| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.3 | Very low | 36 | Very low | 247 Ų | 247 | 138.8 Ų | 138.8 | 100% | 1.217 | 77% | 0.769 | S | S | * | * | 0 | 132 | 0 | -76.4 | -170.4 | 173.6 | 0 | 0 | 107.7 | |||||
| 2 | N | 41.6 | Very low | 35.6 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -22.7 | 125.4 | -178.2 | -67.6 | -26.2 | 0 | 0 | 0 | 116.8 | ||||
| 3 | D | 37.9 | Very low | 35.6 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | -118.9 | 64.7 | 137.6 | -127.1 | -15.5 | 0 | 0 | 0 | 108.9 | A5 | D3-A5 PolarHBondContact O-N 3.26Š| ||
| 4 | K | 38.9 | Very low | 35.7 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | -80.1 | 78.7 | 155.4 | -84.5 | -179.4 | 172 | 178.5 | 0 | 106.7 | ||||
| 5 | A | 39.4 | Very low | 36.1 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 58% | 0.579 | 76% | 0.76 | S | S | * | * | trans | -105.9 | 86.8 | 158 | 0 | 0 | 0 | 0 | 0 | 105.4 | D3 K7 | D3-A5 PolarHBondContact O-N 3.26Å; A5-K7 PolarHBondContact O-N 3.01Å | ||
| 6 | V | 38.3 | Very low | 37 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | 29.7 | 50.5 | 83.5 | -160.1 | 0 | 0 | 0 | 0 | 111.7 | N8 | V6-N8 VanDerWaalsContact C-N 3.25Š| |||
| 7 | K | 34.9 | Very low | 38.2 | Very low | 193 Ų | 193 | 132.7 Ų | 132.7 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | trans | -86.7 | 84.7 | 139.7 | -74.3 | -178.8 | 177.7 | 178.3 | 0 | 104.1 | A5 | A5-K7 PolarHBondContact O-N 3.01Š| ||
| 8 | N | 30.8 | Very low | 39.9 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 69% | 0.69 | 71% | 0.714 | S | S | * | * | 37.6 | 97.8 | 96.8 | -76.8 | -9.6 | 0 | 0 | 0 | 108.5 | V6 A10 | V6-N8 VanDerWaalsContact C-N 3.25Å; N8-A10 PolarHBondContact O-N 3.36Å | |||
| 9 | A | 32 | Very low | 42.2 | Very low | 86 Ų | 86 | 126.1 Ų | 126.1 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | -23.1 | 84.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I11 | A9-I11 HydrophobicContact CB-CG1 4.09Å; A9-I11 PolarHBondContact O-N 3.03Å | ||
| 10 | A | 32.8 | Very low | 44.4 | Very low | 87 Ų | 87 | 125 Ų | 125 | 72% | 0.719 | 70% | 0.7 | S | S | * | * | trans | -71.2 | 81.3 | 145.3 | 0 | 0 | 0 | 0 | 0 | 102.2 | N8 L12 | N8-A10 PolarHBondContact O-N 3.36Å; A10-L12 PolarHBondContact O-N 2.95Å | ||
| 11 | I | 32.2 | Very low | 46.4 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 64% | 0.641 | 68% | 0.683 | S | S | * | * | trans | -47.3 | 98.3 | 155 | -63.7 | 165 | 0 | 0 | 0 | 102.1 | A9 P13 | A9-I11 HydrophobicContact CB-CG1 4.09Å; A9-I11 PolarHBondContact O-N 3.03Å; I11-P13 WeakPolarHBondContact O-CD 3.45Å | ||
| 12 | L | 31.1 | Very low | 49 | Very low | 132 Ų | 132 | 111.2 Ų | 111.2 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | trans | -51.8 | 117.5 | 172.2 | -82.5 | 155.5 | 0 | 0 | 0 | 103.5 | A10 N14 E15 | A10-L12 PolarHBondContact O-N 2.95Å; L12-N14 PolarHBondContact O-N 3.36Å; L12-E15 PolarHBondContact O-N 2.92Å; L12-E15 VanDerWaalsContact O-N 3.09Å | ||
| 13 | P | 36.2 | Very low | 51.4 | Low | 116 Ų | 116 | 107.7 Ų | 107.7 | 75% | 0.753 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 2.8 | -176.1 | -20.2 | 31.6 | 0 | 0 | 0 | 113.4 | I11 | I11-P13 WeakPolarHBondContact O-CD 3.45Š|
| 14 | N | 37.1 | Very low | 54 | Low | 148 Ų | 148 | 104.2 Ų | 104.2 | 79% | 0.791 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 8.7 | -179.8 | -71.1 | 2.9 | 0 | 0 | 0 | 113.1 | L12 S16 | L12-N14 PolarHBondContact O-N 3.36Å; N14-S16 PolarHBondContact O-N 2.74Å |
| 15 | E | 41.5 | Very low | 56.4 | Low | 153 Ų | 153 | 100 Ų | 100 | 72% | 0.715 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -59.3 | 96.5 | 151.4 | -88.1 | -173.3 | 176 | 0 | 0 | 105.4 | L12 T17 | L12-E15 PolarHBondContact O-N 2.92Å; L12-E15 VanDerWaalsContact O-N 3.09Å; E15-T17 VanDerWaalsContact C-N 3.34Å; E15-T17 PolarHBondContact O-N 2.95Å |
| 16 | S | 50.2 | Low | 58.8 | Low | 96 Ų | 96 | 96.8 Ų | 96.8 | 67% | 0.671 | 55% | 0.55 | S | S | * | * | trans | -49.8 | 104.3 | 179.1 | 29.3 | 0 | 0 | 0 | 0 | 106.5 | N14 D18 | N14-S16 PolarHBondContact O-N 2.74Å; S16-D18 PolarHBondContact O-N 2.87Å | ||
| 17 | T | 58.1 | Low | 61.3 | Low | 84 Ų | 84 | 92.6 Ų | 92.6 | 52% | 0.515 | 53% | 0.525 | S | S | . | . | trans | -67.4 | 36.7 | 171.5 | 39.5 | 0 | 0 | 0 | 0 | 110.5 | E15 I19 K47 A48 | E15-T17 VanDerWaalsContact C-N 3.34Å; E15-T17 PolarHBondContact O-N 2.95Å; T17-I19 PolarHBondContact O-N 2.82Å; T17-K47 VanDerWaalsContact O-O 3.09Å; T17-A48 VanDerWaalsContact O-CA 3.26Å; T17-A48 WeakPolarHBondContact O-CA 3.33Å | ||
| 18 | D | 68.5 | Low | 63.8 | Low | 47 Ų | 47 | 83.6 Ų | 83.6 | 25% | 0.251 | 49% | 0.486 | S | S | . | . | trans | -72.7 | 91.1 | 172.4 | -100.3 | 11.8 | 0 | 0 | 0 | 106.5 | S16 P20 S46 K47 A48 | S16-D18 PolarHBondContact O-N 2.87Å; D18-P20 VanDerWaalsContact O-CD 3.24Å; D18-P20 WeakPolarHBondContact O-CD 3.32Å; D18-S46 VanDerWaalsContact CG-OG 3.27Å; D18-S46 PolarHBondContact OD2-OG 3.31Å; D18-K47 CarbonylContact C-O 3.51Å; D18-K47 WeakPolarHBondContact CA-O 3.38Å; D18-A48 WeakPolarHBondContact OD1-CB 3.5Å | ||
| 19 | I | 82.9 | Confident | 66.5 | Low | 93 Ų | 93 | 78.2 Ų | 78.2 | 48% | 0.477 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 113.8 | 168.4 | -58.8 | 167.9 | 0 | 0 | 0 | 106.3 | T17 L21 S46 K47 | T17-I19 PolarHBondContact O-N 2.82Å; I19-L21 HydrophobicContact CG2-CD2 4.44Å; I19-L21 PolarHBondContact O-N 3.19Å; I19-S46 CarbonylContact O-C 3.56Å; I19-S46 WeakPolarHBondContact O-CA 3.29Å; I19-K47 PolarHBondContact N-O 3.05Å; I19-K47 PolarHBondContact O-N 3.43Å |
| 20 | P | 85.9 | Confident | 69.1 | Low | 104 Ų | 104 | 74.9 Ų | 74.9 | 68% | 0.675 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 119.9 | 177.5 | 28.4 | -32.7 | 0 | 0 | 0 | 108.8 | D18 | D18-P20 VanDerWaalsContact O-CD 3.24Å; D18-P20 WeakPolarHBondContact O-CD 3.32Å |
| 21 | L | 88 | Confident | 71.5 | Confident | 65 Ų | 65 | 71.9 Ų | 71.9 | 34% | 0.34 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -35.3 | 177.6 | -65.2 | -176.7 | 0 | 0 | 0 | 111.6 | I19 L45 K47 L60 P100 I104 | I19-L21 HydrophobicContact CG2-CD2 4.44Å; I19-L21 PolarHBondContact O-N 3.19Å; L21-L45 HydrophobicContact CB-CD2 4.17Å; L21-L45 HydrophobicContact CB-CG 4.19Å; L21-L45 HydrophobicContact CD1-CD2 4.23Å; L21-L45 HydrophobicContact CD1-CG 4.33Å; L21-L45 PolarHBondContact N-O 2.93Å; L21-K47 HydrophobicContact CD1-CB 3.63Å; L21-K47 HydrophobicContact CD1-CD 4.38Å; L21-K47 HydrophobicContact CD2-CB 4.39Å; L21-K47 HydrophobicContact CG-CB 3.94Å; L21-L60 HydrophobicContact CD1-CD2 4.19Å; L21-P100 HydrophobicContact CD1-CB 3.76Å; L21-P100 HydrophobicContact CD1-CG 4.36Å; L21-I104 HydrophobicContact CB-CD1 4.3Å |
| 22 | Y | 91.3 | Very high | 73.8 | Confident | 18 Ų | 18 | 70 Ų | 70 | 7% | 0.071 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 136 | -176.9 | -172.8 | -106.6 | 0 | 0 | 0 | 110.8 | K24 L26 F43 K44 L45 I104 L107 E108 | Y22-K24 HydrophobicContact CE1-CB 4.01Å; Y22-K24 HydrophobicContact CE2-CB 4.35Å; Y22-K24 HydrophobicContact CE2-CD 3.82Å; Y22-K24 HydrophobicContact CE2-CG 4.03Å; Y22-K24 WeakPolarHBondContact OH-CD 3.21Å; Y22-L26 HydrophobicContact CE1-CD1 4.37Å; Y22-L26 HydrophobicContact CE1-CD2 4.38Å; Y22-F43 AromaticContact CD1-CD1 3.83Å; Y22-F43 HydrophobicContact CD1-CD1 3.83Å; Y22-F43 HydrophobicContact CD1-CE1 4.34Å; Y22-F43 HydrophobicContact CE1-CD1 4.21Å; Y22-K44 CarbonylContact O-C 3.46Å; Y22-K44 VanDerWaalsContact O-CA 3.29Å; Y22-K44 WeakPolarHBondContact O-CA 3.39Å; Y22-L45 PolarHBondContact N-O 3.31Å; Y22-L45 VanDerWaalsContact N-O 3.15Å; Y22-L45 PolarHBondContact O-N 2.67Å; Y22-I104 HydrophobicContact CD2-CG1 4.24Å; Y22-I104 HydrophobicContact CD2-CG2 3.86Å; Y22-I104 HydrophobicContact CE2-CG2 4.11Å; Y22-I104 HydrophobicContact CG-CG1 4.12Å; Y22-L107 HydrophobicContact CD1-CD1 4.2Å; Y22-L107 HydrophobicContact CE1-CB 4.38Å; Y22-L107 HydrophobicContact CE1-CD1 4.01Å; Y22-E108 HydrophobicContact CE2-CG 4.27Å; Y22-E108 WeakPolarHBondContact CE2-OE1 3.49Å |
| 23 | A | 90.9 | Very high | 75.7 | Confident | 65 Ų | 65 | 69.5 Ų | 69.5 | 54% | 0.537 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 101.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | F43 K44 | A23-F43 WeakPolarHBondContact CA-O 3.36Å; A23-K44 HydrophobicContact CB-CG 4.07Å |
| 24 | K | 92.4 | Very high | 77.4 | Confident | 88 Ų | 88 | 67.3 Ų | 67.3 | 38% | 0.383 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 161.3 | 178.2 | -76.2 | -168.3 | 179.3 | 171.2 | 0 | 111.5 | Y22 F43 E108 | Y22-K24 HydrophobicContact CE1-CB 4.01Å; Y22-K24 HydrophobicContact CE2-CB 4.35Å; Y22-K24 HydrophobicContact CE2-CD 3.82Å; Y22-K24 HydrophobicContact CE2-CG 4.03Å; Y22-K24 WeakPolarHBondContact OH-CD 3.21Å; K24-F43 PolarHBondContact N-O 2.94Å; K24-F43 VanDerWaalsContact N-O 3.1Å; K24-F43 PolarHBondContact O-N 3.36Å; K24-E108 IonicContact NZ-OE1 3.6Å; K24-E108 PolarHBondContact NZ-OE1 2.82Å; K24-E108 IonicContact NZ-OE2 3.17Å; K24-E108 PolarHBondContact NZ-OE2 3.12Å |
| 25 | K | 89.7 | Confident | 79.4 | Confident | 88 Ų | 88 | 67.9 Ų | 67.9 | 38% | 0.383 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 117.2 | 172.4 | -167.9 | 168.3 | -172.7 | 164.4 | 0 | 109.3 | Y40 V41 E67 L111 | K25-Y40 HydrophobicContact CG-CD1 4.02Å; K25-Y40 HydrophobicContact CG-CG 4.29Å; K25-V41 CarbonylContact C-O 3.58Å; K25-V41 WeakPolarHBondContact CA-O 3.48Å; K25-E67 IonicContact NZ-OE1 2.67Å; K25-E67 PolarHBondContact NZ-OE1 3.16Å; K25-E67 IonicContact NZ-OE2 2.66Å; K25-E67 PolarHBondContact NZ-OE2 3.24Å; K25-L111 WeakPolarHBondContact O-CD1 3.28Å |
| 26 | L | 90.3 | Very high | 81.3 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 139.6 | -176 | -62 | -175.8 | 0 | 0 | 0 | 111.5 | Y22 V28 Y40 V41 F43 L107 L111 I123 | Y22-L26 HydrophobicContact CE1-CD1 4.37Å; Y22-L26 HydrophobicContact CE1-CD2 4.38Å; L26-V28 HydrophobicContact CB-CG2 4.36Å; L26-Y40 WeakPolarHBondContact O-CA 3.04Å; L26-V41 HydrophobicContact CB-CG2 4.34Å; L26-V41 PolarHBondContact N-O 2.76Å; L26-V41 PolarHBondContact O-N 2.91Å; L26-F43 HydrophobicContact CD1-CB 3.5Å; L26-F43 HydrophobicContact CD1-CD1 4.43Å; L26-F43 HydrophobicContact CD1-CD2 4.21Å; L26-F43 HydrophobicContact CD1-CG 3.82Å; L26-F43 HydrophobicContact CG-CB 3.95Å; L26-L107 HydrophobicContact CD1-CB 4.18Å; L26-L107 HydrophobicContact CD1-CD1 4.13Å; L26-L107 HydrophobicContact CD1-CD2 3.81Å; L26-L107 HydrophobicContact CD1-CG 4.24Å; L26-L111 HydrophobicContact CD2-CB 4.4Å; L26-L111 HydrophobicContact CD2-CD1 3.52Å; L26-I123 HydrophobicContact CB-CD1 4.36Å; L26-I123 HydrophobicContact CD1-CD1 3.93Å |
| 27 | P | 89.9 | Confident | 83 | Confident | 27 Ų | 27 | 66.9 Ų | 66.9 | 18% | 0.175 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 123.3 | 170.7 | 29.6 | -29.8 | 0 | 0 | 0 | 110.1 | Y40 A114 | P27-Y40 HydrophobicContact CB-CD1 4.25Å; P27-Y40 HydrophobicContact CB-CE1 3.85Å; P27-Y40 HydrophobicContact CG-CE1 4.47Å; P27-A114 HydrophobicContact CB-CB 4.37Å; P27-A114 HydrophobicContact CG-CB 3.47Å; P27-A114 VanDerWaalsContact CG-CB 3.47Å |
| 28 | V | 88.5 | Confident | 84.3 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.018 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 143.2 | -175.8 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | L26 F30 K38 A39 V41 I123 V125 | L26-V28 HydrophobicContact CB-CG2 4.36Å; V28-F30 HydrophobicContact CG1-CD2 4.46Å; V28-F30 HydrophobicContact CG1-CE2 4.31Å; V28-K38 WeakPolarHBondContact O-CA 3.48Å; V28-A39 PolarHBondContact N-O 3.18Å; V28-A39 PolarHBondContact O-N 3.26Å; V28-V41 HydrophobicContact CB-CG1 4.19Å; V28-V41 HydrophobicContact CB-CG2 4.2Å; V28-V41 HydrophobicContact CG2-CG1 4.33Å; V28-V41 HydrophobicContact CG2-CG2 3.43Å; V28-V41 VanDerWaalsContact CG2-CG2 3.43Å; V28-I123 WeakPolarHBondContact CA-O 3.37Å; V28-I123 HydrophobicContact CB-CG2 4.36Å; V28-I123 HydrophobicContact CG1-CG2 4.03Å; V28-I123 HydrophobicContact CG2-CB 3.95Å; V28-I123 HydrophobicContact CG2-CG2 3.66Å; V28-V125 HydrophobicContact CG1-CB 4.08Å; V28-V125 HydrophobicContact CG1-CG2 3.45Å; V28-V125 VanDerWaalsContact CG1-CG2 3.45Å |
| 29 | S | 87.6 | Confident | 85.3 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 11% | 0.112 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 108.5 | 170.7 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | V31 L37 I123 E124 V125 | S29-V31 PolarHBondContact O-N 3.4Å; S29-L37 CarbonylContact C-O 3.54Å; S29-L37 WeakPolarHBondContact CA-O 3.18Å; S29-I123 PolarHBondContact N-O 2.89Å; S29-E124 CarbonylContact O-C 3.52Å; S29-E124 WeakPolarHBondContact O-CA 3.3Å; S29-V125 PolarHBondContact O-N 2.98Å |
| 30 | F | 85.4 | Confident | 85.6 | Confident | 16 Ų | 16 | 71.6 Ų | 71.6 | 7% | 0.07 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 123.6 | 172.1 | -72.1 | -85.7 | 0 | 0 | 0 | 109.8 | V28 K36 L37 A39 V41 L72 L74 V125 I127 | V28-F30 HydrophobicContact CG1-CD2 4.46Å; V28-F30 HydrophobicContact CG1-CE2 4.31Å; F30-K36 CarbonylContact O-C 3.5Å; F30-K36 VanDerWaalsContact O-CA 3.3Å; F30-K36 WeakPolarHBondContact O-CA 3.23Å; F30-L37 HydrophobicContact CB-CB 4.43Å; F30-L37 PolarHBondContact N-O 2.71Å; F30-L37 PolarHBondContact O-N 2.96Å; F30-A39 HydrophobicContact CD2-CB 4.1Å; F30-A39 HydrophobicContact CE2-CB 4.04Å; F30-V41 HydrophobicContact CE2-CG1 3.52Å; F30-V41 HydrophobicContact CZ-CG1 3.53Å; F30-L72 HydrophobicContact CE1-CD2 4.12Å; F30-L72 HydrophobicContact CZ-CD2 3.67Å; F30-L74 HydrophobicContact CE1-CD1 4.5Å; F30-V125 CarbonylContact C-O 3.58Å; F30-V125 WeakPolarHBondContact CA-O 3.18Å; F30-V125 HydrophobicContact CD1-CB 3.72Å; F30-V125 HydrophobicContact CD1-CG1 3.8Å; F30-V125 HydrophobicContact CE1-CB 3.86Å; F30-V125 HydrophobicContact CE1-CG1 3.78Å; F30-V125 HydrophobicContact CE1-CG2 4.29Å; F30-V125 HydrophobicContact CG-CB 4.48Å; F30-I127 HydrophobicContact CD1-CD1 3.78Å; F30-I127 HydrophobicContact CD1-CG1 4.32Å; F30-I127 HydrophobicContact CE1-CD1 4.34Å |
| 31 | V | 84.5 | Confident | 85.8 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 115.7 | -179.8 | -168.6 | 0 | 0 | 0 | 0 | 109 | S29 Q35 K36 E124 V125 Q126 I127 | S29-V31 PolarHBondContact O-N 3.4Å; V31-Q35 VanDerWaalsContact CA-O 3.27Å; V31-Q35 WeakPolarHBondContact CA-O 3.19Å; V31-K36 HydrophobicContact CG1-CG 4.29Å; V31-K36 HydrophobicContact CG2-CD 4.25Å; V31-K36 HydrophobicContact CG2-CG 3.96Å; V31-E124 HydrophobicContact CG2-CB 4.19Å; V31-E124 HydrophobicContact CG2-CG 4.46Å; V31-V125 PolarHBondContact N-O 2.95Å; V31-Q126 HydrophobicContact CB-CG 4.34Å; V31-Q126 WeakPolarHBondContact O-CA 3.24Å; V31-I127 PolarHBondContact O-N 2.88Å; V31-I127 VanDerWaalsContact O-N 3.12Å |
| 32 | Q | 79 | Confident | 85.9 | Confident | 85 Ų | 85 | 65.3 Ų | 65.3 | 40% | 0.397 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 126.2 | 176.8 | -167.6 | 180 | 17.9 | 0 | 0 | 109.7 | G34 Q35 | Q32-G34 PolarHBondContact O-N 3.4Å; Q32-G34 VanDerWaalsContact O-N 3.08Å; Q32-Q35 PolarHBondContact N-O 3.28Å; Q32-Q35 PolarHBondContact O-N 3.35Å |
| 33 | N | 72.4 | Confident | 85.9 | Confident | 121 Ų | 121 | 64.5 Ų | 64.5 | 65% | 0.647 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 37.7 | -178.7 | -60.9 | -27.3 | 0 | 0 | 0 | 113.9 | Q35 K131 | N33-Q35 VanDerWaalsContact C-N 3.31Å; N33-Q35 PolarHBondContact O-N 3.42Å; N33-K131 PolarHBondContact ND2-NZ 2.77Å |
| 34 | G | 71.3 | Confident | 86 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 73% | 0.732 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -8.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q32 | Q32-G34 PolarHBondContact O-N 3.4Å; Q32-G34 VanDerWaalsContact O-N 3.08Å |
| 35 | Q | 78.8 | Confident | 86 | Confident | 159 Ų | 159 | 62.7 Ų | 62.7 | 74% | 0.743 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 137.3 | 173.5 | -64.3 | -178.3 | -6.6 | 0 | 0 | 110.5 | V31 Q32 N33 | V31-Q35 VanDerWaalsContact CA-O 3.27Å; V31-Q35 WeakPolarHBondContact CA-O 3.19Å; Q32-Q35 PolarHBondContact N-O 3.28Å; Q32-Q35 PolarHBondContact O-N 3.35Å; N33-Q35 VanDerWaalsContact C-N 3.31Å; N33-Q35 PolarHBondContact O-N 3.42Å |
| 36 | K | 82 | Confident | 86.1 | Confident | 129 Ų | 129 | 59.1 Ų | 59.1 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 119.3 | 176 | -61.2 | -162.8 | 177.7 | -176.1 | 0 | 110.7 | F30 V31 E124 | F30-K36 CarbonylContact O-C 3.5Å; F30-K36 VanDerWaalsContact O-CA 3.3Å; F30-K36 WeakPolarHBondContact O-CA 3.23Å; V31-K36 HydrophobicContact CG1-CG 4.29Å; V31-K36 HydrophobicContact CG2-CD 4.25Å; V31-K36 HydrophobicContact CG2-CG 3.96Å; K36-E124 IonicContact NZ-OE1 2.79Å; K36-E124 PolarHBondContact NZ-OE1 2.87Å |
| 37 | L | 85.3 | Confident | 86 | Confident | 99 Ų | 99 | 61 Ų | 61 | 52% | 0.518 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 117.4 | 172.9 | 179.7 | 68.8 | 0 | 0 | 0 | 109.7 | S29 F30 | S29-L37 CarbonylContact C-O 3.54Å; S29-L37 WeakPolarHBondContact CA-O 3.18Å; F30-L37 HydrophobicContact CB-CB 4.43Å; F30-L37 PolarHBondContact N-O 2.71Å; F30-L37 PolarHBondContact O-N 2.96Å |
| 38 | K | 86.7 | Confident | 85.7 | Confident | 174 Ų | 174 | 60.1 Ų | 60.1 | 76% | 0.757 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 125.9 | 171.5 | -66.6 | -174.2 | 178.7 | -176 | 0 | 109.4 | V28 | V28-K38 WeakPolarHBondContact O-CA 3.48Å |
| 39 | A | 87.8 | Confident | 85.4 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 165.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | V28 F30 | V28-A39 PolarHBondContact N-O 3.18Å; V28-A39 PolarHBondContact O-N 3.26Å; F30-A39 HydrophobicContact CD2-CB 4.1Å; F30-A39 HydrophobicContact CE2-CB 4.04Å |
| 40 | Y | 89.3 | Confident | 84.6 | Confident | 139 Ų | 139 | 66.2 Ų | 66.2 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 130.2 | 171 | -76.1 | -87.3 | 0 | 0 | 0 | 109.7 | K25 L26 P27 | K25-Y40 HydrophobicContact CG-CD1 4.02Å; K25-Y40 HydrophobicContact CG-CG 4.29Å; L26-Y40 WeakPolarHBondContact O-CA 3.04Å; P27-Y40 HydrophobicContact CB-CD1 4.25Å; P27-Y40 HydrophobicContact CB-CE1 3.85Å; P27-Y40 HydrophobicContact CG-CE1 4.47Å |
| 41 | V | 89.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.006 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142.5 | 178 | -52.4 | 0 | 0 | 0 | 0 | 109.7 | K25 L26 V28 F30 F43 V64 T65 R66 | K25-V41 CarbonylContact C-O 3.58Å; K25-V41 WeakPolarHBondContact CA-O 3.48Å; L26-V41 HydrophobicContact CB-CG2 4.34Å; L26-V41 PolarHBondContact N-O 2.76Å; L26-V41 PolarHBondContact O-N 2.91Å; V28-V41 HydrophobicContact CB-CG1 4.19Å; V28-V41 HydrophobicContact CB-CG2 4.2Å; V28-V41 HydrophobicContact CG2-CG1 4.33Å; V28-V41 HydrophobicContact CG2-CG2 3.43Å; V28-V41 VanDerWaalsContact CG2-CG2 3.43Å; F30-V41 HydrophobicContact CE2-CG1 3.52Å; F30-V41 HydrophobicContact CZ-CG1 3.53Å; V41-F43 PolarHBondContact O-N 3.23Å; V41-V64 HydrophobicContact CB-CG1 3.57Å; V41-V64 HydrophobicContact CG1-CG1 4.09Å; V41-V64 HydrophobicContact CG2-CG1 3.59Å; V41-T65 CarbonylContact C-O 3.6Å; V41-T65 VanDerWaalsContact CA-O 3.31Å; V41-T65 WeakPolarHBondContact CA-O 3.49Å; V41-R66 HydrophobicContact CB-CG 4.41Å; V41-R66 HydrophobicContact CG1-CG 3.9Å |
| 42 | N | 90.7 | Very high | 82.5 | Confident | 35 Ų | 35 | 72.2 Ų | 72.2 | 19% | 0.187 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 106.4 | 167.9 | -69.5 | -45.3 | 0 | 0 | 0 | 108.2 | V64 T65 | N42-V64 WeakPolarHBondContact O-CA 3.29Å; N42-T65 WeakPolarHBondContact CB-OG1 3.29Å; N42-T65 PolarHBondContact N-O 3.26Å; N42-T65 PolarHBondContact O-N 3.32Å |
| 43 | F | 91.9 | Very high | 81.5 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.009 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 124.9 | 176.3 | -172.7 | -79.7 | 0 | 0 | 0 | 109.1 | Y22 A23 K24 L26 V41 L45 V62 V64 L103 L107 L143 | Y22-F43 AromaticContact CD1-CD1 3.83Å; Y22-F43 HydrophobicContact CD1-CD1 3.83Å; Y22-F43 HydrophobicContact CD1-CE1 4.34Å; Y22-F43 HydrophobicContact CE1-CD1 4.21Å; A23-F43 WeakPolarHBondContact CA-O 3.36Å; K24-F43 PolarHBondContact N-O 2.94Å; K24-F43 VanDerWaalsContact N-O 3.1Å; K24-F43 PolarHBondContact O-N 3.36Å; L26-F43 HydrophobicContact CD1-CB 3.5Å; L26-F43 HydrophobicContact CD1-CD1 4.43Å; L26-F43 HydrophobicContact CD1-CD2 4.21Å; L26-F43 HydrophobicContact CD1-CG 3.82Å; L26-F43 HydrophobicContact CG-CB 3.95Å; V41-F43 PolarHBondContact O-N 3.23Å; F43-L45 HydrophobicContact CE1-CB 4.01Å; F43-V62 HydrophobicContact CD2-CG1 4.36Å; F43-V62 HydrophobicContact CE1-CG1 4.33Å; F43-V62 HydrophobicContact CE2-CG1 3.51Å; F43-V62 HydrophobicContact CZ-CG1 3.51Å; F43-V62 HydrophobicContact CZ-CG2 4.35Å; F43-V64 HydrophobicContact CD2-CG2 3.69Å; F43-V64 HydrophobicContact CE2-CG2 4.1Å; F43-L103 HydrophobicContact CZ-CD2 4.39Å; F43-L107 HydrophobicContact CD1-CD1 3.77Å; F43-L107 HydrophobicContact CE1-CD1 3.42Å; F43-L107 VanDerWaalsContact CE1-CD1 3.42Å; F43-L107 HydrophobicContact CE2-CD1 4.34Å; F43-L107 HydrophobicContact CG-CD1 4.33Å; F43-L107 HydrophobicContact CZ-CD1 3.75Å; F43-L143 HydrophobicContact CE2-CD2 3.85Å |
| 44 | K | 92 | Very high | 80.9 | Confident | 111 Ų | 111 | 75.8 Ų | 75.8 | 48% | 0.483 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.8 | 176.1 | -66.8 | -174.9 | 178.9 | -178.5 | 0 | 109.8 | Y22 A23 V62 K63 | Y22-K44 CarbonylContact O-C 3.46Å; Y22-K44 VanDerWaalsContact O-CA 3.29Å; Y22-K44 WeakPolarHBondContact O-CA 3.39Å; A23-K44 HydrophobicContact CB-CG 4.07Å; K44-V62 CarbonylContact O-C 3.56Å; K44-V62 WeakPolarHBondContact O-CA 3.45Å; K44-K63 HydrophobicContact CB-CB 4.34Å; K44-K63 PolarHBondContact N-O 2.98Å; K44-K63 PolarHBondContact O-N 3.17Å |
| 45 | L | 92.6 | Very high | 80.4 | Confident | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.016 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.7 | 171.2 | 180 | 66.7 | 0 | 0 | 0 | 107.9 | L21 Y22 F43 S61 V62 P100 L103 I104 | L21-L45 HydrophobicContact CB-CD2 4.17Å; L21-L45 HydrophobicContact CB-CG 4.19Å; L21-L45 HydrophobicContact CD1-CD2 4.23Å; L21-L45 HydrophobicContact CD1-CG 4.33Å; L21-L45 PolarHBondContact N-O 2.93Å; Y22-L45 PolarHBondContact N-O 3.31Å; Y22-L45 VanDerWaalsContact N-O 3.15Å; Y22-L45 PolarHBondContact O-N 2.67Å; F43-L45 HydrophobicContact CE1-CB 4.01Å; L45-S61 WeakPolarHBondContact CA-O 3.21Å; L45-V62 HydrophobicContact CD1-CG2 3.73Å; L45-P100 HydrophobicContact CD2-CB 4.25Å; L45-L103 HydrophobicContact CD1-CD2 4.48Å; L45-L103 HydrophobicContact CD2-CD2 4.28Å; L45-I104 HydrophobicContact CD2-CD1 4.24Å; L45-I104 HydrophobicContact CD2-CG1 4.15Å |
