I785 VanDerWaalsContact C-N 3.3Å; P783-I785 PolarHBondContact O-N 2.98Å |
| 784 | D | 58.3 | Low | 74.4 | Confident | 160 Ų | 160 | 61.6 Ų | 61.6 | 86% | 0.856 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -1.6 | 179.3 | -60.6 | -56.6 | 0 | 0 | 0 | 114.1 | N782 | N782-D784 PolarHBondContact O-N 3Š|
| 785 | I | 68.6 | Low | 74.5 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 19% | 0.19 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -107.3 | 124.8 | -176.4 | -70 | 177.9 | 0 | 0 | 0 | 111.2 | T716 T718 N782 P783 | T716-I785 VanDerWaalsContact O-CG2 3.3Å; T716-I785 WeakPolarHBondContact O-CG2 3.43Å; T716-I785 VanDerWaalsContact OG1-CD1 3.29Å; T716-I785 WeakPolarHBondContact OG1-CD1 3.39Å; T718-I785 WeakPolarHBondContact OG1-CG2 3.4Å; N782-I785 HydrophobicContact CB-CB 4.1Å; N782-I785 HydrophobicContact CB-CD1 4.03Å; N782-I785 HydrophobicContact CB-CG1 4.31Å; N782-I785 PolarHBondContact O-N 3.16Å; N782-I785 VanDerWaalsContact O-N 3.11Å; P783-I785 VanDerWaalsContact C-N 3.3Å; P783-I785 PolarHBondContact O-N 2.98Å |
| 786 | P | 64.8 | Low | 74.6 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 147 | 175 | 27.8 | -32.9 | 0 | 0 | 0 | 112.5 | M717 T718 | M717-P786 WeakPolarHBondContact CA-O 3.49Å; M717-P786 HydrophobicContact CE-CB 4.13Å; M717-P786 HydrophobicContact CE-CG 4.23Å; M717-P786 HydrophobicContact CG-CG 4.29Å; M717-P786 WeakPolarHBondContact CG-O 3.25Å; T718-P786 PolarHBondContact N-O 2.87Å |
| 787 | L | 73 | Confident | 74.9 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -77.8 | 148.8 | 173.7 | -69.1 | 177.3 | 0 | 0 | 0 | 112.1 | M717 I775 Q779 E791 N792 | M717-L787 WeakPolarHBondContact CE-O 3.38Å; I775-L787 HydrophobicContact CG2-CD1 3.64Å; I775-L787 HydrophobicContact CG2-CD2 3.94Å; I775-L787 HydrophobicContact CG2-CG 4.45Å; Q779-L787 HydrophobicContact CB-CD2 4.48Å; L787-E791 HydrophobicContact CB-CB 4.08Å; L787-E791 HydrophobicContact CD2-CB 4.38Å; L787-N792 HydrophobicContact CB-CB 4.4Å |
| 788 | G | 78.3 | Confident | 75 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 162.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A790 E791 N792 | G788-A790 VanDerWaalsContact C-N 3.33Å; G788-A790 PolarHBondContact O-N 2.9Å; G788-E791 WeakPolarHBondContact CA-OE2 3.44Å; G788-E791 PolarHBondContact O-N 3.38Å; G788-N792 VanDerWaalsContact O-CB 3.28Å; G788-N792 WeakPolarHBondContact O-CB 3.18Å; G788-N792 PolarHBondContact O-N 2.62Å |
| 789 | P | 78.1 | Confident | 75.5 | Confident | 83 Ų | 83 | 52.3 Ų | 52.3 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.6 | -39.5 | -176.5 | -26.6 | 35.7 | 0 | 0 | 0 | 114.2 | F793 | P789-F793 WeakPolarHBondContact O-CB 3.49Å; P789-F793 PolarHBondContact O-N 2.77Å |
| 790 | A | 79.1 | Confident | 75.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.7 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L721 S726 I729 G788 F793 L794 | L721-A790 HydrophobicContact CD1-CB 3.99Å; S726-A790 WeakPolarHBondContact OG-CB 3.49Å; I729-A790 HydrophobicContact CB-CB 4.07Å; I729-A790 HydrophobicContact CG2-CB 3.73Å; G788-A790 VanDerWaalsContact C-N 3.33Å; G788-A790 PolarHBondContact O-N 2.9Å; A790-F793 PolarHBondContact O-N 3.33Å; A790-L794 PolarHBondContact O-N 2.66Å |
| 791 | E | 83.2 | Confident | 76.2 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 175.5 | -70.8 | 79.3 | 179.4 | 0 | 0 | 111.8 | T719 V720 L721 I775 L787 G788 F793 L794 M795 | T719-E791 WeakPolarHBondContact CA-OE1 3.37Å; T719-E791 WeakPolarHBondContact CG2-OE1 3.27Å; V720-E791 HydrophobicContact CB-CG 4.24Å; V720-E791 HydrophobicContact CG2-CG 4.47Å; V720-E791 PolarHBondContact N-OE1 3.29Å; L721-E791 HydrophobicContact CD1-CG 3.97Å; L721-E791 HydrophobicContact CG-CG 4.16Å; L721-E791 PolarHBondContact N-OE1 3.19Å; L721-E791 VanDerWaalsContact N-OE1 3.14Å; I775-E791 HydrophobicContact CD1-CB 4.23Å; I775-E791 HydrophobicContact CD1-CG 4.17Å; I775-E791 HydrophobicContact CG1-CB 4.43Å; I775-E791 HydrophobicContact CG1-CG 4.16Å; I775-E791 HydrophobicContact CG2-CB 4.27Å; L787-E791 HydrophobicContact CB-CB 4.08Å; L787-E791 HydrophobicContact CD2-CB 4.38Å; G788-E791 WeakPolarHBondContact CA-OE2 3.44Å; G788-E791 PolarHBondContact O-N 3.38Å; E791-F793 VanDerWaalsContact C-N 3.35Å; E791-F793 PolarHBondContact O-N 3.04Å; E791-L794 PolarHBondContact O-N 2.92Å; E791-M795 WeakPolarHBondContact O-CB 3.11Å; E791-M795 PolarHBondContact O-N 3.34Å |
| 792 | N | 82.1 | Confident | 76.5 | Confident | 82 Ų | 82 | 40.8 Ų | 40.8 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.9 | -34.7 | 176.5 | -178.1 | 60.3 | 0 | 0 | 0 | 112.4 | L787 G788 T796 | L787-N792 HydrophobicContact CB-CB 4.4Å; G788-N792 VanDerWaalsContact O-CB 3.28Å; G788-N792 WeakPolarHBondContact O-CB 3.18Å; G788-N792 PolarHBondContact O-N 2.62Å; N792-T796 WeakPolarHBondContact O-CB 3.49Å; N792-T796 PolarHBondContact O-N 3.34Å; N792-T796 PolarHBondContact O-OG1 3.34Å |
| 793 | F | 82.8 | Confident | 77.2 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.4 | -48.3 | 172.5 | 174.5 | -116.5 | 0 | 0 | 0 | 112.1 | I729 L733 L736 V739 I742 L762 M765 P789 A790 E791 M795 T796 L797 | I729-F793 HydrophobicContact CG2-CD1 3.58Å; I729-F793 HydrophobicContact CG2-CE1 4.14Å; L733-F793 HydrophobicContact CD1-CB 4.05Å; L733-F793 HydrophobicContact CD1-CD1 4.28Å; L733-F793 HydrophobicContact CD1-CG 4.15Å; L733-F793 HydrophobicContact CD2-CB 4.37Å; L733-F793 HydrophobicContact CD2-CD1 4.13Å; L733-F793 HydrophobicContact CD2-CD2 3.65Å; L733-F793 HydrophobicContact CD2-CE1 4.23Å; L733-F793 HydrophobicContact CD2-CE2 3.78Å; L733-F793 HydrophobicContact CD2-CG 3.8Å; L733-F793 HydrophobicContact CD2-CZ 4.04Å; L733-F793 HydrophobicContact CG-CD1 4.24Å; L733-F793 HydrophobicContact CG-CE1 4.44Å; L733-F793 HydrophobicContact CG-CG 4.28Å; L736-F793 HydrophobicContact CD1-CZ 4.17Å; V739-F793 HydrophobicContact CB-CD2 4.45Å; V739-F793 HydrophobicContact CG1-CD2 3.95Å; V739-F793 HydrophobicContact CG2-CD2 3.76Å; V739-F793 HydrophobicContact CG2-CE2 4.44Å; I742-F793 HydrophobicContact CD1-CE2 3.88Å; L762-F793 HydrophobicContact CD2-CE2 4.4Å; L762-F793 HydrophobicContact CD2-CZ 3.79Å; M765-F793 HydrophobicContact CE-CE1 4.47Å; P789-F793 WeakPolarHBondContact O-CB 3.49Å; P789-F793 PolarHBondContact O-N 2.77Å; A790-F793 PolarHBondContact O-N 3.33Å; E791-F793 VanDerWaalsContact C-N 3.35Å; E791-F793 PolarHBondContact O-N 3.04Å; F793-M795 VanDerWaalsContact C-N 3.32Å; F793-M795 PolarHBondContact O-N 3.15Å; F793-T796 WeakPolarHBondContact O-CB 3.5Å; F793-T796 PolarHBondContact O-N 3.34Å; F793-T796 VanDerWaalsContact O-N 3.15Å; F793-L797 HydrophobicContact CD1-CD1 4.23Å; F793-L797 HydrophobicContact CD2-CG 4.35Å; F793-L797 HydrophobicContact CE1-CD1 3.67Å; F793-L797 HydrophobicContact CE1-CG 4.45Å; F793-L797 HydrophobicContact CE2-CD1 4.04Å; F793-L797 HydrophobicContact CE2-CD2 4.28Å; F793-L797 HydrophobicContact CE2-CG 4.04Å; F793-L797 HydrophobicContact CZ-CD1 3.59Å; F793-L797 HydrophobicContact CZ-CD2 4.48Å; F793-L797 HydrophobicContact CZ-CG 4.12Å; F793-L797 PolarHBondContact O-N 3.3Å |
| 794 | L | 84.1 | Confident | 78.3 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 176.1 | -70.3 | -163.4 | 0 | 0 | 0 | 111.9 | L721 I729 P767 I775 A790 E791 L797 A798 | L721-L794 HydrophobicContact CD1-CD1 3.75Å; L721-L794 HydrophobicContact CD1-CG 4.35Å; L721-L794 HydrophobicContact CD2-CD1 3.81Å; L721-L794 HydrophobicContact CG-CD1 4.4Å; I729-L794 HydrophobicContact CD1-CD1 3.86Å; I729-L794 HydrophobicContact CD1-CD2 3.93Å; I729-L794 HydrophobicContact CD1-CG 3.96Å; P767-L794 HydrophobicContact CB-CB 4.2Å; P767-L794 HydrophobicContact CB-CD1 4.36Å; P767-L794 HydrophobicContact CB-CD2 4.12Å; P767-L794 HydrophobicContact CB-CG 4.46Å; I775-L794 HydrophobicContact CD1-CB 4.28Å; I775-L794 HydrophobicContact CD1-CD1 4.41Å; A790-L794 PolarHBondContact O-N 2.66Å; E791-L794 PolarHBondContact O-N 2.92Å; L794-L797 PolarHBondContact O-N 3.28Å; L794-A798 VanDerWaalsContact O-CB 3.27Å; L794-A798 WeakPolarHBondContact O-CB 3.28Å; L794-A798 PolarHBondContact O-N 3.28Å |
| 795 | M | 80.4 | Confident | 79.6 | Confident | 42 Ų | 42 | 28.7 Ų | 28.7 | 21% | 0.207 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.6 | -38.8 | 174.3 | -171.1 | 56.8 | 71.9 | 0 | 0 | 111.8 | I775 E776 E791 F793 L797 A798 S799 | I775-M795 HydrophobicContact CB-CE 4.05Å; I775-M795 HydrophobicContact CG2-CE 3.62Å; E776-M795 HydrophobicContact CB-CE 4.16Å; E791-M795 WeakPolarHBondContact O-CB 3.11Å; E791-M795 PolarHBondContact O-N 3.34Å; F793-M795 VanDerWaalsContact C-N 3.32Å; F793-M795 PolarHBondContact O-N 3.15Å; M795-L797 PolarHBondContact O-N 3.13Å; M795-A798 PolarHBondContact O-N 2.83Å; M795-S799 PolarHBondContact O-N 3.22Å |
| 796 | T | 80.8 | Confident | 80.5 | Confident | 29 Ų | 29 | 27.2 Ų | 27.2 | 18% | 0.178 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 173.5 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | V739 K743 N792 F793 S799 | V739-T796 HydrophobicContact CG1-CG2 3.76Å; K743-T796 HydrophobicContact CB-CG2 4.24Å; K743-T796 HydrophobicContact CD-CG2 3.98Å; N792-T796 WeakPolarHBondContact O-CB 3.49Å; N792-T796 PolarHBondContact O-N 3.34Å; N792-T796 PolarHBondContact O-OG1 3.34Å; F793-T796 WeakPolarHBondContact O-CB 3.5Å; F793-T796 PolarHBondContact O-N 3.34Å; F793-T796 VanDerWaalsContact O-N 3.15Å; T796-S799 PolarHBondContact O-N 2.78Å; T796-S799 PolarHBondContact O-OG 3.15Å |
| 797 | L | 82.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.8 | -44.9 | 174.5 | -73.7 | -174.2 | 0 | 0 | 0 | 112.4 | I742 L746 L762 P767 F793 L794 M795 S799 I800 L803 | I742-L797 HydrophobicContact CG2-CD2 4.38Å; L746-L797 HydrophobicContact CD1-CD2 4.07Å; L762-L797 HydrophobicContact CD2-CD1 4.24Å; L762-L797 HydrophobicContact CD2-CD2 4.14Å; P767-L797 HydrophobicContact CG-CB 4.26Å; F793-L797 HydrophobicContact CD1-CD1 4.23Å; F793-L797 HydrophobicContact CD2-CG 4.35Å; F793-L797 HydrophobicContact CE1-CD1 3.67Å; F793-L797 HydrophobicContact CE1-CG 4.45Å; F793-L797 HydrophobicContact CE2-CD1 4.04Å; F793-L797 HydrophobicContact CE2-CD2 4.28Å; F793-L797 HydrophobicContact CE2-CG 4.04Å; F793-L797 HydrophobicContact CZ-CD1 3.59Å; F793-L797 HydrophobicContact CZ-CD2 4.48Å; F793-L797 HydrophobicContact CZ-CG 4.12Å; F793-L797 PolarHBondContact O-N 3.3Å; L794-L797 PolarHBondContact O-N 3.28Å; M795-L797 PolarHBondContact O-N 3.13Å; L797-S799 PolarHBondContact O-N 2.99Å; L797-I800 HydrophobicContact CD2-CD1 4.29Å; L797-I800 WeakPolarHBondContact O-CB 3.47Å; L797-I800 PolarHBondContact O-N 3.13Å; L797-L803 HydrophobicContact CB-CD2 3.74Å; L797-L803 HydrophobicContact CD1-CD2 4.45Å; L797-L803 HydrophobicContact CD2-CD2 4.12Å; L797-L803 HydrophobicContact CG-CD2 4.32Å |
| 798 | A | 80.6 | Confident | 82.4 | Confident | 35 Ų | 35 | 28.3 Ų | 28.3 | 29% | 0.289 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.2 | -32.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P767 R772 L794 M795 I800 | P767-A798 HydrophobicContact CG-CB 4.41Å; R772-A798 HydrophobicContact CG-CB 3.91Å; L794-A798 VanDerWaalsContact O-CB 3.27Å; L794-A798 WeakPolarHBondContact O-CB 3.28Å; L794-A798 PolarHBondContact O-N 3.28Å; M795-A798 PolarHBondContact O-N 2.83Å; A798-I800 PolarHBondContact O-N 3.28Å; A798-I800 VanDerWaalsContact O-N 3.11Å |
| 799 | S | 80.4 | Confident | 82.9 | Confident | 62 Ų | 62 | 28.1 Ų | 28.1 | 43% | 0.434 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 1.2 | 174 | 79.4 | 0 | 0 | 0 | 0 | 115 | K743 M795 T796 L797 | K743-S799 PolarHBondContact NZ-OG 2.94Å; M795-S799 PolarHBondContact O-N 3.22Å; T796-S799 PolarHBondContact O-N 2.78Å; T796-S799 PolarHBondContact O-OG 3.15Å; L797-S799 PolarHBondContact O-N 2.99Å |
| 800 | I | 80.8 | Confident | 83.4 | Confident | 6 Ų | 6 | 24.2 Ų | 24.2 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -100.3 | 98.8 | 177.3 | -55.8 | 174.9 | 0 | 0 | 0 | 109.4 | K743 L746 L797 A798 G802 L803 | K743-I800 HydrophobicContact CB-CD1 4.25Å; K743-I800 HydrophobicContact CD-CG1 4.3Å; K743-I800 HydrophobicContact CG-CD1 4Å; K743-I800 HydrophobicContact CG-CG1 4.09Å; L746-I800 HydrophobicContact CB-CD1 4.26Å; L746-I800 HydrophobicContact CD1-CD1 3.72Å; L797-I800 HydrophobicContact CD2-CD1 4.29Å; L797-I800 WeakPolarHBondContact O-CB 3.47Å; L797-I800 PolarHBondContact O-N 3.13Å; A798-I800 PolarHBondContact O-N 3.28Å; A798-I800 VanDerWaalsContact O-N 3.11Å; I800-G802 PolarHBondContact O-N 3.27Å; I800-G802 VanDerWaalsContact O-N 3.16Å; I800-L803 HydrophobicContact CB-CB 4.34Å; I800-L803 HydrophobicContact CB-CD1 4.38Å; I800-L803 HydrophobicContact CD1-CD1 4.32Å; I800-L803 HydrophobicContact CG2-CB 4.43Å; I800-L803 HydrophobicContact CG2-CD1 4.25Å; I800-L803 WeakPolarHBondContact O-CB 3.31Å; I800-L803 PolarHBondContact O-N 3.28Å |
| 801 | G | 78.9 | Confident | 83.8 | Confident | 31 Ų | 31 | 24.9 Ų | 24.9 | 32% | 0.32 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 119.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R806 | G801-R806 PolarHBondContact O-NE 3.12Å; G801-R806 PolarHBondContact O-NH2 2.77Å |
| 802 | G | 78.9 | Confident | 84.2 | Confident | 24 Ų | 24 | 25.3 Ų | 25.3 | 25% | 0.247 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 20.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | I800 A804 A805 R806 L942 | I800-G802 PolarHBondContact O-N 3.27Å; I800-G802 VanDerWaalsContact O-N 3.16Å; G802-A804 VanDerWaalsContact C-N 3.27Å; G802-A804 PolarHBondContact O-N 3.29Å; G802-A804 VanDerWaalsContact O-N 3.07Å; G802-A805 PolarHBondContact O-N 3.31Å; G802-R806 PolarHBondContact O-N 3.33Å; G802-R806 VanDerWaalsContact O-N 3.11Å; G802-L942 WeakPolarHBondContact O-CD2 3.23Å |
| 803 | L | 83.9 | Confident | 84.6 | Confident | 15 Ų | 15 | 24.2 Ų | 24.2 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -41 | -48.4 | -175 | 178.6 | 62.8 | 0 | 0 | 0 | 114.7 | L746 L797 I800 A805 R806 L807 | L746-L803 HydrophobicContact CD1-CD1 3.85Å; L746-L803 HydrophobicContact CD2-CD1 4.49Å; L797-L803 HydrophobicContact CB-CD2 3.74Å; L797-L803 HydrophobicContact CD1-CD2 4.45Å; L797-L803 HydrophobicContact CD2-CD2 4.12Å; L797-L803 HydrophobicContact CG-CD2 4.32Å; I800-L803 HydrophobicContact CB-CB 4.34Å; I800-L803 HydrophobicContact CB-CD1 4.38Å; I800-L803 HydrophobicContact CD1-CD1 4.32Å; I800-L803 HydrophobicContact CG2-CB 4.43Å; I800-L803 HydrophobicContact CG2-CD1 4.25Å; I800-L803 WeakPolarHBondContact O-CB 3.31Å; I800-L803 PolarHBondContact O-N 3.28Å; L803-A805 PolarHBondContact O-N 2.87Å; L803-R806 WeakPolarHBondContact O-CB 3.38Å; L803-R806 PolarHBondContact O-N 3.49Å; L803-R806 VanDerWaalsContact O-N 3.08Å; L803-L807 HydrophobicContact CD1-CD1 3.82Å; L803-L807 HydrophobicContact CD1-CG 3.93Å; L803-L807 HydrophobicContact CD2-CD1 4.45Å; L803-L807 HydrophobicContact CG-CD1 3.85Å; L803-L807 HydrophobicContact CG-CG 4.37Å; L803-L807 PolarHBondContact O-N 2.92Å |
| 804 | A | 84.4 | Confident | 84.8 | Confident | 47 Ų | 47 | 27 Ų | 27 | 39% | 0.388 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -53.8 | -49.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M766 G802 R806 L807 Q808 | M766-A804 HydrophobicContact CE-CB 3.54Å; M766-A804 HydrophobicContact SD-CB 4.29Å; G802-A804 VanDerWaalsContact C-N 3.27Å; G802-A804 PolarHBondContact O-N 3.29Å; G802-A804 VanDerWaalsContact O-N 3.07Å; A804-R806 VanDerWaalsContact C-N 3.34Å; A804-R806 PolarHBondContact O-N 2.64Å; A804-L807 PolarHBondContact O-N 3.49Å; A804-Q808 WeakPolarHBondContact O-CB 3.43Å; A804-Q808 VanDerWaalsContact O-CG 3.26Å; A804-Q808 WeakPolarHBondContact O-CG 3.44Å; A804-Q808 PolarHBondContact O-N 2.8Å |
| 805 | A | 86.5 | Confident | 85.1 | Confident | 14 Ų | 14 | 28 Ų | 28 | 12% | 0.116 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.8 | -28.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G802 L803 L809 L942 | G802-A805 PolarHBondContact O-N 3.31Å; L803-A805 PolarHBondContact O-N 2.87Å; A805-L809 WeakPolarHBondContact O-CB 3.47Å; A805-L809 PolarHBondContact O-N 3.13Å; A805-L809 VanDerWaalsContact O-N 3.12Å; A805-L942 HydrophobicContact CB-CD1 4.29Å; A805-L942 HydrophobicContact CB-CD2 3.96Å; A805-L942 HydrophobicContact CB-CG 3.82Å |
| 806 | R | 87.9 | Confident | 85.6 | Confident | 5 Ų | 5 | 26.1 Ų | 26.1 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.3 | -50.9 | 172.6 | -59 | -172.9 | -172.1 | -113.6 | -3.6 | 110.9 | F749 G801 G802 L803 A804 L809 W810 L942 E946 | F749-R806 HydrophobicContact CZ-CB 4.36Å; G801-R806 PolarHBondContact O-NE 3.12Å; G801-R806 PolarHBondContact O-NH2 2.77Å; G802-R806 PolarHBondContact O-N 3.33Å; G802-R806 VanDerWaalsContact O-N 3.11Å; L803-R806 WeakPolarHBondContact O-CB 3.38Å; L803-R806 PolarHBondContact O-N 3.49Å; L803-R806 VanDerWaalsContact O-N 3.08Å; A804-R806 VanDerWaalsContact C-N 3.34Å; A804-R806 PolarHBondContact O-N 2.64Å; R806-L809 PolarHBondContact O-N 2.58Å; R806-W810 WeakPolarHBondContact O-CB 3.5Å; R806-W810 PolarHBondContact O-N 3.14Å; R806-L942 HydrophobicContact CG-CD1 4.03Å; R806-L942 HydrophobicContact CG-CD2 3.44Å; R806-L942 VanDerWaalsContact CG-CD2 3.44Å; R806-L942 HydrophobicContact CG-CG 4.39Å; R806-E946 PolarHBondContact NH1-O 2.96Å; R806-E946 PolarHBondContact NH2-O 3.48Å |
| 807 | L | 87.8 | Confident | 86 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64 | -45.4 | -178.6 | -71.7 | 170.1 | 0 | 0 | 0 | 111.9 | L746 I759 L762 L763 M766 L803 A804 W810 A811 | L746-L807 HydrophobicContact CD2-CD2 3.46Å; L746-L807 VanDerWaalsContact CD2-CD2 3.46Å; L746-L807 HydrophobicContact CD2-CG 4.24Å; I759-L807 HydrophobicContact CG2-CD2 4.12Å; L762-L807 HydrophobicContact CB-CD1 4.12Å; L762-L807 HydrophobicContact CB-CD2 3.69Å; L762-L807 HydrophobicContact CD1-CD2 4.22Å; L763-L807 HydrophobicContact CD2-CB 3.41Å; L763-L807 VanDerWaalsContact CD2-CB 3.41Å; L763-L807 HydrophobicContact CD2-CD1 4.04Å; L763-L807 HydrophobicContact CD2-CG 4.35Å; L763-L807 HydrophobicContact CG-CB 3.83Å; L763-L807 HydrophobicContact CG-CD1 4.32Å; M766-L807 HydrophobicContact CG-CD1 4.16Å; M766-L807 HydrophobicContact SD-CD1 4.34Å; L803-L807 HydrophobicContact CD1-CD1 3.82Å; L803-L807 HydrophobicContact CD1-CG 3.93Å; L803-L807 HydrophobicContact CD2-CD1 4.45Å; L803-L807 HydrophobicContact CG-CD1 3.85Å; L803-L807 HydrophobicContact CG-CG 4.37Å; L803-L807 PolarHBondContact O-N 2.92Å; A804-L807 PolarHBondContact O-N 3.49Å; L807-W810 PolarHBondContact O-N 3Å; L807-A811 WeakPolarHBondContact O-CB 3.24Å; L807-A811 PolarHBondContact O-N 3.35Å |
| 808 | Q | 88.1 | Confident | 86.4 | Confident | 106 Ų | 106 | 31.4 Ų | 31.4 | 50% | 0.495 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 177.4 | -70.1 | -68.8 | -16.8 | 0 | 0 | 112.3 | L763 A804 W810 F812 | L763-Q808 HydrophobicContact CD2-CG 4.12Å; A804-Q808 WeakPolarHBondContact O-CB 3.43Å; A804-Q808 VanDerWaalsContact O-CG 3.26Å; A804-Q808 WeakPolarHBondContact O-CG 3.44Å; A804-Q808 PolarHBondContact O-N 2.8Å; Q808-W810 VanDerWaalsContact C-N 3.34Å; Q808-W810 PolarHBondContact O-N 3.29Å; Q808-F812 WeakPolarHBondContact O-CB 3.49Å; Q808-F812 PolarHBondContact O-N 3.32Å |
| 809 | L | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.2 | -37.1 | 174.8 | 177.9 | 58.2 | 0 | 0 | 0 | 112.2 | F749 A805 R806 K813 A935 L939 L942 L955 L959 | F749-L809 HydrophobicContact CE1-CB 4.41Å; F749-L809 HydrophobicContact CE1-CD2 4.31Å; F749-L809 HydrophobicContact CE1-CG 4.1Å; F749-L809 HydrophobicContact CZ-CD2 4.14Å; F749-L809 HydrophobicContact CZ-CG 4.35Å; A805-L809 WeakPolarHBondContact O-CB 3.47Å; A805-L809 PolarHBondContact O-N 3.13Å; A805-L809 VanDerWaalsContact O-N 3.12Å; R806-L809 PolarHBondContact O-N 2.58Å; L809-K813 WeakPolarHBondContact O-CB 3.43Å; L809-K813 PolarHBondContact O-N 2.69Å; L809-A935 HydrophobicContact CD1-CB 3.88Å; L809-L939 HydrophobicContact CD2-CB 4.03Å; L809-L939 HydrophobicContact CD2-CD1 4.05Å; L809-L942 HydrophobicContact CD2-CD1 3.97Å; L809-L955 HydrophobicContact CD2-CD1 4.07Å; L809-L955 HydrophobicContact CD2-CD2 4.45Å; L809-L959 HydrophobicContact CD1-CD1 3.96Å; L809-L959 HydrophobicContact CD1-CD2 4.06Å; L809-L959 HydrophobicContact CD1-CG 4.35Å |
| 810 | W | 88.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73.9 | -43 | 179.5 | -160.4 | -1 | 0 | 0 | 0 | 112.1 | A745 L746 F749 D750 V754 I759 R806 L807 Q808 F812 K813 L814 | A745-W810 HydrophobicContact CB-CH2 4.27Å; L746-W810 HydrophobicContact CD2-CE3 3.93Å; L746-W810 HydrophobicContact CD2-CZ3 3.82Å; L746-W810 HydrophobicContact CG-CZ3 4.41Å; F749-W810 HydrophobicContact CD1-CB 3.81Å; F749-W810 AromaticContact CD1-CD1 3.89Å; F749-W810 HydrophobicContact CD1-CD2 4.05Å; F749-W810 AromaticContact CD1-CG 3.63Å; F749-W810 HydrophobicContact CD1-CG 3.63Å; F749-W810 HydrophobicContact CE1-CB 3.62Å; F749-W810 HydrophobicContact CE1-CG 4Å; F749-W810 HydrophobicContact CG-CD2 4.42Å; F749-W810 HydrophobicContact CG-CG 4.44Å; D750-W810 VanDerWaalsContact C-CZ2 3.48Å; D750-W810 WeakPolarHBondContact O-CH2 3.27Å; D750-W810 VanDerWaalsContact O-CZ2 3.29Å; D750-W810 WeakPolarHBondContact O-CZ2 3.37Å; V754-W810 HydrophobicContact CB-CH2 3.82Å; V754-W810 HydrophobicContact CB-CZ3 4.3Å; V754-W810 HydrophobicContact CG2-CH2 4.08Å; V754-W810 HydrophobicContact CG2-CZ3 4.42Å; I759-W810 HydrophobicContact CD1-CB 4.45Å; I759-W810 HydrophobicContact CD1-CD2 3.49Å; I759-W810 VanDerWaalsContact CD1-CD2 3.49Å; I759-W810 HydrophobicContact CD1-CE3 3.84Å; I759-W810 HydrophobicContact CD1-CG 3.77Å; I759-W810 HydrophobicContact CD1-CH2 4.4Å; I759-W810 HydrophobicContact CD1-CZ2 4.09Å; I759-W810 HydrophobicContact CD1-CZ3 4.28Å; I759-W810 HydrophobicContact CG1-CD2 4.17Å; I759-W810 HydrophobicContact CG1-CE3 4.01Å; I759-W810 HydrophobicContact CG1-CZ3 4.34Å; R806-W810 WeakPolarHBondContact O-CB 3.5Å; R806-W810 PolarHBondContact O-N 3.14Å; L807-W810 PolarHBondContact O-N 3Å; Q808-W810 VanDerWaalsContact C-N 3.34Å; Q808-W810 PolarHBondContact O-N 3.29Å; W810-F812 PolarHBondContact O-N 2.67Å; W810-K813 WeakPolarHBondContact O-CB 3.23Å; W810-K813 PolarHBondContact O-N 3.36Å; W810-K813 VanDerWaalsContact O-N 3.12Å; W810-L814 PolarHBondContact O-N 3.32Å; W810-L814 VanDerWaalsContact O-N 3.09Å |
| 811 | A | 89 | Confident | 88.1 | Confident | 15 Ų | 15 | 33.8 Ų | 33.8 | 12% | 0.124 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57 | -48.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I759 L763 L807 K813 L814 D815 | I759-A811 HydrophobicContact CG2-CB 4Å; L763-A811 HydrophobicContact CD1-CB 4.2Å; L807-A811 WeakPolarHBondContact O-CB 3.24Å; L807-A811 PolarHBondContact O-N 3.35Å; A811-K813 VanDerWaalsContact C-N 3.3Å; A811-K813 PolarHBondContact O-N 3.38Å; A811-L814 PolarHBondContact O-N 3.49Å; A811-D815 WeakPolarHBondContact O-CB 3.42Å; A811-D815 PolarHBondContact O-N 3.29Å |
| 812 | F | 91.1 | Very high | 88.8 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 4% | 0.044 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57 | -41.9 | 174 | 176.5 | -106.7 | 0 | 0 | 0 | 112.7 | Q808 W810 L814 D815 Y816 L928 R931 S932 A935 F958 L959 C962 | Q808-F812 WeakPolarHBondContact O-CB 3.49Å; Q808-F812 PolarHBondContact O-N 3.32Å; W810-F812 PolarHBondContact O-N 2.67Å; F812-L814 VanDerWaalsContact C-N 3.3Å; F812-L814 PolarHBondContact O-N 2.92Å; F812-D815 PolarHBondContact O-N 2.98Å; F812-Y816 HydrophobicContact CE1-CD2 4.23Å; F812-Y816 HydrophobicContact CE2-CD2 4.05Å; F812-Y816 AromaticContact CZ-CD2 3.59Å; F812-Y816 HydrophobicContact CZ-CD2 3.59Å; F812-Y816 HydrophobicContact CZ-CE2 4.25Å; F812-Y816 WeakPolarHBondContact O-CB 3.31Å; F812-Y816 PolarHBondContact O-N 3.04Å; F812-L928 HydrophobicContact CE2-CD1 4.08Å; F812-R931 HydrophobicContact CD2-CB 3.65Å; F812-R931 HydrophobicContact CE2-CB 3.73Å; F812-S932 VanDerWaalsContact CZ-CA 3.47Å; F812-A935 HydrophobicContact CB-CB 4.26Å; F812-A935 HydrophobicContact CD1-CB 3.34Å; F812-A935 HydrophobicContact CE1-CB 3.78Å; F812-A935 HydrophobicContact CG-CB 3.82Å; F812-F958 HydrophobicContact CD1-CE1 4.28Å; F812-F958 HydrophobicContact CE1-CE1 4.18Å; F812-L959 HydrophobicContact CD1-CD2 3.98Å; F812-L959 HydrophobicContact CE1-CD2 3.65Å; F812-C962 HydrophobicContact CE1-CB 4.44Å; F812-C962 HydrophobicContact CZ-CB 4.43Å |
| 813 | K | 89.3 | Confident | 89.5 | Confident | 60 Ų | 60 | 36.1 Ų | 36.1 | 26% | 0.261 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.9 | -36.4 | 179 | -159.1 | -143.9 | 171.8 | -162.7 | 0 | 112.7 | E751 L809 W810 A811 F958 | E751-K813 IonicContact OE1-NZ 2.65Å; E751-K813 PolarHBondContact OE1-NZ 3.16Å; E751-K813 IonicContact OE2-NZ 2.97Å; L809-K813 WeakPolarHBondContact O-CB 3.43Å; L809-K813 PolarHBondContact O-N 2.69Å; W810-K813 WeakPolarHBondContact O-CB 3.23Å; W810-K813 PolarHBondContact O-N 3.36Å; W810-K813 VanDerWaalsContact O-N 3.12Å; A811-K813 VanDerWaalsContact C-N 3.3Å; A811-K813 PolarHBondContact O-N 3.38Å; K813-F958 HydrophobicContact CB-CE1 3.97Å; K813-F958 HydrophobicContact CB-CZ 4.16Å; K813-F958 HydrophobicContact CG-CD1 3.89Å; K813-F958 HydrophobicContact CG-CD2 4.33Å; K813-F958 HydrophobicContact CG-CE1 3.47Å; K813-F958 VanDerWaalsContact CG-CE1 3.47Å; K813-F958 HydrophobicContact CG-CE2 3.94Å; K813-F958 HydrophobicContact CG-CG 4.31Å; K813-F958 HydrophobicContact CG-CZ 3.5Å; K813-F958 VanDerWaalsContact CG-CZ 3.5Å |
| 814 | L | 88 | Confident | 90 | Very high | 59 Ų | 59 | 35.5 Ų | 35.5 | 31% | 0.309 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -80.6 | -32.7 | 179 | -65.2 | 176.6 | 0 | 0 | 0 | 112.8 | E751 K756 I759 W810 A811 F812 | E751-L814 HydrophobicContact CG-CD2 4.34Å; K756-L814 HydrophobicContact CB-CD1 4.22Å; I759-L814 HydrophobicContact CD1-CD1 3.42Å; I759-L814 VanDerWaalsContact CD1-CD1 3.42Å; W810-L814 PolarHBondContact O-N 3.32Å; W810-L814 VanDerWaalsContact O-N 3.09Å; A811-L814 PolarHBondContact O-N 3.49Å; F812-L814 VanDerWaalsContact C-N 3.3Å; F812-L814 PolarHBondContact O-N 2.92Å |
| 815 | D | 89.7 | Confident | 90.5 | Very high | 23 Ų | 23 | 37.8 Ų | 37.8 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -77.1 | -28.9 | 179.3 | -81.9 | -0.2 | 0 | 0 | 0 | 113.6 | K756 A811 F812 D817 S818 M819 R931 | K756-D815 VanDerWaalsContact CE-OD1 3.23Å; K756-D815 WeakPolarHBondContact CE-OD1 3.19Å; K756-D815 IonicContact NZ-OD1 3.34Å; K756-D815 PolarHBondContact NZ-OD1 3.37Å; A811-D815 WeakPolarHBondContact O-CB 3.42Å; A811-D815 PolarHBondContact O-N 3.29Å; F812-D815 PolarHBondContact O-N 2.98Å; D815-D817 PolarHBondContact O-N 2.92Å; D815-S818 WeakPolarHBondContact O-CB 3.41Å; D815-S818 PolarHBondContact O-N 3.4Å; D815-M819 HydrophobicContact CB-CG 4.36Å; D815-M819 HydrophobicContact CB-SD 4.29Å; D815-M819 PolarHBondContact O-N 2.7Å; D815-R931 IonicContact OD2-NH1 3.28Å; D815-R931 PolarHBondContact OD2-NH1 3.12Å |
| 816 | Y | 91.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -51.8 | -51.1 | -167.8 | -176.4 | -89 | 0 | 0 | 0 | 113.5 | F812 S818 M819 E820 L928 F958 C962 R965 V966 | F812-Y816 HydrophobicContact CE1-CD2 4.23Å; F812-Y816 HydrophobicContact CE2-CD2 4.05Å; F812-Y816 AromaticContact CZ-CD2 3.59Å; F812-Y816 HydrophobicContact CZ-CD2 3.59Å; F812-Y816 HydrophobicContact CZ-CE2 4.25Å; F812-Y816 WeakPolarHBondContact O-CB 3.31Å; F812-Y816 PolarHBondContact O-N 3.04Å; Y816-S818 PolarHBondContact O-N 3.39Å; Y816-M819 PolarHBondContact O-N 2.91Å; Y816-E820 HydrophobicContact CE1-CB 4.11Å; Y816-E820 HydrophobicContact CE1-CG 4.4Å; Y816-E820 VanDerWaalsContact CE1-OE1 3.24Å; Y816-E820 WeakPolarHBondContact CE1-OE1 3.46Å; Y816-E820 VanDerWaalsContact CZ-OE1 3.28Å; Y816-E820 WeakPolarHBondContact O-CB 3.31Å; Y816-E820 PolarHBondContact O-N 3.05Å; Y816-E820 PolarHBondContact OH-OE1 3.38Å; Y816-L928 HydrophobicContact CD2-CD1 3.9Å; Y816-L928 HydrophobicContact CE2-CD1 3.96Å; Y816-L928 HydrophobicContact CE2-CG 4.5Å; Y816-F958 HydrophobicContact CG-CZ 4.24Å; Y816-C962 HydrophobicContact CD2-CB 4Å; Y816-C962 VanDerWaalsContact CD2-SG 3.53Å; Y816-C962 HydrophobicContact CE2-CB 3.56Å; Y816-R965 VanDerWaalsContact OH-CB 3.25Å; Y816-R965 WeakPolarHBondContact OH-CB 3.15Å; Y816-V966 HydrophobicContact CE2-CG2 3.92Å |
| 817 | D | 90.1 | Very high | 91.2 | Very high | 91 Ų | 91 | 37.6 Ų | 37.6 | 49% | 0.487 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.7 | -12.5 | -176.9 | -68.2 | -22.4 | 0 | 0 | 0 | 113.3 | D815 R821 | D815-D817 PolarHBondContact O-N 2.92Å; D817-R821 PolarHBondContact O-NH1 3Å; D817-R821 PolarHBondContact O-NH2 3.12Å |
| 818 | S | 91.3 | Very high | 91.5 | Very high | 52 Ų | 52 | 40 Ų | 40 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -88 | -54.7 | 170.2 | -156.3 | 0 | 0 | 0 | 0 | 110.1 | D815 Y816 E820 R821 E822 | D815-S818 WeakPolarHBondContact O-CB 3.41Å; D815-S818 PolarHBondContact O-N 3.4Å; Y816-S818 PolarHBondContact O-N 3.39Å; S818-E820 PolarHBondContact O-N 3.29Å; S818-R821 PolarHBondContact O-N 2.96Å; S818-E822 VanDerWaalsContact C-OE1 3.22Å; S818-E822 VanDerWaalsContact CB-OE1 3.29Å; S818-E822 WeakPolarHBondContact CB-OE1 3.26Å; S818-E822 WeakPolarHBondContact O-CG 3.19Å; S818-E822 PolarHBondContact O-N 3.34Å; S818-E822 PolarHBondContact OG-OE1 2.83Å |
| 819 | M | 90.9 | Very high | 91.8 | Very high | 19 Ų | 19 | 36 Ų | 36 | 9% | 0.094 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.8 | -37 | 179.8 | -65.7 | -170.3 | 74.3 | 0 | 0 | 112.8 | D815 Y816 I823 L928 R931 | D815-M819 HydrophobicContact CB-CG 4.36Å; D815-M819 HydrophobicContact CB-SD 4.29Å; D815-M819 PolarHBondContact O-N 2.7Å; Y816-M819 PolarHBondContact O-N 2.91Å; M819-I823 VanDerWaalsContact O-CD1 3.29Å; M819-I823 WeakPolarHBondContact O-CD1 3.33Å; M819-I823 VanDerWaalsContact O-CG1 3.32Å; M819-I823 WeakPolarHBondContact O-CG1 3.41Å; M819-I823 PolarHBondContact O-N 2.75Å; M819-L928 HydrophobicContact CB-CD1 3.9Å; M819-L928 HydrophobicContact CB-CD2 4.47Å; M819-L928 HydrophobicContact CE-CB 4.18Å; M819-L928 HydrophobicContact CE-CD1 4.33Å; M819-L928 HydrophobicContact SD-CD1 4.08Å; M819-R931 PolarHBondContact SD-NH1 3.3Å |
| 820 | E | 93.3 | Very high | 92.1 | Very high | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.056 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.1 | -43.4 | 176.4 | -175.6 | -179.6 | -105.4 | 0 | 0 | 112.3 | I567 Y816 S818 I823 A824 R965 L969 | I567-E820 HydrophobicContact CG2-CG 4.11Å; Y816-E820 HydrophobicContact CE1-CB 4.11Å; Y816-E820 HydrophobicContact CE1-CG 4.4Å; Y816-E820 VanDerWaalsContact CE1-OE1 3.24Å; Y816-E820 WeakPolarHBondContact CE1-OE1 3.46Å; Y816-E820 VanDerWaalsContact CZ-OE1 3.28Å; Y816-E820 WeakPolarHBondContact O-CB 3.31Å; Y816-E820 PolarHBondContact O-N 3.05Å; Y816-E820 PolarHBondContact OH-OE1 3.38Å; S818-E820 PolarHBondContact O-N 3.29Å; E820-I823 PolarHBondContact O-N 3.18Å; E820-A824 VanDerWaalsContact O-CB 3.27Å; E820-A824 WeakPolarHBondContact O-CB 3.46Å; E820-A824 PolarHBondContact O-N 3.13Å; E820-R965 VanDerWaalsContact CD-NE 3.34Å; E820-R965 VanDerWaalsContact OE1-CB 3.25Å; E820-R965 WeakPolarHBondContact OE1-CB 3.4Å; E820-R965 WeakPolarHBondContact OE1-CD 3.26Å; E820-R965 IonicContact OE1-CZ 3.41Å; E820-R965 IonicContact OE1-NE 3.29Å; E820-R965 PolarHBondContact OE1-NE 2.89Å; E820-R965 IonicContact OE1-NH2 3.26Å; E820-R965 IonicContact OE2-CZ 2.68Å; E820-R965 VanDerWaalsContact OE2-CZ 3.26Å; E820-R965 IonicContact OE2-NE 2.72Å; E820-R965 PolarHBondContact OE2-NE 3.29Å; E820-R965 VanDerWaalsContact OE2-NE 3.12Å; E820-R965 IonicContact OE2-NH2 2.73Å; E820-R965 PolarHBondContact OE2-NH2 2.95Å; E820-L969 HydrophobicContact CG-CD1 4.01Å |
