| 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 | I | 29.6 | Very low | 33.4 | Very low | 142 Ų | 142 | 107.1 Ų | 107.1 | 73% | 0.728 | 60% | 0.6 | S | S | * | * | 0 | 116.8 | 0 | -73.3 | 157.1 | 0 | 0 | 0 | 106 | C3 E27 | I1-C3 PolarHBondContact O-N 2.97Å; I1-E27 HydrophobicContact CD1-CG 4.1Å; I1-E27 WeakPolarHBondContact CD1-OE1 3.19Å | |||
| 2 | E | 27.9 | Very low | 34.6 | Very low | 116 Ų | 116 | 107.3 Ų | 107.3 | 54% | 0.542 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.3 | 111 | 176 | -74.6 | -177.6 | 148.5 | 0 | 0 | 108 | C4 K17 | E2-C4 PolarHBondContact O-N 3.01Å; E2-K17 IonicContact OE1-NZ 3.57Å; E2-K17 PolarHBondContact OE1-NZ 2.87Å |
| 3 | C | 31 | Very low | 35.9 | Very low | 59 Ų | 59 | 106.2 Ų | 106.2 | 40% | 0.399 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.1 | 82.2 | 163.7 | -76.6 | 0 | 0 | 0 | 0 | 107.3 | I1 F5 | I1-C3 PolarHBondContact O-N 2.97Å; C3-F5 HydrophobicContact CB-CE2 4.47Å; C3-F5 PolarHBondContact O-N 3.05Å |
| 4 | C | 30.7 | Very low | 37.4 | Very low | 79 Ų | 79 | 103.4 Ų | 103.4 | 53% | 0.534 | 60% | 0.598 | S | S | . | * | trans | -64.7 | 98.7 | 171.8 | -86.9 | 0 | 0 | 0 | 0 | 109.5 | E2 S6 | E2-C4 PolarHBondContact O-N 3.01Å; C4-S6 PolarHBondContact O-N 2.86Å | ||
| 5 | F | 35.8 | Very low | 39.4 | Very low | 80 Ų | 80 | 108.4 Ų | 108.4 | 35% | 0.351 | 61% | 0.614 | S | S | . | * | trans | -74.4 | 73.4 | 159 | -80.1 | -89 | 0 | 0 | 0 | 108.5 | C3 M7 F39 V51 | C3-F5 HydrophobicContact CB-CE2 4.47Å; C3-F5 PolarHBondContact O-N 3.05Å; F5-M7 PolarHBondContact O-N 3.24Å; F5-F39 AromaticContact CD2-CZ 3.88Å; F5-F39 HydrophobicContact CD2-CZ 3.88Å; F5-F39 HydrophobicContact CE2-CE1 4.36Å; F5-F39 AromaticContact CE2-CZ 3.72Å; F5-F39 HydrophobicContact CE2-CZ 3.72Å; F5-F39 HydrophobicContact CG-CZ 4.38Å; F5-F39 HydrophobicContact CZ-CZ 4.1Å; F5-V51 HydrophobicContact CD2-CB 4.35Å; F5-V51 HydrophobicContact CD2-CG2 4.2Å | ||
| 6 | S | 31.5 | Very low | 41.8 | Very low | 83 Ų | 83 | 102 Ų | 102 | 58% | 0.58 | 58% | 0.579 | S | S | * | * | trans | -77.2 | 98.1 | 169 | 169.6 | 0 | 0 | 0 | 0 | 108.3 | C4 | C4-S6 PolarHBondContact O-N 2.86Š| ||
| 7 | M | 35.5 | Very low | 44.2 | Very low | 108 Ų | 108 | 99.3 Ų | 99.3 | 53% | 0.532 | 56% | 0.559 | S | S | . | * | trans | -94.6 | 119.7 | 158.2 | -77.4 | -143.7 | -69.1 | 0 | 0 | 108.3 | F5 | F5-M7 PolarHBondContact O-N 3.24Š| ||
| 8 | F | 32 | Very low | 46.4 | Very low | 206 Ų | 206 | 93.8 Ų | 93.8 | 90% | 0.904 | 53% | 0.528 | S | S | * | . | trans | -53 | 137.7 | -172.1 | -74.6 | -88.7 | 0 | 0 | 0 | 114.6 | ||||
| 9 | G | 32.4 | Very low | 48.3 | Very low | 42 Ų | 42 | 88.8 Ų | 88.8 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | trans | 168.1 | 99.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 113 | D11 I48 | G9-D11 PolarHBondContact O-N 3.37Å; G9-I48 WeakPolarHBondContact O-CD1 3.37Å | ||
| 10 | S | 43.1 | Very low | 50.2 | Low | 114 Ų | 114 | 84.5 Ų | 84.5 | 80% | 0.797 | 48% | 0.476 | S | S | * | . | trans | -68.1 | 113.5 | 174.9 | 52.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 11 | D | 37.5 | Very low | 51.7 | Low | 149 Ų | 149 | 83.9 Ų | 83.9 | 80% | 0.797 | 47% | 0.469 | S | S | * | . | -178.5 | 143.7 | 125 | -114.4 | -19.9 | 0 | 0 | 0 | 109.8 | G9 | G9-D11 PolarHBondContact O-N 3.37Š| |||
| 12 | S | 48.5 | Very low | 54.3 | Low | 109 Ų | 109 | 77.6 Ų | 77.6 | 76% | 0.762 | 44% | 0.438 | S | S | * | . | trans | -56.5 | 134.5 | -169.2 | 54.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 13 | S | 50.6 | Low | 56.9 | Low | 94 Ų | 94 | 72.6 Ų | 72.6 | 66% | 0.657 | 42% | 0.418 | S | S | * | . | S | Bend | 166.9 | -16.3 | 117.1 | 64.1 | 0 | 0 | 0 | 0 | 114.4 | |||
| 14 | D | 58 | Low | 59.3 | Low | 67 Ų | 67 | 73.2 Ų | 73.2 | 36% | 0.358 | 42% | 0.423 | S | S | . | . | trans | -117.9 | 74.3 | -168.2 | -60.7 | -0 | 0 | 0 | 0 | 110.5 | G16 F77 | D14-G16 PolarHBondContact O-N 3.25Å; D14-F77 HydrophobicContact CB-CE1 4.4Å; D14-F77 HydrophobicContact CB-CZ 3.81Å | ||
| 15 | E | 67 | Low | 61.6 | Low | 178 Ų | 178 | 73.1 Ų | 73.1 | 83% | 0.832 | 42% | 0.417 | S | S | * | . | trans | -83.2 | 98.9 | 176.5 | -73.6 | -173.6 | 175.7 | 0 | 0 | 110.5 | ||||
| 16 | G | 77.3 | Confident | 63.7 | Low | 6 Ų | 6 | 70.3 Ų | 70.3 | 6% | 0.062 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 137 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | D14 F49 T50 | D14-G16 PolarHBondContact O-N 3.25Å; G16-F49 CarbonylContact O-C 3.55Å; G16-F49 WeakPolarHBondContact O-CA 3.17Å; G16-F49 VanDerWaalsContact O-CB 3.28Å; G16-F49 WeakPolarHBondContact O-CB 3.25Å; G16-T50 PolarHBondContact O-N 2.87Å |
| 17 | K | 83.8 | Confident | 66 | Low | 56 Ų | 56 | 71.7 Ų | 71.7 | 24% | 0.243 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.1 | 168.2 | -165.9 | 174.1 | 175.2 | 156.9 | 0 | 109.5 | E2 E19 T50 T52 M75 T76 | E2-K17 IonicContact OE1-NZ 3.57Å; E2-K17 PolarHBondContact OE1-NZ 2.87Å; K17-E19 WeakPolarHBondContact CD-OE1 3.4Å; K17-E19 WeakPolarHBondContact CE-OE1 3.33Å; K17-E19 WeakPolarHBondContact CG-OE1 3.41Å; K17-T50 WeakPolarHBondContact CA-O 3.45Å; K17-T52 WeakPolarHBondContact CE-OG1 3.48Å; K17-T52 PolarHBondContact NZ-OG1 3.33Å; K17-M75 CarbonylContact O-C 3.57Å; K17-M75 WeakPolarHBondContact O-CA 3.18Å; K17-M75 WeakPolarHBondContact O-CG 3.16Å; K17-T76 PolarHBondContact N-O 2.71Å; K17-T76 PolarHBondContact O-N 3.21Å |
| 18 | L | 83.8 | Confident | 68.3 | Low | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 119.5 | 178 | 176.5 | 62.7 | 0 | 0 | 0 | 109.4 | L20 I38 F39 L42 F49 T50 V51 T52 M75 | L18-L20 HydrophobicContact CD1-CD2 3.77Å; L18-L20 HydrophobicContact CD2-CD1 4.33Å; L18-L20 HydrophobicContact CD2-CD2 3.7Å; L18-L20 HydrophobicContact CD2-CG 4.18Å; L18-L20 HydrophobicContact CG-CD2 3.53Å; L18-L20 HydrophobicContact CG-CG 4.02Å; L18-I38 HydrophobicContact CD1-CB 4.33Å; L18-I38 HydrophobicContact CD1-CG2 3.72Å; L18-I38 HydrophobicContact CD2-CG2 4.27Å; L18-F39 HydrophobicContact CD2-CB 3.88Å; L18-F39 HydrophobicContact CD2-CD2 4.48Å; L18-F39 HydrophobicContact CD2-CG 4.2Å; L18-L42 HydrophobicContact CB-CD1 4.03Å; L18-L42 HydrophobicContact CD2-CD1 3.73Å; L18-L42 HydrophobicContact CG-CD1 4.35Å; L18-F49 HydrophobicContact CB-CD2 4.31Å; L18-F49 HydrophobicContact CD2-CE2 4.46Å; L18-T50 PolarHBondContact N-O 2.89Å; L18-V51 WeakPolarHBondContact O-CA 3.34Å; L18-T52 PolarHBondContact O-N 2.75Å; L18-M75 HydrophobicContact CD1-CE 4.39Å |
| 19 | E | 82.6 | Confident | 70.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 117.6 | 175.9 | -69.6 | 80.3 | -170.7 | 0 | 0 | 110.8 | K17 T52 V54 L63 P73 F74 | K17-E19 WeakPolarHBondContact CD-OE1 3.4Å; K17-E19 WeakPolarHBondContact CE-OE1 3.33Å; K17-E19 WeakPolarHBondContact CG-OE1 3.41Å; E19-T52 WeakPolarHBondContact CA-O 3.36Å; E19-V54 HydrophobicContact CB-CG2 3.98Å; E19-V54 HydrophobicContact CG-CG2 4.28Å; E19-L63 HydrophobicContact CG-CD2 4.25Å; E19-P73 WeakPolarHBondContact O-CA 3.22Å; E19-F74 HydrophobicContact CB-CD1 4.28Å; E19-F74 HydrophobicContact CB-CD2 3.88Å; E19-F74 HydrophobicContact CB-CE1 3.97Å; E19-F74 HydrophobicContact CB-CE2 3.56Å; E19-F74 HydrophobicContact CB-CG 4.24Å; E19-F74 HydrophobicContact CB-CZ 3.59Å; E19-F74 HydrophobicContact CG-CD2 4.08Å; E19-F74 HydrophobicContact CG-CE2 3.43Å; E19-F74 VanDerWaalsContact CG-CE2 3.43Å; E19-F74 HydrophobicContact CG-CZ 3.71Å; E19-F74 PolarHBondContact N-O 3.02Å; E19-F74 PolarHBondContact O-N 3.08Å; E19-F74 WeakPolarHBondContact OE2-CD2 3.33Å |
| 20 | L | 85.2 | Confident | 73.5 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 155 | -179.3 | -56.8 | -172.2 | 0 | 0 | 0 | 111.1 | L18 A22 F39 V51 T52 T53 V54 P73 | L18-L20 HydrophobicContact CD1-CD2 3.77Å; L18-L20 HydrophobicContact CD2-CD1 4.33Å; L18-L20 HydrophobicContact CD2-CD2 3.7Å; L18-L20 HydrophobicContact CD2-CG 4.18Å; L18-L20 HydrophobicContact CG-CD2 3.53Å; L18-L20 HydrophobicContact CG-CG 4.02Å; L20-A22 PolarHBondContact O-N 2.61Å; L20-F39 HydrophobicContact CD1-CD1 3.72Å; L20-F39 HydrophobicContact CD1-CE1 4.29Å; L20-F39 HydrophobicContact CD1-CG 4.4Å; L20-V51 HydrophobicContact CD1-CG1 3.71Å; L20-V51 HydrophobicContact CG-CG1 4.01Å; L20-T52 PolarHBondContact N-O 2.75Å; L20-T53 CarbonylContact O-C 3.41Å; L20-T53 WeakPolarHBondContact O-CA 3.32Å; L20-V54 PolarHBondContact O-N 3.12Å; L20-P73 HydrophobicContact CD2-CB 4.4Å |
| 21 | E | 82.3 | Confident | 75.6 | Confident | 72 Ų | 72 | 54.1 Ų | 54.1 | 34% | 0.336 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 132.9 | 170 | -169.8 | 173.6 | -179.9 | 0 | 0 | 109.6 | G30 V56 P72 | E21-G30 WeakPolarHBondContact O-CA 3.2Å; E21-G30 PolarHBondContact O-N 2.78Å; E21-V56 HydrophobicContact CG-CG1 4.29Å; E21-P72 HydrophobicContact CB-CB 4.24Å |
| 22 | A | 83.9 | Confident | 78.1 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 8% | 0.083 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 152.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L20 S28 V54 | L20-A22 PolarHBondContact O-N 2.61Å; A22-S28 CarbonylContact C-O 3.12Å; A22-S28 VanDerWaalsContact CA-O 3.29Å; A22-S28 WeakPolarHBondContact CA-O 3.19Å; A22-V54 WeakPolarHBondContact CB-O 3.42Å; A22-V54 PolarHBondContact N-O 3.28Å |
| 23 | G | 81.4 | Confident | 80.2 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | trans | -67.2 | -178.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D25 G26 S28 | G23-D25 PolarHBondContact O-N 3.25Å; G23-D25 VanDerWaalsContact O-N 3.14Å; G23-G26 PolarHBondContact O-N 3.37Å; G23-S28 PolarHBondContact N-O 2.86Å | ||
| 24 | S | 81.4 | Confident | 82.1 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 51% | 0.51 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.6 | -178.6 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | G26 E239 | S24-G26 VanDerWaalsContact C-N 3.34Å; S24-E239 VanDerWaalsContact CB-OE2 3.27Å; S24-E239 WeakPolarHBondContact CB-OE2 3.36Å; S24-E239 PolarHBondContact N-OE2 2.71Å; S24-E239 PolarHBondContact OG-OE1 2.96Å; S24-E239 PolarHBondContact OG-OE2 2.92Å |
| 25 | D | 80.8 | Confident | 83.7 | Confident | 76 Ų | 76 | 39.9 Ų | 39.9 | 41% | 0.406 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -8.2 | 173.7 | 59.5 | 9.5 | 0 | 0 | 0 | 114.1 | G23 E27 S28 R238 | G23-D25 PolarHBondContact O-N 3.25Å; G23-D25 VanDerWaalsContact O-N 3.14Å; D25-E27 PolarHBondContact O-N 3.18Å; D25-E27 PolarHBondContact OD1-N 3.43Å; D25-S28 WeakPolarHBondContact OD1-CB 3.38Å; D25-S28 PolarHBondContact OD1-N 2.93Å; D25-S28 PolarHBondContact OD1-OG 3.09Å; D25-S28 WeakPolarHBondContact OD2-CB 3.32Å; D25-S28 PolarHBondContact OD2-OG 3.13Å; D25-S28 VanDerWaalsContact OD2-OG 3.08Å; D25-R238 IonicContact OD2-NH2 2.87Å |
| 26 | G | 78.8 | Confident | 84.9 | Confident | 22 Ų | 22 | 31.7 Ų | 31.7 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 77.3 | 4.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G23 S24 | G23-G26 PolarHBondContact O-N 3.37Å; S24-G26 VanDerWaalsContact C-N 3.34Å |
| 27 | E | 79.9 | Confident | 85.8 | Confident | 111 Ų | 111 | 32.3 Ų | 32.3 | 52% | 0.519 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -127.6 | -44.5 | -175.6 | -64.4 | -174.7 | 172.7 | 0 | 0 | 112.9 | I1 D25 T53 | I1-E27 HydrophobicContact CD1-CG 4.1Å; I1-E27 WeakPolarHBondContact CD1-OE1 3.19Å; D25-E27 PolarHBondContact O-N 3.18Å; D25-E27 PolarHBondContact OD1-N 3.43Å; E27-T53 WeakPolarHBondContact O-CB 3.29Å; E27-T53 WeakPolarHBondContact O-CG2 3.47Å; E27-T53 PolarHBondContact O-OG1 2.9Å |
| 28 | S | 84 | Confident | 86.3 | Confident | 33 Ų | 33 | 29.6 Ų | 29.6 | 23% | 0.231 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -72.5 | 172 | -176 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | A22 G23 D25 G30 | A22-S28 CarbonylContact C-O 3.12Å; A22-S28 VanDerWaalsContact CA-O 3.29Å; A22-S28 WeakPolarHBondContact CA-O 3.19Å; G23-S28 PolarHBondContact N-O 2.86Å; D25-S28 WeakPolarHBondContact OD1-CB 3.38Å; D25-S28 PolarHBondContact OD1-N 2.93Å; D25-S28 PolarHBondContact OD1-OG 3.09Å; D25-S28 WeakPolarHBondContact OD2-CB 3.32Å; D25-S28 PolarHBondContact OD2-OG 3.13Å; D25-S28 VanDerWaalsContact OD2-OG 3.08Å; S28-G30 PolarHBondContact O-N 2.9Å |
| 29 | I | 86.8 | Confident | 86.8 | Confident | 36 Ų | 36 | 29.6 Ų | 29.6 | 19% | 0.185 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -69.6 | 122.7 | 174.5 | -61.8 | 172.3 | 0 | 0 | 0 | 109.1 | F39 P235 | I29-F39 HydrophobicContact CD1-CE1 3.91Å; I29-P235 HydrophobicContact CG2-CB 4.44Å; I29-P235 WeakPolarHBondContact O-CB 3.41Å |
| 30 | G | 86.3 | Confident | 87.4 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -76.8 | 163.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E21 S28 C32 | E21-G30 WeakPolarHBondContact O-CA 3.2Å; E21-G30 PolarHBondContact O-N 2.78Å; S28-G30 PolarHBondContact O-N 2.9Å; G30-C32 PolarHBondContact O-N 2.69Å |
| 31 | N | 88 | Confident | 87.9 | Confident | 28 Ų | 28 | 29.6 Ų | 29.6 | 15% | 0.15 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -77.2 | 84.6 | 178.2 | 178.6 | 78.5 | 0 | 0 | 0 | 111.4 | T240 A243 | N31-T240 WeakPolarHBondContact OD1-CB 3.1Å; N31-T240 WeakPolarHBondContact OD1-CG2 3.45Å; N31-T240 PolarHBondContact OD1-OG1 3.49Å; N31-A243 HydrophobicContact CB-CB 3.76Å |
| 32 | C | 89.8 | Confident | 88.3 | Confident | 14 Ų | 14 | 26.2 Ų | 26.2 | 10% | 0.095 | 15% | 0.151 | C | C | . | . | trans | -134.1 | 110.6 | 172.1 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | G30 F34 S35 Q36 | G30-C32 PolarHBondContact O-N 2.69Å; C32-F34 PolarHBondContact O-N 2.85Å; C32-S35 WeakPolarHBondContact CB-OG 3.32Å; C32-S35 WeakPolarHBondContact O-CB 3.27Å; C32-S35 PolarHBondContact O-N 3.04Å; C32-S35 PolarHBondContact SG-N 3.14Å; C32-S35 VanDerWaalsContact SG-N 3.42Å; C32-S35 PolarHBondContact SG-OG 3.19Å; C32-Q36 PolarHBondContact O-N 3.44Å; C32-Q36 VanDerWaalsContact O-N 3.09Å | ||
| 33 | P | 92.1 | Very high | 88.7 | Confident | 13 Ų | 13 | 27 Ų | 27 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66 | -24.8 | -178.5 | 24.6 | -31.3 | 0 | 0 | 0 | 112.7 | R37 F122 P193 K194 I197 | P33-R37 WeakPolarHBondContact O-CB 3.3Å; P33-R37 PolarHBondContact O-N 2.85Å; P33-F122 HydrophobicContact CG-CZ 4.29Å; P33-P193 HydrophobicContact CB-CB 3.77Å; P33-P193 WeakPolarHBondContact O-CB 3.39Å; P33-K194 HydrophobicContact CB-CG 4.06Å; P33-I197 HydrophobicContact CB-CD1 3.72Å; P33-I197 HydrophobicContact CG-CD1 3.77Å |
| 34 | F | 91.1 | Very high | 89.3 | Confident | 90 Ų | 90 | 27.5 Ų | 27.5 | 40% | 0.395 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -75.1 | -39.8 | 176.9 | -53.3 | -69.5 | 0 | 0 | 0 | 112.2 | C32 R37 I38 P73 V85 | C32-F34 PolarHBondContact O-N 2.85Å; F34-R37 WeakPolarHBondContact O-CB 3.37Å; F34-R37 PolarHBondContact O-N 3.38Å; F34-I38 PolarHBondContact O-N 3.23Å; F34-P73 HydrophobicContact CB-CG 4.02Å; F34-V85 HydrophobicContact CB-CG1 4.3Å; F34-V85 HydrophobicContact CB-CG2 3.73Å; F34-V85 HydrophobicContact CD1-CG1 4.49Å; F34-V85 HydrophobicContact CG-CG2 4.34Å |
| 35 | S | 90.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.1 | -48.4 | 171.8 | -70.9 | 0 | 0 | 0 | 0 | 111 | C32 R37 I38 F39 P73 | C32-S35 WeakPolarHBondContact CB-OG 3.32Å; C32-S35 WeakPolarHBondContact O-CB 3.27Å; C32-S35 PolarHBondContact O-N 3.04Å; C32-S35 PolarHBondContact SG-N 3.14Å; C32-S35 VanDerWaalsContact SG-N 3.42Å; C32-S35 PolarHBondContact SG-OG 3.19Å; S35-R37 VanDerWaalsContact C-N 3.34Å; S35-R37 PolarHBondContact O-N 3.02Å; S35-I38 PolarHBondContact O-N 3.12Å; S35-F39 WeakPolarHBondContact O-CB 3.28Å; S35-F39 PolarHBondContact O-N 3.06Å; S35-P73 WeakPolarHBondContact OG-CB 3.47Å |
| 36 | Q | 93.9 | Very high | 89.9 | Confident | 6 Ų | 6 | 22.7 Ų | 22.7 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 177.6 | -171.6 | 177.5 | 5.1 | 0 | 0 | 111.8 | C32 I38 F39 M40 P193 T233 C234 | C32-Q36 PolarHBondContact O-N 3.44Å; C32-Q36 VanDerWaalsContact O-N 3.09Å; Q36-I38 PolarHBondContact O-N 3.2Å; Q36-F39 PolarHBondContact O-N 2.91Å; Q36-M40 HydrophobicContact CG-CG 4.35Å; Q36-M40 HydrophobicContact CG-SD 4.31Å; Q36-M40 VanDerWaalsContact O-CG 3.29Å; Q36-M40 WeakPolarHBondContact O-CG 3.38Å; Q36-M40 PolarHBondContact O-N 3.1Å; Q36-P193 HydrophobicContact CB-CB 3.99Å; Q36-P193 HydrophobicContact CB-CG 3.95Å; Q36-P193 HydrophobicContact CG-CB 4.13Å; Q36-P193 HydrophobicContact CG-CG 3.81Å; Q36-T233 WeakPolarHBondContact CG-O 3.18Å; Q36-T233 WeakPolarHBondContact CG-OG1 3.32Å; Q36-T233 PolarHBondContact NE2-OG1 3.21Å; Q36-C234 PolarHBondContact NE2-SG 2.83Å |
| 37 | R | 95.2 | Very high | 90.2 | Very high | 19 Ų | 19 | 22.5 Ų | 22.5 | 7% | 0.072 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -52.8 | -53.2 | 175.5 | 175 | -177.5 | -177.1 | -174.3 | 4.8 | 111.9 | P33 F34 S35 F39 M40 I41 N86 E89 C189 N190 | P33-R37 WeakPolarHBondContact O-CB 3.3Å; P33-R37 PolarHBondContact O-N 2.85Å; F34-R37 WeakPolarHBondContact O-CB 3.37Å; F34-R37 PolarHBondContact O-N 3.38Å; S35-R37 VanDerWaalsContact C-N 3.34Å; S35-R37 PolarHBondContact O-N 3.02Å; R37-F39 VanDerWaalsContact C-N 3.33Å; R37-F39 PolarHBondContact O-N 3.29Å; R37-M40 PolarHBondContact O-N 3.27Å; R37-I41 HydrophobicContact CG-CD1 4.03Å; R37-I41 VanDerWaalsContact O-CG1 3.29Å; R37-I41 WeakPolarHBondContact O-CG1 3.42Å; R37-I41 PolarHBondContact O-N 3.17Å; R37-I41 VanDerWaalsContact O-N 3.12Å; R37-N86 PolarHBondContact NH1-OD1 3.38Å; R37-E89 IonicContact CZ-OE1 3.02Å; R37-E89 IonicContact CZ-OE2 3.72Å; R37-E89 IonicContact NE-OE2 2.67Å; R37-E89 PolarHBondContact NE-OE2 3.42Å; R37-E89 IonicContact NH2-OE1 3.7Å; R37-E89 PolarHBondContact NH2-OE1 2.73Å; R37-E89 IonicContact NH2-OE2 3.21Å; R37-E89 PolarHBondContact NH2-OE2 3.09Å; R37-C189 WeakPolarHBondContact CA-O 3.49Å; R37-C189 VanDerWaalsContact CB-O 3.27Å; R37-C189 WeakPolarHBondContact CB-O 3.39Å; R37-C189 HydrophobicContact CG-CB 4.13Å; R37-C189 WeakPolarHBondContact CG-O 3.31Å; R37-N190 PolarHBondContact NH1-OD1 2.89Å |
| 38 | I | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | -179.4 | -58.9 | -51.6 | 0 | 0 | 0 | 111.3 | L18 F34 S35 Q36 M40 I41 L42 M75 V85 I88 E89 L92 | L18-I38 HydrophobicContact CD1-CB 4.33Å; L18-I38 HydrophobicContact CD1-CG2 3.72Å; L18-I38 HydrophobicContact CD2-CG2 4.27Å; F34-I38 PolarHBondContact O-N 3.23Å; S35-I38 PolarHBondContact O-N 3.12Å; Q36-I38 PolarHBondContact O-N 3.2Å; I38-M40 PolarHBondContact O-N 3.05Å; I38-I41 HydrophobicContact CD1-CD1 4.17Å; I38-I41 PolarHBondContact O-N 3.18Å; I38-L42 HydrophobicContact CG2-CD1 4.32Å; I38-L42 WeakPolarHBondContact O-CG 3.42Å; I38-L42 PolarHBondContact O-N 3.06Å; I38-M75 HydrophobicContact CG2-CE 4.03Å; I38-V85 HydrophobicContact CD1-CG1 3.88Å; I38-V85 HydrophobicContact CG1-CG1 4.15Å; I38-I88 HydrophobicContact CD1-CB 4.18Å; I38-I88 HydrophobicContact CD1-CG2 3.87Å; I38-I88 HydrophobicContact CG1-CG2 4.25Å; I38-I88 HydrophobicContact CG2-CG2 3.87Å; I38-E89 HydrophobicContact CD1-CB 4.5Å; I38-L92 HydrophobicContact CG2-CD1 4.28Å |
| 39 | F | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 177.6 | -163.6 | 176.3 | 0 | 0 | 0 | 111.4 | F5 L18 L20 I29 S35 Q36 R37 I41 L42 L43 F49 V51 T233 | F5-F39 AromaticContact CD2-CZ 3.88Å; F5-F39 HydrophobicContact CD2-CZ 3.88Å; F5-F39 HydrophobicContact CE2-CE1 4.36Å; F5-F39 AromaticContact CE2-CZ 3.72Å; F5-F39 HydrophobicContact CE2-CZ 3.72Å; F5-F39 HydrophobicContact CG-CZ 4.38Å; F5-F39 HydrophobicContact CZ-CZ 4.1Å; L18-F39 HydrophobicContact CD2-CB 3.88Å; L18-F39 HydrophobicContact CD2-CD2 4.48Å; L18-F39 HydrophobicContact CD2-CG 4.2Å; L20-F39 HydrophobicContact CD1-CD1 3.72Å; L20-F39 HydrophobicContact CD1-CE1 4.29Å; L20-F39 HydrophobicContact CD1-CG 4.4Å; I29-F39 HydrophobicContact CD1-CE1 3.91Å; S35-F39 WeakPolarHBondContact O-CB 3.28Å; S35-F39 PolarHBondContact O-N 3.06Å; Q36-F39 PolarHBondContact O-N 2.91Å; R37-F39 VanDerWaalsContact C-N 3.33Å; R37-F39 PolarHBondContact O-N 3.29Å; F39-I41 VanDerWaalsContact C-N 3.33Å; F39-I41 PolarHBondContact O-N 2.67Å; F39-L42 PolarHBondContact O-N 3.12Å; F39-L43 HydrophobicContact CD2-CD1 4.16Å; F39-L43 HydrophobicContact CD2-CG 4.01Å; F39-L43 HydrophobicContact CE2-CD1 4.01Å; F39-L43 HydrophobicContact CE2-CD2 4.09Å; F39-L43 HydrophobicContact CE2-CG 3.97Å; F39-L43 WeakPolarHBondContact O-CG 3.38Å; F39-L43 PolarHBondContact O-N 3.43Å; F39-L43 VanDerWaalsContact O-N 3.07Å; F39-F49 AromaticContact CD2-CE2 3.56Å; F39-F49 HydrophobicContact CD2-CE2 3.56Å; F39-F49 AromaticContact CD2-CZ 3.55Å; F39-F49 HydrophobicContact CD2-CZ 3.55Å; F39-F49 AromaticContact CE2-CE2 3.52Å; F39-F49 HydrophobicContact CE2-CE2 3.52Å; F39-F49 AromaticContact CE2-CZ 3.46Å; F39-F49 HydrophobicContact CE2-CZ 3.46Å; F39-F49 VanDerWaalsContact CE2-CZ 3.46Å; F39-V51 HydrophobicContact CD2-CG2 4.32Å; F39-V51 HydrophobicContact CE1-CG1 4.49Å; F39-V51 HydrophobicContact CE1-CG2 4.22Å; F39-V51 HydrophobicContact CE2-CG2 3.82Å; F39-V51 HydrophobicContact CZ-CG2 3.77Å; F39-T233 HydrophobicContact CB-CG2 4Å; F39-T233 HydrophobicContact CD1-CG2 3.66Å; F39-T233 HydrophobicContact CD2-CG2 3.81Å; F39-T233 HydrophobicContact CE1-CG2 4.02Å; F39-T233 HydrophobicContact CE2-CG2 4.14Å; F39-T233 HydrophobicContact CG-CG2 3.54Å; F39-T233 HydrophobicContact CZ-CG2 4.23Å |