| 46 | S | 91.3 | Very high | 79.8 | Confident | 14 Ų | 14 | 76.1 Ų | 76.1 | 10% | 0.098 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 149.2 | 170.4 | 48.6 | 0 | 0 | 0 | 0 | 110.5 | D18 I19 S61 | D18-S46 VanDerWaalsContact CG-OG 3.27Å; D18-S46 PolarHBondContact OD2-OG 3.31Å; I19-S46 CarbonylContact O-C 3.56Å; I19-S46 WeakPolarHBondContact O-CA 3.29Å; S46-S61 PolarHBondContact N-O 3.37Å; S46-S61 PolarHBondContact O-N 2.84Å; S46-S61 WeakPolarHBondContact OG-CB 3.12Å |
| 47 | K | 88.8 | Confident | 79.3 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 17% | 0.17 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.3 | 173.4 | 177.5 | 177.8 | -177.4 | 171.7 | 0 | 108.4 | T17 D18 I19 L21 K59 L60 | T17-K47 VanDerWaalsContact O-O 3.09Å; D18-K47 CarbonylContact C-O 3.51Å; D18-K47 WeakPolarHBondContact CA-O 3.38Å; I19-K47 PolarHBondContact N-O 3.05Å; I19-K47 PolarHBondContact O-N 3.43Å; L21-K47 HydrophobicContact CD1-CB 3.63Å; L21-K47 HydrophobicContact CD1-CD 4.38Å; L21-K47 HydrophobicContact CD2-CB 4.39Å; L21-K47 HydrophobicContact CG-CB 3.94Å; K47-K59 CarbonylContact C-O 3.53Å; K47-K59 WeakPolarHBondContact CA-O 3.29Å; K47-L60 HydrophobicContact CB-CD2 3.88Å; K47-L60 HydrophobicContact CD-CD2 4.46Å; K47-L60 HydrophobicContact CG-CD2 4.06Å |
| 48 | A | 84.9 | Confident | 79.1 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 8% | 0.083 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 154.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | T17 D18 K59 | T17-A48 VanDerWaalsContact O-CA 3.26Å; T17-A48 WeakPolarHBondContact O-CA 3.33Å; D18-A48 WeakPolarHBondContact OD1-CB 3.5Å; A48-K59 PolarHBondContact N-O 2.77Å; A48-K59 PolarHBondContact O-N 2.8Å |
| 49 | L | 80.6 | Confident | 78.9 | Confident | 60 Ų | 60 | 63.2 Ų | 63.2 | 31% | 0.314 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.9 | 164 | -69.2 | 98.4 | 0 | 0 | 0 | 108.1 | P51 L56 L57 Q58 | L49-P51 WeakPolarHBondContact O-CD 3.21Å; L49-L56 HydrophobicContact CD2-CB 4.15Å; L49-L56 HydrophobicContact CD2-CD1 4.21Å; L49-L57 CarbonylContact C-O 3.51Å; L49-L57 WeakPolarHBondContact CA-O 3.05Å; L49-Q58 HydrophobicContact CD2-CG 4.36Å; L49-Q58 HydrophobicContact CG-CG 4.3Å |
| 50 | L | 70.7 | Confident | 79 | Confident | 86 Ų | 86 | 62.8 Ų | 62.8 | 45% | 0.45 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 114.5 | 173.2 | -170.7 | 69.5 | 0 | 0 | 0 | 108.9 | T52 L57 | L50-T52 PolarHBondContact O-N 3.26Å; L50-T52 VanDerWaalsContact O-N 3.17Å; L50-L57 HydrophobicContact CB-CB 4.47Å; L50-L57 PolarHBondContact N-O 3.37Å; L50-L57 PolarHBondContact O-N 3.35Å |
| 51 | P | 67.9 | Low | 79 | Confident | 100 Ų | 100 | 56.5 Ų | 56.5 | 65% | 0.649 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 113.3 | 173 | 25.4 | -30.5 | 0 | 0 | 0 | 110.2 | L49 L56 | L49-P51 WeakPolarHBondContact O-CD 3.21Å; P51-L56 HydrophobicContact CB-CD2 4.28Å |
| 52 | T | 58.2 | Low | 79.1 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | trans | -107.4 | 156.5 | 171 | -44.5 | 0 | 0 | 0 | 0 | 108.7 | L50 E54 N55 L57 | L50-T52 PolarHBondContact O-N 3.26Å; L50-T52 VanDerWaalsContact O-N 3.17Å; T52-E54 PolarHBondContact O-N 2.94Å; T52-N55 CarbonylContact C-O 3.57Å; T52-N55 WeakPolarHBondContact CA-O 3.46Å; T52-N55 WeakPolarHBondContact CB-O 3.44Å; T52-N55 PolarHBondContact N-O 2.77Å; T52-N55 PolarHBondContact O-N 2.98Å; T52-N55 VanDerWaalsContact O-O 3.13Å; T52-L57 HydrophobicContact CG2-CD1 4.39Å; T52-L57 WeakPolarHBondContact OG1-CD1 3.43Å; T52-L57 WeakPolarHBondContact OG1-CG 3.42Å | ||
| 53 | A | 59.1 | Low | 79.1 | Confident | 107 Ų | 107 | 58.9 Ų | 58.9 | 88% | 0.884 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -52.4 | -27.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 54 | E | 60.1 | Low | 78.9 | Confident | 174 Ų | 174 | 58.8 Ų | 58.8 | 81% | 0.813 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -121.2 | -14.7 | -178.4 | -64.6 | -177.2 | 168.4 | 0 | 0 | 113.7 | T52 | T52-E54 PolarHBondContact O-N 2.94Š|
| 55 | N | 59.8 | Low | 78.8 | Confident | 118 Ų | 118 | 54.1 Ų | 54.1 | 63% | 0.631 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -155.3 | 151.7 | -174.3 | -77.7 | -51.3 | 0 | 0 | 0 | 112.3 | T52 L57 | T52-N55 CarbonylContact C-O 3.57Å; T52-N55 WeakPolarHBondContact CA-O 3.46Å; T52-N55 WeakPolarHBondContact CB-O 3.44Å; T52-N55 PolarHBondContact N-O 2.77Å; T52-N55 PolarHBondContact O-N 2.98Å; T52-N55 VanDerWaalsContact O-O 3.13Å; N55-L57 PolarHBondContact O-N 2.83Å |
| 56 | L | 65.3 | Low | 78.5 | Confident | 119 Ų | 119 | 55.9 Ų | 55.9 | 62% | 0.623 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 103.4 | 167.5 | -68.2 | 168.8 | 0 | 0 | 0 | 108.7 | L49 P51 | L49-L56 HydrophobicContact CD2-CB 4.15Å; L49-L56 HydrophobicContact CD2-CD1 4.21Å; P51-L56 HydrophobicContact CB-CD2 4.28Å |
| 57 | L | 72 | Confident | 78 | Confident | 36 Ų | 36 | 61 Ų | 61 | 19% | 0.188 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 135.4 | 173 | -73.7 | 177.9 | 0 | 0 | 0 | 109.2 | L49 L50 T52 N55 | L49-L57 CarbonylContact C-O 3.51Å; L49-L57 WeakPolarHBondContact CA-O 3.05Å; L50-L57 HydrophobicContact CB-CB 4.47Å; L50-L57 PolarHBondContact N-O 3.37Å; L50-L57 PolarHBondContact O-N 3.35Å; T52-L57 HydrophobicContact CG2-CD1 4.39Å; T52-L57 WeakPolarHBondContact OG1-CD1 3.43Å; T52-L57 WeakPolarHBondContact OG1-CG 3.42Å; N55-L57 PolarHBondContact O-N 2.83Å |
| 58 | Q | 80.5 | Confident | 77.6 | Confident | 37 Ų | 37 | 64.4 Ų | 64.4 | 17% | 0.173 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 130.1 | 174.4 | -66.8 | -176.5 | 10.6 | 0 | 0 | 109.6 | L49 F96 Q97 | L49-Q58 HydrophobicContact CD2-CG 4.36Å; L49-Q58 HydrophobicContact CG-CG 4.3Å; Q58-F96 HydrophobicContact CB-CD1 4.42Å; Q58-F96 HydrophobicContact CB-CE1 3.58Å; Q58-F96 HydrophobicContact CB-CZ 4.36Å; Q58-F96 WeakPolarHBondContact O-CZ 3.26Å; Q58-Q97 VanDerWaalsContact CD-NE2 3.29Å; Q58-Q97 VanDerWaalsContact OE1-CD 3.32Å |
| 59 | K | 84.5 | Confident | 77.4 | Confident | 58 Ų | 58 | 66.6 Ų | 66.6 | 25% | 0.252 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.9 | 179.5 | 167 | 169.2 | 169.1 | 166.5 | 0 | 109.5 | K47 A48 S61 T77 L79 | K47-K59 CarbonylContact C-O 3.53Å; K47-K59 WeakPolarHBondContact CA-O 3.29Å; A48-K59 PolarHBondContact N-O 2.77Å; A48-K59 PolarHBondContact O-N 2.8Å; K59-S61 WeakPolarHBondContact CE-OG 3.38Å; K59-T77 HydrophobicContact CD-CG2 3.58Å; K59-T77 VanDerWaalsContact CE-OG1 3.25Å; K59-T77 WeakPolarHBondContact CE-OG1 3.18Å; K59-T77 HydrophobicContact CG-CG2 3.85Å; K59-T77 PolarHBondContact NZ-OG1 2.83Å; K59-T77 VanDerWaalsContact NZ-OG1 3.11Å; K59-L79 HydrophobicContact CB-CD2 4Å; K59-L79 HydrophobicContact CD-CD2 4.47Å; K59-L79 HydrophobicContact CG-CD2 4.29Å |
| 60 | L | 90 | Very high | 77.3 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.1 | 166.1 | -64.4 | 167.2 | 0 | 0 | 0 | 109 | L21 K47 T77 I78 F96 F99 P100 | L21-L60 HydrophobicContact CD1-CD2 4.19Å; K47-L60 HydrophobicContact CB-CD2 3.88Å; K47-L60 HydrophobicContact CD-CD2 4.46Å; K47-L60 HydrophobicContact CG-CD2 4.06Å; L60-T77 WeakPolarHBondContact O-CA 3.16Å; L60-I78 HydrophobicContact CB-CB 4.3Å; L60-I78 PolarHBondContact N-O 2.91Å; L60-I78 PolarHBondContact O-N 2.78Å; L60-F96 HydrophobicContact CD1-CE1 4.5Å; L60-F96 HydrophobicContact CD1-CE2 3.76Å; L60-F96 HydrophobicContact CD1-CZ 3.75Å; L60-F96 HydrophobicContact CG-CE2 4.29Å; L60-F96 HydrophobicContact CG-CZ 3.82Å; L60-F99 HydrophobicContact CD1-CD1 3.95Å; L60-F99 HydrophobicContact CD1-CE1 4.39Å; L60-P100 HydrophobicContact CD1-CG 3.68Å; L60-P100 HydrophobicContact CD2-CB 4.32Å; L60-P100 HydrophobicContact CD2-CG 3.62Å; L60-P100 HydrophobicContact CG-CG 4.28Å |
| 61 | S | 89.2 | Confident | 77.8 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 5% | 0.049 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.1 | 177.1 | -57.4 | 0 | 0 | 0 | 0 | 108.5 | L45 S46 K59 T76 | L45-S61 WeakPolarHBondContact CA-O 3.21Å; S46-S61 PolarHBondContact N-O 3.37Å; S46-S61 PolarHBondContact O-N 2.84Å; S46-S61 WeakPolarHBondContact OG-CB 3.12Å; K59-S61 WeakPolarHBondContact CE-OG 3.38Å; S61-T76 WeakPolarHBondContact CA-O 3.45Å |
| 62 | V | 90.7 | Very high | 78.6 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.4 | 172.8 | 177.5 | 0 | 0 | 0 | 0 | 107.8 | F43 K44 L45 V64 T75 T76 L161 | F43-V62 HydrophobicContact CD2-CG1 4.36Å; F43-V62 HydrophobicContact CE1-CG1 4.33Å; F43-V62 HydrophobicContact CE2-CG1 3.51Å; F43-V62 HydrophobicContact CZ-CG1 3.51Å; F43-V62 HydrophobicContact CZ-CG2 4.35Å; K44-V62 CarbonylContact O-C 3.56Å; K44-V62 WeakPolarHBondContact O-CA 3.45Å; L45-V62 HydrophobicContact CD1-CG2 3.73Å; V62-V64 HydrophobicContact CG1-CG2 4.21Å; V62-T75 CarbonylContact O-C 3.51Å; V62-T75 VanDerWaalsContact O-CA 3.24Å; V62-T75 WeakPolarHBondContact O-CA 3.32Å; V62-T76 HydrophobicContact CB-CG2 3.77Å; V62-T76 HydrophobicContact CG2-CG2 4.04Å; V62-T76 PolarHBondContact N-O 3.09Å; V62-T76 PolarHBondContact O-N 3.3Å; V62-L161 HydrophobicContact CB-CD2 4.39Å; V62-L161 HydrophobicContact CG1-CD2 3.99Å |
| 63 | K | 90 | Very high | 80 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 37% | 0.37 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.9 | 173.6 | -66.4 | -179.8 | -178 | 175.5 | 0 | 109.2 | K44 L74 | K44-K63 HydrophobicContact CB-CB 4.34Å; K44-K63 PolarHBondContact N-O 2.98Å; K44-K63 PolarHBondContact O-N 3.17Å; K63-L74 CarbonylContact C-O 3.48Å; K63-L74 WeakPolarHBondContact CA-O 3.25Å |
| 64 | V | 89.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.5 | 176.7 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | V41 N42 F43 V62 L74 L161 | V41-V64 HydrophobicContact CB-CG1 3.57Å; V41-V64 HydrophobicContact CG1-CG1 4.09Å; V41-V64 HydrophobicContact CG2-CG1 3.59Å; N42-V64 WeakPolarHBondContact O-CA 3.29Å; F43-V64 HydrophobicContact CD2-CG2 3.69Å; F43-V64 HydrophobicContact CE2-CG2 4.1Å; V62-V64 HydrophobicContact CG1-CG2 4.21Å; V64-L74 HydrophobicContact CB-CB 4.25Å; V64-L74 PolarHBondContact N-O 3.25Å; V64-L74 PolarHBondContact O-N 2.8Å; V64-L161 HydrophobicContact CG2-CD1 4.2Å |
| 65 | T | 88.5 | Confident | 82.8 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 167.7 | 178 | 63.9 | 0 | 0 | 0 | 0 | 112.3 | V41 N42 L72 L73 | V41-T65 CarbonylContact C-O 3.6Å; V41-T65 VanDerWaalsContact CA-O 3.31Å; V41-T65 WeakPolarHBondContact CA-O 3.49Å; N42-T65 WeakPolarHBondContact CB-OG1 3.29Å; N42-T65 PolarHBondContact N-O 3.26Å; N42-T65 PolarHBondContact O-N 3.32Å; T65-L72 WeakPolarHBondContact CA-O 3.44Å; T65-L73 HydrophobicContact CG2-CD1 3.37Å |
| 66 | R | 85.7 | Confident | 84.3 | Confident | 40 Ų | 40 | 44.7 Ų | 44.7 | 15% | 0.151 | 23% | 0.228 | C | C | . | . | trans | -128 | 148.5 | 174.1 | -87 | 174.4 | 75.7 | -178.1 | -0.2 | 110.6 | V41 D68 D69 L72 | V41-R66 HydrophobicContact CB-CG 4.41Å; V41-R66 HydrophobicContact CG1-CG 3.9Å; R66-D68 WeakPolarHBondContact CB-OD1 3.45Å; R66-D68 IonicContact CZ-OD1 3.33Å; R66-D68 IonicContact CZ-OD2 2.89Å; R66-D68 IonicContact NE-OD1 3.24Å; R66-D68 PolarHBondContact NE-OD1 3.45Å; R66-D68 IonicContact NE-OD2 3.25Å; R66-D68 IonicContact NH2-OD1 2.8Å; R66-D68 PolarHBondContact NH2-OD1 3.31Å; R66-D68 IonicContact NH2-OD2 3.48Å; R66-D68 PolarHBondContact NH2-OD2 2.66Å; R66-D69 HydrophobicContact CB-CB 4.28Å; R66-L72 HydrophobicContact CB-CB 4.47Å; R66-L72 HydrophobicContact CB-CD2 4.22Å; R66-L72 HydrophobicContact CG-CD2 3.7Å | ||
| 67 | E | 81.4 | Confident | 85.4 | Confident | 122 Ų | 122 | 41.4 Ų | 41.4 | 57% | 0.57 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -78.2 | -35.5 | 174.9 | -77.3 | 163.4 | -149.4 | 0 | 0 | 111.8 | K25 | K25-E67 IonicContact NZ-OE1 2.67Å; K25-E67 PolarHBondContact NZ-OE1 3.16Å; K25-E67 IonicContact NZ-OE2 2.66Å; K25-E67 PolarHBondContact NZ-OE2 3.24Å |
| 68 | D | 80.1 | Confident | 86.3 | Confident | 110 Ų | 110 | 40.1 Ų | 40.1 | 59% | 0.588 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -84 | -18.7 | -178.1 | 59.9 | -32 | 0 | 0 | 0 | 113.3 | R66 | R66-D68 WeakPolarHBondContact CB-OD1 3.45Å; R66-D68 IonicContact CZ-OD1 3.33Å; R66-D68 IonicContact CZ-OD2 2.89Å; R66-D68 IonicContact NE-OD1 3.24Å; R66-D68 PolarHBondContact NE-OD1 3.45Å; R66-D68 IonicContact NE-OD2 3.25Å; R66-D68 IonicContact NH2-OD1 2.8Å; R66-D68 PolarHBondContact NH2-OD1 3.31Å; R66-D68 IonicContact NH2-OD2 3.48Å; R66-D68 PolarHBondContact NH2-OD2 2.66Å |
| 69 | D | 81.7 | Confident | 86.5 | Confident | 56 Ų | 56 | 40.6 Ų | 40.6 | 30% | 0.299 | 21% | 0.21 | S | C | . | . | trans | -130.5 | 90.4 | 172.4 | -174.6 | 0.9 | 0 | 0 | 0 | 110.3 | R66 L71 L72 | R66-D69 HydrophobicContact CB-CB 4.28Å; D69-L71 PolarHBondContact O-N 2.89Å; D69-L71 VanDerWaalsContact O-N 3.15Å; D69-L71 WeakPolarHBondContact OD1-CB 3.38Å; D69-L71 PolarHBondContact OD1-N 3.33Å; D69-L72 HydrophobicContact CB-CB 4.23Å; D69-L72 PolarHBondContact O-N 3.09Å; D69-L72 VanDerWaalsContact O-N 3.11Å; D69-L72 PolarHBondContact OD1-N 3.32Å | ||
| 70 | P | 77.9 | Confident | 86.5 | Confident | 64 Ų | 64 | 40.6 Ų | 40.6 | 42% | 0.416 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.2 | 177.8 | -22.2 | 33.3 | 0 | 0 | 0 | 113.8 | L173 | P70-L173 HydrophobicContact CB-CD2 3.83Š|
| 71 | L | 81.2 | Confident | 86.2 | Confident | 115 Ų | 115 | 45 Ų | 45 | 60% | 0.602 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -18.4 | 178.9 | -58.1 | 176.6 | 0 | 0 | 0 | 111.9 | D69 L73 L169 L173 | D69-L71 PolarHBondContact O-N 2.89Å; D69-L71 VanDerWaalsContact O-N 3.15Å; D69-L71 WeakPolarHBondContact OD1-CB 3.38Å; D69-L71 PolarHBondContact OD1-N 3.33Å; L71-L73 PolarHBondContact O-N 3.02Å; L71-L169 HydrophobicContact CD2-CD2 4.42Å; L71-L173 HydrophobicContact CD2-CD1 4.29Å |
| 72 | L | 85.6 | Confident | 86 | Confident | 25 Ų | 25 | 48 Ų | 48 | 13% | 0.131 | 25% | 0.247 | C | C | . | . | trans | -75.2 | 98.1 | 174.1 | -172 | 80.9 | 0 | 0 | 0 | 110 | F30 T65 R66 D69 L74 | F30-L72 HydrophobicContact CE1-CD2 4.12Å; F30-L72 HydrophobicContact CZ-CD2 3.67Å; T65-L72 WeakPolarHBondContact CA-O 3.44Å; R66-L72 HydrophobicContact CB-CB 4.47Å; R66-L72 HydrophobicContact CB-CD2 4.22Å; R66-L72 HydrophobicContact CG-CD2 3.7Å; D69-L72 HydrophobicContact CB-CB 4.23Å; D69-L72 PolarHBondContact O-N 3.09Å; D69-L72 VanDerWaalsContact O-N 3.11Å; D69-L72 PolarHBondContact OD1-N 3.32Å; L72-L74 HydrophobicContact CD1-CD1 4.35Å; L72-L74 HydrophobicContact CD1-CD2 4.5Å; L72-L74 HydrophobicContact CD1-CG 4.15Å; L72-L74 HydrophobicContact CG-CG 4.48Å | ||
| 73 | L | 87.2 | Confident | 85.9 | Confident | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 101.2 | 167.4 | 179.2 | 63.4 | 0 | 0 | 0 | 108.9 | T65 L71 A164 Q168 L169 H172 | T65-L73 HydrophobicContact CG2-CD1 3.37Å; L71-L73 PolarHBondContact O-N 3.02Å; L73-A164 HydrophobicContact CB-CB 3.98Å; L73-A164 HydrophobicContact CD2-CB 3.44Å; L73-A164 VanDerWaalsContact CD2-CB 3.44Å; L73-A164 HydrophobicContact CG-CB 3.47Å; L73-A164 VanDerWaalsContact CG-CB 3.47Å; L73-A164 WeakPolarHBondContact O-CB 3.39Å; L73-A164 PolarHBondContact O-N 3.47Å; L73-Q168 HydrophobicContact CD2-CB 4.41Å; L73-L169 HydrophobicContact CB-CD1 3.96Å; L73-L169 HydrophobicContact CD2-CB 4.39Å; L73-L169 HydrophobicContact CD2-CD1 4.33Å; L73-H172 HydrophobicContact CD2-CB 4.1Å |
| 74 | L | 88.7 | Confident | 85.7 | Confident | 10 Ų | 10 | 49.7 Ų | 49.7 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.8 | 172.4 | -59.6 | 174.2 | 0 | 0 | 0 | 108.9 | F30 K63 V64 L72 V125 A141 L161 Q162 | F30-L74 HydrophobicContact CE1-CD1 4.5Å; K63-L74 CarbonylContact C-O 3.48Å; K63-L74 WeakPolarHBondContact CA-O 3.25Å; V64-L74 HydrophobicContact CB-CB 4.25Å; V64-L74 PolarHBondContact N-O 3.25Å; V64-L74 PolarHBondContact O-N 2.8Å; L72-L74 HydrophobicContact CD1-CD1 4.35Å; L72-L74 HydrophobicContact CD1-CD2 4.5Å; L72-L74 HydrophobicContact CD1-CG 4.15Å; L72-L74 HydrophobicContact CG-CG 4.48Å; L74-V125 HydrophobicContact CD1-CG1 4.22Å; L74-A141 HydrophobicContact CD1-CB 3.87Å; L74-A141 HydrophobicContact CD2-CB 4.08Å; L74-L161 HydrophobicContact CB-CB 4.21Å; L74-L161 HydrophobicContact CB-CD1 4.17Å; L74-L161 HydrophobicContact CD1-CD1 4.24Å; L74-Q162 WeakPolarHBondContact CA-O 3.31Å |
| 75 | T | 89.6 | Confident | 85.6 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 147.9 | -175.7 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | V62 Q162 A164 | V62-T75 CarbonylContact O-C 3.51Å; V62-T75 VanDerWaalsContact O-CA 3.24Å; V62-T75 WeakPolarHBondContact O-CA 3.32Å; T75-Q162 HydrophobicContact CG2-CG 4.29Å; T75-Q162 PolarHBondContact N-O 3.45Å; T75-Q162 VanDerWaalsContact O-CG 3.28Å; T75-Q162 WeakPolarHBondContact O-CG 3.11Å; T75-Q162 PolarHBondContact O-N 3.05Å; T75-A164 HydrophobicContact CG2-CB 3.8Å |
| 76 | T | 91 | Very high | 85.4 | Confident | 19 Ų | 19 | 59 Ų | 59 | 12% | 0.117 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 153.8 | 162.3 | -163.3 | 0 | 0 | 0 | 0 | 110.4 | S61 V62 I78 I159 E160 L161 | S61-T76 WeakPolarHBondContact CA-O 3.45Å; V62-T76 HydrophobicContact CB-CG2 3.77Å; V62-T76 HydrophobicContact CG2-CG2 4.04Å; V62-T76 PolarHBondContact N-O 3.09Å; V62-T76 PolarHBondContact O-N 3.3Å; T76-I78 HydrophobicContact CG2-CD1 4.24Å; T76-I78 HydrophobicContact CG2-CG1 4.08Å; T76-I159 HydrophobicContact CG2-CG2 3.54Å; T76-E160 WeakPolarHBondContact CB-O 3.43Å; T76-E160 PolarHBondContact OG1-O 3.13Å; T76-L161 HydrophobicContact CG2-CD2 3.75Å |
| 77 | T | 88.7 | Confident | 85.5 | Confident | 50 Ų | 50 | 60.1 Ų | 60.1 | 31% | 0.307 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.7 | 172.9 | -70.7 | 0 | 0 | 0 | 0 | 107.2 | K59 L60 L79 | K59-T77 HydrophobicContact CD-CG2 3.58Å; K59-T77 VanDerWaalsContact CE-OG1 3.25Å; K59-T77 WeakPolarHBondContact CE-OG1 3.18Å; K59-T77 HydrophobicContact CG-CG2 3.85Å; K59-T77 PolarHBondContact NZ-OG1 2.83Å; K59-T77 VanDerWaalsContact NZ-OG1 3.11Å; L60-T77 WeakPolarHBondContact O-CA 3.16Å; T77-L79 HydrophobicContact CG2-CD2 4.18Å; T77-L79 HydrophobicContact CG2-CG 4.29Å |
| 78 | I | 89.7 | Confident | 85.8 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.051 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 108.4 | 177.9 | -55.3 | 168.7 | 0 | 0 | 0 | 107.1 | L60 T76 D82 F96 F99 I159 | L60-I78 HydrophobicContact CB-CB 4.3Å; L60-I78 PolarHBondContact N-O 2.91Å; L60-I78 PolarHBondContact O-N 2.78Å; T76-I78 HydrophobicContact CG2-CD1 4.24Å; T76-I78 HydrophobicContact CG2-CG1 4.08Å; I78-D82 HydrophobicContact CG2-CB 4.36Å; I78-F96 HydrophobicContact CG2-CE2 4.4Å; I78-F99 HydrophobicContact CD1-CE1 4.43Å; I78-I159 HydrophobicContact CD1-CG2 4.27Å |
| 79 | L | 86.3 | Confident | 86.1 | Confident | 47 Ų | 47 | 60 Ų | 60 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | trans | -85.2 | 173.1 | 169.8 | -58.8 | 175.8 | 0 | 0 | 0 | 110.7 | K59 T77 E81 D82 Y83 | K59-L79 HydrophobicContact CB-CD2 4Å; K59-L79 HydrophobicContact CD-CD2 4.47Å; K59-L79 HydrophobicContact CG-CD2 4.29Å; T77-L79 HydrophobicContact CG2-CD2 4.18Å; T77-L79 HydrophobicContact CG2-CG 4.29Å; L79-E81 VanDerWaalsContact C-N 3.28Å; L79-E81 PolarHBondContact O-N 3.03Å; L79-D82 VanDerWaalsContact CB-OD2 3.29Å; L79-D82 WeakPolarHBondContact CB-OD2 3.49Å; L79-D82 PolarHBondContact N-OD2 2.8Å; L79-D82 PolarHBondContact O-N 2.74Å; L79-Y83 WeakPolarHBondContact O-CB 3.33Å; L79-Y83 PolarHBondContact O-N 3.12Å | ||
| 80 | Q | 82.7 | Confident | 86.5 | Confident | 58 Ų | 58 | 58.9 Ų | 58.9 | 27% | 0.271 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 178.7 | -172.3 | 172.5 | -20.6 | 0 | 0 | 111.4 | Y83 Y84 | Q80-Y83 WeakPolarHBondContact O-CB 3.35Å; Q80-Y83 PolarHBondContact O-N 3.36Å; Q80-Y84 HydrophobicContact CG-CD2 4.33Å; Q80-Y84 HydrophobicContact CG-CE2 3.66Å; Q80-Y84 PolarHBondContact NE2-OH 2.73Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.23Å; Q80-Y84 PolarHBondContact O-N 3.12Å; Q80-Y84 VanDerWaalsContact O-N 3.16Å |
| 81 | E | 83.6 | Confident | 86.8 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 175.7 | -63.7 | 73.1 | -159.7 | 0 | 0 | 112 | L79 Y83 Y84 R85 | L79-E81 VanDerWaalsContact C-N 3.28Å; L79-E81 PolarHBondContact O-N 3.03Å; E81-Y83 PolarHBondContact O-N 2.76Å; E81-Y84 PolarHBondContact O-N 3.25Å; E81-R85 PolarHBondContact O-N 3.24Å |
| 82 | D | 86.9 | Confident | 87 | Confident | 69 Ų | 69 | 56.4 Ų | 56.4 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 176.8 | -55.1 | -40.1 | 0 | 0 | 0 | 110.6 | I78 L79 R85 M86 | I78-D82 HydrophobicContact CG2-CB 4.36Å; L79-D82 VanDerWaalsContact CB-OD2 3.29Å; L79-D82 WeakPolarHBondContact CB-OD2 3.49Å; L79-D82 PolarHBondContact N-OD2 2.8Å; L79-D82 PolarHBondContact O-N 2.74Å; D82-R85 PolarHBondContact O-N 3.48Å; D82-M86 WeakPolarHBondContact O-CB 3.37Å; D82-M86 PolarHBondContact O-N 3.14Å |
| 83 | Y | 87.7 | Confident | 87.1 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 176.7 | 179.3 | -98.7 | 0 | 0 | 0 | 112.9 | L79 Q80 E81 R85 M86 K87 L92 V94 D95 F96 F99 | L79-Y83 WeakPolarHBondContact O-CB 3.33Å; L79-Y83 PolarHBondContact O-N 3.12Å; Q80-Y83 WeakPolarHBondContact O-CB 3.35Å; Q80-Y83 PolarHBondContact O-N 3.36Å; E81-Y83 PolarHBondContact O-N 2.76Å; Y83-R85 VanDerWaalsContact C-N 3.3Å; Y83-R85 PolarHBondContact O-N 3.34Å; Y83-M86 HydrophobicContact CD2-CE 3.5Å; Y83-M86 VanDerWaalsContact CD2-CE 3.5Å; Y83-M86 HydrophobicContact CE2-CE 3.79Å; Y83-M86 CarbonylContact O-C 3.54Å; Y83-M86 WeakPolarHBondContact O-CB 3.32Å; Y83-M86 PolarHBondContact O-N 3.49Å; Y83-K87 HydrophobicContact CE1-CB 4.21Å; Y83-K87 HydrophobicContact CE1-CD 4.07Å; Y83-K87 VanDerWaalsContact O-CB 3.23Å; Y83-K87 WeakPolarHBondContact O-CB 3.4Å; Y83-K87 PolarHBondContact O-N 3.19Å; Y83-L92 HydrophobicContact CE2-CD1 4.24Å; Y83-V94 VanDerWaalsContact OH-C 3.29Å; Y83-V94 WeakPolarHBondContact OH-CG2 3.27Å; Y83-V94 PolarHBondContact OH-O 2.83Å; Y83-D95 PolarHBondContact OH-O 2.86Å; Y83-F96 VanDerWaalsContact CB-CD2 3.44Å; Y83-F96 HydrophobicContact CD1-CB 3.79Å; Y83-F96 AromaticContact CD1-CD2 3.86Å; Y83-F96 HydrophobicContact CD1-CD2 3.86Å; Y83-F96 HydrophobicContact CD1-CG 4.34Å; Y83-F96 AromaticContact CD2-CD2 3.92Å; Y83-F96 HydrophobicContact CD2-CD2 3.92Å; Y83-F96 HydrophobicContact CE1-CB 4.03Å; Y83-F96 HydrophobicContact CG-CB 4.28Å; Y83-F96 AromaticContact CG-CD2 3.46Å; Y83-F96 HydrophobicContact CG-CD2 3.46Å; Y83-F96 VanDerWaalsContact CG-CD2 3.46Å; Y83-F96 HydrophobicContact CG-CE2 4.29Å; Y83-F96 HydrophobicContact CG-CG 4.36Å; Y83-F99 HydrophobicContact CD2-CB 4.37Å; Y83-F99 HydrophobicContact CD2-CD1 4.05Å; Y83-F99 HydrophobicContact CD2-CD2 4.49Å; Y83-F99 HydrophobicContact CD2-CE1 4.5Å; Y83-F99 HydrophobicContact CD2-CG 4.05Å; Y83-F99 HydrophobicContact CE2-CB 3.54Å; Y83-F99 AromaticContact CE2-CD1 3.82Å; Y83-F99 HydrophobicContact CE2-CD1 3.82Å; Y83-F99 AromaticContact CE2-CD2 3.57Å; Y83-F99 HydrophobicContact CE2-CD2 3.57Å; Y83-F99 HydrophobicContact CE2-CE1 4.44Å; Y83-F99 HydrophobicContact CE2-CE2 4.21Å; Y83-F99 AromaticContact CE2-CG 3.34Å; Y83-F99 HydrophobicContact CE2-CG 3.34Å |