| 821 | R | 92.7 | Very high | 92.3 | Very high | 121 Ų | 121 | 36.7 Ų | 36.7 | 46% | 0.457 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.3 | -43.3 | 180 | -174.2 | -175.7 | -58.1 | 85.6 | 18.2 | 111.5 | D817 S818 I823 A824 E825 | D817-R821 PolarHBondContact O-NH1 3Å; D817-R821 PolarHBondContact O-NH2 3.12Å; S818-R821 PolarHBondContact O-N 2.96Å; R821-I823 PolarHBondContact O-N 2.88Å; R821-I823 VanDerWaalsContact O-N 3.14Å; R821-A824 PolarHBondContact O-N 2.86Å; R821-A824 VanDerWaalsContact O-N 3.16Å; R821-E825 WeakPolarHBondContact CD-OE1 3.25Å; R821-E825 HydrophobicContact CG-CG 3.81Å; R821-E825 WeakPolarHBondContact CG-OE1 3.25Å; R821-E825 PolarHBondContact O-N 3.45Å |
| 822 | E | 93.3 | Very high | 92.6 | Very high | 102 Ų | 102 | 37.6 Ų | 37.6 | 48% | 0.477 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -56.9 | -25.3 | 175.6 | -70.9 | 159.4 | -137.4 | 0 | 0 | 112.8 | S818 P826 L921 | S818-E822 VanDerWaalsContact C-OE1 3.22Å; S818-E822 VanDerWaalsContact CB-OE1 3.29Å; S818-E822 WeakPolarHBondContact CB-OE1 3.26Å; S818-E822 WeakPolarHBondContact O-CG 3.19Å; S818-E822 PolarHBondContact O-N 3.34Å; S818-E822 PolarHBondContact OG-OE1 2.83Å; E822-P826 WeakPolarHBondContact O-CD 3.48Å; E822-L921 WeakPolarHBondContact O-CD1 3.47Å |
| 823 | I | 94.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -94.1 | -41 | 174.3 | -59 | 161.2 | 0 | 0 | 0 | 111.7 | M819 E820 R821 L827 L921 N924 L925 L928 L969 | M819-I823 VanDerWaalsContact O-CD1 3.29Å; M819-I823 WeakPolarHBondContact O-CD1 3.33Å; M819-I823 VanDerWaalsContact O-CG1 3.32Å; M819-I823 WeakPolarHBondContact O-CG1 3.41Å; M819-I823 PolarHBondContact O-N 2.75Å; E820-I823 PolarHBondContact O-N 3.18Å; R821-I823 PolarHBondContact O-N 2.88Å; R821-I823 VanDerWaalsContact O-N 3.14Å; I823-L827 HydrophobicContact CG2-CD1 4.1Å; I823-L827 WeakPolarHBondContact O-CD1 3.28Å; I823-L827 WeakPolarHBondContact O-CG 3.45Å; I823-L921 HydrophobicContact CG2-CG 4.46Å; I823-N924 HydrophobicContact CD1-CB 4.42Å; I823-N924 HydrophobicContact CG1-CB 4.28Å; I823-L925 HydrophobicContact CD1-CB 4.09Å; I823-L925 HydrophobicContact CD1-CD1 4.36Å; I823-L925 HydrophobicContact CG2-CB 4.33Å; I823-L928 HydrophobicContact CD1-CB 4.23Å; I823-L928 HydrophobicContact CD1-CD2 3.76Å; I823-L969 HydrophobicContact CB-CD2 4.36Å; I823-L969 HydrophobicContact CG2-CD2 3.91Å |
| 824 | A | 93.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74.1 | -38.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I567 L570 E820 R821 L827 F828 L969 | I567-A824 HydrophobicContact CG2-CB 4.1Å; L570-A824 HydrophobicContact CD1-CB 3.85Å; E820-A824 VanDerWaalsContact O-CB 3.27Å; E820-A824 WeakPolarHBondContact O-CB 3.46Å; E820-A824 PolarHBondContact O-N 3.13Å; R821-A824 PolarHBondContact O-N 2.86Å; R821-A824 VanDerWaalsContact O-N 3.16Å; A824-L827 PolarHBondContact O-N 3.01Å; A824-F828 PolarHBondContact O-N 2.89Å; A824-L969 HydrophobicContact CB-CD2 4.15Å |
| 825 | E | 94.5 | Very high | 93 | Very high | 95 Ų | 95 | 34.2 Ų | 34.2 | 44% | 0.444 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.2 | -47.4 | -178 | -73.3 | -179.5 | 173.5 | 0 | 0 | 112.7 | L570 R821 L827 F828 D829 | L570-E825 HydrophobicContact CD1-CG 4.19Å; R821-E825 WeakPolarHBondContact CD-OE1 3.25Å; R821-E825 HydrophobicContact CG-CG 3.81Å; R821-E825 WeakPolarHBondContact CG-OE1 3.25Å; R821-E825 PolarHBondContact O-N 3.45Å; E825-L827 VanDerWaalsContact C-N 3.31Å; E825-L827 PolarHBondContact O-N 3.14Å; E825-F828 PolarHBondContact O-N 2.8Å; E825-D829 WeakPolarHBondContact O-CB 3.28Å; E825-D829 PolarHBondContact O-N 2.98Å |
| 826 | P | 95 | Very high | 93.2 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.7 | -31.9 | 177.1 | -25.6 | 36.7 | 0 | 0 | 0 | 114.5 | E822 L830 V916 F918 L921 | E822-P826 WeakPolarHBondContact O-CD 3.48Å; P826-L830 WeakPolarHBondContact O-CB 3.24Å; P826-L830 PolarHBondContact O-N 3.37Å; P826-V916 HydrophobicContact CB-CB 4.35Å; P826-V916 HydrophobicContact CB-CG1 3.85Å; P826-V916 HydrophobicContact CB-CG2 4.14Å; P826-V916 HydrophobicContact CG-CG1 3.97Å; P826-V916 HydrophobicContact CG-CG2 4.08Å; P826-F918 HydrophobicContact CB-CE1 4.39Å; P826-F918 HydrophobicContact CB-CZ 4.35Å; P826-L921 HydrophobicContact CB-CD1 4.21Å; P826-L921 HydrophobicContact CB-CD2 4.08Å; P826-L921 HydrophobicContact CG-CD1 3.97Å |
| 827 | L | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.3 | -39.3 | 175.1 | -67 | 173.4 | 0 | 0 | 0 | 111.5 | F572 I823 A824 E825 K831 L921 V972 H973 V976 | F572-L827 HydrophobicContact CE1-CB 4.48Å; I823-L827 HydrophobicContact CG2-CD1 4.1Å; I823-L827 WeakPolarHBondContact O-CD1 3.28Å; I823-L827 WeakPolarHBondContact O-CG 3.45Å; A824-L827 PolarHBondContact O-N 3.01Å; E825-L827 VanDerWaalsContact C-N 3.31Å; E825-L827 PolarHBondContact O-N 3.14Å; L827-K831 WeakPolarHBondContact O-CB 3.33Å; L827-K831 PolarHBondContact O-N 2.92Å; L827-K831 VanDerWaalsContact O-N 3.13Å; L827-L921 HydrophobicContact CD2-CD2 4Å; L827-L921 HydrophobicContact CG-CD2 4.08Å; L827-V972 HydrophobicContact CB-CG1 4.44Å; L827-V972 HydrophobicContact CD1-CG1 4.32Å; L827-H973 HydrophobicContact CD1-CB 3.91Å; L827-H973 HydrophobicContact CD2-CB 4.47Å; L827-V976 HydrophobicContact CD2-CB 4.43Å; L827-V976 HydrophobicContact CD2-CG1 4.32Å |
| 828 | F | 94.1 | Very high | 93.1 | Very high | 53 Ų | 53 | 33.8 Ų | 33.8 | 23% | 0.232 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67 | -43.4 | 173.9 | -172.8 | -99.2 | 0 | 0 | 0 | 111.8 | L570 D571 F572 A824 E825 L830 K831 V832 | L570-F828 HydrophobicContact CB-CD2 4.09Å; L570-F828 HydrophobicContact CB-CG 4.42Å; L570-F828 HydrophobicContact CD1-CB 4.12Å; L570-F828 HydrophobicContact CD2-CB 4.39Å; L570-F828 HydrophobicContact CD2-CD1 3.95Å; L570-F828 HydrophobicContact CD2-CD2 4.27Å; L570-F828 HydrophobicContact CD2-CE1 4.26Å; L570-F828 HydrophobicContact CD2-CG 3.94Å; D571-F828 WeakPolarHBondContact O-CE2 3.36Å; F572-F828 HydrophobicContact CE1-CB 3.95Å; F572-F828 HydrophobicContact CE1-CD2 4.01Å; F572-F828 HydrophobicContact CE1-CG 4.5Å; F572-F828 HydrophobicContact CZ-CB 3.75Å; F572-F828 HydrophobicContact CZ-CD2 4.03Å; F572-F828 HydrophobicContact CZ-CG 4.4Å; A824-F828 PolarHBondContact O-N 2.89Å; E825-F828 PolarHBondContact O-N 2.8Å; F828-L830 VanDerWaalsContact C-N 3.33Å; F828-L830 PolarHBondContact O-N 2.9Å; F828-K831 WeakPolarHBondContact O-CB 3.22Å; F828-K831 PolarHBondContact O-N 3.15Å; F828-V832 HydrophobicContact CD1-CG2 4.06Å; F828-V832 HydrophobicContact CE1-CG2 3.67Å; F828-V832 HydrophobicContact CE2-CG2 4.25Å; F828-V832 HydrophobicContact CZ-CG2 3.78Å; F828-V832 WeakPolarHBondContact O-CB 3.37Å; F828-V832 WeakPolarHBondContact O-CG2 3.49Å; F828-V832 PolarHBondContact O-N 3.11Å |
| 829 | D | 94.7 | Very high | 93 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 12% | 0.118 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -36 | 176.4 | -83 | -18.2 | 0 | 0 | 0 | 112.6 | E825 G833 A909 R912 C913 | E825-D829 WeakPolarHBondContact O-CB 3.28Å; E825-D829 PolarHBondContact O-N 2.98Å; D829-G833 WeakPolarHBondContact O-CA 3.29Å; D829-G833 PolarHBondContact O-N 3.4Å; D829-A909 HydrophobicContact CB-CB 4.27Å; D829-A909 WeakPolarHBondContact O-CB 3.36Å; D829-R912 IonicContact OD1-CZ 3.1Å; D829-R912 IonicContact OD1-NE 2.68Å; D829-R912 PolarHBondContact OD1-NE 3.45Å; D829-R912 IonicContact OD1-NH2 3.77Å; D829-R912 PolarHBondContact OD1-NH2 3.4Å; D829-R912 IonicContact OD2-CZ 3.93Å; D829-R912 IonicContact OD2-NE 2.78Å; D829-R912 PolarHBondContact OD2-NE 3.46Å; D829-R912 IonicContact OD2-NH2 3.7Å; D829-C913 VanDerWaalsContact CB-SG 3.56Å |
| 830 | L | 95 | Very high | 93 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.7 | -46.1 | 175.6 | 179.3 | 57.7 | 0 | 0 | 0 | 110.9 | P826 F828 G833 M834 C913 F918 V976 F980 I999 | P826-L830 WeakPolarHBondContact O-CB 3.24Å; P826-L830 PolarHBondContact O-N 3.37Å; F828-L830 VanDerWaalsContact C-N 3.33Å; F828-L830 PolarHBondContact O-N 2.9Å; L830-G833 PolarHBondContact O-N 3.38Å; L830-M834 HydrophobicContact CG-CE 4.37Å; L830-M834 WeakPolarHBondContact O-CG 3.33Å; L830-M834 PolarHBondContact O-N 3.39Å; L830-C913 VanDerWaalsContact CA-SG 3.57Å; L830-C913 PolarHBondContact N-SG 3.09Å; L830-F918 HydrophobicContact CB-CE1 4.25Å; L830-F918 HydrophobicContact CB-CZ 4.22Å; L830-F918 HydrophobicContact CD2-CD1 4.32Å; L830-F918 HydrophobicContact CD2-CE1 3.71Å; L830-F918 HydrophobicContact CD2-CZ 4.11Å; L830-V976 HydrophobicContact CB-CG1 4.16Å; L830-V976 HydrophobicContact CD2-CG1 3.83Å; L830-V976 HydrophobicContact CG-CG1 4.03Å; L830-F980 HydrophobicContact CD1-CD2 4.09Å; L830-I999 HydrophobicContact CD1-CG2 3.82Å; L830-I999 HydrophobicContact CD2-CD1 4.01Å; L830-I999 HydrophobicContact CD2-CG1 4.47Å; L830-I999 HydrophobicContact CD2-CG2 3.7Å; L830-I999 HydrophobicContact CG-CG2 4.42Å |
| 831 | K | 93.8 | Very high | 92.8 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.2 | -55.4 | 175.3 | 179.6 | -130.7 | -178.2 | -178 | 0 | 111.8 | D571 F572 D574 L575 L827 F828 G833 M834 E835 V976 | D571-K831 PolarHBondContact O-NZ 2.88Å; F572-K831 HydrophobicContact CD1-CD 4.43Å; D574-K831 VanDerWaalsContact CG-CE 3.46Å; D574-K831 WeakPolarHBondContact OD1-CE 3.34Å; D574-K831 IonicContact OD1-NZ 3.75Å; D574-K831 PolarHBondContact OD1-NZ 2.62Å; D574-K831 WeakPolarHBondContact OD2-CE 3.18Å; D574-K831 IonicContact OD2-NZ 3.19Å; D574-K831 PolarHBondContact OD2-NZ 3.29Å; L575-K831 HydrophobicContact CD2-CG 4.32Å; L827-K831 WeakPolarHBondContact O-CB 3.33Å; L827-K831 PolarHBondContact O-N 2.92Å; L827-K831 VanDerWaalsContact O-N 3.13Å; F828-K831 WeakPolarHBondContact O-CB 3.22Å; F828-K831 PolarHBondContact O-N 3.15Å; K831-G833 VanDerWaalsContact C-N 3.26Å; K831-G833 PolarHBondContact O-N 2.92Å; K831-M834 PolarHBondContact O-N 2.9Å; K831-E835 VanDerWaalsContact CE-OE1 3.31Å; K831-E835 WeakPolarHBondContact CE-OE1 3.25Å; K831-E835 PolarHBondContact O-N 3.39Å; K831-V976 HydrophobicContact CB-CG2 4.33Å |
| 832 | V | 93.8 | Very high | 92.6 | Very high | 33 Ų | 33 | 33.9 Ų | 33.9 | 20% | 0.2 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.4 | -32.2 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | F828 E835 Q836 A909 | F828-V832 HydrophobicContact CD1-CG2 4.06Å; F828-V832 HydrophobicContact CE1-CG2 3.67Å; F828-V832 HydrophobicContact CE2-CG2 4.25Å; F828-V832 HydrophobicContact CZ-CG2 3.78Å; F828-V832 WeakPolarHBondContact O-CB 3.37Å; F828-V832 WeakPolarHBondContact O-CG2 3.49Å; F828-V832 PolarHBondContact O-N 3.11Å; V832-E835 PolarHBondContact O-N 2.85Å; V832-Q836 HydrophobicContact CG1-CG 4.35Å; V832-Q836 WeakPolarHBondContact O-CB 3.48Å; V832-Q836 VanDerWaalsContact O-CG 3.29Å; V832-Q836 WeakPolarHBondContact O-CG 3.28Å; V832-Q836 PolarHBondContact O-N 3.47Å; V832-A909 HydrophobicContact CB-CB 4.36Å; V832-A909 HydrophobicContact CG1-CB 4.15Å |
| 833 | G | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D829 L830 K831 Q836 L837 | D829-G833 WeakPolarHBondContact O-CA 3.29Å; D829-G833 PolarHBondContact O-N 3.4Å; L830-G833 PolarHBondContact O-N 3.38Å; K831-G833 VanDerWaalsContact C-N 3.26Å; K831-G833 PolarHBondContact O-N 2.92Å; G833-Q836 PolarHBondContact O-N 2.9Å; G833-L837 PolarHBondContact O-N 3.24Å; G833-L837 VanDerWaalsContact O-N 3.16Å |
| 834 | M | 93.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.034 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 171.8 | -66.5 | -177.4 | -73.7 | 0 | 0 | 111 | L830 K831 Q836 L837 V838 R979 F980 F983 | L830-M834 HydrophobicContact CG-CE 4.37Å; L830-M834 WeakPolarHBondContact O-CG 3.33Å; L830-M834 PolarHBondContact O-N 3.39Å; K831-M834 PolarHBondContact O-N 2.9Å; M834-Q836 VanDerWaalsContact C-N 3.32Å; M834-Q836 PolarHBondContact O-N 3.3Å; M834-L837 PolarHBondContact O-N 3.06Å; M834-V838 WeakPolarHBondContact O-CB 3.44Å; M834-V838 VanDerWaalsContact O-CG2 3.3Å; M834-V838 WeakPolarHBondContact O-CG2 3.25Å; M834-V838 PolarHBondContact O-N 2.88Å; M834-R979 HydrophobicContact CE-CB 4.19Å; M834-R979 HydrophobicContact CE-CG 3.94Å; M834-F980 HydrophobicContact CE-CB 4.42Å; M834-F980 WeakPolarHBondContact SD-CA 3.41Å; M834-F980 HydrophobicContact SD-CB 3.84Å; M834-F980 HydrophobicContact SD-CD2 3.95Å; M834-F980 HydrophobicContact SD-CG 4.4Å; M834-F983 HydrophobicContact CB-CD1 4.2Å; M834-F983 HydrophobicContact CB-CE1 4.44Å; M834-F983 HydrophobicContact CB-CG 4.3Å; M834-F983 HydrophobicContact CG-CB 4.44Å; M834-F983 HydrophobicContact CG-CD1 3.63Å; M834-F983 HydrophobicContact CG-CE1 4.05Å; M834-F983 HydrophobicContact CG-CG 4.07Å; M834-F983 HydrophobicContact SD-CB 3.78Å; M834-F983 HydrophobicContact SD-CD1 3.93Å; M834-F983 HydrophobicContact SD-CG 4.07Å |
| 835 | E | 91.4 | Very high | 92.1 | Very high | 51 Ų | 51 | 34.6 Ų | 34.6 | 24% | 0.238 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -38.7 | 176.7 | -73 | 160.9 | -153.1 | 0 | 0 | 112.3 | K831 V832 V838 Q839 R979 | K831-E835 VanDerWaalsContact CE-OE1 3.31Å; K831-E835 WeakPolarHBondContact CE-OE1 3.25Å; K831-E835 PolarHBondContact O-N 3.39Å; V832-E835 PolarHBondContact O-N 2.85Å; E835-V838 CarbonylContact O-C 3.57Å; E835-V838 PolarHBondContact O-N 2.94Å; E835-Q839 WeakPolarHBondContact O-CB 3.32Å; E835-Q839 VanDerWaalsContact O-CG 3.31Å; E835-Q839 WeakPolarHBondContact O-CG 3.47Å; E835-Q839 PolarHBondContact O-N 3.27Å; E835-R979 IonicContact OE1-CZ 3.62Å; E835-R979 IonicContact OE1-NE 2.74Å; E835-R979 IonicContact OE1-NH2 3.75Å; E835-R979 PolarHBondContact OE1-NH2 2.94Å |
| 836 | Q | 93.4 | Very high | 92 | Very high | 47 Ų | 47 | 30.1 Ų | 30.1 | 22% | 0.22 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.1 | -50.7 | 172.9 | -79.4 | 170.1 | 0.7 | 0 | 0 | 111.2 | V832 G833 M834 V838 Q839 N840 | V832-Q836 HydrophobicContact CG1-CG 4.35Å; V832-Q836 WeakPolarHBondContact O-CB 3.48Å; V832-Q836 VanDerWaalsContact O-CG 3.29Å; V832-Q836 WeakPolarHBondContact O-CG 3.28Å; V832-Q836 PolarHBondContact O-N 3.47Å; G833-Q836 PolarHBondContact O-N 2.9Å; M834-Q836 VanDerWaalsContact C-N 3.32Å; M834-Q836 PolarHBondContact O-N 3.3Å; Q836-V838 PolarHBondContact O-N 3.46Å; Q836-Q839 PolarHBondContact O-N 3.04Å; Q836-N840 WeakPolarHBondContact O-CB 3.41Å; Q836-N840 PolarHBondContact O-N 3.47Å |
| 837 | L | 91 | Very high | 91.8 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.6 | -65.9 | 173.6 | 0 | 0 | 0 | 112.6 | G833 M834 Q839 N840 F843 I907 L910 F983 F1002 L1006 | G833-L837 PolarHBondContact O-N 3.24Å; G833-L837 VanDerWaalsContact O-N 3.16Å; M834-L837 PolarHBondContact O-N 3.06Å; L837-Q839 PolarHBondContact O-N 3.21Å; L837-N840 PolarHBondContact O-N 2.84Å; L837-F843 HydrophobicContact CB-CD1 4.41Å; L837-F843 HydrophobicContact CB-CE1 4.4Å; L837-F843 HydrophobicContact CD2-CD1 3.85Å; L837-F843 HydrophobicContact CD2-CD2 4.39Å; L837-F843 HydrophobicContact CD2-CE1 3.82Å; L837-F843 HydrophobicContact CD2-CE2 4.37Å; L837-F843 HydrophobicContact CD2-CG 4.15Å; L837-F843 HydrophobicContact CD2-CZ 4.09Å; L837-I907 HydrophobicContact CD2-CG2 3.89Å; L837-L910 HydrophobicContact CD1-CD1 3.44Å; L837-L910 VanDerWaalsContact CD1-CD1 3.44Å; L837-L910 HydrophobicContact CD2-CD1 3.93Å; L837-L910 HydrophobicContact CG-CD1 3.53Å; L837-F983 HydrophobicContact CB-CZ 3.91Å; L837-F983 HydrophobicContact CD1-CE1 3.77Å; L837-F983 HydrophobicContact CD1-CZ 3.55Å; L837-F983 HydrophobicContact CG-CZ 4.41Å; L837-F1002 HydrophobicContact CD1-CE1 4.26Å; L837-F1002 HydrophobicContact CD1-CZ 4.35Å; L837-L1006 HydrophobicContact CD1-CD1 3.63Å; L837-L1006 HydrophobicContact CD2-CD1 4.31Å |
| 838 | V | 88.8 | Confident | 91.6 | Very high | 56 Ų | 56 | 33.8 Ų | 33.8 | 34% | 0.339 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.8 | -17.3 | 180 | 175.4 | 0 | 0 | 0 | 0 | 112.1 | M834 E835 Q836 R844 F983 Y986 | M834-V838 WeakPolarHBondContact O-CB 3.44Å; M834-V838 VanDerWaalsContact O-CG2 3.3Å; M834-V838 WeakPolarHBondContact O-CG2 3.25Å; M834-V838 PolarHBondContact O-N 2.88Å; E835-V838 CarbonylContact O-C 3.57Å; E835-V838 PolarHBondContact O-N 2.94Å; Q836-V838 PolarHBondContact O-N 3.46Å; V838-R844 PolarHBondContact O-NH1 3.24Å; V838-R844 PolarHBondContact O-NH2 3.09Å; V838-F983 HydrophobicContact CG2-CD2 3.81Å; V838-F983 HydrophobicContact CG2-CE2 3.45Å; V838-F983 VanDerWaalsContact CG2-CE2 3.45Å; V838-F983 HydrophobicContact CG2-CZ 4.45Å; V838-Y986 HydrophobicContact CG2-CE1 4.16Å |
| 839 | Q | 88.6 | Confident | 91.3 | Very high | 152 Ų | 152 | 32.1 Ų | 32.1 | 71% | 0.71 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -103.6 | -20.5 | 173.9 | -66 | 176.3 | 31.7 | 0 | 0 | 113.4 | E835 Q836 L837 A841 | E835-Q839 WeakPolarHBondContact O-CB 3.32Å; E835-Q839 VanDerWaalsContact O-CG 3.31Å; E835-Q839 WeakPolarHBondContact O-CG 3.47Å; E835-Q839 PolarHBondContact O-N 3.27Å; Q836-Q839 PolarHBondContact O-N 3.04Å; L837-Q839 PolarHBondContact O-N 3.21Å; Q839-A841 PolarHBondContact O-N 2.96Å |
| 840 | N | 90.4 | Very high | 91.1 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 5% | 0.048 | 17% | 0.169 | C | C | . | . | trans | -65.5 | 125.8 | -175.7 | -169.8 | -40.6 | 0 | 0 | 0 | 112.5 | Q836 L837 T842 F843 R844 E906 | Q836-N840 WeakPolarHBondContact O-CB 3.41Å; Q836-N840 PolarHBondContact O-N 3.47Å; L837-N840 PolarHBondContact O-N 2.84Å; N840-T842 VanDerWaalsContact OD1-CA 3.29Å; N840-T842 WeakPolarHBondContact OD1-CA 3.43Å; N840-T842 WeakPolarHBondContact OD1-CB 3.36Å; N840-T842 PolarHBondContact OD1-N 3.46Å; N840-F843 HydrophobicContact CB-CB 3.95Å; N840-F843 PolarHBondContact OD1-N 3.32Å; N840-R844 PolarHBondContact O-NH1 3.05Å; N840-R844 VanDerWaalsContact O-NH1 3.14Å; N840-E906 WeakPolarHBondContact ND2-CB 3.38Å; N840-E906 PolarHBondContact ND2-OE2 2.7Å; N840-E906 PolarHBondContact OD1-OE2 3.35Å | ||
| 841 | A | 89.2 | Confident | 90.7 | Very high | 40 Ų | 40 | 33.3 Ų | 33.3 | 33% | 0.331 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -90.4 | -28.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q839 C845 | Q839-A841 PolarHBondContact O-N 2.96Å; A841-C845 WeakPolarHBondContact O-CB 3.44Å; A841-C845 PolarHBondContact O-N 3.48Å; A841-C845 VanDerWaalsContact O-N 3.11Å |
| 842 | T | 89.6 | Confident | 90.4 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -52.7 | 171.5 | -52 | 0 | 0 | 0 | 0 | 110.2 | N840 R844 C845 I846 S901 L903 E906 Y1013 | N840-T842 VanDerWaalsContact OD1-CA 3.29Å; N840-T842 WeakPolarHBondContact OD1-CA 3.43Å; N840-T842 WeakPolarHBondContact OD1-CB 3.36Å; N840-T842 PolarHBondContact OD1-N 3.46Å; T842-R844 PolarHBondContact O-N 3.09Å; T842-C845 WeakPolarHBondContact O-CA 3.26Å; T842-C845 VanDerWaalsContact O-CB 3.32Å; T842-C845 WeakPolarHBondContact O-CB 3.24Å; T842-C845 PolarHBondContact O-N 2.93Å; T842-I846 HydrophobicContact CG2-CD1 3.9Å; T842-I846 WeakPolarHBondContact O-CG1 3.32Å; T842-I846 PolarHBondContact O-N 3.48Å; T842-S901 PolarHBondContact OG1-N 3.37Å; T842-L903 HydrophobicContact CG2-CB 4.43Å; T842-E906 WeakPolarHBondContact CB-OE2 3.37Å; T842-E906 PolarHBondContact OG1-OE1 3.33Å; T842-E906 PolarHBondContact OG1-OE2 3.21Å; T842-Y1013 HydrophobicContact CG2-CE1 4.48Å |
| 843 | F | 91.5 | Very high | 90 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.6 | -48.9 | 179.1 | -174.1 | -121.1 | 0 | 0 | 0 | 112.1 | L837 N840 C845 I846 L847 L867 L903 L1006 | L837-F843 HydrophobicContact CB-CD1 4.41Å; L837-F843 HydrophobicContact CB-CE1 4.4Å; L837-F843 HydrophobicContact CD2-CD1 3.85Å; L837-F843 HydrophobicContact CD2-CD2 4.39Å; L837-F843 HydrophobicContact CD2-CE1 3.82Å; L837-F843 HydrophobicContact CD2-CE2 4.37Å; L837-F843 HydrophobicContact CD2-CG 4.15Å; L837-F843 HydrophobicContact CD2-CZ 4.09Å; N840-F843 HydrophobicContact CB-CB 3.95Å; N840-F843 PolarHBondContact OD1-N 3.32Å; F843-C845 VanDerWaalsContact C-N 3.31Å; F843-C845 PolarHBondContact O-N 2.77Å; F843-I846 PolarHBondContact O-N 3.34Å; F843-L847 HydrophobicContact CD1-CD1 4.08Å; F843-L847 HydrophobicContact CE1-CD1 3.57Å; F843-L847 HydrophobicContact CE1-CG 4.32Å; F843-L847 HydrophobicContact CE2-CD1 4.28Å; F843-L847 HydrophobicContact CE2-CD2 4.24Å; F843-L847 HydrophobicContact CE2-CG 4.21Å; F843-L847 HydrophobicContact CZ-CD1 3.69Å; F843-L847 HydrophobicContact CZ-CD2 4.23Å; F843-L847 HydrophobicContact CZ-CG 4.12Å; F843-L847 WeakPolarHBondContact O-CG 3.33Å; F843-L847 PolarHBondContact O-N 2.84Å; F843-L867 HydrophobicContact CZ-CD2 4Å; F843-L903 HydrophobicContact CB-CD1 3.75Å; F843-L903 HydrophobicContact CD2-CD1 3.97Å; F843-L903 HydrophobicContact CD2-CD2 4.02Å; F843-L903 HydrophobicContact CG-CD1 4.24Å; F843-L1006 HydrophobicContact CE2-CD2 3.7Å; F843-L1006 HydrophobicContact CZ-CD2 3.81Å |
| 844 | R | 89.9 | Confident | 89.7 | Confident | 103 Ų | 103 | 36.5 Ų | 36.5 | 39% | 0.389 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.7 | -41.8 | 173.6 | -77.9 | -174.8 | 174 | 86.9 | -4.4 | 113 | V838 N840 T842 A848 Y986 | V838-R844 PolarHBondContact O-NH1 3.24Å; V838-R844 PolarHBondContact O-NH2 3.09Å; N840-R844 PolarHBondContact O-NH1 3.05Å; N840-R844 VanDerWaalsContact O-NH1 3.14Å; T842-R844 PolarHBondContact O-N 3.09Å; R844-A848 VanDerWaalsContact O-CB 3.25Å; R844-A848 WeakPolarHBondContact O-CB 3.28Å; R844-A848 PolarHBondContact O-N 2.98Å; R844-Y986 PolarHBondContact NH2-OH 2.93Å |
| 845 | C | 89.8 | Confident | 89.4 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 10% | 0.095 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 177.4 | -160.8 | 0 | 0 | 0 | 0 | 110.9 | A841 T842 F843 A848 T849 V893 | A841-C845 WeakPolarHBondContact O-CB 3.44Å; A841-C845 PolarHBondContact O-N 3.48Å; A841-C845 VanDerWaalsContact O-N 3.11Å; T842-C845 WeakPolarHBondContact O-CA 3.26Å; T842-C845 VanDerWaalsContact O-CB 3.32Å; T842-C845 WeakPolarHBondContact O-CB 3.24Å; T842-C845 PolarHBondContact O-N 2.93Å; F843-C845 VanDerWaalsContact C-N 3.31Å; F843-C845 PolarHBondContact O-N 2.77Å; C845-A848 PolarHBondContact O-N 2.8Å; C845-T849 WeakPolarHBondContact O-CB 3.31Å; C845-T849 PolarHBondContact O-N 2.86Å; C845-T849 PolarHBondContact O-OG1 3.01Å; C845-V893 HydrophobicContact CB-CG1 4.44Å |
| 846 | I | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.8 | -50.3 | 177.3 | -64.6 | 162.3 | 0 | 0 | 0 | 110.9 | T842 F843 A848 T849 L850 L889 V893 L903 F1009 Y1013 | T842-I846 HydrophobicContact CG2-CD1 3.9Å; T842-I846 WeakPolarHBondContact O-CG1 3.32Å; T842-I846 PolarHBondContact O-N 3.48Å; F843-I846 PolarHBondContact O-N 3.34Å; I846-A848 PolarHBondContact O-N 2.9Å; I846-T849 PolarHBondContact O-N 3.26Å; I846-L850 VanDerWaalsContact O-CB 3.29Å; I846-L850 WeakPolarHBondContact O-CB 3.45Å; I846-L850 PolarHBondContact O-N 3.08Å; I846-L889 HydrophobicContact CG2-CD2 3.9Å; I846-L889 HydrophobicContact CG2-CG 4.38Å; I846-V893 HydrophobicContact CG1-CG1 4.27Å; I846-V893 HydrophobicContact CG1-CG2 4.1Å; I846-L903 HydrophobicContact CD1-CB 4.26Å; I846-L903 HydrophobicContact CD1-CD2 3.95Å; I846-F1009 HydrophobicContact CG2-CE1 3.9Å; I846-F1009 HydrophobicContact CG2-CZ 3.69Å; I846-Y1013 HydrophobicContact CD1-CD1 3.98Å; I846-Y1013 HydrophobicContact CD1-CD2 3.88Å; I846-Y1013 HydrophobicContact CD1-CE1 3.68Å; I846-Y1013 HydrophobicContact CD1-CE2 3.57Å; I846-Y1013 HydrophobicContact CD1-CG 4.1Å; I846-Y1013 VanDerWaalsContact CD1-CZ 3.47Å; I846-Y1013 HydrophobicContact CG1-CD2 4.31Å; I846-Y1013 HydrophobicContact CG1-CE2 3.71Å |
| 847 | L | 90.6 | Very high | 88.8 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 17% | 0.168 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 178.4 | -66.9 | -176.9 | 0 | 0 | 0 | 112.1 | F843 L850 L851 F865 L870 | F843-L847 HydrophobicContact CD1-CD1 4.08Å; F843-L847 HydrophobicContact CE1-CD1 3.57Å; F843-L847 HydrophobicContact CE1-CG 4.32Å; F843-L847 HydrophobicContact CE2-CD1 4.28Å; F843-L847 HydrophobicContact CE2-CD2 4.24Å; F843-L847 HydrophobicContact CE2-CG 4.21Å; F843-L847 HydrophobicContact CZ-CD1 3.69Å; F843-L847 HydrophobicContact CZ-CD2 4.23Å; F843-L847 HydrophobicContact CZ-CG 4.12Å; F843-L847 WeakPolarHBondContact O-CG 3.33Å; F843-L847 PolarHBondContact O-N 2.84Å; L847-L850 PolarHBondContact O-N 2.95Å; L847-L851 WeakPolarHBondContact O-CB 3.42Å; L847-L851 PolarHBondContact O-N 3.41Å; L847-F865 HydrophobicContact CD2-CE2 4.17Å; L847-F865 HydrophobicContact CD2-CZ 3.64Å; L847-L870 HydrophobicContact CD2-CD2 4.13Å |
| 848 | A | 89.4 | Confident | 88.5 | Confident | 59 Ų | 59 | 52 Ų | 52 | 49% | 0.488 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R844 C845 I846 A852 | R844-A848 VanDerWaalsContact O-CB 3.25Å; R844-A848 WeakPolarHBondContact O-CB 3.28Å; R844-A848 PolarHBondContact O-N 2.98Å; C845-A848 PolarHBondContact O-N 2.8Å; I846-A848 PolarHBondContact O-N 2.9Å; A848-A852 WeakPolarHBondContact O-CB 3.22Å; A848-A852 PolarHBondContact O-N 3.44Å |
| 849 | T | 88.4 | Confident | 88.3 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 175.1 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | C845 I846 A852 V853 L889 L892 V893 | C845-T849 WeakPolarHBondContact O-CB 3.31Å; C845-T849 PolarHBondContact O-N 2.86Å; C845-T849 PolarHBondContact O-OG1 3.01Å; I846-T849 PolarHBondContact O-N 3.26Å; T849-A852 PolarHBondContact O-N 3.09Å; T849-V853 HydrophobicContact CG2-CG2 4.48Å; T849-V853 WeakPolarHBondContact O-CG2 3.5Å; T849-V853 PolarHBondContact O-N 2.69Å; T849-L889 HydrophobicContact CG2-CD1 3.62Å; T849-L892 HydrophobicContact CG2-CB 3.64Å; T849-L892 HydrophobicContact CG2-CD1 4.08Å; T849-V893 HydrophobicContact CG2-CG2 4.29Å |
| 850 | L | 90.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 177 | -178.5 | 54.8 | 0 | 0 | 0 | 112.1 | I846 L847 V853 G854 F865 L870 V873 L885 L889 | I846-L850 VanDerWaalsContact O-CB 3.29Å; I846-L850 WeakPolarHBondContact O-CB 3.45Å; I846-L850 PolarHBondContact O-N 3.08Å; L847-L850 PolarHBondContact O-N 2.95Å; L850-V853 PolarHBondContact O-N 2.61Å; L850-G854 PolarHBondContact O-N 3.43Å; L850-F865 HydrophobicContact CB-CE1 4.26Å; L850-F865 HydrophobicContact CB-CZ 4.16Å; L850-F865 HydrophobicContact CD2-CE1 4.33Å; L850-F865 HydrophobicContact CD2-CE2 3.95Å; L850-F865 HydrophobicContact CD2-CZ 3.58Å; L850-F865 HydrophobicContact CG-CE1 4.09Å; L850-F865 HydrophobicContact CG-CZ 3.85Å; L850-L870 HydrophobicContact CD2-CD2 3.8Å; L850-V873 HydrophobicContact CD1-CG1 4.27Å; L850-V873 HydrophobicContact CD1-CG2 4.23Å; L850-V873 HydrophobicContact CD2-CG1 4.42Å; L850-V873 HydrophobicContact CD2-CG2 3.61Å; L850-L885 HydrophobicContact CD1-CD2 4.09Å; L850-L889 HydrophobicContact CB-CD1 3.92Å; L850-L889 HydrophobicContact CB-CD2 4.07Å; L850-L889 HydrophobicContact CD1-CD2 4.31Å; L850-L889 HydrophobicContact CD2-CD2 4.28Å; L850-L889 HydrophobicContact CG-CD2 4.46Å |
| 851 | L | 87.6 | Confident | 87.6 | Confident | 43 Ų | 43 | 55.6 Ų | 55.6 | 23% | 0.225 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 173.8 | 179.9 | 63.7 | 0 | 0 | 0 | 111.6 | L847 G854 N855 F865 | L847-L851 WeakPolarHBondContact O-CB 3.42Å; L847-L851 PolarHBondContact O-N 3.41Å; L851-G854 PolarHBondContact O-N 3.02Å; L851-N855 WeakPolarHBondContact O-CB 3.32Å; L851-N855 PolarHBondContact O-N 3.2Å; L851-F865 HydrophobicContact CB-CD1 4.19Å; L851-F865 HydrophobicContact CB-CE1 4.02Å; L851-F865 HydrophobicContact CD1-CD1 4.05Å |
| 852 | A | 87.1 | Confident | 87.3 | Confident | 61 Ų | 61 | 56.4 Ų | 56.4 | 50% | 0.504 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A848 T849 F856 | A848-A852 WeakPolarHBondContact O-CB 3.22Å; A848-A852 PolarHBondContact O-N 3.44Å; T849-A852 PolarHBondContact O-N 3.09Å; A852-F856 WeakPolarHBondContact O-CB 3.35Å; A852-F856 PolarHBondContact O-N 3.01Å; A852-F856 VanDerWaalsContact O-N 3.1Å |
| 853 | V | 86.3 | Confident | 86.8 | Confident | 33 Ų | 33 | 62 Ų | 62 | 20% | 0.2 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 176.7 | 175 | 0 | 0 | 0 | 0 | 111.2 | T849 L850 F856 L857 L885 L892 | T849-V853 HydrophobicContact CG2-CG2 4.48Å; T849-V853 WeakPolarHBondContact O-CG2 3.5Å; T849-V853 PolarHBondContact O-N 2.69Å; L850-V853 PolarHBondContact O-N 2.61Å; V853-F856 PolarHBondContact O-N 3.4Å; V853-L857 HydrophobicContact CG1-CD1 3.74Å; V853-L857 HydrophobicContact CG1-CG 4.18Å; V853-L857 WeakPolarHBondContact O-CB 3.22Å; V853-L857 VanDerWaalsContact O-CG 3.32Å; V853-L857 WeakPolarHBondContact O-CG 3.44Å; V853-L857 PolarHBondContact O-N 3.33Å; V853-L885 HydrophobicContact CG1-CD1 3.72Å; V853-L892 HydrophobicContact CG2-CD1 3.76Å |
| 854 | G | 86.1 | Confident | 86.4 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L850 L851 F856 L857 N858 | L850-G854 PolarHBondContact O-N 3.43Å; L851-G854 PolarHBondContact O-N 3.02Å; G854-F856 VanDerWaalsContact C-N 3.34Å; G854-F856 PolarHBondContact O-N 3.23Å; G854-L857 PolarHBondContact O-N 3.22Å; G854-N858 VanDerWaalsContact O-CB 3.26Å; G854-N858 WeakPolarHBondContact O-CB 3.31Å; G854-N858 VanDerWaalsContact O-CG 3.27Å; G854-N858 PolarHBondContact O-N 2.58Å; G854-N858 PolarHBondContact O-ND2 2.94Å |
| 855 | N | 87.3 | Confident | 86.2 | Confident | 25 Ų | 25 | 61 Ų | 61 | 13% | 0.134 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 174.4 | -83.3 | -26.8 | 0 | 0 | 0 | 112.5 | L851 G859 S860 S862 | L851-N855 WeakPolarHBondContact O-CB 3.32Å; L851-N855 PolarHBondContact O-N 3.2Å; N855-G859 WeakPolarHBondContact O-CA 3.14Å; N855-G859 PolarHBondContact O-N 3.1Å; N855-S860 VanDerWaalsContact CB-O 3.29Å; N855-S860 WeakPolarHBondContact CB-O 3.33Å; N855-S860 PolarHBondContact O-N 2.78Å; N855-S860 VanDerWaalsContact O-N 3.07Å; N855-S860 PolarHBondContact OD1-O 3.22Å; N855-S860 PolarHBondContact OD1-OG 3.22Å; N855-S862 PolarHBondContact ND2-O 2.92Å; N855-S862 WeakPolarHBondContact OD1-CB 3.26Å; N855-S862 PolarHBondContact OD1-N 3.33Å |
| 856 | F | 87.4 | Confident | 85.9 | Confident | 174 Ų | 174 | 65.2 Ų | 65.2 | 76% | 0.763 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.1 | -47.4 | 175.4 | 177.4 | -98.9 | 0 | 0 | 0 | 112.6 | A852 V853 G854 | A852-F856 WeakPolarHBondContact O-CB 3.35Å; A852-F856 PolarHBondContact O-N 3.01Å; A852-F856 VanDerWaalsContact O-N 3.1Å; V853-F856 PolarHBondContact O-N 3.4Å; G854-F856 VanDerWaalsContact C-N 3.34Å; G854-F856 PolarHBondContact O-N 3.23Å |