| 40 | M | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.3 | -44.4 | 174.3 | -69.8 | 179.1 | 68.9 | 0 | 0 | 112 | Q36 R37 I38 L42 L43 L44 C189 L192 P193 E229 F230 T233 | Q36-M40 HydrophobicContact CG-CG 4.35Å; Q36-M40 HydrophobicContact CG-SD 4.31Å; Q36-M40 VanDerWaalsContact O-CG 3.29Å; Q36-M40 WeakPolarHBondContact O-CG 3.38Å; Q36-M40 PolarHBondContact O-N 3.1Å; R37-M40 PolarHBondContact O-N 3.27Å; I38-M40 PolarHBondContact O-N 3.05Å; M40-L42 PolarHBondContact O-N 3.35Å; M40-L43 PolarHBondContact O-N 3.27Å; M40-L44 WeakPolarHBondContact O-CB 3.23Å; M40-L44 WeakPolarHBondContact O-CG 3.38Å; M40-L44 PolarHBondContact O-N 2.85Å; M40-C189 HydrophobicContact CB-CB 4.27Å; M40-L192 HydrophobicContact CE-CB 4.48Å; M40-L192 HydrophobicContact CE-CD1 3.94Å; M40-P193 HydrophobicContact SD-CG 3.93Å; M40-E229 WeakPolarHBondContact CG-O 3.5Å; M40-F230 HydrophobicContact CE-CB 3.98Å; M40-F230 HydrophobicContact CE-CD2 3.86Å; M40-F230 HydrophobicContact CE-CG 4.37Å; M40-F230 HydrophobicContact SD-CD2 3.84Å; M40-T233 HydrophobicContact CG-CG2 4.31Å; M40-T233 WeakPolarHBondContact CG-OG1 3.42Å |
| 41 | I | 94.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 179.5 | -67.6 | 164.5 | 0 | 0 | 0 | 110.7 | R37 I38 F39 L43 L44 K45 E89 L92 L107 L186 C189 | R37-I41 HydrophobicContact CG-CD1 4.03Å; R37-I41 VanDerWaalsContact O-CG1 3.29Å; R37-I41 WeakPolarHBondContact O-CG1 3.42Å; R37-I41 PolarHBondContact O-N 3.17Å; R37-I41 VanDerWaalsContact O-N 3.12Å; I38-I41 HydrophobicContact CD1-CD1 4.17Å; I38-I41 PolarHBondContact O-N 3.18Å; F39-I41 VanDerWaalsContact C-N 3.33Å; F39-I41 PolarHBondContact O-N 2.67Å; I41-L43 PolarHBondContact O-N 2.85Å; I41-L44 PolarHBondContact O-N 3.16Å; I41-K45 HydrophobicContact CG2-CG 4.36Å; I41-K45 WeakPolarHBondContact O-CB 3.31Å; I41-K45 VanDerWaalsContact O-CG 3.29Å; I41-K45 WeakPolarHBondContact O-CG 3.43Å; I41-K45 PolarHBondContact O-N 3.5Å; I41-E89 HydrophobicContact CD1-CB 4.24Å; I41-E89 HydrophobicContact CD1-CG 3.94Å; I41-E89 VanDerWaalsContact CD1-OE2 3.31Å; I41-E89 WeakPolarHBondContact CD1-OE2 3.38Å; I41-L92 HydrophobicContact CG2-CB 4.35Å; I41-L92 HydrophobicContact CG2-CD1 3.89Å; I41-L107 HydrophobicContact CG2-CD1 4.18Å; I41-L186 HydrophobicContact CD1-CD2 3.8Å; I41-L186 HydrophobicContact CG1-CD2 3.75Å; I41-L186 HydrophobicContact CG2-CD2 4.24Å; I41-C189 HydrophobicContact CD1-CB 4.33Å; I41-C189 HydrophobicContact CG1-CB 3.86Å |
| 42 | L | 91.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.5 | -40.8 | 178.6 | -67.4 | 170.5 | 0 | 0 | 0 | 112.4 | L18 I38 F39 M40 K45 G46 V47 F49 M75 L92 | L18-L42 HydrophobicContact CB-CD1 4.03Å; L18-L42 HydrophobicContact CD2-CD1 3.73Å; L18-L42 HydrophobicContact CG-CD1 4.35Å; I38-L42 HydrophobicContact CG2-CD1 4.32Å; I38-L42 WeakPolarHBondContact O-CG 3.42Å; I38-L42 PolarHBondContact O-N 3.06Å; F39-L42 PolarHBondContact O-N 3.12Å; M40-L42 PolarHBondContact O-N 3.35Å; L42-K45 PolarHBondContact O-N 3.37Å; L42-G46 PolarHBondContact O-N 3.37Å; L42-V47 HydrophobicContact CB-CG2 4.09Å; L42-V47 HydrophobicContact CD2-CG2 3.57Å; L42-V47 HydrophobicContact CG-CG2 4.46Å; L42-F49 HydrophobicContact CB-CD1 3.77Å; L42-F49 HydrophobicContact CB-CD2 4.34Å; L42-F49 HydrophobicContact CB-CE1 3.44Å; L42-F49 VanDerWaalsContact CB-CE1 3.44Å; L42-F49 HydrophobicContact CB-CE2 4.01Å; L42-F49 HydrophobicContact CB-CG 4.21Å; L42-F49 HydrophobicContact CB-CZ 3.56Å; L42-F49 HydrophobicContact CD1-CB 4.47Å; L42-F49 HydrophobicContact CD1-CD1 4.27Å; L42-F49 HydrophobicContact CD1-CD2 3.56Å; L42-F49 HydrophobicContact CD1-CE1 4.43Å; L42-F49 HydrophobicContact CD1-CE2 3.71Å; L42-F49 HydrophobicContact CD1-CG 3.85Å; L42-F49 HydrophobicContact CD1-CZ 4.15Å; L42-F49 HydrophobicContact CG-CD1 4.49Å; L42-M75 HydrophobicContact CD1-CE 3.45Å; L42-M75 VanDerWaalsContact CD1-CE 3.45Å; L42-M75 HydrophobicContact CD2-CE 3.67Å; L42-M75 HydrophobicContact CG-CE 3.96Å; L42-L92 HydrophobicContact CD2-CD1 3.92Å; L42-L92 HydrophobicContact CD2-CD2 3.75Å; L42-L92 HydrophobicContact CG-CD1 4.32Å |
| 43 | L | 92.4 | Very high | 89.9 | Confident | 26 Ų | 26 | 20 Ų | 20 | 14% | 0.136 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 175.4 | -69.4 | -179 | 0 | 0 | 0 | 112.1 | F39 M40 I41 G46 F49 E229 T233 | F39-L43 HydrophobicContact CD2-CD1 4.16Å; F39-L43 HydrophobicContact CD2-CG 4.01Å; F39-L43 HydrophobicContact CE2-CD1 4.01Å; F39-L43 HydrophobicContact CE2-CD2 4.09Å; F39-L43 HydrophobicContact CE2-CG 3.97Å; F39-L43 WeakPolarHBondContact O-CG 3.38Å; F39-L43 PolarHBondContact O-N 3.43Å; F39-L43 VanDerWaalsContact O-N 3.07Å; M40-L43 PolarHBondContact O-N 3.27Å; I41-L43 PolarHBondContact O-N 2.85Å; L43-G46 PolarHBondContact O-N 3.06Å; L43-G46 VanDerWaalsContact O-N 3.1Å; L43-F49 HydrophobicContact CD2-CE1 3.98Å; L43-F49 HydrophobicContact CD2-CZ 3.78Å; L43-F49 HydrophobicContact CG-CZ 4.11Å; L43-E229 HydrophobicContact CB-CB 4.31Å; L43-E229 HydrophobicContact CB-CG 4.11Å; L43-T233 HydrophobicContact CD1-CG2 3.37Å; L43-T233 HydrophobicContact CG-CG2 4.46Å |
| 44 | L | 93.1 | Very high | 89.5 | Confident | 21 Ų | 21 | 19.6 Ų | 19.6 | 11% | 0.11 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.5 | -36.6 | 177.3 | -74.9 | 169 | 0 | 0 | 0 | 112.3 | M40 I41 G46 P105 L107 L184 C189 E229 | M40-L44 WeakPolarHBondContact O-CB 3.23Å; M40-L44 WeakPolarHBondContact O-CG 3.38Å; M40-L44 PolarHBondContact O-N 2.85Å; I41-L44 PolarHBondContact O-N 3.16Å; L44-G46 PolarHBondContact O-N 2.97Å; L44-P105 VanDerWaalsContact O-CG 3.22Å; L44-P105 WeakPolarHBondContact O-CG 3.24Å; L44-L107 HydrophobicContact CB-CD1 3.66Å; L44-L107 HydrophobicContact CB-CD2 3.99Å; L44-L107 HydrophobicContact CB-CG 4.5Å; L44-L107 HydrophobicContact CD1-CD1 4.31Å; L44-L107 HydrophobicContact CD1-CD2 4.5Å; L44-L184 HydrophobicContact CD1-CB 3.8Å; L44-L184 HydrophobicContact CD1-CD1 4.42Å; L44-L184 HydrophobicContact CD2-CB 3.89Å; L44-L184 HydrophobicContact CD2-CD1 3.99Å; L44-C189 WeakPolarHBondContact CD1-SG 3.37Å; L44-E229 HydrophobicContact CD2-CB 4.24Å; L44-E229 HydrophobicContact CD2-CG 3.82Å; L44-E229 HydrophobicContact CG-CB 4.28Å; L44-E229 HydrophobicContact CG-CG 4.13Å |
| 45 | K | 89.1 | Confident | 89 | Confident | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.009 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.2 | -25.8 | 171.9 | -73.9 | -69.1 | -174.6 | -179.6 | 0 | 111.4 | I41 L42 V47 E93 L96 T97 Y104 P105 L107 | I41-K45 HydrophobicContact CG2-CG 4.36Å; I41-K45 WeakPolarHBondContact O-CB 3.31Å; I41-K45 VanDerWaalsContact O-CG 3.29Å; I41-K45 WeakPolarHBondContact O-CG 3.43Å; I41-K45 PolarHBondContact O-N 3.5Å; L42-K45 PolarHBondContact O-N 3.37Å; K45-V47 HydrophobicContact CB-CG1 4.2Å; K45-V47 HydrophobicContact CB-CG2 4.33Å; K45-V47 PolarHBondContact O-N 3.37Å; K45-E93 WeakPolarHBondContact CE-OE2 3.42Å; K45-E93 IonicContact NZ-OE2 3.84Å; K45-E93 PolarHBondContact NZ-OE2 2.92Å; K45-L96 HydrophobicContact CB-CD1 4.37Å; K45-L96 HydrophobicContact CD-CB 4.07Å; K45-L96 HydrophobicContact CD-CD1 4.45Å; K45-L96 HydrophobicContact CG-CD1 4.17Å; K45-L96 PolarHBondContact NZ-O 2.78Å; K45-L96 VanDerWaalsContact NZ-O 3.13Å; K45-T97 PolarHBondContact NZ-OG1 3.46Å; K45-Y104 WeakPolarHBondContact O-CD1 3.38Å; K45-P105 WeakPolarHBondContact CD-O 3.44Å; K45-P105 WeakPolarHBondContact CE-O 3.08Å; K45-P105 PolarHBondContact NZ-O 3.23Å; K45-L107 HydrophobicContact CD-CD1 4.14Å; K45-L107 HydrophobicContact CD-CG 4.41Å; K45-L107 HydrophobicContact CG-CD1 3.98Å |
| 46 | G | 86.9 | Confident | 88.2 | Confident | 47 Ų | 47 | 19.6 Ų | 19.6 | 49% | 0.485 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 24.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L42 L43 L44 | L42-G46 PolarHBondContact O-N 3.37Å; L43-G46 PolarHBondContact O-N 3.06Å; L43-G46 VanDerWaalsContact O-N 3.1Å; L44-G46 PolarHBondContact O-N 2.97Å |
| 47 | V | 83.4 | Confident | 87.3 | Confident | 18 Ų | 18 | 28.5 Ų | 28.5 | 11% | 0.109 | 16% | 0.157 | C | C | . | . | trans | -76.1 | 154.8 | 172.3 | -68.9 | 0 | 0 | 0 | 0 | 110.4 | L42 K45 F49 L96 Y104 | L42-V47 HydrophobicContact CB-CG2 4.09Å; L42-V47 HydrophobicContact CD2-CG2 3.57Å; L42-V47 HydrophobicContact CG-CG2 4.46Å; K45-V47 HydrophobicContact CB-CG1 4.2Å; K45-V47 HydrophobicContact CB-CG2 4.33Å; K45-V47 PolarHBondContact O-N 3.37Å; V47-F49 HydrophobicContact CG2-CD1 4.07Å; V47-F49 VanDerWaalsContact O-CD1 3.32Å; V47-F49 WeakPolarHBondContact O-CD1 3.4Å; V47-L96 HydrophobicContact CG1-CD1 3.69Å; V47-L96 HydrophobicContact CG1-CD2 4.06Å; V47-L96 HydrophobicContact CG1-CG 4.45Å; V47-Y104 HydrophobicContact CG1-CD1 4.22Å; V47-Y104 HydrophobicContact CG1-CD2 4.24Å; V47-Y104 HydrophobicContact CG1-CE1 3.81Å; V47-Y104 HydrophobicContact CG1-CE2 3.85Å; V47-Y104 HydrophobicContact CG1-CG 4.41Å | ||
| 48 | I | 82.6 | Confident | 86.3 | Confident | 85 Ų | 85 | 37.2 Ų | 37.2 | 44% | 0.436 | 19% | 0.19 | S | C | . | . | trans | -86.1 | 127.5 | 170.4 | -58.9 | 177.1 | 0 | 0 | 0 | 107.5 | G9 | G9-I48 WeakPolarHBondContact O-CD1 3.37Š| ||
| 49 | F | 84.6 | Confident | 85 | Confident | 9 Ų | 9 | 40 Ų | 40 | 4% | 0.039 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 156.6 | 179 | 63.5 | -76.9 | 0 | 0 | 0 | 110.7 | G16 L18 F39 L42 L43 V47 V51 | G16-F49 CarbonylContact O-C 3.55Å; G16-F49 WeakPolarHBondContact O-CA 3.17Å; G16-F49 VanDerWaalsContact O-CB 3.28Å; G16-F49 WeakPolarHBondContact O-CB 3.25Å; L18-F49 HydrophobicContact CB-CD2 4.31Å; L18-F49 HydrophobicContact CD2-CE2 4.46Å; F39-F49 AromaticContact CD2-CE2 3.56Å; F39-F49 HydrophobicContact CD2-CE2 3.56Å; F39-F49 AromaticContact CD2-CZ 3.55Å; F39-F49 HydrophobicContact CD2-CZ 3.55Å; F39-F49 AromaticContact CE2-CE2 3.52Å; F39-F49 HydrophobicContact CE2-CE2 3.52Å; F39-F49 AromaticContact CE2-CZ 3.46Å; F39-F49 HydrophobicContact CE2-CZ 3.46Å; F39-F49 VanDerWaalsContact CE2-CZ 3.46Å; L42-F49 HydrophobicContact CB-CD1 3.77Å; L42-F49 HydrophobicContact CB-CD2 4.34Å; L42-F49 HydrophobicContact CB-CE1 3.44Å; L42-F49 VanDerWaalsContact CB-CE1 3.44Å; L42-F49 HydrophobicContact CB-CE2 4.01Å; L42-F49 HydrophobicContact CB-CG 4.21Å; L42-F49 HydrophobicContact CB-CZ 3.56Å; L42-F49 HydrophobicContact CD1-CB 4.47Å; L42-F49 HydrophobicContact CD1-CD1 4.27Å; L42-F49 HydrophobicContact CD1-CD2 3.56Å; L42-F49 HydrophobicContact CD1-CE1 4.43Å; L42-F49 HydrophobicContact CD1-CE2 3.71Å; L42-F49 HydrophobicContact CD1-CG 3.85Å; L42-F49 HydrophobicContact CD1-CZ 4.15Å; L42-F49 HydrophobicContact CG-CD1 4.49Å; L43-F49 HydrophobicContact CD2-CE1 3.98Å; L43-F49 HydrophobicContact CD2-CZ 3.78Å; L43-F49 HydrophobicContact CG-CZ 4.11Å; V47-F49 HydrophobicContact CG2-CD1 4.07Å; V47-F49 VanDerWaalsContact O-CD1 3.32Å; V47-F49 WeakPolarHBondContact O-CD1 3.4Å; F49-V51 HydrophobicContact CD2-CG2 3.75Å; F49-V51 HydrophobicContact CE2-CG2 3.41Å; F49-V51 VanDerWaalsContact CE2-CG2 3.41Å |
| 50 | T | 86.9 | Confident | 83.8 | Confident | 45 Ų | 45 | 42.7 Ų | 42.7 | 28% | 0.276 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.4 | 173.7 | -59.6 | 0 | 0 | 0 | 0 | 110 | G16 K17 L18 | G16-T50 PolarHBondContact O-N 2.87Å; K17-T50 WeakPolarHBondContact CA-O 3.45Å; L18-T50 PolarHBondContact N-O 2.89Å |
| 51 | V | 86.5 | Confident | 82.6 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.4 | 172.9 | -179 | 0 | 0 | 0 | 0 | 109.2 | F5 L18 L20 F39 F49 | F5-V51 HydrophobicContact CD2-CB 4.35Å; F5-V51 HydrophobicContact CD2-CG2 4.2Å; L18-V51 WeakPolarHBondContact O-CA 3.34Å; L20-V51 HydrophobicContact CD1-CG1 3.71Å; L20-V51 HydrophobicContact CG-CG1 4.01Å; F39-V51 HydrophobicContact CD2-CG2 4.32Å; F39-V51 HydrophobicContact CE1-CG1 4.49Å; F39-V51 HydrophobicContact CE1-CG2 4.22Å; F39-V51 HydrophobicContact CE2-CG2 3.82Å; F39-V51 HydrophobicContact CZ-CG2 3.77Å; F49-V51 HydrophobicContact CD2-CG2 3.75Å; F49-V51 HydrophobicContact CE2-CG2 3.41Å; F49-V51 VanDerWaalsContact CE2-CG2 3.41Å |
| 52 | T | 85.1 | Confident | 81.4 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 123.1 | 173.1 | -62.2 | 0 | 0 | 0 | 0 | 109.3 | K17 L18 E19 L20 | K17-T52 WeakPolarHBondContact CE-OG1 3.48Å; K17-T52 PolarHBondContact NZ-OG1 3.33Å; L18-T52 PolarHBondContact O-N 2.75Å; E19-T52 WeakPolarHBondContact CA-O 3.36Å; L20-T52 PolarHBondContact N-O 2.75Å |
| 53 | T | 84.2 | Confident | 80.2 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 10% | 0.098 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.1 | 170.7 | 50.5 | 0 | 0 | 0 | 0 | 109.6 | L20 E27 | L20-T53 CarbonylContact O-C 3.41Å; L20-T53 WeakPolarHBondContact O-CA 3.32Å; E27-T53 WeakPolarHBondContact O-CB 3.29Å; E27-T53 WeakPolarHBondContact O-CG2 3.47Å; E27-T53 PolarHBondContact O-OG1 2.9Å |
| 54 | V | 82.5 | Confident | 79 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.7 | -173.7 | -177.2 | 0 | 0 | 0 | 0 | 109 | E19 L20 A22 V56 L63 P72 | E19-V54 HydrophobicContact CB-CG2 3.98Å; E19-V54 HydrophobicContact CG-CG2 4.28Å; L20-V54 PolarHBondContact O-N 3.12Å; A22-V54 WeakPolarHBondContact CB-O 3.42Å; A22-V54 PolarHBondContact N-O 3.28Å; V54-V56 PolarHBondContact O-N 3.28Å; V54-V56 VanDerWaalsContact O-N 3.16Å; V54-L63 HydrophobicContact CB-CD1 4.3Å; V54-L63 HydrophobicContact CG1-CD1 3.8Å; V54-L63 HydrophobicContact CG2-CD1 3.55Å; V54-P72 HydrophobicContact CB-CG 4.04Å; V54-P72 HydrophobicContact CG1-CG 4.36Å; V54-P72 HydrophobicContact CG2-CG 4.47Å |
| 55 | D | 81.5 | Confident | 77.9 | Confident | 42 Ų | 42 | 60.9 Ų | 60.9 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | trans | -71.8 | 104.4 | 166.9 | -178.8 | -7.6 | 0 | 0 | 0 | 109 | K57 R58 K59 | D55-K57 PolarHBondContact O-N 2.85Å; D55-K57 WeakPolarHBondContact OD1-CA 3.43Å; D55-K57 VanDerWaalsContact OD1-CB 3.32Å; D55-K57 WeakPolarHBondContact OD1-CB 3.44Å; D55-K57 PolarHBondContact OD1-N 3.45Å; D55-R58 HydrophobicContact CB-CB 4.37Å; D55-R58 CarbonylContact O-C 3.45Å; D55-R58 PolarHBondContact O-N 2.98Å; D55-R58 PolarHBondContact OD1-N 3.45Å; D55-K59 PolarHBondContact O-N 3.16Å | ||
| 56 | V | 73.8 | Confident | 77 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.3 | -179.7 | -66.4 | 0 | 0 | 0 | 0 | 113.5 | E21 V54 P72 | E21-V56 HydrophobicContact CG-CG1 4.29Å; V54-V56 PolarHBondContact O-N 3.28Å; V54-V56 VanDerWaalsContact O-N 3.16Å; V56-P72 HydrophobicContact CG1-CG 4.33Å |
| 57 | K | 75.8 | Confident | 76.2 | Confident | 192 Ų | 192 | 62 Ų | 62 | 84% | 0.835 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -25.3 | 175.2 | -60.9 | 176.9 | -178 | 169.8 | 0 | 111.9 | D55 | D55-K57 PolarHBondContact O-N 2.85Å; D55-K57 WeakPolarHBondContact OD1-CA 3.43Å; D55-K57 VanDerWaalsContact OD1-CB 3.32Å; D55-K57 WeakPolarHBondContact OD1-CB 3.44Å; D55-K57 PolarHBondContact OD1-N 3.45Å |
| 58 | R | 73.4 | Confident | 75.6 | Confident | 202 Ų | 202 | 65.7 Ų | 65.7 | 76% | 0.762 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -129.5 | 58.8 | -178.1 | -61.7 | 179.7 | 176.4 | 176.4 | 0.7 | 110 | D55 P60 | D55-R58 HydrophobicContact CB-CB 4.37Å; D55-R58 CarbonylContact O-C 3.45Å; D55-R58 PolarHBondContact O-N 2.98Å; D55-R58 PolarHBondContact OD1-N 3.45Å; R58-P60 WeakPolarHBondContact O-CD 3.28Å |
| 59 | K | 67.3 | Low | 75 | Confident | 58 Ų | 58 | 65.1 Ų | 65.1 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | trans | -59.9 | 121.9 | 179.9 | -69.7 | -169.6 | -178 | -175 | 0 | 109.6 | D55 I70 N71 | D55-K59 PolarHBondContact O-N 3.16Å; K59-I70 PolarHBondContact NZ-O 2.8Å; K59-N71 PolarHBondContact NZ-OD1 3.16Å | ||
| 60 | P | 68.9 | Low | 74.6 | Confident | 57 Ų | 57 | 67.1 Ų | 67.1 | 37% | 0.37 | 37% | 0.368 | S | S | . | . | trans | -68.3 | 145.2 | 175.3 | 29.7 | -35 | 0 | 0 | 0 | 110.1 | R58 N62 L63 Q64 | R58-P60 WeakPolarHBondContact O-CD 3.28Å; P60-N62 VanDerWaalsContact C-N 3.29Å; P60-N62 VanDerWaalsContact CB-OD1 3.31Å; P60-N62 WeakPolarHBondContact CB-OD1 3.35Å; P60-N62 PolarHBondContact O-N 3.45Å; P60-L63 HydrophobicContact CG-CB 4.22Å; P60-L63 HydrophobicContact CG-CD1 3.61Å; P60-L63 HydrophobicContact CG-CG 3.89Å; P60-L63 PolarHBondContact O-N 3.1Å; P60-Q64 PolarHBondContact O-N 2.75Å | ||
| 61 | A | 69.9 | Low | 73.9 | Confident | 69 Ų | 69 | 70.1 Ų | 70.1 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -56.4 | -39.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L63 Q64 D65 | A61-L63 VanDerWaalsContact C-N 3.29Å; A61-L63 PolarHBondContact O-N 3.41Å; A61-Q64 WeakPolarHBondContact O-CA 3.49Å; A61-Q64 VanDerWaalsContact O-CB 3.3Å; A61-Q64 WeakPolarHBondContact O-CB 3.37Å; A61-Q64 PolarHBondContact O-N 3.02Å; A61-D65 PolarHBondContact O-N 3.29Å; A61-D65 VanDerWaalsContact O-N 3.12Å |
| 62 | N | 69.1 | Low | 73.5 | Confident | 100 Ų | 100 | 70.7 Ų | 70.7 | 54% | 0.535 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.7 | -34.4 | 177.3 | 64.4 | -42.2 | 0 | 0 | 0 | 113.6 | P60 L66 | P60-N62 VanDerWaalsContact C-N 3.29Å; P60-N62 VanDerWaalsContact CB-OD1 3.31Å; P60-N62 WeakPolarHBondContact CB-OD1 3.35Å; P60-N62 PolarHBondContact O-N 3.45Å; N62-L66 WeakPolarHBondContact O-CB 3.39Å; N62-L66 PolarHBondContact O-N 3.27Å |
| 63 | L | 67.3 | Low | 73.3 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 6% | 0.063 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -76.6 | -27.9 | 175.5 | -69.9 | -178.3 | 0 | 0 | 0 | 112.1 | E19 V54 P60 A61 D65 L66 A67 F74 | E19-L63 HydrophobicContact CG-CD2 4.25Å; V54-L63 HydrophobicContact CB-CD1 4.3Å; V54-L63 HydrophobicContact CG1-CD1 3.8Å; V54-L63 HydrophobicContact CG2-CD1 3.55Å; P60-L63 HydrophobicContact CG-CB 4.22Å; P60-L63 HydrophobicContact CG-CD1 3.61Å; P60-L63 HydrophobicContact CG-CG 3.89Å; P60-L63 PolarHBondContact O-N 3.1Å; A61-L63 VanDerWaalsContact C-N 3.29Å; A61-L63 PolarHBondContact O-N 3.41Å; L63-D65 VanDerWaalsContact C-N 3.32Å; L63-L66 HydrophobicContact CD2-CD2 4.25Å; L63-L66 PolarHBondContact O-N 3.28Å; L63-A67 PolarHBondContact O-N 3.17Å; L63-F74 HydrophobicContact CD2-CE2 4.4Å; L63-F74 HydrophobicContact CD2-CZ 4.21Å |
| 64 | Q | 67.6 | Low | 73.3 | Confident | 112 Ų | 112 | 70 Ų | 70 | 52% | 0.523 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.6 | -35.5 | 176.4 | -149.1 | 171.5 | 47.6 | 0 | 0 | 111.2 | P60 A61 P68 | P60-Q64 PolarHBondContact O-N 2.75Å; A61-Q64 WeakPolarHBondContact O-CA 3.49Å; A61-Q64 VanDerWaalsContact O-CB 3.3Å; A61-Q64 WeakPolarHBondContact O-CB 3.37Å; A61-Q64 PolarHBondContact O-N 3.02Å; Q64-P68 WeakPolarHBondContact O-CA 3.38Å; Q64-P68 WeakPolarHBondContact O-CB 3.32Å |
| 65 | D | 70.4 | Confident | 73.4 | Confident | 138 Ų | 138 | 69.7 Ų | 69.7 | 74% | 0.738 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -73.9 | -38.3 | 174 | -63.8 | -29.6 | 0 | 0 | 0 | 112.2 | A61 L63 | A61-D65 PolarHBondContact O-N 3.29Å; A61-D65 VanDerWaalsContact O-N 3.12Å; L63-D65 VanDerWaalsContact C-N 3.32Å |
| 66 | L | 70.3 | Confident | 73.5 | Confident | 70 Ų | 70 | 68.7 Ų | 68.7 | 37% | 0.366 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | -179.1 | -172.8 | 65.2 | 0 | 0 | 0 | 112.5 | N62 L63 V81 | N62-L66 WeakPolarHBondContact O-CB 3.39Å; N62-L66 PolarHBondContact O-N 3.27Å; L63-L66 HydrophobicContact CD2-CD2 4.25Å; L63-L66 PolarHBondContact O-N 3.28Å; L66-V81 HydrophobicContact CD1-CG2 3.48Å; L66-V81 VanDerWaalsContact CD1-CG2 3.48Å; L66-V81 HydrophobicContact CD2-CG2 4.43Å; L66-V81 HydrophobicContact CG-CG2 3.62Å |
| 67 | A | 69.1 | Low | 73.9 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 3% | 0.033 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -142.2 | 70 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L63 G69 I70 F74 V81 | L63-A67 PolarHBondContact O-N 3.17Å; A67-G69 PolarHBondContact O-N 3.3Å; A67-I70 HydrophobicContact CB-CB 3.99Å; A67-I70 HydrophobicContact CB-CD1 4.17Å; A67-I70 HydrophobicContact CB-CG1 4.28Å; A67-I70 PolarHBondContact O-N 3.23Å; A67-I70 VanDerWaalsContact O-N 3.16Å; A67-F74 HydrophobicContact CB-CD2 4.34Å; A67-F74 HydrophobicContact CB-CE1 4.43Å; A67-F74 HydrophobicContact CB-CE2 4.09Å; A67-F74 HydrophobicContact CB-CZ 4.15Å; A67-V81 HydrophobicContact CB-CG1 4.21Å |
| 68 | P | 70.5 | Confident | 74 | Confident | 95 Ų | 95 | 61.1 Ų | 61.1 | 62% | 0.617 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 120.7 | -172.5 | 22.2 | -31.9 | 0 | 0 | 0 | 112 | Q64 I70 | Q64-P68 WeakPolarHBondContact O-CA 3.38Å; Q64-P68 WeakPolarHBondContact O-CB 3.32Å; P68-I70 PolarHBondContact O-N 2.99Å |
| 69 | G | 71.4 | Confident | 74.2 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 75% | 0.753 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A67 | A67-G69 PolarHBondContact O-N 3.3Š|
| 70 | I | 75.4 | Confident | 74.9 | Confident | 50 Ų | 50 | 57.1 Ų | 57.1 | 26% | 0.256 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 137 | -177.5 | -52.5 | -170.4 | 0 | 0 | 0 | 109.4 | K59 A67 P68 F74 V83 | K59-I70 PolarHBondContact NZ-O 2.8Å; A67-I70 HydrophobicContact CB-CB 3.99Å; A67-I70 HydrophobicContact CB-CD1 4.17Å; A67-I70 HydrophobicContact CB-CG1 4.28Å; A67-I70 PolarHBondContact O-N 3.23Å; A67-I70 VanDerWaalsContact O-N 3.16Å; P68-I70 PolarHBondContact O-N 2.99Å; I70-F74 HydrophobicContact CG2-CD1 4.28Å; I70-V83 HydrophobicContact CD1-CB 4.09Å; I70-V83 HydrophobicContact CD1-CG1 3.5Å; I70-V83 HydrophobicContact CD1-CG2 4.32Å; I70-V83 HydrophobicContact CG2-CB 3.89Å; I70-V83 HydrophobicContact CG2-CG1 3.89Å |