| 84 | Y | 86.4 | Confident | 87.1 | Confident | 121 Ų | 121 | 64.7 Ų | 64.7 | 48% | 0.475 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 176.1 | -72.7 | -64.2 | 0 | 0 | 0 | 111.5 | Q80 E81 K87 E88 | Q80-Y84 HydrophobicContact CG-CD2 4.33Å; Q80-Y84 HydrophobicContact CG-CE2 3.66Å; Q80-Y84 PolarHBondContact NE2-OH 2.73Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.23Å; Q80-Y84 PolarHBondContact O-N 3.12Å; Q80-Y84 VanDerWaalsContact O-N 3.16Å; E81-Y84 PolarHBondContact O-N 3.25Å; Y84-K87 WeakPolarHBondContact O-CB 3.28Å; Y84-K87 PolarHBondContact O-N 2.85Å; Y84-E88 PolarHBondContact O-N 2.79Å |
| 85 | R | 86.5 | Confident | 87 | Confident | 188 Ų | 188 | 67.8 Ų | 67.8 | 71% | 0.709 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 173.4 | -63.7 | 179.4 | 178.7 | -95.2 | -0 | 111.9 | E81 D82 Y83 K87 S89 | E81-R85 PolarHBondContact O-N 3.24Å; D82-R85 PolarHBondContact O-N 3.48Å; Y83-R85 VanDerWaalsContact C-N 3.3Å; Y83-R85 PolarHBondContact O-N 3.34Å; R85-K87 VanDerWaalsContact C-N 3.33Å; R85-S89 VanDerWaalsContact O-CB 3.32Å; R85-S89 WeakPolarHBondContact O-CB 3.38Å; R85-S89 PolarHBondContact O-N 3.02Å; R85-S89 PolarHBondContact O-OG 2.88Å |
| 86 | M | 85.6 | Confident | 86.9 | Confident | 20 Ų | 20 | 67.8 Ų | 67.8 | 10% | 0.099 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 175.4 | -166.1 | 175.1 | 66.6 | 0 | 0 | 111.7 | D82 Y83 S89 Q90 L92 F99 | D82-M86 WeakPolarHBondContact O-CB 3.37Å; D82-M86 PolarHBondContact O-N 3.14Å; Y83-M86 HydrophobicContact CD2-CE 3.5Å; Y83-M86 VanDerWaalsContact CD2-CE 3.5Å; Y83-M86 HydrophobicContact CE2-CE 3.79Å; Y83-M86 CarbonylContact O-C 3.54Å; Y83-M86 WeakPolarHBondContact O-CB 3.32Å; Y83-M86 PolarHBondContact O-N 3.49Å; M86-S89 WeakPolarHBondContact CA-OG 3.3Å; M86-S89 PolarHBondContact O-OG 3.31Å; M86-Q90 HydrophobicContact CG-CG 4.27Å; M86-Q90 VanDerWaalsContact O-CB 3.29Å; M86-Q90 WeakPolarHBondContact O-CB 3.45Å; M86-Q90 WeakPolarHBondContact O-CG 3.42Å; M86-Q90 PolarHBondContact O-N 3Å; M86-L92 HydrophobicContact CE-CD1 4.07Å; M86-L92 HydrophobicContact CG-CD1 4.37Å; M86-F99 HydrophobicContact CE-CD1 4.37Å; M86-F99 HydrophobicContact CE-CD2 4.37Å; M86-F99 HydrophobicContact CE-CE1 3.68Å; M86-F99 HydrophobicContact CE-CE2 3.66Å; M86-F99 HydrophobicContact CE-CZ 3.27Å; M86-F99 HydrophobicContact SD-CZ 4.42Å |
| 87 | K | 86.4 | Confident | 86.7 | Confident | 64 Ų | 64 | 71.3 Ų | 71.3 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 178.8 | -175.4 | 177.4 | -179.5 | 160.7 | 0 | 111.1 | Y83 Y84 R85 S91 L92 V94 | Y83-K87 HydrophobicContact CE1-CB 4.21Å; Y83-K87 HydrophobicContact CE1-CD 4.07Å; Y83-K87 VanDerWaalsContact O-CB 3.23Å; Y83-K87 WeakPolarHBondContact O-CB 3.4Å; Y83-K87 PolarHBondContact O-N 3.19Å; Y84-K87 WeakPolarHBondContact O-CB 3.28Å; Y84-K87 PolarHBondContact O-N 2.85Å; R85-K87 VanDerWaalsContact C-N 3.33Å; K87-S91 CarbonylContact O-C 3.53Å; K87-S91 VanDerWaalsContact O-CA 3.29Å; K87-S91 WeakPolarHBondContact O-CA 3.22Å; K87-S91 PolarHBondContact O-N 3.47Å; K87-L92 HydrophobicContact CB-CB 4.48Å; K87-L92 WeakPolarHBondContact CE-O 3.41Å; K87-L92 HydrophobicContact CG-CB 4.1Å; K87-L92 WeakPolarHBondContact CG-O 3.45Å; K87-L92 PolarHBondContact O-N 2.86Å; K87-V94 WeakPolarHBondContact CE-O 3.15Å; K87-V94 PolarHBondContact NZ-O 2.89Å |
| 88 | E | 87.8 | Confident | 86.6 | Confident | 157 Ų | 157 | 71.5 Ų | 71.5 | 73% | 0.734 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.2 | -49.6 | 175.9 | -71.4 | 175.6 | -175.3 | 0 | 0 | 112 | Y84 Q90 S91 | Y84-E88 PolarHBondContact O-N 2.79Å; E88-Q90 VanDerWaalsContact C-N 3.32Å; E88-Q90 PolarHBondContact O-N 3.11Å; E88-S91 PolarHBondContact O-N 2.92Å |
| 89 | S | 87.8 | Confident | 86.7 | Confident | 73 Ų | 73 | 71.2 Ų | 71.2 | 51% | 0.51 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -32.2 | -176.8 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | R85 M86 | R85-S89 VanDerWaalsContact O-CB 3.32Å; R85-S89 WeakPolarHBondContact O-CB 3.38Å; R85-S89 PolarHBondContact O-N 3.02Å; R85-S89 PolarHBondContact O-OG 2.88Å; M86-S89 WeakPolarHBondContact CA-OG 3.3Å; M86-S89 PolarHBondContact O-OG 3.31Å |
| 90 | Q | 88.5 | Confident | 86.9 | Confident | 32 Ų | 32 | 69.3 Ų | 69.3 | 15% | 0.15 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 7 | -179.1 | -49.6 | -166.1 | 37.2 | 0 | 0 | 113.4 | M86 E88 L92 Y158 | M86-Q90 HydrophobicContact CG-CG 4.27Å; M86-Q90 VanDerWaalsContact O-CB 3.29Å; M86-Q90 WeakPolarHBondContact O-CB 3.45Å; M86-Q90 WeakPolarHBondContact O-CG 3.42Å; M86-Q90 PolarHBondContact O-N 3Å; E88-Q90 VanDerWaalsContact C-N 3.32Å; E88-Q90 PolarHBondContact O-N 3.11Å; Q90-L92 VanDerWaalsContact C-N 3.27Å; Q90-L92 HydrophobicContact CB-CD2 4.18Å; Q90-L92 HydrophobicContact CB-CG 4.02Å; Q90-L92 PolarHBondContact O-N 2.69Å; Q90-Y158 HydrophobicContact CB-CE1 4.46Å; Q90-Y158 HydrophobicContact CG-CD1 3.88Å; Q90-Y158 HydrophobicContact CG-CE1 3.27Å; Q90-Y158 HydrophobicContact CG-CE2 4.47Å; Q90-Y158 VanDerWaalsContact NE2-CE2 3.32Å; Q90-Y158 VanDerWaalsContact NE2-CZ 3.29Å; Q90-Y158 PolarHBondContact NE2-O 2.84Å; Q90-Y158 PolarHBondContact OE1-O 3.29Å |
| 91 | S | 84.9 | Confident | 87.3 | Confident | 99 Ų | 99 | 71.7 Ų | 71.7 | 69% | 0.692 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 42.6 | -178.7 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | K87 E88 | K87-S91 CarbonylContact O-C 3.53Å; K87-S91 VanDerWaalsContact O-CA 3.29Å; K87-S91 WeakPolarHBondContact O-CA 3.22Å; K87-S91 PolarHBondContact O-N 3.47Å; E88-S91 PolarHBondContact O-N 2.92Å |
| 92 | L | 86.4 | Confident | 87.6 | Confident | 27 Ų | 27 | 72.5 Ų | 72.5 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | trans | -74.8 | 135 | 180 | -55.1 | 174.6 | 0 | 0 | 0 | 110.5 | Y83 M86 K87 Q90 F99 L157 | Y83-L92 HydrophobicContact CE2-CD1 4.24Å; M86-L92 HydrophobicContact CE-CD1 4.07Å; M86-L92 HydrophobicContact CG-CD1 4.37Å; K87-L92 HydrophobicContact CB-CB 4.48Å; K87-L92 WeakPolarHBondContact CE-O 3.41Å; K87-L92 HydrophobicContact CG-CB 4.1Å; K87-L92 WeakPolarHBondContact CG-O 3.45Å; K87-L92 PolarHBondContact O-N 2.86Å; Q90-L92 VanDerWaalsContact C-N 3.27Å; Q90-L92 HydrophobicContact CB-CD2 4.18Å; Q90-L92 HydrophobicContact CB-CG 4.02Å; Q90-L92 PolarHBondContact O-N 2.69Å; L92-F99 HydrophobicContact CD1-CD2 4.36Å; L92-F99 HydrophobicContact CD1-CE2 4.14Å; L92-L157 HydrophobicContact CD1-CD1 4.11Å; L92-L157 HydrophobicContact CD2-CD1 4.02Å | ||
| 93 | L | 86.8 | Confident | 87.8 | Confident | 170 Ų | 170 | 69.4 Ų | 69.4 | 89% | 0.89 | 35% | 0.345 | S | S | * | . | trans | -92.1 | -8.9 | 179.8 | -61.2 | 178.3 | 0 | 0 | 0 | 113.7 | ||||
| 94 | V | 87.3 | Confident | 88 | Confident | 40 Ų | 40 | 70.2 Ų | 70.2 | 24% | 0.242 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -87.1 | 161.1 | -178.1 | -74.2 | 0 | 0 | 0 | 0 | 112.6 | Y83 K87 F99 K102 | Y83-V94 VanDerWaalsContact OH-C 3.29Å; Y83-V94 WeakPolarHBondContact OH-CG2 3.27Å; Y83-V94 PolarHBondContact OH-O 2.83Å; K87-V94 WeakPolarHBondContact CE-O 3.15Å; K87-V94 PolarHBondContact NZ-O 2.89Å; V94-F99 HydrophobicContact CG2-CB 4.42Å; V94-F99 HydrophobicContact CG2-CD2 4.37Å; V94-K102 HydrophobicContact CG1-CG 4.01Å |
| 95 | D | 87.5 | Confident | 88.3 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 40% | 0.401 | 34% | 0.341 | S | S | . | . | trans | -88.4 | 169.9 | 169.3 | 68.2 | -15.5 | 0 | 0 | 0 | 110.8 | Y83 Q97 S98 F99 | Y83-D95 PolarHBondContact OH-O 2.86Å; D95-Q97 PolarHBondContact O-N 2.75Å; D95-S98 PolarHBondContact O-N 2.81Å; D95-S98 WeakPolarHBondContact OD1-CB 3.5Å; D95-S98 PolarHBondContact OD1-N 2.77Å; D95-S98 PolarHBondContact OD1-OG 3.34Å; D95-F99 WeakPolarHBondContact O-CB 3.27Å; D95-F99 PolarHBondContact O-N 2.83Å | ||
| 96 | F | 85.5 | Confident | 88.4 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 4% | 0.044 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -33.5 | -180 | -176.2 | -99 | 0 | 0 | 0 | 112.3 | Q58 L60 I78 Y83 P100 | Q58-F96 HydrophobicContact CB-CD1 4.42Å; Q58-F96 HydrophobicContact CB-CE1 3.58Å; Q58-F96 HydrophobicContact CB-CZ 4.36Å; Q58-F96 WeakPolarHBondContact O-CZ 3.26Å; L60-F96 HydrophobicContact CD1-CE1 4.5Å; L60-F96 HydrophobicContact CD1-CE2 3.76Å; L60-F96 HydrophobicContact CD1-CZ 3.75Å; L60-F96 HydrophobicContact CG-CE2 4.29Å; L60-F96 HydrophobicContact CG-CZ 3.82Å; I78-F96 HydrophobicContact CG2-CE2 4.4Å; Y83-F96 VanDerWaalsContact CB-CD2 3.44Å; Y83-F96 HydrophobicContact CD1-CB 3.79Å; Y83-F96 AromaticContact CD1-CD2 3.86Å; Y83-F96 HydrophobicContact CD1-CD2 3.86Å; Y83-F96 HydrophobicContact CD1-CG 4.34Å; Y83-F96 AromaticContact CD2-CD2 3.92Å; Y83-F96 HydrophobicContact CD2-CD2 3.92Å; Y83-F96 HydrophobicContact CE1-CB 4.03Å; Y83-F96 HydrophobicContact CG-CB 4.28Å; Y83-F96 AromaticContact CG-CD2 3.46Å; Y83-F96 HydrophobicContact CG-CD2 3.46Å; Y83-F96 VanDerWaalsContact CG-CD2 3.46Å; Y83-F96 HydrophobicContact CG-CE2 4.29Å; Y83-F96 HydrophobicContact CG-CG 4.36Å; F96-P100 WeakPolarHBondContact O-CD 3.2Å |
| 97 | Q | 87.1 | Confident | 88.7 | Confident | 93 Ų | 93 | 58.5 Ų | 58.5 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -39.3 | -178.8 | -63.2 | -55.3 | -36 | 0 | 0 | 112.4 | Q58 D95 | Q58-Q97 VanDerWaalsContact CD-NE2 3.29Å; Q58-Q97 VanDerWaalsContact OE1-CD 3.32Å; D95-Q97 PolarHBondContact O-N 2.75Å |
| 98 | S | 88.3 | Confident | 88.9 | Confident | 53 Ų | 53 | 58.3 Ų | 58.3 | 37% | 0.371 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -17.1 | -179.6 | -48.8 | 0 | 0 | 0 | 0 | 113.3 | D95 Q101 K102 | D95-S98 PolarHBondContact O-N 2.81Å; D95-S98 WeakPolarHBondContact OD1-CB 3.5Å; D95-S98 PolarHBondContact OD1-N 2.77Å; D95-S98 PolarHBondContact OD1-OG 3.34Å; S98-Q101 PolarHBondContact O-N 2.78Å; S98-K102 PolarHBondContact O-N 3.14Å; S98-K102 VanDerWaalsContact O-N 3.12Å |
| 99 | F | 90.8 | Very high | 88.9 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.9 | -47.1 | -177.5 | 173.2 | -106.6 | 0 | 0 | 0 | 114.5 | L60 I78 Y83 M86 L92 V94 D95 Q101 K102 L103 L157 | L60-F99 HydrophobicContact CD1-CD1 3.95Å; L60-F99 HydrophobicContact CD1-CE1 4.39Å; I78-F99 HydrophobicContact CD1-CE1 4.43Å; Y83-F99 HydrophobicContact CD2-CB 4.37Å; Y83-F99 HydrophobicContact CD2-CD1 4.05Å; Y83-F99 HydrophobicContact CD2-CD2 4.49Å; Y83-F99 HydrophobicContact CD2-CE1 4.5Å; Y83-F99 HydrophobicContact CD2-CG 4.05Å; Y83-F99 HydrophobicContact CE2-CB 3.54Å; Y83-F99 AromaticContact CE2-CD1 3.82Å; Y83-F99 HydrophobicContact CE2-CD1 3.82Å; Y83-F99 AromaticContact CE2-CD2 3.57Å; Y83-F99 HydrophobicContact CE2-CD2 3.57Å; Y83-F99 HydrophobicContact CE2-CE1 4.44Å; Y83-F99 HydrophobicContact CE2-CE2 4.21Å; Y83-F99 AromaticContact CE2-CG 3.34Å; Y83-F99 HydrophobicContact CE2-CG 3.34Å; M86-F99 HydrophobicContact CE-CD1 4.37Å; M86-F99 HydrophobicContact CE-CD2 4.37Å; M86-F99 HydrophobicContact CE-CE1 3.68Å; M86-F99 HydrophobicContact CE-CE2 3.66Å; M86-F99 HydrophobicContact CE-CZ 3.27Å; M86-F99 HydrophobicContact SD-CZ 4.42Å; L92-F99 HydrophobicContact CD1-CD2 4.36Å; L92-F99 HydrophobicContact CD1-CE2 4.14Å; V94-F99 HydrophobicContact CG2-CB 4.42Å; V94-F99 HydrophobicContact CG2-CD2 4.37Å; D95-F99 WeakPolarHBondContact O-CB 3.27Å; D95-F99 PolarHBondContact O-N 2.83Å; F99-Q101 VanDerWaalsContact C-N 3.29Å; F99-Q101 PolarHBondContact O-N 2.66Å; F99-K102 PolarHBondContact O-N 3.47Å; F99-K102 VanDerWaalsContact O-N 3.14Å; F99-L103 PolarHBondContact O-N 3.12Å; F99-L157 HydrophobicContact CE2-CD1 3.89Å; F99-L157 HydrophobicContact CE2-CD2 3.98Å; F99-L157 HydrophobicContact CZ-CD1 4.32Å; F99-L157 HydrophobicContact CZ-CD2 4.14Å |
| 100 | P | 90 | Very high | 88.9 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.3 | -43.5 | 177.1 | -26.6 | 34.1 | 0 | 0 | 0 | 112.9 | L21 L45 L60 F96 L103 I104 | L21-P100 HydrophobicContact CD1-CB 3.76Å; L21-P100 HydrophobicContact CD1-CG 4.36Å; L45-P100 HydrophobicContact CD2-CB 4.25Å; L60-P100 HydrophobicContact CD1-CG 3.68Å; L60-P100 HydrophobicContact CD2-CB 4.32Å; L60-P100 HydrophobicContact CD2-CG 3.62Å; L60-P100 HydrophobicContact CG-CG 4.28Å; F96-P100 WeakPolarHBondContact O-CD 3.2Å; P100-L103 PolarHBondContact O-N 2.99Å; P100-I104 VanDerWaalsContact O-CG1 3.27Å; P100-I104 WeakPolarHBondContact O-CG1 3.34Å; P100-I104 PolarHBondContact O-N 2.93Å |
| 101 | Q | 91.5 | Very high | 89 | Confident | 108 Ų | 108 | 52.1 Ų | 52.1 | 51% | 0.505 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 179.2 | -173.4 | 59.1 | 37.8 | 0 | 0 | 111 | S98 F99 L103 I104 D105 | S98-Q101 PolarHBondContact O-N 2.78Å; F99-Q101 VanDerWaalsContact C-N 3.29Å; F99-Q101 PolarHBondContact O-N 2.66Å; Q101-L103 VanDerWaalsContact C-N 3.35Å; Q101-L103 PolarHBondContact O-N 3.41Å; Q101-I104 PolarHBondContact O-N 3.08Å; Q101-D105 PolarHBondContact NE2-OD1 2.89Å; Q101-D105 PolarHBondContact O-N 2.94Å |
| 102 | K | 90.7 | Very high | 89.1 | Confident | 111 Ų | 111 | 53.3 Ų | 53.3 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67 | -33.9 | 176.5 | -68.7 | -58.9 | 170.9 | -159 | 0 | 113.9 | V94 S98 F99 D105 L106 | V94-K102 HydrophobicContact CG1-CG 4.01Å; S98-K102 PolarHBondContact O-N 3.14Å; S98-K102 VanDerWaalsContact O-N 3.12Å; F99-K102 PolarHBondContact O-N 3.47Å; F99-K102 VanDerWaalsContact O-N 3.14Å; K102-D105 IonicContact NZ-OD2 3.3Å; K102-D105 PolarHBondContact NZ-OD2 3.07Å; K102-L106 WeakPolarHBondContact O-CB 3.36Å; K102-L106 PolarHBondContact O-N 2.8Å |
| 103 | L | 90.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 170.3 | 173.4 | 60.2 | 0 | 0 | 0 | 110.3 | F43 L45 F99 P100 Q101 D105 L106 L107 L157 I159 | F43-L103 HydrophobicContact CZ-CD2 4.39Å; L45-L103 HydrophobicContact CD1-CD2 4.48Å; L45-L103 HydrophobicContact CD2-CD2 4.28Å; F99-L103 PolarHBondContact O-N 3.12Å; P100-L103 PolarHBondContact O-N 2.99Å; Q101-L103 VanDerWaalsContact C-N 3.35Å; Q101-L103 PolarHBondContact O-N 3.41Å; L103-D105 PolarHBondContact O-N 2.77Å; L103-L106 WeakPolarHBondContact O-CB 3.34Å; L103-L106 PolarHBondContact O-N 2.83Å; L103-L107 HydrophobicContact CD1-CD1 4.11Å; L103-L107 HydrophobicContact CD1-CD2 4.31Å; L103-L107 HydrophobicContact CD1-CG 4.03Å; L103-L107 HydrophobicContact CG-CD1 4.08Å; L103-L107 HydrophobicContact CG-CG 4.4Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.27Å; L103-L107 PolarHBondContact O-N 3.21Å; L103-L157 HydrophobicContact CD1-CD2 3.64Å; L103-I159 HydrophobicContact CD1-CD1 4.03Å; L103-I159 HydrophobicContact CD2-CD1 3.83Å |
| 104 | I | 91.2 | Very high | 89.1 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 10% | 0.097 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -48 | 176.7 | -67 | 165.1 | 0 | 0 | 0 | 110.7 | L21 Y22 L45 P100 Q101 L106 L107 E108 | L21-I104 HydrophobicContact CB-CD1 4.3Å; Y22-I104 HydrophobicContact CD2-CG1 4.24Å; Y22-I104 HydrophobicContact CD2-CG2 3.86Å; Y22-I104 HydrophobicContact CE2-CG2 4.11Å; Y22-I104 HydrophobicContact CG-CG1 4.12Å; L45-I104 HydrophobicContact CD2-CD1 4.24Å; L45-I104 HydrophobicContact CD2-CG1 4.15Å; P100-I104 VanDerWaalsContact O-CG1 3.27Å; P100-I104 WeakPolarHBondContact O-CG1 3.34Å; P100-I104 PolarHBondContact O-N 2.93Å; Q101-I104 PolarHBondContact O-N 3.08Å; I104-L106 PolarHBondContact O-N 3.48Å; I104-L107 PolarHBondContact O-N 2.95Å; I104-L107 VanDerWaalsContact O-N 3.12Å; I104-E108 HydrophobicContact CG2-CG 4.13Å; I104-E108 WeakPolarHBondContact O-CB 3.42Å; I104-E108 WeakPolarHBondContact O-CG 3.49Å; I104-E108 PolarHBondContact O-N 2.83Å |
| 105 | D | 92.7 | Very high | 88.9 | Confident | 56 Ų | 56 | 50.2 Ų | 50.2 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.1 | -41.1 | 177.4 | -64.5 | -12.9 | 0 | 0 | 0 | 110.8 | Q101 K102 L103 L109 | Q101-D105 PolarHBondContact NE2-OD1 2.89Å; Q101-D105 PolarHBondContact O-N 2.94Å; K102-D105 IonicContact NZ-OD2 3.3Å; K102-D105 PolarHBondContact NZ-OD2 3.07Å; L103-D105 PolarHBondContact O-N 2.77Å; D105-L109 WeakPolarHBondContact O-CB 3.46Å; D105-L109 PolarHBondContact O-N 2.89Å |
| 106 | L | 88.8 | Confident | 89 | Confident | 26 Ų | 26 | 51 Ų | 51 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.9 | -39.5 | 178.6 | -170.1 | 64.6 | 0 | 0 | 0 | 112.5 | K102 L103 I104 L109 V110 V145 H156 L157 | K102-L106 WeakPolarHBondContact O-CB 3.36Å; K102-L106 PolarHBondContact O-N 2.8Å; L103-L106 WeakPolarHBondContact O-CB 3.34Å; L103-L106 PolarHBondContact O-N 2.83Å; I104-L106 PolarHBondContact O-N 3.48Å; L106-L109 WeakPolarHBondContact O-CB 3.24Å; L106-L109 PolarHBondContact O-N 3.25Å; L106-V110 WeakPolarHBondContact O-CG2 3.26Å; L106-V110 PolarHBondContact O-N 2.96Å; L106-V145 HydrophobicContact CD1-CG1 3.91Å; L106-V145 HydrophobicContact CD2-CB 3.65Å; L106-V145 HydrophobicContact CD2-CG1 3.66Å; L106-V145 HydrophobicContact CD2-CG2 3.75Å; L106-V145 HydrophobicContact CG-CB 4.13Å; L106-V145 HydrophobicContact CG-CG1 3.59Å; L106-V145 HydrophobicContact CG-CG2 4.2Å; L106-H156 HydrophobicContact CD1-CB 4.46Å; L106-H156 HydrophobicContact CD2-CB 4.2Å; L106-L157 HydrophobicContact CD2-CB 3.92Å; L106-L157 HydrophobicContact CD2-CD2 4.34Å |
| 107 | L | 91.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 175.6 | -64.3 | 174.8 | 0 | 0 | 0 | 111.8 | Y22 L26 F43 L103 I104 V110 L111 I123 | Y22-L107 HydrophobicContact CD1-CD1 4.2Å; Y22-L107 HydrophobicContact CE1-CB 4.38Å; Y22-L107 HydrophobicContact CE1-CD1 4.01Å; L26-L107 HydrophobicContact CD1-CB 4.18Å; L26-L107 HydrophobicContact CD1-CD1 4.13Å; L26-L107 HydrophobicContact CD1-CD2 3.81Å; L26-L107 HydrophobicContact CD1-CG 4.24Å; F43-L107 HydrophobicContact CD1-CD1 3.77Å; F43-L107 HydrophobicContact CE1-CD1 3.42Å; F43-L107 VanDerWaalsContact CE1-CD1 3.42Å; F43-L107 HydrophobicContact CE2-CD1 4.34Å; F43-L107 HydrophobicContact CG-CD1 4.33Å; F43-L107 HydrophobicContact CZ-CD1 3.75Å; L103-L107 HydrophobicContact CD1-CD1 4.11Å; L103-L107 HydrophobicContact CD1-CD2 4.31Å; L103-L107 HydrophobicContact CD1-CG 4.03Å; L103-L107 HydrophobicContact CG-CD1 4.08Å; L103-L107 HydrophobicContact CG-CG 4.4Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.27Å; L103-L107 PolarHBondContact O-N 3.21Å; I104-L107 PolarHBondContact O-N 2.95Å; I104-L107 VanDerWaalsContact O-N 3.12Å; L107-V110 PolarHBondContact O-N 2.67Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 PolarHBondContact O-N 2.91Å; L107-I123 HydrophobicContact CD2-CD1 3.66Å; L107-I123 HydrophobicContact CD2-CG1 4.29Å |
| 108 | E | 90.9 | Very high | 88.2 | Confident | 61 Ų | 61 | 61.5 Ų | 61.5 | 29% | 0.285 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 173.6 | -70.1 | -75.6 | -169.1 | 0 | 0 | 111.1 | Y22 K24 I104 V110 L111 F112 | Y22-E108 HydrophobicContact CE2-CG 4.27Å; Y22-E108 WeakPolarHBondContact CE2-OE1 3.49Å; K24-E108 IonicContact NZ-OE1 3.6Å; K24-E108 PolarHBondContact NZ-OE1 2.82Å; K24-E108 IonicContact NZ-OE2 3.17Å; K24-E108 PolarHBondContact NZ-OE2 3.12Å; I104-E108 HydrophobicContact CG2-CG 4.13Å; I104-E108 WeakPolarHBondContact O-CB 3.42Å; I104-E108 WeakPolarHBondContact O-CG 3.49Å; I104-E108 PolarHBondContact O-N 2.83Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 2.83Å; E108-L111 PolarHBondContact O-N 2.91Å; E108-F112 VanDerWaalsContact O-CB 3.26Å; E108-F112 WeakPolarHBondContact O-CB 3.27Å; E108-F112 PolarHBondContact O-N 3.38Å |
| 109 | L | 88.6 | Confident | 87.9 | Confident | 79 Ų | 79 | 62 Ų | 62 | 41% | 0.414 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 170.2 | -107.9 | 155.3 | 0 | 0 | 0 | 111.6 | D105 L106 F112 E113 | D105-L109 WeakPolarHBondContact O-CB 3.46Å; D105-L109 PolarHBondContact O-N 2.89Å; L106-L109 WeakPolarHBondContact O-CB 3.24Å; L106-L109 PolarHBondContact O-N 3.25Å; L109-F112 PolarHBondContact O-N 3.17Å; L109-E113 VanDerWaalsContact O-CB 3.28Å; L109-E113 WeakPolarHBondContact O-CB 3.47Å; L109-E113 VanDerWaalsContact O-CG 3.26Å; L109-E113 WeakPolarHBondContact O-CG 3.4Å; L109-E113 PolarHBondContact O-N 2.82Å |
| 110 | V | 88.4 | Confident | 87.6 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | L106 L107 E108 F112 E113 A114 F121 I123 V145 | L106-V110 WeakPolarHBondContact O-CG2 3.26Å; L106-V110 PolarHBondContact O-N 2.96Å; L107-V110 PolarHBondContact O-N 2.67Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 2.83Å; V110-F112 VanDerWaalsContact C-N 3.28Å; V110-F112 PolarHBondContact O-N 3.01Å; V110-E113 PolarHBondContact O-N 2.86Å; V110-A114 WeakPolarHBondContact O-CB 3.43Å; V110-A114 PolarHBondContact O-N 3.3Å; V110-F121 HydrophobicContact CG2-CB 3.95Å; V110-I123 HydrophobicContact CB-CD1 3.96Å; V110-I123 HydrophobicContact CB-CG1 4.17Å; V110-I123 HydrophobicContact CG1-CD1 3.64Å; V110-I123 HydrophobicContact CG1-CG1 3.79Å; V110-I123 HydrophobicContact CG2-CD1 4.25Å; V110-I123 HydrophobicContact CG2-CG1 3.96Å; V110-V145 HydrophobicContact CG2-CG1 3.74Å |
| 111 | L | 89 | Confident | 87.6 | Confident | 50 Ų | 50 | 69.6 Ų | 69.6 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 177.9 | -167 | 104.8 | 0 | 0 | 0 | 110.9 | K25 L26 L107 E108 | K25-L111 WeakPolarHBondContact O-CD1 3.28Å; L26-L111 HydrophobicContact CD2-CB 4.4Å; L26-L111 HydrophobicContact CD2-CD1 3.52Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 PolarHBondContact O-N 2.91Å; E108-L111 PolarHBondContact O-N 2.91Å |