| 857 | L | 84.8 | Confident | 85.7 | Confident | 109 Ų | 109 | 65.6 Ų | 65.6 | 57% | 0.571 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -69.2 | -36.4 | -178.4 | -70.1 | 175.3 | 0 | 0 | 0 | 113 | V853 G854 L885 | V853-L857 HydrophobicContact CG1-CD1 3.74Å; V853-L857 HydrophobicContact CG1-CG 4.18Å; V853-L857 WeakPolarHBondContact O-CB 3.22Å; V853-L857 VanDerWaalsContact O-CG 3.32Å; V853-L857 WeakPolarHBondContact O-CG 3.44Å; V853-L857 PolarHBondContact O-N 3.33Å; G854-L857 PolarHBondContact O-N 3.22Å; L857-L885 HydrophobicContact CD1-CD1 4.24Å |
| 858 | N | 85.1 | Confident | 85.5 | Confident | 128 Ų | 128 | 66.4 Ų | 66.4 | 68% | 0.684 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -87.3 | -8.1 | -179 | -64.5 | -23.7 | 0 | 0 | 0 | 113.5 | G854 S860 | G854-N858 VanDerWaalsContact O-CB 3.26Å; G854-N858 WeakPolarHBondContact O-CB 3.31Å; G854-N858 VanDerWaalsContact O-CG 3.27Å; G854-N858 PolarHBondContact O-N 2.58Å; G854-N858 PolarHBondContact O-ND2 2.94Å; N858-S860 PolarHBondContact O-N 3.1Å |
| 859 | G | 82.7 | Confident | 85.4 | Confident | 71 Ų | 71 | 67.8 Ų | 67.8 | 73% | 0.732 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 19.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N855 | N855-G859 WeakPolarHBondContact O-CA 3.14Å; N855-G859 PolarHBondContact O-N 3.1Å |
| 860 | S | 85.1 | Confident | 85.5 | Confident | 39 Ų | 39 | 66.9 Ų | 66.9 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | trans | -98.8 | 167.8 | -175.2 | 61.7 | 0 | 0 | 0 | 0 | 112.3 | N855 N858 | N855-S860 VanDerWaalsContact CB-O 3.29Å; N855-S860 WeakPolarHBondContact CB-O 3.33Å; N855-S860 PolarHBondContact O-N 2.78Å; N855-S860 VanDerWaalsContact O-N 3.07Å; N855-S860 PolarHBondContact OD1-O 3.22Å; N855-S860 PolarHBondContact OD1-OG 3.22Å; N858-S860 PolarHBondContact O-N 3.1Å | ||
| 861 | Q | 80.7 | Confident | 85.5 | Confident | 182 Ų | 182 | 72.5 Ų | 72.5 | 85% | 0.85 | 42% | 0.417 | S | S | * | . | trans | -126.4 | 54.2 | 171.7 | -64.6 | -67.8 | -83.4 | 0 | 0 | 109.3 | ||||
| 862 | S | 82.4 | Confident | 85.6 | Confident | 58 Ų | 58 | 75.4 Ų | 75.4 | 41% | 0.406 | 43% | 0.428 | S | S | . | . | trans | -70.9 | 142.1 | 176.2 | -166.3 | 0 | 0 | 0 | 0 | 110.5 | N855 G864 | N855-S862 PolarHBondContact ND2-O 2.92Å; N855-S862 WeakPolarHBondContact OD1-CB 3.26Å; N855-S862 PolarHBondContact OD1-N 3.33Å; S862-G864 VanDerWaalsContact C-N 3.33Å; S862-G864 WeakPolarHBondContact CB-O 3.33Å; S862-G864 PolarHBondContact OG-N 2.68Å; S862-G864 PolarHBondContact OG-O 3.38Å | ||
| 863 | S | 79.6 | Confident | 85.8 | Confident | 123 Ų | 123 | 72.5 Ų | 72.5 | 86% | 0.86 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -82 | -11.1 | 173.1 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 864 | G | 81.6 | Confident | 85.9 | Confident | 33 Ų | 33 | 72.1 Ų | 72.1 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | trans | -169 | -176.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | S862 | S862-G864 VanDerWaalsContact C-N 3.33Å; S862-G864 WeakPolarHBondContact CB-O 3.33Å; S862-G864 PolarHBondContact OG-N 2.68Å; S862-G864 PolarHBondContact OG-O 3.38Å | ||
| 865 | F | 86.3 | Confident | 86 | Confident | 55 Ų | 55 | 77.1 Ų | 77.1 | 24% | 0.241 | 42% | 0.421 | C | S | . | . | trans | -150.9 | 156.3 | 171.6 | 62.3 | -92.3 | 0 | 0 | 0 | 109.5 | L847 L850 L851 L870 | L847-F865 HydrophobicContact CD2-CE2 4.17Å; L847-F865 HydrophobicContact CD2-CZ 3.64Å; L850-F865 HydrophobicContact CB-CE1 4.26Å; L850-F865 HydrophobicContact CB-CZ 4.16Å; L850-F865 HydrophobicContact CD2-CE1 4.33Å; L850-F865 HydrophobicContact CD2-CE2 3.95Å; L850-F865 HydrophobicContact CD2-CZ 3.58Å; L850-F865 HydrophobicContact CG-CE1 4.09Å; L850-F865 HydrophobicContact CG-CZ 3.85Å; L851-F865 HydrophobicContact CB-CD1 4.19Å; L851-F865 HydrophobicContact CB-CE1 4.02Å; L851-F865 HydrophobicContact CD1-CD1 4.05Å; F865-L870 HydrophobicContact CE2-CD2 4.09Å; F865-L870 HydrophobicContact CZ-CD2 4.46Å | ||
| 866 | E | 84.1 | Confident | 86.1 | Confident | 101 Ų | 101 | 78.9 Ų | 78.9 | 47% | 0.472 | 43% | 0.432 | S | S | . | . | trans | -73.8 | 135.8 | 179.8 | -159.7 | -161.5 | 126.1 | 0 | 0 | 111.3 | S868 Y869 Y989 | E866-S868 PolarHBondContact O-N 3.26Å; E866-S868 VanDerWaalsContact O-N 3.12Å; E866-S868 VanDerWaalsContact OE1-CB 3.24Å; E866-S868 WeakPolarHBondContact OE1-CB 3.47Å; E866-S868 PolarHBondContact OE1-OG 3.22Å; E866-Y869 WeakPolarHBondContact O-CB 3.47Å; E866-Y869 PolarHBondContact O-N 3.43Å; E866-Y989 HydrophobicContact CG-CD1 4.17Å; E866-Y989 HydrophobicContact CG-CE1 3.36Å | ||
| 867 | L | 86.5 | Confident | 86.1 | Confident | 9 Ų | 9 | 76.7 Ų | 76.7 | 5% | 0.047 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -67.3 | -15.2 | -173.6 | -81.4 | 68.9 | 0 | 0 | 0 | 113.6 | F843 Y869 L870 L987 Y989 F1002 L1006 | F843-L867 HydrophobicContact CZ-CD2 4Å; L867-Y869 PolarHBondContact O-N 3Å; L867-L870 HydrophobicContact CB-CD1 4.19Å; L867-L870 HydrophobicContact CG-CD1 4.22Å; L867-L870 VanDerWaalsContact O-CB 3.28Å; L867-L870 WeakPolarHBondContact O-CB 3.21Å; L867-L870 VanDerWaalsContact O-CG 3.24Å; L867-L870 WeakPolarHBondContact O-CG 3.4Å; L867-L870 PolarHBondContact O-N 3.16Å; L867-L870 VanDerWaalsContact O-N 3.1Å; L867-L987 HydrophobicContact CD1-CB 4.44Å; L867-L987 HydrophobicContact CD1-CD2 4.44Å; L867-L987 HydrophobicContact CD2-CD1 3.97Å; L867-L987 HydrophobicContact CD2-CD2 4.3Å; L867-Y989 HydrophobicContact CD1-CE2 4.34Å; L867-Y989 PolarHBondContact N-OH 2.87Å; L867-F1002 HydrophobicContact CD2-CE2 4.03Å; L867-F1002 HydrophobicContact CD2-CZ 4.29Å; L867-L1006 HydrophobicContact CD2-CD2 4.33Å |
| 868 | S | 86.4 | Confident | 86.1 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 34% | 0.336 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -60.7 | -22.6 | 168.8 | 61 | 0 | 0 | 0 | 0 | 113.1 | E866 L870 | E866-S868 PolarHBondContact O-N 3.26Å; E866-S868 VanDerWaalsContact O-N 3.12Å; E866-S868 VanDerWaalsContact OE1-CB 3.24Å; E866-S868 WeakPolarHBondContact OE1-CB 3.47Å; E866-S868 PolarHBondContact OE1-OG 3.22Å; S868-L870 PolarHBondContact O-N 3.06Å |
| 869 | Y | 88.3 | Confident | 85.9 | Confident | 89 Ų | 89 | 73.9 Ų | 73.9 | 35% | 0.349 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -67.1 | -19.9 | 174.5 | -172.7 | -105.1 | 0 | 0 | 0 | 113.3 | E866 L867 E871 K872 V873 | E866-Y869 WeakPolarHBondContact O-CB 3.47Å; E866-Y869 PolarHBondContact O-N 3.43Å; L867-Y869 PolarHBondContact O-N 3Å; Y869-E871 PolarHBondContact O-N 2.95Å; Y869-K872 HydrophobicContact CD2-CB 4.23Å; Y869-K872 HydrophobicContact CD2-CD 4.33Å; Y869-K872 HydrophobicContact CE2-CB 4.05Å; Y869-K872 HydrophobicContact CE2-CD 4.5Å; Y869-K872 PolarHBondContact O-N 3.15Å; Y869-V873 HydrophobicContact CD1-CG2 4.14Å; Y869-V873 HydrophobicContact CE1-CG2 4.09Å |
| 870 | L | 90.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -57.3 | -34.7 | -178.5 | -67.9 | 175.8 | 0 | 0 | 0 | 112.8 | L847 L850 F865 L867 S868 K872 V873 T1005 L1006 F1009 | L847-L870 HydrophobicContact CD2-CD2 4.13Å; L850-L870 HydrophobicContact CD2-CD2 3.8Å; F865-L870 HydrophobicContact CE2-CD2 4.09Å; F865-L870 HydrophobicContact CZ-CD2 4.46Å; L867-L870 HydrophobicContact CB-CD1 4.19Å; L867-L870 HydrophobicContact CG-CD1 4.22Å; L867-L870 VanDerWaalsContact O-CB 3.28Å; L867-L870 WeakPolarHBondContact O-CB 3.21Å; L867-L870 VanDerWaalsContact O-CG 3.24Å; L867-L870 WeakPolarHBondContact O-CG 3.4Å; L867-L870 PolarHBondContact O-N 3.16Å; L867-L870 VanDerWaalsContact O-N 3.1Å; S868-L870 PolarHBondContact O-N 3.06Å; L870-K872 PolarHBondContact O-N 3.37Å; L870-V873 WeakPolarHBondContact O-CB 3.29Å; L870-V873 WeakPolarHBondContact O-CG2 3.25Å; L870-V873 PolarHBondContact O-N 2.86Å; L870-T1005 HydrophobicContact CB-CG2 4.47Å; L870-L1006 HydrophobicContact CD1-CD2 3.75Å; L870-F1009 HydrophobicContact CB-CB 4.1Å; L870-F1009 HydrophobicContact CB-CD1 4.48Å; L870-F1009 HydrophobicContact CB-CD2 3.79Å; L870-F1009 HydrophobicContact CB-CE2 4.36Å; L870-F1009 HydrophobicContact CB-CG 3.84Å; L870-F1009 HydrophobicContact CD1-CD1 4.18Å; L870-F1009 HydrophobicContact CD1-CG 4.32Å; L870-F1009 HydrophobicContact CD2-CD1 4.33Å; L870-F1009 HydrophobicContact CD2-CD2 4.2Å; L870-F1009 HydrophobicContact CD2-CE1 4.12Å; L870-F1009 HydrophobicContact CD2-CE2 3.96Å; L870-F1009 HydrophobicContact CD2-CG 4.38Å; L870-F1009 HydrophobicContact CD2-CZ 3.93Å; L870-F1009 HydrophobicContact CG-CD2 4.49Å; L870-F1009 HydrophobicContact CG-CG 4.41Å; L870-F1009 WeakPolarHBondContact O-CD2 3.24Å |
| 871 | E | 89.9 | Confident | 85 | Confident | 121 Ų | 121 | 82.5 Ų | 82.5 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -58.6 | -27.1 | 175.1 | -169.9 | 170.1 | -167.8 | 0 | 0 | 113.1 | Y869 T1005 | Y869-E871 PolarHBondContact O-N 2.95Å; E871-T1005 HydrophobicContact CB-CG2 4.38Å |
| 872 | K | 90.3 | Very high | 85 | Confident | 104 Ų | 104 | 83.9 Ų | 83.9 | 45% | 0.452 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -95.2 | -4 | -175.4 | -58.7 | 179 | -179.9 | 167.3 | 0 | 113.4 | Y869 L870 S874 E875 V876 | Y869-K872 HydrophobicContact CD2-CB 4.23Å; Y869-K872 HydrophobicContact CD2-CD 4.33Å; Y869-K872 HydrophobicContact CE2-CB 4.05Å; Y869-K872 HydrophobicContact CE2-CD 4.5Å; Y869-K872 PolarHBondContact O-N 3.15Å; L870-K872 PolarHBondContact O-N 3.37Å; K872-S874 VanDerWaalsContact C-N 3.3Å; K872-S874 PolarHBondContact O-N 3.38Å; K872-E875 PolarHBondContact O-N 3.08Å; K872-V876 PolarHBondContact O-N 2.97Å |
| 873 | V | 90.7 | Very high | 85 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -23.3 | -175.7 | -177.9 | 0 | 0 | 0 | 0 | 112 | L850 Y869 L870 L885 L886 L889 F1009 | L850-V873 HydrophobicContact CD1-CG1 4.27Å; L850-V873 HydrophobicContact CD1-CG2 4.23Å; L850-V873 HydrophobicContact CD2-CG1 4.42Å; L850-V873 HydrophobicContact CD2-CG2 3.61Å; Y869-V873 HydrophobicContact CD1-CG2 4.14Å; Y869-V873 HydrophobicContact CE1-CG2 4.09Å; L870-V873 WeakPolarHBondContact O-CB 3.29Å; L870-V873 WeakPolarHBondContact O-CG2 3.25Å; L870-V873 PolarHBondContact O-N 2.86Å; V873-L885 HydrophobicContact CG1-CD2 4.38Å; V873-L885 HydrophobicContact CG1-CG 4.22Å; V873-L885 WeakPolarHBondContact O-CB 3.35Å; V873-L886 HydrophobicContact CG1-CB 4.09Å; V873-L886 HydrophobicContact CG1-CD1 4.21Å; V873-L886 PolarHBondContact O-N 3.3Å; V873-L889 HydrophobicContact CG1-CD2 3.94Å; V873-F1009 HydrophobicContact CB-CE2 4.24Å; V873-F1009 HydrophobicContact CG1-CE2 4.36Å; V873-F1009 HydrophobicContact CG2-CE2 4.5Å |
| 874 | S | 89.1 | Confident | 85.6 | Confident | 25 Ų | 25 | 78 Ų | 78 | 18% | 0.175 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -28 | 172.1 | 52.6 | 0 | 0 | 0 | 0 | 113.5 | K872 S884 E1012 | K872-S874 VanDerWaalsContact C-N 3.3Å; K872-S874 PolarHBondContact O-N 3.38Å; S874-S884 VanDerWaalsContact O-CB 3.25Å; S874-S884 WeakPolarHBondContact O-CB 3.37Å; S874-E1012 WeakPolarHBondContact CB-OE2 3.08Å; S874-E1012 PolarHBondContact OG-OE1 2.83Å; S874-E1012 PolarHBondContact OG-OE2 3.37Å |
| 875 | E | 87.9 | Confident | 86 | Confident | 126 Ų | 126 | 77.2 Ų | 77.2 | 59% | 0.589 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -50.5 | 177.7 | -59.5 | -171.3 | 130.2 | 0 | 0 | 112.6 | K872 K877 | K872-E875 PolarHBondContact O-N 3.08Å; E875-K877 WeakPolarHBondContact O-CD 3.48Å; E875-K877 WeakPolarHBondContact O-CE 3.39Å; E875-K877 WeakPolarHBondContact O-CG 3.32Å; E875-K877 PolarHBondContact O-N 3.26Å |
| 876 | V | 88.4 | Confident | 86.3 | Confident | 61 Ų | 61 | 74.8 Ų | 74.8 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | trans | -61.6 | 128.4 | -178.1 | 176.6 | 0 | 0 | 0 | 0 | 109.5 | K872 S884 L885 | K872-V876 PolarHBondContact O-N 2.97Å; V876-S884 CarbonylContact O-C 3.58Å; V876-S884 VanDerWaalsContact O-CA 3.23Å; V876-S884 WeakPolarHBondContact O-CA 3.43Å; V876-L885 HydrophobicContact CB-CB 4.05Å; V876-L885 HydrophobicContact CB-CD2 4.37Å; V876-L885 HydrophobicContact CG1-CB 4.08Å; V876-L885 HydrophobicContact CG1-CD2 4.28Å; V876-L885 PolarHBondContact O-N 3.38Å | ||
| 877 | K | 88.7 | Confident | 86.6 | Confident | 129 Ų | 129 | 70.9 Ų | 70.9 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | B | Isolated β-bridge | trans | -129.1 | 148 | -175.6 | -74.5 | 153.2 | -170.2 | 160.3 | 0 | 111.9 | E875 Q883 | E875-K877 WeakPolarHBondContact O-CD 3.48Å; E875-K877 WeakPolarHBondContact O-CE 3.39Å; E875-K877 WeakPolarHBondContact O-CG 3.32Å; E875-K877 PolarHBondContact O-N 3.26Å; K877-Q883 CarbonylContact C-O 3.53Å; K877-Q883 VanDerWaalsContact CA-O 3.27Å; K877-Q883 WeakPolarHBondContact CA-O 3.45Å |
| 878 | D | 84.3 | Confident | 86.7 | Confident | 38 Ų | 38 | 73 Ų | 73 | 20% | 0.203 | 35% | 0.353 | C | S | . | . | trans | -67.9 | 159.6 | 173.8 | 78.8 | 38.5 | 0 | 0 | 0 | 112.1 | V880 R881 R882 Q883 H888 | D878-V880 PolarHBondContact OD1-N 3.33Å; D878-V880 VanDerWaalsContact OD1-N 3.09Å; D878-R881 WeakPolarHBondContact OD1-CA 3.31Å; D878-R881 PolarHBondContact OD1-N 2.9Å; D878-R882 WeakPolarHBondContact O-CA 3.43Å; D878-R882 PolarHBondContact OD1-N 3.36Å; D878-Q883 PolarHBondContact N-O 3.34Å; D878-H888 IonicContact OD2-CD2 3.93Å; D878-H888 IonicContact OD2-CE1 3.41Å; D878-H888 PolarHBondContact OD2-CE1 3.34Å; D878-H888 IonicContact OD2-NE2 2.74Å; D878-H888 PolarHBondContact OD2-NE2 3.19Å | ||
| 879 | T | 80.7 | Confident | 86.9 | Confident | 140 Ų | 140 | 70.9 Ų | 70.9 | 86% | 0.859 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -14.9 | -177.7 | 51.1 | 0 | 0 | 0 | 0 | 114 | ||
| 880 | V | 78.1 | Confident | 87.1 | Confident | 127 Ų | 127 | 66.6 Ų | 66.6 | 77% | 0.77 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -39.6 | -166.1 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | D878 | D878-V880 PolarHBondContact OD1-N 3.33Å; D878-V880 VanDerWaalsContact OD1-N 3.09Å |
| 881 | R | 71.6 | Confident | 87 | Confident | 163 Ų | 163 | 67.4 Ų | 67.4 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.6 | -2.4 | -176.2 | -55.8 | -165.4 | -60.6 | -139.6 | 4.9 | 112.9 | D878 Q883 | D878-R881 WeakPolarHBondContact OD1-CA 3.31Å; D878-R881 PolarHBondContact OD1-N 2.9Å; R881-Q883 HydrophobicContact CB-CG 3.9Å; R881-Q883 PolarHBondContact O-N 2.76Å |
| 882 | R | 80.4 | Confident | 86.9 | Confident | 211 Ų | 211 | 64.7 Ų | 64.7 | 80% | 0.796 | 32% | 0.316 | S | S | * | . | trans | 56.3 | 25.6 | -175.1 | -64 | -174.8 | 169.8 | -157 | -3.9 | 113.9 | D878 | D878-R882 WeakPolarHBondContact O-CA 3.43Å; D878-R882 PolarHBondContact OD1-N 3.36Å | ||
| 883 | Q | 82.6 | Confident | 86.9 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | trans | -78.9 | 144.5 | 175.5 | -60.7 | -177.9 | -60.2 | 0 | 0 | 110.2 | K877 D878 R881 H887 | K877-Q883 CarbonylContact C-O 3.53Å; K877-Q883 VanDerWaalsContact CA-O 3.27Å; K877-Q883 WeakPolarHBondContact CA-O 3.45Å; D878-Q883 PolarHBondContact N-O 3.34Å; R881-Q883 HydrophobicContact CB-CG 3.9Å; R881-Q883 PolarHBondContact O-N 2.76Å; Q883-H887 HydrophobicContact CB-CB 4.31Å; Q883-H887 VanDerWaalsContact CD-CD2 3.47Å; Q883-H887 PolarHBondContact NE2-CD2 2.83Å; Q883-H887 PolarHBondContact NE2-CE1 2.72Å; Q883-H887 PolarHBondContact NE2-NE2 3.48Å | ||
| 884 | S | 91.4 | Very high | 86.7 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 16% | 0.161 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -68.2 | 155.6 | -179.2 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | S874 V876 L886 H887 H888 | S874-S884 VanDerWaalsContact O-CB 3.25Å; S874-S884 WeakPolarHBondContact O-CB 3.37Å; V876-S884 CarbonylContact O-C 3.58Å; V876-S884 VanDerWaalsContact O-CA 3.23Å; V876-S884 WeakPolarHBondContact O-CA 3.43Å; S884-L886 PolarHBondContact O-N 3.32Å; S884-H887 WeakPolarHBondContact O-CB 3.48Å; S884-H887 PolarHBondContact O-N 3.21Å; S884-H887 PolarHBondContact OG-N 3.46Å; S884-H888 PolarHBondContact O-CD2 2.91Å; S884-H888 PolarHBondContact O-N 3.28Å |
| 885 | L | 90.1 | Very high | 86.5 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 9% | 0.089 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.2 | -37.3 | 170.7 | 176.5 | 62.3 | 0 | 0 | 0 | 110.3 | L850 V853 L857 V873 V876 H887 H888 L889 | L850-L885 HydrophobicContact CD1-CD2 4.09Å; V853-L885 HydrophobicContact CG1-CD1 3.72Å; L857-L885 HydrophobicContact CD1-CD1 4.24Å; V873-L885 HydrophobicContact CG1-CD2 4.38Å; V873-L885 HydrophobicContact CG1-CG 4.22Å; V873-L885 WeakPolarHBondContact O-CB 3.35Å; V876-L885 HydrophobicContact CB-CB 4.05Å; V876-L885 HydrophobicContact CB-CD2 4.37Å; V876-L885 HydrophobicContact CG1-CB 4.08Å; V876-L885 HydrophobicContact CG1-CD2 4.28Å; V876-L885 PolarHBondContact O-N 3.38Å; L885-H887 VanDerWaalsContact C-N 3.33Å; L885-H887 PolarHBondContact O-N 3.45Å; L885-H888 PolarHBondContact O-N 2.99Å; L885-L889 WeakPolarHBondContact O-CB 3.38Å; L885-L889 PolarHBondContact O-N 3.01Å |
| 886 | L | 92.6 | Very high | 86.2 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.3 | -39.6 | 170.6 | -171 | 60.9 | 0 | 0 | 0 | 113.7 | V873 S884 L889 C890 F1009 E1012 Y1013 C1016 | V873-L886 HydrophobicContact CG1-CB 4.09Å; V873-L886 HydrophobicContact CG1-CD1 4.21Å; V873-L886 PolarHBondContact O-N 3.3Å; S884-L886 PolarHBondContact O-N 3.32Å; L886-L889 HydrophobicContact CD1-CD2 4.3Å; L886-L889 PolarHBondContact O-N 2.98Å; L886-C890 WeakPolarHBondContact O-CB 3.42Å; L886-C890 PolarHBondContact O-N 3.21Å; L886-C890 PolarHBondContact O-SG 3.49Å; L886-F1009 HydrophobicContact CD1-CE2 3.85Å; L886-F1009 HydrophobicContact CD1-CZ 4.23Å; L886-E1012 HydrophobicContact CD2-CB 3.72Å; L886-Y1013 HydrophobicContact CD1-CD2 4.09Å; L886-C1016 HydrophobicContact CD2-CB 3.92Å; L886-C1016 HydrophobicContact CG-CB 3.98Å |
| 887 | H | 90.1 | Very high | 85.8 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 9% | 0.088 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 177.3 | 174.5 | 87.8 | 0 | 0 | 0 | 112.2 | Q883 S884 L885 S891 C1016 V1020 Q1023 | Q883-H887 HydrophobicContact CB-CB 4.31Å; Q883-H887 VanDerWaalsContact CD-CD2 3.47Å; Q883-H887 PolarHBondContact NE2-CD2 2.83Å; Q883-H887 PolarHBondContact NE2-CE1 2.72Å; Q883-H887 PolarHBondContact NE2-NE2 3.48Å; S884-H887 WeakPolarHBondContact O-CB 3.48Å; S884-H887 PolarHBondContact O-N 3.21Å; S884-H887 PolarHBondContact OG-N 3.46Å; L885-H887 VanDerWaalsContact C-N 3.33Å; L885-H887 PolarHBondContact O-N 3.45Å; H887-S891 WeakPolarHBondContact O-CB 3.38Å; H887-S891 PolarHBondContact O-N 3.42Å; H887-S891 PolarHBondContact O-OG 3.31Å; H887-C1016 VanDerWaalsContact CA-SG 3.54Å; H887-V1020 VanDerWaalsContact ND1-CG2 3.34Å; H887-V1020 WeakPolarHBondContact ND1-CG2 3.39Å; H887-Q1023 PolarHBondContact CE1-OE1 2.7Å; H887-Q1023 VanDerWaalsContact CE1-OE1 3.27Å |
| 888 | H | 88.5 | Confident | 85.1 | Confident | 54 Ų | 54 | 65.3 Ų | 65.3 | 25% | 0.25 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.3 | -39.9 | 175.2 | -66.4 | -68 | 0 | 0 | 0 | 111.4 | D878 S884 L885 S891 L892 | D878-H888 IonicContact OD2-CD2 3.93Å; D878-H888 IonicContact OD2-CE1 3.41Å; D878-H888 PolarHBondContact OD2-CE1 3.34Å; D878-H888 IonicContact OD2-NE2 2.74Å; D878-H888 PolarHBondContact OD2-NE2 3.19Å; S884-H888 PolarHBondContact O-CD2 2.91Å; S884-H888 PolarHBondContact O-N 3.28Å; L885-H888 PolarHBondContact O-N 2.99Å; H888-S891 WeakPolarHBondContact O-CB 3.42Å; H888-S891 PolarHBondContact O-N 3.27Å; H888-L892 WeakPolarHBondContact O-CB 3.24Å; H888-L892 WeakPolarHBondContact O-CG 3.26Å; H888-L892 PolarHBondContact O-N 3.43Å |
| 889 | L | 91.3 | Very high | 84.6 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.4 | -52 | 174.7 | -176.4 | 60.1 | 0 | 0 | 0 | 111.5 | I846 T849 L850 V873 L885 L886 S891 L892 V893 F1009 | I846-L889 HydrophobicContact CG2-CD2 3.9Å; I846-L889 HydrophobicContact CG2-CG 4.38Å; T849-L889 HydrophobicContact CG2-CD1 3.62Å; L850-L889 HydrophobicContact CB-CD1 3.92Å; L850-L889 HydrophobicContact CB-CD2 4.07Å; L850-L889 HydrophobicContact CD1-CD2 4.31Å; L850-L889 HydrophobicContact CD2-CD2 4.28Å; L850-L889 HydrophobicContact CG-CD2 4.46Å; V873-L889 HydrophobicContact CG1-CD2 3.94Å; L885-L889 WeakPolarHBondContact O-CB 3.38Å; L885-L889 PolarHBondContact O-N 3.01Å; L886-L889 HydrophobicContact CD1-CD2 4.3Å; L886-L889 PolarHBondContact O-N 2.98Å; L889-S891 VanDerWaalsContact C-N 3.28Å; L889-S891 PolarHBondContact O-N 2.74Å; L889-L892 PolarHBondContact O-N 3.32Å; L889-V893 HydrophobicContact CD1-CG2 4.28Å; L889-V893 WeakPolarHBondContact O-CB 3.48Å; L889-V893 VanDerWaalsContact O-CG2 3.3Å; L889-V893 WeakPolarHBondContact O-CG2 3.45Å; L889-V893 PolarHBondContact O-N 2.99Å; L889-F1009 HydrophobicContact CD2-CZ 4.48Å |
| 890 | C | 92.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.4 | -42 | 173.8 | -69.2 | 0 | 0 | 0 | 0 | 112 | L886 V893 L894 Y1013 V1020 | L886-C890 WeakPolarHBondContact O-CB 3.42Å; L886-C890 PolarHBondContact O-N 3.21Å; L886-C890 PolarHBondContact O-SG 3.49Å; C890-V893 PolarHBondContact O-N 2.99Å; C890-L894 WeakPolarHBondContact O-CB 3.33Å; C890-L894 VanDerWaalsContact O-CG 3.26Å; C890-L894 WeakPolarHBondContact O-CG 3.48Å; C890-L894 PolarHBondContact O-N 3Å; C890-Y1013 HydrophobicContact CB-CE2 4.38Å; C890-Y1013 WeakPolarHBondContact SG-CD2 3.29Å; C890-Y1013 WeakPolarHBondContact SG-CE2 3.41Å; C890-V1020 HydrophobicContact CB-CG2 3.98Å |
| 891 | S | 88.2 | Confident | 85.1 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 12% | 0.119 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 179 | -61.6 | 0 | 0 | 0 | 0 | 112.9 | H887 H888 L889 Q895 V1020 | H887-S891 WeakPolarHBondContact O-CB 3.38Å; H887-S891 PolarHBondContact O-N 3.42Å; H887-S891 PolarHBondContact O-OG 3.31Å; H888-S891 WeakPolarHBondContact O-CB 3.42Å; H888-S891 PolarHBondContact O-N 3.27Å; L889-S891 VanDerWaalsContact C-N 3.28Å; L889-S891 PolarHBondContact O-N 2.74Å; S891-Q895 VanDerWaalsContact O-CG 3.24Å; S891-Q895 WeakPolarHBondContact O-CG 3.29Å; S891-Q895 PolarHBondContact O-N 3.21Å; S891-Q895 PolarHBondContact O-NE2 2.99Å; S891-V1020 WeakPolarHBondContact OG-CG1 3.27Å |
| 892 | L | 88.1 | Confident | 85.9 | Confident | 64 Ų | 64 | 54.6 Ų | 54.6 | 34% | 0.335 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -74.1 | -37.7 | 177.5 | -71.4 | 168.3 | 0 | 0 | 0 | 112.3 | T849 V853 H888 L889 Q895 T896 | T849-L892 HydrophobicContact CG2-CB 3.64Å; T849-L892 HydrophobicContact CG2-CD1 4.08Å; V853-L892 HydrophobicContact CG2-CD1 3.76Å; H888-L892 WeakPolarHBondContact O-CB 3.24Å; H888-L892 WeakPolarHBondContact O-CG 3.26Å; H888-L892 PolarHBondContact O-N 3.43Å; L889-L892 PolarHBondContact O-N 3.32Å; L892-Q895 PolarHBondContact O-N 3.27Å; L892-T896 WeakPolarHBondContact O-CB 3.38Å; L892-T896 PolarHBondContact O-N 2.83Å; L892-T896 PolarHBondContact O-OG1 3.41Å |
| 893 | V | 89.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | C845 I846 T849 L889 C890 Q895 T896 R897 Y1013 | C845-V893 HydrophobicContact CB-CG1 4.44Å; I846-V893 HydrophobicContact CG1-CG1 4.27Å; I846-V893 HydrophobicContact CG1-CG2 4.1Å; T849-V893 HydrophobicContact CG2-CG2 4.29Å; L889-V893 HydrophobicContact CD1-CG2 4.28Å; L889-V893 WeakPolarHBondContact O-CB 3.48Å; L889-V893 VanDerWaalsContact O-CG2 3.3Å; L889-V893 WeakPolarHBondContact O-CG2 3.45Å; L889-V893 PolarHBondContact O-N 2.99Å; C890-V893 PolarHBondContact O-N 2.99Å; V893-Q895 VanDerWaalsContact C-N 3.32Å; V893-Q895 PolarHBondContact O-N 2.85Å; V893-T896 PolarHBondContact O-N 3.45Å; V893-R897 CarbonylContact O-C 3.51Å; V893-R897 PolarHBondContact O-N 3.34Å; V893-Y1013 WeakPolarHBondContact CG1-OH 3.48Å |
| 894 | L | 87.3 | Confident | 86.9 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -32.8 | 174.6 | -73.7 | 168.7 | 0 | 0 | 0 | 113.3 | C890 P898 R1017 V1020 L1021 | C890-L894 WeakPolarHBondContact O-CB 3.33Å; C890-L894 VanDerWaalsContact O-CG 3.26Å; C890-L894 WeakPolarHBondContact O-CG 3.48Å; C890-L894 PolarHBondContact O-N 3Å; L894-P898 WeakPolarHBondContact O-CA 3.34Å; L894-R1017 HydrophobicContact CD1-CG 4.21Å; L894-R1017 HydrophobicContact CD2-CG 4.31Å; L894-R1017 HydrophobicContact CG-CG 4.48Å; L894-V1020 HydrophobicContact CD1-CB 4.29Å; L894-V1020 HydrophobicContact CD1-CG1 3.65Å; L894-L1021 HydrophobicContact CD1-CD2 3.84Å; L894-L1021 HydrophobicContact CD1-CG 3.87Å; L894-L1021 HydrophobicContact CD2-CD2 4.05Å; L894-L1021 HydrophobicContact CD2-CG 4.42Å |
| 895 | Q | 84.4 | Confident | 86.9 | Confident | 134 Ų | 134 | 48.1 Ų | 48.1 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -73.7 | -36.4 | 173.9 | -72.9 | 167 | 36.1 | 0 | 0 | 112.4 | S891 L892 V893 | S891-Q895 VanDerWaalsContact O-CG 3.24Å; S891-Q895 WeakPolarHBondContact O-CG 3.29Å; S891-Q895 PolarHBondContact O-N 3.21Å; S891-Q895 PolarHBondContact O-NE2 2.99Å; L892-Q895 PolarHBondContact O-N 3.27Å; V893-Q895 VanDerWaalsContact C-N 3.32Å; V893-Q895 PolarHBondContact O-N 2.85Å |
| 896 | T | 80.7 | Confident | 86.9 | Confident | 98 Ų | 98 | 50.3 Ų | 50.3 | 60% | 0.601 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -79.7 | -34.7 | -177.9 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | L892 V893 | L892-T896 WeakPolarHBondContact O-CB 3.38Å; L892-T896 PolarHBondContact O-N 2.83Å; L892-T896 PolarHBondContact O-OG1 3.41Å; V893-T896 PolarHBondContact O-N 3.45Å |
| 897 | R | 81.1 | Confident | 86.9 | Confident | 113 Ų | 113 | 50.2 Ų | 50.2 | 43% | 0.426 | 26% | 0.261 | S | S | . | . | trans | -144.3 | 89.5 | -179.6 | -167.4 | -177.4 | -140.7 | 108.7 | 6.3 | 109.3 | V893 E899 S900 | V893-R897 CarbonylContact O-C 3.51Å; V893-R897 PolarHBondContact O-N 3.34Å; R897-E899 PolarHBondContact O-N 2.57Å; R897-S900 WeakPolarHBondContact O-CB 3.36Å; R897-S900 PolarHBondContact O-N 3.27Å; R897-S900 PolarHBondContact O-OG 3.44Å | ||
| 898 | P | 74.7 | Confident | 87 | Confident | 100 Ų | 100 | 51.8 Ų | 51.8 | 65% | 0.649 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -33.1 | 179 | -27.7 | 36.4 | 0 | 0 | 0 | 113.8 | L894 S900 | L894-P898 WeakPolarHBondContact O-CA 3.34Å; P898-S900 PolarHBondContact O-N 3.02Å |
| 899 | E | 73.3 | Confident | 87.3 | Confident | 186 Ų | 186 | 49.2 Ų | 49.2 | 87% | 0.869 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 20.5 | 174.7 | -59 | -174.4 | 176.7 | 0 | 0 | 113.4 | R897 | R897-E899 PolarHBondContact O-N 2.57Š|
| 900 | S | 82.5 | Confident | 87.4 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | trans | -68.1 | 132 | 171.3 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | R897 P898 R1017 | R897-S900 WeakPolarHBondContact O-CB 3.36Å; R897-S900 PolarHBondContact O-N 3.27Å; R897-S900 PolarHBondContact O-OG 3.44Å; P898-S900 PolarHBondContact O-N 3.02Å; S900-R1017 VanDerWaalsContact O-CZ 3.3Å; S900-R1017 PolarHBondContact O-NE 3.48Å; S900-R1017 VanDerWaalsContact O-NE 3.16Å; S900-R1017 PolarHBondContact O-NH2 3.44Å | ||
| 901 | S | 87.3 | Confident | 87.4 | Confident | 37 Ų | 37 | 50 Ų | 50 | 26% | 0.259 | 27% | 0.266 | S | S | . | . | trans | -77.2 | -172.3 | -178.8 | -162.7 | 0 | 0 | 0 | 0 | 112.4 | T842 L903 E906 R1017 | T842-S901 PolarHBondContact OG1-N 3.37Å; S901-L903 VanDerWaalsContact C-N 3.27Å; S901-E906 WeakPolarHBondContact CB-OE1 3.48Å; S901-E906 WeakPolarHBondContact CB-OE2 3.45Å; S901-R1017 VanDerWaalsContact O-CD 3.27Å; S901-R1017 WeakPolarHBondContact O-CD 3.43Å; S901-R1017 PolarHBondContact O-NE 3.22Å; S901-R1017 VanDerWaalsContact O-NE 3.07Å | ||
| 902 | D | 87.3 | Confident | 87.7 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 10% | 0.096 | 28% | 0.282 | C | S | . | . | trans | -81.5 | 0.4 | 175.6 | 79.3 | -22.4 | 0 | 0 | 0 | 114.4 | Y904 S905 Y1013 R1014 | D902-Y904 PolarHBondContact O-N 3.32Å; D902-Y904 PolarHBondContact OD1-N 2.96Å; D902-S905 VanDerWaalsContact CG-OG 3.3Å; D902-S905 WeakPolarHBondContact OD1-CB 3.38Å; D902-S905 PolarHBondContact OD1-N 3.4Å; D902-S905 PolarHBondContact OD1-OG 3.11Å; D902-S905 PolarHBondContact OD2-N 2.96Å; D902-S905 PolarHBondContact OD2-OG 3.45Å; D902-Y1013 WeakPolarHBondContact O-CD1 3.34Å; D902-R1014 HydrophobicContact CB-CB 4.11Å; D902-R1014 HydrophobicContact CB-CG 3.89Å; D902-R1014 WeakPolarHBondContact OD2-CD 3.3Å | ||
| 903 | L | 91 | Very high | 88 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 61.2 | -50.9 | -168.4 | -178.9 | 61.4 | 0 | 0 | 0 | 114.3 | T842 F843 I846 S901 S905 E906 I907 F1009 A1010 Y1013 | T842-L903 HydrophobicContact CG2-CB 4.43Å; F843-L903 HydrophobicContact CB-CD1 3.75Å; F843-L903 HydrophobicContact CD2-CD1 3.97Å; F843-L903 HydrophobicContact CD2-CD2 4.02Å; F843-L903 HydrophobicContact CG-CD1 4.24Å; I846-L903 HydrophobicContact CD1-CB 4.26Å; I846-L903 HydrophobicContact CD1-CD2 3.95Å; S901-L903 VanDerWaalsContact C-N 3.27Å; L903-S905 VanDerWaalsContact C-N 3.33Å; L903-S905 PolarHBondContact O-N 2.89Å; L903-E906 WeakPolarHBondContact O-CB 3.35Å; L903-E906 PolarHBondContact O-N 3.47Å; L903-I907 HydrophobicContact CD1-CG2 4.32Å; L903-I907 PolarHBondContact O-N 2.86Å; L903-F1009 HydrophobicContact CD2-CD1 4.1Å; L903-F1009 HydrophobicContact CD2-CE1 4.01Å; L903-A1010 HydrophobicContact CB-CB 4.39Å; L903-A1010 HydrophobicContact CD2-CB 3.92Å; L903-A1010 HydrophobicContact CG-CB 3.86Å; L903-Y1013 HydrophobicContact CB-CD1 3.88Å; L903-Y1013 HydrophobicContact CB-CE1 4.26Å |
| 904 | Y | 92.8 | Very high | 88.1 | Confident | 52 Ų | 52 | 52.4 Ų | 52.4 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -56.4 | -42.3 | -175.2 | -170.6 | -84.1 | 0 | 0 | 0 | 113.1 | D902 E906 I907 T911 R1007 A1010 L1011 | D902-Y904 PolarHBondContact O-N 3.32Å; D902-Y904 PolarHBondContact OD1-N 2.96Å; Y904-E906 PolarHBondContact O-N 3.48Å; Y904-I907 PolarHBondContact O-N 2.93Å; Y904-T911 HydrophobicContact CE1-CG2 4.32Å; Y904-T911 HydrophobicContact CE2-CG2 4.3Å; Y904-T911 WeakPolarHBondContact OH-CG2 3.34Å; Y904-R1007 HydrophobicContact CE2-CG 4.24Å; Y904-A1010 HydrophobicContact CD2-CB 4.11Å; Y904-L1011 HydrophobicContact CD2-CB 4.01Å; Y904-L1011 HydrophobicContact CD2-CD1 4.18Å; Y904-L1011 HydrophobicContact CE2-CB 4.05Å; Y904-L1011 HydrophobicContact CE2-CD1 3.94Å |
| 905 | S | 91.7 | Very high | 88.3 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 56% | 0.559 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -73.2 | -13.1 | 179.6 | -57.3 | 0 | 0 | 0 | 0 | 113.2 | D902 L903 | D902-S905 VanDerWaalsContact CG-OG 3.3Å; D902-S905 WeakPolarHBondContact OD1-CB 3.38Å; D902-S905 PolarHBondContact OD1-N 3.4Å; D902-S905 PolarHBondContact OD1-OG 3.11Å; D902-S905 PolarHBondContact OD2-N 2.96Å; D902-S905 PolarHBondContact OD2-OG 3.45Å; L903-S905 VanDerWaalsContact C-N 3.33Å; L903-S905 PolarHBondContact O-N 2.89Å |
| 906 | E | 89.4 | Confident | 88.7 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -96.1 | -9.8 | 178.6 | -59.4 | 178.3 | 139.6 | 0 | 0 | 113.3 | N840 T842 S901 L903 Y904 P908 | N840-E906 WeakPolarHBondContact ND2-CB 3.38Å; N840-E906 PolarHBondContact ND2-OE2 2.7Å; N840-E906 PolarHBondContact OD1-OE2 3.35Å; T842-E906 WeakPolarHBondContact CB-OE2 3.37Å; T842-E906 PolarHBondContact OG1-OE1 3.33Å; T842-E906 PolarHBondContact OG1-OE2 3.21Å; S901-E906 WeakPolarHBondContact CB-OE1 3.48Å; S901-E906 WeakPolarHBondContact CB-OE2 3.45Å; L903-E906 WeakPolarHBondContact O-CB 3.35Å; L903-E906 PolarHBondContact O-N 3.47Å; Y904-E906 PolarHBondContact O-N 3.48Å; E906-P908 WeakPolarHBondContact O-CD 3.43Å |