| 71 | N | 72.3 | Confident | 75.7 | Confident | 109 Ų | 109 | 56.6 Ų | 56.6 | 58% | 0.583 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -99.4 | 144.3 | 174.9 | -69.1 | -24.8 | 0 | 0 | 0 | 109.6 | K59 | K59-N71 PolarHBondContact NZ-OD1 3.16Š|
| 72 | P | 77.7 | Confident | 76.5 | Confident | 14 Ų | 14 | 55.5 Ų | 55.5 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -55.8 | 155.7 | 173.3 | -24.2 | 33.5 | 0 | 0 | 0 | 113.2 | E21 V54 V56 F74 | E21-P72 HydrophobicContact CB-CB 4.24Å; V54-P72 HydrophobicContact CB-CG 4.04Å; V54-P72 HydrophobicContact CG1-CG 4.36Å; V54-P72 HydrophobicContact CG2-CG 4.47Å; V56-P72 HydrophobicContact CG1-CG 4.33Å; P72-F74 HydrophobicContact CG-CD1 4.48Å; P72-F74 HydrophobicContact CG-CE1 4.16Å |
| 73 | P | 81.7 | Confident | 77.1 | Confident | 12 Ų | 12 | 54 Ų | 54 | 8% | 0.078 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | cis | -78.7 | 140.2 | -1 | 31.1 | -34.2 | 0 | 0 | 0 | 113.2 | E19 L20 F34 S35 V85 | E19-P73 WeakPolarHBondContact O-CA 3.22Å; L20-P73 HydrophobicContact CD2-CB 4.4Å; F34-P73 HydrophobicContact CB-CG 4.02Å; S35-P73 WeakPolarHBondContact OG-CB 3.47Å; P73-V85 HydrophobicContact CG-CG2 3.68Å |
| 74 | F | 83.8 | Confident | 78 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 165.7 | 162.4 | 59.4 | -91.5 | 0 | 0 | 0 | 108.9 | E19 L63 A67 I70 P72 V81 K82 V83 | E19-F74 HydrophobicContact CB-CD1 4.28Å; E19-F74 HydrophobicContact CB-CD2 3.88Å; E19-F74 HydrophobicContact CB-CE1 3.97Å; E19-F74 HydrophobicContact CB-CE2 3.56Å; E19-F74 HydrophobicContact CB-CG 4.24Å; E19-F74 HydrophobicContact CB-CZ 3.59Å; E19-F74 HydrophobicContact CG-CD2 4.08Å; E19-F74 HydrophobicContact CG-CE2 3.43Å; E19-F74 VanDerWaalsContact CG-CE2 3.43Å; E19-F74 HydrophobicContact CG-CZ 3.71Å; E19-F74 PolarHBondContact N-O 3.02Å; E19-F74 PolarHBondContact O-N 3.08Å; E19-F74 WeakPolarHBondContact OE2-CD2 3.33Å; L63-F74 HydrophobicContact CD2-CE2 4.4Å; L63-F74 HydrophobicContact CD2-CZ 4.21Å; A67-F74 HydrophobicContact CB-CD2 4.34Å; A67-F74 HydrophobicContact CB-CE1 4.43Å; A67-F74 HydrophobicContact CB-CE2 4.09Å; A67-F74 HydrophobicContact CB-CZ 4.15Å; I70-F74 HydrophobicContact CG2-CD1 4.28Å; P72-F74 HydrophobicContact CG-CD1 4.48Å; P72-F74 HydrophobicContact CG-CE1 4.16Å; F74-V81 HydrophobicContact CD2-CG1 4.14Å; F74-K82 CarbonylContact C-O 3.56Å; F74-K82 VanDerWaalsContact CA-O 3.26Å; F74-K82 WeakPolarHBondContact CA-O 3.17Å; F74-K82 VanDerWaalsContact CB-O 3.24Å; F74-K82 WeakPolarHBondContact CB-O 3.43Å; F74-V83 HydrophobicContact CB-CB 4.48Å; F74-V83 HydrophobicContact CB-CG1 4.06Å |
| 75 | M | 85.1 | Confident | 79 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 142.6 | -178 | 165.8 | 177.3 | -79 | 0 | 0 | 109.5 | K17 L18 I38 L42 F77 V81 K82 I88 L92 | K17-M75 CarbonylContact O-C 3.57Å; K17-M75 WeakPolarHBondContact O-CA 3.18Å; K17-M75 WeakPolarHBondContact O-CG 3.16Å; L18-M75 HydrophobicContact CD1-CE 4.39Å; I38-M75 HydrophobicContact CG2-CE 4.03Å; L42-M75 HydrophobicContact CD1-CE 3.45Å; L42-M75 VanDerWaalsContact CD1-CE 3.45Å; L42-M75 HydrophobicContact CD2-CE 3.67Å; L42-M75 HydrophobicContact CG-CE 3.96Å; M75-F77 HydrophobicContact CG-CB 4.42Å; M75-F77 HydrophobicContact SD-CB 4.48Å; M75-V81 CarbonylContact O-C 3.53Å; M75-V81 WeakPolarHBondContact O-CA 3.3Å; M75-K82 PolarHBondContact N-O 3.3Å; M75-K82 PolarHBondContact O-N 3.21Å; M75-I88 HydrophobicContact CB-CD1 4.36Å; M75-I88 HydrophobicContact CB-CG1 4.49Å; M75-I88 HydrophobicContact CB-CG2 4.45Å; M75-I88 HydrophobicContact CE-CG2 4.34Å; M75-I88 HydrophobicContact SD-CG2 3.95Å; M75-L92 HydrophobicContact CE-CD1 4.17Å; M75-L92 HydrophobicContact CE-CD2 4.21Å; M75-L92 HydrophobicContact SD-CD1 4.46Å; M75-L92 HydrophobicContact SD-CD2 3.96Å; M75-L92 HydrophobicContact SD-CG 4.41Å |
| 76 | T | 83.9 | Confident | 79.9 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 12% | 0.123 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126.6 | 164 | -49 | 0 | 0 | 0 | 0 | 109.3 | K17 E80 | K17-T76 PolarHBondContact N-O 2.71Å; K17-T76 PolarHBondContact O-N 3.21Å; T76-E80 WeakPolarHBondContact CA-O 3.49Å |
| 77 | F | 81.3 | Confident | 80.9 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 2% | 0.022 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 125.8 | 176.3 | -164.8 | -78.2 | 0 | 0 | 0 | 108.8 | D14 M75 G79 E80 F91 K95 L96 | D14-F77 HydrophobicContact CB-CE1 4.4Å; D14-F77 HydrophobicContact CB-CZ 3.81Å; M75-F77 HydrophobicContact CG-CB 4.42Å; M75-F77 HydrophobicContact SD-CB 4.48Å; F77-G79 PolarHBondContact O-N 3.01Å; F77-G79 VanDerWaalsContact O-N 3.16Å; F77-E80 PolarHBondContact N-O 3.12Å; F77-E80 WeakPolarHBondContact O-CB 3.4Å; F77-E80 PolarHBondContact O-N 3.47Å; F77-F91 HydrophobicContact CB-CE1 3.87Å; F77-F91 HydrophobicContact CB-CZ 4.24Å; F77-F91 AromaticContact CD1-CE1 3.78Å; F77-F91 HydrophobicContact CD1-CE1 3.78Å; F77-F91 AromaticContact CD1-CZ 3.63Å; F77-F91 HydrophobicContact CD1-CZ 3.63Å; F77-F91 HydrophobicContact CD2-CE1 4.17Å; F77-F91 HydrophobicContact CE1-CE1 4.37Å; F77-F91 HydrophobicContact CE1-CZ 4.18Å; F77-F91 AromaticContact CG-CE1 3.66Å; F77-F91 HydrophobicContact CG-CE1 3.66Å; F77-F91 AromaticContact CG-CZ 3.99Å; F77-F91 HydrophobicContact CG-CZ 3.99Å; F77-K95 HydrophobicContact CE1-CG 4.42Å; F77-L96 HydrophobicContact CZ-CD2 4.31Å |
| 78 | D | 78.1 | Confident | 81.9 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 42% | 0.422 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 32.9 | -173.5 | -58.8 | -21.8 | 0 | 0 | 0 | 113.6 | E80 K95 | D78-E80 VanDerWaalsContact C-N 3.28Å; D78-E80 PolarHBondContact O-N 3.19Å; D78-K95 IonicContact OD2-NZ 2.92Å; D78-K95 PolarHBondContact OD2-NZ 2.96Å |
| 79 | G | 77.6 | Confident | 82.9 | Confident | 64 Ų | 64 | 49.2 Ų | 49.2 | 66% | 0.66 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F77 | F77-G79 PolarHBondContact O-N 3.01Å; F77-G79 VanDerWaalsContact O-N 3.16Å |
| 80 | E | 82.1 | Confident | 83.9 | Confident | 113 Ų | 113 | 51.3 Ų | 51.3 | 53% | 0.528 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.8 | 174.6 | -64.9 | -172.7 | 171.8 | 0 | 0 | 112.1 | T76 F77 D78 K82 | T76-E80 WeakPolarHBondContact CA-O 3.49Å; F77-E80 PolarHBondContact N-O 3.12Å; F77-E80 WeakPolarHBondContact O-CB 3.4Å; F77-E80 PolarHBondContact O-N 3.47Å; D78-E80 VanDerWaalsContact C-N 3.28Å; D78-E80 PolarHBondContact O-N 3.19Å; E80-K82 WeakPolarHBondContact OE2-CE 3.22Å; E80-K82 IonicContact OE2-NZ 3.49Å; E80-K82 PolarHBondContact OE2-NZ 3.2Å |
| 81 | V | 85.6 | Confident | 84.5 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.4 | 176.2 | -171.6 | 0 | 0 | 0 | 0 | 110.7 | L66 A67 F74 M75 V83 | L66-V81 HydrophobicContact CD1-CG2 3.48Å; L66-V81 VanDerWaalsContact CD1-CG2 3.48Å; L66-V81 HydrophobicContact CD2-CG2 4.43Å; L66-V81 HydrophobicContact CG-CG2 3.62Å; A67-V81 HydrophobicContact CB-CG1 4.21Å; F74-V81 HydrophobicContact CD2-CG1 4.14Å; M75-V81 CarbonylContact O-C 3.53Å; M75-V81 WeakPolarHBondContact O-CA 3.3Å; V81-V83 HydrophobicContact CG1-CG1 3.69Å |
| 82 | K | 85.9 | Confident | 85.3 | Confident | 45 Ų | 45 | 45.3 Ų | 45.3 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.8 | 178.1 | -53.8 | -68.5 | 157.7 | 116.4 | 0 | 108.8 | F74 M75 E80 I88 | F74-K82 CarbonylContact C-O 3.56Å; F74-K82 VanDerWaalsContact CA-O 3.26Å; F74-K82 WeakPolarHBondContact CA-O 3.17Å; F74-K82 VanDerWaalsContact CB-O 3.24Å; F74-K82 WeakPolarHBondContact CB-O 3.43Å; M75-K82 PolarHBondContact N-O 3.3Å; M75-K82 PolarHBondContact O-N 3.21Å; E80-K82 WeakPolarHBondContact OE2-CE 3.22Å; E80-K82 IonicContact OE2-NZ 3.49Å; E80-K82 PolarHBondContact OE2-NZ 3.2Å; K82-I88 HydrophobicContact CB-CD1 4.38Å; K82-I88 HydrophobicContact CB-CG1 3.57Å |
| 83 | V | 81.3 | Confident | 85.9 | Confident | 70 Ų | 70 | 45.8 Ų | 45.8 | 42% | 0.424 | 25% | 0.246 | S | C | . | . | trans | -130.7 | -0.2 | -160.1 | -55.3 | 0 | 0 | 0 | 0 | 114.4 | I70 F74 V81 | I70-V83 HydrophobicContact CD1-CB 4.09Å; I70-V83 HydrophobicContact CD1-CG1 3.5Å; I70-V83 HydrophobicContact CD1-CG2 4.32Å; I70-V83 HydrophobicContact CG2-CB 3.89Å; I70-V83 HydrophobicContact CG2-CG1 3.89Å; F74-V83 HydrophobicContact CB-CB 4.48Å; F74-V83 HydrophobicContact CB-CG1 4.06Å; V81-V83 HydrophobicContact CG1-CG1 3.69Å | ||
| 84 | D | 86.7 | Confident | 86.1 | Confident | 65 Ų | 65 | 53 Ų | 53 | 35% | 0.348 | 28% | 0.279 | S | S | . | . | trans | -117.1 | 127.1 | 175.3 | 177.9 | -73.8 | 0 | 0 | 0 | 108.8 | N86 K87 I88 | D84-N86 VanDerWaalsContact C-N 3.31Å; D84-N86 PolarHBondContact O-N 2.97Å; D84-N86 WeakPolarHBondContact OD1-CA 3.47Å; D84-N86 WeakPolarHBondContact OD1-CB 3.03Å; D84-N86 PolarHBondContact OD1-N 3.21Å; D84-K87 HydrophobicContact CB-CB 3.99Å; D84-K87 HydrophobicContact CB-CD 3.96Å; D84-K87 HydrophobicContact CB-CG 3.91Å; D84-K87 PolarHBondContact O-N 3.41Å; D84-K87 PolarHBondContact OD1-N 3.41Å; D84-I88 WeakPolarHBondContact O-CB 3.39Å; D84-I88 WeakPolarHBondContact O-CD1 3.3Å; D84-I88 WeakPolarHBondContact O-CG1 3.21Å; D84-I88 PolarHBondContact O-N 3.14Å | ||
| 85 | V | 88.4 | Confident | 86 | Confident | 20 Ų | 20 | 57.5 Ų | 57.5 | 12% | 0.121 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.3 | -40.1 | -173.3 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | F34 I38 P73 E89 | F34-V85 HydrophobicContact CB-CG1 4.3Å; F34-V85 HydrophobicContact CB-CG2 3.73Å; F34-V85 HydrophobicContact CD1-CG1 4.49Å; F34-V85 HydrophobicContact CG-CG2 4.34Å; I38-V85 HydrophobicContact CD1-CG1 3.88Å; I38-V85 HydrophobicContact CG1-CG1 4.15Å; P73-V85 HydrophobicContact CG-CG2 3.68Å; V85-E89 WeakPolarHBondContact O-CB 3.46Å; V85-E89 PolarHBondContact O-N 3.47Å |
| 86 | N | 90.6 | Very high | 85.8 | Confident | 81 Ų | 81 | 57.8 Ų | 57.8 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -73.1 | -40.8 | -179.8 | -60.2 | -42.9 | 0 | 0 | 0 | 110.1 | R37 D84 I88 E89 E90 | R37-N86 PolarHBondContact NH1-OD1 3.38Å; D84-N86 VanDerWaalsContact C-N 3.31Å; D84-N86 PolarHBondContact O-N 2.97Å; D84-N86 WeakPolarHBondContact OD1-CA 3.47Å; D84-N86 WeakPolarHBondContact OD1-CB 3.03Å; D84-N86 PolarHBondContact OD1-N 3.21Å; N86-I88 VanDerWaalsContact C-N 3.33Å; N86-I88 PolarHBondContact O-N 3.4Å; N86-E89 PolarHBondContact O-N 2.93Å; N86-E90 WeakPolarHBondContact O-CG 3.33Å; N86-E90 PolarHBondContact O-N 2.9Å |
| 87 | K | 89.6 | Confident | 85.1 | Confident | 138 Ų | 138 | 58.9 Ų | 58.9 | 60% | 0.6 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.9 | -35.6 | 174.5 | -63.3 | -174.7 | -178.4 | 178.7 | 0 | 112.9 | D84 F91 | D84-K87 HydrophobicContact CB-CB 3.99Å; D84-K87 HydrophobicContact CB-CD 3.96Å; D84-K87 HydrophobicContact CB-CG 3.91Å; D84-K87 PolarHBondContact O-N 3.41Å; D84-K87 PolarHBondContact OD1-N 3.41Å; K87-F91 WeakPolarHBondContact O-CB 3.42Å; K87-F91 PolarHBondContact O-N 3Å |
| 88 | I | 90.4 | Very high | 84 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 173.5 | -68.8 | 159 | 0 | 0 | 0 | 109.3 | I38 M75 K82 D84 N86 F91 L92 | I38-I88 HydrophobicContact CD1-CB 4.18Å; I38-I88 HydrophobicContact CD1-CG2 3.87Å; I38-I88 HydrophobicContact CG1-CG2 4.25Å; I38-I88 HydrophobicContact CG2-CG2 3.87Å; M75-I88 HydrophobicContact CB-CD1 4.36Å; M75-I88 HydrophobicContact CB-CG1 4.49Å; M75-I88 HydrophobicContact CB-CG2 4.45Å; M75-I88 HydrophobicContact CE-CG2 4.34Å; M75-I88 HydrophobicContact SD-CG2 3.95Å; K82-I88 HydrophobicContact CB-CD1 4.38Å; K82-I88 HydrophobicContact CB-CG1 3.57Å; D84-I88 WeakPolarHBondContact O-CB 3.39Å; D84-I88 WeakPolarHBondContact O-CD1 3.3Å; D84-I88 WeakPolarHBondContact O-CG1 3.21Å; D84-I88 PolarHBondContact O-N 3.14Å; N86-I88 VanDerWaalsContact C-N 3.33Å; N86-I88 PolarHBondContact O-N 3.4Å; I88-F91 PolarHBondContact O-N 3.43Å; I88-L92 HydrophobicContact CG2-CD1 3.8Å; I88-L92 HydrophobicContact CG2-CG 4.22Å; I88-L92 WeakPolarHBondContact O-CB 3.44Å; I88-L92 VanDerWaalsContact O-CG 3.24Å; I88-L92 WeakPolarHBondContact O-CG 3.45Å; I88-L92 PolarHBondContact O-N 2.99Å |
| 89 | E | 92.7 | Very high | 82.9 | Confident | 26 Ų | 26 | 65.5 Ų | 65.5 | 12% | 0.121 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 177.1 | 176.5 | 173.9 | 109.3 | 0 | 0 | 112.2 | R37 I38 I41 V85 N86 F91 L92 E93 L186 | R37-E89 IonicContact CZ-OE1 3.02Å; R37-E89 IonicContact CZ-OE2 3.72Å; R37-E89 IonicContact NE-OE2 2.67Å; R37-E89 PolarHBondContact NE-OE2 3.42Å; R37-E89 IonicContact NH2-OE1 3.7Å; R37-E89 PolarHBondContact NH2-OE1 2.73Å; R37-E89 IonicContact NH2-OE2 3.21Å; R37-E89 PolarHBondContact NH2-OE2 3.09Å; I38-E89 HydrophobicContact CD1-CB 4.5Å; I41-E89 HydrophobicContact CD1-CB 4.24Å; I41-E89 HydrophobicContact CD1-CG 3.94Å; I41-E89 VanDerWaalsContact CD1-OE2 3.31Å; I41-E89 WeakPolarHBondContact CD1-OE2 3.38Å; V85-E89 WeakPolarHBondContact O-CB 3.46Å; V85-E89 PolarHBondContact O-N 3.47Å; N86-E89 PolarHBondContact O-N 2.93Å; E89-F91 VanDerWaalsContact C-N 3.32Å; E89-F91 PolarHBondContact O-N 2.93Å; E89-L92 PolarHBondContact O-N 2.89Å; E89-E93 WeakPolarHBondContact O-CB 3.42Å; E89-E93 PolarHBondContact O-N 3.42Å; E89-L186 HydrophobicContact CG-CD1 3.94Å; E89-L186 HydrophobicContact CG-CD2 3.94Å; E89-L186 HydrophobicContact CG-CG 4.43Å |
| 90 | E | 91.2 | Very high | 81.8 | Confident | 116 Ų | 116 | 72.5 Ų | 72.5 | 54% | 0.542 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.2 | -47.2 | 175.8 | -73.6 | 168.5 | -172 | 0 | 0 | 110.8 | N86 L92 E93 E94 | N86-E90 WeakPolarHBondContact O-CG 3.33Å; N86-E90 PolarHBondContact O-N 2.9Å; E90-L92 PolarHBondContact O-N 2.97Å; E90-E93 PolarHBondContact O-N 2.95Å; E90-E94 WeakPolarHBondContact O-CB 3.36Å; E90-E94 WeakPolarHBondContact O-CG 3.01Å; E90-E94 PolarHBondContact O-N 3.29Å |
| 91 | F | 89.5 | Confident | 80.2 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 15% | 0.145 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 177.2 | 172.3 | -97.9 | 0 | 0 | 0 | 112.4 | F77 K87 I88 E89 E94 K95 | F77-F91 HydrophobicContact CB-CE1 3.87Å; F77-F91 HydrophobicContact CB-CZ 4.24Å; F77-F91 AromaticContact CD1-CE1 3.78Å; F77-F91 HydrophobicContact CD1-CE1 3.78Å; F77-F91 AromaticContact CD1-CZ 3.63Å; F77-F91 HydrophobicContact CD1-CZ 3.63Å; F77-F91 HydrophobicContact CD2-CE1 4.17Å; F77-F91 HydrophobicContact CE1-CE1 4.37Å; F77-F91 HydrophobicContact CE1-CZ 4.18Å; F77-F91 AromaticContact CG-CE1 3.66Å; F77-F91 HydrophobicContact CG-CE1 3.66Å; F77-F91 AromaticContact CG-CZ 3.99Å; F77-F91 HydrophobicContact CG-CZ 3.99Å; K87-F91 WeakPolarHBondContact O-CB 3.42Å; K87-F91 PolarHBondContact O-N 3Å; I88-F91 PolarHBondContact O-N 3.43Å; E89-F91 VanDerWaalsContact C-N 3.32Å; E89-F91 PolarHBondContact O-N 2.93Å; F91-E94 PolarHBondContact O-N 3.39Å; F91-K95 HydrophobicContact CE1-CB 4.47Å; F91-K95 HydrophobicContact CE2-CB 4.24Å; F91-K95 HydrophobicContact CE2-CD 3.99Å; F91-K95 HydrophobicContact CE2-CG 4.28Å; F91-K95 HydrophobicContact CZ-CB 4.22Å; F91-K95 HydrophobicContact CZ-CD 4.05Å; F91-K95 HydrophobicContact CZ-CG 4.03Å; F91-K95 WeakPolarHBondContact O-CB 3.41Å; F91-K95 PolarHBondContact O-N 3.41Å |
| 92 | L | 88.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 178.7 | -70 | 172.4 | 0 | 0 | 0 | 111.1 | I38 I41 L42 M75 I88 E89 E90 L96 | I38-L92 HydrophobicContact CG2-CD1 4.28Å; I41-L92 HydrophobicContact CG2-CB 4.35Å; I41-L92 HydrophobicContact CG2-CD1 3.89Å; L42-L92 HydrophobicContact CD2-CD1 3.92Å; L42-L92 HydrophobicContact CD2-CD2 3.75Å; L42-L92 HydrophobicContact CG-CD1 4.32Å; M75-L92 HydrophobicContact CE-CD1 4.17Å; M75-L92 HydrophobicContact CE-CD2 4.21Å; M75-L92 HydrophobicContact SD-CD1 4.46Å; M75-L92 HydrophobicContact SD-CD2 3.96Å; M75-L92 HydrophobicContact SD-CG 4.41Å; I88-L92 HydrophobicContact CG2-CD1 3.8Å; I88-L92 HydrophobicContact CG2-CG 4.22Å; I88-L92 WeakPolarHBondContact O-CB 3.44Å; I88-L92 VanDerWaalsContact O-CG 3.24Å; I88-L92 WeakPolarHBondContact O-CG 3.45Å; I88-L92 PolarHBondContact O-N 2.99Å; E89-L92 PolarHBondContact O-N 2.89Å; E90-L92 PolarHBondContact O-N 2.97Å; L92-L96 HydrophobicContact CB-CD1 4.31Å; L92-L96 HydrophobicContact CD2-CD1 3.68Å; L92-L96 WeakPolarHBondContact O-CA 3.37Å; L92-L96 WeakPolarHBondContact O-CB 3.36Å; L92-L96 WeakPolarHBondContact O-CG 3.28Å; L92-L96 PolarHBondContact O-N 3.1Å |
| 93 | E | 89.8 | Confident | 77.6 | Confident | 25 Ų | 25 | 91.2 Ų | 91.2 | 12% | 0.117 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -71.4 | -36.5 | 178 | -170 | 67.5 | 176.4 | 0 | 0 | 111.9 | K45 E89 E90 T97 R106 L107 A108 L186 | K45-E93 WeakPolarHBondContact CE-OE2 3.42Å; K45-E93 IonicContact NZ-OE2 3.84Å; K45-E93 PolarHBondContact NZ-OE2 2.92Å; E89-E93 WeakPolarHBondContact O-CB 3.42Å; E89-E93 PolarHBondContact O-N 3.42Å; E90-E93 PolarHBondContact O-N 2.95Å; E93-T97 WeakPolarHBondContact O-CB 3.49Å; E93-T97 PolarHBondContact O-OG1 2.88Å; E93-R106 WeakPolarHBondContact OE1-CG 3.41Å; E93-L107 PolarHBondContact OE1-N 3.31Å; E93-L107 PolarHBondContact OE2-N 2.87Å; E93-A108 HydrophobicContact CG-CB 4.34Å; E93-A108 WeakPolarHBondContact OE1-CB 3.24Å; E93-A108 PolarHBondContact OE1-N 2.9Å; E93-L186 HydrophobicContact CB-CD1 4.35Å; E93-L186 HydrophobicContact CG-CD1 4.2Å |
| 94 | E | 86.8 | Confident | 77.4 | Confident | 163 Ų | 163 | 91 Ų | 91 | 76% | 0.762 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -74.4 | -47.1 | 176.4 | -75.9 | -174.6 | 159.8 | 0 | 0 | 112.7 | E90 F91 | E90-E94 WeakPolarHBondContact O-CB 3.36Å; E90-E94 WeakPolarHBondContact O-CG 3.01Å; E90-E94 PolarHBondContact O-N 3.29Å; F91-E94 PolarHBondContact O-N 3.39Å |
| 95 | K | 82.1 | Confident | 77.5 | Confident | 99 Ų | 99 | 90.9 Ų | 90.9 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.7 | -35.7 | -174.9 | -169.5 | 90.1 | 176.3 | -152.3 | 0 | 111.6 | F77 D78 F91 | F77-K95 HydrophobicContact CE1-CG 4.42Å; D78-K95 IonicContact OD2-NZ 2.92Å; D78-K95 PolarHBondContact OD2-NZ 2.96Å; F91-K95 HydrophobicContact CE1-CB 4.47Å; F91-K95 HydrophobicContact CE2-CB 4.24Å; F91-K95 HydrophobicContact CE2-CD 3.99Å; F91-K95 HydrophobicContact CE2-CG 4.28Å; F91-K95 HydrophobicContact CZ-CB 4.22Å; F91-K95 HydrophobicContact CZ-CD 4.05Å; F91-K95 HydrophobicContact CZ-CG 4.03Å; F91-K95 WeakPolarHBondContact O-CB 3.41Å; F91-K95 PolarHBondContact O-N 3.41Å |
| 96 | L | 79 | Confident | 77.6 | Confident | 6 Ų | 6 | 98.5 Ų | 98.5 | 3% | 0.031 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 38.1 | -174.8 | -48 | 171.3 | 0 | 0 | 0 | 112.5 | K45 V47 F77 L92 Y104 | K45-L96 HydrophobicContact CB-CD1 4.37Å; K45-L96 HydrophobicContact CD-CB 4.07Å; K45-L96 HydrophobicContact CD-CD1 4.45Å; K45-L96 HydrophobicContact CG-CD1 4.17Å; K45-L96 PolarHBondContact NZ-O 2.78Å; K45-L96 VanDerWaalsContact NZ-O 3.13Å; V47-L96 HydrophobicContact CG1-CD1 3.69Å; V47-L96 HydrophobicContact CG1-CD2 4.06Å; V47-L96 HydrophobicContact CG1-CG 4.45Å; F77-L96 HydrophobicContact CZ-CD2 4.31Å; L92-L96 HydrophobicContact CB-CD1 4.31Å; L92-L96 HydrophobicContact CD2-CD1 3.68Å; L92-L96 WeakPolarHBondContact O-CA 3.37Å; L92-L96 WeakPolarHBondContact O-CB 3.36Å; L92-L96 WeakPolarHBondContact O-CG 3.28Å; L92-L96 PolarHBondContact O-N 3.1Å; L96-Y104 HydrophobicContact CB-CD2 3.94Å; L96-Y104 HydrophobicContact CD2-CD2 4.08Å; L96-Y104 HydrophobicContact CD2-CE2 4.03Å; L96-Y104 WeakPolarHBondContact O-CB 3.44Å |
| 97 | T | 69 | Low | 77.8 | Confident | 43 Ų | 43 | 95 Ų | 95 | 26% | 0.264 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -131.7 | 150.9 | 175.9 | -62 | 0 | 0 | 0 | 0 | 110.3 | K45 E93 | K45-T97 PolarHBondContact NZ-OG1 3.46Å; E93-T97 WeakPolarHBondContact O-CB 3.49Å; E93-T97 PolarHBondContact O-OG1 2.88Å |
| 98 | P | 59.9 | Low | 78 | Confident | 90 Ų | 90 | 89.8 Ų | 89.8 | 58% | 0.584 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -55.8 | 150 | -174.1 | -27.5 | 36.7 | 0 | 0 | 0 | 114.4 | ||
| 99 | P | 55.3 | Low | 78.2 | Confident | 132 Ų | 132 | 90.5 Ų | 90.5 | 86% | 0.857 | 42% | 0.417 | S | S | * | . | S | Bend | -107.5 | 15.5 | 50.3 | 37.3 | -36.1 | 0 | 0 | 0 | 116.4 | K101 | P99-K101 VanDerWaalsContact C-N 3.32Å; P99-K101 PolarHBondContact O-N 3.09Å | |
| 100 | R | 54.5 | Low | 78.2 | Confident | 212 Ų | 212 | 97.1 Ų | 97.1 | 80% | 0.8 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -71 | 86.9 | 174.3 | -78.1 | -172.5 | 156.1 | 92.2 | -0.8 | 111.3 | Y102 | R100-Y102 VanDerWaalsContact C-N 3.29Å; R100-Y102 CarbonylContact O-C 3.4Å; R100-Y102 PolarHBondContact O-N 3.24Å |
| 101 | K | 48.6 | Very low | 78.4 | Confident | 189 Ų | 189 | 92.3 Ų | 92.3 | 82% | 0.822 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 29.3 | 44 | 145.7 | -152.6 | -176.5 | 179.8 | -177.1 | 0 | 117.9 | P99 | P99-K101 VanDerWaalsContact C-N 3.32Å; P99-K101 PolarHBondContact O-N 3.09Å |
| 102 | Y | 49.9 | Very low | 78.6 | Confident | 217 Ų | 217 | 95.3 Ų | 95.3 | 85% | 0.851 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 78.5 | 124.3 | -170.6 | -49.9 | -80 | 0 | 0 | 0 | 114.9 | R100 | R100-Y102 VanDerWaalsContact C-N 3.29Å; R100-Y102 CarbonylContact O-C 3.4Å; R100-Y102 PolarHBondContact O-N 3.24Å |
| 103 | R | 66.7 | Low | 78.8 | Confident | 190 Ų | 190 | 99.3 Ų | 99.3 | 72% | 0.717 | 46% | 0.464 | S | S | * | . | -177.8 | -24.3 | 120.2 | -105.7 | -180 | 175.8 | -173.9 | 0.1 | 117.5 | |||||