| 112 | F | 88.1 | Confident | 87.4 | Confident | 124 Ų | 124 | 65.8 Ų | 65.8 | 54% | 0.544 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.7 | -45.2 | 175.5 | -177.9 | -107.7 | 0 | 0 | 0 | 111.9 | E108 L109 V110 A114 T115 | E108-F112 VanDerWaalsContact O-CB 3.26Å; E108-F112 WeakPolarHBondContact O-CB 3.27Å; E108-F112 PolarHBondContact O-N 3.38Å; L109-F112 PolarHBondContact O-N 3.17Å; V110-F112 VanDerWaalsContact C-N 3.28Å; V110-F112 PolarHBondContact O-N 3.01Å; F112-A114 VanDerWaalsContact C-N 3.28Å; F112-A114 PolarHBondContact O-N 2.83Å; F112-T115 WeakPolarHBondContact O-CB 3.37Å; F112-T115 PolarHBondContact O-N 3.49Å; F112-T115 VanDerWaalsContact O-N 3.11Å; F112-T115 PolarHBondContact O-OG1 2.87Å |
| 113 | E | 87.3 | Confident | 87.4 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -33.9 | 176 | -80.5 | -79.6 | 153.1 | 0 | 0 | 112.8 | L109 V110 T115 K116 P119 R120 F121 | L109-E113 VanDerWaalsContact O-CB 3.28Å; L109-E113 WeakPolarHBondContact O-CB 3.47Å; L109-E113 VanDerWaalsContact O-CG 3.26Å; L109-E113 WeakPolarHBondContact O-CG 3.4Å; L109-E113 PolarHBondContact O-N 2.82Å; V110-E113 PolarHBondContact O-N 2.86Å; E113-T115 PolarHBondContact O-N 2.81Å; E113-T115 VanDerWaalsContact O-N 3.13Å; E113-K116 VanDerWaalsContact O-CB 3.31Å; E113-K116 WeakPolarHBondContact O-CB 3.49Å; E113-K116 PolarHBondContact O-N 3.08Å; E113-K116 WeakPolarHBondContact OE1-CE 3.32Å; E113-K116 IonicContact OE1-NZ 2.66Å; E113-K116 PolarHBondContact OE1-NZ 3Å; E113-P119 HydrophobicContact CB-CB 4.48Å; E113-P119 WeakPolarHBondContact O-CB 3.45Å; E113-P119 WeakPolarHBondContact OE2-CA 3.45Å; E113-R120 PolarHBondContact OE2-N 3.07Å; E113-F121 HydrophobicContact CB-CB 4.26Å; E113-F121 HydrophobicContact CG-CB 4.06Å; E113-F121 HydrophobicContact CG-CD2 3.81Å; E113-F121 HydrophobicContact CG-CG 4.37Å |
| 114 | A | 84.5 | Confident | 87.3 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 40% | 0.397 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P27 V110 F112 | P27-A114 HydrophobicContact CB-CB 4.37Å; P27-A114 HydrophobicContact CG-CB 3.47Å; P27-A114 VanDerWaalsContact CG-CB 3.47Å; V110-A114 WeakPolarHBondContact O-CB 3.43Å; V110-A114 PolarHBondContact O-N 3.3Å; F112-A114 VanDerWaalsContact C-N 3.28Å; F112-A114 PolarHBondContact O-N 2.83Å |
| 115 | T | 85.1 | Confident | 87.1 | Confident | 112 Ų | 112 | 60 Ų | 60 | 69% | 0.687 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -9.9 | 172.3 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | F112 E113 | F112-T115 WeakPolarHBondContact O-CB 3.37Å; F112-T115 PolarHBondContact O-N 3.49Å; F112-T115 VanDerWaalsContact O-N 3.11Å; F112-T115 PolarHBondContact O-OG1 2.87Å; E113-T115 PolarHBondContact O-N 2.81Å; E113-T115 VanDerWaalsContact O-N 3.13Å |
| 116 | K | 87.7 | Confident | 86.9 | Confident | 91 Ų | 91 | 60 Ų | 60 | 40% | 0.396 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -88.7 | 158.9 | -179.5 | -57.6 | -175.6 | -173.9 | 175.7 | 0 | 112 | E113 | E113-K116 VanDerWaalsContact O-CB 3.31Å; E113-K116 WeakPolarHBondContact O-CB 3.49Å; E113-K116 PolarHBondContact O-N 3.08Å; E113-K116 WeakPolarHBondContact OE1-CE 3.32Å; E113-K116 IonicContact OE1-NZ 2.66Å; E113-K116 PolarHBondContact OE1-NZ 3Å |
| 117 | M | 79.6 | Confident | 86.5 | Confident | 187 Ų | 187 | 60.5 Ų | 60.5 | 92% | 0.921 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -66.8 | -36.3 | 179.9 | -70.8 | -66.3 | -65.1 | 0 | 0 | 113.7 | ||
| 118 | E | 77.3 | Confident | 86 | Confident | 136 Ų | 136 | 63.8 Ų | 63.8 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -124.1 | 84.9 | 174.6 | -71.5 | -173.2 | 169.7 | 0 | 0 | 108.6 | R120 | E118-R120 PolarHBondContact O-N 3.14Å; E118-R120 VanDerWaalsContact O-N 3.14Å |
| 119 | P | 81.5 | Confident | 84.9 | Confident | 65 Ų | 65 | 62.8 Ų | 62.8 | 42% | 0.422 | 33% | 0.329 | S | S | . | . | trans | -64 | 116.2 | 178.9 | 25.1 | -32.6 | 0 | 0 | 0 | 109.3 | E113 | E113-P119 HydrophobicContact CB-CB 4.48Å; E113-P119 WeakPolarHBondContact O-CB 3.45Å; E113-P119 WeakPolarHBondContact OE2-CA 3.45Å | ||
| 120 | R | 85.2 | Confident | 83.2 | Confident | 135 Ų | 135 | 62 Ų | 62 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -79.6 | -34.4 | 175.7 | -68.7 | -174.9 | 179.2 | -152.2 | 1.1 | 111.4 | E113 E118 E147 V148 | E113-R120 PolarHBondContact OE2-N 3.07Å; E118-R120 PolarHBondContact O-N 3.14Å; E118-R120 VanDerWaalsContact O-N 3.14Å; R120-E147 CarbonylContact O-C 3.56Å; R120-E147 VanDerWaalsContact O-CA 3.23Å; R120-E147 WeakPolarHBondContact O-CA 3.36Å; R120-V148 PolarHBondContact O-N 3.29Å |
| 121 | F | 88.6 | Confident | 81.3 | Confident | 35 Ų | 35 | 69.6 Ų | 69.6 | 15% | 0.154 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 131.8 | 179.2 | -63.1 | -97.8 | 0 | 0 | 0 | 110 | V110 E113 V146 E147 H156 | V110-F121 HydrophobicContact CG2-CB 3.95Å; E113-F121 HydrophobicContact CB-CB 4.26Å; E113-F121 HydrophobicContact CG-CB 4.06Å; E113-F121 HydrophobicContact CG-CD2 3.81Å; E113-F121 HydrophobicContact CG-CG 4.37Å; F121-V146 WeakPolarHBondContact CA-O 3.48Å; F121-E147 HydrophobicContact CD1-CB 4.06Å; F121-E147 HydrophobicContact CD1-CG 4.46Å; F121-E147 HydrophobicContact CE1-CB 3.94Å; F121-E147 HydrophobicContact CE1-CG 4.16Å; F121-E147 HydrophobicContact CE2-CG 4.43Å; F121-E147 HydrophobicContact CZ-CB 4.42Å; F121-E147 HydrophobicContact CZ-CG 4.14Å; F121-H156 AromaticContact CE1-CD2 3.74Å; F121-H156 AromaticContact CE1-NE2 3.38Å; F121-H156 WeakPolarHBondContact CE1-NE2 3.33Å |
| 122 | A | 88.4 | Confident | 79.3 | Confident | 28 Ų | 28 | 72.5 Ų | 72.5 | 23% | 0.231 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 155.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V146 | A122-V146 HydrophobicContact CB-CG2 4.35Å; A122-V146 PolarHBondContact N-O 2.64Å; A122-V146 WeakPolarHBondContact O-CG2 3.5Å; A122-V146 PolarHBondContact O-N 3.1Å |
| 123 | I | 89.7 | Confident | 77.1 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 126.7 | 169.3 | -65 | 150.8 | 0 | 0 | 0 | 107.7 | L26 V28 S29 L107 V110 L143 E144 V145 | L26-I123 HydrophobicContact CB-CD1 4.36Å; L26-I123 HydrophobicContact CD1-CD1 3.93Å; V28-I123 WeakPolarHBondContact CA-O 3.37Å; V28-I123 HydrophobicContact CB-CG2 4.36Å; V28-I123 HydrophobicContact CG1-CG2 4.03Å; V28-I123 HydrophobicContact CG2-CB 3.95Å; V28-I123 HydrophobicContact CG2-CG2 3.66Å; S29-I123 PolarHBondContact N-O 2.89Å; L107-I123 HydrophobicContact CD2-CD1 3.66Å; L107-I123 HydrophobicContact CD2-CG1 4.29Å; V110-I123 HydrophobicContact CB-CD1 3.96Å; V110-I123 HydrophobicContact CB-CG1 4.17Å; V110-I123 HydrophobicContact CG1-CD1 3.64Å; V110-I123 HydrophobicContact CG1-CG1 3.79Å; V110-I123 HydrophobicContact CG2-CD1 4.25Å; V110-I123 HydrophobicContact CG2-CG1 3.96Å; I123-L143 HydrophobicContact CG2-CD1 3.35Å; I123-L143 HydrophobicContact CG2-CG 4.02Å; I123-E144 WeakPolarHBondContact CA-O 3.29Å; I123-V145 HydrophobicContact CG1-CG2 4.21Å |
| 124 | E | 88.9 | Confident | 74.8 | Confident | 10 Ų | 10 | 78 Ų | 78 | 5% | 0.047 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130 | 174.4 | -65 | -171.7 | 152.3 | 0 | 0 | 109.4 | S29 V31 K36 E144 V146 R153 | S29-E124 CarbonylContact O-C 3.52Å; S29-E124 WeakPolarHBondContact O-CA 3.3Å; V31-E124 HydrophobicContact CG2-CB 4.19Å; V31-E124 HydrophobicContact CG2-CG 4.46Å; K36-E124 IonicContact NZ-OE1 2.79Å; K36-E124 PolarHBondContact NZ-OE1 2.87Å; E124-E144 PolarHBondContact N-O 3.29Å; E124-E144 PolarHBondContact O-N 2.82Å; E124-V146 HydrophobicContact CB-CG2 4.49Å; E124-V146 HydrophobicContact CG-CG2 3.78Å; E124-R153 IonicContact OE2-CZ 2.77Å; E124-R153 IonicContact OE2-NE 3.2Å; E124-R153 PolarHBondContact OE2-NE 3.36Å; E124-R153 IonicContact OE2-NH2 3.35Å; E124-R153 PolarHBondContact OE2-NH2 2.88Å |
| 125 | V | 88.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 108.1 | 173.9 | 175.5 | 0 | 0 | 0 | 0 | 108.3 | V28 S29 F30 V31 L74 I127 A141 R142 L143 | V28-V125 HydrophobicContact CG1-CB 4.08Å; V28-V125 HydrophobicContact CG1-CG2 3.45Å; V28-V125 VanDerWaalsContact CG1-CG2 3.45Å; S29-V125 PolarHBondContact O-N 2.98Å; F30-V125 CarbonylContact C-O 3.58Å; F30-V125 WeakPolarHBondContact CA-O 3.18Å; F30-V125 HydrophobicContact CD1-CB 3.72Å; F30-V125 HydrophobicContact CD1-CG1 3.8Å; F30-V125 HydrophobicContact CE1-CB 3.86Å; F30-V125 HydrophobicContact CE1-CG1 3.78Å; F30-V125 HydrophobicContact CE1-CG2 4.29Å; F30-V125 HydrophobicContact CG-CB 4.48Å; V31-V125 PolarHBondContact N-O 2.95Å; L74-V125 HydrophobicContact CD1-CG1 4.22Å; V125-I127 HydrophobicContact CG1-CG1 4.14Å; V125-A141 HydrophobicContact CG1-CB 3.99Å; V125-R142 CarbonylContact C-O 3.5Å; V125-R142 WeakPolarHBondContact CA-O 3.46Å; V125-L143 HydrophobicContact CG2-CB 4.3Å; V125-L143 HydrophobicContact CG2-CD1 3.44Å; V125-L143 VanDerWaalsContact CG2-CD1 3.44Å; V125-L143 HydrophobicContact CG2-CG 4.4Å |
| 126 | Q | 87.7 | Confident | 70.7 | Confident | 58 Ų | 58 | 80.9 Ų | 80.9 | 27% | 0.271 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 115.5 | 174.9 | -62.6 | -175.8 | 8.4 | 0 | 0 | 109.4 | V31 A141 R142 E144 | V31-Q126 HydrophobicContact CB-CG 4.34Å; V31-Q126 WeakPolarHBondContact O-CA 3.24Å; Q126-A141 CarbonylContact O-C 3.59Å; Q126-A141 VanDerWaalsContact O-CA 3.3Å; Q126-A141 WeakPolarHBondContact O-CA 3.35Å; Q126-R142 HydrophobicContact CB-CB 4.41Å; Q126-R142 PolarHBondContact N-O 2.82Å; Q126-R142 PolarHBondContact O-N 3.15Å; Q126-E144 PolarHBondContact NE2-OE1 3.46Å; Q126-E144 PolarHBondContact NE2-OE2 2.66Å |
| 127 | I | 81.3 | Confident | 68.9 | Low | 36 Ų | 36 | 85.2 Ų | 85.2 | 19% | 0.185 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 116.3 | 177.4 | -57.9 | 175.8 | 0 | 0 | 0 | 108.2 | F30 V31 V125 A141 | F30-I127 HydrophobicContact CD1-CD1 3.78Å; F30-I127 HydrophobicContact CD1-CG1 4.32Å; F30-I127 HydrophobicContact CE1-CD1 4.34Å; V31-I127 PolarHBondContact O-N 2.88Å; V31-I127 VanDerWaalsContact O-N 3.12Å; V125-I127 HydrophobicContact CG1-CG1 4.14Å; I127-A141 HydrophobicContact CG1-CB 4.34Å |
| 128 | S | 80.9 | Confident | 67.7 | Low | 69 Ų | 69 | 83.1 Ų | 83.1 | 48% | 0.483 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 113.4 | 172.9 | -64.1 | 0 | 0 | 0 | 0 | 109 | T140 | S128-T140 PolarHBondContact N-O 2.78Å; S128-T140 PolarHBondContact O-N 2.78Å |
| 129 | S | 66.6 | Low | 67.3 | Low | 40 Ų | 40 | 79.9 Ų | 79.9 | 28% | 0.28 | 44% | 0.439 | S | S | . | . | trans | -102.3 | 124 | 166.9 | 73.5 | 0 | 0 | 0 | 0 | 109 | K131 N139 | S129-K131 PolarHBondContact O-N 2.82Å; S129-K131 VanDerWaalsContact O-N 3.12Å; S129-N139 VanDerWaalsContact CA-OD1 3.27Å; S129-N139 WeakPolarHBondContact CA-OD1 3.35Å; S129-N139 WeakPolarHBondContact CB-OD1 3.26Å | ||
| 130 | S | 54.3 | Low | 67.2 | Low | 62 Ų | 62 | 80.3 Ų | 80.3 | 43% | 0.434 | 44% | 0.441 | S | S | . | . | trans | -65.1 | 111.8 | 166.2 | 56.1 | 0 | 0 | 0 | 0 | 108.7 | T132 | S130-T132 PolarHBondContact O-N 2.93Š| ||
| 131 | K | 48.5 | Very low | 67.3 | Low | 162 Ų | 162 | 74.1 Ų | 74.1 | 70% | 0.704 | 42% | 0.418 | S | S | * | . | trans | -78.3 | 2.7 | 176.3 | -72.7 | -170.9 | -179.5 | 178.1 | 0 | 113.7 | N33 S129 G133 | N33-K131 PolarHBondContact ND2-NZ 2.77Å; S129-K131 PolarHBondContact O-N 2.82Å; S129-K131 VanDerWaalsContact O-N 3.12Å; K131-G133 PolarHBondContact O-N 3.09Å | ||
| 132 | T | 45.5 | Very low | 67.3 | Low | 110 Ų | 110 | 76.3 Ų | 76.3 | 68% | 0.675 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -73.3 | 108.8 | 172.8 | 45.8 | 0 | 0 | 0 | 0 | 108.4 | S130 E134 | S130-T132 PolarHBondContact O-N 2.93Å; T132-E134 PolarHBondContact O-N 2.77Å |
| 133 | G | 42.1 | Very low | 67.5 | Low | 84 Ų | 84 | 75.1 Ų | 75.1 | 87% | 0.866 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -64.4 | 38.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | K131 | K131-G133 PolarHBondContact O-N 3.09Š|
| 134 | E | 40.1 | Very low | 67.5 | Low | 168 Ų | 168 | 75.3 Ų | 75.3 | 79% | 0.785 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -125.9 | 87.8 | 179.5 | -67.7 | -178.9 | 177.9 | 0 | 0 | 109.4 | T132 A136 | T132-E134 PolarHBondContact O-N 2.77Å; E134-A136 PolarHBondContact O-N 2.87Å |
| 135 | L | 40.3 | Very low | 67.6 | Low | 161 Ų | 161 | 74.9 Ų | 74.9 | 84% | 0.843 | 41% | 0.414 | S | S | * | . | trans | 49.3 | 8.6 | 159 | -84.5 | 117.2 | 0 | 0 | 0 | 120.9 | K137 | L135-K137 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 3.22Å | ||
| 136 | A | 42.9 | Very low | 67.7 | Low | 61 Ų | 61 | 74.9 Ų | 74.9 | 50% | 0.504 | 41% | 0.414 | S | S | . | . | trans | -72.2 | 85.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E134 E138 | E134-A136 PolarHBondContact O-N 2.87Å; A136-E138 PolarHBondContact O-N 2.72Å | ||
| 137 | K | 48.9 | Very low | 67.8 | Low | 182 Ų | 182 | 74 Ų | 74 | 79% | 0.791 | 41% | 0.41 | S | S | * | . | trans | -65.7 | 11.6 | 176.8 | -80.5 | 176.8 | 172.7 | 177 | 0 | 114.9 | L135 | L135-K137 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 3.22Å | ||
| 138 | E | 55.9 | Low | 67.8 | Low | 143 Ų | 143 | 75.9 Ų | 75.9 | 67% | 0.668 | 42% | 0.423 | S | S | * | . | trans | -118.7 | 79 | -171.7 | -64.7 | -177.7 | -176.8 | 0 | 0 | 109.2 | A136 T140 | A136-E138 PolarHBondContact O-N 2.72Å; E138-T140 PolarHBondContact O-N 2.78Å; E138-T140 VanDerWaalsContact O-N 3.09Å | ||
| 139 | N | 67.1 | Low | 67.8 | Low | 68 Ų | 68 | 76.7 Ų | 76.7 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | trans | -62.1 | 113.7 | 162 | -86.8 | -13.2 | 0 | 0 | 0 | 107.3 | S129 S163 | S129-N139 VanDerWaalsContact CA-OD1 3.27Å; S129-N139 WeakPolarHBondContact CA-OD1 3.35Å; S129-N139 WeakPolarHBondContact CB-OD1 3.26Å; N139-S163 PolarHBondContact O-N 2.65Å; N139-S163 VanDerWaalsContact O-N 3.14Å | ||
| 140 | T | 81.5 | Confident | 68.4 | Low | 74 Ų | 74 | 85.7 Ų | 85.7 | 45% | 0.454 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 138.3 | 169.5 | 55.6 | 0 | 0 | 0 | 0 | 108.1 | S128 E138 | S128-T140 PolarHBondContact N-O 2.78Å; S128-T140 PolarHBondContact O-N 2.78Å; E138-T140 PolarHBondContact O-N 2.78Å; E138-T140 VanDerWaalsContact O-N 3.09Å |
| 141 | A | 86.8 | Confident | 69.8 | Low | 4 Ų | 4 | 92.1 Ų | 92.1 | 3% | 0.033 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | L74 V125 Q126 I127 L161 | L74-A141 HydrophobicContact CD1-CB 3.87Å; L74-A141 HydrophobicContact CD2-CB 4.08Å; V125-A141 HydrophobicContact CG1-CB 3.99Å; Q126-A141 CarbonylContact O-C 3.59Å; Q126-A141 VanDerWaalsContact O-CA 3.3Å; Q126-A141 WeakPolarHBondContact O-CA 3.35Å; I127-A141 HydrophobicContact CG1-CB 4.34Å; A141-L161 HydrophobicContact CB-CB 4.18Å; A141-L161 PolarHBondContact N-O 2.87Å; A141-L161 CarbonylContact O-C 3.56Å; A141-L161 VanDerWaalsContact O-CA 3.32Å; A141-L161 WeakPolarHBondContact O-CA 3.23Å; A141-L161 WeakPolarHBondContact O-CB 3.37Å; A141-L161 PolarHBondContact O-N 2.91Å |
| 142 | R | 89.1 | Confident | 71.6 | Confident | 82 Ų | 82 | 92.9 Ų | 92.9 | 31% | 0.309 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 110.4 | 177 | -170 | 178 | -179.7 | 179.9 | 1.8 | 108.6 | V125 Q126 E144 Y158 | V125-R142 CarbonylContact C-O 3.5Å; V125-R142 WeakPolarHBondContact CA-O 3.46Å; Q126-R142 HydrophobicContact CB-CB 4.41Å; Q126-R142 PolarHBondContact N-O 2.82Å; Q126-R142 PolarHBondContact O-N 3.15Å; R142-E144 VanDerWaalsContact CD-OE1 3.29Å; R142-E144 WeakPolarHBondContact CD-OE1 3.34Å; R142-E144 HydrophobicContact CG-CG 3.94Å; R142-E144 IonicContact CZ-OE1 3.64Å; R142-E144 IonicContact NE-OE1 3.34Å; R142-E144 PolarHBondContact NE-OE1 3.27Å; R142-E144 IonicContact NH1-OE1 3.84Å; R142-Y158 HydrophobicContact CG-CD2 4.07Å; R142-Y158 HydrophobicContact CG-CG 4.39Å |
| 143 | L | 90.6 | Very high | 73.4 | Confident | 3 Ų | 3 | 92.1 Ų | 92.1 | 2% | 0.016 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 113.5 | 172.6 | 177.9 | 94.7 | 0 | 0 | 0 | 108.2 | F43 I123 V125 Y158 I159 L161 | F43-L143 HydrophobicContact CE2-CD2 3.85Å; I123-L143 HydrophobicContact CG2-CD1 3.35Å; I123-L143 HydrophobicContact CG2-CG 4.02Å; V125-L143 HydrophobicContact CG2-CB 4.3Å; V125-L143 HydrophobicContact CG2-CD1 3.44Å; V125-L143 VanDerWaalsContact CG2-CD1 3.44Å; V125-L143 HydrophobicContact CG2-CG 4.4Å; L143-Y158 CarbonylContact O-C 3.54Å; L143-Y158 WeakPolarHBondContact O-CA 3.49Å; L143-I159 HydrophobicContact CB-CB 4.41Å; L143-I159 HydrophobicContact CD2-CB 4.31Å; L143-I159 HydrophobicContact CD2-CD1 4.22Å; L143-I159 PolarHBondContact N-O 3Å; L143-I159 PolarHBondContact O-N 3.44Å; L143-L161 HydrophobicContact CB-CD1 3.71Å; L143-L161 HydrophobicContact CB-CG 4.34Å |
| 144 | E | 91.5 | Very high | 75.7 | Confident | 5 Ų | 5 | 92.1 Ų | 92.1 | 2% | 0.023 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.4 | 179.3 | -57.4 | -169.9 | 179.2 | 0 | 0 | 109.8 | I123 E124 Q126 R142 V146 R153 T155 L157 | I123-E144 WeakPolarHBondContact CA-O 3.29Å; E124-E144 PolarHBondContact N-O 3.29Å; E124-E144 PolarHBondContact O-N 2.82Å; Q126-E144 PolarHBondContact NE2-OE1 3.46Å; Q126-E144 PolarHBondContact NE2-OE2 2.66Å; R142-E144 VanDerWaalsContact CD-OE1 3.29Å; R142-E144 WeakPolarHBondContact CD-OE1 3.34Å; R142-E144 HydrophobicContact CG-CG 3.94Å; R142-E144 IonicContact CZ-OE1 3.64Å; R142-E144 IonicContact NE-OE1 3.34Å; R142-E144 PolarHBondContact NE-OE1 3.27Å; R142-E144 IonicContact NH1-OE1 3.84Å; E144-V146 HydrophobicContact CB-CG1 3.82Å; E144-R153 IonicContact OE2-CZ 2.91Å; E144-R153 IonicContact OE2-NH1 2.69Å; E144-R153 PolarHBondContact OE2-NH1 2.82Å; E144-R153 IonicContact OE2-NH2 3.87Å; E144-R153 PolarHBondContact OE2-NH2 2.79Å; E144-T155 HydrophobicContact CB-CG2 4.11Å; E144-T155 HydrophobicContact CG-CG2 4.38Å; E144-T155 PolarHBondContact OE2-OG1 2.92Å; E144-L157 CarbonylContact C-O 3.42Å; E144-L157 WeakPolarHBondContact CA-O 3.29Å |
| 145 | V | 90.7 | Very high | 78 | Confident | 1 Ų | 1 | 86.4 Ų | 86.4 | 1% | 0.006 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 114.2 | 163.6 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | L106 V110 I123 H156 L157 | L106-V145 HydrophobicContact CD1-CG1 3.91Å; L106-V145 HydrophobicContact CD2-CB 3.65Å; L106-V145 HydrophobicContact CD2-CG1 3.66Å; L106-V145 HydrophobicContact CD2-CG2 3.75Å; L106-V145 HydrophobicContact CG-CB 4.13Å; L106-V145 HydrophobicContact CG-CG1 3.59Å; L106-V145 HydrophobicContact CG-CG2 4.2Å; V110-V145 HydrophobicContact CG2-CG1 3.74Å; I123-V145 HydrophobicContact CG1-CG2 4.21Å; V145-H156 PolarHBondContact O-N 2.89Å; V145-L157 PolarHBondContact N-O 2.93Å |
| 146 | V | 90.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 138.6 | -172.7 | -61 | 0 | 0 | 0 | 0 | 110.6 | F121 A122 E124 E144 V148 R153 L154 | F121-V146 WeakPolarHBondContact CA-O 3.48Å; A122-V146 HydrophobicContact CB-CG2 4.35Å; A122-V146 PolarHBondContact N-O 2.64Å; A122-V146 WeakPolarHBondContact O-CG2 3.5Å; A122-V146 PolarHBondContact O-N 3.1Å; E124-V146 HydrophobicContact CB-CG2 4.49Å; E124-V146 HydrophobicContact CG-CG2 3.78Å; E144-V146 HydrophobicContact CB-CG1 3.82Å; V146-V148 HydrophobicContact CG2-CG2 4.2Å; V146-R153 HydrophobicContact CB-CG 4.41Å; V146-L154 CarbonylContact C-O 3.59Å; V146-L154 WeakPolarHBondContact CA-O 3.37Å |
| 147 | E | 89.2 | Confident | 82.5 | Confident | 39 Ų | 39 | 79.6 Ų | 79.6 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 121.3 | 162.9 | -177.9 | -176.9 | 168.4 | 0 | 0 | 108.7 | R120 F121 L154 H156 | R120-E147 CarbonylContact O-C 3.56Å; R120-E147 VanDerWaalsContact O-CA 3.23Å; R120-E147 WeakPolarHBondContact O-CA 3.36Å; F121-E147 HydrophobicContact CD1-CB 4.06Å; F121-E147 HydrophobicContact CD1-CG 4.46Å; F121-E147 HydrophobicContact CE1-CB 3.94Å; F121-E147 HydrophobicContact CE1-CG 4.16Å; F121-E147 HydrophobicContact CE2-CG 4.43Å; F121-E147 HydrophobicContact CZ-CB 4.42Å; F121-E147 HydrophobicContact CZ-CG 4.14Å; E147-L154 PolarHBondContact N-O 2.72Å; E147-L154 PolarHBondContact O-N 2.92Å; E147-H156 WeakPolarHBondContact CB-NE2 3.37Å; E147-H156 IonicContact OE2-CE1 3.86Å; E147-H156 PolarHBondContact OE2-CE1 3.11Å; E147-H156 IonicContact OE2-NE2 2.69Å; E147-H156 PolarHBondContact OE2-NE2 3.37Å |
| 148 | V | 81.2 | Confident | 84.4 | Confident | 75 Ų | 75 | 72.9 Ų | 72.9 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 103.2 | 177.3 | -173.7 | 0 | 0 | 0 | 0 | 107.8 | R120 V146 | R120-V148 PolarHBondContact O-N 3.29Å; V146-V148 HydrophobicContact CG2-CG2 4.2Å |
| 149 | N | 80.7 | Confident | 86.1 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 46% | 0.46 | 30% | 0.302 | S | S | . | . | trans | -98.6 | 160.1 | 169.3 | -166.2 | -19.9 | 0 | 0 | 0 | 109.4 | F151 R152 | N149-F151 PolarHBondContact O-N 3.41Å; N149-R152 PolarHBondContact N-O 2.76Å; N149-R152 VanDerWaalsContact N-O 3.09Å; N149-R152 PolarHBondContact O-N 2.85Å | ||
| 150 | R | 79.4 | Confident | 87.1 | Confident | 230 Ų | 230 | 69.1 Ų | 69.1 | 87% | 0.868 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -54.9 | -24.5 | 179.6 | -65.3 | -172.1 | 178.9 | 179.2 | -0 | 113.9 | ||
| 151 | F | 83.6 | Confident | 87.5 | Confident | 197 Ų | 197 | 65.8 Ų | 65.8 | 86% | 0.864 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -96.7 | -36.6 | -179.5 | -176 | -119.7 | 0 | 0 | 0 | 113.5 | N149 | N149-F151 PolarHBondContact O-N 3.41Š|
| 152 | R | 87 | Confident | 87.5 | Confident | 178 Ų | 178 | 70.1 Ų | 70.1 | 67% | 0.672 | 31% | 0.312 | S | S | * | . | trans | -156.9 | 144 | -167.1 | -170.6 | 172.1 | 177.9 | -179.9 | 0.2 | 111.7 | N149 | N149-R152 PolarHBondContact N-O 2.76Å; N149-R152 VanDerWaalsContact N-O 3.09Å; N149-R152 PolarHBondContact O-N 2.85Å | ||
| 153 | R | 83.6 | Confident | 87.3 | Confident | 93 Ų | 93 | 69 Ų | 69 | 35% | 0.351 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 122.1 | 163.8 | 179.5 | -173.9 | -174.7 | -98.4 | 11.5 | 108.9 | E124 E144 V146 T155 | E124-R153 IonicContact OE2-CZ 2.77Å; E124-R153 IonicContact OE2-NE 3.2Å; E124-R153 PolarHBondContact OE2-NE 3.36Å; E124-R153 IonicContact OE2-NH2 3.35Å; E124-R153 PolarHBondContact OE2-NH2 2.88Å; E144-R153 IonicContact OE2-CZ 2.91Å; E144-R153 IonicContact OE2-NH1 2.69Å; E144-R153 PolarHBondContact OE2-NH1 2.82Å; E144-R153 IonicContact OE2-NH2 3.87Å; E144-R153 PolarHBondContact OE2-NH2 2.79Å; V146-R153 HydrophobicContact CB-CG 4.41Å; R153-T155 PolarHBondContact NH1-OG1 3.35Å |