| 907 | I | 93.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | trans | -119.4 | 44.4 | 177.5 | 63.6 | 169 | 0 | 0 | 0 | 114.3 | L837 L903 Y904 A909 L910 T911 A1010 | L837-I907 HydrophobicContact CD2-CG2 3.89Å; L903-I907 HydrophobicContact CD1-CG2 4.32Å; L903-I907 PolarHBondContact O-N 2.86Å; Y904-I907 PolarHBondContact O-N 2.93Å; I907-A909 PolarHBondContact O-N 2.93Å; I907-L910 HydrophobicContact CB-CD1 4.44Å; I907-L910 PolarHBondContact O-N 2.99Å; I907-T911 PolarHBondContact O-N 3.28Å; I907-T911 VanDerWaalsContact O-N 3.14Å; I907-T911 PolarHBondContact O-OG1 3.23Å; I907-A1010 HydrophobicContact CD1-CB 3.79Å | ||
| 908 | P | 92.5 | Very high | 89.8 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 34% | 0.338 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -21.8 | -173.8 | 29.6 | -37.4 | 0 | 0 | 0 | 114 | E906 R912 | E906-P908 WeakPolarHBondContact O-CD 3.43Å; P908-R912 PolarHBondContact O-NH1 3.04Å |
| 909 | A | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -48.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D829 V832 I907 T911 R912 C913 | D829-A909 HydrophobicContact CB-CB 4.27Å; D829-A909 WeakPolarHBondContact O-CB 3.36Å; V832-A909 HydrophobicContact CB-CB 4.36Å; V832-A909 HydrophobicContact CG1-CB 4.15Å; I907-A909 PolarHBondContact O-N 2.93Å; A909-T911 PolarHBondContact O-N 3.24Å; A909-R912 WeakPolarHBondContact O-CA 3.48Å; A909-R912 WeakPolarHBondContact O-CB 3.38Å; A909-R912 PolarHBondContact O-N 2.97Å; A909-C913 PolarHBondContact O-N 3.1Å; A909-C913 PolarHBondContact O-SG 2.96Å; A909-C913 VanDerWaalsContact O-SG 3.41Å |
| 910 | L | 93.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.6 | -33.7 | 172.7 | -66.5 | 174.2 | 0 | 0 | 0 | 112.7 | L837 I907 R912 C913 A914 L1006 | L837-L910 HydrophobicContact CD1-CD1 3.44Å; L837-L910 VanDerWaalsContact CD1-CD1 3.44Å; L837-L910 HydrophobicContact CD2-CD1 3.93Å; L837-L910 HydrophobicContact CG-CD1 3.53Å; I907-L910 HydrophobicContact CB-CD1 4.44Å; I907-L910 PolarHBondContact O-N 2.99Å; L910-R912 PolarHBondContact O-N 3.32Å; L910-C913 PolarHBondContact O-N 3.02Å; L910-A914 WeakPolarHBondContact O-CB 3.43Å; L910-A914 PolarHBondContact O-N 2.74Å; L910-L1006 HydrophobicContact CD1-CD1 4.3Å |
| 911 | T | 93.3 | Very high | 92.1 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -24.5 | 175.6 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | Y904 I907 A909 R1007 | Y904-T911 HydrophobicContact CE1-CG2 4.32Å; Y904-T911 HydrophobicContact CE2-CG2 4.3Å; Y904-T911 WeakPolarHBondContact OH-CG2 3.34Å; I907-T911 PolarHBondContact O-N 3.28Å; I907-T911 VanDerWaalsContact O-N 3.14Å; I907-T911 PolarHBondContact O-OG1 3.23Å; A909-T911 PolarHBondContact O-N 3.24Å; T911-R1007 HydrophobicContact CG2-CG 4.26Å |
| 912 | R | 93.8 | Very high | 92.4 | Very high | 124 Ų | 124 | 47.4 Ų | 47.4 | 47% | 0.468 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -84.4 | -46.1 | 169.3 | -65.8 | -172.8 | -64.9 | -91.8 | 8.2 | 111.5 | D829 P908 A909 L910 A914 K915 | D829-R912 IonicContact OD1-CZ 3.1Å; D829-R912 IonicContact OD1-NE 2.68Å; D829-R912 PolarHBondContact OD1-NE 3.45Å; D829-R912 IonicContact OD1-NH2 3.77Å; D829-R912 PolarHBondContact OD1-NH2 3.4Å; D829-R912 IonicContact OD2-CZ 3.93Å; D829-R912 IonicContact OD2-NE 2.78Å; D829-R912 PolarHBondContact OD2-NE 3.46Å; D829-R912 IonicContact OD2-NH2 3.7Å; P908-R912 PolarHBondContact O-NH1 3.04Å; A909-R912 WeakPolarHBondContact O-CA 3.48Å; A909-R912 WeakPolarHBondContact O-CB 3.38Å; A909-R912 PolarHBondContact O-N 2.97Å; L910-R912 PolarHBondContact O-N 3.32Å; R912-A914 PolarHBondContact O-N 3.24Å; R912-K915 PolarHBondContact O-N 3.14Å |
| 913 | C | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.8 | -34.7 | 176.1 | -59.2 | 0 | 0 | 0 | 0 | 113.4 | D829 L830 A909 L910 K915 V916 F918 C1003 | D829-C913 VanDerWaalsContact CB-SG 3.56Å; L830-C913 VanDerWaalsContact CA-SG 3.57Å; L830-C913 PolarHBondContact N-SG 3.09Å; A909-C913 PolarHBondContact O-N 3.1Å; A909-C913 PolarHBondContact O-SG 2.96Å; A909-C913 VanDerWaalsContact O-SG 3.41Å; L910-C913 PolarHBondContact O-N 3.02Å; C913-K915 PolarHBondContact O-N 3.41Å; C913-V916 PolarHBondContact O-N 3.22Å; C913-F918 HydrophobicContact CB-CE2 4.19Å; C913-F918 HydrophobicContact CB-CZ 4.13Å; C913-C1003 HydrophobicContact CB-CB 4.19Å |
| 914 | A | 92.4 | Very high | 92.9 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -6.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | L910 R912 C1003 R1007 | L910-A914 WeakPolarHBondContact O-CB 3.43Å; L910-A914 PolarHBondContact O-N 2.74Å; R912-A914 PolarHBondContact O-N 3.24Å; A914-C1003 HydrophobicContact CB-CB 3.91Å; A914-R1007 HydrophobicContact CB-CB 4.01Å; A914-R1007 HydrophobicContact CB-CG 4.42Å |
| 915 | K | 91.9 | Very high | 93 | Very high | 167 Ų | 167 | 51.1 Ų | 51.1 | 73% | 0.726 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -0.2 | 174.8 | -57.8 | -174 | 179.3 | -173.5 | 0 | 113.7 | R912 C913 | R912-K915 PolarHBondContact O-N 3.14Å; C913-K915 PolarHBondContact O-N 3.41Å |
| 916 | V | 93.3 | Very high | 93.1 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | trans | -107.5 | 127.9 | -176 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | P826 C913 F918 L921 | P826-V916 HydrophobicContact CB-CB 4.35Å; P826-V916 HydrophobicContact CB-CG1 3.85Å; P826-V916 HydrophobicContact CB-CG2 4.14Å; P826-V916 HydrophobicContact CG-CG1 3.97Å; P826-V916 HydrophobicContact CG-CG2 4.08Å; C913-V916 PolarHBondContact O-N 3.22Å; V916-F918 HydrophobicContact CB-CE2 4.06Å; V916-F918 HydrophobicContact CG1-CE2 4.35Å; V916-F918 VanDerWaalsContact O-CD2 3.26Å; V916-F918 WeakPolarHBondContact O-CD2 3.44Å; V916-F918 PolarHBondContact O-N 3.12Å; V916-L921 HydrophobicContact CG1-CD1 4.28Å | ||
| 917 | D | 92.4 | Very high | 93.3 | Very high | 77 Ų | 77 | 48.6 Ų | 48.6 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | trans | -80.8 | 110.2 | 168.7 | -173.6 | -22.6 | 0 | 0 | 0 | 109.7 | E919 Q920 L921 | D917-E919 VanDerWaalsContact C-N 3.34Å; D917-E919 WeakPolarHBondContact OD1-CA 3.39Å; D917-E919 VanDerWaalsContact OD1-CB 3.27Å; D917-E919 WeakPolarHBondContact OD1-CB 3.42Å; D917-E919 PolarHBondContact OD1-N 2.96Å; D917-Q920 HydrophobicContact CB-CB 4Å; D917-Q920 PolarHBondContact OD1-N 3.13Å; D917-L921 WeakPolarHBondContact O-CB 3.35Å; D917-L921 PolarHBondContact O-N 3Å | ||
| 918 | F | 91.5 | Very high | 93.3 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.066 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.9 | -18.4 | 179 | -72.6 | -97.2 | 0 | 0 | 0 | 113.1 | P826 L830 C913 V916 L921 T922 I999 | P826-F918 HydrophobicContact CB-CE1 4.39Å; P826-F918 HydrophobicContact CB-CZ 4.35Å; L830-F918 HydrophobicContact CB-CE1 4.25Å; L830-F918 HydrophobicContact CB-CZ 4.22Å; L830-F918 HydrophobicContact CD2-CD1 4.32Å; L830-F918 HydrophobicContact CD2-CE1 3.71Å; L830-F918 HydrophobicContact CD2-CZ 4.11Å; C913-F918 HydrophobicContact CB-CE2 4.19Å; C913-F918 HydrophobicContact CB-CZ 4.13Å; V916-F918 HydrophobicContact CB-CE2 4.06Å; V916-F918 HydrophobicContact CG1-CE2 4.35Å; V916-F918 VanDerWaalsContact O-CD2 3.26Å; V916-F918 WeakPolarHBondContact O-CD2 3.44Å; V916-F918 PolarHBondContact O-N 3.12Å; F918-L921 HydrophobicContact CD1-CD2 3.65Å; F918-L921 HydrophobicContact CE1-CD2 3.94Å; F918-L921 HydrophobicContact CG-CD2 4.45Å; F918-T922 PolarHBondContact O-N 3.45Å; F918-T922 VanDerWaalsContact O-N 3.16Å; F918-T922 PolarHBondContact O-OG1 3.32Å; F918-I999 HydrophobicContact CB-CB 4.49Å; F918-I999 HydrophobicContact CB-CD1 4.2Å; F918-I999 HydrophobicContact CD1-CD1 4.13Å; F918-I999 HydrophobicContact CD1-CG2 4.21Å; F918-I999 HydrophobicContact CD2-CB 4.03Å; F918-I999 HydrophobicContact CD2-CG2 3.56Å; F918-I999 HydrophobicContact CE1-CG2 4.2Å; F918-I999 HydrophobicContact CE2-CB 4.49Å; F918-I999 HydrophobicContact CE2-CG2 3.55Å; F918-I999 HydrophobicContact CG-CB 4.17Å; F918-I999 HydrophobicContact CG-CD1 4.13Å; F918-I999 HydrophobicContact CG-CG2 3.92Å; F918-I999 HydrophobicContact CZ-CG2 3.88Å |
| 919 | E | 91.8 | Very high | 93.4 | Very high | 116 Ų | 116 | 46.9 Ų | 46.9 | 54% | 0.542 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -71.2 | -47 | 170.5 | -55.5 | 179.7 | -149.5 | 0 | 0 | 108.9 | D917 L921 T922 E923 R998 | D917-E919 VanDerWaalsContact C-N 3.34Å; D917-E919 WeakPolarHBondContact OD1-CA 3.39Å; D917-E919 VanDerWaalsContact OD1-CB 3.27Å; D917-E919 WeakPolarHBondContact OD1-CB 3.42Å; D917-E919 PolarHBondContact OD1-N 2.96Å; E919-L921 PolarHBondContact O-N 3Å; E919-T922 WeakPolarHBondContact O-CB 3.41Å; E919-T922 PolarHBondContact O-N 3.33Å; E919-E923 PolarHBondContact O-N 2.91Å; E919-R998 WeakPolarHBondContact OE1-CD 3.48Å; E919-R998 IonicContact OE1-CZ 2.69Å; E919-R998 IonicContact OE1-NE 3.15Å; E919-R998 IonicContact OE1-NH1 3.36Å; E919-R998 PolarHBondContact OE1-NH1 2.9Å |
| 920 | Q | 93.1 | Very high | 93.4 | Very high | 86 Ų | 86 | 52.9 Ų | 52.9 | 40% | 0.402 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 173 | -170.6 | 62.4 | 70.7 | 0 | 0 | 112.5 | D917 T922 E923 N924 | D917-Q920 HydrophobicContact CB-CB 4Å; D917-Q920 PolarHBondContact OD1-N 3.13Å; Q920-T922 VanDerWaalsContact C-N 3.25Å; Q920-T922 PolarHBondContact O-N 3.13Å; Q920-E923 PolarHBondContact NE2-OE2 3.03Å; Q920-E923 VanDerWaalsContact NE2-OE2 3.12Å; Q920-E923 PolarHBondContact O-N 3.39Å; Q920-E923 VanDerWaalsContact O-N 3.13Å; Q920-N924 PolarHBondContact NE2-OD1 3.31Å; Q920-N924 WeakPolarHBondContact O-CB 3.29Å; Q920-N924 PolarHBondContact O-N 2.92Å; Q920-N924 PolarHBondContact O-OD1 2.69Å |
| 921 | L | 93.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.6 | -40.6 | 173.7 | -160.6 | 75.7 | 0 | 0 | 0 | 111.8 | E822 I823 P826 L827 V916 D917 F918 E919 N924 L925 | E822-L921 WeakPolarHBondContact O-CD1 3.47Å; I823-L921 HydrophobicContact CG2-CG 4.46Å; P826-L921 HydrophobicContact CB-CD1 4.21Å; P826-L921 HydrophobicContact CB-CD2 4.08Å; P826-L921 HydrophobicContact CG-CD1 3.97Å; L827-L921 HydrophobicContact CD2-CD2 4Å; L827-L921 HydrophobicContact CG-CD2 4.08Å; V916-L921 HydrophobicContact CG1-CD1 4.28Å; D917-L921 WeakPolarHBondContact O-CB 3.35Å; D917-L921 PolarHBondContact O-N 3Å; F918-L921 HydrophobicContact CD1-CD2 3.65Å; F918-L921 HydrophobicContact CE1-CD2 3.94Å; F918-L921 HydrophobicContact CG-CD2 4.45Å; E919-L921 PolarHBondContact O-N 3Å; L921-N924 PolarHBondContact O-N 2.75Å; L921-L925 PolarHBondContact O-N 3.22Å; L921-L925 VanDerWaalsContact O-N 3.08Å |
| 922 | T | 93.4 | Very high | 93.3 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 45% | 0.454 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 176 | -56 | 0 | 0 | 0 | 0 | 111.1 | F918 E919 Q920 G926 H973 | F918-T922 PolarHBondContact O-N 3.45Å; F918-T922 VanDerWaalsContact O-N 3.16Å; F918-T922 PolarHBondContact O-OG1 3.32Å; E919-T922 WeakPolarHBondContact O-CB 3.41Å; E919-T922 PolarHBondContact O-N 3.33Å; Q920-T922 VanDerWaalsContact C-N 3.25Å; Q920-T922 PolarHBondContact O-N 3.13Å; T922-G926 PolarHBondContact O-N 2.9Å; T922-G926 VanDerWaalsContact O-N 3.1Å; T922-H973 PolarHBondContact OG1-CE1 3.15Å; T922-H973 PolarHBondContact OG1-NE2 2.98Å |
| 923 | E | 94.8 | Very high | 93.2 | Very high | 93 Ų | 93 | 56.4 Ų | 56.4 | 44% | 0.435 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 176.5 | -151.8 | -137.6 | 152.7 | 0 | 0 | 112.3 | E919 Q920 L925 G926 Q927 R930 | E919-E923 PolarHBondContact O-N 2.91Å; Q920-E923 PolarHBondContact NE2-OE2 3.03Å; Q920-E923 VanDerWaalsContact NE2-OE2 3.12Å; Q920-E923 PolarHBondContact O-N 3.39Å; Q920-E923 VanDerWaalsContact O-N 3.13Å; E923-L925 VanDerWaalsContact C-N 3.34Å; E923-L925 PolarHBondContact O-N 2.99Å; E923-G926 CarbonylContact O-C 3.43Å; E923-G926 WeakPolarHBondContact O-CA 3.17Å; E923-G926 PolarHBondContact O-N 2.87Å; E923-G926 VanDerWaalsContact O-N 3.13Å; E923-Q927 WeakPolarHBondContact O-CB 3.45Å; E923-Q927 PolarHBondContact O-N 3.32Å; E923-R930 IonicContact OE1-NH2 2.7Å; E923-R930 PolarHBondContact OE1-NH2 3.01Å; E923-R930 VanDerWaalsContact OE1-NH2 3.15Å |
| 924 | N | 94.2 | Very high | 93.1 | Very high | 48 Ų | 48 | 58.7 Ų | 58.7 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 178 | -69.2 | -1.9 | 0 | 0 | 0 | 111.1 | I823 Q920 L921 Q927 L928 | I823-N924 HydrophobicContact CD1-CB 4.42Å; I823-N924 HydrophobicContact CG1-CB 4.28Å; Q920-N924 PolarHBondContact NE2-OD1 3.31Å; Q920-N924 WeakPolarHBondContact O-CB 3.29Å; Q920-N924 PolarHBondContact O-N 2.92Å; Q920-N924 PolarHBondContact O-OD1 2.69Å; L921-N924 PolarHBondContact O-N 2.75Å; N924-Q927 WeakPolarHBondContact O-CB 3.22Å; N924-Q927 PolarHBondContact O-N 3.47Å; N924-Q927 VanDerWaalsContact O-N 3.13Å; N924-L928 WeakPolarHBondContact O-CB 3.23Å; N924-L928 PolarHBondContact O-N 2.78Å |
| 925 | L | 94.6 | Very high | 93.1 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62 | -45.3 | 171.2 | 178.9 | 55.7 | 0 | 0 | 0 | 111.9 | I823 L921 E923 Q927 L928 E929 L969 R970 H973 | I823-L925 HydrophobicContact CD1-CB 4.09Å; I823-L925 HydrophobicContact CD1-CD1 4.36Å; I823-L925 HydrophobicContact CG2-CB 4.33Å; L921-L925 PolarHBondContact O-N 3.22Å; L921-L925 VanDerWaalsContact O-N 3.08Å; E923-L925 VanDerWaalsContact C-N 3.34Å; E923-L925 PolarHBondContact O-N 2.99Å; L925-Q927 PolarHBondContact O-N 3.21Å; L925-L928 PolarHBondContact O-N 3.43Å; L925-E929 PolarHBondContact O-N 2.77Å; L925-L969 HydrophobicContact CD1-CB 3.75Å; L925-L969 HydrophobicContact CD1-CD1 4.09Å; L925-R970 HydrophobicContact CD2-CG 4.31Å; L925-H973 HydrophobicContact CD2-CB 3.92Å |
| 926 | G | 94.8 | Very high | 93 | Very high | 23 Ų | 23 | 53.5 Ų | 53.5 | 24% | 0.237 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -26 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T922 E923 R930 | T922-G926 PolarHBondContact O-N 2.9Å; T922-G926 VanDerWaalsContact O-N 3.1Å; E923-G926 CarbonylContact O-C 3.43Å; E923-G926 WeakPolarHBondContact O-CA 3.17Å; E923-G926 PolarHBondContact O-N 2.87Å; E923-G926 VanDerWaalsContact O-N 3.13Å; G926-R930 VanDerWaalsContact O-CG 3.25Å; G926-R930 WeakPolarHBondContact O-CG 3.17Å; G926-R930 PolarHBondContact O-N 3.41Å; G926-R930 PolarHBondContact O-NE 3.36Å |
| 927 | Q | 93.9 | Very high | 92.8 | Very high | 67 Ų | 67 | 57.2 Ų | 57.2 | 31% | 0.313 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -79.3 | -44.3 | 174.2 | -161.8 | -163.5 | 77.5 | 0 | 0 | 111.6 | E923 N924 L925 E929 R930 R931 | E923-Q927 WeakPolarHBondContact O-CB 3.45Å; E923-Q927 PolarHBondContact O-N 3.32Å; N924-Q927 WeakPolarHBondContact O-CB 3.22Å; N924-Q927 PolarHBondContact O-N 3.47Å; N924-Q927 VanDerWaalsContact O-N 3.13Å; L925-Q927 PolarHBondContact O-N 3.21Å; Q927-E929 VanDerWaalsContact C-N 3.29Å; Q927-E929 PolarHBondContact O-N 3.24Å; Q927-R930 PolarHBondContact O-N 2.94Å; Q927-R930 VanDerWaalsContact O-N 3.12Å; Q927-R931 WeakPolarHBondContact O-CG 3.46Å; Q927-R931 PolarHBondContact O-N 3.33Å |
| 928 | L | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 175.6 | -179.4 | 57.9 | 0 | 0 | 0 | 111.1 | F812 Y816 M819 I823 N924 L925 R931 S932 V966 L969 | F812-L928 HydrophobicContact CE2-CD1 4.08Å; Y816-L928 HydrophobicContact CD2-CD1 3.9Å; Y816-L928 HydrophobicContact CE2-CD1 3.96Å; Y816-L928 HydrophobicContact CE2-CG 4.5Å; M819-L928 HydrophobicContact CB-CD1 3.9Å; M819-L928 HydrophobicContact CB-CD2 4.47Å; M819-L928 HydrophobicContact CE-CB 4.18Å; M819-L928 HydrophobicContact CE-CD1 4.33Å; M819-L928 HydrophobicContact SD-CD1 4.08Å; I823-L928 HydrophobicContact CD1-CB 4.23Å; I823-L928 HydrophobicContact CD1-CD2 3.76Å; N924-L928 WeakPolarHBondContact O-CB 3.23Å; N924-L928 PolarHBondContact O-N 2.78Å; L925-L928 PolarHBondContact O-N 3.43Å; L928-R931 PolarHBondContact O-N 3.08Å; L928-S932 WeakPolarHBondContact O-CB 3.35Å; L928-S932 PolarHBondContact O-N 3.4Å; L928-V966 HydrophobicContact CD2-CG2 3.96Å; L928-V966 HydrophobicContact CG-CG2 3.86Å; L928-L969 HydrophobicContact CD2-CD1 3.85Å |
| 929 | E | 93.6 | Very high | 92.4 | Very high | 18 Ų | 18 | 54 Ų | 54 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.9 | -50.7 | 169.9 | -88.6 | -172.7 | -122.9 | 0 | 0 | 114 | L925 Q927 R931 S932 R933 V966 R970 | L925-E929 PolarHBondContact O-N 2.77Å; Q927-E929 VanDerWaalsContact C-N 3.29Å; Q927-E929 PolarHBondContact O-N 3.24Å; E929-R931 VanDerWaalsContact C-N 3.3Å; E929-R931 PolarHBondContact O-N 3Å; E929-S932 PolarHBondContact O-N 3.2Å; E929-R933 PolarHBondContact O-N 3.43Å; E929-R933 IonicContact OE2-CZ 2.93Å; E929-R933 VanDerWaalsContact OE2-CZ 3.32Å; E929-R933 IonicContact OE2-NH1 3.63Å; E929-R933 PolarHBondContact OE2-NH1 3.4Å; E929-R933 IonicContact OE2-NH2 2.75Å; E929-R933 PolarHBondContact OE2-NH2 3.35Å; E929-V966 HydrophobicContact CB-CG1 4.33Å; E929-V966 HydrophobicContact CG-CG1 3.38Å; E929-R970 VanDerWaalsContact OE1-CD 3.23Å; E929-R970 WeakPolarHBondContact OE1-CD 3.25Å; E929-R970 IonicContact OE1-CZ 3.68Å; E929-R970 IonicContact OE1-NE 2.66Å; E929-R970 IonicContact OE1-NH1 2.73Å; E929-R970 PolarHBondContact OE1-NH1 2.87Å; E929-R970 IonicContact OE2-NH1 2.68Å |
| 930 | R | 94.3 | Very high | 92.1 | Very high | 125 Ų | 125 | 55.1 Ų | 55.1 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 179.2 | -77.9 | 174.9 | -74.9 | 167.6 | -3.8 | 110.3 | E923 G926 Q927 A934 | E923-R930 IonicContact OE1-NH2 2.7Å; E923-R930 PolarHBondContact OE1-NH2 3.01Å; E923-R930 VanDerWaalsContact OE1-NH2 3.15Å; G926-R930 VanDerWaalsContact O-CG 3.25Å; G926-R930 WeakPolarHBondContact O-CG 3.17Å; G926-R930 PolarHBondContact O-N 3.41Å; G926-R930 PolarHBondContact O-NE 3.36Å; Q927-R930 PolarHBondContact O-N 2.94Å; Q927-R930 VanDerWaalsContact O-N 3.12Å; R930-A934 WeakPolarHBondContact O-CB 3.24Å; R930-A934 PolarHBondContact O-N 2.83Å |
| 931 | R | 91.3 | Very high | 91.7 | Very high | 94 Ų | 94 | 53.4 Ų | 53.4 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 175.6 | -71.2 | -179.3 | 174.4 | -149.9 | -4.3 | 112.1 | F812 D815 M819 Q927 L928 E929 A934 A935 | F812-R931 HydrophobicContact CD2-CB 3.65Å; F812-R931 HydrophobicContact CE2-CB 3.73Å; D815-R931 IonicContact OD2-NH1 3.28Å; D815-R931 PolarHBondContact OD2-NH1 3.12Å; M819-R931 PolarHBondContact SD-NH1 3.3Å; Q927-R931 WeakPolarHBondContact O-CG 3.46Å; Q927-R931 PolarHBondContact O-N 3.33Å; L928-R931 PolarHBondContact O-N 3.08Å; E929-R931 VanDerWaalsContact C-N 3.3Å; E929-R931 PolarHBondContact O-N 3Å; R931-A934 PolarHBondContact O-N 3.25Å; R931-A935 WeakPolarHBondContact O-CB 3.42Å; R931-A935 PolarHBondContact O-N 3.19Å |
| 932 | S | 93.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 176.4 | -166.6 | 0 | 0 | 0 | 0 | 112 | F812 L928 E929 A935 E936 | F812-S932 VanDerWaalsContact CZ-CA 3.47Å; L928-S932 WeakPolarHBondContact O-CB 3.35Å; L928-S932 PolarHBondContact O-N 3.4Å; E929-S932 PolarHBondContact O-N 3.2Å; S932-A935 WeakPolarHBondContact O-CB 3.21Å; S932-A935 PolarHBondContact O-N 3.48Å; S932-E936 PolarHBondContact O-N 2.86Å |
| 933 | R | 91.7 | Very high | 90.2 | Very high | 120 Ų | 120 | 52.2 Ų | 52.2 | 45% | 0.453 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 176 | -69.8 | -173 | -77.7 | -97 | 7.8 | 111.9 | E929 A935 E936 E937 | E929-R933 PolarHBondContact O-N 3.43Å; E929-R933 IonicContact OE2-CZ 2.93Å; E929-R933 VanDerWaalsContact OE2-CZ 3.32Å; E929-R933 IonicContact OE2-NH1 3.63Å; E929-R933 PolarHBondContact OE2-NH1 3.4Å; E929-R933 IonicContact OE2-NH2 2.75Å; E929-R933 PolarHBondContact OE2-NH2 3.35Å; R933-A935 VanDerWaalsContact C-N 3.31Å; R933-A935 PolarHBondContact O-N 2.91Å; R933-E936 PolarHBondContact O-N 3.39Å; R933-E937 WeakPolarHBondContact O-CG 3.5Å; R933-E937 PolarHBondContact O-N 3.35Å |
| 934 | A | 92.1 | Very high | 89.1 | Confident | 48 Ų | 48 | 56.3 Ų | 56.3 | 40% | 0.397 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.4 | -31.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R930 R931 S938 | R930-A934 WeakPolarHBondContact O-CB 3.24Å; R930-A934 PolarHBondContact O-N 2.83Å; R931-A934 PolarHBondContact O-N 3.25Å; A934-S938 WeakPolarHBondContact O-CB 3.18Å; A934-S938 PolarHBondContact O-N 3.45Å; A934-S938 PolarHBondContact O-OG 3.09Å |
| 935 | A | 90.9 | Very high | 88 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.7 | -38.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L809 F812 R931 S932 R933 S938 L939 L959 | L809-A935 HydrophobicContact CD1-CB 3.88Å; F812-A935 HydrophobicContact CB-CB 4.26Å; F812-A935 HydrophobicContact CD1-CB 3.34Å; F812-A935 HydrophobicContact CE1-CB 3.78Å; F812-A935 HydrophobicContact CG-CB 3.82Å; R931-A935 WeakPolarHBondContact O-CB 3.42Å; R931-A935 PolarHBondContact O-N 3.19Å; S932-A935 WeakPolarHBondContact O-CB 3.21Å; S932-A935 PolarHBondContact O-N 3.48Å; R933-A935 VanDerWaalsContact C-N 3.31Å; R933-A935 PolarHBondContact O-N 2.91Å; A935-S938 WeakPolarHBondContact O-CB 3.3Å; A935-S938 PolarHBondContact O-N 3.39Å; A935-L939 PolarHBondContact O-N 3.17Å; A935-L959 HydrophobicContact CB-CD1 4.43Å; A935-L959 HydrophobicContact CB-CD2 3.78Å; A935-L959 WeakPolarHBondContact O-CD1 3.34Å |
| 936 | E | 89.6 | Confident | 86.7 | Confident | 61 Ų | 61 | 66.4 Ų | 66.4 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 169.7 | -71.3 | 175 | -138.7 | 0 | 0 | 112.1 | S932 R933 S938 L939 R940 L959 | S932-E936 PolarHBondContact O-N 2.86Å; R933-E936 PolarHBondContact O-N 3.39Å; E936-S938 VanDerWaalsContact C-N 3.28Å; E936-S938 PolarHBondContact O-N 3.19Å; E936-L939 PolarHBondContact O-N 2.68Å; E936-R940 WeakPolarHBondContact O-CB 3.39Å; E936-R940 PolarHBondContact O-N 2.88Å; E936-R940 IonicContact OE2-NH2 3.46Å; E936-R940 PolarHBondContact OE2-NH2 3.29Å; E936-L959 HydrophobicContact CB-CD1 4.48Å; E936-L959 HydrophobicContact CG-CB 4.3Å; E936-L959 HydrophobicContact CG-CD1 4.12Å |
| 937 | E | 89.9 | Confident | 85.9 | Confident | 116 Ų | 116 | 66.5 Ų | 66.5 | 54% | 0.542 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 174.3 | -74.6 | 172.6 | -166 | 0 | 0 | 112.2 | R933 R940 S941 | R933-E937 WeakPolarHBondContact O-CG 3.5Å; R933-E937 PolarHBondContact O-N 3.35Å; E937-R940 PolarHBondContact O-N 3.02Å; E937-S941 WeakPolarHBondContact O-CB 3.34Å; E937-S941 PolarHBondContact O-N 3.02Å; E937-S941 PolarHBondContact O-OG 2.95Å |
| 938 | S | 87.6 | Confident | 85.2 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 12% | 0.119 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 170.6 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | A934 A935 E936 R940 S941 L942 | A934-S938 WeakPolarHBondContact O-CB 3.18Å; A934-S938 PolarHBondContact O-N 3.45Å; A934-S938 PolarHBondContact O-OG 3.09Å; A935-S938 WeakPolarHBondContact O-CB 3.3Å; A935-S938 PolarHBondContact O-N 3.39Å; E936-S938 VanDerWaalsContact C-N 3.28Å; E936-S938 PolarHBondContact O-N 3.19Å; S938-R940 VanDerWaalsContact C-N 3.25Å; S938-R940 PolarHBondContact O-N 3.47Å; S938-S941 WeakPolarHBondContact CA-OG 3.41Å; S938-S941 PolarHBondContact O-N 3.37Å; S938-S941 PolarHBondContact O-OG 3.34Å; S938-L942 WeakPolarHBondContact O-CB 3.48Å; S938-L942 WeakPolarHBondContact O-CG 3.37Å; S938-L942 PolarHBondContact O-N 2.76Å |
| 939 | L | 87.8 | Confident | 84.6 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.8 | -25.4 | 176.2 | -173.3 | 59.1 | 0 | 0 | 0 | 113.4 | L809 A935 E936 A943 L947 R952 L955 T956 L959 | L809-L939 HydrophobicContact CD2-CB 4.03Å; L809-L939 HydrophobicContact CD2-CD1 4.05Å; A935-L939 PolarHBondContact O-N 3.17Å; E936-L939 PolarHBondContact O-N 2.68Å; L939-A943 PolarHBondContact O-N 2.85Å; L939-L947 HydrophobicContact CD1-CD2 3.97Å; L939-R952 PolarHBondContact O-NH1 3.43Å; L939-L955 HydrophobicContact CD1-CB 3.99Å; L939-L955 HydrophobicContact CD1-CD1 4.25Å; L939-L955 HydrophobicContact CD2-CB 3.92Å; L939-T956 WeakPolarHBondContact CD2-OG1 3.41Å; L939-L959 HydrophobicContact CB-CD1 3.91Å; L939-L959 HydrophobicContact CD2-CD1 3.77Å |
| 940 | R | 85.8 | Confident | 84.1 | Confident | 138 Ų | 138 | 73.6 Ų | 73.6 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -78.4 | -36.8 | 176 | -165.9 | 179.3 | -61.4 | 118.2 | 5.3 | 112.1 | E936 E937 S938 A943 | E936-R940 WeakPolarHBondContact O-CB 3.39Å; E936-R940 PolarHBondContact O-N 2.88Å; E936-R940 IonicContact OE2-NH2 3.46Å; E936-R940 PolarHBondContact OE2-NH2 3.29Å; E937-R940 PolarHBondContact O-N 3.02Å; S938-R940 VanDerWaalsContact C-N 3.25Å; S938-R940 PolarHBondContact O-N 3.47Å; R940-A943 VanDerWaalsContact O-CB 3.26Å; R940-A943 WeakPolarHBondContact O-CB 3.44Å; R940-A943 PolarHBondContact O-N 3.12Å |
| 941 | S | 84.2 | Confident | 83.5 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 36% | 0.357 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -74.3 | -39.7 | 172.2 | 54.6 | 0 | 0 | 0 | 0 | 111.9 | E937 S938 A943 K944 | E937-S941 WeakPolarHBondContact O-CB 3.34Å; E937-S941 PolarHBondContact O-N 3.02Å; E937-S941 PolarHBondContact O-OG 2.95Å; S938-S941 WeakPolarHBondContact CA-OG 3.41Å; S938-S941 PolarHBondContact O-N 3.37Å; S938-S941 PolarHBondContact O-OG 3.34Å; S941-A943 PolarHBondContact O-N 3.05Å; S941-A943 VanDerWaalsContact O-N 3.16Å; S941-K944 WeakPolarHBondContact O-CB 3.48Å; S941-K944 PolarHBondContact O-N 2.66Å |
| 942 | L | 81.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -61.2 | -19.3 | 171.4 | -70.3 | 174.1 | 0 | 0 | 0 | 113.9 | G802 A805 R806 L809 S938 K944 H945 | G802-L942 WeakPolarHBondContact O-CD2 3.23Å; A805-L942 HydrophobicContact CB-CD1 4.29Å; A805-L942 HydrophobicContact CB-CD2 3.96Å; A805-L942 HydrophobicContact CB-CG 3.82Å; R806-L942 HydrophobicContact CG-CD1 4.03Å; R806-L942 HydrophobicContact CG-CD2 3.44Å; R806-L942 VanDerWaalsContact CG-CD2 3.44Å; R806-L942 HydrophobicContact CG-CG 4.39Å; L809-L942 HydrophobicContact CD2-CD1 3.97Å; S938-L942 WeakPolarHBondContact O-CB 3.48Å; S938-L942 WeakPolarHBondContact O-CG 3.37Å; S938-L942 PolarHBondContact O-N 2.76Å; L942-K944 PolarHBondContact O-N 2.97Å; L942-K944 VanDerWaalsContact O-N 3.15Å; L942-H945 PolarHBondContact O-N 3.35Å; L942-H945 VanDerWaalsContact O-O 3.09Å |
| 943 | A | 73.4 | Confident | 82.9 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 44% | 0.438 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -62.1 | -16.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | L939 R940 S941 | L939-A943 PolarHBondContact O-N 2.85Å; R940-A943 VanDerWaalsContact O-CB 3.26Å; R940-A943 WeakPolarHBondContact O-CB 3.44Å; R940-A943 PolarHBondContact O-N 3.12Å; S941-A943 PolarHBondContact O-N 3.05Å; S941-A943 VanDerWaalsContact O-N 3.16Å |
| 944 | K | 71.7 | Confident | 82.7 | Confident | 179 Ų | 179 | 72.7 Ų | 72.7 | 78% | 0.778 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -88.3 | -3.3 | 176 | -56.4 | -179.6 | -179.5 | -179.7 | 0 | 113.5 | S941 L942 | S941-K944 WeakPolarHBondContact O-CB 3.48Å; S941-K944 PolarHBondContact O-N 2.66Å; L942-K944 PolarHBondContact O-N 2.97Å; L942-K944 VanDerWaalsContact O-N 3.15Å |
| 945 | H | 71.9 | Confident | 82.5 | Confident | 87 Ų | 87 | 70.7 Ų | 70.7 | 40% | 0.403 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -124.9 | 163.9 | -179.3 | -62 | -67.1 | 0 | 0 | 0 | 110.4 | L942 L947 | L942-H945 PolarHBondContact O-N 3.35Å; L942-H945 VanDerWaalsContact O-O 3.09Å; H945-L947 PolarHBondContact O-N 3.45Å; H945-L947 VanDerWaalsContact O-N 3.14Å |
| 946 | E | 66.8 | Low | 82.5 | Confident | 180 Ų | 180 | 72.9 Ų | 72.9 | 84% | 0.841 | 38% | 0.384 | S | S | * | . | trans | -64.8 | 117.8 | 179.1 | -63.6 | -169.9 | 153.4 | 0 | 0 | 111.4 | R806 | R806-E946 PolarHBondContact NH1-O 2.96Å; R806-E946 PolarHBondContact NH2-O 3.48Å | ||
| 947 | L | 77.1 | Confident | 82.6 | Confident | 26 Ų | 26 | 75 Ų | 75 | 14% | 0.136 | 39% | 0.393 | C | S | . | . | trans | -141.8 | 125.9 | 175.9 | -164.8 | 73.6 | 0 | 0 | 0 | 107.6 | F749 L939 H945 L951 R952 L955 | F749-L947 HydrophobicContact CE2-CD1 4.47Å; L939-L947 HydrophobicContact CD1-CD2 3.97Å; H945-L947 PolarHBondContact O-N 3.45Å; H945-L947 VanDerWaalsContact O-N 3.14Å; L947-L951 HydrophobicContact CD1-CD2 3.72Å; L947-L951 HydrophobicContact CD1-CG 4.42Å; L947-L951 HydrophobicContact CG-CD2 4.23Å; L947-R952 HydrophobicContact CD2-CB 4.06Å; L947-R952 HydrophobicContact CD2-CG 4.45Å; L947-L955 HydrophobicContact CD2-CD1 4.42Å | ||
| 948 | A | 81.1 | Confident | 82.6 | Confident | 51 Ų | 51 | 71.1 Ų | 71.1 | 42% | 0.421 | 37% | 0.374 | S | S | . | . | trans | -57.3 | 131.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A950 L951 R952 | A948-A950 VanDerWaalsContact C-N 3.26Å; A948-A950 PolarHBondContact O-N 3.04Å; A948-A950 VanDerWaalsContact O-N 3.13Å; A948-L951 HydrophobicContact CB-CB 4.16Å; A948-L951 WeakPolarHBondContact O-CA 3.48Å; A948-L951 WeakPolarHBondContact O-CB 3.42Å; A948-L951 PolarHBondContact O-N 3.33Å; A948-R952 PolarHBondContact O-N 2.73Å | ||
| 949 | P | 80.3 | Confident | 82.9 | Confident | 112 Ų | 112 | 70.6 Ų | 70.6 | 73% | 0.727 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -55.8 | -36.4 | -173.6 | -30.3 | 36.1 | 0 | 0 | 0 | 114.5 | R952 A953 | P949-R952 PolarHBondContact O-N 3.04Å; P949-A953 WeakPolarHBondContact O-CB 3.37Å; P949-A953 PolarHBondContact O-N 3.39Å |
| 950 | A | 82.5 | Confident | 83 | Confident | 71 Ų | 71 | 73.7 Ų | 73.7 | 59% | 0.587 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66.7 | -41.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A948 A953 R954 | A948-A950 VanDerWaalsContact C-N 3.26Å; A948-A950 PolarHBondContact O-N 3.04Å; A948-A950 VanDerWaalsContact O-N 3.13Å; A950-A953 PolarHBondContact O-N 2.89Å; A950-R954 WeakPolarHBondContact O-CG 3.5Å; A950-R954 PolarHBondContact O-N 2.67Å |
| 951 | L | 83.3 | Confident | 83.2 | Confident | 9 Ų | 9 | 71 Ų | 71 | 5% | 0.047 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 174.5 | 173.2 | 63.3 | 0 | 0 | 0 | 110.8 | L747 F749 L947 A948 A953 R954 L955 | L747-L951 WeakPolarHBondContact O-CD2 2.85Å; F749-L951 HydrophobicContact CB-CD1 4.15Å; F749-L951 HydrophobicContact CD2-CD1 4.26Å; F749-L951 HydrophobicContact CD2-CD2 3.86Å; F749-L951 HydrophobicContact CE2-CD2 4.41Å; F749-L951 HydrophobicContact CG-CD1 4.34Å; L947-L951 HydrophobicContact CD1-CD2 3.72Å; L947-L951 HydrophobicContact CD1-CG 4.42Å; L947-L951 HydrophobicContact CG-CD2 4.23Å; A948-L951 HydrophobicContact CB-CB 4.16Å; A948-L951 WeakPolarHBondContact O-CA 3.48Å; A948-L951 WeakPolarHBondContact O-CB 3.42Å; A948-L951 PolarHBondContact O-N 3.33Å; L951-A953 VanDerWaalsContact C-N 3.35Å; L951-A953 PolarHBondContact O-N 3.34Å; L951-R954 PolarHBondContact O-N 2.94Å; L951-L955 HydrophobicContact CD1-CD1 3.84Å; L951-L955 HydrophobicContact CD1-CG 4.06Å; L951-L955 HydrophobicContact CG-CD1 3.88Å; L951-L955 HydrophobicContact CG-CG 4.49Å; L951-L955 WeakPolarHBondContact O-CG 3.49Å; L951-L955 PolarHBondContact O-N 3.34Å |