| 104 | Y | 77.4 | Confident | 79.1 | Confident | 65 Ų | 65 | 98.1 Ų | 98.1 | 26% | 0.255 | 46% | 0.459 | S | S | . | . | trans | -123 | 138.8 | -170.3 | -50.5 | -50 | 0 | 0 | 0 | 113.9 | K45 V47 L96 | K45-Y104 WeakPolarHBondContact O-CD1 3.38Å; V47-Y104 HydrophobicContact CG1-CD1 4.22Å; V47-Y104 HydrophobicContact CG1-CD2 4.24Å; V47-Y104 HydrophobicContact CG1-CE1 3.81Å; V47-Y104 HydrophobicContact CG1-CE2 3.85Å; V47-Y104 HydrophobicContact CG1-CG 4.41Å; L96-Y104 HydrophobicContact CB-CD2 3.94Å; L96-Y104 HydrophobicContact CD2-CD2 4.08Å; L96-Y104 HydrophobicContact CD2-CE2 4.03Å; L96-Y104 WeakPolarHBondContact O-CB 3.44Å | ||
| 105 | P | 87.6 | Confident | 79.5 | Confident | 63 Ų | 63 | 94 Ų | 94 | 41% | 0.409 | 44% | 0.442 | S | S | . | . | trans | -70.2 | 145.5 | -178.5 | 28.7 | -34.6 | 0 | 0 | 0 | 111.7 | L44 K45 L107 | L44-P105 VanDerWaalsContact O-CG 3.22Å; L44-P105 WeakPolarHBondContact O-CG 3.24Å; K45-P105 WeakPolarHBondContact CD-O 3.44Å; K45-P105 WeakPolarHBondContact CE-O 3.08Å; K45-P105 PolarHBondContact NZ-O 3.23Å; P105-L107 HydrophobicContact CB-CD2 4.37Å; P105-L107 HydrophobicContact CG-CD2 4.14Å | ||
| 106 | R | 90.1 | Very high | 80.1 | Confident | 180 Ų | 180 | 93.3 Ų | 93.3 | 68% | 0.679 | 45% | 0.447 | S | S | * | . | trans | -71.4 | 128.7 | 164.6 | -176.9 | -176.3 | 169.8 | 159.2 | -1.4 | 108.2 | E93 A108 | E93-R106 WeakPolarHBondContact OE1-CG 3.41Å; R106-A108 HydrophobicContact CG-CB 4.42Å | ||
| 107 | L | 94.4 | Very high | 80.9 | Confident | 8 Ų | 8 | 93.7 Ų | 93.7 | 4% | 0.042 | 45% | 0.451 | C | S | . | . | trans | -109.3 | -13.4 | -177.9 | -60.6 | -179.1 | 0 | 0 | 0 | 112.5 | I41 L44 K45 E93 P105 T185 L186 | I41-L107 HydrophobicContact CG2-CD1 4.18Å; L44-L107 HydrophobicContact CB-CD1 3.66Å; L44-L107 HydrophobicContact CB-CD2 3.99Å; L44-L107 HydrophobicContact CB-CG 4.5Å; L44-L107 HydrophobicContact CD1-CD1 4.31Å; L44-L107 HydrophobicContact CD1-CD2 4.5Å; K45-L107 HydrophobicContact CD-CD1 4.14Å; K45-L107 HydrophobicContact CD-CG 4.41Å; K45-L107 HydrophobicContact CG-CD1 3.98Å; E93-L107 PolarHBondContact OE1-N 3.31Å; E93-L107 PolarHBondContact OE2-N 2.87Å; P105-L107 HydrophobicContact CB-CD2 4.37Å; P105-L107 HydrophobicContact CG-CD2 4.14Å; L107-T185 CarbonylContact O-C 3.56Å; L107-T185 VanDerWaalsContact O-CA 3.3Å; L107-T185 WeakPolarHBondContact O-CA 3.44Å; L107-T185 VanDerWaalsContact O-CB 3.24Å; L107-T185 WeakPolarHBondContact O-CB 3.45Å; L107-L186 HydrophobicContact CB-CD2 3.74Å; L107-L186 HydrophobicContact CB-CG 3.78Å; L107-L186 HydrophobicContact CD1-CD2 4.28Å; L107-L186 PolarHBondContact O-N 2.8Å | ||
| 108 | A | 94.4 | Very high | 82.2 | Confident | 28 Ų | 28 | 92.2 Ų | 92.2 | 23% | 0.231 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -59.1 | 128 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | E93 R106 L186 | E93-A108 HydrophobicContact CG-CB 4.34Å; E93-A108 WeakPolarHBondContact OE1-CB 3.24Å; E93-A108 PolarHBondContact OE1-N 2.9Å; R106-A108 HydrophobicContact CG-CB 4.42Å; A108-L186 HydrophobicContact CB-CD1 4.26Å |
| 109 | P | 94.6 | Very high | 83.8 | Confident | 16 Ų | 16 | 93.7 Ų | 93.7 | 10% | 0.104 | 45% | 0.446 | C | S | . | . | trans | -64.7 | 151.3 | -179.1 | 27.5 | -34.1 | 0 | 0 | 0 | 111.2 | A114 N115 D180 T185 A187 | P109-A114 HydrophobicContact CB-CB 4.11Å; P109-N115 WeakPolarHBondContact CG-ND2 3.41Å; P109-N115 WeakPolarHBondContact CG-OD1 3.42Å; P109-D180 WeakPolarHBondContact CA-OD2 3.29Å; P109-D180 HydrophobicContact CB-CB 3.88Å; P109-D180 WeakPolarHBondContact CB-OD2 3.45Å; P109-T185 HydrophobicContact CB-CG2 4.39Å; P109-A187 HydrophobicContact CG-CB 4.36Å | ||
| 110 | K | 94.1 | Very high | 85.8 | Confident | 164 Ų | 164 | 89.6 Ų | 89.6 | 71% | 0.713 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -76 | -40.1 | 175.1 | -61.6 | 178.2 | -175.8 | 174.7 | 0 | 110.9 | D180 | K110-D180 PolarHBondContact N-OD1 2.74Å; K110-D180 PolarHBondContact N-OD2 3.34Å |
| 111 | H | 94.9 | Very high | 87.8 | Confident | 15 Ų | 15 | 79.7 Ų | 79.7 | 7% | 0.069 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -93.4 | 117.8 | -178 | -60.8 | 88.4 | 0 | 0 | 0 | 111 | E113 A114 S160 E161 D180 | H111-E113 HydrophobicContact CB-CG 4.07Å; H111-E113 IonicContact CD2-OE1 3.41Å; H111-E113 PolarHBondContact CD2-OE1 2.93Å; H111-E113 IonicContact CG-OE1 2.83Å; H111-E113 PolarHBondContact O-N 3.48Å; H111-A114 VanDerWaalsContact O-CB 3.32Å; H111-A114 WeakPolarHBondContact O-CB 3.43Å; H111-A114 PolarHBondContact O-N 3Å; H111-A114 VanDerWaalsContact O-N 3.11Å; H111-S160 PolarHBondContact NE2-OG 3.16Å; H111-E161 IonicContact CE1-OE1 3.11Å; H111-E161 PolarHBondContact CE1-OE1 3.24Å; H111-E161 IonicContact CE1-OE2 2.91Å; H111-E161 PolarHBondContact CE1-OE2 3.12Å; H111-E161 IonicContact NE2-OE1 3.42Å; H111-E161 PolarHBondContact NE2-OE1 3.37Å; H111-E161 IonicContact NE2-OE2 2.93Å; H111-E161 PolarHBondContact NE2-OE2 2.87Å; H111-D180 WeakPolarHBondContact CB-OD1 3.42Å; H111-D180 IonicContact CE1-OD1 3.76Å; H111-D180 IonicContact CG-OD1 3.92Å; H111-D180 VanDerWaalsContact CG-OD1 3.29Å; H111-D180 PolarHBondContact N-OD1 2.95Å; H111-D180 IonicContact ND1-OD1 3.29Å; H111-D180 PolarHBondContact ND1-OD1 2.88Å |
| 112 | P | 92.8 | Very high | 90.1 | Very high | 96 Ų | 96 | 72.4 Ų | 72.4 | 62% | 0.623 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -57.1 | -33 | 178.1 | -26 | 35.5 | 0 | 0 | 0 | 113.5 | A114 N115 | P112-A114 PolarHBondContact O-N 2.92Å; P112-N115 WeakPolarHBondContact O-CB 3.41Å; P112-N115 PolarHBondContact O-N 3.15Å; P112-N115 VanDerWaalsContact O-N 3.14Å |
| 113 | E | 94.1 | Very high | 92.3 | Very high | 84 Ų | 84 | 65.2 Ų | 65.2 | 39% | 0.393 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60 | -31.5 | 178.5 | 56.5 | -87.9 | -155.7 | 0 | 0 | 112.9 | H111 N115 T116 A117 F154 | H111-E113 HydrophobicContact CB-CG 4.07Å; H111-E113 IonicContact CD2-OE1 3.41Å; H111-E113 PolarHBondContact CD2-OE1 2.93Å; H111-E113 IonicContact CG-OE1 2.83Å; H111-E113 PolarHBondContact O-N 3.48Å; E113-N115 VanDerWaalsContact C-N 3.26Å; E113-N115 PolarHBondContact O-N 3.27Å; E113-T116 PolarHBondContact O-N 3.3Å; E113-T116 PolarHBondContact O-OG1 3.28Å; E113-A117 PolarHBondContact O-N 2.99Å; E113-F154 HydrophobicContact CB-CE2 4.04Å; E113-F154 HydrophobicContact CG-CE2 3.65Å; E113-F154 HydrophobicContact CG-CZ 4.16Å |
| 114 | A | 95.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.6 | -35.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P109 H111 P112 T116 F154 L179 D180 A187 | P109-A114 HydrophobicContact CB-CB 4.11Å; H111-A114 VanDerWaalsContact O-CB 3.32Å; H111-A114 WeakPolarHBondContact O-CB 3.43Å; H111-A114 PolarHBondContact O-N 3Å; H111-A114 VanDerWaalsContact O-N 3.11Å; P112-A114 PolarHBondContact O-N 2.92Å; A114-T116 PolarHBondContact O-N 3.37Å; A114-F154 HydrophobicContact CB-CZ 4.44Å; A114-L179 HydrophobicContact CB-CB 4.19Å; A114-D180 HydrophobicContact CB-CB 4Å; A114-A187 HydrophobicContact CB-CB 4.31Å; A114-A187 WeakPolarHBondContact O-CB 3.46Å |
| 115 | N | 93.8 | Very high | 94.7 | Very high | 76 Ų | 76 | 57 Ų | 57 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.7 | -23.4 | 177.9 | -68.4 | -54.4 | 0 | 0 | 0 | 113.3 | P109 P112 E113 | P109-N115 WeakPolarHBondContact CG-ND2 3.41Å; P109-N115 WeakPolarHBondContact CG-OD1 3.42Å; P112-N115 WeakPolarHBondContact O-CB 3.41Å; P112-N115 PolarHBondContact O-N 3.15Å; P112-N115 VanDerWaalsContact O-N 3.14Å; E113-N115 VanDerWaalsContact C-N 3.26Å; E113-N115 PolarHBondContact O-N 3.27Å |
| 116 | T | 95 | Very high | 95 | Very high | 85 Ų | 85 | 55 Ų | 55 | 52% | 0.521 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -104.3 | -13.3 | -176.4 | 64 | 0 | 0 | 0 | 0 | 113.2 | E113 A114 G118 I119 | E113-T116 PolarHBondContact O-N 3.3Å; E113-T116 PolarHBondContact O-OG1 3.28Å; A114-T116 PolarHBondContact O-N 3.37Å; T116-G118 PolarHBondContact O-N 3.36Å; T116-I119 WeakPolarHBondContact O-CB 3.48Å; T116-I119 WeakPolarHBondContact O-CG2 3.49Å; T116-I119 PolarHBondContact O-N 2.88Å |
| 117 | A | 96.5 | Very high | 95.2 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 12% | 0.116 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 120.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E113 I119 L151 F154 L179 | E113-A117 PolarHBondContact O-N 2.99Å; A117-I119 VanDerWaalsContact C-N 3.27Å; A117-I119 PolarHBondContact O-N 2.83Å; A117-L151 HydrophobicContact CB-CD1 4.16Å; A117-F154 HydrophobicContact CB-CD1 3.59Å; A117-F154 HydrophobicContact CB-CD2 4.48Å; A117-F154 HydrophobicContact CB-CE1 3.63Å; A117-F154 HydrophobicContact CB-CG 4.04Å; A117-F154 HydrophobicContact CB-CZ 4.11Å; A117-L179 HydrophobicContact CB-CD2 3.95Å |
| 118 | G | 95.7 | Very high | 95.2 | Very high | 12 Ų | 12 | 48.2 Ų | 48.2 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 12.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | T116 D120 I121 | T116-G118 PolarHBondContact O-N 3.36Å; G118-D120 PolarHBondContact O-N 2.85Å; G118-D120 VanDerWaalsContact O-N 3.15Å; G118-I121 VanDerWaalsContact CA-CD1 3.43Å; G118-I121 WeakPolarHBondContact O-CB 3.41Å; G118-I121 WeakPolarHBondContact O-CG1 3.22Å; G118-I121 PolarHBondContact O-N 3.36Å; G118-I121 VanDerWaalsContact O-N 3.11Å |
| 119 | I | 94.8 | Very high | 95.1 | Very high | 121 Ų | 121 | 46.9 Ų | 46.9 | 62% | 0.621 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -31.4 | -175.1 | -165 | 169.3 | 0 | 0 | 0 | 114 | T116 A117 | T116-I119 WeakPolarHBondContact O-CB 3.48Å; T116-I119 WeakPolarHBondContact O-CG2 3.49Å; T116-I119 PolarHBondContact O-N 2.88Å; A117-I119 VanDerWaalsContact C-N 3.27Å; A117-I119 PolarHBondContact O-N 2.83Å |
| 120 | D | 96.3 | Very high | 95 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -11.8 | -178 | 72.3 | -30.2 | 0 | 0 | 0 | 113.8 | G118 F122 A123 K124 S147 | G118-D120 PolarHBondContact O-N 2.85Å; G118-D120 VanDerWaalsContact O-N 3.15Å; D120-F122 VanDerWaalsContact C-N 3.34Å; D120-F122 PolarHBondContact O-N 3.28Å; D120-A123 PolarHBondContact O-N 2.87Å; D120-A123 VanDerWaalsContact O-N 3.14Å; D120-K124 WeakPolarHBondContact O-CG 3.4Å; D120-K124 PolarHBondContact O-N 3.16Å; D120-S147 PolarHBondContact OD1-OG 2.93Å; D120-S147 PolarHBondContact OD2-OG 3.2Å |
| 121 | I | 97.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.9 | -47.9 | -173.7 | -69.5 | 172 | 0 | 0 | 0 | 111.2 | G118 A123 K124 F125 L144 L148 L151 L195 L198 | G118-I121 VanDerWaalsContact CA-CD1 3.43Å; G118-I121 WeakPolarHBondContact O-CB 3.41Å; G118-I121 WeakPolarHBondContact O-CG1 3.22Å; G118-I121 PolarHBondContact O-N 3.36Å; G118-I121 VanDerWaalsContact O-N 3.11Å; I121-A123 VanDerWaalsContact C-N 3.31Å; I121-A123 PolarHBondContact O-N 2.8Å; I121-K124 PolarHBondContact O-N 3.15Å; I121-F125 WeakPolarHBondContact O-CB 3.42Å; I121-F125 PolarHBondContact O-N 3.38Å; I121-L144 HydrophobicContact CG2-CD1 4.28Å; I121-L148 HydrophobicContact CD1-CD2 4.2Å; I121-L148 HydrophobicContact CG2-CD2 4.22Å; I121-L151 HydrophobicContact CD1-CB 3.88Å; I121-L151 HydrophobicContact CD1-CD2 3.62Å; I121-L151 HydrophobicContact CD1-CG 4.35Å; I121-L195 HydrophobicContact CD1-CD2 4.28Å; I121-L195 HydrophobicContact CG2-CD2 4.04Å; I121-L198 HydrophobicContact CG2-CD1 3.4Å; I121-L198 VanDerWaalsContact CG2-CD1 3.4Å |
| 122 | F | 95.7 | Very high | 94.2 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.7 | -31.2 | -176 | -162.7 | -106.9 | 0 | 0 | 0 | 112.9 | P33 D120 F125 S126 K194 I197 | P33-F122 HydrophobicContact CG-CZ 4.29Å; D120-F122 VanDerWaalsContact C-N 3.34Å; D120-F122 PolarHBondContact O-N 3.28Å; F122-F125 AromaticContact CD2-CD1 3.78Å; F122-F125 HydrophobicContact CD2-CD1 3.78Å; F122-F125 HydrophobicContact CD2-CE1 4.29Å; F122-F125 AromaticContact CE2-CD1 3.76Å; F122-F125 HydrophobicContact CE2-CD1 3.76Å; F122-F125 AromaticContact CE2-CE1 3.79Å; F122-F125 HydrophobicContact CE2-CE1 3.79Å; F122-F125 HydrophobicContact CG-CD1 4.48Å; F122-F125 HydrophobicContact CZ-CD1 4.43Å; F122-F125 HydrophobicContact CZ-CE1 4.3Å; F122-S126 VanDerWaalsContact O-CB 3.28Å; F122-S126 WeakPolarHBondContact O-CB 3.47Å; F122-S126 PolarHBondContact O-N 3.25Å; F122-S126 PolarHBondContact O-OG 3.42Å; F122-K194 HydrophobicContact CB-CB 4.16Å; F122-K194 HydrophobicContact CB-CD 3.92Å; F122-K194 HydrophobicContact CB-CG 4.21Å; F122-K194 HydrophobicContact CD1-CG 4.45Å; F122-K194 HydrophobicContact CD2-CB 3.54Å; F122-K194 HydrophobicContact CD2-CD 4.44Å; F122-K194 HydrophobicContact CD2-CG 3.81Å; F122-K194 HydrophobicContact CE2-CB 4.15Å; F122-K194 HydrophobicContact CE2-CG 4.25Å; F122-K194 HydrophobicContact CG-CB 4Å; F122-K194 HydrophobicContact CG-CD 4.07Å; F122-K194 HydrophobicContact CG-CG 3.9Å; F122-I197 HydrophobicContact CE2-CB 4.34Å; F122-I197 HydrophobicContact CE2-CG2 4.14Å |
| 123 | A | 96.6 | Very high | 93.9 | Very high | 66 Ų | 66 | 49.6 Ų | 49.6 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.4 | -42.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D120 I121 S126 A127 | D120-A123 PolarHBondContact O-N 2.87Å; D120-A123 VanDerWaalsContact O-N 3.14Å; I121-A123 VanDerWaalsContact C-N 3.31Å; I121-A123 PolarHBondContact O-N 2.8Å; A123-S126 PolarHBondContact O-N 3.44Å; A123-A127 PolarHBondContact O-N 2.92Å |
| 124 | K | 97.2 | Very high | 93.4 | Very high | 81 Ų | 81 | 53.6 Ų | 53.6 | 35% | 0.352 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 174.3 | -60.7 | -59.7 | -179.7 | 172.2 | 0 | 111.9 | D120 I121 A127 Y128 A143 L144 | D120-K124 WeakPolarHBondContact O-CG 3.4Å; D120-K124 PolarHBondContact O-N 3.16Å; I121-K124 PolarHBondContact O-N 3.15Å; K124-A127 PolarHBondContact O-N 3.2Å; K124-Y128 WeakPolarHBondContact O-CB 3.5Å; K124-Y128 PolarHBondContact O-N 2.96Å; K124-A143 HydrophobicContact CD-CB 4.39Å; K124-L144 HydrophobicContact CB-CB 4.42Å; K124-L144 HydrophobicContact CB-CD1 4.04Å |
| 125 | F | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 173.6 | 158 | -106.9 | 0 | 0 | 0 | 111.1 | I121 F122 A127 Y128 I129 L144 I197 L198 V201 V202 Y244 | I121-F125 WeakPolarHBondContact O-CB 3.42Å; I121-F125 PolarHBondContact O-N 3.38Å; F122-F125 AromaticContact CD2-CD1 3.78Å; F122-F125 HydrophobicContact CD2-CD1 3.78Å; F122-F125 HydrophobicContact CD2-CE1 4.29Å; F122-F125 AromaticContact CE2-CD1 3.76Å; F122-F125 HydrophobicContact CE2-CD1 3.76Å; F122-F125 AromaticContact CE2-CE1 3.79Å; F122-F125 HydrophobicContact CE2-CE1 3.79Å; F122-F125 HydrophobicContact CG-CD1 4.48Å; F122-F125 HydrophobicContact CZ-CD1 4.43Å; F122-F125 HydrophobicContact CZ-CE1 4.3Å; F125-A127 VanDerWaalsContact C-N 3.31Å; F125-A127 PolarHBondContact O-N 2.94Å; F125-Y128 PolarHBondContact O-N 3.16Å; F125-Y128 VanDerWaalsContact O-N 3.15Å; F125-I129 HydrophobicContact CD2-CB 4.45Å; F125-I129 HydrophobicContact CE1-CG2 4.44Å; F125-I129 HydrophobicContact CE2-CB 3.99Å; F125-I129 HydrophobicContact CE2-CG1 4.39Å; F125-I129 HydrophobicContact CE2-CG2 4.11Å; F125-I129 HydrophobicContact CZ-CB 4.38Å; F125-I129 HydrophobicContact CZ-CG2 4.06Å; F125-I129 WeakPolarHBondContact O-CG2 3.19Å; F125-I129 PolarHBondContact O-N 2.91Å; F125-L144 HydrophobicContact CB-CD1 3.96Å; F125-L144 HydrophobicContact CB-CD2 4.47Å; F125-I197 HydrophobicContact CE1-CG2 4.07Å; F125-I197 HydrophobicContact CZ-CG2 4.2Å; F125-L198 HydrophobicContact CB-CD1 3.96Å; F125-L198 HydrophobicContact CB-CG 4.27Å; F125-L198 HydrophobicContact CD2-CB 4.2Å; F125-L198 HydrophobicContact CD2-CG 3.96Å; F125-L198 HydrophobicContact CG-CB 4.22Å; F125-L198 HydrophobicContact CG-CD1 4.36Å; F125-L198 HydrophobicContact CG-CG 4.15Å; F125-V201 HydrophobicContact CE2-CB 4.01Å; F125-V201 HydrophobicContact CE2-CG1 3.93Å; F125-V201 HydrophobicContact CZ-CB 3.82Å; F125-V201 HydrophobicContact CZ-CG1 3.77Å; F125-V201 HydrophobicContact CZ-CG2 4.32Å; F125-V202 HydrophobicContact CD2-CG1 3.57Å; F125-V202 HydrophobicContact CE2-CG1 3.58Å; F125-Y244 AromaticContact CE1-CE1 3.84Å; F125-Y244 HydrophobicContact CE1-CE1 3.84Å; F125-Y244 AromaticContact CE1-CZ 4Å; F125-Y244 HydrophobicContact CZ-CD1 4.33Å; F125-Y244 AromaticContact CZ-CE1 3.81Å; F125-Y244 HydrophobicContact CZ-CE1 3.81Å |
| 126 | S | 94.3 | Very high | 92.8 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.7 | -44.6 | 177.9 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | F122 A123 K130 | F122-S126 VanDerWaalsContact O-CB 3.28Å; F122-S126 WeakPolarHBondContact O-CB 3.47Å; F122-S126 PolarHBondContact O-N 3.25Å; F122-S126 PolarHBondContact O-OG 3.42Å; A123-S126 PolarHBondContact O-N 3.44Å; S126-K130 WeakPolarHBondContact O-CB 3.22Å; S126-K130 VanDerWaalsContact O-CD 3.32Å; S126-K130 WeakPolarHBondContact O-CD 3.34Å; S126-K130 WeakPolarHBondContact O-CG 3.4Å; S126-K130 PolarHBondContact O-N 3.35Å |
| 127 | A | 94.3 | Very high | 92.5 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A123 K124 F125 N131 L140 | A123-A127 PolarHBondContact O-N 2.92Å; K124-A127 PolarHBondContact O-N 3.2Å; F125-A127 VanDerWaalsContact C-N 3.31Å; F125-A127 PolarHBondContact O-N 2.94Å; A127-N131 WeakPolarHBondContact O-CB 3.26Å; A127-N131 PolarHBondContact O-N 2.92Å; A127-L140 HydrophobicContact CB-CD2 4.06Å |
| 128 | Y | 94.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.9 | -50.5 | 179.3 | 176.6 | -114.8 | 0 | 0 | 0 | 112.7 | K124 F125 K130 N131 H137 L140 E141 L144 V202 R206 L208 | K124-Y128 WeakPolarHBondContact O-CB 3.5Å; K124-Y128 PolarHBondContact O-N 2.96Å; F125-Y128 PolarHBondContact O-N 3.16Å; F125-Y128 VanDerWaalsContact O-N 3.15Å; Y128-K130 PolarHBondContact O-N 2.9Å; Y128-N131 WeakPolarHBondContact O-CB 3.47Å; Y128-N131 PolarHBondContact O-N 3.5Å; Y128-H137 AromaticContact CE2-CD2 3.93Å; Y128-H137 AromaticContact CE2-CE1 3.61Å; Y128-H137 AromaticContact CE2-NE2 3.44Å; Y128-H137 WeakPolarHBondContact CE2-NE2 3.23Å; Y128-H137 AromaticContact CZ-CE1 3.89Å; Y128-H137 AromaticContact CZ-NE2 3.7Å; Y128-H137 PolarHBondContact OH-CE1 3.22Å; Y128-H137 PolarHBondContact OH-NE2 3.28Å; Y128-L140 HydrophobicContact CD2-CB 3.9Å; Y128-E141 HydrophobicContact CD2-CB 4.13Å; Y128-E141 HydrophobicContact CE2-CB 3.54Å; Y128-E141 HydrophobicContact CE2-CG 4.01Å; Y128-E141 PolarHBondContact OH-OE2 3.34Å; Y128-L144 HydrophobicContact CD1-CD2 3.93Å; Y128-L144 HydrophobicContact CG-CD2 4.41Å; Y128-V202 HydrophobicContact CD1-CG1 4.42Å; Y128-V202 HydrophobicContact CE1-CG1 4.43Å; Y128-R206 HydrophobicContact CE1-CB 4.15Å; Y128-R206 HydrophobicContact CE1-CG 3.85Å; Y128-L208 HydrophobicContact CE1-CD2 4.03Å |
| 129 | I | 93.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70 | -34.1 | -175.9 | -164.6 | 63.7 | 0 | 0 | 0 | 112.6 | F125 N131 V201 R206 Y244 A248 | F125-I129 HydrophobicContact CD2-CB 4.45Å; F125-I129 HydrophobicContact CE1-CG2 4.44Å; F125-I129 HydrophobicContact CE2-CB 3.99Å; F125-I129 HydrophobicContact CE2-CG1 4.39Å; F125-I129 HydrophobicContact CE2-CG2 4.11Å; F125-I129 HydrophobicContact CZ-CB 4.38Å; F125-I129 HydrophobicContact CZ-CG2 4.06Å; F125-I129 WeakPolarHBondContact O-CG2 3.19Å; F125-I129 PolarHBondContact O-N 2.91Å; I129-N131 VanDerWaalsContact C-N 3.27Å; I129-N131 PolarHBondContact O-N 3.46Å; I129-V201 HydrophobicContact CD1-CG1 3.79Å; I129-V201 HydrophobicContact CG1-CG1 3.71Å; I129-R206 HydrophobicContact CD1-CG 4.03Å; I129-R206 PolarHBondContact O-NH2 3.38Å; I129-R206 VanDerWaalsContact O-NH2 3.12Å; I129-Y244 HydrophobicContact CG1-CD1 4.46Å; I129-Y244 HydrophobicContact CG2-CD1 4.28Å; I129-Y244 HydrophobicContact CG2-CE1 4.27Å; I129-A248 HydrophobicContact CD1-CB 3.96Å; I129-A248 HydrophobicContact CG1-CB 4.1Å |
| 130 | K | 91.3 | Very high | 92.4 | Very high | 115 Ų | 115 | 58 Ų | 58 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -75.7 | -13.3 | 178 | -74.9 | 167.7 | -177.8 | 179 | 0 | 113.4 | S126 Y128 P132 V247 | S126-K130 WeakPolarHBondContact O-CB 3.22Å; S126-K130 VanDerWaalsContact O-CD 3.32Å; S126-K130 WeakPolarHBondContact O-CD 3.34Å; S126-K130 WeakPolarHBondContact O-CG 3.4Å; S126-K130 PolarHBondContact O-N 3.35Å; Y128-K130 PolarHBondContact O-N 2.9Å; K130-P132 VanDerWaalsContact O-CD 3.28Å; K130-P132 WeakPolarHBondContact O-CD 3.34Å; K130-V247 HydrophobicContact CB-CG1 4.19Å; K130-V247 HydrophobicContact CD-CG1 4.16Å; K130-V247 HydrophobicContact CG-CG1 3.19Å |
| 131 | N | 89.3 | Confident | 92.4 | Very high | 18 Ų | 18 | 58.1 Ų | 58.1 | 10% | 0.096 | 31% | 0.305 | C | S | . | . | trans | -71.4 | 120.8 | -170.9 | 179.7 | 39.3 | 0 | 0 | 0 | 111.8 | A127 Y128 I129 R133 T136 L140 | A127-N131 WeakPolarHBondContact O-CB 3.26Å; A127-N131 PolarHBondContact O-N 2.92Å; Y128-N131 WeakPolarHBondContact O-CB 3.47Å; Y128-N131 PolarHBondContact O-N 3.5Å; I129-N131 VanDerWaalsContact C-N 3.27Å; I129-N131 PolarHBondContact O-N 3.46Å; N131-R133 PolarHBondContact ND2-O 3.11Å; N131-R133 WeakPolarHBondContact OD1-CB 3.43Å; N131-R133 PolarHBondContact OD1-N 2.96Å; N131-R133 VanDerWaalsContact OD1-N 3.09Å; N131-T136 PolarHBondContact ND2-OG1 3.39Å; N131-T136 PolarHBondContact OD1-OG1 3.11Å; N131-L140 HydrophobicContact CB-CD1 3.54Å; N131-L140 VanDerWaalsContact CG-CD1 3.5Å | ||