| 154 | L | 89.4 | Confident | 87 | Confident | 84 Ų | 84 | 69.3 Ų | 69.3 | 44% | 0.44 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.7 | 176.2 | -177.2 | 65.1 | 0 | 0 | 0 | 109.2 | V146 E147 | V146-L154 CarbonylContact C-O 3.59Å; V146-L154 WeakPolarHBondContact CA-O 3.37Å; E147-L154 PolarHBondContact N-O 2.72Å; E147-L154 PolarHBondContact O-N 2.92Å |
| 155 | T | 88.6 | Confident | 86.5 | Confident | 49 Ų | 49 | 71.7 Ų | 71.7 | 30% | 0.301 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 116.9 | 171.7 | -57.6 | 0 | 0 | 0 | 0 | 108.2 | E144 R153 Y158 | E144-T155 HydrophobicContact CB-CG2 4.11Å; E144-T155 HydrophobicContact CG-CG2 4.38Å; E144-T155 PolarHBondContact OE2-OG1 2.92Å; R153-T155 PolarHBondContact NH1-OG1 3.35Å; T155-Y158 HydrophobicContact CG2-CD1 4.45Å |
| 156 | H | 86.3 | Confident | 86.1 | Confident | 70 Ų | 70 | 76.4 Ų | 76.4 | 32% | 0.324 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -38.6 | 177.9 | -77.9 | -79.9 | 0 | 0 | 0 | 112 | L106 F121 V145 E147 | L106-H156 HydrophobicContact CD1-CB 4.46Å; L106-H156 HydrophobicContact CD2-CB 4.2Å; F121-H156 AromaticContact CE1-CD2 3.74Å; F121-H156 AromaticContact CE1-NE2 3.38Å; F121-H156 WeakPolarHBondContact CE1-NE2 3.33Å; V145-H156 PolarHBondContact O-N 2.89Å; E147-H156 WeakPolarHBondContact CB-NE2 3.37Å; E147-H156 IonicContact OE2-CE1 3.86Å; E147-H156 PolarHBondContact OE2-CE1 3.11Å; E147-H156 IonicContact OE2-NE2 2.69Å; E147-H156 PolarHBondContact OE2-NE2 3.37Å |
| 157 | L | 90.6 | Very high | 86 | Confident | 9 Ų | 9 | 83.8 Ų | 83.8 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 142 | 180 | -178.2 | 69 | 0 | 0 | 0 | 108.5 | L92 F99 L103 L106 E144 V145 I159 | L92-L157 HydrophobicContact CD1-CD1 4.11Å; L92-L157 HydrophobicContact CD2-CD1 4.02Å; F99-L157 HydrophobicContact CE2-CD1 3.89Å; F99-L157 HydrophobicContact CE2-CD2 3.98Å; F99-L157 HydrophobicContact CZ-CD1 4.32Å; F99-L157 HydrophobicContact CZ-CD2 4.14Å; L103-L157 HydrophobicContact CD1-CD2 3.64Å; L106-L157 HydrophobicContact CD2-CB 3.92Å; L106-L157 HydrophobicContact CD2-CD2 4.34Å; E144-L157 CarbonylContact C-O 3.42Å; E144-L157 WeakPolarHBondContact CA-O 3.29Å; V145-L157 PolarHBondContact N-O 2.93Å; L157-I159 HydrophobicContact CD2-CD1 4.46Å |
| 158 | Y | 90.4 | Very high | 85.8 | Confident | 41 Ų | 41 | 85.9 Ų | 85.9 | 16% | 0.161 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 146.4 | 165.3 | 69.1 | -93.8 | 0 | 0 | 0 | 111.8 | Q90 R142 L143 T155 E160 | Q90-Y158 HydrophobicContact CB-CE1 4.46Å; Q90-Y158 HydrophobicContact CG-CD1 3.88Å; Q90-Y158 HydrophobicContact CG-CE1 3.27Å; Q90-Y158 HydrophobicContact CG-CE2 4.47Å; Q90-Y158 VanDerWaalsContact NE2-CE2 3.32Å; Q90-Y158 VanDerWaalsContact NE2-CZ 3.29Å; Q90-Y158 PolarHBondContact NE2-O 2.84Å; Q90-Y158 PolarHBondContact OE1-O 3.29Å; R142-Y158 HydrophobicContact CG-CD2 4.07Å; R142-Y158 HydrophobicContact CG-CG 4.39Å; L143-Y158 CarbonylContact O-C 3.54Å; L143-Y158 WeakPolarHBondContact O-CA 3.49Å; T155-Y158 HydrophobicContact CG2-CD1 4.45Å; Y158-E160 HydrophobicContact CD2-CG 4.38Å; Y158-E160 HydrophobicContact CE2-CG 4.39Å |
| 159 | I | 90.5 | Very high | 86 | Confident | 3 Ų | 3 | 84 Ų | 84 | 2% | 0.015 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.6 | 176.3 | -60.6 | 178.2 | 0 | 0 | 0 | 107.5 | T76 I78 L103 L143 L157 L161 | T76-I159 HydrophobicContact CG2-CG2 3.54Å; I78-I159 HydrophobicContact CD1-CG2 4.27Å; L103-I159 HydrophobicContact CD1-CD1 4.03Å; L103-I159 HydrophobicContact CD2-CD1 3.83Å; L143-I159 HydrophobicContact CB-CB 4.41Å; L143-I159 HydrophobicContact CD2-CB 4.31Å; L143-I159 HydrophobicContact CD2-CD1 4.22Å; L143-I159 PolarHBondContact N-O 3Å; L143-I159 PolarHBondContact O-N 3.44Å; L157-I159 HydrophobicContact CD2-CD1 4.46Å; I159-L161 HydrophobicContact CG2-CD2 4.22Å; I159-L161 HydrophobicContact CG2-CG 4.5Å; I159-L161 PolarHBondContact O-N 2.89Å |
| 160 | E | 89.1 | Confident | 86.3 | Confident | 129 Ų | 129 | 85.5 Ų | 85.5 | 60% | 0.603 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 119.3 | 172.6 | -67.6 | 176.7 | -173 | 0 | 0 | 108.7 | T76 Y158 | T76-E160 WeakPolarHBondContact CB-O 3.43Å; T76-E160 PolarHBondContact OG1-O 3.13Å; Y158-E160 HydrophobicContact CD2-CG 4.38Å; Y158-E160 HydrophobicContact CE2-CG 4.39Å |
| 161 | L | 88.9 | Confident | 86.7 | Confident | 4 Ų | 4 | 81.1 Ų | 81.1 | 2% | 0.021 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 152.9 | 177.1 | -59.8 | 168.8 | 0 | 0 | 0 | 108.6 | V62 V64 L74 T76 A141 L143 I159 | V62-L161 HydrophobicContact CB-CD2 4.39Å; V62-L161 HydrophobicContact CG1-CD2 3.99Å; V64-L161 HydrophobicContact CG2-CD1 4.2Å; L74-L161 HydrophobicContact CB-CB 4.21Å; L74-L161 HydrophobicContact CB-CD1 4.17Å; L74-L161 HydrophobicContact CD1-CD1 4.24Å; T76-L161 HydrophobicContact CG2-CD2 3.75Å; A141-L161 HydrophobicContact CB-CB 4.18Å; A141-L161 PolarHBondContact N-O 2.87Å; A141-L161 CarbonylContact O-C 3.56Å; A141-L161 VanDerWaalsContact O-CA 3.32Å; A141-L161 WeakPolarHBondContact O-CA 3.23Å; A141-L161 WeakPolarHBondContact O-CB 3.37Å; A141-L161 PolarHBondContact O-N 2.91Å; L143-L161 HydrophobicContact CB-CD1 3.71Å; L143-L161 HydrophobicContact CB-CG 4.34Å; I159-L161 HydrophobicContact CG2-CD2 4.22Å; I159-L161 HydrophobicContact CG2-CG 4.5Å; I159-L161 PolarHBondContact O-N 2.89Å |
| 162 | Q | 87.6 | Confident | 86.8 | Confident | 95 Ų | 95 | 73.8 Ų | 73.8 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 152 | 172.4 | 56 | -172.4 | 12.9 | 0 | 0 | 109.4 | L74 T75 A164 | L74-Q162 WeakPolarHBondContact CA-O 3.31Å; T75-Q162 HydrophobicContact CG2-CG 4.29Å; T75-Q162 PolarHBondContact N-O 3.45Å; T75-Q162 VanDerWaalsContact O-CG 3.28Å; T75-Q162 WeakPolarHBondContact O-CG 3.11Å; T75-Q162 PolarHBondContact O-N 3.05Å; Q162-A164 PolarHBondContact O-N 2.88Å |
| 163 | S | 84.6 | Confident | 86.9 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 133 | 166.5 | -172 | 0 | 0 | 0 | 0 | 109.2 | N139 | N139-S163 PolarHBondContact O-N 2.65Å; N139-S163 VanDerWaalsContact O-N 3.14Å |
| 164 | A | 83.5 | Confident | 87.2 | Confident | 11 Ų | 11 | 67.2 Ų | 67.2 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 145.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L73 T75 Q162 Q168 | L73-A164 HydrophobicContact CB-CB 3.98Å; L73-A164 HydrophobicContact CD2-CB 3.44Å; L73-A164 VanDerWaalsContact CD2-CB 3.44Å; L73-A164 HydrophobicContact CG-CB 3.47Å; L73-A164 VanDerWaalsContact CG-CB 3.47Å; L73-A164 WeakPolarHBondContact O-CB 3.39Å; L73-A164 PolarHBondContact O-N 3.47Å; T75-A164 HydrophobicContact CG2-CB 3.8Å; Q162-A164 PolarHBondContact O-N 2.88Å; A164-Q168 HydrophobicContact CB-CB 4.11Å |
| 165 | A | 82.2 | Confident | 87.2 | Confident | 55 Ų | 55 | 67.2 Ų | 67.2 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 152.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | E167 Q168 L169 | A165-E167 PolarHBondContact O-N 2.82Å; A165-Q168 PolarHBondContact O-N 3.06Å; A165-L169 PolarHBondContact O-N 3.46Å; A165-L169 VanDerWaalsContact O-N 3.08Å |
| 166 | T | 82.7 | Confident | 87.2 | Confident | 100 Ų | 100 | 68.4 Ų | 68.4 | 61% | 0.613 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -50.2 | -38.5 | -178.4 | -50.3 | 0 | 0 | 0 | 0 | 112.7 | L169 Q170 | T166-L169 PolarHBondContact O-N 2.67Å; T166-Q170 HydrophobicContact CG2-CG 4.41Å; T166-Q170 WeakPolarHBondContact O-CB 3.31Å; T166-Q170 VanDerWaalsContact O-CG 3.23Å; T166-Q170 WeakPolarHBondContact O-CG 3.35Å; T166-Q170 PolarHBondContact O-N 3.45Å |
| 167 | E | 86.8 | Confident | 87.4 | Confident | 154 Ų | 154 | 69.3 Ų | 69.3 | 72% | 0.72 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.3 | -46.1 | 179 | -64.6 | 168.3 | -173 | 0 | 0 | 112.4 | A165 L169 Q170 E171 | A165-E167 PolarHBondContact O-N 2.82Å; E167-L169 VanDerWaalsContact C-N 3.35Å; E167-Q170 PolarHBondContact O-N 2.87Å; E167-E171 WeakPolarHBondContact O-CB 3.45Å; E167-E171 PolarHBondContact O-N 3.44Å |
| 168 | Q | 84.5 | Confident | 87.5 | Confident | 84 Ų | 84 | 72.7 Ų | 72.7 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 179 | -67.8 | 177.8 | -15.8 | 0 | 0 | 111.6 | L73 A164 A165 H172 | L73-Q168 HydrophobicContact CD2-CB 4.41Å; A164-Q168 HydrophobicContact CB-CB 4.11Å; A165-Q168 PolarHBondContact O-N 3.06Å; Q168-H172 WeakPolarHBondContact O-CB 3.47Å; Q168-H172 PolarHBondContact O-N 3.11Å |
| 169 | L | 86 | Confident | 87.5 | Confident | 36 Ų | 36 | 72 Ų | 72 | 19% | 0.188 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.7 | -44 | 175.4 | -179.6 | 60.8 | 0 | 0 | 0 | 111.1 | L71 L73 A165 T166 E167 H172 L173 | L71-L169 HydrophobicContact CD2-CD2 4.42Å; L73-L169 HydrophobicContact CB-CD1 3.96Å; L73-L169 HydrophobicContact CD2-CB 4.39Å; L73-L169 HydrophobicContact CD2-CD1 4.33Å; A165-L169 PolarHBondContact O-N 3.46Å; A165-L169 VanDerWaalsContact O-N 3.08Å; T166-L169 PolarHBondContact O-N 2.67Å; E167-L169 VanDerWaalsContact C-N 3.35Å; L169-H172 PolarHBondContact O-N 2.96Å; L169-L173 HydrophobicContact CD1-CD1 4.21Å; L169-L173 HydrophobicContact CD1-CG 4.19Å; L169-L173 HydrophobicContact CG-CD1 4.05Å; L169-L173 HydrophobicContact CG-CG 4.45Å; L169-L173 WeakPolarHBondContact O-CB 3.37Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.44Å; L169-L173 PolarHBondContact O-N 3.28Å |
| 170 | Q | 87.5 | Confident | 87.6 | Confident | 117 Ų | 117 | 77.1 Ų | 77.1 | 55% | 0.547 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 175.2 | -77.5 | 174.8 | -8 | 0 | 0 | 111.7 | T166 E167 H172 L173 C174 | T166-Q170 HydrophobicContact CG2-CG 4.41Å; T166-Q170 WeakPolarHBondContact O-CB 3.31Å; T166-Q170 VanDerWaalsContact O-CG 3.23Å; T166-Q170 WeakPolarHBondContact O-CG 3.35Å; T166-Q170 PolarHBondContact O-N 3.45Å; E167-Q170 PolarHBondContact O-N 2.87Å; Q170-H172 VanDerWaalsContact C-N 3.33Å; Q170-H172 PolarHBondContact O-N 3.25Å; Q170-L173 PolarHBondContact O-N 3.34Å; Q170-C174 VanDerWaalsContact O-CB 3.3Å; Q170-C174 WeakPolarHBondContact O-CB 3.3Å; Q170-C174 PolarHBondContact O-N 2.99Å; Q170-C174 PolarHBondContact O-SG 3.37Å |
| 171 | E | 87.7 | Confident | 87.9 | Confident | 138 Ų | 138 | 74 Ų | 74 | 65% | 0.645 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59.2 | -44.8 | 176 | -173.4 | -175.1 | -173.5 | 0 | 0 | 111.6 | E167 C174 S175 | E167-E171 WeakPolarHBondContact O-CB 3.45Å; E167-E171 PolarHBondContact O-N 3.44Å; E171-C174 PolarHBondContact O-N 3.37Å; E171-S175 WeakPolarHBondContact O-CB 3.38Å; E171-S175 PolarHBondContact O-N 2.92Å |
| 172 | H | 85.9 | Confident | 88.1 | Confident | 42 Ų | 42 | 80.4 Ų | 80.4 | 19% | 0.194 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 177.5 | -178.2 | 48.7 | 0 | 0 | 0 | 112.2 | L73 Q168 L169 Q170 S175 L176 | L73-H172 HydrophobicContact CD2-CB 4.1Å; Q168-H172 WeakPolarHBondContact O-CB 3.47Å; Q168-H172 PolarHBondContact O-N 3.11Å; L169-H172 PolarHBondContact O-N 2.96Å; Q170-H172 VanDerWaalsContact C-N 3.33Å; Q170-H172 PolarHBondContact O-N 3.25Å; H172-S175 PolarHBondContact O-N 3.15Å; H172-L176 WeakPolarHBondContact NE2-CD1 3.46Å; H172-L176 WeakPolarHBondContact O-CG 3.47Å; H172-L176 PolarHBondContact O-N 2.99Å |
| 173 | L | 89.1 | Confident | 88.5 | Confident | 51 Ų | 51 | 81.2 Ų | 81.2 | 27% | 0.267 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 179.3 | -68.7 | 174.5 | 0 | 0 | 0 | 111.4 | P70 L71 L169 Q170 S175 L176 V177 | P70-L173 HydrophobicContact CB-CD2 3.83Å; L71-L173 HydrophobicContact CD2-CD1 4.29Å; L169-L173 HydrophobicContact CD1-CD1 4.21Å; L169-L173 HydrophobicContact CD1-CG 4.19Å; L169-L173 HydrophobicContact CG-CD1 4.05Å; L169-L173 HydrophobicContact CG-CG 4.45Å; L169-L173 WeakPolarHBondContact O-CB 3.37Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.44Å; L169-L173 PolarHBondContact O-N 3.28Å; Q170-L173 PolarHBondContact O-N 3.34Å; L173-S175 VanDerWaalsContact C-N 3.34Å; L173-S175 PolarHBondContact O-N 2.89Å; L173-L176 PolarHBondContact O-N 3.45Å; L173-V177 VanDerWaalsContact O-CG2 3.32Å; L173-V177 WeakPolarHBondContact O-CG2 3.44Å; L173-V177 PolarHBondContact O-N 2.69Å |
| 174 | C | 90.3 | Very high | 89 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 56% | 0.561 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.8 | -45.4 | 174.6 | -75.4 | 0 | 0 | 0 | 0 | 111.5 | Q170 E171 L176 V177 V178 | Q170-C174 VanDerWaalsContact O-CB 3.3Å; Q170-C174 WeakPolarHBondContact O-CB 3.3Å; Q170-C174 PolarHBondContact O-N 2.99Å; Q170-C174 PolarHBondContact O-SG 3.37Å; E171-C174 PolarHBondContact O-N 3.37Å; C174-L176 VanDerWaalsContact C-N 3.34Å; C174-L176 PolarHBondContact O-N 3.24Å; C174-V177 PolarHBondContact O-N 3.03Å; C174-V178 WeakPolarHBondContact O-CB 3.32Å; C174-V178 VanDerWaalsContact O-CG2 3.28Å; C174-V178 WeakPolarHBondContact O-CG2 3.48Å; C174-V178 PolarHBondContact O-N 2.91Å |
| 175 | S | 87.4 | Confident | 89.6 | Confident | 83 Ų | 83 | 86.8 Ų | 86.8 | 58% | 0.58 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.9 | -41.1 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | E171 H172 L173 G179 | E171-S175 WeakPolarHBondContact O-CB 3.38Å; E171-S175 PolarHBondContact O-N 2.92Å; H172-S175 PolarHBondContact O-N 3.15Å; L173-S175 VanDerWaalsContact C-N 3.34Å; L173-S175 PolarHBondContact O-N 2.89Å; S175-G179 PolarHBondContact O-N 3.45Å |
| 176 | L | 88.6 | Confident | 90.3 | Very high | 74 Ų | 74 | 87.4 Ų | 87.4 | 39% | 0.387 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 176.7 | -74.6 | 177.3 | 0 | 0 | 0 | 111.4 | H172 L173 C174 V178 G179 L180 | H172-L176 WeakPolarHBondContact NE2-CD1 3.46Å; H172-L176 WeakPolarHBondContact O-CG 3.47Å; H172-L176 PolarHBondContact O-N 2.99Å; L173-L176 PolarHBondContact O-N 3.45Å; C174-L176 VanDerWaalsContact C-N 3.34Å; C174-L176 PolarHBondContact O-N 3.24Å; L176-V178 PolarHBondContact O-N 3.45Å; L176-G179 PolarHBondContact O-N 3.41Å; L176-L180 WeakPolarHBondContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CG 3.34Å; L176-L180 PolarHBondContact O-N 2.95Å |
| 177 | V | 91 | Very high | 90.9 | Very high | 89 Ų | 89 | 86.6 Ų | 86.6 | 54% | 0.539 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 179.7 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | L173 C174 T181 | L173-V177 VanDerWaalsContact O-CG2 3.32Å; L173-V177 WeakPolarHBondContact O-CG2 3.44Å; L173-V177 PolarHBondContact O-N 2.69Å; C174-V177 PolarHBondContact O-N 3.03Å; V177-T181 VanDerWaalsContact O-CB 3.23Å; V177-T181 WeakPolarHBondContact O-CB 3.23Å; V177-T181 PolarHBondContact O-N 2.88Å; V177-T181 PolarHBondContact O-OG1 2.93Å |
| 178 | V | 92.9 | Very high | 91.4 | Very high | 81 Ų | 81 | 84.7 Ų | 84.7 | 49% | 0.491 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 176.6 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | C174 L176 T181 R182 | C174-V178 WeakPolarHBondContact O-CB 3.32Å; C174-V178 VanDerWaalsContact O-CG2 3.28Å; C174-V178 WeakPolarHBondContact O-CG2 3.48Å; C174-V178 PolarHBondContact O-N 2.91Å; L176-V178 PolarHBondContact O-N 3.45Å; V178-T181 PolarHBondContact O-N 3.02Å; V178-R182 WeakPolarHBondContact O-CB 3.46Å; V178-R182 PolarHBondContact O-N 3.2Å |
| 179 | G | 91.1 | Very high | 92 | Very high | 27 Ų | 27 | 86.5 Ų | 86.5 | 28% | 0.278 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.9 | -54.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S175 L176 T181 R182 E183 | S175-G179 PolarHBondContact O-N 3.45Å; L176-G179 PolarHBondContact O-N 3.41Å; G179-T181 VanDerWaalsContact C-N 3.32Å; G179-T181 PolarHBondContact O-N 3.24Å; G179-R182 WeakPolarHBondContact O-CB 3.46Å; G179-R182 PolarHBondContact O-N 3.04Å; G179-E183 PolarHBondContact O-N 3.49Å |
| 180 | L | 91.9 | Very high | 92.5 | Very high | 110 Ų | 110 | 90 Ų | 90 | 58% | 0.576 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.3 | -37.1 | 179.7 | -68.9 | 172.6 | 0 | 0 | 0 | 112.2 | L176 R184 | L176-L180 WeakPolarHBondContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CG 3.34Å; L176-L180 PolarHBondContact O-N 2.95Å; L180-R184 VanDerWaalsContact O-CB 3.31Å; L180-R184 WeakPolarHBondContact O-CB 3.38Å; L180-R184 PolarHBondContact O-N 2.93Å |
| 181 | T | 94.9 | Very high | 93 | Very high | 64 Ų | 64 | 90 Ų | 90 | 39% | 0.393 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.3 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | V177 V178 G179 R184 T185 | V177-T181 VanDerWaalsContact O-CB 3.23Å; V177-T181 WeakPolarHBondContact O-CB 3.23Å; V177-T181 PolarHBondContact O-N 2.88Å; V177-T181 PolarHBondContact O-OG1 2.93Å; V178-T181 PolarHBondContact O-N 3.02Å; G179-T181 VanDerWaalsContact C-N 3.32Å; G179-T181 PolarHBondContact O-N 3.24Å; T181-R184 PolarHBondContact O-N 3.37Å; T181-T185 WeakPolarHBondContact O-CG2 3.46Å; T181-T185 PolarHBondContact O-N 2.7Å; T181-T185 PolarHBondContact O-OG1 2.9Å |
| 182 | R | 94.7 | Very high | 93.4 | Very high | 138 Ų | 138 | 90 Ų | 90 | 52% | 0.521 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -50.7 | 176.4 | -173.5 | -173.4 | -61 | 104.3 | -1.5 | 111.4 | V178 G179 R184 T185 D186 | V178-R182 WeakPolarHBondContact O-CB 3.46Å; V178-R182 PolarHBondContact O-N 3.2Å; G179-R182 WeakPolarHBondContact O-CB 3.46Å; G179-R182 PolarHBondContact O-N 3.04Å; R182-R184 VanDerWaalsContact C-N 3.31Å; R182-R184 PolarHBondContact O-N 3.07Å; R182-T185 WeakPolarHBondContact CA-OG1 3.31Å; R182-T185 PolarHBondContact O-N 3.37Å; R182-T185 PolarHBondContact O-OG1 2.7Å; R182-D186 PolarHBondContact O-N 3.3Å |
| 183 | E | 95.3 | Very high | 93.9 | Very high | 112 Ų | 112 | 93.6 Ų | 93.6 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.6 | -46 | 177.5 | -175.1 | 178.8 | -176.4 | 0 | 0 | 111.5 | G179 T185 D186 L187 | G179-E183 PolarHBondContact O-N 3.49Å; E183-T185 VanDerWaalsContact C-N 3.32Å; E183-T185 PolarHBondContact O-N 3.47Å; E183-D186 PolarHBondContact O-N 3.25Å; E183-L187 HydrophobicContact CG-CD1 4.01Å; E183-L187 HydrophobicContact CG-CG 4.43Å; E183-L187 WeakPolarHBondContact O-CB 3.35Å; E183-L187 WeakPolarHBondContact O-CG 3.42Å; E183-L187 PolarHBondContact O-N 3.08Å |
| 184 | R | 95.5 | Very high | 94.3 | Very high | 141 Ų | 141 | 96.3 Ų | 96.3 | 53% | 0.532 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 175.4 | -175 | -87.5 | -63.4 | -176 | -3.5 | 111.8 | L180 T181 R182 Q188 | L180-R184 VanDerWaalsContact O-CB 3.31Å; L180-R184 WeakPolarHBondContact O-CB 3.38Å; L180-R184 PolarHBondContact O-N 2.93Å; T181-R184 PolarHBondContact O-N 3.37Å; R182-R184 VanDerWaalsContact C-N 3.31Å; R182-R184 PolarHBondContact O-N 3.07Å; R184-Q188 WeakPolarHBondContact O-CB 3.21Å; R184-Q188 PolarHBondContact O-N 2.97Å |
| 185 | T | 95.8 | Very high | 94.6 | Very high | 44 Ų | 44 | 95.7 Ų | 95.7 | 27% | 0.27 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.7 | -35.5 | 178.5 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | T181 R182 E183 K189 | T181-T185 WeakPolarHBondContact O-CG2 3.46Å; T181-T185 PolarHBondContact O-N 2.7Å; T181-T185 PolarHBondContact O-OG1 2.9Å; R182-T185 WeakPolarHBondContact CA-OG1 3.31Å; R182-T185 PolarHBondContact O-N 3.37Å; R182-T185 PolarHBondContact O-OG1 2.7Å; E183-T185 VanDerWaalsContact C-N 3.32Å; E183-T185 PolarHBondContact O-N 3.47Å; T185-K189 WeakPolarHBondContact O-CG 3.4Å; T185-K189 PolarHBondContact O-N 3.01Å; T185-K189 VanDerWaalsContact O-N 3.08Å |
| 186 | D | 95.9 | Very high | 95 | Very high | 67 Ų | 67 | 95 Ų | 95 | 36% | 0.358 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74 | -42.7 | 179.9 | -68.3 | -25.1 | 0 | 0 | 0 | 111.1 | R182 E183 Q188 K189 Q190 | R182-D186 PolarHBondContact O-N 3.3Å; E183-D186 PolarHBondContact O-N 3.25Å; D186-Q188 VanDerWaalsContact C-N 3.32Å; D186-Q188 PolarHBondContact O-N 3.45Å; D186-K189 PolarHBondContact O-N 2.97Å; D186-K189 IonicContact OD1-NZ 3.27Å; D186-Q190 WeakPolarHBondContact O-CG 3.33Å; D186-Q190 PolarHBondContact O-N 3.21Å |
| 187 | L | 96.7 | Very high | 95.4 | Very high | 84 Ų | 84 | 97.3 Ų | 97.3 | 44% | 0.44 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 171.6 | -71.4 | 174.6 | 0 | 0 | 0 | 111.6 | E183 K189 Q190 I191 | E183-L187 HydrophobicContact CG-CD1 4.01Å; E183-L187 HydrophobicContact CG-CG 4.43Å; E183-L187 WeakPolarHBondContact O-CB 3.35Å; E183-L187 WeakPolarHBondContact O-CG 3.42Å; E183-L187 PolarHBondContact O-N 3.08Å; L187-K189 VanDerWaalsContact C-N 3.33Å; L187-K189 PolarHBondContact O-N 3.29Å; L187-Q190 PolarHBondContact O-N 3Å; L187-I191 VanDerWaalsContact O-CG1 3.3Å; L187-I191 WeakPolarHBondContact O-CG1 3.3Å; L187-I191 PolarHBondContact O-N 3.12Å |
| 188 | Q | 96.8 | Very high | 95.7 | Very high | 113 Ų | 113 | 98.8 Ų | 98.8 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 177.6 | -173.5 | 171.6 | 10.2 | 0 | 0 | 112.3 | R184 D186 F192 | R184-Q188 WeakPolarHBondContact O-CB 3.21Å; R184-Q188 PolarHBondContact O-N 2.97Å; D186-Q188 VanDerWaalsContact C-N 3.32Å; D186-Q188 PolarHBondContact O-N 3.45Å; Q188-F192 PolarHBondContact O-N 2.97Å; Q188-F192 VanDerWaalsContact O-N 3.12Å |
| 189 | K | 96.3 | Very high | 95.9 | Very high | 122 Ų | 122 | 99.7 Ų | 99.7 | 53% | 0.53 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 174.2 | -72.7 | 169 | -172 | 166.5 | 0 | 112.1 | T185 D186 L187 F192 Q193 | T185-K189 WeakPolarHBondContact O-CG 3.4Å; T185-K189 PolarHBondContact O-N 3.01Å; T185-K189 VanDerWaalsContact O-N 3.08Å; D186-K189 PolarHBondContact O-N 2.97Å; D186-K189 IonicContact OD1-NZ 3.27Å; L187-K189 VanDerWaalsContact C-N 3.33Å; L187-K189 PolarHBondContact O-N 3.29Å; K189-F192 PolarHBondContact O-N 3.41Å; K189-Q193 WeakPolarHBondContact O-CG 3.5Å; K189-Q193 PolarHBondContact O-N 3.27Å |
| 190 | Q | 97.7 | Very high | 96.2 | Very high | 109 Ų | 109 | 105.3 Ų | 105.3 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -45 | 177.9 | -73.1 | 176.8 | 15 | 0 | 0 | 111.4 | D186 L187 F192 Q193 L194 | D186-Q190 WeakPolarHBondContact O-CG 3.33Å; D186-Q190 PolarHBondContact O-N 3.21Å; L187-Q190 PolarHBondContact O-N 3Å; Q190-F192 VanDerWaalsContact C-N 3.32Å; Q190-F192 PolarHBondContact O-N 3.31Å; Q190-Q193 PolarHBondContact O-N 3.42Å; Q190-L194 WeakPolarHBondContact O-CB 3.37Å; Q190-L194 WeakPolarHBondContact O-CG 3.39Å; Q190-L194 PolarHBondContact O-N 2.92Å |