| 952 | R | 84.9 | Confident | 83.6 | Confident | 90 Ų | 90 | 68.6 Ų | 68.6 | 34% | 0.34 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.2 | -48 | 174.7 | -177.4 | 172.3 | 175.4 | 71.1 | 4.3 | 111.5 | L939 L947 A948 P949 R954 L955 T956 | L939-R952 PolarHBondContact O-NH1 3.43Å; L947-R952 HydrophobicContact CD2-CB 4.06Å; L947-R952 HydrophobicContact CD2-CG 4.45Å; A948-R952 PolarHBondContact O-N 2.73Å; P949-R952 PolarHBondContact O-N 3.04Å; R952-R954 PolarHBondContact O-N 3.1Å; R952-L955 PolarHBondContact O-N 2.92Å; R952-T956 PolarHBondContact O-N 3.04Å; R952-T956 PolarHBondContact O-OG1 2.91Å |
| 953 | A | 87.1 | Confident | 84 | Confident | 62 Ų | 62 | 70.5 Ų | 70.5 | 51% | 0.512 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P949 A950 L951 H957 | P949-A953 WeakPolarHBondContact O-CB 3.37Å; P949-A953 PolarHBondContact O-N 3.39Å; A950-A953 PolarHBondContact O-N 2.89Å; L951-A953 VanDerWaalsContact C-N 3.35Å; L951-A953 PolarHBondContact O-N 3.34Å; A953-H957 WeakPolarHBondContact O-CB 3.44Å; A953-H957 PolarHBondContact O-N 3.43Å |
| 954 | R | 87.3 | Confident | 84.8 | Confident | 162 Ų | 162 | 74.2 Ų | 74.2 | 61% | 0.611 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.8 | -44.7 | 174.7 | -67.9 | -174 | -49.9 | -158.3 | 9 | 112.1 | A950 L951 R952 H957 F958 | A950-R954 WeakPolarHBondContact O-CG 3.5Å; A950-R954 PolarHBondContact O-N 2.67Å; L951-R954 PolarHBondContact O-N 2.94Å; R952-R954 PolarHBondContact O-N 3.1Å; R954-H957 PolarHBondContact O-N 2.96Å; R954-F958 WeakPolarHBondContact O-CB 3.42Å; R954-F958 PolarHBondContact O-N 3.09Å |
| 955 | L | 88.1 | Confident | 85.7 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.1 | -39.4 | 179.9 | -70.7 | 170 | 0 | 0 | 0 | 112.1 | F749 L809 L939 L947 L951 R952 F958 L959 | F749-L955 HydrophobicContact CD1-CD2 4.21Å; F749-L955 HydrophobicContact CD2-CD1 4.44Å; F749-L955 HydrophobicContact CE1-CD1 4.24Å; F749-L955 HydrophobicContact CE1-CD2 4.23Å; F749-L955 HydrophobicContact CE2-CD1 4.17Å; F749-L955 HydrophobicContact CZ-CD1 4.07Å; L809-L955 HydrophobicContact CD2-CD1 4.07Å; L809-L955 HydrophobicContact CD2-CD2 4.45Å; L939-L955 HydrophobicContact CD1-CB 3.99Å; L939-L955 HydrophobicContact CD1-CD1 4.25Å; L939-L955 HydrophobicContact CD2-CB 3.92Å; L947-L955 HydrophobicContact CD2-CD1 4.42Å; L951-L955 HydrophobicContact CD1-CD1 3.84Å; L951-L955 HydrophobicContact CD1-CG 4.06Å; L951-L955 HydrophobicContact CG-CD1 3.88Å; L951-L955 HydrophobicContact CG-CG 4.49Å; L951-L955 WeakPolarHBondContact O-CG 3.49Å; L951-L955 PolarHBondContact O-N 3.34Å; R952-L955 PolarHBondContact O-N 2.92Å; L955-F958 PolarHBondContact O-N 2.91Å; L955-L959 WeakPolarHBondContact O-CG 3.27Å; L955-L959 PolarHBondContact O-N 3.14Å |
| 956 | T | 89.9 | Confident | 86.7 | Confident | 50 Ų | 50 | 65 Ų | 65 | 31% | 0.307 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 172.6 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | L939 R952 F958 L959 D960 | L939-T956 WeakPolarHBondContact CD2-OG1 3.41Å; R952-T956 PolarHBondContact O-N 3.04Å; R952-T956 PolarHBondContact O-OG1 2.91Å; T956-F958 VanDerWaalsContact C-N 3.31Å; T956-F958 PolarHBondContact O-N 2.74Å; T956-L959 PolarHBondContact O-N 2.92Å; T956-D960 WeakPolarHBondContact O-CB 3.26Å; T956-D960 PolarHBondContact O-N 3.04Å |
| 957 | H | 91.2 | Very high | 87.9 | Confident | 105 Ų | 105 | 58.9 Ų | 58.9 | 49% | 0.486 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 178.9 | -172.5 | 72.5 | 0 | 0 | 0 | 113.1 | A953 R954 Q961 | A953-H957 WeakPolarHBondContact O-CB 3.44Å; A953-H957 PolarHBondContact O-N 3.43Å; R954-H957 PolarHBondContact O-N 2.96Å; H957-Q961 PolarHBondContact CD2-NE2 3.48Å; H957-Q961 PolarHBondContact NE2-NE2 3.27Å; H957-Q961 WeakPolarHBondContact O-CG 3.47Å; H957-Q961 PolarHBondContact O-N 3.35Å; H957-Q961 VanDerWaalsContact O-N 3.08Å |
| 958 | F | 91.9 | Very high | 88.5 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.6 | -51.9 | 172.7 | 171.5 | -99.9 | 0 | 0 | 0 | 111.5 | F812 K813 Y816 R954 L955 T956 D960 Q961 C962 | F812-F958 HydrophobicContact CD1-CE1 4.28Å; F812-F958 HydrophobicContact CE1-CE1 4.18Å; K813-F958 HydrophobicContact CB-CE1 3.97Å; K813-F958 HydrophobicContact CB-CZ 4.16Å; K813-F958 HydrophobicContact CG-CD1 3.89Å; K813-F958 HydrophobicContact CG-CD2 4.33Å; K813-F958 HydrophobicContact CG-CE1 3.47Å; K813-F958 VanDerWaalsContact CG-CE1 3.47Å; K813-F958 HydrophobicContact CG-CE2 3.94Å; K813-F958 HydrophobicContact CG-CG 4.31Å; K813-F958 HydrophobicContact CG-CZ 3.5Å; K813-F958 VanDerWaalsContact CG-CZ 3.5Å; Y816-F958 HydrophobicContact CG-CZ 4.24Å; R954-F958 WeakPolarHBondContact O-CB 3.42Å; R954-F958 PolarHBondContact O-N 3.09Å; L955-F958 PolarHBondContact O-N 2.91Å; T956-F958 VanDerWaalsContact C-N 3.31Å; T956-F958 PolarHBondContact O-N 2.74Å; F958-D960 VanDerWaalsContact C-N 3.31Å; F958-D960 PolarHBondContact O-N 3.43Å; F958-Q961 CarbonylContact O-C 3.59Å; F958-Q961 WeakPolarHBondContact O-CA 3.43Å; F958-Q961 WeakPolarHBondContact O-CB 3.46Å; F958-Q961 PolarHBondContact O-N 3.43Å; F958-C962 VanDerWaalsContact CE1-SG 3.52Å; F958-C962 WeakPolarHBondContact CZ-SG 3.44Å; F958-C962 PolarHBondContact O-N 2.99Å; F958-C962 PolarHBondContact O-SG 2.95Å; F958-C962 VanDerWaalsContact O-SG 3.36Å |
| 959 | L | 92.1 | Very high | 88.9 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -35.8 | 179.2 | -64.9 | -178 | 0 | 0 | 0 | 112.5 | L809 F812 A935 E936 L939 L955 T956 Q961 C962 A963 | L809-L959 HydrophobicContact CD1-CD1 3.96Å; L809-L959 HydrophobicContact CD1-CD2 4.06Å; L809-L959 HydrophobicContact CD1-CG 4.35Å; F812-L959 HydrophobicContact CD1-CD2 3.98Å; F812-L959 HydrophobicContact CE1-CD2 3.65Å; A935-L959 HydrophobicContact CB-CD1 4.43Å; A935-L959 HydrophobicContact CB-CD2 3.78Å; A935-L959 WeakPolarHBondContact O-CD1 3.34Å; E936-L959 HydrophobicContact CB-CD1 4.48Å; E936-L959 HydrophobicContact CG-CB 4.3Å; E936-L959 HydrophobicContact CG-CD1 4.12Å; L939-L959 HydrophobicContact CB-CD1 3.91Å; L939-L959 HydrophobicContact CD2-CD1 3.77Å; L955-L959 WeakPolarHBondContact O-CG 3.27Å; L955-L959 PolarHBondContact O-N 3.14Å; T956-L959 PolarHBondContact O-N 2.92Å; L959-Q961 VanDerWaalsContact C-N 3.26Å; L959-Q961 PolarHBondContact O-N 2.95Å; L959-C962 PolarHBondContact O-N 3.32Å; L959-A963 WeakPolarHBondContact O-CB 2.93Å; L959-A963 PolarHBondContact O-N 3.4Å |
| 960 | D | 90.2 | Very high | 89.5 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 40% | 0.396 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60 | -36.1 | 170.9 | -72.1 | -19.8 | 0 | 0 | 0 | 111.8 | T956 F958 R964 | T956-D960 WeakPolarHBondContact O-CB 3.26Å; T956-D960 PolarHBondContact O-N 3.04Å; F958-D960 VanDerWaalsContact C-N 3.31Å; F958-D960 PolarHBondContact O-N 3.43Å; D960-R964 VanDerWaalsContact C-NH2 3.26Å; D960-R964 WeakPolarHBondContact O-CG 3.18Å; D960-R964 PolarHBondContact O-N 3.4Å; D960-R964 PolarHBondContact O-NE 3.25Å; D960-R964 PolarHBondContact O-NH1 2.79Å; D960-R964 PolarHBondContact O-NH2 3.39Å |
| 961 | Q | 90.8 | Very high | 89.9 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.8 | -46.6 | 173.6 | -72.4 | -175.6 | 16.5 | 0 | 0 | 111.4 | H957 F958 L959 A963 R964 R965 | H957-Q961 PolarHBondContact CD2-NE2 3.48Å; H957-Q961 PolarHBondContact NE2-NE2 3.27Å; H957-Q961 WeakPolarHBondContact O-CG 3.47Å; H957-Q961 PolarHBondContact O-N 3.35Å; H957-Q961 VanDerWaalsContact O-N 3.08Å; F958-Q961 CarbonylContact O-C 3.59Å; F958-Q961 WeakPolarHBondContact O-CA 3.43Å; F958-Q961 WeakPolarHBondContact O-CB 3.46Å; F958-Q961 PolarHBondContact O-N 3.43Å; L959-Q961 VanDerWaalsContact C-N 3.26Å; L959-Q961 PolarHBondContact O-N 2.95Å; Q961-A963 PolarHBondContact O-N 3.07Å; Q961-R964 PolarHBondContact O-N 2.97Å; Q961-R965 WeakPolarHBondContact O-CB 3.39Å; Q961-R965 WeakPolarHBondContact O-CG 3.39Å; Q961-R965 PolarHBondContact O-N 3.45Å |
| 962 | C | 91.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.4 | -50.6 | 175.6 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | F812 Y816 F958 L959 R964 R965 V966 | F812-C962 HydrophobicContact CE1-CB 4.44Å; F812-C962 HydrophobicContact CZ-CB 4.43Å; Y816-C962 HydrophobicContact CD2-CB 4Å; Y816-C962 VanDerWaalsContact CD2-SG 3.53Å; Y816-C962 HydrophobicContact CE2-CB 3.56Å; F958-C962 VanDerWaalsContact CE1-SG 3.52Å; F958-C962 WeakPolarHBondContact CZ-SG 3.44Å; F958-C962 PolarHBondContact O-N 2.99Å; F958-C962 PolarHBondContact O-SG 2.95Å; F958-C962 VanDerWaalsContact O-SG 3.36Å; L959-C962 PolarHBondContact O-N 3.32Å; C962-R964 VanDerWaalsContact C-N 3.31Å; C962-R964 PolarHBondContact O-N 3.44Å; C962-R965 PolarHBondContact O-N 3.16Å; C962-R965 VanDerWaalsContact O-N 3.13Å; C962-V966 WeakPolarHBondContact O-CB 3.42Å; C962-V966 VanDerWaalsContact O-CG2 3.28Å; C962-V966 WeakPolarHBondContact O-CG2 3.45Å; C962-V966 PolarHBondContact O-N 2.56Å |
| 963 | A | 91 | Very high | 90.8 | Very high | 41 Ų | 41 | 55.1 Ų | 55.1 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L959 Q961 A967 | L959-A963 WeakPolarHBondContact O-CB 2.93Å; L959-A963 PolarHBondContact O-N 3.4Å; Q961-A963 PolarHBondContact O-N 3.07Å; A963-A967 WeakPolarHBondContact O-CB 3.48Å; A963-A967 PolarHBondContact O-N 2.76Å |
| 964 | R | 90.8 | Very high | 91 | Very high | 131 Ų | 131 | 57.8 Ų | 57.8 | 49% | 0.494 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 173.1 | -77.6 | -175 | -67.8 | -88 | -3.9 | 112.7 | D960 Q961 C962 A967 M968 | D960-R964 VanDerWaalsContact C-NH2 3.26Å; D960-R964 WeakPolarHBondContact O-CG 3.18Å; D960-R964 PolarHBondContact O-N 3.4Å; D960-R964 PolarHBondContact O-NE 3.25Å; D960-R964 PolarHBondContact O-NH1 2.79Å; D960-R964 PolarHBondContact O-NH2 3.39Å; Q961-R964 PolarHBondContact O-N 2.97Å; C962-R964 VanDerWaalsContact C-N 3.31Å; C962-R964 PolarHBondContact O-N 3.44Å; R964-A967 PolarHBondContact O-N 3.4Å; R964-M968 WeakPolarHBondContact O-CG 3.3Å; R964-M968 PolarHBondContact O-N 2.96Å |
| 965 | R | 90.4 | Very high | 91.2 | Very high | 66 Ų | 66 | 51 Ų | 51 | 25% | 0.249 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.1 | -38.6 | -178.2 | -70.3 | 172.6 | 78.5 | 109.9 | -2.1 | 112.3 | Y816 E820 Q961 C962 M968 L969 | Y816-R965 VanDerWaalsContact OH-CB 3.25Å; Y816-R965 WeakPolarHBondContact OH-CB 3.15Å; E820-R965 VanDerWaalsContact CD-NE 3.34Å; E820-R965 VanDerWaalsContact OE1-CB 3.25Å; E820-R965 WeakPolarHBondContact OE1-CB 3.4Å; E820-R965 WeakPolarHBondContact OE1-CD 3.26Å; E820-R965 IonicContact OE1-CZ 3.41Å; E820-R965 IonicContact OE1-NE 3.29Å; E820-R965 PolarHBondContact OE1-NE 2.89Å; E820-R965 IonicContact OE1-NH2 3.26Å; E820-R965 IonicContact OE2-CZ 2.68Å; E820-R965 VanDerWaalsContact OE2-CZ 3.26Å; E820-R965 IonicContact OE2-NE 2.72Å; E820-R965 PolarHBondContact OE2-NE 3.29Å; E820-R965 VanDerWaalsContact OE2-NE 3.12Å; E820-R965 IonicContact OE2-NH2 2.73Å; E820-R965 PolarHBondContact OE2-NH2 2.95Å; Q961-R965 WeakPolarHBondContact O-CB 3.39Å; Q961-R965 WeakPolarHBondContact O-CG 3.39Å; Q961-R965 PolarHBondContact O-N 3.45Å; C962-R965 PolarHBondContact O-N 3.16Å; C962-R965 VanDerWaalsContact O-N 3.13Å; R965-M968 HydrophobicContact CB-CE 4.34Å; R965-M968 HydrophobicContact CG-CE 3.91Å; R965-M968 CarbonylContact O-C 3.6Å; R965-M968 PolarHBondContact O-N 3.29Å; R965-L969 PolarHBondContact O-N 3.37Å |
| 966 | V | 93 | Very high | 91.5 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.2 | -38.1 | 171.6 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | Y816 L928 E929 C962 L969 R970 | Y816-V966 HydrophobicContact CE2-CG2 3.92Å; L928-V966 HydrophobicContact CD2-CG2 3.96Å; L928-V966 HydrophobicContact CG-CG2 3.86Å; E929-V966 HydrophobicContact CB-CG1 4.33Å; E929-V966 HydrophobicContact CG-CG1 3.38Å; C962-V966 WeakPolarHBondContact O-CB 3.42Å; C962-V966 VanDerWaalsContact O-CG2 3.28Å; C962-V966 WeakPolarHBondContact O-CG2 3.45Å; C962-V966 PolarHBondContact O-N 2.56Å; V966-L969 WeakPolarHBondContact O-CB 3.49Å; V966-L969 PolarHBondContact O-N 3.32Å; V966-R970 PolarHBondContact O-N 2.94Å |
| 967 | A | 90.8 | Very high | 91.5 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 41% | 0.413 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.3 | -40.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A963 R964 R970 I971 | A963-A967 WeakPolarHBondContact O-CB 3.48Å; A963-A967 PolarHBondContact O-N 2.76Å; R964-A967 PolarHBondContact O-N 3.4Å; A967-R970 PolarHBondContact O-N 2.71Å; A967-I971 WeakPolarHBondContact O-CG1 3.17Å; A967-I971 PolarHBondContact O-N 3.12Å |
| 968 | M | 89.4 | Confident | 91.5 | Very high | 52 Ų | 52 | 45.3 Ų | 45.3 | 26% | 0.256 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 172.6 | -68.8 | -174.6 | -60.4 | 0 | 0 | 112.2 | R964 R965 R970 I971 V972 | R964-M968 WeakPolarHBondContact O-CG 3.3Å; R964-M968 PolarHBondContact O-N 2.96Å; R965-M968 HydrophobicContact CB-CE 4.34Å; R965-M968 HydrophobicContact CG-CE 3.91Å; R965-M968 CarbonylContact O-C 3.6Å; R965-M968 PolarHBondContact O-N 3.29Å; M968-R970 VanDerWaalsContact C-N 3.33Å; M968-R970 PolarHBondContact O-N 3.31Å; M968-I971 PolarHBondContact O-N 3.48Å; M968-I971 VanDerWaalsContact O-N 3.12Å; M968-V972 WeakPolarHBondContact O-CG2 3.3Å; M968-V972 PolarHBondContact O-N 2.87Å |
| 969 | L | 91.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.8 | -43.1 | 172.7 | -87.8 | 174.3 | 0 | 0 | 0 | 112 | I567 E820 I823 A824 L925 L928 R965 V966 I971 V972 H973 | I567-L969 HydrophobicContact CD1-CD2 3.7Å; I567-L969 HydrophobicContact CD1-CG 3.96Å; E820-L969 HydrophobicContact CG-CD1 4.01Å; I823-L969 HydrophobicContact CB-CD2 4.36Å; I823-L969 HydrophobicContact CG2-CD2 3.91Å; A824-L969 HydrophobicContact CB-CD2 4.15Å; L925-L969 HydrophobicContact CD1-CB 3.75Å; L925-L969 HydrophobicContact CD1-CD1 4.09Å; L928-L969 HydrophobicContact CD2-CD1 3.85Å; R965-L969 PolarHBondContact O-N 3.37Å; V966-L969 WeakPolarHBondContact O-CB 3.49Å; V966-L969 PolarHBondContact O-N 3.32Å; L969-I971 VanDerWaalsContact C-N 3.32Å; L969-I971 PolarHBondContact O-N 3.27Å; L969-V972 PolarHBondContact O-N 2.99Å; L969-H973 WeakPolarHBondContact O-CB 3.48Å; L969-H973 PolarHBondContact O-N 2.94Å |
| 970 | R | 92.7 | Very high | 91.4 | Very high | 142 Ų | 142 | 45.9 Ų | 45.9 | 54% | 0.536 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 174.6 | -73.4 | -175 | 66.4 | 86.2 | 6.2 | 112.7 | L925 E929 V966 A967 M968 R974 | L925-R970 HydrophobicContact CD2-CG 4.31Å; E929-R970 VanDerWaalsContact OE1-CD 3.23Å; E929-R970 WeakPolarHBondContact OE1-CD 3.25Å; E929-R970 IonicContact OE1-CZ 3.68Å; E929-R970 IonicContact OE1-NE 2.66Å; E929-R970 IonicContact OE1-NH1 2.73Å; E929-R970 PolarHBondContact OE1-NH1 2.87Å; E929-R970 IonicContact OE2-NH1 2.68Å; V966-R970 PolarHBondContact O-N 2.94Å; A967-R970 PolarHBondContact O-N 2.71Å; M968-R970 VanDerWaalsContact C-N 3.33Å; M968-R970 PolarHBondContact O-N 3.31Å; R970-R974 WeakPolarHBondContact O-CB 3.48Å; R970-R974 PolarHBondContact O-N 2.84Å; R970-R974 VanDerWaalsContact O-N 3.11Å |
| 971 | I | 90.9 | Very high | 91.4 | Very high | 60 Ų | 60 | 44.4 Ų | 44.4 | 31% | 0.308 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.8 | -48.4 | 178.7 | -64.7 | 165 | 0 | 0 | 0 | 110 | A967 M968 L969 H973 R974 R975 | A967-I971 WeakPolarHBondContact O-CG1 3.17Å; A967-I971 PolarHBondContact O-N 3.12Å; M968-I971 PolarHBondContact O-N 3.48Å; M968-I971 VanDerWaalsContact O-N 3.12Å; L969-I971 VanDerWaalsContact C-N 3.32Å; L969-I971 PolarHBondContact O-N 3.27Å; I971-H973 PolarHBondContact O-N 2.94Å; I971-R974 PolarHBondContact O-N 3.45Å; I971-R975 HydrophobicContact CG2-CG 4.36Å; I971-R975 WeakPolarHBondContact O-CB 3.26Å; I971-R975 WeakPolarHBondContact O-CG 3.3Å; I971-R975 PolarHBondContact O-N 3.14Å |
| 972 | V | 92.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 177.4 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | I567 F572 L575 L827 M968 L969 R974 R975 V976 | I567-V972 HydrophobicContact CD1-CB 4.18Å; I567-V972 HydrophobicContact CD1-CG1 4.47Å; I567-V972 HydrophobicContact CD1-CG2 3.87Å; F572-V972 HydrophobicContact CB-CG1 4.48Å; F572-V972 HydrophobicContact CB-CG2 3.9Å; F572-V972 HydrophobicContact CD1-CG1 3.46Å; F572-V972 VanDerWaalsContact CD1-CG1 3.46Å; F572-V972 HydrophobicContact CD1-CG2 4.39Å; F572-V972 HydrophobicContact CD2-CG1 4.03Å; F572-V972 HydrophobicContact CD2-CG2 3.98Å; F572-V972 HydrophobicContact CE1-CG1 3.43Å; F572-V972 VanDerWaalsContact CE1-CG1 3.43Å; F572-V972 HydrophobicContact CE2-CG1 4.02Å; F572-V972 HydrophobicContact CG-CG1 3.75Å; F572-V972 HydrophobicContact CG-CG2 3.86Å; F572-V972 HydrophobicContact CZ-CG1 3.72Å; L575-V972 HydrophobicContact CD1-CG1 4.38Å; L827-V972 HydrophobicContact CB-CG1 4.44Å; L827-V972 HydrophobicContact CD1-CG1 4.32Å; M968-V972 WeakPolarHBondContact O-CG2 3.3Å; M968-V972 PolarHBondContact O-N 2.87Å; L969-V972 PolarHBondContact O-N 2.99Å; V972-R974 PolarHBondContact O-N 2.93Å; V972-R975 PolarHBondContact O-N 3.23Å; V972-V976 HydrophobicContact CG1-CG2 4.09Å; V972-V976 WeakPolarHBondContact O-CB 3.33Å; V972-V976 VanDerWaalsContact O-CG2 3.27Å; V972-V976 WeakPolarHBondContact O-CG2 3.42Å; V972-V976 PolarHBondContact O-N 3.47Å |
| 973 | H | 93.8 | Very high | 91.1 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 12% | 0.12 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.3 | -48 | 175.8 | -177.1 | -71.6 | 0 | 0 | 0 | 111.8 | L827 T922 L925 L969 I971 C977 | L827-H973 HydrophobicContact CD1-CB 3.91Å; L827-H973 HydrophobicContact CD2-CB 4.47Å; T922-H973 PolarHBondContact OG1-CE1 3.15Å; T922-H973 PolarHBondContact OG1-NE2 2.98Å; L925-H973 HydrophobicContact CD2-CB 3.92Å; L969-H973 WeakPolarHBondContact O-CB 3.48Å; L969-H973 PolarHBondContact O-N 2.94Å; I971-H973 PolarHBondContact O-N 2.94Å; H973-C977 WeakPolarHBondContact O-CB 3.48Å; H973-C977 PolarHBondContact O-N 3.3Å; H973-C977 VanDerWaalsContact O-N 3.12Å; H973-C977 PolarHBondContact O-SG 3.12Å |
| 974 | R | 91.8 | Very high | 91 | Very high | 117 Ų | 117 | 40.5 Ų | 40.5 | 44% | 0.442 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.1 | -53 | 176.4 | 178.3 | -175 | -179.1 | 179.6 | 0.3 | 111.5 | D580 R970 I971 V972 C977 N978 | D580-R974 PolarHBondContact O-NE 3.15Å; D580-R974 PolarHBondContact O-NH2 2.81Å; R970-R974 WeakPolarHBondContact O-CB 3.48Å; R970-R974 PolarHBondContact O-N 2.84Å; R970-R974 VanDerWaalsContact O-N 3.11Å; I971-R974 PolarHBondContact O-N 3.45Å; V972-R974 PolarHBondContact O-N 2.93Å; R974-C977 PolarHBondContact O-N 2.89Å; R974-N978 WeakPolarHBondContact O-CB 3.29Å; R974-N978 VanDerWaalsContact O-CG 3.25Å; R974-N978 PolarHBondContact O-N 2.85Å |
| 975 | R | 91.6 | Very high | 90.8 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | -176.2 | -68.6 | -177.7 | -174.5 | -169.7 | -2 | 112.3 | L575 G576 E579 D580 I971 V972 N978 R979 | L575-R975 HydrophobicContact CB-CB 4.07Å; L575-R975 HydrophobicContact CD1-CB 3.89Å; L575-R975 PolarHBondContact O-NH1 2.93Å; G576-R975 VanDerWaalsContact O-CD 3.32Å; G576-R975 WeakPolarHBondContact O-CD 3.24Å; G576-R975 PolarHBondContact O-NE 2.94Å; G576-R975 PolarHBondContact O-NH1 3.48Å; G576-R975 VanDerWaalsContact O-NH1 3.11Å; E579-R975 HydrophobicContact CB-CB 4.01Å; E579-R975 HydrophobicContact CB-CG 4.02Å; D580-R975 VanDerWaalsContact CG-NE 3.32Å; D580-R975 WeakPolarHBondContact OD1-CG 3.41Å; D580-R975 IonicContact OD1-CZ 3.8Å; D580-R975 IonicContact OD1-NE 3.9Å; D580-R975 PolarHBondContact OD1-NE 3.39Å; D580-R975 IonicContact OD1-NH2 3.93Å; D580-R975 IonicContact OD2-CZ 3.12Å; D580-R975 IonicContact OD2-NE 2.77Å; D580-R975 PolarHBondContact OD2-NE 3.47Å; D580-R975 IonicContact OD2-NH2 3.59Å; D580-R975 PolarHBondContact OD2-NH2 2.98Å; I971-R975 HydrophobicContact CG2-CG 4.36Å; I971-R975 WeakPolarHBondContact O-CB 3.26Å; I971-R975 WeakPolarHBondContact O-CG 3.3Å; I971-R975 PolarHBondContact O-N 3.14Å; V972-R975 PolarHBondContact O-N 3.23Å; R975-N978 PolarHBondContact O-N 3.48Å; R975-R979 VanDerWaalsContact O-CB 3.23Å; R975-R979 WeakPolarHBondContact O-CB 3.41Å; R975-R979 PolarHBondContact O-N 3.14Å |
| 976 | V | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 175.8 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | F572 L575 L827 L830 K831 V972 R979 F980 | F572-V976 HydrophobicContact CD1-CG2 4.44Å; F572-V976 HydrophobicContact CE1-CG2 4.46Å; L575-V976 HydrophobicContact CD1-CG2 3.65Å; L827-V976 HydrophobicContact CD2-CB 4.43Å; L827-V976 HydrophobicContact CD2-CG1 4.32Å; L830-V976 HydrophobicContact CB-CG1 4.16Å; L830-V976 HydrophobicContact CD2-CG1 3.83Å; L830-V976 HydrophobicContact CG-CG1 4.03Å; K831-V976 HydrophobicContact CB-CG2 4.33Å; V972-V976 HydrophobicContact CG1-CG2 4.09Å; V972-V976 WeakPolarHBondContact O-CB 3.33Å; V972-V976 VanDerWaalsContact O-CG2 3.27Å; V972-V976 WeakPolarHBondContact O-CG2 3.42Å; V972-V976 PolarHBondContact O-N 3.47Å; V976-R979 PolarHBondContact O-N 2.83Å; V976-F980 PolarHBondContact O-N 3.13Å |
| 977 | C | 91.4 | Very high | 90.1 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 15% | 0.149 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.7 | -39.8 | 176.1 | -67.7 | 0 | 0 | 0 | 0 | 112.5 | H973 R974 F980 H981 | H973-C977 WeakPolarHBondContact O-CB 3.48Å; H973-C977 PolarHBondContact O-N 3.3Å; H973-C977 VanDerWaalsContact O-N 3.12Å; H973-C977 PolarHBondContact O-SG 3.12Å; R974-C977 PolarHBondContact O-N 2.89Å; C977-F980 WeakPolarHBondContact O-CB 3.32Å; C977-F980 PolarHBondContact O-N 3.45Å; C977-H981 PolarHBondContact O-CD2 3.1Å; C977-H981 PolarHBondContact O-N 3.48Å |
| 978 | N | 90.6 | Very high | 89.6 | Confident | 19 Ų | 19 | 42.4 Ų | 42.4 | 10% | 0.102 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 174.6 | -71.5 | -7 | 0 | 0 | 0 | 112.2 | E579 D580 D582 R974 R975 F980 H981 A982 | E579-N978 VanDerWaalsContact O-CB 3.23Å; E579-N978 WeakPolarHBondContact O-CB 3.37Å; E579-N978 PolarHBondContact O-ND2 3.19Å; D580-N978 PolarHBondContact O-ND2 3.13Å; D582-N978 PolarHBondContact N-ND2 3.2Å; R974-N978 WeakPolarHBondContact O-CB 3.29Å; R974-N978 VanDerWaalsContact O-CG 3.25Å; R974-N978 PolarHBondContact O-N 2.85Å; R975-N978 PolarHBondContact O-N 3.48Å; N978-F980 VanDerWaalsContact C-N 3.28Å; N978-F980 PolarHBondContact O-N 2.91Å; N978-H981 WeakPolarHBondContact O-CB 3.5Å; N978-H981 PolarHBondContact O-N 3.07Å; N978-A982 PolarHBondContact O-N 3.16Å |
| 979 | R | 89.8 | Confident | 89.3 | Confident | 50 Ų | 50 | 41 Ų | 41 | 19% | 0.189 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.1 | -34 | 171.8 | -171.6 | 179.7 | -175.5 | 121.1 | -28.4 | 111.4 | D574 E579 M834 E835 R975 V976 A982 F983 | D574-R979 IonicContact OD2-CZ 3.72Å; D574-R979 IonicContact OD2-NH1 3.54Å; D574-R979 IonicContact OD2-NH2 3.47Å; D574-R979 PolarHBondContact OD2-NH2 3.44Å; E579-R979 WeakPolarHBondContact OE1-CD 3.06Å; E579-R979 VanDerWaalsContact OE1-CG 3.26Å; E579-R979 WeakPolarHBondContact OE1-CG 3.33Å; E579-R979 IonicContact OE1-CZ 2.77Å; E579-R979 IonicContact OE1-NE 3.34Å; E579-R979 IonicContact OE1-NH1 2.75Å; E579-R979 PolarHBondContact OE1-NH1 2.94Å; E579-R979 IonicContact OE2-NH1 3.59Å; M834-R979 HydrophobicContact CE-CB 4.19Å; M834-R979 HydrophobicContact CE-CG 3.94Å; E835-R979 IonicContact OE1-CZ 3.62Å; E835-R979 IonicContact OE1-NE 2.74Å; E835-R979 IonicContact OE1-NH2 3.75Å; E835-R979 PolarHBondContact OE1-NH2 2.94Å; R975-R979 VanDerWaalsContact O-CB 3.23Å; R975-R979 WeakPolarHBondContact O-CB 3.41Å; R975-R979 PolarHBondContact O-N 3.14Å; V976-R979 PolarHBondContact O-N 2.83Å; R979-A982 PolarHBondContact O-N 2.93Å; R979-F983 VanDerWaalsContact O-CB 3.26Å; R979-F983 WeakPolarHBondContact O-CB 3.48Å; R979-F983 PolarHBondContact O-N 3.1Å |
| 980 | F | 91.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.7 | -42.9 | 170.6 | -179.7 | -100 | 0 | 0 | 0 | 112.6 | L830 M834 V976 C977 N978 A982 F983 L984 V997 I999 F1002 | L830-F980 HydrophobicContact CD1-CD2 4.09Å; M834-F980 HydrophobicContact CE-CB 4.42Å; M834-F980 WeakPolarHBondContact SD-CA 3.41Å; M834-F980 HydrophobicContact SD-CB 3.84Å; M834-F980 HydrophobicContact SD-CD2 3.95Å; M834-F980 HydrophobicContact SD-CG 4.4Å; V976-F980 PolarHBondContact O-N 3.13Å; C977-F980 WeakPolarHBondContact O-CB 3.32Å; C977-F980 PolarHBondContact O-N 3.45Å; N978-F980 VanDerWaalsContact C-N 3.28Å; N978-F980 PolarHBondContact O-N 2.91Å; F980-A982 PolarHBondContact O-N 3.5Å; F980-F983 HydrophobicContact CD2-CD1 4.46Å; F980-F983 WeakPolarHBondContact O-CB 3.37Å; F980-F983 PolarHBondContact O-N 3.29Å; F980-L984 HydrophobicContact CD1-CD1 4.18Å; F980-L984 HydrophobicContact CD1-CG 4.43Å; F980-L984 HydrophobicContact CE1-CD1 3.59Å; F980-L984 HydrophobicContact CE1-CD2 4.43Å; F980-L984 HydrophobicContact CE1-CG 4.01Å; F980-L984 HydrophobicContact CE2-CD2 4.44Å; F980-L984 HydrophobicContact CZ-CD1 4.01Å; F980-L984 HydrophobicContact CZ-CD2 4.02Å; F980-L984 HydrophobicContact CZ-CG 4.07Å; F980-L984 WeakPolarHBondContact O-CG 3.38Å; F980-L984 PolarHBondContact O-N 3.11Å; F980-V997 HydrophobicContact CZ-CG1 4.43Å; F980-I999 HydrophobicContact CD1-CD1 4.37Å; F980-I999 HydrophobicContact CD1-CG1 3.61Å; F980-I999 HydrophobicContact CE1-CB 4.36Å; F980-I999 HydrophobicContact CE1-CG1 3.55Å; F980-I999 HydrophobicContact CG-CG1 4.16Å; F980-I999 HydrophobicContact CZ-CB 4.44Å; F980-I999 HydrophobicContact CZ-CG1 4.07Å; F980-F1002 AromaticContact CE2-CD1 3.66Å; F980-F1002 HydrophobicContact CE2-CD1 3.66Å; F980-F1002 HydrophobicContact CE2-CE1 4.01Å; F980-F1002 HydrophobicContact CE2-CG 4.08Å; F980-F1002 HydrophobicContact CZ-CB 4.01Å; F980-F1002 AromaticContact CZ-CD1 3.99Å; F980-F1002 HydrophobicContact CZ-CD1 3.99Å; F980-F1002 AromaticContact CZ-CG 3.92Å; F980-F1002 HydrophobicContact CZ-CG 3.92Å |
| 981 | H | 89.5 | Confident | 88.2 | Confident | 43 Ų | 43 | 39.5 Ų | 39.5 | 20% | 0.199 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 171.7 | -63.2 | 173 | 0 | 0 | 0 | 111.9 | D582 L584 C977 N978 F983 L984 L985 | D582-H981 IonicContact OD1-CE1 3.61Å; D582-H981 IonicContact OD1-CG 2.66Å; D582-H981 IonicContact OD1-ND1 2.71Å; D582-H981 PolarHBondContact OD1-ND1 3.15Å; D582-H981 IonicContact OD2-CE1 3.76Å; D582-H981 IonicContact OD2-ND1 3.96Å; L584-H981 HydrophobicContact CD1-CB 3.77Å; L584-H981 WeakPolarHBondContact CD1-ND1 3.45Å; L584-H981 HydrophobicContact CG-CB 4.01Å; C977-H981 PolarHBondContact O-CD2 3.1Å; C977-H981 PolarHBondContact O-N 3.48Å; N978-H981 WeakPolarHBondContact O-CB 3.5Å; N978-H981 PolarHBondContact O-N 3.07Å; H981-F983 VanDerWaalsContact C-N 3.28Å; H981-F983 PolarHBondContact O-N 3.29Å; H981-L984 PolarHBondContact O-N 3.04Å; H981-L985 WeakPolarHBondContact O-CG 3.38Å; H981-L985 PolarHBondContact O-N 3.08Å |
| 982 | A | 87.5 | Confident | 87.8 | Confident | 30 Ų | 30 | 41.5 Ų | 41.5 | 25% | 0.248 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -35.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M583 N978 R979 F980 L985 Y986 | M583-A982 HydrophobicContact SD-CB 3.77Å; N978-A982 PolarHBondContact O-N 3.16Å; R979-A982 PolarHBondContact O-N 2.93Å; F980-A982 PolarHBondContact O-N 3.5Å; A982-L985 PolarHBondContact O-N 2.79Å; A982-Y986 PolarHBondContact O-N 3.34Å |
| 983 | F | 89.6 | Confident | 87.2 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 6% | 0.057 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.5 | -38 | 173.9 | 176.7 | -120.9 | 0 | 0 | 0 | 112.7 | M834 L837 V838 R979 F980 H981 Y986 L987 F1002 | M834-F983 HydrophobicContact CB-CD1 4.2Å; M834-F983 HydrophobicContact CB-CE1 4.44Å; M834-F983 HydrophobicContact CB-CG 4.3Å; M834-F983 HydrophobicContact CG-CB 4.44Å; M834-F983 HydrophobicContact CG-CD1 3.63Å; M834-F983 HydrophobicContact CG-CE1 4.05Å; M834-F983 HydrophobicContact CG-CG 4.07Å; M834-F983 HydrophobicContact SD-CB 3.78Å; M834-F983 HydrophobicContact SD-CD1 3.93Å; M834-F983 HydrophobicContact SD-CG 4.07Å; L837-F983 HydrophobicContact CB-CZ 3.91Å; L837-F983 HydrophobicContact CD1-CE1 3.77Å; L837-F983 HydrophobicContact CD1-CZ 3.55Å; L837-F983 HydrophobicContact CG-CZ 4.41Å; V838-F983 HydrophobicContact CG2-CD2 3.81Å; V838-F983 HydrophobicContact CG2-CE2 3.45Å; V838-F983 VanDerWaalsContact CG2-CE2 3.45Å; V838-F983 HydrophobicContact CG2-CZ 4.45Å; R979-F983 VanDerWaalsContact O-CB 3.26Å; R979-F983 WeakPolarHBondContact O-CB 3.48Å; R979-F983 PolarHBondContact O-N 3.1Å; F980-F983 HydrophobicContact CD2-CD1 4.46Å; F980-F983 WeakPolarHBondContact O-CB 3.37Å; F980-F983 PolarHBondContact O-N 3.29Å; H981-F983 VanDerWaalsContact C-N 3.28Å; H981-F983 PolarHBondContact O-N 3.29Å; F983-Y986 AromaticContact CD2-CD1 3.99Å; F983-Y986 HydrophobicContact CD2-CD1 3.99Å; F983-Y986 HydrophobicContact CE2-CD1 4.06Å; F983-Y986 HydrophobicContact CE2-CE1 4.46Å; F983-Y986 WeakPolarHBondContact O-CB 3.16Å; F983-Y986 PolarHBondContact O-N 2.96Å; F983-L987 HydrophobicContact CD1-CD1 4.13Å; F983-L987 HydrophobicContact CD2-CG 4.4Å; F983-L987 HydrophobicContact CE1-CD1 3.63Å; F983-L987 HydrophobicContact CE1-CG 4.44Å; F983-L987 HydrophobicContact CE2-CD1 4.05Å; F983-L987 HydrophobicContact CE2-CD2 4.19Å; F983-L987 HydrophobicContact CE2-CG 3.96Å; F983-L987 HydrophobicContact CZ-CD1 3.58Å; F983-L987 HydrophobicContact CZ-CD2 4.19Å; F983-L987 HydrophobicContact CZ-CG 3.99Å; F983-L987 WeakPolarHBondContact O-CG 3.39Å; F983-L987 PolarHBondContact O-N 2.93Å; F983-F1002 HydrophobicContact CD1-CZ 4.5Å; F983-F1002 AromaticContact CE1-CE1 3.97Å; F983-F1002 HydrophobicContact CE1-CE1 3.97Å; F983-F1002 AromaticContact CE1-CZ 3.74Å; F983-F1002 HydrophobicContact CE1-CZ 3.74Å |
| 984 | L | 88.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 171 | -68.5 | -179.1 | 0 | 0 | 0 | 111.8 | F980 H981 Y986 L987 G988 Y989 A994 V997 F1002 | F980-L984 HydrophobicContact CD1-CD1 4.18Å; F980-L984 HydrophobicContact CD1-CG 4.43Å; F980-L984 HydrophobicContact CE1-CD1 3.59Å; F980-L984 HydrophobicContact CE1-CD2 4.43Å; F980-L984 HydrophobicContact CE1-CG 4.01Å; F980-L984 HydrophobicContact CE2-CD2 4.44Å; F980-L984 HydrophobicContact CZ-CD1 4.01Å; F980-L984 HydrophobicContact CZ-CD2 4.02Å; F980-L984 HydrophobicContact CZ-CG 4.07Å; F980-L984 WeakPolarHBondContact O-CG 3.38Å; F980-L984 PolarHBondContact O-N 3.11Å; H981-L984 PolarHBondContact O-N 3.04Å; L984-Y986 VanDerWaalsContact C-N 3.35Å; L984-Y986 PolarHBondContact O-N 3.07Å; L984-L987 HydrophobicContact CD2-CD1 4.47Å; L984-L987 CarbonylContact O-C 3.55Å; L984-L987 PolarHBondContact O-N 3.07Å; L984-G988 PolarHBondContact O-N 3.41Å; L984-Y989 HydrophobicContact CB-CD2 4.19Å; L984-Y989 HydrophobicContact CB-CG 4.35Å; L984-Y989 HydrophobicContact CD2-CD2 4Å; L984-Y989 HydrophobicContact CD2-CE2 3.99Å; L984-Y989 WeakPolarHBondContact O-CB 3.46Å; L984-Y989 WeakPolarHBondContact O-CD2 3.2Å; L984-Y989 PolarHBondContact O-N 3.48Å; L984-A994 HydrophobicContact CB-CB 4.1Å; L984-A994 HydrophobicContact CD1-CB 4.2Å; L984-V997 HydrophobicContact CD1-CB 3.84Å; L984-V997 HydrophobicContact CD1-CG1 3.9Å; L984-V997 HydrophobicContact CD2-CG1 4.14Å; L984-F1002 HydrophobicContact CD2-CD2 3.9Å; L984-F1002 HydrophobicContact CD2-CE2 3.8Å; L984-F1002 HydrophobicContact CD2-CZ 4.46Å |