| 132 | P | 84.1 | Confident | 92.3 | Very high | 73 Ų | 73 | 65.1 Ų | 65.1 | 47% | 0.474 | 34% | 0.336 | S | S | . | . | trans | -90.8 | -9 | 174.1 | 36.3 | -33.7 | 0 | 0 | 0 | 113.2 | K130 K250 | K130-P132 VanDerWaalsContact O-CD 3.28Å; K130-P132 WeakPolarHBondContact O-CD 3.34Å; P132-K250 HydrophobicContact CB-CB 4.13Å; P132-K250 VanDerWaalsContact CB-O 3.32Å; P132-K250 WeakPolarHBondContact CB-O 3.35Å | ||
| 133 | R | 85.5 | Confident | 92.4 | Very high | 142 Ų | 142 | 64.8 Ų | 64.8 | 54% | 0.536 | 34% | 0.339 | S | S | . | . | trans | -95.9 | 121.7 | -169.8 | -76.9 | -177.4 | 68 | 160.7 | 3 | 112.2 | N131 D135 T136 H137 | N131-R133 PolarHBondContact ND2-O 3.11Å; N131-R133 WeakPolarHBondContact OD1-CB 3.43Å; N131-R133 PolarHBondContact OD1-N 2.96Å; N131-R133 VanDerWaalsContact OD1-N 3.09Å; R133-D135 WeakPolarHBondContact CB-OD1 3.4Å; R133-D135 IonicContact CZ-OD1 2.7Å; R133-D135 IonicContact CZ-OD2 3.47Å; R133-D135 IonicContact NE-OD1 2.79Å; R133-D135 PolarHBondContact NE-OD1 3.05Å; R133-D135 IonicContact NE-OD2 2.66Å; R133-D135 IonicContact NH2-OD1 3.62Å; R133-D135 IonicContact NH2-OD2 3.46Å; R133-D135 PolarHBondContact NH2-OD2 3.36Å; R133-T136 WeakPolarHBondContact CB-OG1 3.24Å; R133-T136 PolarHBondContact O-OG1 3.05Å; R133-H137 PolarHBondContact O-N 3.35Å | ||
| 134 | R | 83.5 | Confident | 92.4 | Very high | 168 Ų | 168 | 61.7 Ų | 61.7 | 63% | 0.634 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -67.6 | -36.2 | 178.8 | -70.9 | -175.2 | 168.9 | -177.2 | -2.9 | 113.3 | T136 H137 | R134-T136 VanDerWaalsContact C-N 3.26Å; R134-T136 PolarHBondContact O-N 3.44Å; R134-H137 VanDerWaalsContact O-CB 3.28Å; R134-H137 WeakPolarHBondContact O-CB 3.1Å; R134-H137 PolarHBondContact O-N 3.42Å |
| 135 | D | 87.3 | Confident | 92.5 | Very high | 112 Ų | 112 | 59.7 Ų | 59.7 | 60% | 0.599 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.5 | -176.7 | 63.9 | -51.5 | 0 | 0 | 0 | 113.6 | R133 | R133-D135 WeakPolarHBondContact CB-OD1 3.4Å; R133-D135 IonicContact CZ-OD1 2.7Å; R133-D135 IonicContact CZ-OD2 3.47Å; R133-D135 IonicContact NE-OD1 2.79Å; R133-D135 PolarHBondContact NE-OD1 3.05Å; R133-D135 IonicContact NE-OD2 2.66Å; R133-D135 IonicContact NH2-OD1 3.62Å; R133-D135 IonicContact NH2-OD2 3.46Å; R133-D135 PolarHBondContact NH2-OD2 3.36Å |
| 136 | T | 90.1 | Very high | 92.6 | Very high | 43 Ų | 43 | 65.9 Ų | 65.9 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -2.4 | 176.6 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | N131 R133 R134 A139 L140 | N131-T136 PolarHBondContact ND2-OG1 3.39Å; N131-T136 PolarHBondContact OD1-OG1 3.11Å; R133-T136 WeakPolarHBondContact CB-OG1 3.24Å; R133-T136 PolarHBondContact O-OG1 3.05Å; R134-T136 VanDerWaalsContact C-N 3.26Å; R134-T136 PolarHBondContact O-N 3.44Å; T136-A139 PolarHBondContact O-N 3Å; T136-L140 WeakPolarHBondContact O-CG 3.02Å; T136-L140 PolarHBondContact O-N 2.83Å; T136-L140 VanDerWaalsContact O-N 3.1Å |
| 137 | H | 89.4 | Confident | 92.7 | Very high | 33 Ų | 33 | 65 Ų | 65 | 15% | 0.153 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.1 | -54.5 | -173.9 | -177.2 | -84.7 | 0 | 0 | 0 | 111.7 | Y128 R133 R134 A139 L140 E141 | Y128-H137 AromaticContact CE2-CD2 3.93Å; Y128-H137 AromaticContact CE2-CE1 3.61Å; Y128-H137 AromaticContact CE2-NE2 3.44Å; Y128-H137 WeakPolarHBondContact CE2-NE2 3.23Å; Y128-H137 AromaticContact CZ-CE1 3.89Å; Y128-H137 AromaticContact CZ-NE2 3.7Å; Y128-H137 PolarHBondContact OH-CE1 3.22Å; Y128-H137 PolarHBondContact OH-NE2 3.28Å; R133-H137 PolarHBondContact O-N 3.35Å; R134-H137 VanDerWaalsContact O-CB 3.28Å; R134-H137 WeakPolarHBondContact O-CB 3.1Å; R134-H137 PolarHBondContact O-N 3.42Å; H137-A139 VanDerWaalsContact C-N 3.27Å; H137-A139 PolarHBondContact O-N 3.24Å; H137-L140 PolarHBondContact O-N 3.02Å; H137-L140 VanDerWaalsContact O-N 3.12Å; H137-E141 IonicContact CE1-OE2 3.64Å; H137-E141 PolarHBondContact CE1-OE2 3.18Å; H137-E141 IonicContact ND1-OE2 3.58Å; H137-E141 PolarHBondContact O-N 3.39Å |
| 138 | D | 92.6 | Very high | 92.9 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.3 | -35.5 | -177.8 | -63.5 | -5.8 | 0 | 0 | 0 | 112.4 | K142 | D138-K142 VanDerWaalsContact O-CB 3.3Å; D138-K142 WeakPolarHBondContact O-CB 3.48Å; D138-K142 WeakPolarHBondContact O-CG 3.43Å; D138-K142 PolarHBondContact O-N 3.14Å |
| 139 | A | 95.9 | Very high | 93.1 | Very high | 66 Ų | 66 | 68.8 Ų | 68.8 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T136 H137 A143 | T136-A139 PolarHBondContact O-N 3Å; H137-A139 VanDerWaalsContact C-N 3.27Å; H137-A139 PolarHBondContact O-N 3.24Å; A139-A143 WeakPolarHBondContact O-CB 3.43Å; A139-A143 PolarHBondContact O-N 3.29Å |
| 140 | L | 95.8 | Very high | 93.3 | Very high | 44 Ų | 44 | 75.4 Ų | 75.4 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.1 | -39.7 | 177.4 | -70.6 | 171.8 | 0 | 0 | 0 | 112 | A127 Y128 N131 T136 H137 A143 L144 | A127-L140 HydrophobicContact CB-CD2 4.06Å; Y128-L140 HydrophobicContact CD2-CB 3.9Å; N131-L140 HydrophobicContact CB-CD1 3.54Å; N131-L140 VanDerWaalsContact CG-CD1 3.5Å; T136-L140 WeakPolarHBondContact O-CG 3.02Å; T136-L140 PolarHBondContact O-N 2.83Å; T136-L140 VanDerWaalsContact O-N 3.1Å; H137-L140 PolarHBondContact O-N 3.02Å; H137-L140 VanDerWaalsContact O-N 3.12Å; L140-A143 PolarHBondContact O-N 2.88Å; L140-L144 PolarHBondContact O-N 2.85Å |
| 141 | E | 95.4 | Very high | 93.7 | Very high | 50 Ų | 50 | 70 Ų | 70 | 23% | 0.234 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.6 | -50.7 | 174.1 | -168.3 | 172.7 | 127.5 | 0 | 0 | 111 | Y128 H137 A143 L144 L145 L208 | Y128-E141 HydrophobicContact CD2-CB 4.13Å; Y128-E141 HydrophobicContact CE2-CB 3.54Å; Y128-E141 HydrophobicContact CE2-CG 4.01Å; Y128-E141 PolarHBondContact OH-OE2 3.34Å; H137-E141 IonicContact CE1-OE2 3.64Å; H137-E141 PolarHBondContact CE1-OE2 3.18Å; H137-E141 IonicContact ND1-OE2 3.58Å; H137-E141 PolarHBondContact O-N 3.39Å; E141-A143 VanDerWaalsContact C-N 3.25Å; E141-A143 PolarHBondContact O-N 2.76Å; E141-L144 WeakPolarHBondContact O-CB 3.39Å; E141-L144 PolarHBondContact O-N 2.71Å; E141-L144 VanDerWaalsContact O-N 3.1Å; E141-L145 HydrophobicContact CG-CD1 4.23Å; E141-L145 HydrophobicContact CG-CG 4.5Å; E141-L145 WeakPolarHBondContact O-CG 3.32Å; E141-L145 PolarHBondContact O-N 3.25Å; E141-L208 HydrophobicContact CG-CD2 4.12Å |
| 142 | K | 96.5 | Very high | 94.1 | Very high | 150 Ų | 150 | 69.3 Ų | 69.3 | 65% | 0.652 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.4 | -38.3 | 175.7 | -75.2 | 173.3 | -176.4 | 175.5 | 0 | 111.9 | D138 K146 | D138-K142 VanDerWaalsContact O-CB 3.3Å; D138-K142 WeakPolarHBondContact O-CB 3.48Å; D138-K142 WeakPolarHBondContact O-CG 3.43Å; D138-K142 PolarHBondContact O-N 3.14Å; K142-K146 WeakPolarHBondContact O-CB 3.46Å; K142-K146 PolarHBondContact O-N 3.22Å |
| 143 | A | 97.4 | Very high | 94.8 | Very high | 29 Ų | 29 | 69.7 Ų | 69.7 | 24% | 0.24 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K124 A139 L140 E141 K146 S147 | K124-A143 HydrophobicContact CD-CB 4.39Å; A139-A143 WeakPolarHBondContact O-CB 3.43Å; A139-A143 PolarHBondContact O-N 3.29Å; L140-A143 PolarHBondContact O-N 2.88Å; E141-A143 VanDerWaalsContact C-N 3.25Å; E141-A143 PolarHBondContact O-N 2.76Å; A143-K146 PolarHBondContact O-N 3.05Å; A143-S147 PolarHBondContact O-N 2.93Å; A143-S147 VanDerWaalsContact O-N 3.12Å; A143-S147 PolarHBondContact O-OG 3.33Å |
| 144 | L | 97.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.7 | -49.7 | 175.2 | 178.2 | 59 | 0 | 0 | 0 | 111.5 | I121 K124 F125 Y128 L140 E141 K146 S147 L148 L198 V202 | I121-L144 HydrophobicContact CG2-CD1 4.28Å; K124-L144 HydrophobicContact CB-CB 4.42Å; K124-L144 HydrophobicContact CB-CD1 4.04Å; F125-L144 HydrophobicContact CB-CD1 3.96Å; F125-L144 HydrophobicContact CB-CD2 4.47Å; Y128-L144 HydrophobicContact CD1-CD2 3.93Å; Y128-L144 HydrophobicContact CG-CD2 4.41Å; L140-L144 PolarHBondContact O-N 2.85Å; E141-L144 WeakPolarHBondContact O-CB 3.39Å; E141-L144 PolarHBondContact O-N 2.71Å; E141-L144 VanDerWaalsContact O-N 3.1Å; L144-K146 VanDerWaalsContact C-N 3.26Å; L144-K146 PolarHBondContact O-N 3.5Å; L144-S147 PolarHBondContact O-N 3.38Å; L144-S147 VanDerWaalsContact O-N 3.11Å; L144-L148 HydrophobicContact CG-CD1 4.26Å; L144-L148 PolarHBondContact O-N 3.36Å; L144-L198 HydrophobicContact CD1-CD1 3.92Å; L144-V202 HydrophobicContact CD2-CG1 4.5Å |
| 145 | L | 97.7 | Very high | 96.1 | Very high | 39 Ų | 39 | 56.8 Ų | 56.8 | 20% | 0.204 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -35.4 | 178.1 | -68.3 | 178.5 | 0 | 0 | 0 | 111.9 | E141 L148 R149 P211 M214 | E141-L145 HydrophobicContact CG-CD1 4.23Å; E141-L145 HydrophobicContact CG-CG 4.5Å; E141-L145 WeakPolarHBondContact O-CG 3.32Å; E141-L145 PolarHBondContact O-N 3.25Å; L145-L148 HydrophobicContact CD2-CD1 4.35Å; L145-L148 PolarHBondContact O-N 3.09Å; L145-R149 WeakPolarHBondContact O-CB 3.29Å; L145-R149 PolarHBondContact O-N 3.21Å; L145-P211 HydrophobicContact CD2-CG 3.77Å; L145-M214 HydrophobicContact CD2-CE 4.45Å |
| 146 | K | 98 | Very high | 96.5 | Very high | 130 Ų | 130 | 55 Ų | 55 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.4 | -41.9 | 173.7 | -174.9 | 176.4 | -177.5 | 175.2 | 0 | 112.1 | K142 A143 L144 R149 R150 | K142-K146 WeakPolarHBondContact O-CB 3.46Å; K142-K146 PolarHBondContact O-N 3.22Å; A143-K146 PolarHBondContact O-N 3.05Å; L144-K146 VanDerWaalsContact C-N 3.26Å; L144-K146 PolarHBondContact O-N 3.5Å; K146-R149 PolarHBondContact O-N 3.04Å; K146-R150 WeakPolarHBondContact O-CG 3.38Å; K146-R150 PolarHBondContact O-N 3.35Å; K146-R150 VanDerWaalsContact O-N 3.09Å |
| 147 | S | 98 | Very high | 96.8 | Very high | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.028 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.9 | -38.6 | 176 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | D120 A143 L144 R150 L151 | D120-S147 PolarHBondContact OD1-OG 2.93Å; D120-S147 PolarHBondContact OD2-OG 3.2Å; A143-S147 PolarHBondContact O-N 2.93Å; A143-S147 VanDerWaalsContact O-N 3.12Å; A143-S147 PolarHBondContact O-OG 3.33Å; L144-S147 PolarHBondContact O-N 3.38Å; L144-S147 VanDerWaalsContact O-N 3.11Å; S147-R150 PolarHBondContact O-N 3.47Å; S147-L151 PolarHBondContact O-N 3.22Å |
| 148 | L | 98.3 | Very high | 97 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 171.7 | -75.7 | 166.5 | 0 | 0 | 0 | 112 | I121 L144 L145 R150 L151 D152 L195 L198 M214 | I121-L148 HydrophobicContact CD1-CD2 4.2Å; I121-L148 HydrophobicContact CG2-CD2 4.22Å; L144-L148 HydrophobicContact CG-CD1 4.26Å; L144-L148 PolarHBondContact O-N 3.36Å; L145-L148 HydrophobicContact CD2-CD1 4.35Å; L145-L148 PolarHBondContact O-N 3.09Å; L148-R150 PolarHBondContact O-N 2.9Å; L148-L151 WeakPolarHBondContact O-CB 3.38Å; L148-L151 PolarHBondContact O-N 3.34Å; L148-L151 VanDerWaalsContact O-N 3.16Å; L148-D152 PolarHBondContact O-N 3.09Å; L148-L195 HydrophobicContact CD2-CD2 4.15Å; L148-L198 HydrophobicContact CD2-CD1 4.41Å; L148-M214 HydrophobicContact CB-CE 4.11Å; L148-M214 HydrophobicContact CB-SD 3.79Å |
| 149 | R | 98.3 | Very high | 97 | Very high | 121 Ų | 121 | 52.3 Ų | 52.3 | 46% | 0.457 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 177 | -169.1 | 160.6 | -69.4 | -167.7 | -2.7 | 112.3 | L145 K146 L151 D152 D153 E213 M214 | L145-R149 WeakPolarHBondContact O-CB 3.29Å; L145-R149 PolarHBondContact O-N 3.21Å; K146-R149 PolarHBondContact O-N 3.04Å; R149-L151 VanDerWaalsContact C-N 3.28Å; R149-L151 PolarHBondContact O-N 2.94Å; R149-D152 WeakPolarHBondContact O-CB 3.14Å; R149-D152 PolarHBondContact O-N 3.21Å; R149-D152 VanDerWaalsContact O-N 3.12Å; R149-D153 PolarHBondContact O-N 3.36Å; R149-E213 IonicContact NH2-OE1 3.51Å; R149-E213 PolarHBondContact NH2-OE1 3.04Å; R149-M214 HydrophobicContact CB-CE 4.05Å |
| 150 | R | 98.3 | Very high | 96.7 | Very high | 138 Ų | 138 | 53 Ų | 53 | 52% | 0.521 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 173.4 | -71.6 | 172 | 179.2 | -178.9 | -5.8 | 112.7 | K146 S147 L148 F154 | K146-R150 WeakPolarHBondContact O-CG 3.38Å; K146-R150 PolarHBondContact O-N 3.35Å; K146-R150 VanDerWaalsContact O-N 3.09Å; S147-R150 PolarHBondContact O-N 3.47Å; L148-R150 PolarHBondContact O-N 2.9Å; R150-F154 WeakPolarHBondContact O-CB 3.38Å; R150-F154 PolarHBondContact O-N 3.04Å |
| 151 | L | 98.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68 | -40 | 173.8 | 174.6 | 66 | 0 | 0 | 0 | 111.3 | A117 I121 S147 L148 R149 F154 L155 L179 L191 L195 V217 | A117-L151 HydrophobicContact CB-CD1 4.16Å; I121-L151 HydrophobicContact CD1-CB 3.88Å; I121-L151 HydrophobicContact CD1-CD2 3.62Å; I121-L151 HydrophobicContact CD1-CG 4.35Å; S147-L151 PolarHBondContact O-N 3.22Å; L148-L151 WeakPolarHBondContact O-CB 3.38Å; L148-L151 PolarHBondContact O-N 3.34Å; L148-L151 VanDerWaalsContact O-N 3.16Å; R149-L151 VanDerWaalsContact C-N 3.28Å; R149-L151 PolarHBondContact O-N 2.94Å; L151-F154 WeakPolarHBondContact O-CB 3.41Å; L151-F154 PolarHBondContact O-N 3.19Å; L151-L155 HydrophobicContact CD1-CD1 4.06Å; L151-L155 HydrophobicContact CD1-CG 4.26Å; L151-L155 HydrophobicContact CG-CD1 3.91Å; L151-L155 WeakPolarHBondContact O-CB 3.14Å; L151-L155 WeakPolarHBondContact O-CG 3.42Å; L151-L155 PolarHBondContact O-N 3.07Å; L151-L179 HydrophobicContact CD1-CD2 3.86Å; L151-L191 HydrophobicContact CD1-CD2 3.88Å; L151-L191 HydrophobicContact CD2-CD2 3.92Å; L151-L195 HydrophobicContact CD2-CD1 3.91Å; L151-L195 HydrophobicContact CD2-CD2 4.33Å; L151-V217 HydrophobicContact CB-CG2 4.5Å; L151-V217 HydrophobicContact CD2-CG2 4.19Å; L151-V217 HydrophobicContact CG-CG2 4.14Å |
| 152 | D | 98.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.2 | -49.9 | 174.7 | -168.6 | 67.9 | 0 | 0 | 0 | 112 | L148 R149 F154 L155 R156 M214 T215 G216 V217 | L148-D152 PolarHBondContact O-N 3.09Å; R149-D152 WeakPolarHBondContact O-CB 3.14Å; R149-D152 PolarHBondContact O-N 3.21Å; R149-D152 VanDerWaalsContact O-N 3.12Å; D152-F154 VanDerWaalsContact C-N 3.28Å; D152-F154 PolarHBondContact O-N 2.89Å; D152-L155 PolarHBondContact O-N 3.21Å; D152-L155 VanDerWaalsContact O-N 3.14Å; D152-R156 WeakPolarHBondContact O-CG 3.29Å; D152-R156 PolarHBondContact O-N 2.92Å; D152-R156 VanDerWaalsContact OD2-CD 3.32Å; D152-R156 WeakPolarHBondContact OD2-CD 3.44Å; D152-R156 IonicContact OD2-NH1 3.57Å; D152-M214 HydrophobicContact CB-CB 4.13Å; D152-M214 HydrophobicContact CB-CG 4.31Å; D152-M214 VanDerWaalsContact CG-CA 3.48Å; D152-M214 VanDerWaalsContact OD1-CA 3.23Å; D152-M214 WeakPolarHBondContact OD1-CA 3.42Å; D152-T215 PolarHBondContact OD1-N 2.86Å; D152-G216 VanDerWaalsContact OD1-CA 3.24Å; D152-G216 WeakPolarHBondContact OD1-CA 3.19Å; D152-G216 PolarHBondContact OD1-N 2.87Å; D152-V217 HydrophobicContact CB-CG2 3.82Å; D152-V217 PolarHBondContact OD1-N 3.48Å |
| 153 | D | 98 | Very high | 95.5 | Very high | 81 Ų | 81 | 53.1 Ų | 53.1 | 43% | 0.433 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.6 | -43.2 | 176.7 | -62.7 | -26.4 | 0 | 0 | 0 | 110.5 | R149 R156 T157 | R149-D153 PolarHBondContact O-N 3.36Å; D153-R156 PolarHBondContact O-N 3.33Å; D153-T157 WeakPolarHBondContact O-CB 3.32Å; D153-T157 PolarHBondContact O-N 3.09Å; D153-T157 PolarHBondContact O-OG1 3.44Å |
| 154 | F | 98 | Very high | 94.8 | Very high | 38 Ų | 38 | 56.7 Ų | 56.7 | 17% | 0.167 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60 | -49 | 174.7 | 175.3 | -98.8 | 0 | 0 | 0 | 112.2 | E113 A114 A117 R150 L151 D152 R156 T157 R176 L179 | E113-F154 HydrophobicContact CB-CE2 4.04Å; E113-F154 HydrophobicContact CG-CE2 3.65Å; E113-F154 HydrophobicContact CG-CZ 4.16Å; A114-F154 HydrophobicContact CB-CZ 4.44Å; A117-F154 HydrophobicContact CB-CD1 3.59Å; A117-F154 HydrophobicContact CB-CD2 4.48Å; A117-F154 HydrophobicContact CB-CE1 3.63Å; A117-F154 HydrophobicContact CB-CG 4.04Å; A117-F154 HydrophobicContact CB-CZ 4.11Å; R150-F154 WeakPolarHBondContact O-CB 3.38Å; R150-F154 PolarHBondContact O-N 3.04Å; L151-F154 WeakPolarHBondContact O-CB 3.41Å; L151-F154 PolarHBondContact O-N 3.19Å; D152-F154 VanDerWaalsContact C-N 3.28Å; D152-F154 PolarHBondContact O-N 2.89Å; F154-R156 PolarHBondContact O-N 3.42Å; F154-T157 PolarHBondContact O-N 3.41Å; F154-R176 VanDerWaalsContact CE1-NH2 3.34Å; F154-R176 PolarHBondContact O-NH2 2.87Å; F154-L179 HydrophobicContact CD1-CD2 4.16Å; F154-L179 HydrophobicContact CE1-CB 4.46Å; F154-L179 HydrophobicContact CE1-CD2 3.88Å |
| 155 | L | 98.1 | Very high | 94 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.3 | -24.7 | -179.7 | -74.9 | 164.8 | 0 | 0 | 0 | 113.1 | L151 D152 S174 L179 V217 R219 Y220 | L151-L155 HydrophobicContact CD1-CD1 4.06Å; L151-L155 HydrophobicContact CD1-CG 4.26Å; L151-L155 HydrophobicContact CG-CD1 3.91Å; L151-L155 WeakPolarHBondContact O-CB 3.14Å; L151-L155 WeakPolarHBondContact O-CG 3.42Å; L151-L155 PolarHBondContact O-N 3.07Å; D152-L155 PolarHBondContact O-N 3.21Å; D152-L155 VanDerWaalsContact O-N 3.14Å; L155-S174 WeakPolarHBondContact O-CB 3.34Å; L155-L179 HydrophobicContact CD2-CD2 4.11Å; L155-V217 HydrophobicContact CD1-CG2 4.14Å; L155-R219 PolarHBondContact O-NH2 2.88Å; L155-Y220 HydrophobicContact CD1-CD1 4.24Å; L155-Y220 HydrophobicContact CD1-CG 4.07Å; L155-Y220 HydrophobicContact CD2-CD2 4.28Å; L155-Y220 HydrophobicContact CD2-CG 4.24Å |
| 156 | R | 97.1 | Very high | 93.2 | Very high | 75 Ų | 75 | 66.1 Ų | 66.1 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -89.8 | -20.6 | 177.2 | -70.1 | 174.2 | 64.5 | -160 | -4.9 | 113.3 | D152 D153 F154 P158 E173 S174 | D152-R156 WeakPolarHBondContact O-CG 3.29Å; D152-R156 PolarHBondContact O-N 2.92Å; D152-R156 VanDerWaalsContact OD2-CD 3.32Å; D152-R156 WeakPolarHBondContact OD2-CD 3.44Å; D152-R156 IonicContact OD2-NH1 3.57Å; D153-R156 PolarHBondContact O-N 3.33Å; F154-R156 PolarHBondContact O-N 3.42Å; R156-P158 WeakPolarHBondContact O-CD 3.47Å; R156-E173 IonicContact CZ-OE1 2.69Å; R156-E173 IonicContact CZ-OE2 3.21Å; R156-E173 IonicContact NE-OE1 2.71Å; R156-E173 PolarHBondContact NE-OE1 3.22Å; R156-E173 IonicContact NE-OE2 3.27Å; R156-E173 PolarHBondContact NE-OE2 2.97Å; R156-E173 IonicContact NH2-OE1 3.44Å; R156-E173 PolarHBondContact NH2-OE1 3.04Å; R156-E173 IonicContact NH2-OE2 3.75Å; R156-S174 PolarHBondContact O-N 3.23Å |
| 157 | T | 95.9 | Very high | 92.5 | Very high | 85 Ų | 85 | 62.6 Ų | 62.6 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -77.8 | 121.8 | 176.4 | -58.2 | 0 | 0 | 0 | 0 | 110 | D153 F154 R176 | D153-T157 WeakPolarHBondContact O-CB 3.32Å; D153-T157 PolarHBondContact O-N 3.09Å; D153-T157 PolarHBondContact O-OG1 3.44Å; F154-T157 PolarHBondContact O-N 3.41Å; T157-R176 PolarHBondContact O-NH1 2.84Å |
| 158 | P | 94.1 | Very high | 91.5 | Very high | 25 Ų | 25 | 69.8 Ų | 69.8 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 140.2 | 177.3 | -26.5 | 35.7 | 0 | 0 | 0 | 113.5 | R156 E162 I163 P172 | R156-P158 WeakPolarHBondContact O-CD 3.47Å; P158-E162 HydrophobicContact CB-CB 3.98Å; P158-I163 HydrophobicContact CB-CD1 4.42Å; P158-I163 HydrophobicContact CB-CG1 3.92Å; P158-P172 WeakPolarHBondContact CG-O 3.44Å |
| 159 | L | 92.7 | Very high | 90.6 | Very high | 11 Ų | 11 | 72.6 Ų | 72.6 | 6% | 0.058 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 165.9 | 166 | -63.8 | 176.1 | 0 | 0 | 0 | 110.7 | E161 E162 I163 | L159-E161 PolarHBondContact O-N 3.47Å; L159-E161 VanDerWaalsContact O-N 3.14Å; L159-E162 PolarHBondContact N-OE2 3.06Å; L159-E162 WeakPolarHBondContact O-CB 3.37Å; L159-E162 PolarHBondContact O-N 3.18Å; L159-I163 WeakPolarHBondContact O-CG1 3.16Å; L159-I163 PolarHBondContact O-N 3.21Å |
| 160 | S | 89.1 | Confident | 89.8 | Confident | 80 Ų | 80 | 74.9 Ų | 74.9 | 56% | 0.559 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -56.9 | -32.8 | -176.6 | 68.4 | 0 | 0 | 0 | 0 | 113.7 | H111 I163 | H111-S160 PolarHBondContact NE2-OG 3.16Å; S160-I163 PolarHBondContact O-N 3.29Å |
| 161 | E | 87.6 | Confident | 89.1 | Confident | 115 Ų | 115 | 72.8 Ų | 72.8 | 54% | 0.537 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -80.1 | -15.8 | 179.2 | -58.6 | 89.5 | 153.5 | 0 | 0 | 113.6 | H111 L159 I163 | H111-E161 IonicContact CE1-OE1 3.11Å; H111-E161 PolarHBondContact CE1-OE1 3.24Å; H111-E161 IonicContact CE1-OE2 2.91Å; H111-E161 PolarHBondContact CE1-OE2 3.12Å; H111-E161 IonicContact NE2-OE1 3.42Å; H111-E161 PolarHBondContact NE2-OE1 3.37Å; H111-E161 IonicContact NE2-OE2 2.93Å; H111-E161 PolarHBondContact NE2-OE2 2.87Å; L159-E161 PolarHBondContact O-N 3.47Å; L159-E161 VanDerWaalsContact O-N 3.14Å; E161-I163 VanDerWaalsContact C-N 3.33Å |
| 162 | E | 87.3 | Confident | 88.5 | Confident | 62 Ų | 62 | 77 Ų | 77 | 29% | 0.29 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -86.6 | -9.2 | 173.5 | -64.5 | -178.8 | 99.5 | 0 | 0 | 111.8 | P158 L159 S174 T175 R176 | P158-E162 HydrophobicContact CB-CB 3.98Å; L159-E162 PolarHBondContact N-OE2 3.06Å; L159-E162 WeakPolarHBondContact O-CB 3.37Å; L159-E162 PolarHBondContact O-N 3.18Å; E162-S174 PolarHBondContact OE1-OG 2.82Å; E162-S174 PolarHBondContact OE2-OG 3.3Å; E162-T175 PolarHBondContact OE1-N 2.77Å; E162-T175 VanDerWaalsContact OE1-N 3.11Å; E162-R176 PolarHBondContact OE1-N 3.37Å; E162-R176 IonicContact OE2-NH1 2.74Å; E162-R176 PolarHBondContact OE2-NH1 3.2Å |