| 191 | I | 96.7 | Very high | 96.4 | Very high | 117 Ų | 117 | 104.7 Ų | 104.7 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.2 | -44.6 | 176.4 | -70.9 | 167.5 | 0 | 0 | 0 | 110.8 | L187 L194 D195 | L187-I191 VanDerWaalsContact O-CG1 3.3Å; L187-I191 WeakPolarHBondContact O-CG1 3.3Å; L187-I191 PolarHBondContact O-N 3.12Å; I191-L194 PolarHBondContact O-N 3.46Å; I191-D195 WeakPolarHBondContact O-CB 3.34Å; I191-D195 PolarHBondContact O-N 2.99Å |
| 192 | F | 96.5 | Very high | 96.5 | Very high | 139 Ų | 139 | 108 Ų | 108 | 61% | 0.61 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 178.7 | -178.3 | -96 | 0 | 0 | 0 | 112.7 | Q188 K189 Q190 D195 E196 | Q188-F192 PolarHBondContact O-N 2.97Å; Q188-F192 VanDerWaalsContact O-N 3.12Å; K189-F192 PolarHBondContact O-N 3.41Å; Q190-F192 VanDerWaalsContact C-N 3.32Å; Q190-F192 PolarHBondContact O-N 3.31Å; F192-D195 PolarHBondContact O-N 3.45Å; F192-E196 HydrophobicContact CE1-CG 4.24Å; F192-E196 HydrophobicContact CZ-CG 4.17Å; F192-E196 PolarHBondContact O-N 2.99Å; F192-E196 VanDerWaalsContact O-N 3.17Å |
| 193 | Q | 96.7 | Very high | 96.6 | Very high | 117 Ų | 117 | 107.5 Ų | 107.5 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 177 | -73.5 | 173.4 | -6.8 | 0 | 0 | 111.6 | K189 Q190 D195 E196 E197 | K189-Q193 WeakPolarHBondContact O-CG 3.5Å; K189-Q193 PolarHBondContact O-N 3.27Å; Q190-Q193 PolarHBondContact O-N 3.42Å; Q193-D195 VanDerWaalsContact C-N 3.32Å; Q193-D195 PolarHBondContact O-N 3.31Å; Q193-E196 PolarHBondContact O-N 3.42Å; Q193-E197 WeakPolarHBondContact O-CG 3.42Å; Q193-E197 PolarHBondContact O-N 3.17Å |
| 194 | L | 97 | Very high | 96.7 | Very high | 109 Ų | 109 | 108 Ų | 108 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.7 | -37.6 | 178.4 | -72 | 172.2 | 0 | 0 | 0 | 112.4 | Q190 I191 E197 L198 | Q190-L194 WeakPolarHBondContact O-CB 3.37Å; Q190-L194 WeakPolarHBondContact O-CG 3.39Å; Q190-L194 PolarHBondContact O-N 2.92Å; I191-L194 PolarHBondContact O-N 3.46Å; L194-E197 PolarHBondContact O-N 3.23Å; L194-L198 VanDerWaalsContact O-CB 3.26Å; L194-L198 WeakPolarHBondContact O-CB 3.43Å; L194-L198 PolarHBondContact O-N 3.15Å |
| 195 | D | 97.3 | Very high | 96.8 | Very high | 70 Ų | 70 | 105.6 Ų | 105.6 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 177.2 | -174.6 | 59.7 | 0 | 0 | 0 | 112.2 | I191 F192 Q193 L198 K199 | I191-D195 WeakPolarHBondContact O-CB 3.34Å; I191-D195 PolarHBondContact O-N 2.99Å; F192-D195 PolarHBondContact O-N 3.45Å; Q193-D195 VanDerWaalsContact C-N 3.32Å; Q193-D195 PolarHBondContact O-N 3.31Å; D195-L198 PolarHBondContact O-N 2.97Å; D195-K199 VanDerWaalsContact O-CG 3.31Å; D195-K199 WeakPolarHBondContact O-CG 3.26Å; D195-K199 PolarHBondContact O-N 2.9Å; D195-K199 WeakPolarHBondContact OD2-CE 3.43Å; D195-K199 IonicContact OD2-NZ 3.49Å; D195-K199 PolarHBondContact OD2-NZ 2.68Å |
| 196 | E | 96.5 | Very high | 96.8 | Very high | 69 Ų | 69 | 107.7 Ų | 107.7 | 32% | 0.322 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.9 | -36.7 | 175.9 | -77.9 | -61.8 | 122.3 | 0 | 0 | 112.8 | F192 Q193 K199 K200 | F192-E196 HydrophobicContact CE1-CG 4.24Å; F192-E196 HydrophobicContact CZ-CG 4.17Å; F192-E196 PolarHBondContact O-N 2.99Å; F192-E196 VanDerWaalsContact O-N 3.17Å; Q193-E196 PolarHBondContact O-N 3.42Å; E196-K199 WeakPolarHBondContact OE1-CD 3.14Å; E196-K199 IonicContact OE1-NZ 2.66Å; E196-K199 PolarHBondContact OE1-NZ 3.47Å; E196-K200 WeakPolarHBondContact O-CG 3.31Å; E196-K200 PolarHBondContact O-N 3.42Å; E196-K200 VanDerWaalsContact O-N 3.15Å |
| 197 | E | 97.1 | Very high | 96.8 | Very high | 122 Ų | 122 | 109.7 Ų | 109.7 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 172.1 | -74.1 | 177.5 | -178.5 | 0 | 0 | 111.5 | Q193 L194 K199 K200 E201 | Q193-E197 WeakPolarHBondContact O-CG 3.42Å; Q193-E197 PolarHBondContact O-N 3.17Å; L194-E197 PolarHBondContact O-N 3.23Å; E197-K199 PolarHBondContact O-N 3.44Å; E197-K200 PolarHBondContact O-N 3Å; E197-E201 PolarHBondContact O-N 3.48Å |
| 198 | L | 96.7 | Very high | 96.9 | Very high | 120 Ų | 120 | 108.7 Ų | 108.7 | 63% | 0.628 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -42 | 178.3 | -174.4 | 67.3 | 0 | 0 | 0 | 111.9 | L194 D195 E201 K202 | L194-L198 VanDerWaalsContact O-CB 3.26Å; L194-L198 WeakPolarHBondContact O-CB 3.43Å; L194-L198 PolarHBondContact O-N 3.15Å; D195-L198 PolarHBondContact O-N 2.97Å; L198-E201 PolarHBondContact O-N 2.9Å; L198-K202 VanDerWaalsContact O-CB 3.25Å; L198-K202 WeakPolarHBondContact O-CB 3.25Å; L198-K202 PolarHBondContact O-N 3.13Å |
| 199 | K | 97 | Very high | 96.9 | Very high | 100 Ų | 100 | 106 Ų | 106 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 175.6 | -76.8 | 166.4 | 179.9 | 158.6 | 0 | 112.5 | D195 E196 E197 K203 | D195-K199 VanDerWaalsContact O-CG 3.31Å; D195-K199 WeakPolarHBondContact O-CG 3.26Å; D195-K199 PolarHBondContact O-N 2.9Å; D195-K199 WeakPolarHBondContact OD2-CE 3.43Å; D195-K199 IonicContact OD2-NZ 3.49Å; D195-K199 PolarHBondContact OD2-NZ 2.68Å; E196-K199 WeakPolarHBondContact OE1-CD 3.14Å; E196-K199 IonicContact OE1-NZ 2.66Å; E196-K199 PolarHBondContact OE1-NZ 3.47Å; E197-K199 PolarHBondContact O-N 3.44Å; K199-K203 PolarHBondContact O-N 2.95Å |
| 200 | K | 96.7 | Very high | 96.9 | Very high | 144 Ų | 144 | 106.5 Ų | 106.5 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.9 | -46.5 | 177.9 | -74.7 | 173.9 | -174.3 | 173.9 | 0 | 111.5 | E196 E197 K203 K204 | E196-K200 WeakPolarHBondContact O-CG 3.31Å; E196-K200 PolarHBondContact O-N 3.42Å; E196-K200 VanDerWaalsContact O-N 3.15Å; E197-K200 PolarHBondContact O-N 3Å; K200-K203 PolarHBondContact O-N 3.35Å; K200-K204 PolarHBondContact O-N 3.08Å; K200-K204 VanDerWaalsContact O-N 3.08Å |
| 201 | E | 96.7 | Very high | 96.9 | Very high | 98 Ų | 98 | 105.7 Ų | 105.7 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 179.2 | -162.6 | 61.1 | -154.4 | 0 | 0 | 111.2 | E197 L198 K203 K204 E205 | E197-E201 PolarHBondContact O-N 3.48Å; L198-E201 PolarHBondContact O-N 2.9Å; E201-K203 PolarHBondContact O-N 3.03Å; E201-K204 PolarHBondContact O-N 3.34Å; E201-K204 IonicContact OE1-NZ 2.65Å; E201-K204 PolarHBondContact OE1-NZ 3.49Å; E201-K204 VanDerWaalsContact OE1-NZ 3.13Å; E201-K204 IonicContact OE2-NZ 3.53Å; E201-E205 PolarHBondContact O-N 3.04Å |
| 202 | K | 96.9 | Very high | 96.8 | Very high | 132 Ų | 132 | 104.6 Ų | 104.6 | 57% | 0.574 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.1 | -47.3 | 173.6 | -179.2 | 178.5 | 174.4 | -178.8 | 0 | 112 | L198 K204 E205 E206 | L198-K202 VanDerWaalsContact O-CB 3.25Å; L198-K202 WeakPolarHBondContact O-CB 3.25Å; L198-K202 PolarHBondContact O-N 3.13Å; K202-K204 PolarHBondContact O-N 3.02Å; K202-E205 PolarHBondContact O-N 3.35Å; K202-E206 WeakPolarHBondContact CE-OE1 3.04Å; K202-E206 WeakPolarHBondContact O-CG 3.4Å; K202-E206 PolarHBondContact O-N 2.95Å |
| 203 | K | 97.4 | Very high | 96.9 | Very high | 129 Ų | 129 | 103.6 Ų | 103.6 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 179 | -177.1 | -178.6 | 174.4 | -173.6 | 0 | 111.8 | K199 K200 E201 E205 E206 E207 | K199-K203 PolarHBondContact O-N 2.95Å; K200-K203 PolarHBondContact O-N 3.35Å; E201-K203 PolarHBondContact O-N 3.03Å; K203-E205 VanDerWaalsContact C-N 3.33Å; K203-E205 PolarHBondContact O-N 3.42Å; K203-E206 PolarHBondContact O-N 3.49Å; K203-E207 WeakPolarHBondContact CE-OE1 3.43Å; K203-E207 WeakPolarHBondContact O-CG 3.48Å; K203-E207 PolarHBondContact O-N 2.94Å |
| 204 | K | 97.1 | Very high | 96.9 | Very high | 122 Ų | 122 | 103.8 Ų | 103.8 | 53% | 0.53 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 178 | -179.6 | -174.8 | 162.9 | -149 | 0 | 111.6 | K200 E201 K202 E207 N208 | K200-K204 PolarHBondContact O-N 3.08Å; K200-K204 VanDerWaalsContact O-N 3.08Å; E201-K204 PolarHBondContact O-N 3.34Å; E201-K204 IonicContact OE1-NZ 2.65Å; E201-K204 PolarHBondContact OE1-NZ 3.49Å; E201-K204 VanDerWaalsContact OE1-NZ 3.13Å; E201-K204 IonicContact OE2-NZ 3.53Å; K202-K204 PolarHBondContact O-N 3.02Å; K204-E207 PolarHBondContact O-N 3.41Å; K204-N208 WeakPolarHBondContact O-CB 3.14Å; K204-N208 PolarHBondContact O-N 3.28Å |
| 205 | E | 96.3 | Very high | 96.9 | Very high | 90 Ų | 90 | 104 Ų | 104 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.2 | -39.8 | 177.3 | -168.8 | 57.7 | -156.9 | 0 | 0 | 112 | E201 K202 K203 E207 N208 V209 | E201-E205 PolarHBondContact O-N 3.04Å; K202-E205 PolarHBondContact O-N 3.35Å; K203-E205 VanDerWaalsContact C-N 3.33Å; K203-E205 PolarHBondContact O-N 3.42Å; E205-E207 VanDerWaalsContact C-N 3.31Å; E205-E207 PolarHBondContact O-N 2.95Å; E205-N208 WeakPolarHBondContact O-CB 3.47Å; E205-N208 PolarHBondContact O-N 3.2Å; E205-V209 WeakPolarHBondContact O-CG2 3.26Å; E205-V209 PolarHBondContact O-N 3.38Å |
| 206 | E | 96.9 | Very high | 96.9 | Very high | 89 Ų | 89 | 105.2 Ų | 105.2 | 42% | 0.416 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -38.3 | 173.6 | -75.2 | 176.1 | -177.7 | 0 | 0 | 112.6 | K202 K203 K210 | K202-E206 WeakPolarHBondContact CE-OE1 3.04Å; K202-E206 WeakPolarHBondContact O-CG 3.4Å; K202-E206 PolarHBondContact O-N 2.95Å; K203-E206 PolarHBondContact O-N 3.49Å; E206-K210 VanDerWaalsContact O-CG 3.26Å; E206-K210 WeakPolarHBondContact O-CG 3.38Å; E206-K210 PolarHBondContact O-N 3.33Å; E206-K210 VanDerWaalsContact O-N 3.14Å |
| 207 | E | 96.7 | Very high | 96.9 | Very high | 108 Ų | 108 | 105.1 Ų | 105.1 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.2 | -40.4 | 174.6 | -72.4 | 172.7 | -179.6 | 0 | 0 | 111.9 | K203 K204 E205 K210 L211 | K203-E207 WeakPolarHBondContact CE-OE1 3.43Å; K203-E207 WeakPolarHBondContact O-CG 3.48Å; K203-E207 PolarHBondContact O-N 2.94Å; K204-E207 PolarHBondContact O-N 3.41Å; E205-E207 VanDerWaalsContact C-N 3.31Å; E205-E207 PolarHBondContact O-N 2.95Å; E207-K210 PolarHBondContact O-N 3.19Å; E207-L211 PolarHBondContact O-N 3.46Å |
| 208 | N | 96.8 | Very high | 96.8 | Very high | 64 Ų | 64 | 101.9 Ų | 101.9 | 34% | 0.342 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 175.8 | -172.7 | 14.5 | 0 | 0 | 0 | 111.8 | K204 E205 K210 L211 Q212 | K204-N208 WeakPolarHBondContact O-CB 3.14Å; K204-N208 PolarHBondContact O-N 3.28Å; E205-N208 WeakPolarHBondContact O-CB 3.47Å; E205-N208 PolarHBondContact O-N 3.2Å; N208-K210 PolarHBondContact O-N 3.07Å; N208-L211 WeakPolarHBondContact O-CB 3.49Å; N208-L211 PolarHBondContact O-N 3.45Å; N208-Q212 WeakPolarHBondContact O-CG 3.33Å; N208-Q212 PolarHBondContact O-N 2.87Å; N208-Q212 PolarHBondContact OD1-NE2 2.86Å |
| 209 | V | 97.2 | Very high | 96.8 | Very high | 57 Ų | 57 | 99.1 Ų | 99.1 | 35% | 0.345 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.2 | -47 | 176.2 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | E205 L211 Q212 E213 | E205-V209 WeakPolarHBondContact O-CG2 3.26Å; E205-V209 PolarHBondContact O-N 3.38Å; V209-L211 VanDerWaalsContact C-N 3.29Å; V209-L211 PolarHBondContact O-N 3.16Å; V209-Q212 PolarHBondContact O-N 3.33Å; V209-Q212 VanDerWaalsContact O-N 3.16Å; V209-E213 HydrophobicContact CG1-CG 4.28Å; V209-E213 WeakPolarHBondContact O-CB 3.35Å; V209-E213 WeakPolarHBondContact O-CG 3.45Å; V209-E213 PolarHBondContact O-N 3.11Å |
| 210 | K | 96.9 | Very high | 96.8 | Very high | 131 Ų | 131 | 103.1 Ų | 103.1 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.8 | -40.1 | 176.8 | -74.6 | 169.3 | -174.6 | 170.1 | 0 | 112.5 | E206 E207 N208 L214 | E206-K210 VanDerWaalsContact O-CG 3.26Å; E206-K210 WeakPolarHBondContact O-CG 3.38Å; E206-K210 PolarHBondContact O-N 3.33Å; E206-K210 VanDerWaalsContact O-N 3.14Å; E207-K210 PolarHBondContact O-N 3.19Å; N208-K210 PolarHBondContact O-N 3.07Å; K210-L214 PolarHBondContact O-N 3.14Å; K210-L214 VanDerWaalsContact O-N 3.11Å |
| 211 | L | 96.7 | Very high | 96.8 | Very high | 93 Ų | 93 | 102.4 Ų | 102.4 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 176.6 | 178.8 | 62.2 | 0 | 0 | 0 | 111.4 | E207 N208 V209 L214 Q215 | E207-L211 PolarHBondContact O-N 3.46Å; N208-L211 WeakPolarHBondContact O-CB 3.49Å; N208-L211 PolarHBondContact O-N 3.45Å; V209-L211 VanDerWaalsContact C-N 3.29Å; V209-L211 PolarHBondContact O-N 3.16Å; L211-L214 PolarHBondContact O-N 3.03Å; L211-Q215 WeakPolarHBondContact O-CG 3.37Å; L211-Q215 PolarHBondContact O-N 3.37Å |
| 212 | Q | 96.6 | Very high | 96.9 | Very high | 93 Ų | 93 | 105.1 Ų | 105.1 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 178 | -70.3 | -179.7 | 1.4 | 0 | 0 | 112.2 | N208 V209 L214 Q215 L216 | N208-Q212 WeakPolarHBondContact O-CG 3.33Å; N208-Q212 PolarHBondContact O-N 2.87Å; N208-Q212 PolarHBondContact OD1-NE2 2.86Å; V209-Q212 PolarHBondContact O-N 3.33Å; V209-Q212 VanDerWaalsContact O-N 3.16Å; Q212-L214 PolarHBondContact O-N 2.85Å; Q212-Q215 PolarHBondContact O-N 3.49Å; Q212-L216 WeakPolarHBondContact O-CB 3.35Å; Q212-L216 WeakPolarHBondContact O-CG 3.5Å; Q212-L216 PolarHBondContact O-N 3.48Å |
| 213 | E | 97 | Very high | 96.9 | Very high | 119 Ų | 119 | 104.9 Ų | 104.9 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.4 | -44.2 | 175 | -75.1 | 178.1 | 161.2 | 0 | 0 | 111.8 | V209 Q215 L216 D217 | V209-E213 HydrophobicContact CG1-CG 4.28Å; V209-E213 WeakPolarHBondContact O-CB 3.35Å; V209-E213 WeakPolarHBondContact O-CG 3.45Å; V209-E213 PolarHBondContact O-N 3.11Å; E213-Q215 PolarHBondContact O-N 2.73Å; E213-L216 PolarHBondContact O-N 2.9Å; E213-D217 WeakPolarHBondContact O-CB 3.46Å; E213-D217 PolarHBondContact O-N 3.35Å |
| 214 | L | 97.1 | Very high | 96.9 | Very high | 120 Ų | 120 | 102.7 Ų | 102.7 | 63% | 0.628 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 176.2 | -171.8 | 72.3 | 0 | 0 | 0 | 111.7 | K210 L211 Q212 D217 S218 | K210-L214 PolarHBondContact O-N 3.14Å; K210-L214 VanDerWaalsContact O-N 3.11Å; L211-L214 PolarHBondContact O-N 3.03Å; Q212-L214 PolarHBondContact O-N 2.85Å; L214-D217 PolarHBondContact O-N 2.99Å; L214-S218 PolarHBondContact O-N 2.97Å |
| 215 | Q | 97 | Very high | 96.9 | Very high | 114 Ų | 114 | 103.2 Ų | 103.2 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 176.1 | -73.7 | 179.2 | -13 | 0 | 0 | 111.6 | L211 Q212 E213 D217 S218 L219 | L211-Q215 WeakPolarHBondContact O-CG 3.37Å; L211-Q215 PolarHBondContact O-N 3.37Å; Q212-Q215 PolarHBondContact O-N 3.49Å; E213-Q215 PolarHBondContact O-N 2.73Å; Q215-D217 PolarHBondContact O-N 3.32Å; Q215-S218 PolarHBondContact O-N 3.49Å; Q215-S218 PolarHBondContact O-OG 3.27Å; Q215-L219 WeakPolarHBondContact O-CB 3.4Å; Q215-L219 PolarHBondContact O-N 3.44Å |
| 216 | L | 96.7 | Very high | 96.9 | Very high | 95 Ų | 95 | 102.1 Ų | 102.1 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 176.8 | -74.6 | 174.4 | 0 | 0 | 0 | 112 | Q212 E213 L219 R220 | Q212-L216 WeakPolarHBondContact O-CB 3.35Å; Q212-L216 WeakPolarHBondContact O-CG 3.5Å; Q212-L216 PolarHBondContact O-N 3.48Å; E213-L216 PolarHBondContact O-N 2.9Å; L216-L219 PolarHBondContact O-N 2.85Å; L216-R220 WeakPolarHBondContact O-CB 3.36Å; L216-R220 VanDerWaalsContact O-CG 3.23Å; L216-R220 WeakPolarHBondContact O-CG 3.23Å; L216-R220 PolarHBondContact O-N 3.32Å |
| 217 | D | 96.6 | Very high | 97 | Very high | 68 Ų | 68 | 101.4 Ų | 101.4 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 175.9 | -176.1 | 59.2 | 0 | 0 | 0 | 111.6 | E213 L214 Q215 L219 R220 K221 | E213-D217 WeakPolarHBondContact O-CB 3.46Å; E213-D217 PolarHBondContact O-N 3.35Å; L214-D217 PolarHBondContact O-N 2.99Å; Q215-D217 PolarHBondContact O-N 3.32Å; D217-L219 VanDerWaalsContact C-N 3.28Å; D217-L219 PolarHBondContact O-N 3.42Å; D217-R220 PolarHBondContact O-N 2.93Å; D217-K221 WeakPolarHBondContact O-CB 3.27Å; D217-K221 WeakPolarHBondContact O-CG 3.28Å; D217-K221 PolarHBondContact O-N 3.1Å; D217-K221 IonicContact OD1-NZ 3.57Å; D217-K221 WeakPolarHBondContact OD2-CE 3.18Å; D217-K221 IonicContact OD2-NZ 3.47Å; D217-K221 PolarHBondContact OD2-NZ 2.66Å |
| 218 | S | 96.7 | Very high | 97 | Very high | 53 Ų | 53 | 98.9 Ų | 98.9 | 37% | 0.371 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 176.1 | 80.9 | 0 | 0 | 0 | 0 | 112.5 | L214 Q215 R222 | L214-S218 PolarHBondContact O-N 2.97Å; Q215-S218 PolarHBondContact O-N 3.49Å; Q215-S218 PolarHBondContact O-OG 3.27Å; S218-R222 WeakPolarHBondContact O-CG 3.45Å; S218-R222 PolarHBondContact O-N 2.83Å; S218-R222 VanDerWaalsContact O-N 3.1Å |
| 219 | L | 96 | Very high | 97 | Very high | 63 Ų | 63 | 99.9 Ų | 99.9 | 33% | 0.33 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.1 | -41.5 | -179.9 | -171.9 | 63 | 0 | 0 | 0 | 111.1 | Q215 L216 D217 K221 R222 F223 | Q215-L219 WeakPolarHBondContact O-CB 3.4Å; Q215-L219 PolarHBondContact O-N 3.44Å; L216-L219 PolarHBondContact O-N 2.85Å; D217-L219 VanDerWaalsContact C-N 3.28Å; D217-L219 PolarHBondContact O-N 3.42Å; L219-K221 PolarHBondContact O-N 2.89Å; L219-R222 PolarHBondContact O-N 3.3Å; L219-F223 HydrophobicContact CD1-CD2 4.1Å; L219-F223 HydrophobicContact CD1-CE2 3.6Å; L219-F223 HydrophobicContact CD1-CZ 4.01Å; L219-F223 HydrophobicContact CD2-CE2 3.86Å; L219-F223 HydrophobicContact CG-CD2 3.77Å; L219-F223 HydrophobicContact CG-CE2 3.43Å; L219-F223 VanDerWaalsContact CG-CE2 3.43Å; L219-F223 HydrophobicContact CG-CZ 4.32Å; L219-F223 VanDerWaalsContact O-CD2 3.27Å; L219-F223 WeakPolarHBondContact O-CD2 3.41Å; L219-F223 PolarHBondContact O-N 3.48Å |
| 220 | R | 97.1 | Very high | 97 | Very high | 183 Ų | 183 | 102 Ų | 102 | 69% | 0.691 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.4 | -44.2 | 172.8 | -76.5 | 174.3 | -179.4 | -167 | 1.9 | 111.7 | L216 D217 F223 S224 | L216-R220 WeakPolarHBondContact O-CB 3.36Å; L216-R220 VanDerWaalsContact O-CG 3.23Å; L216-R220 WeakPolarHBondContact O-CG 3.23Å; L216-R220 PolarHBondContact O-N 3.32Å; D217-R220 PolarHBondContact O-N 2.93Å; R220-F223 PolarHBondContact O-N 3.35Å; R220-S224 VanDerWaalsContact O-CB 3.28Å; R220-S224 WeakPolarHBondContact O-CB 3.38Å; R220-S224 PolarHBondContact O-N 3.35Å |
| 221 | K | 97.1 | Very high | 97 | Very high | 130 Ų | 130 | 104.5 Ų | 104.5 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.7 | -44.7 | 175.9 | -76.1 | 171 | 177 | 164.5 | 0 | 112.1 | D217 L219 S224 K225 | D217-K221 WeakPolarHBondContact O-CB 3.27Å; D217-K221 WeakPolarHBondContact O-CG 3.28Å; D217-K221 PolarHBondContact O-N 3.1Å; D217-K221 IonicContact OD1-NZ 3.57Å; D217-K221 WeakPolarHBondContact OD2-CE 3.18Å; D217-K221 IonicContact OD2-NZ 3.47Å; D217-K221 PolarHBondContact OD2-NZ 2.66Å; L219-K221 PolarHBondContact O-N 2.89Å; K221-S224 PolarHBondContact O-N 3.45Å; K221-K225 WeakPolarHBondContact O-CB 3.48Å; K221-K225 PolarHBondContact O-N 3.35Å |
| 222 | R | 97.8 | Very high | 97.1 | Very high | 155 Ų | 155 | 105.3 Ų | 105.3 | 59% | 0.585 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.6 | -48.9 | 175.4 | -77.1 | -171.4 | -69.4 | 155.7 | -5.7 | 112 | S218 L219 S224 K225 T226 | S218-R222 WeakPolarHBondContact O-CG 3.45Å; S218-R222 PolarHBondContact O-N 2.83Å; S218-R222 VanDerWaalsContact O-N 3.1Å; L219-R222 PolarHBondContact O-N 3.3Å; R222-S224 PolarHBondContact O-N 3.44Å; R222-K225 PolarHBondContact O-N 2.91Å; R222-T226 PolarHBondContact O-N 3.39Å; R222-T226 PolarHBondContact O-OG1 3.34Å |
| 223 | F | 96.8 | Very high | 97.1 | Very high | 126 Ų | 126 | 106.9 Ų | 106.9 | 55% | 0.553 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.9 | -42.7 | 177.4 | -76.7 | -49.3 | 0 | 0 | 0 | 112.5 | L219 R220 K225 T226 V227 | L219-F223 HydrophobicContact CD1-CD2 4.1Å; L219-F223 HydrophobicContact CD1-CE2 3.6Å; L219-F223 HydrophobicContact CD1-CZ 4.01Å; L219-F223 HydrophobicContact CD2-CE2 3.86Å; L219-F223 HydrophobicContact CG-CD2 3.77Å; L219-F223 HydrophobicContact CG-CE2 3.43Å; L219-F223 VanDerWaalsContact CG-CE2 3.43Å; L219-F223 HydrophobicContact CG-CZ 4.32Å; L219-F223 VanDerWaalsContact O-CD2 3.27Å; L219-F223 WeakPolarHBondContact O-CD2 3.41Å; L219-F223 PolarHBondContact O-N 3.48Å; R220-F223 PolarHBondContact O-N 3.35Å; F223-K225 VanDerWaalsContact C-N 3.29Å; F223-K225 PolarHBondContact O-N 2.95Å; F223-T226 PolarHBondContact O-N 3.21Å; F223-V227 WeakPolarHBondContact O-CB 3.26Å; F223-V227 VanDerWaalsContact O-CG2 3.26Å; F223-V227 WeakPolarHBondContact O-CG2 3.44Å; F223-V227 PolarHBondContact O-N 2.98Å |
| 224 | S | 97.7 | Very high | 97.1 | Very high | 84 Ų | 84 | 107.3 Ų | 107.3 | 59% | 0.587 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.1 | -41.9 | 175.8 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | R220 K221 R222 A228 | R220-S224 VanDerWaalsContact O-CB 3.28Å; R220-S224 WeakPolarHBondContact O-CB 3.38Å; R220-S224 PolarHBondContact O-N 3.35Å; K221-S224 PolarHBondContact O-N 3.45Å; R222-S224 PolarHBondContact O-N 3.44Å; S224-A228 WeakPolarHBondContact O-CB 3.49Å; S224-A228 PolarHBondContact O-N 2.95Å; S224-A228 VanDerWaalsContact O-N 3.09Å |
| 225 | K | 97.2 | Very high | 97.1 | Very high | 132 Ų | 132 | 105.9 Ų | 105.9 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -52 | 176.4 | 179.5 | 178.7 | 170.4 | 179.3 | 0 | 111.4 | K221 R222 F223 V227 A228 E229 | K221-K225 WeakPolarHBondContact O-CB 3.48Å; K221-K225 PolarHBondContact O-N 3.35Å; R222-K225 PolarHBondContact O-N 2.91Å; F223-K225 VanDerWaalsContact C-N 3.29Å; F223-K225 PolarHBondContact O-N 2.95Å; K225-V227 VanDerWaalsContact C-N 3.3Å; K225-V227 PolarHBondContact O-N 3.49Å; K225-A228 WeakPolarHBondContact O-CB 3.46Å; K225-A228 PolarHBondContact O-N 3.15Å; K225-A228 VanDerWaalsContact O-N 3.12Å; K225-E229 WeakPolarHBondContact CE-OE1 3.39Å; K225-E229 HydrophobicContact CG-CG 4.49Å; K225-E229 IonicContact NZ-OE1 2.82Å; K225-E229 WeakPolarHBondContact O-CG 3.34Å; K225-E229 PolarHBondContact O-N 3.12Å |
| 226 | T | 97.4 | Very high | 97.1 | Very high | 68 Ų | 68 | 105.5 Ų | 105.5 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | -179.5 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | R222 F223 E229 L230 | R222-T226 PolarHBondContact O-N 3.39Å; R222-T226 PolarHBondContact O-OG1 3.34Å; F223-T226 PolarHBondContact O-N 3.21Å; T226-E229 PolarHBondContact O-N 2.97Å; T226-L230 HydrophobicContact CG2-CD1 4.04Å; T226-L230 HydrophobicContact CG2-CG 4.5Å; T226-L230 WeakPolarHBondContact O-CB 2.79Å; T226-L230 WeakPolarHBondContact O-CG 3.41Å; T226-L230 PolarHBondContact O-N 3.09Å |