| 985 | L | 86.4 | Confident | 86.3 | Confident | 49 Ų | 49 | 41.3 Ų | 41.3 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 172.7 | -65.5 | 177.1 | 0 | 0 | 0 | 111.6 | M583 L584 H981 A982 L987 G988 P991 | M583-L985 HydrophobicContact CB-CD1 4.14Å; L584-L985 HydrophobicContact CD2-CD1 3.95Å; L584-L985 HydrophobicContact CD2-CD2 3.86Å; L584-L985 HydrophobicContact CD2-CG 4.03Å; H981-L985 WeakPolarHBondContact O-CG 3.38Å; H981-L985 PolarHBondContact O-N 3.08Å; A982-L985 PolarHBondContact O-N 2.79Å; L985-L987 VanDerWaalsContact C-N 3.28Å; L985-L987 PolarHBondContact O-N 2.96Å; L985-G988 PolarHBondContact O-N 3.39Å; L985-P991 HydrophobicContact CD2-CG 4.25Å |
| 986 | Y | 85.6 | Confident | 86 | Confident | 145 Ų | 145 | 47.9 Ų | 47.9 | 57% | 0.569 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.6 | -33 | 173.8 | 169.1 | -95.1 | 0 | 0 | 0 | 113.1 | V838 R844 A982 F983 L984 G988 | V838-Y986 HydrophobicContact CG2-CE1 4.16Å; R844-Y986 PolarHBondContact NH2-OH 2.93Å; A982-Y986 PolarHBondContact O-N 3.34Å; F983-Y986 AromaticContact CD2-CD1 3.99Å; F983-Y986 HydrophobicContact CD2-CD1 3.99Å; F983-Y986 HydrophobicContact CE2-CD1 4.06Å; F983-Y986 HydrophobicContact CE2-CE1 4.46Å; F983-Y986 WeakPolarHBondContact O-CB 3.16Å; F983-Y986 PolarHBondContact O-N 2.96Å; L984-Y986 VanDerWaalsContact C-N 3.35Å; L984-Y986 PolarHBondContact O-N 3.07Å; Y986-G988 PolarHBondContact O-N 3.44Å |
| 987 | L | 82.9 | Confident | 85.7 | Confident | 36 Ų | 36 | 49.5 Ų | 49.5 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -4.7 | 172.8 | -70.3 | 172.4 | 0 | 0 | 0 | 113.8 | L867 F983 L984 L985 Y989 F1002 | L867-L987 HydrophobicContact CD1-CB 4.44Å; L867-L987 HydrophobicContact CD1-CD2 4.44Å; L867-L987 HydrophobicContact CD2-CD1 3.97Å; L867-L987 HydrophobicContact CD2-CD2 4.3Å; F983-L987 HydrophobicContact CD1-CD1 4.13Å; F983-L987 HydrophobicContact CD2-CG 4.4Å; F983-L987 HydrophobicContact CE1-CD1 3.63Å; F983-L987 HydrophobicContact CE1-CG 4.44Å; F983-L987 HydrophobicContact CE2-CD1 4.05Å; F983-L987 HydrophobicContact CE2-CD2 4.19Å; F983-L987 HydrophobicContact CE2-CG 3.96Å; F983-L987 HydrophobicContact CZ-CD1 3.58Å; F983-L987 HydrophobicContact CZ-CD2 4.19Å; F983-L987 HydrophobicContact CZ-CG 3.99Å; F983-L987 WeakPolarHBondContact O-CG 3.39Å; F983-L987 PolarHBondContact O-N 2.93Å; L984-L987 HydrophobicContact CD2-CD1 4.47Å; L984-L987 CarbonylContact O-C 3.55Å; L984-L987 PolarHBondContact O-N 3.07Å; L985-L987 VanDerWaalsContact C-N 3.28Å; L985-L987 PolarHBondContact O-N 2.96Å; L987-Y989 HydrophobicContact CB-CD2 4.08Å; L987-Y989 HydrophobicContact CB-CE2 4.26Å; L987-F1002 HydrophobicContact CD1-CE2 3.81Å; L987-F1002 HydrophobicContact CD1-CZ 3.68Å |
| 988 | G | 79.9 | Confident | 85.6 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 66% | 0.66 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | 15.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L984 L985 Y986 | L984-G988 PolarHBondContact O-N 3.41Å; L985-G988 PolarHBondContact O-N 3.39Å; Y986-G988 PolarHBondContact O-N 3.44Å |
| 989 | Y | 83.2 | Confident | 85.7 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 8% | 0.082 | 28% | 0.281 | C | S | . | . | trans | -69.7 | 147.4 | 169.5 | -74.1 | -99.3 | 0 | 0 | 0 | 111 | E866 L867 L984 L987 A993 V997 | E866-Y989 HydrophobicContact CG-CD1 4.17Å; E866-Y989 HydrophobicContact CG-CE1 3.36Å; L867-Y989 HydrophobicContact CD1-CE2 4.34Å; L867-Y989 PolarHBondContact N-OH 2.87Å; L984-Y989 HydrophobicContact CB-CD2 4.19Å; L984-Y989 HydrophobicContact CB-CG 4.35Å; L984-Y989 HydrophobicContact CD2-CD2 4Å; L984-Y989 HydrophobicContact CD2-CE2 3.99Å; L984-Y989 WeakPolarHBondContact O-CB 3.46Å; L984-Y989 WeakPolarHBondContact O-CD2 3.2Å; L984-Y989 PolarHBondContact O-N 3.48Å; L987-Y989 HydrophobicContact CB-CD2 4.08Å; L987-Y989 HydrophobicContact CB-CE2 4.26Å; Y989-A993 HydrophobicContact CD1-CB 4.2Å; Y989-V997 HydrophobicContact CD1-CG2 3.94Å; Y989-V997 HydrophobicContact CE1-CG2 3.59Å | ||
| 990 | T | 82.1 | Confident | 85.8 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 47% | 0.466 | 29% | 0.291 | S | S | . | . | trans | -74.4 | 157.2 | 172.7 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | Q992 A993 A994 | T990-Q992 PolarHBondContact O-N 3.22Å; T990-A993 PolarHBondContact O-N 2.9Å; T990-A993 WeakPolarHBondContact OG1-CB 3.46Å; T990-A993 PolarHBondContact OG1-N 2.97Å; T990-A994 WeakPolarHBondContact O-CB 3.32Å; T990-A994 PolarHBondContact O-N 2.88Å | ||
| 991 | P | 79.8 | Confident | 85.8 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 23% | 0.234 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.8 | 178.9 | -25 | 35.1 | 0 | 0 | 0 | 114.7 | L584 L985 R995 | L584-P991 HydrophobicContact CD2-CB 4.12Å; L985-P991 HydrophobicContact CD2-CG 4.25Å; P991-R995 PolarHBondContact O-NH1 3.38Å |
| 992 | Q | 81.8 | Confident | 85.9 | Confident | 101 Ų | 101 | 61 Ų | 61 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -53.1 | 173.4 | -63.4 | 71.2 | 28.3 | 0 | 0 | 110.4 | E587 T990 A994 R995 | E587-Q992 PolarHBondContact OE2-NE2 3.36Å; T990-Q992 PolarHBondContact O-N 3.22Å; Q992-A994 VanDerWaalsContact C-N 3.28Å; Q992-A994 PolarHBondContact O-N 3.01Å; Q992-R995 WeakPolarHBondContact O-CB 3.43Å; Q992-R995 PolarHBondContact O-N 3.04Å |
| 993 | A | 81.4 | Confident | 86.2 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.3 | -35.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y989 T990 R995 E996 V997 | Y989-A993 HydrophobicContact CD1-CB 4.2Å; T990-A993 PolarHBondContact O-N 2.9Å; T990-A993 WeakPolarHBondContact OG1-CB 3.46Å; T990-A993 PolarHBondContact OG1-N 2.97Å; A993-R995 PolarHBondContact O-N 3.12Å; A993-R995 VanDerWaalsContact O-N 3.15Å; A993-E996 PolarHBondContact O-N 3.36Å; A993-V997 WeakPolarHBondContact O-CG2 3.48Å; A993-V997 PolarHBondContact O-N 3.5Å |
| 994 | A | 83.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -19.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L584 L984 T990 Q992 | L584-A994 HydrophobicContact CD1-CB 4.19Å; L584-A994 HydrophobicContact CD2-CB 3.91Å; L984-A994 HydrophobicContact CB-CB 4.1Å; L984-A994 HydrophobicContact CD1-CB 4.2Å; T990-A994 WeakPolarHBondContact O-CB 3.32Å; T990-A994 PolarHBondContact O-N 2.88Å; Q992-A994 VanDerWaalsContact C-N 3.28Å; Q992-A994 PolarHBondContact O-N 3.01Å |
| 995 | R | 82.7 | Confident | 86.7 | Confident | 114 Ų | 114 | 63.9 Ų | 63.9 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -84.4 | -20.4 | 173 | -65 | 178 | 163.8 | 98.3 | -12.1 | 113.5 | L584 N585 P991 Q992 A993 | L584-R995 HydrophobicContact CD1-CG 3.72Å; L584-R995 PolarHBondContact O-NH1 3.36Å; L584-R995 PolarHBondContact O-NH2 3.05Å; N585-R995 PolarHBondContact OD1-NH2 3.33Å; P991-R995 PolarHBondContact O-NH1 3.38Å; Q992-R995 WeakPolarHBondContact O-CB 3.43Å; Q992-R995 PolarHBondContact O-N 3.04Å; A993-R995 PolarHBondContact O-N 3.12Å; A993-R995 VanDerWaalsContact O-N 3.15Å |
| 996 | E | 84.6 | Confident | 87 | Confident | 158 Ų | 158 | 61.7 Ų | 61.7 | 74% | 0.738 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -92.9 | -24.7 | -176.8 | -62.5 | 179.3 | 173.2 | 0 | 0 | 111.9 | A993 R998 | A993-E996 PolarHBondContact O-N 3.36Å; E996-R998 PolarHBondContact O-N 2.96Å |
| 997 | V | 87.1 | Confident | 87.4 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | trans | -71.4 | 109 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | F980 L984 Y989 A993 F1002 | F980-V997 HydrophobicContact CZ-CG1 4.43Å; L984-V997 HydrophobicContact CD1-CB 3.84Å; L984-V997 HydrophobicContact CD1-CG1 3.9Å; L984-V997 HydrophobicContact CD2-CG1 4.14Å; Y989-V997 HydrophobicContact CD1-CG2 3.94Å; Y989-V997 HydrophobicContact CE1-CG2 3.59Å; A993-V997 WeakPolarHBondContact O-CG2 3.48Å; A993-V997 PolarHBondContact O-N 3.5Å; V997-F1002 HydrophobicContact CG1-CB 3.92Å; V997-F1002 HydrophobicContact CG1-CD2 4.24Å; V997-F1002 HydrophobicContact CG1-CG 4.47Å | ||
| 998 | R | 90.4 | Very high | 88 | Confident | 145 Ų | 145 | 58 Ų | 58 | 55% | 0.547 | 29% | 0.292 | S | S | . | . | trans | -77.7 | 133.4 | 173.2 | -68.9 | -165 | -87.7 | -176 | -5.6 | 111.9 | E919 E996 M1000 Q1001 F1002 | E919-R998 WeakPolarHBondContact OE1-CD 3.48Å; E919-R998 IonicContact OE1-CZ 2.69Å; E919-R998 IonicContact OE1-NE 3.15Å; E919-R998 IonicContact OE1-NH1 3.36Å; E919-R998 PolarHBondContact OE1-NH1 2.9Å; E996-R998 PolarHBondContact O-N 2.96Å; R998-M1000 VanDerWaalsContact C-N 3.33Å; R998-M1000 PolarHBondContact O-N 3.47Å; R998-Q1001 HydrophobicContact CB-CB 4.4Å; R998-Q1001 PolarHBondContact O-N 3.42Å; R998-F1002 PolarHBondContact O-N 2.99Å | ||
| 999 | I | 92.1 | Very high | 88.7 | Confident | 24 Ų | 24 | 55 Ų | 55 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -49.1 | -50.4 | -178.8 | -63.2 | 165.8 | 0 | 0 | 0 | 111.9 | L830 F918 F980 Q1001 F1002 C1003 | L830-I999 HydrophobicContact CD1-CG2 3.82Å; L830-I999 HydrophobicContact CD2-CD1 4.01Å; L830-I999 HydrophobicContact CD2-CG1 4.47Å; L830-I999 HydrophobicContact CD2-CG2 3.7Å; L830-I999 HydrophobicContact CG-CG2 4.42Å; F918-I999 HydrophobicContact CB-CB 4.49Å; F918-I999 HydrophobicContact CB-CD1 4.2Å; F918-I999 HydrophobicContact CD1-CD1 4.13Å; F918-I999 HydrophobicContact CD1-CG2 4.21Å; F918-I999 HydrophobicContact CD2-CB 4.03Å; F918-I999 HydrophobicContact CD2-CG2 3.56Å; F918-I999 HydrophobicContact CE1-CG2 4.2Å; F918-I999 HydrophobicContact CE2-CB 4.49Å; F918-I999 HydrophobicContact CE2-CG2 3.55Å; F918-I999 HydrophobicContact CG-CB 4.17Å; F918-I999 HydrophobicContact CG-CD1 4.13Å; F918-I999 HydrophobicContact CG-CG2 3.92Å; F918-I999 HydrophobicContact CZ-CG2 3.88Å; F980-I999 HydrophobicContact CD1-CD1 4.37Å; F980-I999 HydrophobicContact CD1-CG1 3.61Å; F980-I999 HydrophobicContact CE1-CB 4.36Å; F980-I999 HydrophobicContact CE1-CG1 3.55Å; F980-I999 HydrophobicContact CG-CG1 4.16Å; F980-I999 HydrophobicContact CZ-CB 4.44Å; F980-I999 HydrophobicContact CZ-CG1 4.07Å; I999-Q1001 PolarHBondContact O-N 3.39Å; I999-F1002 PolarHBondContact O-N 2.99Å; I999-C1003 PolarHBondContact O-N 2.99Å; I999-C1003 PolarHBondContact O-SG 2.86Å |
| 1000 | M | 91.2 | Very high | 89.3 | Confident | 85 Ų | 85 | 54 Ų | 54 | 42% | 0.419 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | -179 | -173.1 | -171.2 | 73.3 | 0 | 0 | 111.6 | R998 C1003 H1004 | R998-M1000 VanDerWaalsContact C-N 3.33Å; R998-M1000 PolarHBondContact O-N 3.47Å; M1000-C1003 PolarHBondContact O-N 3.47Å; M1000-H1004 VanDerWaalsContact O-CB 3.32Å; M1000-H1004 WeakPolarHBondContact O-CB 3.46Å; M1000-H1004 PolarHBondContact O-N 3.39Å |
| 1001 | Q | 91.8 | Very high | 89.9 | Confident | 112 Ų | 112 | 52.7 Ų | 52.7 | 52% | 0.523 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66 | -44.1 | 179.8 | -172.9 | 173.5 | -0.2 | 0 | 0 | 111.4 | R998 I999 C1003 H1004 T1005 | R998-Q1001 HydrophobicContact CB-CB 4.4Å; R998-Q1001 PolarHBondContact O-N 3.42Å; I999-Q1001 PolarHBondContact O-N 3.39Å; Q1001-C1003 PolarHBondContact O-N 3.39Å; Q1001-H1004 PolarHBondContact O-N 2.92Å; Q1001-T1005 PolarHBondContact O-N 2.95Å; Q1001-T1005 PolarHBondContact O-OG1 3.44Å |
| 1002 | F | 92.9 | Very high | 90.5 | Very high | 12 Ų | 12 | 54.4 Ų | 54.4 | 5% | 0.053 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.6 | -47 | 173.7 | 176.9 | -90.1 | 0 | 0 | 0 | 112.2 | L837 L867 F980 F983 L984 L987 V997 R998 I999 H1004 L1006 | L837-F1002 HydrophobicContact CD1-CE1 4.26Å; L837-F1002 HydrophobicContact CD1-CZ 4.35Å; L867-F1002 HydrophobicContact CD2-CE2 4.03Å; L867-F1002 HydrophobicContact CD2-CZ 4.29Å; F980-F1002 AromaticContact CE2-CD1 3.66Å; F980-F1002 HydrophobicContact CE2-CD1 3.66Å; F980-F1002 HydrophobicContact CE2-CE1 4.01Å; F980-F1002 HydrophobicContact CE2-CG 4.08Å; F980-F1002 HydrophobicContact CZ-CB 4.01Å; F980-F1002 AromaticContact CZ-CD1 3.99Å; F980-F1002 HydrophobicContact CZ-CD1 3.99Å; F980-F1002 AromaticContact CZ-CG 3.92Å; F980-F1002 HydrophobicContact CZ-CG 3.92Å; F983-F1002 HydrophobicContact CD1-CZ 4.5Å; F983-F1002 AromaticContact CE1-CE1 3.97Å; F983-F1002 HydrophobicContact CE1-CE1 3.97Å; F983-F1002 AromaticContact CE1-CZ 3.74Å; F983-F1002 HydrophobicContact CE1-CZ 3.74Å; L984-F1002 HydrophobicContact CD2-CD2 3.9Å; L984-F1002 HydrophobicContact CD2-CE2 3.8Å; L984-F1002 HydrophobicContact CD2-CZ 4.46Å; L987-F1002 HydrophobicContact CD1-CE2 3.81Å; L987-F1002 HydrophobicContact CD1-CZ 3.68Å; V997-F1002 HydrophobicContact CG1-CB 3.92Å; V997-F1002 HydrophobicContact CG1-CD2 4.24Å; V997-F1002 HydrophobicContact CG1-CG 4.47Å; R998-F1002 PolarHBondContact O-N 2.99Å; I999-F1002 PolarHBondContact O-N 2.99Å; F1002-H1004 VanDerWaalsContact C-N 3.32Å; F1002-H1004 PolarHBondContact O-N 3.49Å; F1002-L1006 HydrophobicContact CD1-CD1 4.09Å; F1002-L1006 HydrophobicContact CE1-CD1 3.46Å; F1002-L1006 VanDerWaalsContact CE1-CD1 3.46Å; F1002-L1006 HydrophobicContact CE2-CD1 4.32Å; F1002-L1006 HydrophobicContact CZ-CD1 3.59Å; F1002-L1006 PolarHBondContact O-N 3.36Å |
| 1003 | C | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.4 | -37.1 | 176.7 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | C913 A914 I999 M1000 Q1001 R1007 | C913-C1003 HydrophobicContact CB-CB 4.19Å; A914-C1003 HydrophobicContact CB-CB 3.91Å; I999-C1003 PolarHBondContact O-N 2.99Å; I999-C1003 PolarHBondContact O-SG 2.86Å; M1000-C1003 PolarHBondContact O-N 3.47Å; Q1001-C1003 PolarHBondContact O-N 3.39Å; C1003-R1007 VanDerWaalsContact O-CB 3.27Å; C1003-R1007 WeakPolarHBondContact O-CB 3.4Å; C1003-R1007 PolarHBondContact O-N 3.47Å |
| 1004 | H | 93.8 | Very high | 91.7 | Very high | 84 Ų | 84 | 51.5 Ų | 51.5 | 39% | 0.389 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.5 | -51.1 | 178.5 | -167 | -84 | 0 | 0 | 0 | 112.3 | M1000 Q1001 F1002 L1006 R1007 E1008 | M1000-H1004 VanDerWaalsContact O-CB 3.32Å; M1000-H1004 WeakPolarHBondContact O-CB 3.46Å; M1000-H1004 PolarHBondContact O-N 3.39Å; Q1001-H1004 PolarHBondContact O-N 2.92Å; F1002-H1004 VanDerWaalsContact C-N 3.32Å; F1002-H1004 PolarHBondContact O-N 3.49Å; H1004-L1006 VanDerWaalsContact C-N 3.28Å; H1004-L1006 PolarHBondContact O-N 2.99Å; H1004-R1007 PolarHBondContact O-N 3.06Å; H1004-R1007 VanDerWaalsContact O-N 3.11Å; H1004-E1008 VanDerWaalsContact CE1-CG 3.5Å; H1004-E1008 WeakPolarHBondContact CE1-CG 3.37Å; H1004-E1008 IonicContact CE1-OE1 2.66Å; H1004-E1008 IonicContact NE2-OE1 2.73Å; H1004-E1008 PolarHBondContact O-N 2.97Å |
| 1005 | T | 93.4 | Very high | 92.2 | Very high | 19 Ų | 19 | 53.5 Ų | 53.5 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.6 | -41.9 | 177.5 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | L870 E871 Q1001 F1009 | L870-T1005 HydrophobicContact CB-CG2 4.47Å; E871-T1005 HydrophobicContact CB-CG2 4.38Å; Q1001-T1005 PolarHBondContact O-N 2.95Å; Q1001-T1005 PolarHBondContact O-OG1 3.44Å; T1005-F1009 VanDerWaalsContact O-CB 3.25Å; T1005-F1009 WeakPolarHBondContact O-CB 3.47Å; T1005-F1009 PolarHBondContact O-N 2.89Å |
| 1006 | L | 93.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.7 | -39.6 | 175.4 | -78 | 176.1 | 0 | 0 | 0 | 113.6 | L837 F843 L867 L870 L910 F1002 H1004 A1010 | L837-L1006 HydrophobicContact CD1-CD1 3.63Å; L837-L1006 HydrophobicContact CD2-CD1 4.31Å; F843-L1006 HydrophobicContact CE2-CD2 3.7Å; F843-L1006 HydrophobicContact CZ-CD2 3.81Å; L867-L1006 HydrophobicContact CD2-CD2 4.33Å; L870-L1006 HydrophobicContact CD1-CD2 3.75Å; L910-L1006 HydrophobicContact CD1-CD1 4.3Å; F1002-L1006 HydrophobicContact CD1-CD1 4.09Å; F1002-L1006 HydrophobicContact CE1-CD1 3.46Å; F1002-L1006 VanDerWaalsContact CE1-CD1 3.46Å; F1002-L1006 HydrophobicContact CE2-CD1 4.32Å; F1002-L1006 HydrophobicContact CZ-CD1 3.59Å; F1002-L1006 PolarHBondContact O-N 3.36Å; H1004-L1006 VanDerWaalsContact C-N 3.28Å; H1004-L1006 PolarHBondContact O-N 2.99Å; L1006-A1010 VanDerWaalsContact O-CB 3.26Å; L1006-A1010 WeakPolarHBondContact O-CB 3.24Å; L1006-A1010 PolarHBondContact O-N 3.46Å |
| 1007 | R | 94.4 | Very high | 93 | Very high | 43 Ų | 43 | 43.2 Ų | 43.2 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -47.2 | 177.6 | 176.5 | -176.5 | 145.3 | -93.6 | -22.4 | 111.4 | Y904 T911 A914 C1003 H1004 A1010 L1011 | Y904-R1007 HydrophobicContact CE2-CG 4.24Å; T911-R1007 HydrophobicContact CG2-CG 4.26Å; A914-R1007 HydrophobicContact CB-CB 4.01Å; A914-R1007 HydrophobicContact CB-CG 4.42Å; C1003-R1007 VanDerWaalsContact O-CB 3.27Å; C1003-R1007 WeakPolarHBondContact O-CB 3.4Å; C1003-R1007 PolarHBondContact O-N 3.47Å; H1004-R1007 PolarHBondContact O-N 3.06Å; H1004-R1007 VanDerWaalsContact O-N 3.11Å; R1007-A1010 PolarHBondContact O-N 2.92Å; R1007-L1011 WeakPolarHBondContact O-CB 3.34Å; R1007-L1011 PolarHBondContact O-N 3.45Å; R1007-L1011 VanDerWaalsContact O-N 3.07Å |
| 1008 | E | 94.7 | Very high | 93.2 | Very high | 60 Ų | 60 | 45.6 Ų | 45.6 | 28% | 0.28 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.6 | -44.4 | 179.3 | -62 | -53.1 | 154.8 | 0 | 0 | 111.5 | H1004 A1010 L1011 E1012 | H1004-E1008 VanDerWaalsContact CE1-CG 3.5Å; H1004-E1008 WeakPolarHBondContact CE1-CG 3.37Å; H1004-E1008 IonicContact CE1-OE1 2.66Å; H1004-E1008 IonicContact NE2-OE1 2.73Å; H1004-E1008 PolarHBondContact O-N 2.97Å; E1008-A1010 VanDerWaalsContact C-N 3.28Å; E1008-A1010 PolarHBondContact O-N 3.09Å; E1008-L1011 WeakPolarHBondContact O-CB 3.37Å; E1008-L1011 PolarHBondContact O-N 3.33Å; E1008-E1012 PolarHBondContact O-N 3.22Å |
| 1009 | F | 95.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.1 | -40.8 | 174.2 | 175 | -99.5 | 0 | 0 | 0 | 112.4 | I846 L870 V873 L886 L889 L903 T1005 L1011 Y1013 | I846-F1009 HydrophobicContact CG2-CE1 3.9Å; I846-F1009 HydrophobicContact CG2-CZ 3.69Å; L870-F1009 HydrophobicContact CB-CB 4.1Å; L870-F1009 HydrophobicContact CB-CD1 4.48Å; L870-F1009 HydrophobicContact CB-CD2 3.79Å; L870-F1009 HydrophobicContact CB-CE2 4.36Å; L870-F1009 HydrophobicContact CB-CG 3.84Å; L870-F1009 HydrophobicContact CD1-CD1 4.18Å; L870-F1009 HydrophobicContact CD1-CG 4.32Å; L870-F1009 HydrophobicContact CD2-CD1 4.33Å; L870-F1009 HydrophobicContact CD2-CD2 4.2Å; L870-F1009 HydrophobicContact CD2-CE1 4.12Å; L870-F1009 HydrophobicContact CD2-CE2 3.96Å; L870-F1009 HydrophobicContact CD2-CG 4.38Å; L870-F1009 HydrophobicContact CD2-CZ 3.93Å; L870-F1009 HydrophobicContact CG-CD2 4.49Å; L870-F1009 HydrophobicContact CG-CG 4.41Å; L870-F1009 WeakPolarHBondContact O-CD2 3.24Å; V873-F1009 HydrophobicContact CB-CE2 4.24Å; V873-F1009 HydrophobicContact CG1-CE2 4.36Å; V873-F1009 HydrophobicContact CG2-CE2 4.5Å; L886-F1009 HydrophobicContact CD1-CE2 3.85Å; L886-F1009 HydrophobicContact CD1-CZ 4.23Å; L889-F1009 HydrophobicContact CD2-CZ 4.48Å; L903-F1009 HydrophobicContact CD2-CD1 4.1Å; L903-F1009 HydrophobicContact CD2-CE1 4.01Å; T1005-F1009 VanDerWaalsContact O-CB 3.25Å; T1005-F1009 WeakPolarHBondContact O-CB 3.47Å; T1005-F1009 PolarHBondContact O-N 2.89Å; F1009-L1011 VanDerWaalsContact C-N 3.34Å; F1009-Y1013 WeakPolarHBondContact O-CB 3.33Å; F1009-Y1013 PolarHBondContact O-N 3.23Å |
| 1010 | A | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67 | -34.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L903 Y904 I907 L1006 R1007 E1008 R1014 | L903-A1010 HydrophobicContact CB-CB 4.39Å; L903-A1010 HydrophobicContact CD2-CB 3.92Å; L903-A1010 HydrophobicContact CG-CB 3.86Å; Y904-A1010 HydrophobicContact CD2-CB 4.11Å; I907-A1010 HydrophobicContact CD1-CB 3.79Å; L1006-A1010 VanDerWaalsContact O-CB 3.26Å; L1006-A1010 WeakPolarHBondContact O-CB 3.24Å; L1006-A1010 PolarHBondContact O-N 3.46Å; R1007-A1010 PolarHBondContact O-N 2.92Å; E1008-A1010 VanDerWaalsContact C-N 3.28Å; E1008-A1010 PolarHBondContact O-N 3.09Å; A1010-R1014 WeakPolarHBondContact O-CB 3.47Å; A1010-R1014 PolarHBondContact O-N 2.94Å |
| 1011 | L | 94.1 | Very high | 92.9 | Very high | 47 Ų | 47 | 44.5 Ų | 44.5 | 25% | 0.246 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.3 | -43.6 | 176.3 | -173 | 65 | 0 | 0 | 0 | 111.7 | Y904 R1007 E1008 F1009 R1014 T1015 | Y904-L1011 HydrophobicContact CD2-CB 4.01Å; Y904-L1011 HydrophobicContact CD2-CD1 4.18Å; Y904-L1011 HydrophobicContact CE2-CB 4.05Å; Y904-L1011 HydrophobicContact CE2-CD1 3.94Å; R1007-L1011 WeakPolarHBondContact O-CB 3.34Å; R1007-L1011 PolarHBondContact O-N 3.45Å; R1007-L1011 VanDerWaalsContact O-N 3.07Å; E1008-L1011 WeakPolarHBondContact O-CB 3.37Å; E1008-L1011 PolarHBondContact O-N 3.33Å; F1009-L1011 VanDerWaalsContact C-N 3.34Å; L1011-R1014 VanDerWaalsContact CD1-NH2 3.27Å; L1011-T1015 WeakPolarHBondContact O-CG2 3.23Å; L1011-T1015 PolarHBondContact O-N 3.14Å; L1011-T1015 PolarHBondContact O-OG1 2.83Å |
| 1012 | E | 93.3 | Very high | 92.6 | Very high | 73 Ų | 73 | 44 Ų | 44 | 34% | 0.341 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63 | -45.8 | 171.6 | -67.5 | -161.5 | 141.1 | 0 | 0 | 111.5 | S874 L886 E1008 R1014 T1015 C1016 | S874-E1012 WeakPolarHBondContact CB-OE2 3.08Å; S874-E1012 PolarHBondContact OG-OE1 2.83Å; S874-E1012 PolarHBondContact OG-OE2 3.37Å; L886-E1012 HydrophobicContact CD2-CB 3.72Å; E1008-E1012 PolarHBondContact O-N 3.22Å; E1012-R1014 PolarHBondContact O-N 3.5Å; E1012-T1015 PolarHBondContact O-N 2.98Å; E1012-T1015 PolarHBondContact O-OG1 3.18Å; E1012-T1015 VanDerWaalsContact O-OG1 3.11Å; E1012-C1016 WeakPolarHBondContact O-CB 3.41Å; E1012-C1016 PolarHBondContact O-N 3.21Å |
| 1013 | Y | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.4 | -46 | 178.3 | 177.2 | -93.5 | 0 | 0 | 0 | 111.4 | T842 I846 L886 C890 V893 D902 L903 F1009 C1016 R1017 | T842-Y1013 HydrophobicContact CG2-CE1 4.48Å; I846-Y1013 HydrophobicContact CD1-CD1 3.98Å; I846-Y1013 HydrophobicContact CD1-CD2 3.88Å; I846-Y1013 HydrophobicContact CD1-CE1 3.68Å; I846-Y1013 HydrophobicContact CD1-CE2 3.57Å; I846-Y1013 HydrophobicContact CD1-CG 4.1Å; I846-Y1013 VanDerWaalsContact CD1-CZ 3.47Å; I846-Y1013 HydrophobicContact CG1-CD2 4.31Å; I846-Y1013 HydrophobicContact CG1-CE2 3.71Å; L886-Y1013 HydrophobicContact CD1-CD2 4.09Å; C890-Y1013 HydrophobicContact CB-CE2 4.38Å; C890-Y1013 WeakPolarHBondContact SG-CD2 3.29Å; C890-Y1013 WeakPolarHBondContact SG-CE2 3.41Å; V893-Y1013 WeakPolarHBondContact CG1-OH 3.48Å; D902-Y1013 WeakPolarHBondContact O-CD1 3.34Å; L903-Y1013 HydrophobicContact CB-CD1 3.88Å; L903-Y1013 HydrophobicContact CB-CE1 4.26Å; F1009-Y1013 WeakPolarHBondContact O-CB 3.33Å; F1009-Y1013 PolarHBondContact O-N 3.23Å; Y1013-C1016 PolarHBondContact O-N 3.22Å; Y1013-R1017 HydrophobicContact CE1-CB 4.4Å; Y1013-R1017 WeakPolarHBondContact O-CB 3.43Å; Y1013-R1017 PolarHBondContact O-N 3.37Å |
| 1014 | R | 93.9 | Very high | 91.7 | Very high | 65 Ų | 65 | 51.3 Ų | 51.3 | 25% | 0.245 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.8 | -57.8 | 174.4 | 175.8 | 174.1 | 83.4 | -157.3 | 1.1 | 111.6 | D902 A1010 L1011 E1012 C1016 R1017 E1018 | D902-R1014 HydrophobicContact CB-CB 4.11Å; D902-R1014 HydrophobicContact CB-CG 3.89Å; D902-R1014 WeakPolarHBondContact OD2-CD 3.3Å; A1010-R1014 WeakPolarHBondContact O-CB 3.47Å; A1010-R1014 PolarHBondContact O-N 2.94Å; L1011-R1014 VanDerWaalsContact CD1-NH2 3.27Å; E1012-R1014 PolarHBondContact O-N 3.5Å; R1014-C1016 VanDerWaalsContact C-N 3.26Å; R1014-C1016 PolarHBondContact O-N 2.84Å; R1014-R1017 PolarHBondContact O-N 3.32Å; R1014-E1018 WeakPolarHBondContact CG-OE1 3.15Å; R1014-E1018 WeakPolarHBondContact O-CG 3.49Å; R1014-E1018 PolarHBondContact O-N 3.3Å |
| 1015 | T | 93.3 | Very high | 91.2 | Very high | 44 Ų | 44 | 53.3 Ų | 53.3 | 27% | 0.27 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.1 | -31.1 | -176 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | L1011 E1012 R1019 | L1011-T1015 WeakPolarHBondContact O-CG2 3.23Å; L1011-T1015 PolarHBondContact O-N 3.14Å; L1011-T1015 PolarHBondContact O-OG1 2.83Å; E1012-T1015 PolarHBondContact O-N 2.98Å; E1012-T1015 PolarHBondContact O-OG1 3.18Å; E1012-T1015 VanDerWaalsContact O-OG1 3.11Å; T1015-R1019 WeakPolarHBondContact O-CD 3.49Å; T1015-R1019 WeakPolarHBondContact O-CG 3.45Å; T1015-R1019 PolarHBondContact O-N 2.95Å |
| 1016 | C | 92.6 | Very high | 90.5 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 7% | 0.068 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73 | -43 | 174.4 | -158.2 | 0 | 0 | 0 | 0 | 112.2 | L886 H887 E1012 Y1013 R1014 E1018 R1019 V1020 | L886-C1016 HydrophobicContact CD2-CB 3.92Å; L886-C1016 HydrophobicContact CG-CB 3.98Å; H887-C1016 VanDerWaalsContact CA-SG 3.54Å; E1012-C1016 WeakPolarHBondContact O-CB 3.41Å; E1012-C1016 PolarHBondContact O-N 3.21Å; Y1013-C1016 PolarHBondContact O-N 3.22Å; R1014-C1016 VanDerWaalsContact C-N 3.26Å; R1014-C1016 PolarHBondContact O-N 2.84Å; C1016-E1018 PolarHBondContact O-N 2.95Å; C1016-R1019 PolarHBondContact O-N 3.16Å; C1016-V1020 WeakPolarHBondContact O-CG2 3.33Å; C1016-V1020 PolarHBondContact O-N 2.93Å |
| 1017 | R | 92.1 | Very high | 89.6 | Confident | 45 Ų | 45 | 60.3 Ų | 60.3 | 17% | 0.17 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 174.9 | -179.8 | -175.1 | 169.5 | -77.2 | 1 | 111.6 | L894 S900 S901 Y1013 R1014 V1020 L1021 | L894-R1017 HydrophobicContact CD1-CG 4.21Å; L894-R1017 HydrophobicContact CD2-CG 4.31Å; L894-R1017 HydrophobicContact CG-CG 4.48Å; S900-R1017 VanDerWaalsContact O-CZ 3.3Å; S900-R1017 PolarHBondContact O-NE 3.48Å; S900-R1017 VanDerWaalsContact O-NE 3.16Å; S900-R1017 PolarHBondContact O-NH2 3.44Å; S901-R1017 VanDerWaalsContact O-CD 3.27Å; S901-R1017 WeakPolarHBondContact O-CD 3.43Å; S901-R1017 PolarHBondContact O-NE 3.22Å; S901-R1017 VanDerWaalsContact O-NE 3.07Å; Y1013-R1017 HydrophobicContact CE1-CB 4.4Å; Y1013-R1017 WeakPolarHBondContact O-CB 3.43Å; Y1013-R1017 PolarHBondContact O-N 3.37Å; R1014-R1017 PolarHBondContact O-N 3.32Å; R1017-V1020 PolarHBondContact O-N 3.06Å; R1017-L1021 HydrophobicContact CG-CD1 4.25Å; R1017-L1021 WeakPolarHBondContact O-CG 3.47Å; R1017-L1021 PolarHBondContact O-N 3.27Å |
| 1018 | E | 92.1 | Very high | 88.7 | Confident | 83 Ų | 83 | 60.2 Ų | 60.2 | 39% | 0.388 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 174.2 | -74.3 | 167.2 | -168.4 | 0 | 0 | 112 | R1014 C1016 V1020 L1021 Q1022 | R1014-E1018 WeakPolarHBondContact CG-OE1 3.15Å; R1014-E1018 WeakPolarHBondContact O-CG 3.49Å; R1014-E1018 PolarHBondContact O-N 3.3Å; C1016-E1018 PolarHBondContact O-N 2.95Å; E1018-V1020 VanDerWaalsContact C-N 3.32Å; E1018-V1020 PolarHBondContact O-N 2.81Å; E1018-L1021 PolarHBondContact O-N 2.58Å; E1018-Q1022 WeakPolarHBondContact O-CG 3.07Å; E1018-Q1022 PolarHBondContact O-N 3.27Å |
| 1019 | R | 89.1 | Confident | 87.6 | Confident | 161 Ų | 161 | 60.8 Ų | 60.8 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.6 | -41 | 175.3 | -69.7 | 165.5 | -172.6 | 163.4 | 3.7 | 112 | T1015 C1016 Q1023 | T1015-R1019 WeakPolarHBondContact O-CD 3.49Å; T1015-R1019 WeakPolarHBondContact O-CG 3.45Å; T1015-R1019 PolarHBondContact O-N 2.95Å; C1016-R1019 PolarHBondContact O-N 3.16Å; R1019-Q1023 WeakPolarHBondContact O-CB 3.28Å; R1019-Q1023 PolarHBondContact O-N 3.2Å |
| 1020 | V | 88.9 | Confident | 86.4 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 175 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | H887 C890 S891 L894 C1016 R1017 E1018 Q1023 Q1024 | H887-V1020 VanDerWaalsContact ND1-CG2 3.34Å; H887-V1020 WeakPolarHBondContact ND1-CG2 3.39Å; C890-V1020 HydrophobicContact CB-CG2 3.98Å; S891-V1020 WeakPolarHBondContact OG-CG1 3.27Å; L894-V1020 HydrophobicContact CD1-CB 4.29Å; L894-V1020 HydrophobicContact CD1-CG1 3.65Å; C1016-V1020 WeakPolarHBondContact O-CG2 3.33Å; C1016-V1020 PolarHBondContact O-N 2.93Å; R1017-V1020 PolarHBondContact O-N 3.06Å; E1018-V1020 VanDerWaalsContact C-N 3.32Å; E1018-V1020 PolarHBondContact O-N 2.81Å; V1020-Q1023 PolarHBondContact O-N 2.95Å; V1020-Q1024 HydrophobicContact CG1-CG 4.4Å; V1020-Q1024 VanDerWaalsContact CG1-NE2 3.31Å; V1020-Q1024 WeakPolarHBondContact O-CG 3.38Å; V1020-Q1024 PolarHBondContact O-N 3.45Å |
| 1021 | L | 87.8 | Confident | 85.3 | Confident | 69 Ų | 69 | 74.1 Ų | 74.1 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 178.9 | -74.7 | 170 | 0 | 0 | 0 | 112 | L894 R1017 E1018 Q1023 Q1024 Q1025 | L894-L1021 HydrophobicContact CD1-CD2 3.84Å; L894-L1021 HydrophobicContact CD1-CG 3.87Å; L894-L1021 HydrophobicContact CD2-CD2 4.05Å; L894-L1021 HydrophobicContact CD2-CG 4.42Å; R1017-L1021 HydrophobicContact CG-CD1 4.25Å; R1017-L1021 WeakPolarHBondContact O-CG 3.47Å; R1017-L1021 PolarHBondContact O-N 3.27Å; E1018-L1021 PolarHBondContact O-N 2.58Å; L1021-Q1023 VanDerWaalsContact C-N 3.33Å; L1021-Q1023 PolarHBondContact O-N 2.96Å; L1021-Q1024 PolarHBondContact O-N 2.98Å; L1021-Q1025 WeakPolarHBondContact O-CB 3.42Å; L1021-Q1025 PolarHBondContact O-N 3.4Å |
| 1022 | Q | 87 | Confident | 84.2 | Confident | 102 Ų | 102 | 77.5 Ų | 77.5 | 48% | 0.477 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 174.1 | -70.2 | 174.6 | 12.9 | 0 | 0 | 111.8 | E1018 Q1025 K1026 | E1018-Q1022 WeakPolarHBondContact O-CG 3.07Å; E1018-Q1022 PolarHBondContact O-N 3.27Å; Q1022-Q1025 PolarHBondContact O-N 2.9Å; Q1022-K1026 WeakPolarHBondContact O-CG 3.45Å; Q1022-K1026 PolarHBondContact O-N 3.28Å |
| 1023 | Q | 83.6 | Confident | 83 | Confident | 83 Ų | 83 | 81.6 Ų | 81.6 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 178.1 | -166.9 | 178.4 | 27 | 0 | 0 | 112.3 | H887 R1019 V1020 L1021 Q1027 | H887-Q1023 PolarHBondContact CE1-OE1 2.7Å; H887-Q1023 VanDerWaalsContact CE1-OE1 3.27Å; R1019-Q1023 WeakPolarHBondContact O-CB 3.28Å; R1019-Q1023 PolarHBondContact O-N 3.2Å; V1020-Q1023 PolarHBondContact O-N 2.95Å; L1021-Q1023 VanDerWaalsContact C-N 3.33Å; L1021-Q1023 PolarHBondContact O-N 2.96Å; Q1023-Q1027 WeakPolarHBondContact O-CG 3.49Å; Q1023-Q1027 PolarHBondContact O-N 3.13Å |
| 1024 | Q | 84.2 | Confident | 81.5 | Confident | 82 Ų | 82 | 84.6 Ų | 84.6 | 38% | 0.383 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 173.5 | -72.1 | -171.5 | 39.9 | 0 | 0 | 111.3 | V1020 L1021 Q1027 A1028 | V1020-Q1024 HydrophobicContact CG1-CG 4.4Å; V1020-Q1024 VanDerWaalsContact CG1-NE2 3.31Å; V1020-Q1024 WeakPolarHBondContact O-CG 3.38Å; V1020-Q1024 PolarHBondContact O-N 3.45Å; L1021-Q1024 PolarHBondContact O-N 2.98Å; Q1024-Q1027 PolarHBondContact O-N 3.06Å; Q1024-A1028 WeakPolarHBondContact O-CB 3.5Å; Q1024-A1028 PolarHBondContact O-N 2.67Å |