| 163 | I | 88.1 | Confident | 88.2 | Confident | 70 Ų | 70 | 81.6 Ų | 81.6 | 36% | 0.359 | 48% | 0.476 | S | S | . | . | trans | -94.4 | 115.4 | -176.4 | -63.1 | 169.4 | 0 | 0 | 0 | 109.5 | P158 L159 S160 E161 A165 L171 | P158-I163 HydrophobicContact CB-CD1 4.42Å; P158-I163 HydrophobicContact CB-CG1 3.92Å; L159-I163 WeakPolarHBondContact O-CG1 3.16Å; L159-I163 PolarHBondContact O-N 3.21Å; S160-I163 PolarHBondContact O-N 3.29Å; E161-I163 VanDerWaalsContact C-N 3.33Å; I163-A165 PolarHBondContact O-N 3.07Å; I163-L171 HydrophobicContact CD1-CD1 3.99Å; I163-L171 HydrophobicContact CG1-CD1 4.13Å; I163-L171 HydrophobicContact CG1-CD2 4.34Å; I163-L171 HydrophobicContact CG2-CD1 4.46Å; I163-L171 HydrophobicContact CG2-CD2 3.83Å | ||
| 164 | D | 82.8 | Confident | 88.1 | Confident | 104 Ų | 104 | 77.8 Ų | 77.8 | 56% | 0.556 | 46% | 0.456 | S | S | * | . | trans | -77.4 | 116.1 | 166.8 | -177.6 | -2.2 | 0 | 0 | 0 | 109.3 | D166 A167 | D164-D166 PolarHBondContact O-N 3.43Å; D164-D166 PolarHBondContact OD1-N 3.12Å; D164-A167 HydrophobicContact CB-CB 4.05Å; D164-A167 WeakPolarHBondContact O-CB 3.33Å; D164-A167 PolarHBondContact O-N 3.26Å; D164-A167 VanDerWaalsContact O-N 3.13Å | ||
| 165 | A | 79.5 | Confident | 88 | Confident | 96 Ų | 96 | 81.6 Ų | 81.6 | 79% | 0.793 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I163 | I163-A165 PolarHBondContact O-N 3.07Š|
| 166 | D | 81.9 | Confident | 87.9 | Confident | 143 Ų | 143 | 82 Ų | 82 | 77% | 0.765 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -0.4 | -179.5 | -63.6 | -41.3 | 0 | 0 | 0 | 112.6 | D164 V168 | D164-D166 PolarHBondContact O-N 3.43Å; D164-D166 PolarHBondContact OD1-N 3.12Å; D166-V168 PolarHBondContact O-N 3.47Å |
| 167 | A | 82.8 | Confident | 87.9 | Confident | 56 Ų | 56 | 80.2 Ų | 80.2 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | trans | -67.4 | 129.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D164 | D164-A167 HydrophobicContact CB-CB 4.05Å; D164-A167 WeakPolarHBondContact O-CB 3.33Å; D164-A167 PolarHBondContact O-N 3.26Å; D164-A167 VanDerWaalsContact O-N 3.13Å | ||
| 168 | V | 76.1 | Confident | 88 | Confident | 154 Ų | 154 | 76.4 Ų | 76.4 | 93% | 0.933 | 46% | 0.459 | S | S | * | . | trans | -100.8 | 118 | 177.4 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | D166 | D166-V168 PolarHBondContact O-N 3.47Š| ||
| 169 | G | 81.1 | Confident | 88.2 | Confident | 64 Ų | 64 | 75.2 Ų | 75.2 | 66% | 0.66 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 125.7 | -166.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 170 | D | 81.3 | Confident | 88.4 | Confident | 168 Ų | 168 | 75.6 Ų | 75.6 | 90% | 0.898 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -68.9 | 138.8 | 173.8 | -66.9 | -34.6 | 0 | 0 | 0 | 110.2 | ||
| 171 | L | 81.9 | Confident | 88.8 | Confident | 94 Ų | 94 | 72.2 Ų | 72.2 | 49% | 0.492 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 134.8 | 176.9 | -68.4 | 173 | 0 | 0 | 0 | 110.2 | I163 | I163-L171 HydrophobicContact CD1-CD1 3.99Å; I163-L171 HydrophobicContact CG1-CD1 4.13Å; I163-L171 HydrophobicContact CG1-CD2 4.34Å; I163-L171 HydrophobicContact CG2-CD1 4.46Å; I163-L171 HydrophobicContact CG2-CD2 3.83Å |
| 172 | P | 87.6 | Confident | 89.2 | Confident | 92 Ų | 92 | 71.1 Ų | 71.1 | 60% | 0.597 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 160.3 | 174.1 | 29.4 | -34.9 | 0 | 0 | 0 | 110.6 | P158 | P158-P172 WeakPolarHBondContact CG-O 3.44Š|
| 173 | E | 92.3 | Very high | 89.6 | Confident | 99 Ų | 99 | 73.5 Ų | 73.5 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 146.9 | 171.4 | -68.2 | -170.3 | -164.1 | 0 | 0 | 111.4 | R156 | R156-E173 IonicContact CZ-OE1 2.69Å; R156-E173 IonicContact CZ-OE2 3.21Å; R156-E173 IonicContact NE-OE1 2.71Å; R156-E173 PolarHBondContact NE-OE1 3.22Å; R156-E173 IonicContact NE-OE2 3.27Å; R156-E173 PolarHBondContact NE-OE2 2.97Å; R156-E173 IonicContact NH2-OE1 3.44Å; R156-E173 PolarHBondContact NH2-OE1 3.04Å; R156-E173 IonicContact NH2-OE2 3.75Å |
| 174 | S | 95.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.014 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 141.3 | 174.9 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | L155 R156 E162 R176 R219 | L155-S174 WeakPolarHBondContact O-CB 3.34Å; R156-S174 PolarHBondContact O-N 3.23Å; E162-S174 PolarHBondContact OE1-OG 2.82Å; E162-S174 PolarHBondContact OE2-OG 3.3Å; S174-R176 VanDerWaalsContact OG-CG 3.32Å; S174-R176 WeakPolarHBondContact OG-CG 3.45Å; S174-R176 PolarHBondContact OG-N 3.11Å; S174-R176 PolarHBondContact OG-NH1 2.73Å; S174-R219 VanDerWaalsContact O-CZ 3.27Å; S174-R219 PolarHBondContact O-NH1 3.48Å; S174-R219 PolarHBondContact O-NH2 3.45Å |
| 175 | T | 94.8 | Very high | 90.8 | Very high | 117 Ų | 117 | 66.1 Ų | 66.1 | 72% | 0.718 | 41% | 0.407 | S | S | * | . | trans | -110 | 1.6 | 177.7 | 61 | 0 | 0 | 0 | 0 | 112.4 | E162 | E162-T175 PolarHBondContact OE1-N 2.77Å; E162-T175 VanDerWaalsContact OE1-N 3.11Å | ||
| 176 | R | 96.4 | Very high | 91.6 | Very high | 10 Ų | 10 | 62 Ų | 62 | 4% | 0.038 | 37% | 0.372 | C | S | . | . | trans | -59.6 | 146.6 | -177.7 | 77.1 | -176.1 | -179.8 | -91.4 | 4.9 | 113.2 | F154 T157 E162 S174 F178 L179 R219 | F154-R176 VanDerWaalsContact CE1-NH2 3.34Å; F154-R176 PolarHBondContact O-NH2 2.87Å; T157-R176 PolarHBondContact O-NH1 2.84Å; E162-R176 PolarHBondContact OE1-N 3.37Å; E162-R176 IonicContact OE2-NH1 2.74Å; E162-R176 PolarHBondContact OE2-NH1 3.2Å; S174-R176 VanDerWaalsContact OG-CG 3.32Å; S174-R176 WeakPolarHBondContact OG-CG 3.45Å; S174-R176 PolarHBondContact OG-N 3.11Å; S174-R176 PolarHBondContact OG-NH1 2.73Å; R176-F178 VanDerWaalsContact CD-O 3.22Å; R176-F178 WeakPolarHBondContact CD-O 3.27Å; R176-F178 VanDerWaalsContact CG-O 3.26Å; R176-F178 WeakPolarHBondContact CG-O 3.37Å; R176-F178 PolarHBondContact NE-O 3.15Å; R176-L179 PolarHBondContact NE-O 3.3Å; R176-R219 PolarHBondContact O-NE 2.66Å; R176-R219 PolarHBondContact O-NH2 3.17Å | ||
| 177 | S | 97.4 | Very high | 92.4 | Very high | 38 Ų | 38 | 55.4 Ų | 55.4 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -78.8 | -36.1 | -178.5 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | Y220 | S177-Y220 WeakPolarHBondContact O-CD2 3.34Š|
| 178 | F | 98.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -133.3 | 178.6 | -171.6 | -55 | -63.7 | 0 | 0 | 0 | 112.3 | R176 D180 G181 P182 L184 Y220 C223 A224 R227 | R176-F178 VanDerWaalsContact CD-O 3.22Å; R176-F178 WeakPolarHBondContact CD-O 3.27Å; R176-F178 VanDerWaalsContact CG-O 3.26Å; R176-F178 WeakPolarHBondContact CG-O 3.37Å; R176-F178 PolarHBondContact NE-O 3.15Å; F178-D180 VanDerWaalsContact C-N 3.28Å; F178-D180 PolarHBondContact O-N 3.5Å; F178-G181 WeakPolarHBondContact CA-O 3.46Å; F178-G181 PolarHBondContact N-O 3.02Å; F178-G181 PolarHBondContact O-N 3.03Å; F178-P182 WeakPolarHBondContact CD2-O 3.28Å; F178-P182 WeakPolarHBondContact CE2-O 3.41Å; F178-L184 HydrophobicContact CD1-CD2 3.51Å; F178-L184 HydrophobicContact CD1-CG 4.21Å; F178-L184 HydrophobicContact CD2-CD2 4.32Å; F178-L184 HydrophobicContact CD2-CG 4.22Å; F178-L184 HydrophobicContact CE1-CD2 3.59Å; F178-L184 HydrophobicContact CE1-CG 4.05Å; F178-L184 HydrophobicContact CE2-CD2 4.39Å; F178-L184 HydrophobicContact CE2-CG 4.05Å; F178-L184 HydrophobicContact CG-CD2 3.91Å; F178-L184 HydrophobicContact CG-CG 4.31Å; F178-L184 HydrophobicContact CZ-CD2 4.06Å; F178-L184 HydrophobicContact CZ-CG 3.98Å; F178-Y220 HydrophobicContact CB-CE2 4.13Å; F178-Y220 HydrophobicContact CD1-CD2 4.06Å; F178-Y220 AromaticContact CD1-CE2 3.79Å; F178-Y220 HydrophobicContact CD1-CE2 3.79Å; F178-Y220 HydrophobicContact CG-CE2 4.46Å; F178-C223 HydrophobicContact CE1-CB 3.91Å; F178-C223 HydrophobicContact CZ-CB 4.14Å; F178-A224 HydrophobicContact CE1-CB 4.44Å; F178-R227 HydrophobicContact CE1-CG 4.34Å; F178-R227 HydrophobicContact CZ-CG 3.66Å |
| 179 | L | 98 | Very high | 94.2 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -39.7 | -169.3 | -71.4 | 170.9 | 0 | 0 | 0 | 113.4 | A114 A117 L151 F154 L155 R176 A187 D188 L191 Y220 | A114-L179 HydrophobicContact CB-CB 4.19Å; A117-L179 HydrophobicContact CB-CD2 3.95Å; L151-L179 HydrophobicContact CD1-CD2 3.86Å; F154-L179 HydrophobicContact CD1-CD2 4.16Å; F154-L179 HydrophobicContact CE1-CB 4.46Å; F154-L179 HydrophobicContact CE1-CD2 3.88Å; L155-L179 HydrophobicContact CD2-CD2 4.11Å; R176-L179 PolarHBondContact NE-O 3.3Å; L179-A187 HydrophobicContact CD1-CB 3.78Å; L179-D188 WeakPolarHBondContact CB-OD1 3.49Å; L179-D188 WeakPolarHBondContact CG-OD1 3.2Å; L179-D188 PolarHBondContact N-OD1 3.4Å; L179-L191 HydrophobicContact CD1-CB 4.26Å; L179-L191 HydrophobicContact CD1-CD2 3.86Å; L179-L191 HydrophobicContact CD2-CD2 4.01Å; L179-L191 HydrophobicContact CG-CD2 4.42Å; L179-Y220 HydrophobicContact CG-CE2 4.22Å |
| 180 | D | 97.4 | Very high | 94.9 | Very high | 18 Ų | 18 | 44 Ų | 44 | 10% | 0.096 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 13.8 | -172.2 | -167.5 | 57.3 | 0 | 0 | 0 | 113.4 | P109 K110 H111 A114 F178 T185 | P109-D180 WeakPolarHBondContact CA-OD2 3.29Å; P109-D180 HydrophobicContact CB-CB 3.88Å; P109-D180 WeakPolarHBondContact CB-OD2 3.45Å; K110-D180 PolarHBondContact N-OD1 2.74Å; K110-D180 PolarHBondContact N-OD2 3.34Å; H111-D180 WeakPolarHBondContact CB-OD1 3.42Å; H111-D180 IonicContact CE1-OD1 3.76Å; H111-D180 IonicContact CG-OD1 3.92Å; H111-D180 VanDerWaalsContact CG-OD1 3.29Å; H111-D180 PolarHBondContact N-OD1 2.95Å; H111-D180 IonicContact ND1-OD1 3.29Å; H111-D180 PolarHBondContact ND1-OD1 2.88Å; A114-D180 HydrophobicContact CB-CB 4Å; F178-D180 VanDerWaalsContact C-N 3.28Å; F178-D180 PolarHBondContact O-N 3.5Å; D180-T185 HydrophobicContact CB-CG2 3.8Å |
| 181 | G | 96.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 9% | 0.093 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | 139.4 | -149.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | F178 | F178-G181 WeakPolarHBondContact CA-O 3.46Å; F178-G181 PolarHBondContact N-O 3.02Å; F178-G181 PolarHBondContact O-N 3.03Å |
| 182 | P | 95.7 | Very high | 96.5 | Very high | 93 Ų | 93 | 31.9 Ų | 31.9 | 60% | 0.604 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -82.5 | -14.2 | -175.2 | 32.6 | -35.7 | 0 | 0 | 0 | 114.3 | F178 | F178-P182 WeakPolarHBondContact CD2-O 3.28Å; F178-P182 WeakPolarHBondContact CE2-O 3.41Å |
| 183 | E | 96 | Very high | 97 | Very high | 112 Ų | 112 | 27.5 Ų | 27.5 | 52% | 0.523 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -113.6 | 154.3 | -179.6 | -66.1 | -57.4 | 154.4 | 0 | 0 | 112.6 | R227 | E183-R227 IonicContact OE2-CZ 2.87Å; E183-R227 IonicContact OE2-NH1 3.02Å; E183-R227 PolarHBondContact OE2-NH1 2.9Å; E183-R227 IonicContact OE2-NH2 3.21Å; E183-R227 PolarHBondContact OE2-NH2 2.91Å; E183-R227 VanDerWaalsContact OE2-NH2 3.09Å |
| 184 | L | 97.9 | Very high | 97.2 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | trans | -69.7 | 137.7 | 177 | -74 | 168 | 0 | 0 | 0 | 111.4 | L44 F178 D188 L192 R227 E229 | L44-L184 HydrophobicContact CD1-CB 3.8Å; L44-L184 HydrophobicContact CD1-CD1 4.42Å; L44-L184 HydrophobicContact CD2-CB 3.89Å; L44-L184 HydrophobicContact CD2-CD1 3.99Å; F178-L184 HydrophobicContact CD1-CD2 3.51Å; F178-L184 HydrophobicContact CD1-CG 4.21Å; F178-L184 HydrophobicContact CD2-CD2 4.32Å; F178-L184 HydrophobicContact CD2-CG 4.22Å; F178-L184 HydrophobicContact CE1-CD2 3.59Å; F178-L184 HydrophobicContact CE1-CG 4.05Å; F178-L184 HydrophobicContact CE2-CD2 4.39Å; F178-L184 HydrophobicContact CE2-CG 4.05Å; F178-L184 HydrophobicContact CG-CD2 3.91Å; F178-L184 HydrophobicContact CG-CG 4.31Å; F178-L184 HydrophobicContact CZ-CD2 4.06Å; F178-L184 HydrophobicContact CZ-CG 3.98Å; L184-D188 HydrophobicContact CD2-CB 3.56Å; L184-L192 HydrophobicContact CD2-CD1 3.69Å; L184-R227 HydrophobicContact CD1-CB 4.07Å; L184-R227 HydrophobicContact CD1-CG 4.04Å; L184-E229 HydrophobicContact CD1-CB 4.43Å | ||
| 185 | T | 97.6 | Very high | 97.2 | Very high | 12 Ų | 12 | 24.6 Ų | 24.6 | 7% | 0.074 | 14% | 0.14 | C | C | . | . | trans | -121 | 177.2 | 178 | 65 | 0 | 0 | 0 | 0 | 112.1 | L107 P109 D180 A187 D188 C189 | L107-T185 CarbonylContact O-C 3.56Å; L107-T185 VanDerWaalsContact O-CA 3.3Å; L107-T185 WeakPolarHBondContact O-CA 3.44Å; L107-T185 VanDerWaalsContact O-CB 3.24Å; L107-T185 WeakPolarHBondContact O-CB 3.45Å; P109-T185 HydrophobicContact CB-CG2 4.39Å; D180-T185 HydrophobicContact CB-CG2 3.8Å; T185-A187 PolarHBondContact O-N 3.45Å; T185-A187 PolarHBondContact OG1-N 3.21Å; T185-D188 PolarHBondContact N-OD2 3.16Å; T185-D188 WeakPolarHBondContact O-CB 3.21Å; T185-D188 PolarHBondContact O-N 2.83Å; T185-D188 VanDerWaalsContact O-N 3.14Å; T185-D188 PolarHBondContact OG1-OD2 3.43Å; T185-C189 PolarHBondContact O-N 3.38Å; T185-C189 VanDerWaalsContact O-N 3.08Å; T185-C189 PolarHBondContact O-SG 2.92Å | ||
| 186 | L | 97.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 19.4 Ų | 19.4 | 6% | 0.058 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.2 | -34.7 | 172.3 | -63.3 | 179.5 | 0 | 0 | 0 | 112.1 | I41 E89 E93 L107 A108 D188 C189 N190 | I41-L186 HydrophobicContact CD1-CD2 3.8Å; I41-L186 HydrophobicContact CG1-CD2 3.75Å; I41-L186 HydrophobicContact CG2-CD2 4.24Å; E89-L186 HydrophobicContact CG-CD1 3.94Å; E89-L186 HydrophobicContact CG-CD2 3.94Å; E89-L186 HydrophobicContact CG-CG 4.43Å; E93-L186 HydrophobicContact CB-CD1 4.35Å; E93-L186 HydrophobicContact CG-CD1 4.2Å; L107-L186 HydrophobicContact CB-CD2 3.74Å; L107-L186 HydrophobicContact CB-CG 3.78Å; L107-L186 HydrophobicContact CD1-CD2 4.28Å; L107-L186 PolarHBondContact O-N 2.8Å; A108-L186 HydrophobicContact CB-CD1 4.26Å; L186-D188 VanDerWaalsContact C-N 3.31Å; L186-D188 PolarHBondContact O-N 2.93Å; L186-C189 PolarHBondContact O-N 2.97Å; L186-N190 PolarHBondContact O-N 2.97Å |
| 187 | A | 97.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P109 A114 L179 T185 N190 L191 | P109-A187 HydrophobicContact CG-CB 4.36Å; A114-A187 HydrophobicContact CB-CB 4.31Å; A114-A187 WeakPolarHBondContact O-CB 3.46Å; L179-A187 HydrophobicContact CD1-CB 3.78Å; T185-A187 PolarHBondContact O-N 3.45Å; T185-A187 PolarHBondContact OG1-N 3.21Å; A187-N190 PolarHBondContact O-N 3.38Å; A187-L191 PolarHBondContact O-N 3.26Å |
| 188 | D | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.2 | -43.2 | 177.1 | -57.7 | -69.6 | 0 | 0 | 0 | 111.7 | L179 L184 T185 L186 N190 L191 L192 Y220 | L179-D188 WeakPolarHBondContact CB-OD1 3.49Å; L179-D188 WeakPolarHBondContact CG-OD1 3.2Å; L179-D188 PolarHBondContact N-OD1 3.4Å; L184-D188 HydrophobicContact CD2-CB 3.56Å; T185-D188 PolarHBondContact N-OD2 3.16Å; T185-D188 WeakPolarHBondContact O-CB 3.21Å; T185-D188 PolarHBondContact O-N 2.83Å; T185-D188 VanDerWaalsContact O-N 3.14Å; T185-D188 PolarHBondContact OG1-OD2 3.43Å; L186-D188 VanDerWaalsContact C-N 3.31Å; L186-D188 PolarHBondContact O-N 2.93Å; D188-N190 PolarHBondContact O-N 2.78Å; D188-L191 PolarHBondContact O-N 3.31Å; D188-L192 HydrophobicContact CB-CD1 4.02Å; D188-L192 VanDerWaalsContact O-CB 3.29Å; D188-L192 WeakPolarHBondContact O-CB 3.37Å; D188-L192 WeakPolarHBondContact O-CG 3.48Å; D188-L192 PolarHBondContact O-N 2.92Å; D188-Y220 WeakPolarHBondContact CA-OH 3.26Å; D188-Y220 WeakPolarHBondContact OD1-CE2 3.22Å; D188-Y220 PolarHBondContact OD1-OH 3.06Å |
| 189 | C | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.9 | -30.9 | 176.1 | -61.8 | 0 | 0 | 0 | 0 | 112 | R37 M40 I41 L44 T185 L186 P193 | R37-C189 WeakPolarHBondContact CA-O 3.49Å; R37-C189 VanDerWaalsContact CB-O 3.27Å; R37-C189 WeakPolarHBondContact CB-O 3.39Å; R37-C189 HydrophobicContact CG-CB 4.13Å; R37-C189 WeakPolarHBondContact CG-O 3.31Å; M40-C189 HydrophobicContact CB-CB 4.27Å; I41-C189 HydrophobicContact CD1-CB 4.33Å; I41-C189 HydrophobicContact CG1-CB 3.86Å; L44-C189 WeakPolarHBondContact CD1-SG 3.37Å; T185-C189 PolarHBondContact O-N 3.38Å; T185-C189 VanDerWaalsContact O-N 3.08Å; T185-C189 PolarHBondContact O-SG 2.92Å; L186-C189 PolarHBondContact O-N 2.97Å; C189-P193 WeakPolarHBondContact O-CD 3.35Å; C189-P193 WeakPolarHBondContact O-CG 3.36Å |
| 190 | N | 97.2 | Very high | 97 | Very high | 33 Ų | 33 | 19.2 Ų | 19.2 | 18% | 0.176 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -80 | -37.3 | 177.3 | -178.8 | 40.8 | 0 | 0 | 0 | 113.3 | R37 L186 A187 D188 K194 | R37-N190 PolarHBondContact NH1-OD1 2.89Å; L186-N190 PolarHBondContact O-N 2.97Å; A187-N190 PolarHBondContact O-N 3.38Å; D188-N190 PolarHBondContact O-N 2.78Å; N190-K194 WeakPolarHBondContact O-CD 3.24Å; N190-K194 WeakPolarHBondContact O-CE 3.32Å; N190-K194 PolarHBondContact OD1-NZ 2.9Å |
| 191 | L | 98.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 18.4 Ų | 18.4 | 5% | 0.047 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -88.9 | -43.1 | -173.2 | -177.1 | 61.2 | 0 | 0 | 0 | 113.1 | L151 L179 A187 D188 K194 L195 Y220 | L151-L191 HydrophobicContact CD1-CD2 3.88Å; L151-L191 HydrophobicContact CD2-CD2 3.92Å; L179-L191 HydrophobicContact CD1-CB 4.26Å; L179-L191 HydrophobicContact CD1-CD2 3.86Å; L179-L191 HydrophobicContact CD2-CD2 4.01Å; L179-L191 HydrophobicContact CG-CD2 4.42Å; A187-L191 PolarHBondContact O-N 3.26Å; D188-L191 PolarHBondContact O-N 3.31Å; L191-K194 WeakPolarHBondContact O-CB 3.46Å; L191-K194 PolarHBondContact O-N 3.38Å; L191-K194 VanDerWaalsContact O-N 3.11Å; L191-L195 HydrophobicContact CD1-CD1 4.16Å; L191-L195 HydrophobicContact CD1-CD2 4.37Å; L191-L195 HydrophobicContact CD1-CG 3.93Å; L191-L195 HydrophobicContact CD2-CD1 3.99Å; L191-L195 HydrophobicContact CG-CD1 3.69Å; L191-L195 HydrophobicContact CG-CG 3.93Å; L191-L195 PolarHBondContact O-N 3.46Å; L191-Y220 HydrophobicContact CD2-CE1 4.2Å |
| 192 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | -173 | -75 | 170.9 | 0 | 0 | 0 | 113.9 | M40 L184 D188 K194 L195 H196 Y220 L221 A224 F230 | M40-L192 HydrophobicContact CE-CB 4.48Å; M40-L192 HydrophobicContact CE-CD1 3.94Å; L184-L192 HydrophobicContact CD2-CD1 3.69Å; D188-L192 HydrophobicContact CB-CD1 4.02Å; D188-L192 VanDerWaalsContact O-CB 3.29Å; D188-L192 WeakPolarHBondContact O-CB 3.37Å; D188-L192 WeakPolarHBondContact O-CG 3.48Å; D188-L192 PolarHBondContact O-N 2.92Å; L192-K194 VanDerWaalsContact C-N 3.25Å; L192-K194 PolarHBondContact O-N 3.36Å; L192-L195 PolarHBondContact O-N 2.92Å; L192-H196 PolarHBondContact O-N 3.34Å; L192-Y220 HydrophobicContact CD2-CD1 4.1Å; L192-Y220 HydrophobicContact CD2-CE1 3.4Å; L192-Y220 VanDerWaalsContact CD2-CE1 3.4Å; L192-Y220 HydrophobicContact CD2-CE2 4.21Å; L192-Y220 VanDerWaalsContact CD2-CZ 3.48Å; L192-Y220 HydrophobicContact CG-CE1 4.07Å; L192-Y220 WeakPolarHBondContact CG-OH 3.32Å; L192-L221 HydrophobicContact CD2-CD2 4.49Å; L192-A224 HydrophobicContact CD1-CB 3.81Å; L192-A224 HydrophobicContact CD2-CB 3.44Å; L192-A224 VanDerWaalsContact CD2-CB 3.44Å; L192-A224 HydrophobicContact CG-CB 4.27Å; L192-F230 HydrophobicContact CB-CD2 3.86Å; L192-F230 HydrophobicContact CB-CE2 3.56Å; L192-F230 HydrophobicContact CB-CZ 4.18Å; L192-F230 HydrophobicContact CD1-CD2 4.34Å |
| 193 | P | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.4 | -39.2 | 175.7 | -28.5 | 38.1 | 0 | 0 | 0 | 113 | P33 Q36 M40 C189 H196 I197 | P33-P193 HydrophobicContact CB-CB 3.77Å; P33-P193 WeakPolarHBondContact O-CB 3.39Å; Q36-P193 HydrophobicContact CB-CB 3.99Å; Q36-P193 HydrophobicContact CB-CG 3.95Å; Q36-P193 HydrophobicContact CG-CB 4.13Å; Q36-P193 HydrophobicContact CG-CG 3.81Å; M40-P193 HydrophobicContact SD-CG 3.93Å; C189-P193 WeakPolarHBondContact O-CD 3.35Å; C189-P193 WeakPolarHBondContact O-CG 3.36Å; P193-H196 PolarHBondContact O-N 3.34Å; P193-I197 WeakPolarHBondContact O-CG1 3.18Å; P193-I197 PolarHBondContact O-N 2.83Å; P193-I197 VanDerWaalsContact O-N 3.16Å |
| 194 | K | 96.6 | Very high | 96.6 | Very high | 38 Ų | 38 | 19 Ų | 19 | 17% | 0.165 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.8 | -41.1 | 179.7 | -67.6 | 171.1 | -174.2 | 161.1 | 0 | 111.5 | P33 F122 N190 L191 L192 L198 | P33-K194 HydrophobicContact CB-CG 4.06Å; F122-K194 HydrophobicContact CB-CB 4.16Å; F122-K194 HydrophobicContact CB-CD 3.92Å; F122-K194 HydrophobicContact CB-CG 4.21Å; F122-K194 HydrophobicContact CD1-CG 4.45Å; F122-K194 HydrophobicContact CD2-CB 3.54Å; F122-K194 HydrophobicContact CD2-CD 4.44Å; F122-K194 HydrophobicContact CD2-CG 3.81Å; F122-K194 HydrophobicContact CE2-CB 4.15Å; F122-K194 HydrophobicContact CE2-CG 4.25Å; F122-K194 HydrophobicContact CG-CB 4Å; F122-K194 HydrophobicContact CG-CD 4.07Å; F122-K194 HydrophobicContact CG-CG 3.9Å; N190-K194 WeakPolarHBondContact O-CD 3.24Å; N190-K194 WeakPolarHBondContact O-CE 3.32Å; N190-K194 PolarHBondContact OD1-NZ 2.9Å; L191-K194 WeakPolarHBondContact O-CB 3.46Å; L191-K194 PolarHBondContact O-N 3.38Å; L191-K194 VanDerWaalsContact O-N 3.11Å; L192-K194 VanDerWaalsContact C-N 3.25Å; L192-K194 PolarHBondContact O-N 3.36Å; K194-L198 WeakPolarHBondContact O-CB 3.41Å; K194-L198 PolarHBondContact O-N 2.95Å |