| 227 | V | 97.4 | Very high | 97.2 | Very high | 73 Ų | 73 | 105.4 Ų | 105.4 | 44% | 0.442 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 176.2 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | F223 K225 R231 | F223-V227 WeakPolarHBondContact O-CB 3.26Å; F223-V227 VanDerWaalsContact O-CG2 3.26Å; F223-V227 WeakPolarHBondContact O-CG2 3.44Å; F223-V227 PolarHBondContact O-N 2.98Å; K225-V227 VanDerWaalsContact C-N 3.3Å; K225-V227 PolarHBondContact O-N 3.49Å; V227-R231 WeakPolarHBondContact O-CB 3.44Å; V227-R231 VanDerWaalsContact O-CG 3.23Å; V227-R231 WeakPolarHBondContact O-CG 3.48Å; V227-R231 PolarHBondContact O-N 2.95Å; V227-R231 VanDerWaalsContact O-N 3.08Å |
| 228 | A | 97.1 | Very high | 97.2 | Very high | 55 Ų | 55 | 106.2 Ų | 106.2 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S224 K225 R231 E232 | S224-A228 WeakPolarHBondContact O-CB 3.49Å; S224-A228 PolarHBondContact O-N 2.95Å; S224-A228 VanDerWaalsContact O-N 3.09Å; K225-A228 WeakPolarHBondContact O-CB 3.46Å; K225-A228 PolarHBondContact O-N 3.15Å; K225-A228 VanDerWaalsContact O-N 3.12Å; A228-R231 PolarHBondContact O-N 3.48Å; A228-E232 PolarHBondContact O-N 2.92Å |
| 229 | E | 97.2 | Very high | 97.2 | Very high | 86 Ų | 86 | 106.3 Ų | 106.3 | 40% | 0.402 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 177.1 | -70.9 | 170 | 162.5 | 0 | 0 | 111.5 | K225 T226 R231 E232 E233 | K225-E229 WeakPolarHBondContact CE-OE1 3.39Å; K225-E229 HydrophobicContact CG-CG 4.49Å; K225-E229 IonicContact NZ-OE1 2.82Å; K225-E229 WeakPolarHBondContact O-CG 3.34Å; K225-E229 PolarHBondContact O-N 3.12Å; T226-E229 PolarHBondContact O-N 2.97Å; E229-R231 VanDerWaalsContact C-N 3.31Å; E229-R231 PolarHBondContact O-N 3.08Å; E229-E232 PolarHBondContact O-N 3.3Å; E229-E233 WeakPolarHBondContact O-CG 3.48Å; E229-E233 PolarHBondContact O-N 3.18Å |
| 230 | L | 97.1 | Very high | 97.3 | Very high | 100 Ų | 100 | 109.1 Ų | 109.1 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 177.4 | -77.4 | 170.3 | 0 | 0 | 0 | 112.9 | T226 H234 | T226-L230 HydrophobicContact CG2-CD1 4.04Å; T226-L230 HydrophobicContact CG2-CG 4.5Å; T226-L230 WeakPolarHBondContact O-CB 2.79Å; T226-L230 WeakPolarHBondContact O-CG 3.41Å; T226-L230 PolarHBondContact O-N 3.09Å; L230-H234 VanDerWaalsContact O-CB 3.24Å; L230-H234 WeakPolarHBondContact O-CB 3.23Å; L230-H234 PolarHBondContact O-N 2.97Å |
| 231 | R | 97.5 | Very high | 97.2 | Very high | 184 Ų | 184 | 105 Ų | 105 | 69% | 0.694 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.5 | -40.9 | 176 | -77.6 | 173.6 | 179.4 | -114.1 | 1.2 | 111.7 | V227 A228 E229 H234 E235 | V227-R231 WeakPolarHBondContact O-CB 3.44Å; V227-R231 VanDerWaalsContact O-CG 3.23Å; V227-R231 WeakPolarHBondContact O-CG 3.48Å; V227-R231 PolarHBondContact O-N 2.95Å; V227-R231 VanDerWaalsContact O-N 3.08Å; A228-R231 PolarHBondContact O-N 3.48Å; E229-R231 VanDerWaalsContact C-N 3.31Å; E229-R231 PolarHBondContact O-N 3.08Å; R231-H234 PolarHBondContact O-N 3Å; R231-E235 WeakPolarHBondContact O-CB 3.24Å; R231-E235 PolarHBondContact O-N 2.91Å |
| 232 | E | 97.5 | Very high | 97.2 | Very high | 111 Ų | 111 | 103.6 Ų | 103.6 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 176.7 | -171.2 | -172.6 | 160.2 | 0 | 0 | 111.4 | A228 E229 E235 K236 | A228-E232 PolarHBondContact O-N 2.92Å; E229-E232 PolarHBondContact O-N 3.3Å; E232-E235 PolarHBondContact O-N 3.33Å; E232-K236 HydrophobicContact CG-CD 4.41Å; E232-K236 WeakPolarHBondContact O-CB 3.33Å; E232-K236 VanDerWaalsContact O-CG 3.32Å; E232-K236 WeakPolarHBondContact O-CG 3.28Å; E232-K236 PolarHBondContact O-N 3.24Å; E232-K236 WeakPolarHBondContact OE1-CE 3.47Å; E232-K236 IonicContact OE1-NZ 3.83Å; E232-K236 PolarHBondContact OE1-NZ 2.92Å |
| 233 | E | 97.4 | Very high | 97.2 | Very high | 126 Ų | 126 | 101.7 Ų | 101.7 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.9 | -46 | 175 | -74 | -178 | 168.6 | 0 | 0 | 111.9 | E229 E235 K236 E237 | E229-E233 WeakPolarHBondContact O-CG 3.48Å; E229-E233 PolarHBondContact O-N 3.18Å; E233-E235 PolarHBondContact O-N 3.35Å; E233-K236 PolarHBondContact O-N 3.4Å; E233-E237 PolarHBondContact O-N 3.48Å |
| 234 | H | 97.3 | Very high | 97.2 | Very high | 127 Ų | 127 | 99 Ų | 99 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.4 | -44.3 | 177.3 | 178 | -87.6 | 0 | 0 | 0 | 112.2 | L230 R231 E237 K238 | L230-H234 VanDerWaalsContact O-CB 3.24Å; L230-H234 WeakPolarHBondContact O-CB 3.23Å; L230-H234 PolarHBondContact O-N 2.97Å; R231-H234 PolarHBondContact O-N 3Å; H234-E237 PolarHBondContact O-N 3.32Å; H234-K238 VanDerWaalsContact O-CB 3.28Å; H234-K238 WeakPolarHBondContact O-CB 3.46Å; H234-K238 PolarHBondContact O-N 3.22Å |
| 235 | E | 97 | Very high | 97.2 | Very high | 90 Ų | 90 | 98.3 Ų | 98.3 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 179.1 | -164.2 | 60.9 | -154.9 | 0 | 0 | 112 | R231 E232 E233 E237 K238 T239 | R231-E235 WeakPolarHBondContact O-CB 3.24Å; R231-E235 PolarHBondContact O-N 2.91Å; E232-E235 PolarHBondContact O-N 3.33Å; E233-E235 PolarHBondContact O-N 3.35Å; E235-E237 VanDerWaalsContact C-N 3.34Å; E235-E237 PolarHBondContact O-N 3.33Å; E235-K238 IonicContact OE1-NZ 3.03Å; E235-T239 WeakPolarHBondContact O-CB 3.45Å; E235-T239 VanDerWaalsContact O-CG2 3.29Å; E235-T239 WeakPolarHBondContact O-CG2 3.49Å; E235-T239 PolarHBondContact O-N 2.85Å; E235-T239 PolarHBondContact O-OG1 3.49Å |
| 236 | K | 97.4 | Very high | 97.1 | Very high | 107 Ų | 107 | 94.7 Ų | 94.7 | 47% | 0.465 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 171.9 | -76.1 | 174.4 | -177 | 168.9 | 0 | 111.9 | E232 E233 T239 K240 | E232-K236 HydrophobicContact CG-CD 4.41Å; E232-K236 WeakPolarHBondContact O-CB 3.33Å; E232-K236 VanDerWaalsContact O-CG 3.32Å; E232-K236 WeakPolarHBondContact O-CG 3.28Å; E232-K236 PolarHBondContact O-N 3.24Å; E232-K236 WeakPolarHBondContact OE1-CE 3.47Å; E232-K236 IonicContact OE1-NZ 3.83Å; E232-K236 PolarHBondContact OE1-NZ 2.92Å; E233-K236 PolarHBondContact O-N 3.4Å; K236-T239 WeakPolarHBondContact CA-OG1 3.45Å; K236-T239 PolarHBondContact O-OG1 3.47Å; K236-K240 VanDerWaalsContact O-CG 3.25Å; K236-K240 WeakPolarHBondContact O-CG 2.99Å; K236-K240 PolarHBondContact O-N 2.91Å; K236-K240 VanDerWaalsContact O-N 3.12Å |
| 237 | E | 97.2 | Very high | 97.1 | Very high | 93 Ų | 93 | 96.4 Ų | 96.4 | 44% | 0.435 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73 | -40.2 | -179.2 | -164 | 61.1 | -166.1 | 0 | 0 | 111.9 | E233 H234 E235 T239 K240 L241 | E233-E237 PolarHBondContact O-N 3.48Å; H234-E237 PolarHBondContact O-N 3.32Å; E235-E237 VanDerWaalsContact C-N 3.34Å; E235-E237 PolarHBondContact O-N 3.33Å; E237-T239 PolarHBondContact O-N 3.47Å; E237-K240 PolarHBondContact O-N 2.62Å; E237-K240 IonicContact OE2-NZ 3.76Å; E237-K240 PolarHBondContact OE2-NZ 2.85Å; E237-L241 HydrophobicContact CG-CD1 4.41Å; E237-L241 WeakPolarHBondContact O-CB 3.49Å; E237-L241 WeakPolarHBondContact O-CG 3.45Å; E237-L241 PolarHBondContact O-N 2.97Å |
| 238 | K | 97.6 | Very high | 97.1 | Very high | 85 Ų | 85 | 98.2 Ų | 98.2 | 37% | 0.37 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.7 | -50 | 173.7 | -179.9 | -175 | 164.8 | -157.3 | 0 | 111.5 | H234 E235 K240 L241 E242 | H234-K238 VanDerWaalsContact O-CB 3.28Å; H234-K238 WeakPolarHBondContact O-CB 3.46Å; H234-K238 PolarHBondContact O-N 3.22Å; E235-K238 IonicContact OE1-NZ 3.03Å; K238-K240 PolarHBondContact O-N 3.45Å; K238-L241 PolarHBondContact O-N 2.88Å; K238-E242 WeakPolarHBondContact CE-OE1 3.33Å; K238-E242 HydrophobicContact CG-CG 4.45Å; K238-E242 IonicContact NZ-OE1 2.69Å; K238-E242 WeakPolarHBondContact O-CB 3.29Å; K238-E242 WeakPolarHBondContact O-CG 3.16Å; K238-E242 PolarHBondContact O-N 2.97Å |
| 239 | T | 96.7 | Very high | 97.1 | Very high | 55 Ų | 55 | 102.5 Ų | 102.5 | 34% | 0.337 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 179.2 | 50.6 | 0 | 0 | 0 | 0 | 112.4 | E235 K236 E237 N243 | E235-T239 WeakPolarHBondContact O-CB 3.45Å; E235-T239 VanDerWaalsContact O-CG2 3.29Å; E235-T239 WeakPolarHBondContact O-CG2 3.49Å; E235-T239 PolarHBondContact O-N 2.85Å; E235-T239 PolarHBondContact O-OG1 3.49Å; K236-T239 WeakPolarHBondContact CA-OG1 3.45Å; K236-T239 PolarHBondContact O-OG1 3.47Å; E237-T239 PolarHBondContact O-N 3.47Å; T239-N243 WeakPolarHBondContact O-CB 3.32Å; T239-N243 PolarHBondContact O-N 2.93Å; T239-N243 PolarHBondContact O-ND2 2.76Å |
| 240 | K | 97 | Very high | 97.1 | Very high | 121 Ų | 121 | 104.4 Ų | 104.4 | 53% | 0.526 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 171.3 | -73.2 | 172.6 | -165.2 | 167.7 | 0 | 111.7 | K236 E237 K238 N243 T244 | K236-K240 VanDerWaalsContact O-CG 3.25Å; K236-K240 WeakPolarHBondContact O-CG 2.99Å; K236-K240 PolarHBondContact O-N 2.91Å; K236-K240 VanDerWaalsContact O-N 3.12Å; E237-K240 PolarHBondContact O-N 2.62Å; E237-K240 IonicContact OE2-NZ 3.76Å; E237-K240 PolarHBondContact OE2-NZ 2.85Å; K238-K240 PolarHBondContact O-N 3.45Å; K240-N243 PolarHBondContact O-N 3.12Å; K240-T244 WeakPolarHBondContact O-CG2 3.35Å; K240-T244 PolarHBondContact O-N 3.43Å; K240-T244 PolarHBondContact O-OG1 3.04Å |
| 241 | L | 96.8 | Very high | 97.1 | Very high | 98 Ų | 98 | 103.2 Ų | 103.2 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 179.8 | -76.8 | 171.1 | 0 | 0 | 0 | 111.3 | E237 K238 N243 T244 V245 | E237-L241 HydrophobicContact CG-CD1 4.41Å; E237-L241 WeakPolarHBondContact O-CB 3.49Å; E237-L241 WeakPolarHBondContact O-CG 3.45Å; E237-L241 PolarHBondContact O-N 2.97Å; K238-L241 PolarHBondContact O-N 2.88Å; L241-N243 VanDerWaalsContact C-N 3.32Å; L241-N243 PolarHBondContact O-N 2.9Å; L241-T244 WeakPolarHBondContact CA-OG1 3.4Å; L241-T244 PolarHBondContact O-N 3.19Å; L241-T244 PolarHBondContact O-OG1 2.95Å; L241-V245 WeakPolarHBondContact O-CB 3.3Å; L241-V245 WeakPolarHBondContact O-CG2 3.44Å; L241-V245 PolarHBondContact O-N 3.38Å |
| 242 | E | 97.2 | Very high | 97.1 | Very high | 100 Ų | 100 | 99.8 Ų | 99.8 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.2 | -44.2 | 175.7 | -74.5 | 173.5 | 167.6 | 0 | 0 | 111.9 | K238 V245 A246 | K238-E242 WeakPolarHBondContact CE-OE1 3.33Å; K238-E242 HydrophobicContact CG-CG 4.45Å; K238-E242 IonicContact NZ-OE1 2.69Å; K238-E242 WeakPolarHBondContact O-CB 3.29Å; K238-E242 WeakPolarHBondContact O-CG 3.16Å; K238-E242 PolarHBondContact O-N 2.97Å; E242-V245 PolarHBondContact O-N 3.26Å; E242-A246 WeakPolarHBondContact O-CB 3.25Å; E242-A246 PolarHBondContact O-N 3.01Å |
| 243 | N | 96.8 | Very high | 97.1 | Very high | 114 Ų | 114 | 99.7 Ų | 99.7 | 61% | 0.61 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 176 | -72.5 | -31.8 | 0 | 0 | 0 | 112.5 | T239 K240 L241 A246 K247 | T239-N243 WeakPolarHBondContact O-CB 3.32Å; T239-N243 PolarHBondContact O-N 2.93Å; T239-N243 PolarHBondContact O-ND2 2.76Å; K240-N243 PolarHBondContact O-N 3.12Å; L241-N243 VanDerWaalsContact C-N 3.32Å; L241-N243 PolarHBondContact O-N 2.9Å; N243-A246 PolarHBondContact O-N 3.43Å; N243-K247 WeakPolarHBondContact O-CB 3.5Å; N243-K247 PolarHBondContact O-N 3.48Å |
| 244 | T | 96.5 | Very high | 97 | Very high | 69 Ų | 69 | 96.3 Ų | 96.3 | 42% | 0.423 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 177.3 | 60.4 | 0 | 0 | 0 | 0 | 112 | K240 L241 K247 I248 | K240-T244 WeakPolarHBondContact O-CG2 3.35Å; K240-T244 PolarHBondContact O-N 3.43Å; K240-T244 PolarHBondContact O-OG1 3.04Å; L241-T244 WeakPolarHBondContact CA-OG1 3.4Å; L241-T244 PolarHBondContact O-N 3.19Å; L241-T244 PolarHBondContact O-OG1 2.95Å; T244-K247 PolarHBondContact O-N 2.93Å; T244-I248 VanDerWaalsContact O-CG1 3.3Å; T244-I248 WeakPolarHBondContact O-CG1 3.34Å; T244-I248 PolarHBondContact O-N 2.97Å |
| 245 | V | 97 | Very high | 97 | Very high | 70 Ų | 70 | 96.3 Ų | 96.3 | 42% | 0.424 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 176.9 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | L241 E242 K247 I248 K249 | L241-V245 WeakPolarHBondContact O-CB 3.3Å; L241-V245 WeakPolarHBondContact O-CG2 3.44Å; L241-V245 PolarHBondContact O-N 3.38Å; E242-V245 PolarHBondContact O-N 3.26Å; V245-K247 VanDerWaalsContact C-N 3.32Å; V245-K247 PolarHBondContact O-N 2.99Å; V245-I248 PolarHBondContact O-N 3.36Å; V245-K249 HydrophobicContact CG1-CD 4.2Å; V245-K249 WeakPolarHBondContact O-CB 3.36Å; V245-K249 VanDerWaalsContact O-CG 3.31Å; V245-K249 WeakPolarHBondContact O-CG 3.31Å; V245-K249 PolarHBondContact O-N 3.41Å |
| 246 | A | 96.9 | Very high | 97 | Very high | 57 Ų | 57 | 95 Ų | 95 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E242 N243 K249 Q250 | E242-A246 WeakPolarHBondContact O-CB 3.25Å; E242-A246 PolarHBondContact O-N 3.01Å; N243-A246 PolarHBondContact O-N 3.43Å; A246-K249 PolarHBondContact O-N 3.01Å; A246-Q250 PolarHBondContact O-N 3.48Å |
| 247 | K | 96.9 | Very high | 96.9 | Very high | 103 Ų | 103 | 93.5 Ų | 93.5 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.1 | -48.7 | 177.5 | -177.5 | 52.8 | 176.3 | 157.5 | 0 | 112.3 | N243 T244 V245 K249 Q250 D251 | N243-K247 WeakPolarHBondContact O-CB 3.5Å; N243-K247 PolarHBondContact O-N 3.48Å; T244-K247 PolarHBondContact O-N 2.93Å; V245-K247 VanDerWaalsContact C-N 3.32Å; V245-K247 PolarHBondContact O-N 2.99Å; K247-K249 VanDerWaalsContact C-N 3.3Å; K247-K249 PolarHBondContact O-N 2.96Å; K247-Q250 WeakPolarHBondContact O-CB 3.45Å; K247-Q250 PolarHBondContact O-N 3.3Å; K247-Q250 VanDerWaalsContact O-N 3.15Å; K247-D251 WeakPolarHBondContact CE-OD1 3.39Å; K247-D251 WeakPolarHBondContact CE-OD2 3.37Å; K247-D251 IonicContact NZ-OD1 2.97Å; K247-D251 PolarHBondContact NZ-OD1 3.35Å; K247-D251 IonicContact NZ-OD2 3.53Å; K247-D251 PolarHBondContact NZ-OD2 3.05Å; K247-D251 PolarHBondContact O-N 3.4Å |
| 248 | I | 97.2 | Very high | 96.9 | Very high | 112 Ų | 112 | 95.2 Ų | 95.2 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.2 | -42 | 177.3 | -68.8 | 166.2 | 0 | 0 | 0 | 111 | T244 V245 D251 L252 | T244-I248 VanDerWaalsContact O-CG1 3.3Å; T244-I248 WeakPolarHBondContact O-CG1 3.34Å; T244-I248 PolarHBondContact O-N 2.97Å; V245-I248 PolarHBondContact O-N 3.36Å; I248-D251 PolarHBondContact O-N 2.94Å; I248-L252 WeakPolarHBondContact O-CB 3.48Å; I248-L252 PolarHBondContact O-N 2.97Å |
| 249 | K | 97.1 | Very high | 96.8 | Very high | 144 Ų | 144 | 96.3 Ų | 96.3 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -41.7 | 176.4 | -76.3 | 179.1 | 178.8 | -177.4 | 0 | 112.5 | V245 A246 K247 Q253 | V245-K249 HydrophobicContact CG1-CD 4.2Å; V245-K249 WeakPolarHBondContact O-CB 3.36Å; V245-K249 VanDerWaalsContact O-CG 3.31Å; V245-K249 WeakPolarHBondContact O-CG 3.31Å; V245-K249 PolarHBondContact O-N 3.41Å; A246-K249 PolarHBondContact O-N 3.01Å; K247-K249 VanDerWaalsContact C-N 3.3Å; K247-K249 PolarHBondContact O-N 2.96Å; K249-Q253 WeakPolarHBondContact O-CB 3.5Å; K249-Q253 PolarHBondContact O-N 3.03Å |
| 250 | Q | 97.2 | Very high | 96.8 | Very high | 127 Ų | 127 | 99.7 Ų | 99.7 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.8 | -45.3 | 176.9 | -176.3 | -176.8 | 29.2 | 0 | 0 | 111.4 | A246 K247 Q253 A254 | A246-Q250 PolarHBondContact O-N 3.48Å; K247-Q250 WeakPolarHBondContact O-CB 3.45Å; K247-Q250 PolarHBondContact O-N 3.3Å; K247-Q250 VanDerWaalsContact O-N 3.15Å; Q250-Q253 PolarHBondContact O-N 3.28Å; Q250-A254 WeakPolarHBondContact O-CB 3.19Å; Q250-A254 PolarHBondContact O-N 2.95Å |
| 251 | D | 97.8 | Very high | 96.7 | Very high | 74 Ų | 74 | 97.5 Ų | 97.5 | 40% | 0.396 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | -178.3 | -66.4 | -19.4 | 0 | 0 | 0 | 111.2 | K247 I248 Q253 A254 E255 | K247-D251 WeakPolarHBondContact CE-OD1 3.39Å; K247-D251 WeakPolarHBondContact CE-OD2 3.37Å; K247-D251 IonicContact NZ-OD1 2.97Å; K247-D251 PolarHBondContact NZ-OD1 3.35Å; K247-D251 IonicContact NZ-OD2 3.53Å; K247-D251 PolarHBondContact NZ-OD2 3.05Å; K247-D251 PolarHBondContact O-N 3.4Å; I248-D251 PolarHBondContact O-N 2.94Å; D251-Q253 VanDerWaalsContact C-N 3.33Å; D251-Q253 PolarHBondContact O-N 3.47Å; D251-A254 PolarHBondContact O-N 3.15Å; D251-E255 WeakPolarHBondContact O-CB 3.39Å; D251-E255 PolarHBondContact O-N 2.92Å |
| 252 | L | 96.2 | Very high | 96.7 | Very high | 112 Ų | 112 | 95.4 Ų | 95.4 | 59% | 0.586 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 175.3 | -175 | 67.2 | 0 | 0 | 0 | 112.2 | I248 S256 | I248-L252 WeakPolarHBondContact O-CB 3.48Å; I248-L252 PolarHBondContact O-N 2.97Å; L252-S256 WeakPolarHBondContact O-CB 3.36Å; L252-S256 PolarHBondContact O-N 3.13Å |
| 253 | Q | 97 | Very high | 96.7 | Very high | 109 Ų | 109 | 96.7 Ų | 96.7 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 175.6 | -177.6 | 61.2 | 39 | 0 | 0 | 111 | K249 Q250 D251 E255 S256 D257 | K249-Q253 WeakPolarHBondContact O-CB 3.5Å; K249-Q253 PolarHBondContact O-N 3.03Å; Q250-Q253 PolarHBondContact O-N 3.28Å; D251-Q253 VanDerWaalsContact C-N 3.33Å; D251-Q253 PolarHBondContact O-N 3.47Å; Q253-E255 VanDerWaalsContact C-N 3.34Å; Q253-E255 PolarHBondContact O-N 3.26Å; Q253-S256 PolarHBondContact O-N 2.97Å; Q253-D257 PolarHBondContact NE2-OD1 3.34Å; Q253-D257 PolarHBondContact NE2-OD2 2.85Å; Q253-D257 VanDerWaalsContact NE2-OD2 3.13Å; Q253-D257 VanDerWaalsContact O-CG 3.27Å; Q253-D257 PolarHBondContact O-N 2.93Å |
| 254 | A | 96.6 | Very high | 96.6 | Very high | 56 Ų | 56 | 94.3 Ų | 94.3 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q250 D251 D257 Q258 | Q250-A254 WeakPolarHBondContact O-CB 3.19Å; Q250-A254 PolarHBondContact O-N 2.95Å; D251-A254 PolarHBondContact O-N 3.15Å; A254-D257 PolarHBondContact O-N 2.93Å; A254-Q258 WeakPolarHBondContact O-CB 3.41Å; A254-Q258 PolarHBondContact O-N 3.45Å |
| 255 | E | 97.4 | Very high | 96.6 | Very high | 126 Ų | 126 | 97.5 Ų | 97.5 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -42.3 | 175.6 | -173 | 178 | -176.2 | 0 | 0 | 111.8 | D251 Q253 Q258 L259 | D251-E255 WeakPolarHBondContact O-CB 3.39Å; D251-E255 PolarHBondContact O-N 2.92Å; Q253-E255 VanDerWaalsContact C-N 3.34Å; Q253-E255 PolarHBondContact O-N 3.26Å; E255-Q258 PolarHBondContact O-N 3.43Å; E255-L259 WeakPolarHBondContact O-CB 3.31Å; E255-L259 PolarHBondContact O-N 2.69Å |
| 256 | S | 95.8 | Very high | 96.6 | Very high | 62 Ų | 62 | 100 Ų | 100 | 43% | 0.434 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 175.1 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | L252 Q253 L259 Q260 | L252-S256 WeakPolarHBondContact O-CB 3.36Å; L252-S256 PolarHBondContact O-N 3.13Å; Q253-S256 PolarHBondContact O-N 2.97Å; S256-L259 PolarHBondContact O-N 2.76Å; S256-Q260 WeakPolarHBondContact O-CB 3.41Å; S256-Q260 PolarHBondContact O-N 3.46Å |
| 257 | D | 96.3 | Very high | 96.5 | Very high | 76 Ų | 76 | 103.8 Ų | 103.8 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 178.2 | -67.6 | -25.9 | 0 | 0 | 0 | 110.9 | Q253 A254 Q260 T261 | Q253-D257 PolarHBondContact NE2-OD1 3.34Å; Q253-D257 PolarHBondContact NE2-OD2 2.85Å; Q253-D257 VanDerWaalsContact NE2-OD2 3.13Å; Q253-D257 VanDerWaalsContact O-CG 3.27Å; Q253-D257 PolarHBondContact O-N 2.93Å; A254-D257 PolarHBondContact O-N 2.93Å; D257-Q260 PolarHBondContact O-N 3.36Å; D257-T261 WeakPolarHBondContact O-CG2 3.49Å; D257-T261 PolarHBondContact O-N 3.06Å; D257-T261 PolarHBondContact O-OG1 2.98Å |
| 258 | Q | 96.5 | Very high | 96.5 | Very high | 130 Ų | 130 | 103.7 Ų | 103.7 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.8 | -39.3 | 175.4 | -176.7 | -179.1 | 2.4 | 0 | 0 | 112.8 | A254 E255 Q260 T261 S262 | A254-Q258 WeakPolarHBondContact O-CB 3.41Å; A254-Q258 PolarHBondContact O-N 3.45Å; E255-Q258 PolarHBondContact O-N 3.43Å; Q258-Q260 VanDerWaalsContact C-N 3.34Å; Q258-T261 WeakPolarHBondContact CA-OG1 3.48Å; Q258-T261 PolarHBondContact O-OG1 3.36Å; Q258-S262 WeakPolarHBondContact O-CB 3.45Å; Q258-S262 PolarHBondContact O-N 2.84Å; Q258-S262 PolarHBondContact O-OG 3.36Å |
| 259 | L | 96.2 | Very high | 96.4 | Very high | 108 Ų | 108 | 100.8 Ų | 100.8 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.6 | -39.8 | 176.9 | -172.7 | 63.6 | 0 | 0 | 0 | 110.5 | E255 S256 S262 M263 | E255-L259 WeakPolarHBondContact O-CB 3.31Å; E255-L259 PolarHBondContact O-N 2.69Å; S256-L259 PolarHBondContact O-N 2.76Å; L259-S262 PolarHBondContact O-N 3.39Å; L259-M263 WeakPolarHBondContact O-CB 3.35Å; L259-M263 VanDerWaalsContact O-CG 3.31Å; L259-M263 WeakPolarHBondContact O-CG 3.34Å; L259-M263 PolarHBondContact O-N 2.87Å |
| 260 | Q | 96.9 | Very high | 96.4 | Very high | 126 Ų | 126 | 100.2 Ų | 100.2 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.1 | -40.7 | 177.1 | -176.7 | 174 | -36 | 0 | 0 | 112.5 | S256 D257 Q258 S264 | S256-Q260 WeakPolarHBondContact O-CB 3.41Å; S256-Q260 PolarHBondContact O-N 3.46Å; D257-Q260 PolarHBondContact O-N 3.36Å; Q258-Q260 VanDerWaalsContact C-N 3.34Å; Q260-S264 WeakPolarHBondContact O-CB 3.32Å; Q260-S264 PolarHBondContact O-N 2.9Å; Q260-S264 VanDerWaalsContact O-N 3.09Å; Q260-S264 PolarHBondContact O-OG 3.09Å |
| 261 | T | 95.3 | Very high | 96.4 | Very high | 74 Ų | 74 | 99.5 Ų | 99.5 | 45% | 0.454 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 173.7 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | D257 Q258 M263 S264 E265 | D257-T261 WeakPolarHBondContact O-CG2 3.49Å; D257-T261 PolarHBondContact O-N 3.06Å; D257-T261 PolarHBondContact O-OG1 2.98Å; Q258-T261 WeakPolarHBondContact CA-OG1 3.48Å; Q258-T261 PolarHBondContact O-OG1 3.36Å; T261-M263 VanDerWaalsContact C-N 3.34Å; T261-M263 PolarHBondContact O-N 2.98Å; T261-S264 WeakPolarHBondContact O-CB 3.36Å; T261-S264 PolarHBondContact O-N 3.45Å; T261-E265 WeakPolarHBondContact O-CG 3.46Å; T261-E265 PolarHBondContact O-N 3.22Å |
| 262 | S | 96.4 | Very high | 96.3 | Very high | 55 Ų | 55 | 102.6 Ų | 102.6 | 39% | 0.385 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | Q258 L259 S264 E265 L266 | Q258-S262 WeakPolarHBondContact O-CB 3.45Å; Q258-S262 PolarHBondContact O-N 2.84Å; Q258-S262 PolarHBondContact O-OG 3.36Å; L259-S262 PolarHBondContact O-N 3.39Å; S262-S264 VanDerWaalsContact C-N 3.35Å; S262-E265 PolarHBondContact O-N 3.01Å; S262-L266 WeakPolarHBondContact O-CB 3.37Å; S262-L266 PolarHBondContact O-N 2.84Å |
| 263 | M | 96.2 | Very high | 96.3 | Very high | 126 Ų | 126 | 100.8 Ų | 100.8 | 62% | 0.621 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.2 | -38.9 | 175 | -77.9 | -174.3 | 68.5 | 0 | 0 | 112.4 | L259 T261 K267 | L259-M263 WeakPolarHBondContact O-CB 3.35Å; L259-M263 VanDerWaalsContact O-CG 3.31Å; L259-M263 WeakPolarHBondContact O-CG 3.34Å; L259-M263 PolarHBondContact O-N 2.87Å; T261-M263 VanDerWaalsContact C-N 3.34Å; T261-M263 PolarHBondContact O-N 2.98Å; M263-K267 WeakPolarHBondContact O-CB 3.43Å; M263-K267 PolarHBondContact O-N 3.34Å |