| 1025 | Q | 81.4 | Confident | 80.6 | Confident | 125 Ų | 125 | 88.5 Ų | 88.5 | 58% | 0.584 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.5 | -45.3 | 176.6 | -171.3 | 62.8 | 21.5 | 0 | 0 | 112 | L1021 Q1022 Q1027 A1028 T1029 | L1021-Q1025 WeakPolarHBondContact O-CB 3.42Å; L1021-Q1025 PolarHBondContact O-N 3.4Å; Q1022-Q1025 PolarHBondContact O-N 2.9Å; Q1025-Q1027 VanDerWaalsContact C-N 3.29Å; Q1025-Q1027 PolarHBondContact O-N 3.06Å; Q1025-A1028 PolarHBondContact O-N 3.47Å; Q1025-A1028 VanDerWaalsContact O-N 3.16Å; Q1025-T1029 PolarHBondContact O-N 2.88Å; Q1025-T1029 PolarHBondContact O-OG1 3.2Å |
| 1026 | K | 79.8 | Confident | 79.2 | Confident | 86 Ų | 86 | 90.9 Ų | 90.9 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 173.4 | -76 | -173 | 176.7 | -172.6 | 0 | 112.1 | Q1022 T1029 Y1030 E1132 | Q1022-K1026 WeakPolarHBondContact O-CG 3.45Å; Q1022-K1026 PolarHBondContact O-N 3.28Å; K1026-T1029 PolarHBondContact O-OG1 3.39Å; K1026-Y1030 VanDerWaalsContact O-CB 3.28Å; K1026-Y1030 WeakPolarHBondContact O-CB 3.2Å; K1026-Y1030 PolarHBondContact O-N 2.86Å; K1026-E1132 IonicContact NZ-OE2 2.63Å; K1026-E1132 PolarHBondContact NZ-OE2 3.18Å |
| 1027 | Q | 75.2 | Confident | 76.8 | Confident | 84 Ų | 84 | 98.1 Ų | 98.1 | 39% | 0.393 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -71.3 | -35.5 | 174.3 | -74.1 | -174.6 | 42.2 | 0 | 0 | 113.1 | Q1023 Q1024 Q1025 R1031 | Q1023-Q1027 WeakPolarHBondContact O-CG 3.49Å; Q1023-Q1027 PolarHBondContact O-N 3.13Å; Q1024-Q1027 PolarHBondContact O-N 3.06Å; Q1025-Q1027 VanDerWaalsContact C-N 3.29Å; Q1025-Q1027 PolarHBondContact O-N 3.06Å; Q1027-R1031 WeakPolarHBondContact O-CB 3.39Å; Q1027-R1031 WeakPolarHBondContact O-CD 3.5Å; Q1027-R1031 WeakPolarHBondContact O-CG 3.33Å; Q1027-R1031 PolarHBondContact O-N 3.22Å |
| 1028 | A | 74.9 | Confident | 74.8 | Confident | 40 Ų | 40 | 98.1 Ų | 98.1 | 33% | 0.331 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.5 | -52.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1024 Q1025 Y1030 R1031 E1032 | Q1024-A1028 WeakPolarHBondContact O-CB 3.5Å; Q1024-A1028 PolarHBondContact O-N 2.67Å; Q1025-A1028 PolarHBondContact O-N 3.47Å; Q1025-A1028 VanDerWaalsContact O-N 3.16Å; A1028-Y1030 VanDerWaalsContact C-N 3.32Å; A1028-Y1030 PolarHBondContact O-N 2.83Å; A1028-R1031 WeakPolarHBondContact O-CB 3.41Å; A1028-R1031 PolarHBondContact O-N 2.69Å; A1028-R1031 VanDerWaalsContact O-N 3.1Å; A1028-E1032 PolarHBondContact O-N 3.11Å |
| 1029 | T | 71.9 | Confident | 72.9 | Confident | 72 Ų | 72 | 103.2 Ų | 103.2 | 44% | 0.442 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -37.3 | 178.7 | 58 | 0 | 0 | 0 | 0 | 112.2 | Q1025 K1026 E1032 R1033 | Q1025-T1029 PolarHBondContact O-N 2.88Å; Q1025-T1029 PolarHBondContact O-OG1 3.2Å; K1026-T1029 PolarHBondContact O-OG1 3.39Å; T1029-E1032 PolarHBondContact O-N 3.29Å; T1029-R1033 WeakPolarHBondContact O-CB 3.21Å; T1029-R1033 PolarHBondContact O-N 3.37Å |
| 1030 | Y | 70 | Confident | 70.7 | Confident | 130 Ų | 130 | 101.7 Ų | 101.7 | 51% | 0.51 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 172.2 | 179.6 | -91.2 | 0 | 0 | 0 | 112.5 | K1026 A1028 E1032 R1033 N1034 | K1026-Y1030 VanDerWaalsContact O-CB 3.28Å; K1026-Y1030 WeakPolarHBondContact O-CB 3.2Å; K1026-Y1030 PolarHBondContact O-N 2.86Å; A1028-Y1030 VanDerWaalsContact C-N 3.32Å; A1028-Y1030 PolarHBondContact O-N 2.83Å; Y1030-E1032 VanDerWaalsContact C-N 3.34Å; Y1030-E1032 PolarHBondContact O-N 2.85Å; Y1030-R1033 PolarHBondContact O-N 3.38Å; Y1030-N1034 WeakPolarHBondContact CE1-ND2 3.27Å; Y1030-N1034 VanDerWaalsContact CZ-ND2 3.28Å; Y1030-N1034 PolarHBondContact O-N 3.23Å; Y1030-N1034 PolarHBondContact OH-ND2 3.19Å |
| 1031 | R | 70.9 | Confident | 68.9 | Low | 153 Ų | 153 | 107.8 Ų | 107.8 | 58% | 0.577 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -39.1 | 176.9 | -72.5 | 166.4 | -166.6 | -169.6 | 8.2 | 111.6 | Q1027 A1028 N1034 K1035 | Q1027-R1031 WeakPolarHBondContact O-CB 3.39Å; Q1027-R1031 WeakPolarHBondContact O-CD 3.5Å; Q1027-R1031 WeakPolarHBondContact O-CG 3.33Å; Q1027-R1031 PolarHBondContact O-N 3.22Å; A1028-R1031 WeakPolarHBondContact O-CB 3.41Å; A1028-R1031 PolarHBondContact O-N 2.69Å; A1028-R1031 VanDerWaalsContact O-N 3.1Å; R1031-N1034 PolarHBondContact O-N 3.42Å; R1031-K1035 WeakPolarHBondContact O-CG 3.37Å; R1031-K1035 PolarHBondContact O-N 3.08Å |
| 1032 | E | 71.6 | Confident | 66.7 | Low | 119 Ų | 119 | 109.5 Ų | 109.5 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.3 | -46.1 | 175 | -69.2 | -171.3 | 142.2 | 0 | 0 | 112.2 | A1028 T1029 Y1030 N1034 K1035 T1036 | A1028-E1032 PolarHBondContact O-N 3.11Å; T1029-E1032 PolarHBondContact O-N 3.29Å; Y1030-E1032 VanDerWaalsContact C-N 3.34Å; Y1030-E1032 PolarHBondContact O-N 2.85Å; E1032-N1034 PolarHBondContact O-N 3.41Å; E1032-K1035 WeakPolarHBondContact O-CB 3.48Å; E1032-K1035 PolarHBondContact O-N 2.99Å; E1032-T1036 PolarHBondContact O-N 3.06Å; E1032-T1036 PolarHBondContact O-OG1 3.17Å |
| 1033 | R | 67.4 | Low | 64.6 | Low | 158 Ų | 158 | 111.3 Ų | 111.3 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -56.7 | -36.8 | 175.3 | -162.9 | 177.5 | 77 | 165.7 | 3 | 112.1 | T1029 Y1030 R1037 | T1029-R1033 WeakPolarHBondContact O-CB 3.21Å; T1029-R1033 PolarHBondContact O-N 3.37Å; Y1030-R1033 PolarHBondContact O-N 3.38Å; R1033-R1037 WeakPolarHBondContact O-CB 3.25Å; R1033-R1037 WeakPolarHBondContact O-CG 3.48Å; R1033-R1037 PolarHBondContact O-N 3.44Å |
| 1034 | N | 64.4 | Low | 62.6 | Low | 64 Ų | 64 | 112.6 Ų | 112.6 | 34% | 0.342 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.4 | -36.8 | 175.3 | -76.1 | 4 | 0 | 0 | 0 | 113.2 | Y1030 R1031 E1032 T1036 R1037 G1038 | Y1030-N1034 WeakPolarHBondContact CE1-ND2 3.27Å; Y1030-N1034 VanDerWaalsContact CZ-ND2 3.28Å; Y1030-N1034 PolarHBondContact O-N 3.23Å; Y1030-N1034 PolarHBondContact OH-ND2 3.19Å; R1031-N1034 PolarHBondContact O-N 3.42Å; E1032-N1034 PolarHBondContact O-N 3.41Å; N1034-T1036 VanDerWaalsContact C-N 3.3Å; N1034-T1036 PolarHBondContact O-N 3.47Å; N1034-R1037 PolarHBondContact O-N 3.1Å; N1034-G1038 PolarHBondContact O-N 3.39Å; N1034-G1038 VanDerWaalsContact O-N 3.14Å |
| 1035 | K | 75.1 | Confident | 60.5 | Low | 147 Ų | 147 | 117 Ų | 117 | 64% | 0.639 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.1 | -41.1 | 170.6 | -72.8 | 171.4 | -177.2 | 175.7 | 0 | 111.6 | R1031 E1032 | R1031-K1035 WeakPolarHBondContact O-CG 3.37Å; R1031-K1035 PolarHBondContact O-N 3.08Å; E1032-K1035 WeakPolarHBondContact O-CB 3.48Å; E1032-K1035 PolarHBondContact O-N 2.99Å |
| 1036 | T | 62.4 | Low | 58.6 | Low | 93 Ų | 93 | 119.6 Ų | 119.6 | 57% | 0.571 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -72.1 | -43.6 | 179.3 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | E1032 N1034 G1038 R1039 | E1032-T1036 PolarHBondContact O-N 3.06Å; E1032-T1036 PolarHBondContact O-OG1 3.17Å; N1034-T1036 VanDerWaalsContact C-N 3.3Å; N1034-T1036 PolarHBondContact O-N 3.47Å; T1036-G1038 PolarHBondContact O-N 3.32Å; T1036-R1039 PolarHBondContact O-N 3.3Å; T1036-R1039 VanDerWaalsContact O-N 3.15Å |
| 1037 | R | 43.9 | Very low | 56.3 | Low | 163 Ų | 163 | 125 Ų | 125 | 62% | 0.615 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -56.9 | -33.6 | 174.5 | -80 | 173.8 | 63.4 | 101.6 | -3 | 113.1 | R1033 N1034 R1039 | R1033-R1037 WeakPolarHBondContact O-CB 3.25Å; R1033-R1037 WeakPolarHBondContact O-CG 3.48Å; R1033-R1037 PolarHBondContact O-N 3.44Å; N1034-R1037 PolarHBondContact O-N 3.1Å; R1037-R1039 VanDerWaalsContact C-N 3.34Å; R1037-R1039 PolarHBondContact O-N 3.49Å |
| 1038 | G | 48.3 | Very low | 54.3 | Low | 44 Ų | 44 | 126.4 Ų | 126.4 | 45% | 0.454 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.5 | -24.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1034 T1036 | N1034-G1038 PolarHBondContact O-N 3.39Å; N1034-G1038 VanDerWaalsContact O-N 3.14Å; T1036-G1038 PolarHBondContact O-N 3.32Å |
| 1039 | R | 52.3 | Low | 52.2 | Low | 190 Ų | 190 | 127.7 Ų | 127.7 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -79.9 | -35.7 | -176.3 | -68.3 | -171.7 | 178.5 | -160.8 | -0.6 | 113.8 | T1036 R1037 I1041 T1042 | T1036-R1039 PolarHBondContact O-N 3.3Å; T1036-R1039 VanDerWaalsContact O-N 3.15Å; R1037-R1039 VanDerWaalsContact C-N 3.34Å; R1037-R1039 PolarHBondContact O-N 3.49Å; R1039-I1041 PolarHBondContact O-N 3.1Å; R1039-T1042 PolarHBondContact O-N 2.8Å; R1039-T1042 PolarHBondContact O-OG1 3.02Å; R1039-T1042 VanDerWaalsContact O-OG1 3.07Å |
| 1040 | M | 44.4 | Very low | 50.2 | Low | 130 Ų | 130 | 131.1 Ų | 131.1 | 64% | 0.64 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -13.2 | -176.2 | -55.8 | -165.3 | -48.7 | 0 | 0 | 113.8 | ||
| 1041 | I | 49.6 | Very low | 48.4 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 66% | 0.662 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -22.1 | -178.1 | -62.8 | 174.6 | 0 | 0 | 0 | 111.7 | R1039 | R1039-I1041 PolarHBondContact O-N 3.1Š|
| 1042 | T | 43.4 | Very low | 46.3 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 64% | 0.644 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 0.1 | -176.8 | 46.2 | 0 | 0 | 0 | 0 | 115 | R1039 | R1039-T1042 PolarHBondContact O-N 2.8Å; R1039-T1042 PolarHBondContact O-OG1 3.02Å; R1039-T1042 VanDerWaalsContact O-OG1 3.07Å |
| 1043 | E | 42.2 | Very low | 44.4 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 65% | 0.654 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -20.7 | -175.5 | -66.2 | -177.2 | 159.8 | 0 | 0 | 113.2 | E1045 K1046 | E1043-E1045 VanDerWaalsContact C-N 3.32Å; E1043-E1045 PolarHBondContact O-N 3.44Å; E1043-K1046 PolarHBondContact O-N 3.11Å |
| 1044 | T | 41.1 | Very low | 42.5 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -71.2 | -17.6 | -179.8 | 36.9 | 0 | 0 | 0 | 0 | 115.1 | K1046 | T1044-K1046 VanDerWaalsContact C-N 3.3Å; T1044-K1046 PolarHBondContact O-N 2.98Å |
| 1045 | E | 40.9 | Very low | 41.9 | Very low | 174 Ų | 174 | 129.1 Ų | 129.1 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -80.9 | -1.5 | 178.7 | -65.8 | -167.8 | 142.1 | 0 | 0 | 114.4 | E1043 | E1043-E1045 VanDerWaalsContact C-N 3.32Å; E1043-E1045 PolarHBondContact O-N 3.44Å |
| 1046 | K | 40.2 | Very low | 39.6 | Very low | 179 Ų | 179 | 128.1 Ų | 128.1 | 78% | 0.778 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -109.6 | 5.1 | -173.4 | -77.1 | -173 | 174.5 | 178.9 | 0 | 116.4 | E1043 T1044 | E1043-K1046 PolarHBondContact O-N 3.11Å; T1044-K1046 VanDerWaalsContact C-N 3.3Å; T1044-K1046 PolarHBondContact O-N 2.98Å |
| 1047 | F | 32.1 | Very low | 38 | Very low | 199 Ų | 199 | 131.5 Ų | 131.5 | 87% | 0.873 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -126.1 | 33.2 | -174 | -86.3 | -77.9 | 0 | 0 | 0 | 115.3 | ||
| 1048 | S | 34.3 | Very low | 38.5 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -131.3 | 82.3 | 170 | 64.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1049 | G | 30.5 | Very low | 37.3 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 179.4 | 143.3 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1050 | V | 29.3 | Very low | 36.1 | Very low | 144 Ų | 144 | 130 Ų | 130 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | trans | 64.7 | 97.3 | -176.9 | -169.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1051 | A | 31.5 | Very low | 36.1 | Very low | 99 Ų | 99 | 129 Ų | 129 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | 73.5 | 144.7 | 50.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1052 | G | 28.6 | Very low | 35 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -109.4 | -169.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1053 | E | 29.9 | Very low | 34.3 | Very low | 203 Ų | 203 | 128.2 Ų | 128.2 | 95% | 0.949 | 79% | 0.787 | S | S | * | * | trans | 71.4 | 153.8 | 179.5 | -56 | -163.2 | 138.9 | 0 | 0 | 117.6 | ||||
| 1054 | A | 27.7 | Very low | 33.6 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -168.2 | -174.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1055 | P | 53.3 | Low | 32.9 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | cis | -127.7 | 172 | -16.5 | 39.4 | -25.3 | 0 | 0 | 0 | 113.1 | ||||
| 1056 | S | 26.2 | Very low | 32.4 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | trans | -161.8 | 149.4 | 147.7 | -3.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1057 | N | 28.3 | Very low | 31.7 | Very low | 164 Ų | 164 | 119.6 Ų | 119.6 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -54.6 | 173 | -169.9 | -87 | -12.8 | 0 | 0 | 0 | 120.5 | ||||
| 1058 | P | 53.6 | Low | 32.3 | Very low | 110 Ų | 110 | 116.7 Ų | 116.7 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | trans | -111.6 | 174.2 | -157.1 | 42.5 | -35.1 | 0 | 0 | 0 | 115.8 | ||||
| 1059 | S | 23.3 | Very low | 31.9 | Very low | 123 Ų | 123 | 115.1 Ų | 115.1 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -143.5 | 142.1 | 160.3 | -76.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1060 | V | 27.2 | Very low | 31.9 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -130.7 | -169.1 | 173.9 | -123.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1061 | P | 45.5 | Very low | 31.9 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | -136.3 | -156.7 | -7.8 | 22.2 | 6.1 | 0 | 0 | 0 | 113.8 | ||||
| 1062 | V | 26 | Very low | 31.8 | Very low | 135 Ų | 135 | 124 Ų | 124 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | 90.5 | 133.9 | 151.9 | -177.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1063 | A | 27.8 | Very low | 31.9 | Very low | 82 Ų | 82 | 124.8 Ų | 124.8 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | cis | -173.2 | -165.6 | -19.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1064 | V | 29 | Very low | 32 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | cis | -153.5 | 152.3 | 4.5 | -154.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 1065 | S | 25.8 | Very low | 32.2 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 58.4 | 146.6 | 152.9 | 51.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1066 | S | 30.2 | Very low | 31.2 | Very low | 116 Ų | 116 | 125.1 Ų | 125.1 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | cis | -165.4 | 149.1 | -4 | 40.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 1067 | G | 26.4 | Very low | 31.3 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | cis | 106.8 | 143.6 | 18.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1068 | P | 42.8 | Very low | 31.5 | Very low | 138 Ų | 138 | 120.2 Ų | 120.2 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | cis | -124.7 | 167.6 | -11.7 | 41.2 | -26.9 | 0 | 0 | 0 | 114.2 | ||||
| 1069 | G | 27.5 | Very low | 30.4 | Very low | 82 Ų | 82 | 122.2 Ų | 122.2 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | 175.4 | 90.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1070 | R | 30.7 | Very low | 30.6 | Very low | 261 Ų | 261 | 125.1 Ų | 125.1 | 99% | 0.985 | 78% | 0.78 | S | S | * | * | trans | -53.9 | 126.6 | 174.6 | -176.7 | -172.5 | -157.4 | -97.9 | 6.4 | 114.9 | ||||
| 1071 | G | 27.8 | Very low | 30.6 | Very low | 70 Ų | 70 | 123.8 Ų | 123.8 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 164.3 | 139.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1072 | D | 29.6 | Very low | 30 | Very low | 166 Ų | 166 | 125.7 Ų | 125.7 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -73.3 | 165.6 | -167.4 | -51.3 | -67.1 | 0 | 0 | 0 | 118 | ||||
| 1073 | A | 31.8 | Very low | 30 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | trans | 74.8 | 126.8 | 147.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1074 | D | 32.1 | Very low | 29.8 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | 60.3 | 79.6 | 137 | -56.9 | -17.9 | 0 | 0 | 0 | 122.2 | ||||
| 1075 | S | 31.3 | Very low | 29.7 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | 44.6 | 104.2 | 108 | -58.5 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1076 | H | 33.1 | Very low | 29.6 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | 63.8 | 111.3 | 142.5 | -54.4 | -57 | 0 | 0 | 0 | 117.9 | ||||
| 1077 | A | 28.3 | Very low | 30.4 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | cis | 55.4 | 137.5 | 30.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1078 | S | 31 | Very low | 30.3 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | cis | -178.1 | 161.3 | 9.8 | 131.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1079 | M | 32.2 | Very low | 29.4 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | cis | -164.5 | 153 | -14.3 | -104.6 | -171.9 | -69.9 | 0 | 0 | 110.5 | ||||
| 1080 | K | 26.9 | Very low | 29.3 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | 19.5 | 124.8 | 134.7 | -60.6 | 175.6 | -179.7 | 176.3 | 0 | 118.9 | ||||
| 1081 | S | 27.8 | Very low | 29 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | 86.9 | 150.9 | 85.2 | -143.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1082 | L | 31.3 | Very low | 29.1 | Very low | 147 Ų | 147 | 138 Ų | 138 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | cis | -145.8 | 154.4 | 29.2 | -79.1 | 158.2 | 0 | 0 | 0 | 114.5 | ||||
| 1083 | L | 26.4 | Very low | 28.9 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | 17.2 | 138.2 | 142.6 | -52.9 | 174.1 | 0 | 0 | 0 | 123.4 | ||||
| 1084 | T | 24.3 | Very low | 28.5 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 92% | 0.92 | 76% | 0.76 | S | S | * | * | -170.1 | 176.8 | 124.7 | 15 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1085 | S | 25.5 | Very low | 28.1 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -155.2 | 150.1 | -162.4 | 58.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 1086 | R | 25.1 | Very low | 27.9 | Very low | 228 Ų | 228 | 145.4 Ų | 145.4 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | 66.1 | 169.1 | 164.2 | -93.9 | -175.6 | 148.9 | 162.8 | -7.5 | 117.2 | ||||
| 1087 | P | 46.7 | Very low | 27.6 | Very low | 94 Ų | 94 | 149.1 Ų | 149.1 | 61% | 0.61 | 77% | 0.767 | S | S | * | * | cis | -136.3 | 172.8 | -32.4 | 38.8 | -21.9 | 0 | 0 | 0 | 115.6 | ||||
| 1088 | E | 24.5 | Very low | 27.4 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 49.6 | 138.7 | 140.2 | -68.3 | 161.6 | 153 | 0 | 0 | 126.1 | ||||
| 1089 | D | 23.9 | Very low | 27.2 | Very low | 149 Ų | 149 | 152.8 Ų | 152.8 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 112.2 | 152.9 | 130.4 | -130.1 | -11.9 | 0 | 0 | 0 | 124 | ||||
| 1090 | T | 25.6 | Very low | 26.8 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | trans | 75.6 | 88.3 | 164.5 | 48.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1091 | T | 24.6 | Very low | 26.8 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | 33.3 | 124.6 | 123.7 | 61.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1092 | H | 29.6 | Very low | 26.7 | Very low | 181 Ų | 181 | 150 Ų | 150 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | 175.9 | 163.7 | 120.9 | -88.7 | -26.6 | 0 | 0 | 0 | 110.7 | |||||
| 1093 | N | 25 | Very low | 26.3 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | -174.1 | 157.5 | -39.6 | -168.4 | -4.8 | 0 | 0 | 0 | 107.6 | ||||
| 1094 | R | 23.6 | Very low | 26.2 | Very low | 207 Ų | 207 | 147.1 Ų | 147.1 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | 66.9 | 126.4 | 174.8 | -69.8 | -175.8 | 171.5 | -163.5 | -2.6 | 116.3 | ||||
| 1095 | R | 24.3 | Very low | 27.1 | Very low | 224 Ų | 224 | 145.3 Ų | 145.3 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | 73.8 | 140 | 58.8 | -73.8 | -172.1 | -174.9 | -176 | 2.2 | 113.3 | |||||
| 1096 | S | 26.6 | Very low | 27 | Very low | 88 Ų | 88 | 147.8 Ų | 147.8 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | cis | 177.8 | 163.6 | -11.4 | 53.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1097 | R | 26 | Very low | 27.1 | Very low | 253 Ų | 253 | 144.8 Ų | 144.8 | 96% | 0.955 | 77% | 0.773 | S | S | * | * | trans | 77.3 | 141.7 | 163.3 | -63.8 | 176.2 | 163.1 | 175.6 | -6.8 | 117.9 | ||||
| 1098 | G | 24.6 | Very low | 27.1 | Very low | 83 Ų | 83 | 145.2 Ų | 145.2 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | 161.8 | 114.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1099 | M | 26 | Very low | 27.1 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | -130.8 | 167.9 | -174.3 | -172.7 | 158 | 77.2 | 0 | 0 | 110.3 | ||||
| 1100 | V | 25.7 | Very low | 27.3 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | trans | 106.4 | 104.4 | 161 | -175.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1101 | Q | 26.6 | Very low | 27.2 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 48.9 | 123.4 | 132.6 | -60 | 172 | -23 | 0 | 0 | 123.3 | ||||
| 1102 | S | 24.4 | Very low | 28.1 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 6.4 | 131.6 | 136.8 | 55.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1103 | S | 23.9 | Very low | 27.9 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | 167.4 | 149.3 | 112.6 | -72 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1104 | S | 24.3 | Very low | 27.9 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -86.2 | -172.3 | 167 | -39.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1105 | P | 42.1 | Very low | 28 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -140.7 | -157.3 | 0 | 29.6 | -2.3 | 0 | 0 | 0 | 114.9 | ||||
| 1106 | I | 23.9 | Very low | 27.8 | Very low | 159 Ų | 159 | 127 Ų | 127 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | 106.7 | 148.8 | 155.6 | -58.2 | 170.6 | 0 | 0 | 0 | 117.7 | ||||
| 1107 | M | 28.3 | Very low | 28.3 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -108.8 | -164.6 | -166.7 | -71.4 | -118.9 | 73.3 | 0 | 0 | 110.4 | ||||
| 1108 | P | 45.2 | Very low | 28.3 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | cis | -153.5 | -176 | 12.9 | 49 | -28.1 | 0 | 0 | 0 | 120.7 | ||||
| 1109 | T | 24.3 | Very low | 28.3 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | 70.3 | 121.5 | 147.1 | -53.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 1110 | V | 28.7 | Very low | 28.6 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | -174.2 | 143.1 | 115.5 | 149.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1111 | G | 23.6 | Very low | 28.8 | Very low | 61 Ų | 61 | 127 Ų | 127 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | -114.9 | -160.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1112 | P | 43.6 | Very low | 28.7 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | cis | -144.2 | 162.3 | 26.3 | 41.8 | -22.4 | 0 | 0 | 0 | 119.4 | ||||
| 1113 | S | 25.7 | Very low | 28.8 | Very low | 111 Ų | 111 | 122.6 Ų | 122.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 45.8 | 118.4 | 139.5 | -54.2 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1114 | T | 25.3 | Very low | 28.9 | Very low | 149 Ų | 149 | 122.6 Ų | 122.6 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | -161.9 | 156.8 | 107.5 | 12.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1115 | A | 24.9 | Very low | 29.1 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -151.2 | 179.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1116 | S | 20.7 | Very low | 28.7 | Very low | 107 Ų | 107 | 124 Ų | 124 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | -155.8 | -168.4 | 14.5 | -127.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1117 | P | 35.8 | Very low | 29.1 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | cis | -131.3 | 177.3 | 11.9 | 42.6 | -25 | 0 | 0 | 0 | 116.8 | ||||
| 1118 | E | 25.9 | Very low | 30.4 | Very low | 184 Ų | 184 | 115.7 Ų | 115.7 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | -101.4 | 162.9 | 172.1 | -61.4 | 175 | 103.4 | 0 | 0 | 112.6 | ||||
| 1119 | E | 25.2 | Very low | 31 | Very low | 187 Ų | 187 | 114.6 Ų | 114.6 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | -155.6 | 161.3 | 152.1 | -101.7 | -83.4 | 115.9 | 0 | 0 | 107.3 | ||||
| 1120 | P | 31.5 | Very low | 32.5 | Very low | 97 Ų | 97 | 109 Ų | 109 | 63% | 0.63 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 162.3 | -137.8 | 31.5 | -38.6 | 0 | 0 | 0 | 118 | G1122 | P1120-G1122 PolarHBondContact O-N 2.65Š|
| 1121 | P | 31 | Very low | 34.5 | Very low | 128 Ų | 128 | 104.5 Ų | 104.5 | 83% | 0.831 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 125.4 | 177.5 | 28.7 | -35.2 | 0 | 0 | 0 | 112.9 | ||
| 1122 | G | 24.6 | Very low | 37 | Very low | 77 Ų | 77 | 105.3 Ų | 105.3 | 79% | 0.794 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 137.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1120 | P1120-G1122 PolarHBondContact O-N 2.65Š|
| 1123 | S | 26.3 | Very low | 38.5 | Very low | 105 Ų | 105 | 103.6 Ų | 103.6 | 73% | 0.734 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 121.8 | -176.8 | 45.3 | 0 | 0 | 0 | 0 | 113.3 | L1125 | S1123-L1125 PolarHBondContact O-N 3.26Š|
| 1124 | S | 25.4 | Very low | 40.9 | Very low | 120 Ų | 120 | 98.9 Ų | 98.9 | 84% | 0.839 | 61% | 0.611 | S | S | * | * | trans | -91.7 | 90.3 | 165 | 57.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1125 | L | 28.2 | Very low | 43.5 | Very low | 134 Ų | 134 | 94.7 Ų | 94.7 | 70% | 0.702 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 154.8 | 169.3 | -84.4 | 91.3 | 0 | 0 | 0 | 111.5 | S1123 | S1123-L1125 PolarHBondContact O-N 3.26Š|
| 1126 | P | 34.4 | Very low | 46.1 | Very low | 122 Ų | 122 | 93.2 Ų | 93.2 | 79% | 0.792 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 156.5 | 171.3 | 28.2 | -35.4 | 0 | 0 | 0 | 111.8 | ||
| 1127 | S | 33 | Very low | 48.6 | Very low | 90 Ų | 90 | 91.5 Ų | 91.5 | 63% | 0.629 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 142.2 | -174.9 | 49.4 | 0 | 0 | 0 | 0 | 113.5 | T1129 | S1127-T1129 PolarHBondContact O-N 3Å; S1127-T1129 VanDerWaalsContact O-N 3.11Å |
| 1128 | D | 54.1 | Low | 50.7 | Low | 59 Ų | 59 | 85.7 Ų | 85.7 | 32% | 0.316 | 51% | 0.507 | S | S | . | . | trans | -70.5 | 99.1 | -170.7 | -170.1 | -24.9 | 0 | 0 | 0 | 112.7 | K143 R182 S1130 D1131 E1132 | K143-D1128 IonicContact NZ-OD1 3.68Å; K143-D1128 PolarHBondContact NZ-OD1 3.41Å; K143-D1128 IonicContact NZ-OD2 2.64Å; K143-D1128 PolarHBondContact NZ-OD2 2.87Å; R182-D1128 IonicContact NH2-OD2 2.92Å; D1128-S1130 PolarHBondContact O-N 3.48Å; D1128-S1130 PolarHBondContact OD1-N 3.5Å; D1128-S1130 PolarHBondContact OD1-OG 2.8Å; D1128-D1131 HydrophobicContact CB-CB 4.44Å; D1128-D1131 PolarHBondContact OD1-N 2.76Å; D1128-E1132 PolarHBondContact O-N 2.9Å | ||
| 1129 | T | 59.1 | Low | 53.2 | Low | 79 Ų | 79 | 80.7 Ų | 80.7 | 49% | 0.485 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72 | -27.9 | -170.8 | 53.2 | 0 | 0 | 0 | 0 | 114.4 | Q147 S1127 I1133 | Q147-T1129 PolarHBondContact NE2-OG1 3.31Å; S1127-T1129 PolarHBondContact O-N 3Å; S1127-T1129 VanDerWaalsContact O-N 3.11Å; T1129-I1133 WeakPolarHBondContact O-CD1 3.5Å; T1129-I1133 VanDerWaalsContact O-CG1 3.28Å; T1129-I1133 WeakPolarHBondContact O-CG1 3.41Å; T1129-I1133 PolarHBondContact O-N 3.31Å |
| 1130 | S | 55.4 | Low | 55.5 | Low | 6 Ų | 6 | 75 Ų | 75 | 4% | 0.042 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -82.7 | -31.9 | -179.1 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | K143 Q147 Q186 D1128 E1132 I1133 M1134 | K143-S1130 WeakPolarHBondContact CE-OG 3.35Å; K143-S1130 PolarHBondContact NZ-OG 3.15Å; K143-S1130 VanDerWaalsContact NZ-OG 3.15Å; Q147-S1130 PolarHBondContact NE2-OG 2.8Å; Q186-S1130 PolarHBondContact OE1-OG 3.42Å; D1128-S1130 PolarHBondContact O-N 3.48Å; D1128-S1130 PolarHBondContact OD1-N 3.5Å; D1128-S1130 PolarHBondContact OD1-OG 2.8Å; S1130-E1132 VanDerWaalsContact C-N 3.3Å; S1130-I1133 PolarHBondContact O-N 3.43Å; S1130-M1134 WeakPolarHBondContact O-CB 3.49Å; S1130-M1134 PolarHBondContact O-N 3.05Å |
| 1131 | D | 70.1 | Confident | 57.4 | Low | 45 Ų | 45 | 70.6 Ų | 70.6 | 24% | 0.241 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 167.1 | -79.3 | 13.4 | 0 | 0 | 0 | 110.3 | K143 R182 D1128 I1133 M1134 D1135 | K143-D1131 VanDerWaalsContact NZ-CG 3.3Å; K143-D1131 IonicContact NZ-OD1 2.95Å; K143-D1131 PolarHBondContact NZ-OD1 3.12Å; K143-D1131 IonicContact NZ-OD2 3.26Å; R182-D1131 IonicContact CZ-OD2 3.22Å; R182-D1131 VanDerWaalsContact CZ-OD2 3.3Å; R182-D1131 IonicContact NE-OD1 2.69Å; R182-D1131 IonicContact NE-OD2 2.78Å; R182-D1131 PolarHBondContact NE-OD2 2.81Å; R182-D1131 VanDerWaalsContact NE-OD2 3.12Å; R182-D1131 IonicContact NH2-OD2 3.27Å; R182-D1131 PolarHBondContact NH2-OD2 3.39Å; D1128-D1131 HydrophobicContact CB-CB 4.44Å; D1128-D1131 PolarHBondContact OD1-N 2.76Å; D1131-I1133 PolarHBondContact O-N 3.4Å; D1131-M1134 PolarHBondContact O-N 2.77Å; D1131-D1135 WeakPolarHBondContact O-CB 3.26Å; D1131-D1135 PolarHBondContact O-N 2.92Å |
| 1132 | E | 77.1 | Confident | 59.3 | Low | 79 Ų | 79 | 65.1 Ų | 65.1 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.1 | -36.1 | 171.8 | -78.7 | -166.4 | -144.9 | 0 | 0 | 113.7 | K1026 D1128 S1130 L1136 | K1026-E1132 IonicContact NZ-OE2 2.63Å; K1026-E1132 PolarHBondContact NZ-OE2 3.18Å; D1128-E1132 PolarHBondContact O-N 2.9Å; S1130-E1132 VanDerWaalsContact C-N 3.3Å; E1132-L1136 WeakPolarHBondContact O-CB 3.46Å; E1132-L1136 VanDerWaalsContact O-CG 3.26Å; E1132-L1136 WeakPolarHBondContact O-CG 3.31Å; E1132-L1136 PolarHBondContact O-N 2.88Å |
| 1133 | I | 75.6 | Confident | 61.1 | Low | 82 Ų | 82 | 67.4 Ų | 67.4 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.2 | -43.4 | 176.7 | -70.8 | 162 | 0 | 0 | 0 | 110.4 | L189 T1129 S1130 D1131 D1135 L1136 L1137 | L189-I1133 HydrophobicContact CD1-CG2 4.4Å; L189-I1133 HydrophobicContact CD2-CG2 3.78Å; T1129-I1133 WeakPolarHBondContact O-CD1 3.5Å; T1129-I1133 VanDerWaalsContact O-CG1 3.28Å; T1129-I1133 WeakPolarHBondContact O-CG1 3.41Å; T1129-I1133 PolarHBondContact O-N 3.31Å; S1130-I1133 PolarHBondContact O-N 3.43Å; D1131-I1133 PolarHBondContact O-N 3.4Å; I1133-D1135 VanDerWaalsContact C-N 3.33Å; I1133-D1135 PolarHBondContact O-N 2.66Å; I1133-L1136 PolarHBondContact O-N 3.38Å; I1133-L1137 HydrophobicContact CG2-CD1 4.22Å; I1133-L1137 WeakPolarHBondContact O-CG 3.4Å; I1133-L1137 PolarHBondContact O-N 2.95Å |
| 1134 | M | 75 | Confident | 62.3 | Low | 13 Ų | 13 | 63.9 Ų | 63.9 | 6% | 0.064 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 175.1 | -174.9 | 160.7 | -62.7 | 0 | 0 | 111.7 | G185 L225 S1130 D1131 L1136 L1137 V1138 | G185-M1134 VanDerWaalsContact O-CE 3.31Å; G185-M1134 WeakPolarHBondContact O-CE 3.36Å; L225-M1134 HydrophobicContact CD2-CE 3.57Å; L225-M1134 HydrophobicContact CD2-SD 3.64Å; S1130-M1134 WeakPolarHBondContact O-CB 3.49Å; S1130-M1134 PolarHBondContact O-N 3.05Å; D1131-M1134 PolarHBondContact O-N 2.77Å; M1134-L1136 VanDerWaalsContact C-N 3.31Å; M1134-L1136 PolarHBondContact O-N 3.45Å; M1134-L1137 PolarHBondContact O-N 3.23Å; M1134-V1138 WeakPolarHBondContact O-CB 3.27Å; M1134-V1138 VanDerWaalsContact O-CG2 3.32Å; M1134-V1138 WeakPolarHBondContact O-CG2 3.21Å; M1134-V1138 PolarHBondContact O-N 2.89Å |