| 195 | L | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.4 | -37.2 | 176.1 | -72.5 | 180 | 0 | 0 | 0 | 112.2 | I121 L148 L151 L191 L192 L198 K199 Y220 L221 | I121-L195 HydrophobicContact CD1-CD2 4.28Å; I121-L195 HydrophobicContact CG2-CD2 4.04Å; L148-L195 HydrophobicContact CD2-CD2 4.15Å; L151-L195 HydrophobicContact CD2-CD1 3.91Å; L151-L195 HydrophobicContact CD2-CD2 4.33Å; L191-L195 HydrophobicContact CD1-CD1 4.16Å; L191-L195 HydrophobicContact CD1-CD2 4.37Å; L191-L195 HydrophobicContact CD1-CG 3.93Å; L191-L195 HydrophobicContact CD2-CD1 3.99Å; L191-L195 HydrophobicContact CG-CD1 3.69Å; L191-L195 HydrophobicContact CG-CG 3.93Å; L191-L195 PolarHBondContact O-N 3.46Å; L192-L195 PolarHBondContact O-N 2.92Å; L195-L198 PolarHBondContact O-N 2.94Å; L195-K199 WeakPolarHBondContact O-CB 3.21Å; L195-K199 PolarHBondContact O-N 2.91Å; L195-Y220 HydrophobicContact CD1-CD1 4.11Å; L195-Y220 HydrophobicContact CD1-CE1 3.82Å; L195-L221 HydrophobicContact CB-CD2 4.22Å; L195-L221 HydrophobicContact CD1-CD2 4.47Å |
| 196 | H | 96.5 | Very high | 95.9 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 4% | 0.037 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.1 | -52.8 | 174.1 | -175.4 | 64.3 | 0 | 0 | 0 | 111.4 | L192 P193 L198 K199 V200 Y225 F230 | L192-H196 PolarHBondContact O-N 3.34Å; P193-H196 PolarHBondContact O-N 3.34Å; H196-L198 VanDerWaalsContact C-N 3.32Å; H196-L198 PolarHBondContact O-N 3.36Å; H196-K199 PolarHBondContact O-N 2.68Å; H196-K199 VanDerWaalsContact O-N 3.14Å; H196-V200 WeakPolarHBondContact O-CG2 3.48Å; H196-V200 PolarHBondContact O-N 2.84Å; H196-Y225 AromaticContact ND1-CE1 3.72Å; H196-Y225 AromaticContact ND1-CZ 3.67Å; H196-Y225 PolarHBondContact ND1-OH 3.22Å; H196-F230 HydrophobicContact CB-CE2 4.45Å; H196-F230 HydrophobicContact CB-CZ 3.94Å |
| 197 | I | 95.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.3 | -47.9 | 177.6 | -67.4 | 172.4 | 0 | 0 | 0 | 110.5 | P33 F122 F125 P193 K199 V200 V201 T240 Y244 | P33-I197 HydrophobicContact CB-CD1 3.72Å; P33-I197 HydrophobicContact CG-CD1 3.77Å; F122-I197 HydrophobicContact CE2-CB 4.34Å; F122-I197 HydrophobicContact CE2-CG2 4.14Å; F125-I197 HydrophobicContact CE1-CG2 4.07Å; F125-I197 HydrophobicContact CZ-CG2 4.2Å; P193-I197 WeakPolarHBondContact O-CG1 3.18Å; P193-I197 PolarHBondContact O-N 2.83Å; P193-I197 VanDerWaalsContact O-N 3.16Å; I197-K199 VanDerWaalsContact C-N 3.34Å; I197-K199 PolarHBondContact O-N 3.03Å; I197-V200 PolarHBondContact O-N 3.41Å; I197-V201 HydrophobicContact CG2-CG2 3.97Å; I197-V201 VanDerWaalsContact O-CB 3.25Å; I197-V201 WeakPolarHBondContact O-CB 3.46Å; I197-V201 WeakPolarHBondContact O-CG2 3.36Å; I197-V201 PolarHBondContact O-N 2.9Å; I197-T240 HydrophobicContact CB-CG2 4.39Å; I197-T240 HydrophobicContact CG1-CG2 4.21Å; I197-T240 HydrophobicContact CG2-CG2 4.24Å; I197-Y244 HydrophobicContact CG2-CD2 4.42Å; I197-Y244 HydrophobicContact CG2-CE2 3.52Å |
| 198 | L | 96.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -52.7 | -54.1 | 176.1 | 177.7 | 164.3 | 0 | 0 | 0 | 110.1 | I121 F125 L144 L148 K194 L195 H196 V200 V201 V202 I210 | I121-L198 HydrophobicContact CG2-CD1 3.4Å; I121-L198 VanDerWaalsContact CG2-CD1 3.4Å; F125-L198 HydrophobicContact CB-CD1 3.96Å; F125-L198 HydrophobicContact CB-CG 4.27Å; F125-L198 HydrophobicContact CD2-CB 4.2Å; F125-L198 HydrophobicContact CD2-CG 3.96Å; F125-L198 HydrophobicContact CG-CB 4.22Å; F125-L198 HydrophobicContact CG-CD1 4.36Å; F125-L198 HydrophobicContact CG-CG 4.15Å; L144-L198 HydrophobicContact CD1-CD1 3.92Å; L148-L198 HydrophobicContact CD2-CD1 4.41Å; K194-L198 WeakPolarHBondContact O-CB 3.41Å; K194-L198 PolarHBondContact O-N 2.95Å; L195-L198 PolarHBondContact O-N 2.94Å; H196-L198 VanDerWaalsContact C-N 3.32Å; H196-L198 PolarHBondContact O-N 3.36Å; L198-V200 PolarHBondContact O-N 3.14Å; L198-V201 PolarHBondContact O-N 3.12Å; L198-V202 HydrophobicContact CD2-CG2 4.01Å; L198-V202 HydrophobicContact CG-CG1 4.38Å; L198-V202 WeakPolarHBondContact O-CG1 3.45Å; L198-V202 WeakPolarHBondContact O-CG2 3.1Å; L198-V202 PolarHBondContact O-N 3.32Å; L198-I210 HydrophobicContact CD2-CG1 4.5Å |
| 199 | K | 95.6 | Very high | 95.1 | Very high | 33 Ų | 33 | 28.8 Ų | 28.8 | 14% | 0.143 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58 | -48 | -176.3 | 179.6 | 176.5 | 173.4 | 59.1 | 0 | 112.3 | L195 H196 I197 K203 D209 W218 | L195-K199 WeakPolarHBondContact O-CB 3.21Å; L195-K199 PolarHBondContact O-N 2.91Å; H196-K199 PolarHBondContact O-N 2.68Å; H196-K199 VanDerWaalsContact O-N 3.14Å; I197-K199 VanDerWaalsContact C-N 3.34Å; I197-K199 PolarHBondContact O-N 3.03Å; K199-K203 WeakPolarHBondContact O-CB 3.39Å; K199-K203 PolarHBondContact O-N 3.1Å; K199-D209 IonicContact NZ-OD1 2.88Å; K199-D209 PolarHBondContact NZ-OD1 3.43Å; K199-D209 IonicContact NZ-OD2 3.48Å; K199-W218 VanDerWaalsContact NZ-CH2 3.28Å |
| 200 | V | 95.3 | Very high | 95 | Very high | 14 Ų | 14 | 29 Ų | 29 | 9% | 0.085 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.3 | -48.7 | -178.8 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | H196 I197 L198 K204 E237 T240 E241 | H196-V200 WeakPolarHBondContact O-CG2 3.48Å; H196-V200 PolarHBondContact O-N 2.84Å; I197-V200 PolarHBondContact O-N 3.41Å; L198-V200 PolarHBondContact O-N 3.14Å; V200-K204 WeakPolarHBondContact O-CB 3.47Å; V200-K204 PolarHBondContact O-N 3.46Å; V200-E237 HydrophobicContact CG1-CB 4.36Å; V200-E237 HydrophobicContact CG2-CG 4.28Å; V200-T240 HydrophobicContact CB-CG2 4.04Å; V200-T240 HydrophobicContact CG1-CG2 3.92Å; V200-E241 HydrophobicContact CG1-CG 3.97Å |
| 201 | V | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -72.2 | -45.2 | -171.9 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | F125 I129 I197 L198 K203 K204 Y205 T240 Y244 | F125-V201 HydrophobicContact CE2-CB 4.01Å; F125-V201 HydrophobicContact CE2-CG1 3.93Å; F125-V201 HydrophobicContact CZ-CB 3.82Å; F125-V201 HydrophobicContact CZ-CG1 3.77Å; F125-V201 HydrophobicContact CZ-CG2 4.32Å; I129-V201 HydrophobicContact CD1-CG1 3.79Å; I129-V201 HydrophobicContact CG1-CG1 3.71Å; I197-V201 HydrophobicContact CG2-CG2 3.97Å; I197-V201 VanDerWaalsContact O-CB 3.25Å; I197-V201 WeakPolarHBondContact O-CB 3.46Å; I197-V201 WeakPolarHBondContact O-CG2 3.36Å; I197-V201 PolarHBondContact O-N 2.9Å; L198-V201 PolarHBondContact O-N 3.12Å; V201-K203 VanDerWaalsContact C-N 3.32Å; V201-K203 PolarHBondContact O-N 3.28Å; V201-K204 PolarHBondContact O-N 3.45Å; V201-Y205 HydrophobicContact CG1-CD2 3.8Å; V201-Y205 HydrophobicContact CG1-CE2 4.36Å; V201-Y205 WeakPolarHBondContact O-CD2 3.33Å; V201-Y205 PolarHBondContact O-N 3.37Å; V201-T240 HydrophobicContact CG2-CG2 3.74Å; V201-Y244 HydrophobicContact CB-CG 4.47Å; V201-Y244 HydrophobicContact CG1-CD1 3.85Å; V201-Y244 HydrophobicContact CG1-CD2 4.48Å; V201-Y244 HydrophobicContact CG1-CG 3.8Å; V201-Y244 HydrophobicContact CG2-CD1 4.35Å; V201-Y244 HydrophobicContact CG2-CD2 3.61Å; V201-Y244 HydrophobicContact CG2-CE2 4.08Å; V201-Y244 HydrophobicContact CG2-CG 3.75Å |
| 202 | V | 93.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.7 | -37.1 | -179.5 | -61 | 0 | 0 | 0 | 0 | 111.6 | F125 Y128 L144 L198 R206 G207 L208 | F125-V202 HydrophobicContact CD2-CG1 3.57Å; F125-V202 HydrophobicContact CE2-CG1 3.58Å; Y128-V202 HydrophobicContact CD1-CG1 4.42Å; Y128-V202 HydrophobicContact CE1-CG1 4.43Å; L144-V202 HydrophobicContact CD2-CG1 4.5Å; L198-V202 HydrophobicContact CD2-CG2 4.01Å; L198-V202 HydrophobicContact CG-CG1 4.38Å; L198-V202 WeakPolarHBondContact O-CG1 3.45Å; L198-V202 WeakPolarHBondContact O-CG2 3.1Å; L198-V202 PolarHBondContact O-N 3.32Å; V202-R206 CarbonylContact O-C 3.51Å; V202-R206 WeakPolarHBondContact O-CA 3.31Å; V202-R206 WeakPolarHBondContact O-CB 3.5Å; V202-R206 PolarHBondContact O-N 3.35Å; V202-G207 PolarHBondContact O-N 3.32Å; V202-G207 VanDerWaalsContact O-N 3.1Å; V202-L208 CarbonylContact C-O 3.47Å; V202-L208 HydrophobicContact CB-CB 4.4Å; V202-L208 WeakPolarHBondContact CG2-O 3.48Å; V202-L208 PolarHBondContact O-N 3.44Å |
| 203 | K | 94.1 | Very high | 94.8 | Very high | 116 Ų | 116 | 37.3 Ų | 37.3 | 50% | 0.504 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.9 | -47.6 | 174.5 | -176 | 168.1 | -174.6 | 157.1 | 0 | 111.4 | K199 V201 G207 L208 D209 | K199-K203 WeakPolarHBondContact O-CB 3.39Å; K199-K203 PolarHBondContact O-N 3.1Å; V201-K203 VanDerWaalsContact C-N 3.32Å; V201-K203 PolarHBondContact O-N 3.28Å; K203-G207 WeakPolarHBondContact O-CA 3.46Å; K203-G207 PolarHBondContact O-N 3.08Å; K203-L208 VanDerWaalsContact CA-O 3.23Å; K203-L208 WeakPolarHBondContact CA-O 3.47Å; K203-L208 PolarHBondContact N-O 3.32Å; K203-D209 IonicContact NZ-OD2 3.95Å; K203-D209 PolarHBondContact NZ-OD2 3.48Å |
| 204 | K | 94 | Very high | 94.8 | Very high | 110 Ų | 110 | 37.4 Ų | 37.4 | 48% | 0.478 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.8 | -45.8 | -178.3 | -178.6 | 55 | 163.8 | -113.5 | 0 | 113.3 | V200 V201 E241 | V200-K204 WeakPolarHBondContact O-CB 3.47Å; V200-K204 PolarHBondContact O-N 3.46Å; V201-K204 PolarHBondContact O-N 3.45Å; K204-E241 HydrophobicContact CB-CG 4.29Å; K204-E241 WeakPolarHBondContact CD-OE1 3.4Å; K204-E241 HydrophobicContact CG-CG 3.98Å; K204-E241 WeakPolarHBondContact CG-OE1 3.29Å; K204-E241 IonicContact NZ-OE1 2.71Å; K204-E241 PolarHBondContact NZ-OE1 3.06Å; K204-E241 IonicContact NZ-OE2 3.34Å; K204-E241 PolarHBondContact NZ-OE2 2.96Å |
| 205 | Y | 92.1 | Very high | 94.9 | Very high | 45 Ų | 45 | 38.8 Ų | 38.8 | 18% | 0.176 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -105.6 | -14.5 | -166.4 | -68.1 | -69.8 | 0 | 0 | 0 | 115.3 | V201 E241 L245 A248 | V201-Y205 HydrophobicContact CG1-CD2 3.8Å; V201-Y205 HydrophobicContact CG1-CE2 4.36Å; V201-Y205 WeakPolarHBondContact O-CD2 3.33Å; V201-Y205 PolarHBondContact O-N 3.37Å; Y205-E241 PolarHBondContact OH-O 2.72Å; Y205-L245 HydrophobicContact CE1-CD1 4.17Å; Y205-L245 WeakPolarHBondContact OH-CA 2.97Å; Y205-L245 WeakPolarHBondContact OH-CD1 3.15Å; Y205-A248 HydrophobicContact CD1-CB 3.61Å; Y205-A248 HydrophobicContact CD2-CB 3.81Å; Y205-A248 HydrophobicContact CE1-CB 4.13Å; Y205-A248 HydrophobicContact CE2-CB 4.29Å; Y205-A248 HydrophobicContact CG-CB 3.43Å; Y205-A248 VanDerWaalsContact CG-CB 3.43Å |
| 206 | R | 90.3 | Very high | 94.9 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 17% | 0.166 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -127.8 | -6 | 179.6 | -60.6 | -66.8 | 178.3 | -102.1 | 3.2 | 113.1 | Y128 I129 V202 L208 A248 | Y128-R206 HydrophobicContact CE1-CB 4.15Å; Y128-R206 HydrophobicContact CE1-CG 3.85Å; I129-R206 HydrophobicContact CD1-CG 4.03Å; I129-R206 PolarHBondContact O-NH2 3.38Å; I129-R206 VanDerWaalsContact O-NH2 3.12Å; V202-R206 CarbonylContact O-C 3.51Å; V202-R206 WeakPolarHBondContact O-CA 3.31Å; V202-R206 WeakPolarHBondContact O-CB 3.5Å; V202-R206 PolarHBondContact O-N 3.35Å; R206-L208 HydrophobicContact CB-CB 4.47Å; R206-L208 PolarHBondContact O-N 3.14Å; R206-L208 VanDerWaalsContact O-N 3.12Å; R206-A248 PolarHBondContact NH1-O 3.35Å; R206-A248 PolarHBondContact NH2-O 3.04Å |
| 207 | G | 90.1 | Very high | 95 | Very high | 68 Ų | 68 | 38.4 Ų | 38.4 | 70% | 0.701 | 22% | 0.215 | S | C | * | . | trans | 65.3 | 10 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V202 K203 | V202-G207 PolarHBondContact O-N 3.32Å; V202-G207 VanDerWaalsContact O-N 3.1Å; K203-G207 WeakPolarHBondContact O-CA 3.46Å; K203-G207 PolarHBondContact O-N 3.08Å | ||
| 208 | L | 91.6 | Very high | 95.1 | Very high | 30 Ų | 30 | 41.8 Ų | 41.8 | 16% | 0.157 | 23% | 0.228 | C | C | . | . | trans | -84.5 | 133.2 | 177.2 | -177.6 | 68.5 | 0 | 0 | 0 | 108.5 | Y128 E141 V202 K203 R206 | Y128-L208 HydrophobicContact CE1-CD2 4.03Å; E141-L208 HydrophobicContact CG-CD2 4.12Å; V202-L208 CarbonylContact C-O 3.47Å; V202-L208 HydrophobicContact CB-CB 4.4Å; V202-L208 WeakPolarHBondContact CG2-O 3.48Å; V202-L208 PolarHBondContact O-N 3.44Å; K203-L208 VanDerWaalsContact CA-O 3.23Å; K203-L208 WeakPolarHBondContact CA-O 3.47Å; K203-L208 PolarHBondContact N-O 3.32Å; R206-L208 HydrophobicContact CB-CB 4.47Å; R206-L208 PolarHBondContact O-N 3.14Å; R206-L208 VanDerWaalsContact O-N 3.12Å | ||
| 209 | D | 94.1 | Very high | 95.2 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 28% | 0.278 | 24% | 0.238 | S | C | . | . | trans | -113.9 | 165 | 165.6 | -144.6 | -29 | 0 | 0 | 0 | 108.7 | K199 K203 P211 | K199-D209 IonicContact NZ-OD1 2.88Å; K199-D209 PolarHBondContact NZ-OD1 3.43Å; K199-D209 IonicContact NZ-OD2 3.48Å; K203-D209 IonicContact NZ-OD2 3.95Å; K203-D209 PolarHBondContact NZ-OD2 3.48Å; D209-P211 WeakPolarHBondContact O-CD 3.24Å | ||
| 210 | I | 95.2 | Very high | 95.4 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | trans | -64 | 125.4 | 173.1 | -61.7 | 173.8 | 0 | 0 | 0 | 107.3 | L198 A212 M214 V217 W218 L221 | L198-I210 HydrophobicContact CD2-CG1 4.5Å; I210-A212 PolarHBondContact O-N 3.26Å; I210-M214 HydrophobicContact CG2-CB 4.27Å; I210-M214 HydrophobicContact CG2-SD 4.03Å; I210-V217 HydrophobicContact CD1-CG1 4.12Å; I210-V217 HydrophobicContact CG2-CG1 4.08Å; I210-W218 HydrophobicContact CB-CZ2 3.98Å; I210-W218 VanDerWaalsContact O-CZ2 3.24Å; I210-W218 WeakPolarHBondContact O-CZ2 3.47Å; I210-W218 PolarHBondContact O-NE1 3.21Å; I210-L221 HydrophobicContact CD1-CD1 3.61Å | ||
| 211 | P | 96.9 | Very high | 95.5 | Very high | 24 Ų | 24 | 42.5 Ų | 42.5 | 16% | 0.156 | 23% | 0.228 | C | C | . | . | trans | -55.3 | 138 | -177 | -26.5 | 34.4 | 0 | 0 | 0 | 112.4 | L145 D209 E213 M214 W218 | L145-P211 HydrophobicContact CD2-CG 3.77Å; D209-P211 WeakPolarHBondContact O-CD 3.24Å; P211-E213 HydrophobicContact CB-CG 4.35Å; P211-E213 VanDerWaalsContact CB-OE1 3.24Å; P211-E213 WeakPolarHBondContact CB-OE1 3.34Å; P211-E213 WeakPolarHBondContact CB-OE2 3.19Å; P211-E213 PolarHBondContact O-N 3Å; P211-M214 HydrophobicContact CB-CE 4.42Å; P211-M214 HydrophobicContact CB-CG 4.44Å; P211-M214 HydrophobicContact CG-CE 3.93Å; P211-M214 HydrophobicContact CG-SD 4.36Å; P211-M214 WeakPolarHBondContact O-CB 3.06Å; P211-M214 PolarHBondContact O-N 2.7Å; P211-M214 VanDerWaalsContact O-N 3.09Å; P211-W218 PolarHBondContact O-NE1 2.83Å | ||
| 212 | A | 96.4 | Very high | 95.6 | Very high | 83 Ų | 83 | 46.3 Ų | 46.3 | 69% | 0.686 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I210 M214 | I210-A212 PolarHBondContact O-N 3.26Å; A212-M214 PolarHBondContact O-N 2.79Å |
| 213 | E | 96.9 | Very high | 95.9 | Very high | 108 Ų | 108 | 47.6 Ų | 47.6 | 51% | 0.505 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -14.1 | 175.7 | 70.5 | -88.5 | -160.2 | 0 | 0 | 114 | R149 P211 T215 | R149-E213 IonicContact NH2-OE1 3.51Å; R149-E213 PolarHBondContact NH2-OE1 3.04Å; P211-E213 HydrophobicContact CB-CG 4.35Å; P211-E213 VanDerWaalsContact CB-OE1 3.24Å; P211-E213 WeakPolarHBondContact CB-OE1 3.34Å; P211-E213 WeakPolarHBondContact CB-OE2 3.19Å; P211-E213 PolarHBondContact O-N 3Å; E213-T215 PolarHBondContact O-N 3.31Å |
| 214 | M | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | trans | -80.8 | 66.3 | 175.1 | -62.6 | -177.6 | -177.8 | 0 | 0 | 110.5 | L145 L148 R149 D152 I210 P211 A212 G216 V217 W218 | L145-M214 HydrophobicContact CD2-CE 4.45Å; L148-M214 HydrophobicContact CB-CE 4.11Å; L148-M214 HydrophobicContact CB-SD 3.79Å; R149-M214 HydrophobicContact CB-CE 4.05Å; D152-M214 HydrophobicContact CB-CB 4.13Å; D152-M214 HydrophobicContact CB-CG 4.31Å; D152-M214 VanDerWaalsContact CG-CA 3.48Å; D152-M214 VanDerWaalsContact OD1-CA 3.23Å; D152-M214 WeakPolarHBondContact OD1-CA 3.42Å; I210-M214 HydrophobicContact CG2-CB 4.27Å; I210-M214 HydrophobicContact CG2-SD 4.03Å; P211-M214 HydrophobicContact CB-CE 4.42Å; P211-M214 HydrophobicContact CB-CG 4.44Å; P211-M214 HydrophobicContact CG-CE 3.93Å; P211-M214 HydrophobicContact CG-SD 4.36Å; P211-M214 WeakPolarHBondContact O-CB 3.06Å; P211-M214 PolarHBondContact O-N 2.7Å; P211-M214 VanDerWaalsContact O-N 3.09Å; A212-M214 PolarHBondContact O-N 2.79Å; M214-G216 VanDerWaalsContact C-N 3.32Å; M214-G216 PolarHBondContact O-N 3.42Å; M214-V217 HydrophobicContact CB-CB 4.27Å; M214-V217 HydrophobicContact CB-CG2 4.47Å; M214-V217 PolarHBondContact O-N 3.23Å; M214-W218 PolarHBondContact O-N 3.23Å | ||
| 215 | T | 97.9 | Very high | 96.2 | Very high | 68 Ų | 68 | 40.7 Ų | 40.7 | 42% | 0.417 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.4 | -32.1 | -170.9 | 56 | 0 | 0 | 0 | 0 | 113.4 | D152 E213 R219 | D152-T215 PolarHBondContact OD1-N 2.86Å; E213-T215 PolarHBondContact O-N 3.31Å; T215-R219 WeakPolarHBondContact O-CB 3.19Å; T215-R219 PolarHBondContact O-N 3.48Å |
| 216 | G | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.7 | -46.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D152 M214 W218 R219 Y220 | D152-G216 VanDerWaalsContact OD1-CA 3.24Å; D152-G216 WeakPolarHBondContact OD1-CA 3.19Å; D152-G216 PolarHBondContact OD1-N 2.87Å; M214-G216 VanDerWaalsContact C-N 3.32Å; M214-G216 PolarHBondContact O-N 3.42Å; G216-W218 PolarHBondContact O-N 2.92Å; G216-R219 PolarHBondContact O-N 3.45Å; G216-Y220 WeakPolarHBondContact O-CB 3.42Å; G216-Y220 PolarHBondContact O-N 2.77Å |
| 217 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 175.5 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | L151 D152 L155 I210 M214 Y220 L221 | L151-V217 HydrophobicContact CB-CG2 4.5Å; L151-V217 HydrophobicContact CD2-CG2 4.19Å; L151-V217 HydrophobicContact CG-CG2 4.14Å; D152-V217 HydrophobicContact CB-CG2 3.82Å; D152-V217 PolarHBondContact OD1-N 3.48Å; L155-V217 HydrophobicContact CD1-CG2 4.14Å; I210-V217 HydrophobicContact CD1-CG1 4.12Å; I210-V217 HydrophobicContact CG2-CG1 4.08Å; M214-V217 HydrophobicContact CB-CB 4.27Å; M214-V217 HydrophobicContact CB-CG2 4.47Å; M214-V217 PolarHBondContact O-N 3.23Å; V217-Y220 PolarHBondContact O-N 3.33Å; V217-L221 HydrophobicContact CG1-CD1 4.06Å; V217-L221 HydrophobicContact CG1-CG 4.43Å; V217-L221 WeakPolarHBondContact O-CG 3.48Å; V217-L221 PolarHBondContact O-N 2.87Å |
| 218 | W | 98.1 | Very high | 97 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 28% | 0.277 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 177.3 | -80.4 | 114.2 | 0 | 0 | 0 | 112.7 | K199 I210 P211 M214 G216 T222 | K199-W218 VanDerWaalsContact NZ-CH2 3.28Å; I210-W218 HydrophobicContact CB-CZ2 3.98Å; I210-W218 VanDerWaalsContact O-CZ2 3.24Å; I210-W218 WeakPolarHBondContact O-CZ2 3.47Å; I210-W218 PolarHBondContact O-NE1 3.21Å; P211-W218 PolarHBondContact O-NE1 2.83Å; M214-W218 PolarHBondContact O-N 3.23Å; G216-W218 PolarHBondContact O-N 2.92Å; W218-T222 VanDerWaalsContact O-CB 3.31Å; W218-T222 WeakPolarHBondContact O-CB 3.22Å; W218-T222 PolarHBondContact O-N 3.29Å; W218-T222 PolarHBondContact O-OG1 3.32Å |
| 219 | R | 98.3 | Very high | 97.2 | Very high | 62 Ų | 62 | 48.5 Ų | 48.5 | 23% | 0.234 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.4 | -50.1 | 172.4 | -177.3 | 178.3 | 69.5 | -126.1 | 0.7 | 110.5 | L155 S174 R176 T215 G216 L221 T222 C223 | L155-R219 PolarHBondContact O-NH2 2.88Å; S174-R219 VanDerWaalsContact O-CZ 3.27Å; S174-R219 PolarHBondContact O-NH1 3.48Å; S174-R219 PolarHBondContact O-NH2 3.45Å; R176-R219 PolarHBondContact O-NE 2.66Å; R176-R219 PolarHBondContact O-NH2 3.17Å; T215-R219 WeakPolarHBondContact O-CB 3.19Å; T215-R219 PolarHBondContact O-N 3.48Å; G216-R219 PolarHBondContact O-N 3.45Å; R219-L221 PolarHBondContact O-N 3.07Å; R219-T222 PolarHBondContact O-N 2.98Å; R219-C223 PolarHBondContact O-N 2.93Å; R219-C223 PolarHBondContact O-SG 3.46Å; R219-C223 VanDerWaalsContact O-SG 3.34Å |
| 220 | Y | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.5 | -50.5 | 179.1 | 177.7 | -123.8 | 0 | 0 | 0 | 112.9 | L155 S177 F178 L179 D188 L191 L192 L195 G216 V217 T222 C223 A224 | L155-Y220 HydrophobicContact CD1-CD1 4.24Å; L155-Y220 HydrophobicContact CD1-CG 4.07Å; L155-Y220 HydrophobicContact CD2-CD2 4.28Å; L155-Y220 HydrophobicContact CD2-CG 4.24Å; S177-Y220 WeakPolarHBondContact O-CD2 3.34Å; F178-Y220 HydrophobicContact CB-CE2 4.13Å; F178-Y220 HydrophobicContact CD1-CD2 4.06Å; F178-Y220 AromaticContact CD1-CE2 3.79Å; F178-Y220 HydrophobicContact CD1-CE2 3.79Å; F178-Y220 HydrophobicContact CG-CE2 4.46Å; L179-Y220 HydrophobicContact CG-CE2 4.22Å; D188-Y220 WeakPolarHBondContact CA-OH 3.26Å; D188-Y220 WeakPolarHBondContact OD1-CE2 3.22Å; D188-Y220 PolarHBondContact OD1-OH 3.06Å; L191-Y220 HydrophobicContact CD2-CE1 4.2Å; L192-Y220 HydrophobicContact CD2-CD1 4.1Å; L192-Y220 HydrophobicContact CD2-CE1 3.4Å; L192-Y220 VanDerWaalsContact CD2-CE1 3.4Å; L192-Y220 HydrophobicContact CD2-CE2 4.21Å; L192-Y220 VanDerWaalsContact CD2-CZ 3.48Å; L192-Y220 HydrophobicContact CG-CE1 4.07Å; L192-Y220 WeakPolarHBondContact CG-OH 3.32Å; L195-Y220 HydrophobicContact CD1-CD1 4.11Å; L195-Y220 HydrophobicContact CD1-CE1 3.82Å; G216-Y220 WeakPolarHBondContact O-CB 3.42Å; G216-Y220 PolarHBondContact O-N 2.77Å; V217-Y220 PolarHBondContact O-N 3.33Å; Y220-T222 PolarHBondContact O-N 3.34Å; Y220-C223 PolarHBondContact O-N 2.87Å; Y220-A224 WeakPolarHBondContact O-CB 3.43Å; Y220-A224 PolarHBondContact O-N 3.45Å |
| 221 | L | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 177.5 | -72.6 | 175 | 0 | 0 | 0 | 111.7 | L192 L195 I210 V217 R219 A224 Y225 | L192-L221 HydrophobicContact CD2-CD2 4.49Å; L195-L221 HydrophobicContact CB-CD2 4.22Å; L195-L221 HydrophobicContact CD1-CD2 4.47Å; I210-L221 HydrophobicContact CD1-CD1 3.61Å; V217-L221 HydrophobicContact CG1-CD1 4.06Å; V217-L221 HydrophobicContact CG1-CG 4.43Å; V217-L221 WeakPolarHBondContact O-CG 3.48Å; V217-L221 PolarHBondContact O-N 2.87Å; R219-L221 PolarHBondContact O-N 3.07Å; L221-A224 PolarHBondContact O-N 3.09Å; L221-Y225 HydrophobicContact CB-CD2 4.39Å; L221-Y225 HydrophobicContact CB-CE2 4.2Å; L221-Y225 HydrophobicContact CD2-CE2 4.43Å; L221-Y225 WeakPolarHBondContact O-CD2 3.24Å; L221-Y225 PolarHBondContact O-N 2.92Å |
| 222 | T | 97.9 | Very high | 97.1 | Very high | 79 Ų | 79 | 50 Ų | 50 | 49% | 0.485 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 178.1 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | W218 R219 Y220 A224 Y225 L226 | W218-T222 VanDerWaalsContact O-CB 3.31Å; W218-T222 WeakPolarHBondContact O-CB 3.22Å; W218-T222 PolarHBondContact O-N 3.29Å; W218-T222 PolarHBondContact O-OG1 3.32Å; R219-T222 PolarHBondContact O-N 2.98Å; Y220-T222 PolarHBondContact O-N 3.34Å; T222-A224 VanDerWaalsContact C-N 3.32Å; T222-A224 PolarHBondContact O-N 3.35Å; T222-Y225 PolarHBondContact O-N 3.05Å; T222-L226 WeakPolarHBondContact O-CG 2.9Å; T222-L226 PolarHBondContact O-N 2.71Å |
| 223 | C | 98.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 46 Ų | 46 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -42.7 | 174.4 | -69.5 | 0 | 0 | 0 | 0 | 111.7 | F178 R219 Y220 L226 | F178-C223 HydrophobicContact CE1-CB 3.91Å; F178-C223 HydrophobicContact CZ-CB 4.14Å; R219-C223 PolarHBondContact O-N 2.93Å; R219-C223 PolarHBondContact O-SG 3.46Å; R219-C223 VanDerWaalsContact O-SG 3.34Å; Y220-C223 PolarHBondContact O-N 2.87Å; C223-L226 PolarHBondContact O-N 2.76Å |
| 224 | A | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | F178 L192 Y220 L221 T222 L226 R227 F230 | F178-A224 HydrophobicContact CE1-CB 4.44Å; L192-A224 HydrophobicContact CD1-CB 3.81Å; L192-A224 HydrophobicContact CD2-CB 3.44Å; L192-A224 VanDerWaalsContact CD2-CB 3.44Å; L192-A224 HydrophobicContact CG-CB 4.27Å; Y220-A224 WeakPolarHBondContact O-CB 3.43Å; Y220-A224 PolarHBondContact O-N 3.45Å; L221-A224 PolarHBondContact O-N 3.09Å; T222-A224 VanDerWaalsContact C-N 3.32Å; T222-A224 PolarHBondContact O-N 3.35Å; A224-L226 PolarHBondContact O-N 2.73Å; A224-R227 WeakPolarHBondContact O-CB 3.32Å; A224-R227 PolarHBondContact O-N 2.79Å; A224-F230 HydrophobicContact CB-CD1 3.95Å; A224-F230 HydrophobicContact CB-CE1 4.18Å; A224-F230 HydrophobicContact CB-CG 4.43Å; A224-F230 WeakPolarHBondContact O-CD1 3.47Å |
| 225 | Y | 97 | Very high | 96.3 | Very high | 80 Ų | 80 | 42.4 Ų | 42.4 | 31% | 0.314 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.2 | -11 | 177.1 | -73.7 | -66.2 | 0 | 0 | 0 | 113.9 | H196 L221 T222 F230 T231 | H196-Y225 AromaticContact ND1-CE1 3.72Å; H196-Y225 AromaticContact ND1-CZ 3.67Å; H196-Y225 PolarHBondContact ND1-OH 3.22Å; L221-Y225 HydrophobicContact CB-CD2 4.39Å; L221-Y225 HydrophobicContact CB-CE2 4.2Å; L221-Y225 HydrophobicContact CD2-CE2 4.43Å; L221-Y225 WeakPolarHBondContact O-CD2 3.24Å; L221-Y225 PolarHBondContact O-N 2.92Å; T222-Y225 PolarHBondContact O-N 3.05Å; Y225-F230 HydrophobicContact CD1-CD1 4.16Å; Y225-F230 AromaticContact CD1-CE1 3.7Å; Y225-F230 HydrophobicContact CD1-CE1 3.7Å; Y225-F230 HydrophobicContact CE1-CD1 4.44Å; Y225-F230 AromaticContact CE1-CE1 3.58Å; Y225-F230 HydrophobicContact CE1-CE1 3.58Å; Y225-F230 HydrophobicContact CE1-CZ 4.35Å; Y225-F230 HydrophobicContact CG-CE1 4.24Å; Y225-T231 HydrophobicContact CD1-CG2 4.38Å; Y225-T231 WeakPolarHBondContact O-CG2 3.44Å |
| 226 | L | 97.1 | Very high | 96 | Very high | 142 Ų | 142 | 41.6 Ų | 41.6 | 74% | 0.743 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -12 | 170.3 | -65.1 | 171.5 | 0 | 0 | 0 | 112.7 | T222 C223 A224 | T222-L226 WeakPolarHBondContact O-CG 2.9Å; T222-L226 PolarHBondContact O-N 2.71Å; C223-L226 PolarHBondContact O-N 2.76Å; A224-L226 PolarHBondContact O-N 2.73Å |
| 227 | R | 97.2 | Very high | 95.6 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 23% | 0.226 | 24% | 0.242 | C | C | . | . | trans | -92.3 | 122.4 | -179.4 | -63 | -62.3 | -70.8 | -116.6 | 0.5 | 110.5 | F178 E183 L184 A224 E229 F230 T231 | F178-R227 HydrophobicContact CE1-CG 4.34Å; F178-R227 HydrophobicContact CZ-CG 3.66Å; E183-R227 IonicContact OE2-CZ 2.87Å; E183-R227 IonicContact OE2-NH1 3.02Å; E183-R227 PolarHBondContact OE2-NH1 2.9Å; E183-R227 IonicContact OE2-NH2 3.21Å; E183-R227 PolarHBondContact OE2-NH2 2.91Å; E183-R227 VanDerWaalsContact OE2-NH2 3.09Å; L184-R227 HydrophobicContact CD1-CB 4.07Å; L184-R227 HydrophobicContact CD1-CG 4.04Å; A224-R227 WeakPolarHBondContact O-CB 3.32Å; A224-R227 PolarHBondContact O-N 2.79Å; R227-E229 WeakPolarHBondContact CB-OE2 3.14Å; R227-E229 IonicContact NE-OE2 3.09Å; R227-E229 PolarHBondContact NE-OE2 3.36Å; R227-E229 PolarHBondContact O-N 2.78Å; R227-F230 PolarHBondContact O-N 2.69Å; R227-F230 VanDerWaalsContact O-N 3.09Å; R227-T231 PolarHBondContact O-N 3.29Å; R227-T231 PolarHBondContact O-OG1 3.29Å | ||
| 228 | K | 95.3 | Very high | 95.3 | Very high | 125 Ų | 125 | 55 Ų | 55 | 54% | 0.543 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.5 | -36 | 176.8 | 67.5 | 178.9 | -177.5 | 177.1 | 0 | 111.7 | F230 T231 S232 | K228-F230 PolarHBondContact O-N 3.13Å; K228-T231 PolarHBondContact O-N 3.14Å; K228-S232 WeakPolarHBondContact O-CB 3.3Å; K228-S232 PolarHBondContact O-N 3.11Å; K228-S232 PolarHBondContact O-OG 3.4Å |
| 229 | E | 95.2 | Very high | 94.9 | Very high | 24 Ų | 24 | 52 Ų | 52 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -30.3 | -177.6 | -60.1 | 80.4 | -168.3 | 0 | 0 | 111.5 | M40 L43 L44 L184 R227 T233 | M40-E229 WeakPolarHBondContact CG-O 3.5Å; L43-E229 HydrophobicContact CB-CB 4.31Å; L43-E229 HydrophobicContact CB-CG 4.11Å; L44-E229 HydrophobicContact CD2-CB 4.24Å; L44-E229 HydrophobicContact CD2-CG 3.82Å; L44-E229 HydrophobicContact CG-CB 4.28Å; L44-E229 HydrophobicContact CG-CG 4.13Å; L184-E229 HydrophobicContact CD1-CB 4.43Å; R227-E229 WeakPolarHBondContact CB-OE2 3.14Å; R227-E229 IonicContact NE-OE2 3.09Å; R227-E229 PolarHBondContact NE-OE2 3.36Å; R227-E229 PolarHBondContact O-N 2.78Å; E229-T233 WeakPolarHBondContact O-CG2 3.48Å; E229-T233 PolarHBondContact O-OG1 3.32Å |
| 230 | F | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -89.6 | -49.4 | 174.8 | 178.6 | -117.1 | 0 | 0 | 0 | 112.3 | M40 L192 H196 A224 Y225 R227 K228 S232 T233 C234 | M40-F230 HydrophobicContact CE-CB 3.98Å; M40-F230 HydrophobicContact CE-CD2 3.86Å; M40-F230 HydrophobicContact CE-CG 4.37Å; M40-F230 HydrophobicContact SD-CD2 3.84Å; L192-F230 HydrophobicContact CB-CD2 3.86Å; L192-F230 HydrophobicContact CB-CE2 3.56Å; L192-F230 HydrophobicContact CB-CZ 4.18Å; L192-F230 HydrophobicContact CD1-CD2 4.34Å; H196-F230 HydrophobicContact CB-CE2 4.45Å; H196-F230 HydrophobicContact CB-CZ 3.94Å; A224-F230 HydrophobicContact CB-CD1 3.95Å; A224-F230 HydrophobicContact CB-CE1 4.18Å; A224-F230 HydrophobicContact CB-CG 4.43Å; A224-F230 WeakPolarHBondContact O-CD1 3.47Å; Y225-F230 HydrophobicContact CD1-CD1 4.16Å; Y225-F230 AromaticContact CD1-CE1 3.7Å; Y225-F230 HydrophobicContact CD1-CE1 3.7Å; Y225-F230 HydrophobicContact CE1-CD1 4.44Å; Y225-F230 AromaticContact CE1-CE1 3.58Å; Y225-F230 HydrophobicContact CE1-CE1 3.58Å; Y225-F230 HydrophobicContact CE1-CZ 4.35Å; Y225-F230 HydrophobicContact CG-CE1 4.24Å; R227-F230 PolarHBondContact O-N 2.69Å; R227-F230 VanDerWaalsContact O-N 3.09Å; K228-F230 PolarHBondContact O-N 3.13Å; F230-S232 PolarHBondContact O-N 3.2Å; F230-T233 PolarHBondContact O-N 2.9Å; F230-T233 PolarHBondContact O-OG1 2.97Å; F230-C234 PolarHBondContact O-N 3.03Å; F230-C234 PolarHBondContact O-SG 2.85Å |
| 231 | T | 94.8 | Very high | 94.3 | Very high | 63 Ų | 63 | 51.1 Ų | 51.1 | 39% | 0.387 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68 | -36.5 | -173.7 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | Y225 R227 K228 T233 | Y225-T231 HydrophobicContact CD1-CG2 4.38Å; Y225-T231 WeakPolarHBondContact O-CG2 3.44Å; R227-T231 PolarHBondContact O-N 3.29Å; R227-T231 PolarHBondContact O-OG1 3.29Å; K228-T231 PolarHBondContact O-N 3.14Å; T231-T233 PolarHBondContact O-N 2.51Å |
| 232 | S | 92.2 | Very high | 93.9 | Very high | 49 Ų | 49 | 56.9 Ų | 56.9 | 34% | 0.343 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -13.7 | 179.5 | 74.2 | 0 | 0 | 0 | 0 | 113.2 | K228 F230 | K228-S232 WeakPolarHBondContact O-CB 3.3Å; K228-S232 PolarHBondContact O-N 3.11Å; K228-S232 PolarHBondContact O-OG 3.4Å; F230-S232 PolarHBondContact O-N 3.2Å |
| 233 | T | 93.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -10.7 | -179.9 | 62 | 0 | 0 | 0 | 0 | 112.7 | Q36 F39 M40 L43 E229 F230 T231 | Q36-T233 WeakPolarHBondContact CG-O 3.18Å; Q36-T233 WeakPolarHBondContact CG-OG1 3.32Å; Q36-T233 PolarHBondContact NE2-OG1 3.21Å; F39-T233 HydrophobicContact CB-CG2 4Å; F39-T233 HydrophobicContact CD1-CG2 3.66Å; F39-T233 HydrophobicContact CD2-CG2 3.81Å; F39-T233 HydrophobicContact CE1-CG2 4.02Å; F39-T233 HydrophobicContact CE2-CG2 4.14Å; F39-T233 HydrophobicContact CG-CG2 3.54Å; F39-T233 HydrophobicContact CZ-CG2 4.23Å; M40-T233 HydrophobicContact CG-CG2 4.31Å; M40-T233 WeakPolarHBondContact CG-OG1 3.42Å; L43-T233 HydrophobicContact CD1-CG2 3.37Å; L43-T233 HydrophobicContact CG-CG2 4.46Å; E229-T233 WeakPolarHBondContact O-CG2 3.48Å; E229-T233 PolarHBondContact O-OG1 3.32Å; F230-T233 PolarHBondContact O-N 2.9Å; F230-T233 PolarHBondContact O-OG1 2.97Å; T231-T233 PolarHBondContact O-N 2.51Å |
| 234 | C | 91.9 | Very high | 93.2 | Very high | 24 Ų | 24 | 55.5 Ų | 55.5 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -67.2 | 135.3 | 174.5 | -70.5 | 0 | 0 | 0 | 0 | 110.4 | Q36 F230 | Q36-C234 PolarHBondContact NE2-SG 2.83Å; F230-C234 PolarHBondContact O-N 3.03Å; F230-C234 PolarHBondContact O-SG 2.85Å |
| 235 | P | 90.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 57.7 Ų | 57.7 | 7% | 0.071 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 161.5 | 166 | 31.5 | -36.4 | 0 | 0 | 0 | 110.1 | I29 E237 E239 T240 | I29-P235 HydrophobicContact CG2-CB 4.44Å; I29-P235 WeakPolarHBondContact O-CB 3.41Å; P235-E237 PolarHBondContact O-N 3.33Å; P235-E239 HydrophobicContact CB-CB 4.41Å; P235-T240 WeakPolarHBondContact CG-OG1 3.42Å |
| 236 | A | 90.6 | Very high | 92.2 | Very high | 50 Ų | 50 | 59.9 Ų | 59.9 | 41% | 0.413 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 140.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110 | R238 E239 T240 | A236-R238 HydrophobicContact CB-CG 4.1Å; A236-R238 PolarHBondContact O-N 2.97Å; A236-E239 HydrophobicContact CB-CG 4.32Å; A236-E239 WeakPolarHBondContact O-CB 3.44Å; A236-E239 PolarHBondContact O-N 2.69Å; A236-T240 PolarHBondContact O-N 3.34Å |
| 237 | E | 91 | Very high | 91.6 | Very high | 122 Ų | 122 | 55.1 Ų | 55.1 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -52.7 | -38.1 | -177 | -68.8 | -169.8 | 161 | 0 | 0 | 112.5 | V200 P235 E239 T240 E241 | V200-E237 HydrophobicContact CG1-CB 4.36Å; V200-E237 HydrophobicContact CG2-CG 4.28Å; P235-E237 PolarHBondContact O-N 3.33Å; E237-E239 VanDerWaalsContact C-N 3.26Å; E237-E239 PolarHBondContact O-N 2.86Å; E237-T240 PolarHBondContact O-N 3.11Å; E237-T240 VanDerWaalsContact O-N 3.16Å; E237-E241 WeakPolarHBondContact O-CG 3.47Å; E237-E241 PolarHBondContact O-N 2.7Å |
| 238 | R | 91.1 | Very high | 90.9 | Very high | 159 Ų | 159 | 52.4 Ų | 52.4 | 60% | 0.6 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -57.4 | -35.2 | 176.4 | 72.3 | -177.9 | -171.6 | -168.8 | -1.5 | 113.5 | D25 A236 F242 | D25-R238 IonicContact OD2-NH2 2.87Å; A236-R238 HydrophobicContact CB-CG 4.1Å; A236-R238 PolarHBondContact O-N 2.97Å; R238-F242 WeakPolarHBondContact O-CB 3.15Å; R238-F242 PolarHBondContact O-N 3.44Å |
| 239 | E | 90.8 | Very high | 89.5 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72 | -41.8 | 178.8 | -64.8 | -56.2 | 136.6 | 0 | 0 | 110.2 | S24 P235 A236 E237 F242 A243 | S24-E239 VanDerWaalsContact CB-OE2 3.27Å; S24-E239 WeakPolarHBondContact CB-OE2 3.36Å; S24-E239 PolarHBondContact N-OE2 2.71Å; S24-E239 PolarHBondContact OG-OE1 2.96Å; S24-E239 PolarHBondContact OG-OE2 2.92Å; P235-E239 HydrophobicContact CB-CB 4.41Å; A236-E239 HydrophobicContact CB-CG 4.32Å; A236-E239 WeakPolarHBondContact O-CB 3.44Å; A236-E239 PolarHBondContact O-N 2.69Å; E237-E239 VanDerWaalsContact C-N 3.26Å; E237-E239 PolarHBondContact O-N 2.86Å; E239-F242 PolarHBondContact O-N 3.14Å; E239-A243 WeakPolarHBondContact O-CB 3.1Å; E239-A243 PolarHBondContact O-N 2.91Å |
| 240 | T | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 173.7 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | N31 I197 V200 V201 P235 A236 E237 Y244 | N31-T240 WeakPolarHBondContact OD1-CB 3.1Å; N31-T240 WeakPolarHBondContact OD1-CG2 3.45Å; N31-T240 PolarHBondContact OD1-OG1 3.49Å; I197-T240 HydrophobicContact CB-CG2 4.39Å; I197-T240 HydrophobicContact CG1-CG2 4.21Å; I197-T240 HydrophobicContact CG2-CG2 4.24Å; V200-T240 HydrophobicContact CB-CG2 4.04Å; V200-T240 HydrophobicContact CG1-CG2 3.92Å; V201-T240 HydrophobicContact CG2-CG2 3.74Å; P235-T240 WeakPolarHBondContact CG-OG1 3.42Å; A236-T240 PolarHBondContact O-N 3.34Å; E237-T240 PolarHBondContact O-N 3.11Å; E237-T240 VanDerWaalsContact O-N 3.16Å; T240-Y244 WeakPolarHBondContact O-CD2 3.48Å |
| 241 | E | 92.8 | Very high | 85.6 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 174 | -68.9 | -175 | 160.1 | 0 | 0 | 111.3 | V200 K204 Y205 E237 A243 Y244 L245 | V200-E241 HydrophobicContact CG1-CG 3.97Å; K204-E241 HydrophobicContact CB-CG 4.29Å; K204-E241 WeakPolarHBondContact CD-OE1 3.4Å; K204-E241 HydrophobicContact CG-CG 3.98Å; K204-E241 WeakPolarHBondContact CG-OE1 3.29Å; K204-E241 IonicContact NZ-OE1 2.71Å; K204-E241 PolarHBondContact NZ-OE1 3.06Å; K204-E241 IonicContact NZ-OE2 3.34Å; K204-E241 PolarHBondContact NZ-OE2 2.96Å; Y205-E241 PolarHBondContact OH-O 2.72Å; E237-E241 WeakPolarHBondContact O-CG 3.47Å; E237-E241 PolarHBondContact O-N 2.7Å; E241-A243 PolarHBondContact O-N 3.41Å; E241-Y244 PolarHBondContact O-N 3.41Å; E241-L245 PolarHBondContact O-N 3.48Å |
| 242 | F | 89.8 | Confident | 83.2 | Confident | 122 Ų | 122 | 67.3 Ų | 67.3 | 54% | 0.535 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | -177.9 | -176.7 | -99.4 | 0 | 0 | 0 | 112 | R238 E239 Y244 L245 | R238-F242 WeakPolarHBondContact O-CB 3.15Å; R238-F242 PolarHBondContact O-N 3.44Å; E239-F242 PolarHBondContact O-N 3.14Å; F242-Y244 PolarHBondContact O-N 3.47Å; F242-Y244 VanDerWaalsContact O-N 3.13Å; F242-L245 HydrophobicContact CD2-CD2 4.41Å; F242-L245 HydrophobicContact CE2-CD2 4.47Å; F242-L245 WeakPolarHBondContact O-CB 3.32Å; F242-L245 PolarHBondContact O-N 2.93Å; F242-L245 VanDerWaalsContact O-N 3.09Å |
| 243 | A | 88.7 | Confident | 80.7 | Confident | 52 Ų | 52 | 76.2 Ų | 76.2 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.9 | -25 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N31 E239 E241 | N31-A243 HydrophobicContact CB-CB 3.76Å; E239-A243 WeakPolarHBondContact O-CB 3.1Å; E239-A243 PolarHBondContact O-N 2.91Å; E241-A243 PolarHBondContact O-N 3.41Å |
| 244 | Y | 91.4 | Very high | 78 | Confident | 27 Ų | 27 | 85.3 Ų | 85.3 | 11% | 0.106 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 0.8 | 179.3 | -78.6 | -98 | 0 | 0 | 0 | 114.1 | F125 I129 I197 V201 T240 E241 F242 D246 V247 A248 | F125-Y244 AromaticContact CE1-CE1 3.84Å; F125-Y244 HydrophobicContact CE1-CE1 3.84Å; F125-Y244 AromaticContact CE1-CZ 4Å; F125-Y244 HydrophobicContact CZ-CD1 4.33Å; F125-Y244 AromaticContact CZ-CE1 3.81Å; F125-Y244 HydrophobicContact CZ-CE1 3.81Å; I129-Y244 HydrophobicContact CG1-CD1 4.46Å; I129-Y244 HydrophobicContact CG2-CD1 4.28Å; I129-Y244 HydrophobicContact CG2-CE1 4.27Å; I197-Y244 HydrophobicContact CG2-CD2 4.42Å; I197-Y244 HydrophobicContact CG2-CE2 3.52Å; V201-Y244 HydrophobicContact CB-CG 4.47Å; V201-Y244 HydrophobicContact CG1-CD1 3.85Å; V201-Y244 HydrophobicContact CG1-CD2 4.48Å; V201-Y244 HydrophobicContact CG1-CG 3.8Å; V201-Y244 HydrophobicContact CG2-CD1 4.35Å; V201-Y244 HydrophobicContact CG2-CD2 3.61Å; V201-Y244 HydrophobicContact CG2-CE2 4.08Å; V201-Y244 HydrophobicContact CG2-CG 3.75Å; T240-Y244 WeakPolarHBondContact O-CD2 3.48Å; E241-Y244 PolarHBondContact O-N 3.41Å; F242-Y244 PolarHBondContact O-N 3.47Å; F242-Y244 VanDerWaalsContact O-N 3.13Å; Y244-D246 PolarHBondContact O-N 3.11Å; Y244-V247 PolarHBondContact O-N 2.77Å; Y244-A248 VanDerWaalsContact O-CB 3.3Å; Y244-A248 WeakPolarHBondContact O-CB 3.19Å; Y244-A248 PolarHBondContact O-N 2.83Å |
| 245 | L | 89.4 | Confident | 77.3 | Confident | 46 Ų | 46 | 88.4 Ų | 88.4 | 24% | 0.241 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -54.1 | -52.4 | -173.8 | -173.4 | 69.1 | 0 | 0 | 0 | 113 | Y205 E241 F242 V247 K249 | Y205-L245 HydrophobicContact CE1-CD1 4.17Å; Y205-L245 WeakPolarHBondContact OH-CA 2.97Å; Y205-L245 WeakPolarHBondContact OH-CD1 3.15Å; E241-L245 PolarHBondContact O-N 3.48Å; F242-L245 HydrophobicContact CD2-CD2 4.41Å; F242-L245 HydrophobicContact CE2-CD2 4.47Å; F242-L245 WeakPolarHBondContact O-CB 3.32Å; F242-L245 PolarHBondContact O-N 2.93Å; F242-L245 VanDerWaalsContact O-N 3.09Å; L245-V247 VanDerWaalsContact C-N 3.33Å; L245-K249 HydrophobicContact CD1-CD 4.21Å; L245-K249 HydrophobicContact CG-CD 4.13Å; L245-K249 WeakPolarHBondContact O-CB 3.45Å; L245-K249 WeakPolarHBondContact O-CD 3.49Å; L245-K249 WeakPolarHBondContact O-CG 3.47Å; L245-K249 PolarHBondContact O-N 3.42Å |
| 246 | D | 85.6 | Confident | 76.6 | Confident | 126 Ų | 126 | 92.4 Ų | 92.4 | 67% | 0.674 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -74.2 | -28.5 | -176.5 | -67.2 | -25.6 | 0 | 0 | 0 | 112.7 | Y244 | Y244-D246 PolarHBondContact O-N 3.11Å |
| 247 | V | 84.8 | Confident | 75.8 | Confident | 43 Ų | 43 | 94.8 Ų | 94.8 | 26% | 0.261 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -76.2 | -40 | -177.8 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | K130 Y244 L245 | K130-V247 HydrophobicContact CB-CG1 4.19Å; K130-V247 HydrophobicContact CD-CG1 4.16Å; K130-V247 HydrophobicContact CG-CG1 3.19Å; Y244-V247 PolarHBondContact O-N 2.77Å; L245-V247 VanDerWaalsContact C-N 3.33Å |
| 248 | A | 80.9 | Confident | 74.9 | Confident | 2 Ų | 2 | 93.2 Ų | 93.2 | 2% | 0.017 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -81.5 | -26.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | I129 Y205 R206 Y244 K250 | I129-A248 HydrophobicContact CD1-CB 3.96Å; I129-A248 HydrophobicContact CG1-CB 4.1Å; Y205-A248 HydrophobicContact CD1-CB 3.61Å; Y205-A248 HydrophobicContact CD2-CB 3.81Å; Y205-A248 HydrophobicContact CE1-CB 4.13Å; Y205-A248 HydrophobicContact CE2-CB 4.29Å; Y205-A248 HydrophobicContact CG-CB 3.43Å; Y205-A248 VanDerWaalsContact CG-CB 3.43Å; R206-A248 PolarHBondContact NH1-O 3.35Å; R206-A248 PolarHBondContact NH2-O 3.04Å; Y244-A248 VanDerWaalsContact O-CB 3.3Å; Y244-A248 WeakPolarHBondContact O-CB 3.19Å; Y244-A248 PolarHBondContact O-N 2.83Å; A248-K250 PolarHBondContact O-N 3.13Å |
| 249 | K | 65.9 | Low | 73.9 | Confident | 132 Ų | 132 | 89.1 Ų | 89.1 | 57% | 0.574 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -5.3 | -178.7 | -85.2 | 176 | 177.5 | 173.1 | 0 | 115.8 | L245 E251 | L245-K249 HydrophobicContact CD1-CD 4.21Å; L245-K249 HydrophobicContact CG-CD 4.13Å; L245-K249 WeakPolarHBondContact O-CB 3.45Å; L245-K249 WeakPolarHBondContact O-CD 3.49Å; L245-K249 WeakPolarHBondContact O-CG 3.47Å; L245-K249 PolarHBondContact O-N 3.42Å; K249-E251 PolarHBondContact O-N 3.2Å |
| 250 | K | 59.2 | Low | 72.8 | Confident | 131 Ų | 131 | 94.3 Ų | 94.3 | 57% | 0.57 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 8.2 | -174.6 | -69.4 | -175.9 | 179.2 | 177.2 | 0 | 115.6 | P132 A248 K252 | P132-K250 HydrophobicContact CB-CB 4.13Å; P132-K250 VanDerWaalsContact CB-O 3.32Å; P132-K250 WeakPolarHBondContact CB-O 3.35Å; A248-K250 PolarHBondContact O-N 3.13Å; K250-K252 VanDerWaalsContact C-N 3.25Å; K250-K252 PolarHBondContact O-N 3.46Å |
| 251 | E | 52.3 | Low | 71.5 | Confident | 85 Ų | 85 | 101 Ų | 101 | 40% | 0.397 | 49% | 0.488 | S | S | . | . | trans | -66.4 | 87.8 | 162 | -79.8 | -160.7 | 129.2 | 0 | 0 | 109.6 | K249 R253 | K249-E251 PolarHBondContact O-N 3.2Å; E251-R253 PolarHBondContact O-N 3.43Å | ||
| 252 | K | 43.4 | Very low | 69.8 | Low | 177 Ų | 177 | 105.4 Ų | 105.4 | 77% | 0.77 | 51% | 0.51 | S | S | * | . | trans | -64.8 | 106.2 | 167.8 | -74.4 | -173.8 | 176.4 | -176.2 | 0 | 107.8 | K250 T254 | K250-K252 VanDerWaalsContact C-N 3.25Å; K250-K252 PolarHBondContact O-N 3.46Å; K252-T254 VanDerWaalsContact C-N 3.31Å; K252-T254 PolarHBondContact O-N 3.04Å | ||
| 253 | R | 40.3 | Very low | 68.2 | Low | 237 Ų | 237 | 104 Ų | 104 | 89% | 0.894 | 51% | 0.508 | S | S | * | . | trans | -59.7 | 100.2 | 156.5 | -75.5 | -180 | 174.4 | -177.2 | -2.8 | 106.6 | E251 | E251-R253 PolarHBondContact O-N 3.43Š| ||
| 254 | T | 36 | Very low | 66.3 | Low | 190 Ų | 190 | 108.7 Ų | 108.7 | 100% | 1.166 | 52% | 0.515 | S | S | * | . | trans | -117.8 | 0 | 162.8 | -13.2 | 0 | 0 | 0 | 0 | 106.4 | K252 | K252-T254 VanDerWaalsContact C-N 3.31Å; K252-T254 PolarHBondContact O-N 3.04Å |
Retrieved 254 of 254 residues in 72.9 ms
(Link to these results)