| 1135 | D | 79.4 | Confident | 62.9 | Low | 60 Ų | 60 | 61.8 Ų | 61.8 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.5 | -27.7 | 177.6 | -83.7 | 18.5 | 0 | 0 | 0 | 113 | K224 D1131 I1133 Q1139 | K224-D1135 VanDerWaalsContact NZ-CG 3.27Å; K224-D1135 IonicContact NZ-OD1 2.67Å; K224-D1135 PolarHBondContact NZ-OD1 3.5Å; K224-D1135 IonicContact NZ-OD2 3.43Å; K224-D1135 PolarHBondContact NZ-OD2 3.02Å; D1131-D1135 WeakPolarHBondContact O-CB 3.26Å; D1131-D1135 PolarHBondContact O-N 2.92Å; I1133-D1135 VanDerWaalsContact C-N 3.33Å; I1133-D1135 PolarHBondContact O-N 2.66Å; D1135-Q1139 WeakPolarHBondContact O-CB 3.4Å; D1135-Q1139 WeakPolarHBondContact O-CG 3.47Å; D1135-Q1139 PolarHBondContact O-N 2.88Å; D1135-Q1139 PolarHBondContact O-NE2 3.02Å |
| 1136 | L | 79.3 | Confident | 63.6 | Low | 62 Ų | 62 | 58.7 Ų | 58.7 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.3 | -41.4 | 170.8 | -78.7 | 172.2 | 0 | 0 | 0 | 112.4 | E1132 I1133 M1134 Q1139 S1140 | E1132-L1136 WeakPolarHBondContact O-CB 3.46Å; E1132-L1136 VanDerWaalsContact O-CG 3.26Å; E1132-L1136 WeakPolarHBondContact O-CG 3.31Å; E1132-L1136 PolarHBondContact O-N 2.88Å; I1133-L1136 PolarHBondContact O-N 3.38Å; M1134-L1136 VanDerWaalsContact C-N 3.31Å; M1134-L1136 PolarHBondContact O-N 3.45Å; L1136-Q1139 PolarHBondContact O-N 3.47Å; L1136-S1140 PolarHBondContact O-N 2.87Å |
| 1137 | L | 74.8 | Confident | 63.7 | Low | 71 Ų | 71 | 63.3 Ų | 63.3 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -53 | 174 | -71.4 | 170 | 0 | 0 | 0 | 110.1 | L189 V228 I1133 M1134 Q1139 S1140 V1141 | L189-L1137 HydrophobicContact CD2-CD1 3.83Å; V228-L1137 HydrophobicContact CG1-CD1 4.5Å; V228-L1137 HydrophobicContact CG2-CB 4.24Å; I1133-L1137 HydrophobicContact CG2-CD1 4.22Å; I1133-L1137 WeakPolarHBondContact O-CG 3.4Å; I1133-L1137 PolarHBondContact O-N 2.95Å; M1134-L1137 PolarHBondContact O-N 3.23Å; L1137-Q1139 VanDerWaalsContact C-N 3.26Å; L1137-Q1139 PolarHBondContact O-N 3.36Å; L1137-S1140 PolarHBondContact O-N 2.85Å; L1137-S1140 PolarHBondContact O-OG 3.39Å; L1137-V1141 WeakPolarHBondContact O-CG2 3.23Å; L1137-V1141 PolarHBondContact O-N 3.03Å |
| 1138 | V | 78.4 | Confident | 64.3 | Low | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58 | -39.7 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | K224 L227 V228 Y276 M1134 V1141 T1142 | K224-V1138 HydrophobicContact CB-CG2 3.83Å; K224-V1138 HydrophobicContact CD-CG2 4.32Å; K224-V1138 HydrophobicContact CG-CB 4.48Å; K224-V1138 HydrophobicContact CG-CG1 4.12Å; K224-V1138 HydrophobicContact CG-CG2 3.79Å; L227-V1138 HydrophobicContact CD1-CG1 4.28Å; V228-V1138 HydrophobicContact CG2-CG2 4.05Å; Y276-V1138 HydrophobicContact CD1-CG1 3.89Å; Y276-V1138 HydrophobicContact CE1-CG1 3.33Å; M1134-V1138 WeakPolarHBondContact O-CB 3.27Å; M1134-V1138 VanDerWaalsContact O-CG2 3.32Å; M1134-V1138 WeakPolarHBondContact O-CG2 3.21Å; M1134-V1138 PolarHBondContact O-N 2.89Å; V1138-V1141 PolarHBondContact O-N 3.31Å; V1138-T1142 WeakPolarHBondContact O-CG2 3.48Å; V1138-T1142 PolarHBondContact O-N 3.01Å; V1138-T1142 PolarHBondContact O-OG1 3.38Å |
| 1139 | Q | 78.6 | Confident | 63.8 | Low | 78 Ų | 78 | 61.4 Ų | 61.4 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.6 | -30.5 | 175.9 | -79.8 | 179.8 | 68.7 | 0 | 0 | 114.3 | D1135 L1136 L1137 T1142 K1143 | D1135-Q1139 WeakPolarHBondContact O-CB 3.4Å; D1135-Q1139 WeakPolarHBondContact O-CG 3.47Å; D1135-Q1139 PolarHBondContact O-N 2.88Å; D1135-Q1139 PolarHBondContact O-NE2 3.02Å; L1136-Q1139 PolarHBondContact O-N 3.47Å; L1137-Q1139 VanDerWaalsContact C-N 3.26Å; L1137-Q1139 PolarHBondContact O-N 3.36Å; Q1139-T1142 PolarHBondContact O-OG1 3.01Å; Q1139-K1143 HydrophobicContact CB-CD 4.46Å; Q1139-K1143 WeakPolarHBondContact O-CB 3.38Å; Q1139-K1143 WeakPolarHBondContact O-CD 3.42Å; Q1139-K1143 VanDerWaalsContact O-CG 3.24Å; Q1139-K1143 WeakPolarHBondContact O-CG 3.49Å; Q1139-K1143 PolarHBondContact O-N 2.85Å; Q1139-K1143 VanDerWaalsContact O-N 3.12Å |
| 1140 | S | 75 | Confident | 63.1 | Low | 69 Ų | 69 | 59.6 Ų | 59.6 | 48% | 0.483 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.1 | -36.3 | 174 | 71 | 0 | 0 | 0 | 0 | 111 | L1136 L1137 S1144 | L1136-S1140 PolarHBondContact O-N 2.87Å; L1137-S1140 PolarHBondContact O-N 2.85Å; L1137-S1140 PolarHBondContact O-OG 3.39Å; S1140-S1144 WeakPolarHBondContact O-CB 3.22Å; S1140-S1144 PolarHBondContact O-N 3.01Å; S1140-S1144 VanDerWaalsContact O-N 3.13Å |
| 1141 | V | 70.9 | Confident | 62.4 | Low | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63 | -52.6 | 174.2 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | L227 E231 T279 K283 L1137 V1138 K1143 S1144 | L227-V1141 HydrophobicContact CD2-CG1 4.08Å; E231-V1141 HydrophobicContact CB-CG2 3.89Å; E231-V1141 HydrophobicContact CG-CG2 3.57Å; T279-V1141 HydrophobicContact CG2-CG1 3.92Å; K283-V1141 HydrophobicContact CD-CG1 4.31Å; K283-V1141 HydrophobicContact CG-CG1 4.07Å; L1137-V1141 WeakPolarHBondContact O-CG2 3.23Å; L1137-V1141 PolarHBondContact O-N 3.03Å; V1138-V1141 PolarHBondContact O-N 3.31Å; V1141-K1143 PolarHBondContact O-N 3.42Å; V1141-S1144 WeakPolarHBondContact O-CB 3.49Å; V1141-S1144 PolarHBondContact O-N 3.15Å; V1141-S1144 PolarHBondContact O-OG 2.88Å |
| 1142 | T | 71.7 | Confident | 61.6 | Low | 13 Ų | 13 | 67.5 Ų | 67.5 | 8% | 0.08 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.5 | -30.6 | -177.6 | 58 | 0 | 0 | 0 | 0 | 114 | V275 Y276 T279 Q326 V1138 Q1139 | V275-T1142 HydrophobicContact CG1-CG2 3.93Å; Y276-T1142 HydrophobicContact CD1-CG2 3.77Å; Y276-T1142 HydrophobicContact CE1-CG2 3.98Å; T279-T1142 HydrophobicContact CG2-CG2 4.11Å; Q326-T1142 PolarHBondContact NE2-O 3.46Å; Q326-T1142 VanDerWaalsContact NE2-O 3.16Å; V1138-T1142 WeakPolarHBondContact O-CG2 3.48Å; V1138-T1142 PolarHBondContact O-N 3.01Å; V1138-T1142 PolarHBondContact O-OG1 3.38Å; Q1139-T1142 PolarHBondContact O-OG1 3.01Å |
| 1143 | K | 62.3 | Low | 60.6 | Low | 126 Ų | 126 | 71 Ų | 71 | 55% | 0.548 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 6.8 | 179.9 | -59.9 | 170.2 | -178.4 | 174.3 | 0 | 113.5 | Q1139 V1141 | Q1139-K1143 HydrophobicContact CB-CD 4.46Å; Q1139-K1143 WeakPolarHBondContact O-CB 3.38Å; Q1139-K1143 WeakPolarHBondContact O-CD 3.42Å; Q1139-K1143 VanDerWaalsContact O-CG 3.24Å; Q1139-K1143 WeakPolarHBondContact O-CG 3.49Å; Q1139-K1143 PolarHBondContact O-N 2.85Å; Q1139-K1143 VanDerWaalsContact O-N 3.12Å; V1141-K1143 PolarHBondContact O-N 3.42Å |
| 1144 | S | 49.8 | Very low | 60.5 | Low | 30 Ų | 30 | 68.5 Ų | 68.5 | 21% | 0.21 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -64.3 | 141.5 | -179.2 | 59.6 | 0 | 0 | 0 | 0 | 112 | S1140 V1141 | S1140-S1144 WeakPolarHBondContact O-CB 3.22Å; S1140-S1144 PolarHBondContact O-N 3.01Å; S1140-S1144 VanDerWaalsContact O-N 3.13Å; V1141-S1144 WeakPolarHBondContact O-CB 3.49Å; V1141-S1144 PolarHBondContact O-N 3.15Å; V1141-S1144 PolarHBondContact O-OG 2.88Å |
| 1145 | S | 39.2 | Very low | 59.8 | Low | 77 Ų | 77 | 76.2 Ų | 76.2 | 54% | 0.538 | 40% | 0.4 | S | S | . | . | trans | -63.5 | 132.6 | -168.5 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | R1147 A1148 | S1145-R1147 PolarHBondContact O-N 3.36Å; S1145-A1148 PolarHBondContact O-N 3.5Å | ||
| 1146 | P | 43.4 | Very low | 58.8 | Low | 68 Ų | 68 | 81.9 Ų | 81.9 | 44% | 0.442 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.1 | -20.1 | -175.8 | 23.3 | -35 | 0 | 0 | 0 | 113.8 | L329 A1148 | L329-P1146 HydrophobicContact CD1-CB 4.15Å; L329-P1146 HydrophobicContact CD2-CB 3.71Å; L329-P1146 HydrophobicContact CG-CB 4.13Å; P1146-A1148 VanDerWaalsContact C-N 3.3Å; P1146-A1148 PolarHBondContact O-N 3.37Å |
| 1147 | R | 36.4 | Very low | 57.4 | Low | 220 Ų | 220 | 80.7 Ų | 80.7 | 83% | 0.83 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -73.7 | -17.2 | 178.8 | -152 | 174.8 | -165.1 | 162.4 | 5.4 | 113.8 | S1145 A1151 | S1145-R1147 PolarHBondContact O-N 3.36Å; R1147-A1151 WeakPolarHBondContact O-CB 3.36Å |
| 1148 | A | 43.8 | Very low | 56.3 | Low | 72 Ų | 72 | 90.1 Ų | 90.1 | 60% | 0.595 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -82.5 | -37.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1145 P1146 A1150 | S1145-A1148 PolarHBondContact O-N 3.5Å; P1146-A1148 VanDerWaalsContact C-N 3.3Å; P1146-A1148 PolarHBondContact O-N 3.37Å; A1148-A1150 PolarHBondContact O-N 3.11Å |
| 1149 | L | 45.5 | Very low | 55.1 | Low | 36 Ų | 36 | 92.1 Ų | 92.1 | 19% | 0.188 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -74.9 | -21.8 | -173.3 | -64.2 | 171.2 | 0 | 0 | 0 | 113.9 | K283 A286 L329 | K283-L1149 HydrophobicContact CD-CD2 3.81Å; A286-L1149 HydrophobicContact CB-CD2 4.03Å; L329-L1149 HydrophobicContact CD1-CD1 3.97Å; L329-L1149 HydrophobicContact CD2-CB 4.46Å |
| 1150 | A | 44.3 | Very low | 54.1 | Low | 41 Ų | 41 | 95.5 Ų | 95.5 | 34% | 0.339 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 8.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | L336 A1148 | L336-A1150 HydrophobicContact CD2-CB 4.36Å; L336-A1150 WeakPolarHBondContact CD2-O 3.46Å; A1148-A1150 PolarHBondContact O-N 3.11Å |
| 1151 | A | 39.5 | Very low | 53.9 | Low | 78 Ų | 78 | 96 Ų | 96 | 65% | 0.645 | 48% | 0.477 | S | S | * | . | trans | -99.2 | 11.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1147 | R1147-A1151 WeakPolarHBondContact O-CB 3.36Š| ||
| 1152 | R | 53.8 | Low | 53.9 | Low | 139 Ų | 139 | 99 Ų | 99 | 53% | 0.525 | 49% | 0.49 | S | S | . | . | trans | -110.6 | 116.2 | -179.8 | -71.7 | -176.1 | 170.6 | -165.3 | -0.9 | 111.5 | E234 R1154 | E234-R1152 VanDerWaalsContact CD-NH1 3.25Å; E234-R1152 IonicContact OE1-CZ 3.15Å; E234-R1152 IonicContact OE1-NH1 3.52Å; E234-R1152 PolarHBondContact OE1-NH1 3.35Å; E234-R1152 IonicContact OE1-NH2 2.79Å; E234-R1152 PolarHBondContact OE1-NH2 2.78Å; E234-R1152 IonicContact OE2-CZ 2.97Å; E234-R1152 IonicContact OE2-NH1 3.52Å; E234-R1152 PolarHBondContact OE2-NH1 3.26Å; E234-R1152 IonicContact OE2-NH2 2.67Å; E234-R1152 PolarHBondContact OE2-NH2 2.75Å; R1152-R1154 PolarHBondContact O-N 2.93Å | ||
| 1153 | E | 56 | Low | 54.1 | Low | 152 Ų | 152 | 98.6 Ų | 98.6 | 71% | 0.71 | 49% | 0.488 | S | S | * | . | trans | -75.9 | 109.9 | 167.7 | -174.2 | 167.8 | -166.1 | 0 | 0 | 108.5 | R1156 | E1153-R1156 IonicContact OE1-CZ 3.73Å; E1153-R1156 IonicContact OE1-NE 2.77Å; E1153-R1156 IonicContact OE1-NH2 3.05Å; E1153-R1156 PolarHBondContact OE1-NH2 2.84Å | ||
| 1154 | R | 73.2 | Confident | 54.6 | Low | 30 Ų | 30 | 94.9 Ų | 94.9 | 11% | 0.113 | 47% | 0.474 | C | S | . | . | trans | -68.4 | 158 | -178.6 | -64.9 | -175.6 | 178.2 | 94 | -3.4 | 111.4 | L285 L288 F294 E337 R1152 R1156 | L285-R1154 PolarHBondContact O-NH2 3.49Å; L288-R1154 PolarHBondContact O-NE 2.89Å; F294-R1154 VanDerWaalsContact CD2-CZ 3.4Å; F294-R1154 VanDerWaalsContact CD2-NH2 3.25Å; E337-R1154 IonicContact OE2-CZ 2.7Å; E337-R1154 IonicContact OE2-NH1 2.98Å; E337-R1154 PolarHBondContact OE2-NH1 2.94Å; R1152-R1154 PolarHBondContact O-N 2.93Å; R1154-R1156 PolarHBondContact O-N 3.03Å | ||
| 1155 | K | 61.3 | Low | 55.7 | Low | 176 Ų | 176 | 94.3 Ų | 94.3 | 77% | 0.765 | 47% | 0.467 | S | S | * | . | B | Isolated β-bridge | trans | -70.4 | 102 | 172.7 | -72.6 | 176.7 | -177.9 | 169.7 | 0 | 109.1 | P289 S1157 | P289-K1155 PolarHBondContact O-N 3.25Å; K1155-S1157 PolarHBondContact O-N 3.32Å |
| 1156 | R | 57.5 | Low | 56.9 | Low | 178 Ų | 178 | 93.1 Ų | 93.1 | 67% | 0.672 | 45% | 0.45 | S | S | * | . | trans | -56.3 | 132.2 | 175 | -54.4 | -176.5 | -162.8 | -149.4 | 1.2 | 110.2 | E1153 R1154 | E1153-R1156 IonicContact OE1-CZ 3.73Å; E1153-R1156 IonicContact OE1-NE 2.77Å; E1153-R1156 IonicContact OE1-NH2 3.05Å; E1153-R1156 PolarHBondContact OE1-NH2 2.84Å; R1154-R1156 PolarHBondContact O-N 3.03Å | ||
| 1157 | S | 50.9 | Low | 57.9 | Low | 38 Ų | 38 | 92.1 Ų | 92.1 | 27% | 0.266 | 44% | 0.443 | S | S | . | . | trans | -75.2 | 175.6 | 172.6 | 79.8 | 0 | 0 | 0 | 0 | 110.7 | D292 K1155 G1159 | D292-S1157 VanDerWaalsContact CG-CB 3.48Å; D292-S1157 WeakPolarHBondContact OD1-CB 3.33Å; D292-S1157 PolarHBondContact OD1-OG 2.83Å; D292-S1157 WeakPolarHBondContact OD2-CB 3.36Å; D292-S1157 PolarHBondContact OD2-OG 3.14Å; K1155-S1157 PolarHBondContact O-N 3.32Å; S1157-G1159 PolarHBondContact O-N 3.26Å; S1157-G1159 PolarHBondContact OG-O 3.43Å | ||
| 1158 | R | 50.3 | Low | 59.2 | Low | 269 Ų | 269 | 88 Ų | 88 | 100% | 1.015 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -77.2 | -6.4 | 179.6 | -76.3 | -178.3 | 171.2 | 174.8 | -2.9 | 113.4 | ||
| 1159 | G | 53.7 | Low | 60 | Low | 41 Ų | 41 | 90.8 Ų | 90.8 | 42% | 0.423 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -106.7 | 141.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1157 R1161 | S1157-G1159 PolarHBondContact O-N 3.26Å; S1157-G1159 PolarHBondContact OG-O 3.43Å; G1159-R1161 PolarHBondContact O-N 3.33Å |
| 1160 | N | 58 | Low | 60.3 | Low | 150 Ų | 150 | 93 Ų | 93 | 80% | 0.802 | 46% | 0.455 | S | S | * | . | trans | -83.2 | 56.3 | 179.8 | -157.9 | 39 | 0 | 0 | 0 | 111.2 | ||||
| 1161 | R | 70.4 | Confident | 60.4 | Low | 78 Ų | 78 | 92.7 Ų | 92.7 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | trans | -65.3 | 144.7 | 179.1 | -173.5 | 174.5 | 175.6 | -179 | -1.8 | 110.1 | D292 Y295 D296 D299 G1159 | D292-R1161 PolarHBondContact O-NH1 3.44Å; Y295-R1161 VanDerWaalsContact CB-CZ 3.46Å; Y295-R1161 VanDerWaalsContact CB-NE 3.34Å; Y295-R1161 HydrophobicContact CD2-CB 4.04Å; Y295-R1161 HydrophobicContact CD2-CG 3.65Å; Y295-R1161 HydrophobicContact CE2-CB 4.13Å; Y295-R1161 HydrophobicContact CE2-CG 4.1Å; Y295-R1161 VanDerWaalsContact CE2-O 3.27Å; Y295-R1161 WeakPolarHBondContact CE2-O 3.28Å; Y295-R1161 HydrophobicContact CG-CG 4.25Å; Y295-R1161 PolarHBondContact OH-O 3.48Å; D296-R1161 IonicContact OD1-CZ 3.22Å; D296-R1161 IonicContact OD1-NH1 2.71Å; D296-R1161 PolarHBondContact OD1-NH1 2.88Å; D296-R1161 IonicContact OD1-NH2 2.74Å; D296-R1161 PolarHBondContact OD1-NH2 3.2Å; D299-R1161 IonicContact OD2-CZ 3.66Å; D299-R1161 IonicContact OD2-NE 2.67Å; D299-R1161 IonicContact OD2-NH2 3.71Å; D299-R1161 PolarHBondContact OD2-NH2 3.08Å; G1159-R1161 PolarHBondContact O-N 3.33Å | ||
| 1162 | K | 71.4 | Confident | 60.7 | Low | 68 Ų | 68 | 92.1 Ų | 92.1 | 30% | 0.296 | 44% | 0.441 | S | S | . | . | trans | -130.1 | 162 | 179.2 | -71.6 | 177.7 | 170.9 | -169.7 | 0 | 108.8 | D338 | D338-K1162 WeakPolarHBondContact OD1-CA 3.3Å; D338-K1162 WeakPolarHBondContact OD1-CB 3.16Å | ||
| 1163 | S | 74.4 | Confident | 60.5 | Low | 4 Ų | 4 | 87.6 Ų | 87.6 | 3% | 0.028 | 44% | 0.438 | C | S | . | . | trans | -60.9 | 152.2 | 178.6 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | Y295 D338 R1165 R1166 T1167 | Y295-S1163 VanDerWaalsContact CE1-N 3.34Å; D338-S1163 PolarHBondContact OD1-N 2.99Å; D338-S1163 VanDerWaalsContact OD2-CB 3.25Å; D338-S1163 WeakPolarHBondContact OD2-CB 3.45Å; D338-S1163 PolarHBondContact OD2-OG 3Å; S1163-R1165 VanDerWaalsContact C-N 3.25Å; S1163-R1165 PolarHBondContact O-N 2.96Å; S1163-R1166 PolarHBondContact O-N 3.21Å; S1163-R1166 WeakPolarHBondContact OG-CB 3.48Å; S1163-R1166 PolarHBondContact OG-N 2.9Å; S1163-R1166 VanDerWaalsContact OG-N 3.1Å; S1163-T1167 WeakPolarHBondContact O-CB 3.41Å; S1163-T1167 PolarHBondContact O-N 3.42Å; S1163-T1167 PolarHBondContact O-OG1 3.14Å | ||
| 1164 | L | 74.4 | Confident | 60.2 | Low | 48 Ų | 48 | 87 Ų | 87 | 25% | 0.251 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56 | -41.3 | 171.2 | -177 | 62.6 | 0 | 0 | 0 | 111.5 | D299 E302 Q303 R1166 T1167 L1168 | D299-L1164 HydrophobicContact CB-CB 4.15Å; D299-L1164 VanDerWaalsContact OD1-CB 3.23Å; D299-L1164 WeakPolarHBondContact OD1-CB 3.39Å; D299-L1164 PolarHBondContact OD1-N 3.22Å; E302-L1164 HydrophobicContact CB-CD2 4.24Å; Q303-L1164 HydrophobicContact CG-CD2 3.87Å; L1164-R1166 PolarHBondContact O-N 3.09Å; L1164-T1167 PolarHBondContact O-N 3.49Å; L1164-L1168 HydrophobicContact CD1-CD1 4.06Å; L1164-L1168 HydrophobicContact CD1-CG 4.16Å; L1164-L1168 HydrophobicContact CG-CD1 3.89Å; L1164-L1168 HydrophobicContact CG-CG 4.38Å; L1164-L1168 WeakPolarHBondContact O-CB 3.46Å; L1164-L1168 VanDerWaalsContact O-CG 3.29Å; L1164-L1168 WeakPolarHBondContact O-CG 3.5Å; L1164-L1168 PolarHBondContact O-N 3.44Å |
| 1165 | R | 71.3 | Confident | 59 | Low | 18 Ų | 18 | 92.2 Ų | 92.2 | 7% | 0.068 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -55.3 | -50.2 | 175.2 | -74.4 | -170.7 | -173.7 | 177.2 | 7.4 | 112.3 | E302 E307 E331 S1163 L1168 K1169 | E302-R1165 HydrophobicContact CG-CG 3.97Å; E302-R1165 IonicContact OE1-CZ 3.63Å; E302-R1165 VanDerWaalsContact OE1-CZ 3.27Å; E302-R1165 IonicContact OE1-NE 3.76Å; E302-R1165 PolarHBondContact OE1-NE 3.03Å; E302-R1165 VanDerWaalsContact OE1-NE 3.1Å; E302-R1165 IonicContact OE1-NH2 3.99Å; E302-R1165 PolarHBondContact OE1-NH2 3Å; E302-R1165 IonicContact OE2-CZ 3.8Å; E302-R1165 IonicContact OE2-NE 3.46Å; E302-R1165 PolarHBondContact OE2-NE 3.19Å; E302-R1165 IonicContact OE2-NH2 3.76Å; E302-R1165 PolarHBondContact OE2-NH2 2.92Å; E307-R1165 VanDerWaalsContact CA-NH2 3.28Å; E307-R1165 WeakPolarHBondContact OE2-CD 3.43Å; E307-R1165 WeakPolarHBondContact OE2-CG 3.49Å; E307-R1165 IonicContact OE2-NE 2.67Å; E331-R1165 VanDerWaalsContact CD-NH1 3.35Å; E331-R1165 IonicContact OE1-CZ 2.66Å; E331-R1165 IonicContact OE1-NH1 3.89Å; E331-R1165 PolarHBondContact OE1-NH1 3.43Å; E331-R1165 IonicContact OE1-NH2 2.78Å; E331-R1165 IonicContact OE2-NH1 3.7Å; E331-R1165 PolarHBondContact OE2-NH1 2.68Å; S1163-R1165 VanDerWaalsContact C-N 3.25Å; S1163-R1165 PolarHBondContact O-N 2.96Å; R1165-L1168 PolarHBondContact O-N 2.71Å; R1165-K1169 VanDerWaalsContact O-CB 3.29Å; R1165-K1169 WeakPolarHBondContact O-CB 3.26Å; R1165-K1169 WeakPolarHBondContact O-CG 3.38Å; R1165-K1169 PolarHBondContact O-N 3.34Å |
| 1166 | R | 65.8 | Low | 58.5 | Low | 51 Ų | 51 | 87.2 Ų | 87.2 | 19% | 0.192 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | -179 | -176 | 169.4 | -176.2 | -178.4 | 18.2 | 110.9 | D338 D340 S1163 L1164 L1168 K1169 S1170 | D338-R1166 PolarHBondContact O-NH1 3.38Å; D338-R1166 WeakPolarHBondContact OD1-CD 3.49Å; D340-R1166 VanDerWaalsContact CG-NH2 3.3Å; D340-R1166 IonicContact OD1-CZ 2.71Å; D340-R1166 IonicContact OD1-NE 3.25Å; D340-R1166 IonicContact OD1-NH1 2.81Å; D340-R1166 PolarHBondContact OD1-NH1 3.17Å; D340-R1166 IonicContact OD1-NH2 3.79Å; D340-R1166 PolarHBondContact OD1-NH2 3.45Å; D340-R1166 WeakPolarHBondContact OD2-CD 3.46Å; D340-R1166 IonicContact OD2-CZ 3.2Å; D340-R1166 IonicContact OD2-NE 2.76Å; D340-R1166 PolarHBondContact OD2-NE 2.87Å; D340-R1166 VanDerWaalsContact OD2-NE 3.09Å; D340-R1166 IonicContact OD2-NH1 2.56Å; D340-R1166 PolarHBondContact OD2-NH1 3.28Å; D340-R1166 IonicContact OD2-NH2 3.91Å; D340-R1166 PolarHBondContact OD2-NH2 3.04Å; S1163-R1166 PolarHBondContact O-N 3.21Å; S1163-R1166 WeakPolarHBondContact OG-CB 3.48Å; S1163-R1166 PolarHBondContact OG-N 2.9Å; S1163-R1166 VanDerWaalsContact OG-N 3.1Å; L1164-R1166 PolarHBondContact O-N 3.09Å; R1166-L1168 VanDerWaalsContact C-N 3.27Å; R1166-L1168 PolarHBondContact O-N 3.1Å; R1166-K1169 PolarHBondContact O-N 2.78Å; R1166-K1169 VanDerWaalsContact O-N 3.13Å; R1166-S1170 PolarHBondContact O-N 2.92Å; R1166-S1170 PolarHBondContact O-OG 3.49Å |
| 1167 | T | 63.6 | Low | 58.3 | Low | 48 Ų | 48 | 80.4 Ų | 80.4 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.5 | -37.6 | 178.8 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | S1163 L1164 G1171 L1172 | S1163-T1167 WeakPolarHBondContact O-CB 3.41Å; S1163-T1167 PolarHBondContact O-N 3.42Å; S1163-T1167 PolarHBondContact O-OG1 3.14Å; L1164-T1167 PolarHBondContact O-N 3.49Å; T1167-G1171 CarbonylContact O-C 3.29Å; T1167-G1171 WeakPolarHBondContact O-CA 3.36Å; T1167-L1172 HydrophobicContact CG2-CD2 3.79Å; T1167-L1172 HydrophobicContact CG2-CG 4.48Å |
| 1168 | L | 64.2 | Low | 58.2 | Low | 133 Ų | 133 | 85.6 Ų | 85.6 | 70% | 0.696 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -77.3 | -34.3 | 175 | -67.8 | 173.5 | 0 | 0 | 0 | 113.4 | L1164 R1165 R1166 | L1164-L1168 HydrophobicContact CD1-CD1 4.06Å; L1164-L1168 HydrophobicContact CD1-CG 4.16Å; L1164-L1168 HydrophobicContact CG-CD1 3.89Å; L1164-L1168 HydrophobicContact CG-CG 4.38Å; L1164-L1168 WeakPolarHBondContact O-CB 3.46Å; L1164-L1168 VanDerWaalsContact O-CG 3.29Å; L1164-L1168 WeakPolarHBondContact O-CG 3.5Å; L1164-L1168 PolarHBondContact O-N 3.44Å; R1165-L1168 PolarHBondContact O-N 2.71Å; R1166-L1168 VanDerWaalsContact C-N 3.27Å; R1166-L1168 PolarHBondContact O-N 3.1Å |
| 1169 | K | 60.6 | Low | 58 | Low | 130 Ų | 130 | 76.7 Ų | 76.7 | 57% | 0.565 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -84.5 | -41.1 | -175.2 | -80.5 | 178.9 | 168 | 167.7 | 0 | 115.4 | E307 R1165 R1166 G1171 | E307-K1169 WeakPolarHBondContact OE1-CE 3.49Å; E307-K1169 IonicContact OE1-NZ 3.68Å; E307-K1169 PolarHBondContact OE1-NZ 3.47Å; E307-K1169 WeakPolarHBondContact OE2-CE 3.35Å; E307-K1169 IonicContact OE2-NZ 2.76Å; E307-K1169 PolarHBondContact OE2-NZ 3.25Å; R1165-K1169 VanDerWaalsContact O-CB 3.29Å; R1165-K1169 WeakPolarHBondContact O-CB 3.26Å; R1165-K1169 WeakPolarHBondContact O-CG 3.38Å; R1165-K1169 PolarHBondContact O-N 3.34Å; R1166-K1169 PolarHBondContact O-N 2.78Å; R1166-K1169 VanDerWaalsContact O-N 3.13Å; K1169-G1171 VanDerWaalsContact C-N 3.27Å |
| 1170 | S | 51.4 | Low | 57.6 | Low | 84 Ų | 84 | 79.5 Ų | 79.5 | 59% | 0.587 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -82.8 | -10.1 | 176.5 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | R1166 | R1166-S1170 PolarHBondContact O-N 2.92Å; R1166-S1170 PolarHBondContact O-OG 3.49Å |
| 1171 | G | 47.1 | Very low | 56.8 | Low | 34 Ų | 34 | 75.1 Ų | 75.1 | 35% | 0.351 | 43% | 0.428 | S | S | . | . | trans | 65.3 | 172.8 | -154.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1167 K1169 G1173 | T1167-G1171 CarbonylContact O-C 3.29Å; T1167-G1171 WeakPolarHBondContact O-CA 3.36Å; K1169-G1171 VanDerWaalsContact C-N 3.27Å; G1171-G1173 PolarHBondContact O-N 2.9Å | ||
| 1172 | L | 46 | Very low | 55.7 | Low | 66 Ų | 66 | 76.6 Ų | 76.6 | 35% | 0.346 | 44% | 0.441 | S | S | . | . | trans | -71.3 | 114.1 | 161.2 | -66 | 170.4 | 0 | 0 | 0 | 107.5 | T1167 L1176 V1177 L1180 L1182 | T1167-L1172 HydrophobicContact CG2-CD2 3.79Å; T1167-L1172 HydrophobicContact CG2-CG 4.48Å; L1172-L1176 HydrophobicContact CD2-CD2 3.7Å; L1172-L1176 HydrophobicContact CD2-CG 4.09Å; L1172-V1177 HydrophobicContact CB-CG2 3.51Å; L1172-V1177 HydrophobicContact CD1-CG2 4.36Å; L1172-L1180 HydrophobicContact CD2-CD1 4.38Å; L1172-L1182 HydrophobicContact CD1-CD1 4.34Å | ||
| 1173 | G | 48.7 | Very low | 54.1 | Low | 44 Ų | 44 | 77.1 Ų | 77.1 | 45% | 0.454 | 45% | 0.453 | S | S | . | . | trans | -61.5 | 149.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G1171 D1175 L1176 V1177 | G1171-G1173 PolarHBondContact O-N 2.9Å; G1173-D1175 PolarHBondContact O-N 3.04Å; G1173-D1175 VanDerWaalsContact O-N 3.12Å; G1173-L1176 WeakPolarHBondContact O-CA 3.12Å; G1173-L1176 PolarHBondContact O-N 3.37Å; G1173-V1177 PolarHBondContact O-N 3.47Å; G1173-V1177 VanDerWaalsContact O-N 3.14Å | ||
| 1174 | D | 49.2 | Very low | 52.6 | Low | 138 Ų | 138 | 86.7 Ų | 86.7 | 74% | 0.738 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -53.9 | -38.6 | -169.6 | -65.2 | -54.9 | 0 | 0 | 0 | 113.3 | L1176 V1177 Q1178 | D1174-L1176 PolarHBondContact O-N 2.98Å; D1174-V1177 PolarHBondContact O-N 3.2Å; D1174-Q1178 VanDerWaalsContact O-CB 3.3Å; D1174-Q1178 WeakPolarHBondContact O-CB 3.35Å; D1174-Q1178 PolarHBondContact O-N 3.33Å |
| 1175 | D | 48.8 | Very low | 50.8 | Low | 140 Ų | 140 | 87.5 Ų | 87.5 | 75% | 0.749 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -52.6 | -38.2 | 174.1 | -60.7 | -32.7 | 0 | 0 | 0 | 112.9 | G1173 A1179 | G1173-D1175 PolarHBondContact O-N 3.04Å; G1173-D1175 VanDerWaalsContact O-N 3.12Å; D1175-A1179 VanDerWaalsContact O-CB 3.26Å; D1175-A1179 WeakPolarHBondContact O-CB 3.09Å; D1175-A1179 PolarHBondContact O-N 3.48Å |
| 1176 | L | 50.4 | Low | 49.4 | Very low | 72 Ų | 72 | 93 Ų | 93 | 38% | 0.377 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -86.5 | -32.4 | -178.3 | -170.9 | 59 | 0 | 0 | 0 | 111.9 | L1172 G1173 D1174 Q1178 A1179 L1180 | L1172-L1176 HydrophobicContact CD2-CD2 3.7Å; L1172-L1176 HydrophobicContact CD2-CG 4.09Å; G1173-L1176 WeakPolarHBondContact O-CA 3.12Å; G1173-L1176 PolarHBondContact O-N 3.37Å; D1174-L1176 PolarHBondContact O-N 2.98Å; L1176-Q1178 VanDerWaalsContact C-N 3.25Å; L1176-Q1178 PolarHBondContact O-N 3.48Å; L1176-A1179 PolarHBondContact O-N 3.49Å; L1176-L1180 HydrophobicContact CD1-CD1 4.22Å; L1176-L1180 HydrophobicContact CD1-CG 4.19Å; L1176-L1180 HydrophobicContact CG-CD1 4.02Å; L1176-L1180 HydrophobicContact CG-CG 4.42Å; L1176-L1180 VanDerWaalsContact O-CB 3.3Å; L1176-L1180 WeakPolarHBondContact O-CB 3.3Å; L1176-L1180 VanDerWaalsContact O-CG 3.24Å; L1176-L1180 WeakPolarHBondContact O-CG 3.29Å; L1176-L1180 PolarHBondContact O-N 3.25Å |
| 1177 | V | 53.3 | Low | 47.9 | Very low | 35 Ų | 35 | 94.1 Ų | 94.1 | 21% | 0.212 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -60.1 | -41.2 | 167.8 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | L1172 G1173 D1174 G1181 L1182 | L1172-V1177 HydrophobicContact CB-CG2 3.51Å; L1172-V1177 HydrophobicContact CD1-CG2 4.36Å; G1173-V1177 PolarHBondContact O-N 3.47Å; G1173-V1177 VanDerWaalsContact O-N 3.14Å; D1174-V1177 PolarHBondContact O-N 3.2Å; V1177-G1181 PolarHBondContact O-N 3.24Å; V1177-L1182 HydrophobicContact CG1-CB 4.09Å; V1177-L1182 PolarHBondContact O-N 3.09Å |
| 1178 | Q | 49.8 | Very low | 46.5 | Very low | 147 Ų | 147 | 100.4 Ų | 100.4 | 69% | 0.687 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.3 | -41.4 | 178.2 | -165.5 | 167.6 | 48.8 | 0 | 0 | 112 | D1174 L1176 L1180 G1181 | D1174-Q1178 VanDerWaalsContact O-CB 3.3Å; D1174-Q1178 WeakPolarHBondContact O-CB 3.35Å; D1174-Q1178 PolarHBondContact O-N 3.33Å; L1176-Q1178 VanDerWaalsContact C-N 3.25Å; L1176-Q1178 PolarHBondContact O-N 3.48Å; Q1178-L1180 VanDerWaalsContact C-N 3.33Å; Q1178-L1180 PolarHBondContact O-N 3.11Å; Q1178-G1181 PolarHBondContact O-N 3.44Å |
| 1179 | A | 46.2 | Very low | 45.2 | Very low | 81 Ų | 81 | 102.8 Ų | 102.8 | 67% | 0.669 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.3 | -29 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1175 L1176 | D1175-A1179 VanDerWaalsContact O-CB 3.26Å; D1175-A1179 WeakPolarHBondContact O-CB 3.09Å; D1175-A1179 PolarHBondContact O-N 3.48Å; L1176-A1179 PolarHBondContact O-N 3.49Å |
| 1180 | L | 44.6 | Very low | 44 | Very low | 100 Ų | 100 | 107 Ų | 107 | 52% | 0.524 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | -2 | 174.7 | -66.7 | 171.7 | 0 | 0 | 0 | 113.5 | L1172 L1176 Q1178 L1182 | L1172-L1180 HydrophobicContact CD2-CD1 4.38Å; L1176-L1180 HydrophobicContact CD1-CD1 4.22Å; L1176-L1180 HydrophobicContact CD1-CG 4.19Å; L1176-L1180 HydrophobicContact CG-CD1 4.02Å; L1176-L1180 HydrophobicContact CG-CG 4.42Å; L1176-L1180 VanDerWaalsContact O-CB 3.3Å; L1176-L1180 WeakPolarHBondContact O-CB 3.3Å; L1176-L1180 VanDerWaalsContact O-CG 3.24Å; L1176-L1180 WeakPolarHBondContact O-CG 3.29Å; L1176-L1180 PolarHBondContact O-N 3.25Å; Q1178-L1180 VanDerWaalsContact C-N 3.33Å; Q1178-L1180 PolarHBondContact O-N 3.11Å; L1180-L1182 HydrophobicContact CB-CD1 3.98Å; L1180-L1182 HydrophobicContact CB-CG 4.02Å; L1180-L1182 HydrophobicContact CD1-CD1 4.28Å; L1180-L1182 PolarHBondContact O-N 3.18Å |
| 1181 | G | 41.5 | Very low | 43.6 | Very low | 59 Ų | 59 | 108.2 Ų | 108.2 | 61% | 0.608 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.5 | 18 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1177 Q1178 S1183 | V1177-G1181 PolarHBondContact O-N 3.24Å; Q1178-G1181 PolarHBondContact O-N 3.44Å; G1181-S1183 VanDerWaalsContact C-N 3.31Å; G1181-S1183 PolarHBondContact O-N 2.79Å |
| 1182 | L | 46.9 | Very low | 43.5 | Very low | 109 Ų | 109 | 112.1 Ų | 112.1 | 57% | 0.571 | 67% | 0.674 | S | S | * | * | trans | -86.9 | 4.4 | -174 | -66.8 | 175 | 0 | 0 | 0 | 113.8 | L1172 V1177 L1180 K1184 | L1172-L1182 HydrophobicContact CD1-CD1 4.34Å; V1177-L1182 HydrophobicContact CG1-CB 4.09Å; V1177-L1182 PolarHBondContact O-N 3.09Å; L1180-L1182 HydrophobicContact CB-CD1 3.98Å; L1180-L1182 HydrophobicContact CB-CG 4.02Å; L1180-L1182 HydrophobicContact CD1-CD1 4.28Å; L1180-L1182 PolarHBondContact O-N 3.18Å; L1182-K1184 PolarHBondContact O-N 2.86Å | ||
| 1183 | S | 38 | Very low | 43.3 | Very low | 79 Ų | 79 | 114.6 Ų | 114.6 | 55% | 0.552 | 69% | 0.692 | S | S | * | * | trans | -67.6 | 101.5 | 175.6 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | G1181 G1185 | G1181-S1183 VanDerWaalsContact C-N 3.31Å; G1181-S1183 PolarHBondContact O-N 2.79Å; S1183-G1185 PolarHBondContact O-N 3.35Å; S1183-G1185 VanDerWaalsContact O-N 3.17Å | ||
| 1184 | K | 43 | Very low | 43 | Very low | 204 Ų | 204 | 118.8 Ų | 118.8 | 89% | 0.887 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 117.8 | 169.9 | -80.1 | -172.4 | 173.8 | -176.4 | 0 | 110.4 | L1182 | L1182-K1184 PolarHBondContact O-N 2.86Š|
| 1185 | G | 36.7 | Very low | 42.6 | Very low | 66 Ų | 66 | 117.6 Ų | 117.6 | 68% | 0.68 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 139.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1183 G1187 | S1183-G1185 PolarHBondContact O-N 3.35Å; S1183-G1185 VanDerWaalsContact O-N 3.17Å; G1185-G1187 PolarHBondContact O-N 3.27Å |
| 1186 | P | 40.8 | Very low | 42.2 | Very low | 134 Ų | 134 | 116.1 Ų | 116.1 | 87% | 0.87 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -79.9 | 118.7 | 178.9 | 30.5 | -32.9 | 0 | 0 | 0 | 111.7 | ||
| 1187 | G | 36.1 | Very low | 41.6 | Very low | 73 Ų | 73 | 119.2 Ų | 119.2 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | 93.1 | 99.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | G1185 | G1185-G1187 PolarHBondContact O-N 3.27Š| ||
| 1188 | L | 32.3 | Very low | 40.7 | Very low | 180 Ų | 180 | 125.7 Ų | 125.7 | 94% | 0.942 | 76% | 0.764 | S | S | * | * | trans | -160.4 | 138.7 | 130.4 | -111.2 | 156.4 | 0 | 0 | 0 | 109.1 | ||||
| 1189 | E | 38.7 | Very low | 39.9 | Very low | 183 Ų | 183 | 123.9 Ų | 123.9 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | -86.3 | 135.4 | 179.1 | -57.9 | 172.5 | 128.1 | 0 | 0 | 110.5 | ||||
| 1190 | V | 34.7 | Very low | 39.4 | Very low | 219 Ų | 219 | 127.8 Ų | 127.8 | 100% | 1.327 | 78% | 0.779 | S | S | * | * | -154.2 | 0 | 120.9 | 174.6 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 1,190 of 1,190 residues in 1297.6 ms
(Link to these results)