| 264 | S | 95.5 | Very high | 96.3 | Very high | 65 Ų | 65 | 98.4 Ų | 98.4 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 178 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | Q260 T261 S262 K267 V268 | Q260-S264 WeakPolarHBondContact O-CB 3.32Å; Q260-S264 PolarHBondContact O-N 2.9Å; Q260-S264 VanDerWaalsContact O-N 3.09Å; Q260-S264 PolarHBondContact O-OG 3.09Å; T261-S264 WeakPolarHBondContact O-CB 3.36Å; T261-S264 PolarHBondContact O-N 3.45Å; S262-S264 VanDerWaalsContact C-N 3.35Å; S264-K267 PolarHBondContact O-N 3.38Å; S264-V268 WeakPolarHBondContact O-CG2 3.33Å; S264-V268 PolarHBondContact O-N 2.88Å |
| 265 | E | 96.2 | Very high | 96.3 | Very high | 136 Ų | 136 | 99.2 Ų | 99.2 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62 | -46.2 | 174.3 | -71.1 | 176.1 | -173.6 | 0 | 0 | 112 | T261 S262 K267 V268 A269 | T261-E265 WeakPolarHBondContact O-CG 3.46Å; T261-E265 PolarHBondContact O-N 3.22Å; S262-E265 PolarHBondContact O-N 3.01Å; E265-K267 VanDerWaalsContact C-N 3.3Å; E265-K267 PolarHBondContact O-N 3.34Å; E265-V268 PolarHBondContact O-N 2.91Å; E265-A269 WeakPolarHBondContact O-CB 3.34Å; E265-A269 PolarHBondContact O-N 3.02Å |
| 266 | L | 96.3 | Very high | 96.3 | Very high | 122 Ų | 122 | 96.6 Ų | 96.6 | 64% | 0.639 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.6 | -41.5 | 176.5 | -168.9 | 104 | 0 | 0 | 0 | 111.3 | S262 A269 Q270 | S262-L266 WeakPolarHBondContact O-CB 3.37Å; S262-L266 PolarHBondContact O-N 2.84Å; L266-A269 PolarHBondContact O-N 3.38Å; L266-Q270 WeakPolarHBondContact O-CB 3.43Å; L266-Q270 PolarHBondContact O-N 3.02Å |
| 267 | K | 96.4 | Very high | 96.4 | Very high | 137 Ų | 137 | 98.4 Ų | 98.4 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | 177.6 | -170.2 | 174.1 | -176 | 178.9 | 0 | 112 | M263 S264 E265 Q270 I271 | M263-K267 WeakPolarHBondContact O-CB 3.43Å; M263-K267 PolarHBondContact O-N 3.34Å; S264-K267 PolarHBondContact O-N 3.38Å; E265-K267 VanDerWaalsContact C-N 3.3Å; E265-K267 PolarHBondContact O-N 3.34Å; K267-Q270 PolarHBondContact O-N 2.83Å; K267-I271 HydrophobicContact CG-CD1 4.37Å; K267-I271 WeakPolarHBondContact O-CG1 3.49Å; K267-I271 PolarHBondContact O-N 3.35Å |
| 268 | V | 96.3 | Very high | 96.4 | Very high | 101 Ų | 101 | 97.5 Ų | 97.5 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -45.6 | 174.4 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | S264 E265 Q270 I271 K272 | S264-V268 WeakPolarHBondContact O-CG2 3.33Å; S264-V268 PolarHBondContact O-N 2.88Å; E265-V268 PolarHBondContact O-N 2.91Å; V268-Q270 VanDerWaalsContact C-N 3.33Å; V268-Q270 PolarHBondContact O-N 2.91Å; V268-I271 PolarHBondContact O-N 3.47Å; V268-K272 WeakPolarHBondContact O-CB 3.44Å; V268-K272 PolarHBondContact O-N 2.98Å |
| 269 | A | 95.3 | Very high | 96.4 | Very high | 50 Ų | 50 | 96.7 Ų | 96.7 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E265 L266 K272 C273 | E265-A269 WeakPolarHBondContact O-CB 3.34Å; E265-A269 PolarHBondContact O-N 3.02Å; L266-A269 PolarHBondContact O-N 3.38Å; A269-K272 PolarHBondContact O-N 2.93Å; A269-C273 WeakPolarHBondContact O-CB 3.46Å; A269-C273 PolarHBondContact O-N 3.36Å; A269-C273 PolarHBondContact O-SG 2.83Å; A269-C273 VanDerWaalsContact O-SG 3.4Å |
| 270 | Q | 96.7 | Very high | 96.4 | Very high | 133 Ų | 133 | 94.9 Ų | 94.9 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 177.3 | -174.6 | 179.4 | 6 | 0 | 0 | 112.2 | L266 K267 V268 K272 C273 A274 | L266-Q270 WeakPolarHBondContact O-CB 3.43Å; L266-Q270 PolarHBondContact O-N 3.02Å; K267-Q270 PolarHBondContact O-N 2.83Å; V268-Q270 VanDerWaalsContact C-N 3.33Å; V268-Q270 PolarHBondContact O-N 2.91Å; Q270-K272 VanDerWaalsContact C-N 3.31Å; Q270-K272 PolarHBondContact O-N 3.37Å; Q270-C273 PolarHBondContact O-N 3.48Å; Q270-A274 WeakPolarHBondContact O-CB 3.35Å; Q270-A274 PolarHBondContact O-N 3.41Å |
| 271 | I | 96.7 | Very high | 96.4 | Very high | 112 Ų | 112 | 93.8 Ų | 93.8 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.1 | -43.4 | 175.5 | -68.4 | 166.4 | 0 | 0 | 0 | 110.1 | K267 V268 A274 S275 | K267-I271 HydrophobicContact CG-CD1 4.37Å; K267-I271 WeakPolarHBondContact O-CG1 3.49Å; K267-I271 PolarHBondContact O-N 3.35Å; V268-I271 PolarHBondContact O-N 3.47Å; I271-A274 PolarHBondContact O-N 3.44Å; I271-S275 WeakPolarHBondContact O-CB 3.4Å; I271-S275 PolarHBondContact O-N 3.27Å |
| 272 | K | 96.7 | Very high | 96.5 | Very high | 138 Ų | 138 | 96.5 Ų | 96.5 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63 | -46.2 | 177.5 | -172 | 179.6 | -179.5 | -178.2 | 0 | 112.1 | V268 A269 Q270 A274 S275 I276 | V268-K272 WeakPolarHBondContact O-CB 3.44Å; V268-K272 PolarHBondContact O-N 2.98Å; A269-K272 PolarHBondContact O-N 2.93Å; Q270-K272 VanDerWaalsContact C-N 3.31Å; Q270-K272 PolarHBondContact O-N 3.37Å; K272-A274 VanDerWaalsContact C-N 3.35Å; K272-A274 PolarHBondContact O-N 2.88Å; K272-S275 WeakPolarHBondContact O-CB 3.47Å; K272-S275 PolarHBondContact O-N 3.4Å; K272-I276 HydrophobicContact CG-CD1 3.95Å; K272-I276 WeakPolarHBondContact O-CG1 3.33Å; K272-I276 PolarHBondContact O-N 2.95Å |
| 273 | C | 95.9 | Very high | 96.5 | Very high | 75 Ų | 75 | 97.8 Ų | 97.8 | 51% | 0.507 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 175.7 | -75.2 | 0 | 0 | 0 | 0 | 111.9 | A269 Q270 I276 N277 | A269-C273 WeakPolarHBondContact O-CB 3.46Å; A269-C273 PolarHBondContact O-N 3.36Å; A269-C273 PolarHBondContact O-SG 2.83Å; A269-C273 VanDerWaalsContact O-SG 3.4Å; Q270-C273 PolarHBondContact O-N 3.48Å; C273-I276 PolarHBondContact O-N 3.38Å; C273-N277 WeakPolarHBondContact O-CB 3.48Å; C273-N277 VanDerWaalsContact O-CG 3.28Å; C273-N277 PolarHBondContact O-N 3.45Å |
| 274 | A | 96.4 | Very high | 96.6 | Very high | 59 Ų | 59 | 99.6 Ų | 99.6 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q270 I271 K272 N277 S278 | Q270-A274 WeakPolarHBondContact O-CB 3.35Å; Q270-A274 PolarHBondContact O-N 3.41Å; I271-A274 PolarHBondContact O-N 3.44Å; K272-A274 VanDerWaalsContact C-N 3.35Å; K272-A274 PolarHBondContact O-N 2.88Å; A274-N277 PolarHBondContact O-N 3.4Å; A274-S278 PolarHBondContact O-N 3.27Å |
| 275 | S | 97.1 | Very high | 96.7 | Very high | 72 Ų | 72 | 100.9 Ų | 100.9 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -50.3 | 175.1 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | I271 K272 N277 S278 E279 | I271-S275 WeakPolarHBondContact O-CB 3.4Å; I271-S275 PolarHBondContact O-N 3.27Å; K272-S275 WeakPolarHBondContact O-CB 3.47Å; K272-S275 PolarHBondContact O-N 3.4Å; S275-N277 VanDerWaalsContact C-N 3.3Å; S275-N277 PolarHBondContact O-N 3.42Å; S275-S278 PolarHBondContact O-N 3.03Å; S275-E279 PolarHBondContact O-N 3.18Å |
| 276 | I | 97.2 | Very high | 96.7 | Very high | 72 Ų | 72 | 100.1 Ų | 100.1 | 37% | 0.369 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 178.5 | -70.2 | 170.3 | 0 | 0 | 0 | 110.8 | K272 C273 E279 N280 | K272-I276 HydrophobicContact CG-CD1 3.95Å; K272-I276 WeakPolarHBondContact O-CG1 3.33Å; K272-I276 PolarHBondContact O-N 2.95Å; C273-I276 PolarHBondContact O-N 3.38Å; I276-E279 PolarHBondContact O-N 2.98Å; I276-N280 VanDerWaalsContact CG2-ND2 3.3Å; I276-N280 WeakPolarHBondContact CG2-ND2 3.4Å; I276-N280 WeakPolarHBondContact O-CB 3.49Å; I276-N280 PolarHBondContact O-N 3.46Å; I276-N280 PolarHBondContact O-ND2 3.49Å |
| 277 | N | 97.1 | Very high | 96.8 | Very high | 99 Ų | 99 | 99 Ų | 99 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 175.9 | -78.2 | -14.2 | 0 | 0 | 0 | 112 | C273 A274 S275 E279 N280 N281 | C273-N277 WeakPolarHBondContact O-CB 3.48Å; C273-N277 VanDerWaalsContact O-CG 3.28Å; C273-N277 PolarHBondContact O-N 3.45Å; A274-N277 PolarHBondContact O-N 3.4Å; S275-N277 VanDerWaalsContact C-N 3.3Å; S275-N277 PolarHBondContact O-N 3.42Å; N277-E279 VanDerWaalsContact C-N 3.32Å; N277-E279 PolarHBondContact O-N 2.95Å; N277-N280 PolarHBondContact O-N 2.9Å; N277-N281 WeakPolarHBondContact O-CB 3.3Å; N277-N281 VanDerWaalsContact O-CG 3.25Å; N277-N281 PolarHBondContact O-N 2.85Å; N277-N281 PolarHBondContact O-ND2 2.87Å |
| 278 | S | 96.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 96.3 Ų | 96.3 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 112 | A274 S275 K282 | A274-S278 PolarHBondContact O-N 3.27Å; S275-S278 PolarHBondContact O-N 3.03Å; S278-K282 WeakPolarHBondContact O-CG 3.46Å; S278-K282 PolarHBondContact O-N 2.89Å; S278-K282 VanDerWaalsContact O-N 3.14Å |
| 279 | E | 97 | Very high | 96.9 | Very high | 112 Ų | 112 | 94.4 Ų | 94.4 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 176.9 | -174 | 175.3 | -170.3 | 0 | 0 | 111.5 | S275 I276 N277 N281 K282 L283 | S275-E279 PolarHBondContact O-N 3.18Å; I276-E279 PolarHBondContact O-N 2.98Å; N277-E279 VanDerWaalsContact C-N 3.32Å; N277-E279 PolarHBondContact O-N 2.95Å; E279-N281 VanDerWaalsContact C-N 3.28Å; E279-N281 PolarHBondContact O-N 3.14Å; E279-K282 WeakPolarHBondContact O-CB 3.48Å; E279-K282 PolarHBondContact O-N 3.39Å; E279-K282 VanDerWaalsContact O-N 3.11Å; E279-L283 HydrophobicContact CG-CD1 4.24Å; E279-L283 WeakPolarHBondContact O-CG 3.47Å; E279-L283 PolarHBondContact O-N 3.32Å |
| 280 | N | 96.7 | Very high | 97 | Very high | 71 Ų | 71 | 94.3 Ų | 94.3 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.1 | -39.8 | 174.3 | -85.9 | -72 | 0 | 0 | 0 | 112.3 | I276 N277 R284 | I276-N280 VanDerWaalsContact CG2-ND2 3.3Å; I276-N280 WeakPolarHBondContact CG2-ND2 3.4Å; I276-N280 WeakPolarHBondContact O-CB 3.49Å; I276-N280 PolarHBondContact O-N 3.46Å; I276-N280 PolarHBondContact O-ND2 3.49Å; N277-N280 PolarHBondContact O-N 2.9Å; N280-R284 WeakPolarHBondContact O-CB 3.23Å; N280-R284 VanDerWaalsContact O-CG 3.23Å; N280-R284 WeakPolarHBondContact O-CG 3.38Å; N280-R284 PolarHBondContact O-N 2.9Å |
| 281 | N | 97.2 | Very high | 97 | Very high | 102 Ų | 102 | 92.3 Ų | 92.3 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 176.7 | -72.4 | -17.2 | 0 | 0 | 0 | 112.2 | N277 E279 Q285 | N277-N281 WeakPolarHBondContact O-CB 3.3Å; N277-N281 VanDerWaalsContact O-CG 3.25Å; N277-N281 PolarHBondContact O-N 2.85Å; N277-N281 PolarHBondContact O-ND2 2.87Å; E279-N281 VanDerWaalsContact C-N 3.28Å; E279-N281 PolarHBondContact O-N 3.14Å; N281-Q285 WeakPolarHBondContact O-CB 3.38Å; N281-Q285 PolarHBondContact O-N 3.11Å |
| 282 | K | 96.8 | Very high | 97 | Very high | 131 Ų | 131 | 94.4 Ų | 94.4 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.7 | -48.3 | 174.4 | -71.6 | 174.3 | -178.1 | -177.7 | 0 | 111.4 | S278 E279 R284 Q285 E286 | S278-K282 WeakPolarHBondContact O-CG 3.46Å; S278-K282 PolarHBondContact O-N 2.89Å; S278-K282 VanDerWaalsContact O-N 3.14Å; E279-K282 WeakPolarHBondContact O-CB 3.48Å; E279-K282 PolarHBondContact O-N 3.39Å; E279-K282 VanDerWaalsContact O-N 3.11Å; K282-R284 VanDerWaalsContact C-N 3.32Å; K282-R284 PolarHBondContact O-N 3.12Å; K282-Q285 WeakPolarHBondContact O-CB 3.44Å; K282-Q285 PolarHBondContact O-N 2.94Å; K282-Q285 VanDerWaalsContact O-N 3.13Å; K282-E286 WeakPolarHBondContact O-CG 3.31Å; K282-E286 PolarHBondContact O-N 2.87Å |
| 283 | L | 97.1 | Very high | 97.1 | Very high | 82 Ų | 82 | 94.7 Ų | 94.7 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 177.9 | -69.9 | 173.3 | 0 | 0 | 0 | 112.1 | E279 E286 I287 | E279-L283 HydrophobicContact CG-CD1 4.24Å; E279-L283 WeakPolarHBondContact O-CG 3.47Å; E279-L283 PolarHBondContact O-N 3.32Å; L283-E286 PolarHBondContact O-N 3.46Å; L283-I287 WeakPolarHBondContact O-CB 3.43Å; L283-I287 VanDerWaalsContact O-CG1 3.24Å; L283-I287 WeakPolarHBondContact O-CG1 3.46Å; L283-I287 PolarHBondContact O-N 2.91Å |
| 284 | R | 97.6 | Very high | 97.2 | Very high | 164 Ų | 164 | 94.8 Ų | 94.8 | 62% | 0.619 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 173.3 | -76.7 | 175.3 | -179.5 | -161 | -0.1 | 111.9 | N280 K282 I287 D288 | N280-R284 WeakPolarHBondContact O-CB 3.23Å; N280-R284 VanDerWaalsContact O-CG 3.23Å; N280-R284 WeakPolarHBondContact O-CG 3.38Å; N280-R284 PolarHBondContact O-N 2.9Å; K282-R284 VanDerWaalsContact C-N 3.32Å; K282-R284 PolarHBondContact O-N 3.12Å; R284-I287 PolarHBondContact O-N 3.13Å; R284-D288 PolarHBondContact O-N 3.34Å |
| 285 | Q | 97 | Very high | 97.2 | Very high | 92 Ų | 92 | 95.2 Ų | 95.2 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 176.3 | -176.3 | 58.2 | 49.2 | 0 | 0 | 111.6 | N281 K282 I287 D288 D289 | N281-Q285 WeakPolarHBondContact O-CB 3.38Å; N281-Q285 PolarHBondContact O-N 3.11Å; K282-Q285 WeakPolarHBondContact O-CB 3.44Å; K282-Q285 PolarHBondContact O-N 2.94Å; K282-Q285 VanDerWaalsContact O-N 3.13Å; Q285-I287 VanDerWaalsContact C-N 3.34Å; Q285-I287 PolarHBondContact O-N 3.4Å; Q285-D288 PolarHBondContact O-N 2.91Å; Q285-D289 VanDerWaalsContact NE2-CG 3.3Å; Q285-D289 PolarHBondContact NE2-OD1 2.91Å; Q285-D289 VanDerWaalsContact NE2-OD1 3.12Å; Q285-D289 PolarHBondContact NE2-OD2 3.41Å; Q285-D289 PolarHBondContact O-N 3.22Å |
| 286 | E | 97.7 | Very high | 97.2 | Very high | 121 Ų | 121 | 96.6 Ų | 96.6 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.6 | -40.3 | 175.6 | -72.8 | 171.8 | -160 | 0 | 0 | 112.1 | K282 L283 D289 A290 | K282-E286 WeakPolarHBondContact O-CG 3.31Å; K282-E286 PolarHBondContact O-N 2.87Å; L283-E286 PolarHBondContact O-N 3.46Å; E286-D289 PolarHBondContact O-N 3.12Å; E286-A290 VanDerWaalsContact O-CB 3.32Å; E286-A290 WeakPolarHBondContact O-CB 3.44Å; E286-A290 PolarHBondContact O-N 3Å |
| 287 | I | 97.3 | Very high | 97.2 | Very high | 98 Ų | 98 | 95.6 Ų | 95.6 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 174.1 | -72.7 | 166.5 | 0 | 0 | 0 | 110.9 | L283 R284 Q285 D289 A290 N291 | L283-I287 WeakPolarHBondContact O-CB 3.43Å; L283-I287 VanDerWaalsContact O-CG1 3.24Å; L283-I287 WeakPolarHBondContact O-CG1 3.46Å; L283-I287 PolarHBondContact O-N 2.91Å; R284-I287 PolarHBondContact O-N 3.13Å; Q285-I287 VanDerWaalsContact C-N 3.34Å; Q285-I287 PolarHBondContact O-N 3.4Å; I287-D289 VanDerWaalsContact C-N 3.34Å; I287-D289 PolarHBondContact O-N 2.88Å; I287-A290 PolarHBondContact O-N 2.92Å; I287-N291 WeakPolarHBondContact CG2-ND2 3.24Å; I287-N291 WeakPolarHBondContact O-CB 3.33Å; I287-N291 PolarHBondContact O-N 3.49Å; I287-N291 PolarHBondContact O-ND2 3.45Å; I287-N291 VanDerWaalsContact O-ND2 3.12Å |
| 288 | D | 97.8 | Very high | 97.2 | Very high | 81 Ų | 81 | 95.9 Ų | 95.9 | 43% | 0.433 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 178.7 | -74.9 | -17 | 0 | 0 | 0 | 111.8 | R284 Q285 N291 R292 | R284-D288 PolarHBondContact O-N 3.34Å; Q285-D288 PolarHBondContact O-N 2.91Å; D288-N291 PolarHBondContact O-N 3.5Å; D288-R292 VanDerWaalsContact O-CG 3.31Å; D288-R292 WeakPolarHBondContact O-CG 3.35Å; D288-R292 PolarHBondContact O-N 3.04Å |
| 289 | D | 97.2 | Very high | 97.3 | Very high | 61 Ų | 61 | 97.8 Ų | 97.8 | 33% | 0.326 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70 | -43 | 177.2 | -68.6 | -31.3 | 0 | 0 | 0 | 111.6 | Q285 E286 I287 N291 R292 E293 | Q285-D289 VanDerWaalsContact NE2-CG 3.3Å; Q285-D289 PolarHBondContact NE2-OD1 2.91Å; Q285-D289 VanDerWaalsContact NE2-OD1 3.12Å; Q285-D289 PolarHBondContact NE2-OD2 3.41Å; Q285-D289 PolarHBondContact O-N 3.22Å; E286-D289 PolarHBondContact O-N 3.12Å; I287-D289 VanDerWaalsContact C-N 3.34Å; I287-D289 PolarHBondContact O-N 2.88Å; D289-N291 VanDerWaalsContact C-N 3.34Å; D289-N291 PolarHBondContact O-N 2.9Å; D289-R292 WeakPolarHBondContact O-CB 3.32Å; D289-R292 PolarHBondContact O-N 3.4Å; D289-R292 IonicContact OD1-CZ 2.95Å; D289-R292 IonicContact OD1-NH1 2.68Å; D289-R292 PolarHBondContact OD1-NH1 3.18Å; D289-E293 PolarHBondContact O-N 3.45Å |
| 290 | A | 97.1 | Very high | 97.3 | Very high | 48 Ų | 48 | 96 Ų | 96 | 40% | 0.397 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E286 I287 R292 E293 V294 | E286-A290 VanDerWaalsContact O-CB 3.32Å; E286-A290 WeakPolarHBondContact O-CB 3.44Å; E286-A290 PolarHBondContact O-N 3Å; I287-A290 PolarHBondContact O-N 2.92Å; A290-R292 VanDerWaalsContact C-N 3.32Å; A290-R292 PolarHBondContact O-N 3.37Å; A290-E293 PolarHBondContact O-N 3.45Å; A290-V294 WeakPolarHBondContact O-CG2 3.46Å; A290-V294 PolarHBondContact O-N 3.45Å |
| 291 | N | 97.7 | Very high | 97.4 | Very high | 91 Ų | 91 | 96.8 Ų | 96.8 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 175.4 | -76.5 | -32.3 | 0 | 0 | 0 | 112 | I287 D288 D289 V294 V295 | I287-N291 WeakPolarHBondContact CG2-ND2 3.24Å; I287-N291 WeakPolarHBondContact O-CB 3.33Å; I287-N291 PolarHBondContact O-N 3.49Å; I287-N291 PolarHBondContact O-ND2 3.45Å; I287-N291 VanDerWaalsContact O-ND2 3.12Å; D288-N291 PolarHBondContact O-N 3.5Å; D289-N291 VanDerWaalsContact C-N 3.34Å; D289-N291 PolarHBondContact O-N 2.9Å; N291-V294 PolarHBondContact O-N 2.69Å; N291-V295 WeakPolarHBondContact O-CG2 3.38Å; N291-V295 PolarHBondContact O-N 2.99Å |
| 292 | R | 97 | Very high | 97.4 | Very high | 155 Ų | 155 | 96.2 Ų | 96.2 | 59% | 0.585 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 173.7 | -73 | 168.3 | -176 | 164.5 | -1.4 | 111.3 | D288 D289 A290 V294 V295 E296 | D288-R292 VanDerWaalsContact O-CG 3.31Å; D288-R292 WeakPolarHBondContact O-CG 3.35Å; D288-R292 PolarHBondContact O-N 3.04Å; D289-R292 WeakPolarHBondContact O-CB 3.32Å; D289-R292 PolarHBondContact O-N 3.4Å; D289-R292 IonicContact OD1-CZ 2.95Å; D289-R292 IonicContact OD1-NH1 2.68Å; D289-R292 PolarHBondContact OD1-NH1 3.18Å; A290-R292 VanDerWaalsContact C-N 3.32Å; A290-R292 PolarHBondContact O-N 3.37Å; R292-V294 VanDerWaalsContact C-N 3.34Å; R292-V294 PolarHBondContact O-N 3.31Å; R292-V295 PolarHBondContact O-N 3.48Å; R292-E296 WeakPolarHBondContact O-CG 3.36Å; R292-E296 PolarHBondContact O-N 2.94Å |
| 293 | E | 97.6 | Very high | 97.4 | Very high | 144 Ų | 144 | 95.9 Ų | 95.9 | 67% | 0.673 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.1 | -42.2 | 177.1 | -71.3 | -179.1 | -179.3 | 0 | 0 | 112.1 | D289 A290 E296 A297 | D289-E293 PolarHBondContact O-N 3.45Å; A290-E293 PolarHBondContact O-N 3.45Å; E293-E296 PolarHBondContact O-N 2.89Å; E293-A297 WeakPolarHBondContact O-CB 3.47Å; E293-A297 PolarHBondContact O-N 3.03Å |
| 294 | V | 98 | Very high | 97.4 | Very high | 77 Ų | 77 | 96.7 Ų | 96.7 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -48 | 175.3 | 170.2 | 0 | 0 | 0 | 0 | 111 | A290 N291 R292 E296 A297 E298 | A290-V294 WeakPolarHBondContact O-CG2 3.46Å; A290-V294 PolarHBondContact O-N 3.45Å; N291-V294 PolarHBondContact O-N 2.69Å; R292-V294 VanDerWaalsContact C-N 3.34Å; R292-V294 PolarHBondContact O-N 3.31Å; V294-E296 VanDerWaalsContact C-N 3.33Å; V294-E296 PolarHBondContact O-N 3.26Å; V294-A297 PolarHBondContact O-N 3.43Å; V294-E298 HydrophobicContact CG1-CG 4.37Å; V294-E298 WeakPolarHBondContact O-CB 3.41Å; V294-E298 WeakPolarHBondContact O-CG 3.34Å; V294-E298 PolarHBondContact O-N 3.01Å |
| 295 | V | 97.6 | Very high | 97.4 | Very high | 68 Ų | 68 | 94.2 Ų | 94.2 | 41% | 0.412 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 178.8 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | N291 R292 E298 K299 | N291-V295 WeakPolarHBondContact O-CG2 3.38Å; N291-V295 PolarHBondContact O-N 2.99Å; R292-V295 PolarHBondContact O-N 3.48Å; V295-E298 PolarHBondContact O-N 3.03Å; V295-K299 WeakPolarHBondContact O-CG 3.41Å; V295-K299 PolarHBondContact O-N 3.49Å |
| 296 | E | 96.8 | Very high | 97.4 | Very high | 102 Ų | 102 | 94.9 Ų | 94.9 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 176.1 | -68.9 | -53.9 | 133 | 0 | 0 | 112.1 | R292 E293 V294 E298 K299 V300 | R292-E296 WeakPolarHBondContact O-CG 3.36Å; R292-E296 PolarHBondContact O-N 2.94Å; E293-E296 PolarHBondContact O-N 2.89Å; V294-E296 VanDerWaalsContact C-N 3.33Å; V294-E296 PolarHBondContact O-N 3.26Å; E296-E298 PolarHBondContact O-N 3.29Å; E296-K299 WeakPolarHBondContact O-CB 3.48Å; E296-K299 PolarHBondContact O-N 3.48Å; E296-K299 IonicContact OE1-NZ 3.13Å; E296-K299 PolarHBondContact OE1-NZ 3.23Å; E296-K299 IonicContact OE2-NZ 3.64Å; E296-V300 WeakPolarHBondContact O-CG2 3.36Å; E296-V300 PolarHBondContact O-N 3.48Å |
| 297 | A | 97 | Very high | 97.4 | Very high | 50 Ų | 50 | 98.2 Ų | 98.2 | 41% | 0.413 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E293 V294 K299 V300 I301 | E293-A297 WeakPolarHBondContact O-CB 3.47Å; E293-A297 PolarHBondContact O-N 3.03Å; V294-A297 PolarHBondContact O-N 3.43Å; A297-K299 PolarHBondContact O-N 2.85Å; A297-V300 PolarHBondContact O-N 3.07Å; A297-I301 VanDerWaalsContact O-CG1 3.31Å; A297-I301 WeakPolarHBondContact O-CG1 3.49Å; A297-I301 PolarHBondContact O-N 3.39Å |
| 298 | E | 97.7 | Very high | 97.4 | Very high | 106 Ų | 106 | 98.2 Ų | 98.2 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 175 | -75.1 | 176.8 | 168.5 | 0 | 0 | 112 | V294 V295 E296 V300 I301 N302 | V294-E298 HydrophobicContact CG1-CG 4.37Å; V294-E298 WeakPolarHBondContact O-CB 3.41Å; V294-E298 WeakPolarHBondContact O-CG 3.34Å; V294-E298 PolarHBondContact O-N 3.01Å; V295-E298 PolarHBondContact O-N 3.03Å; E296-E298 PolarHBondContact O-N 3.29Å; E298-V300 PolarHBondContact O-N 3.31Å; E298-I301 PolarHBondContact O-N 3.5Å; E298-N302 WeakPolarHBondContact O-CB 3.32Å; E298-N302 VanDerWaalsContact O-CG 3.25Å; E298-N302 PolarHBondContact O-N 3.38Å; E298-N302 PolarHBondContact O-ND2 2.87Å; E298-N302 VanDerWaalsContact O-ND2 3.07Å |
| 299 | K | 97.5 | Very high | 97.4 | Very high | 98 Ų | 98 | 98.1 Ų | 98.1 | 43% | 0.426 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 173.5 | -74.3 | 172.3 | -173.6 | 169.7 | 0 | 111.7 | V295 E296 A297 N302 Q303 | V295-K299 WeakPolarHBondContact O-CG 3.41Å; V295-K299 PolarHBondContact O-N 3.49Å; E296-K299 WeakPolarHBondContact O-CB 3.48Å; E296-K299 PolarHBondContact O-N 3.48Å; E296-K299 IonicContact OE1-NZ 3.13Å; E296-K299 PolarHBondContact OE1-NZ 3.23Å; E296-K299 IonicContact OE2-NZ 3.64Å; A297-K299 PolarHBondContact O-N 2.85Å; K299-N302 PolarHBondContact O-N 2.9Å; K299-Q303 VanDerWaalsContact O-CG 3.28Å; K299-Q303 WeakPolarHBondContact O-CG 3.31Å; K299-Q303 PolarHBondContact O-N 2.89Å |
| 300 | V | 97.8 | Very high | 97.4 | Very high | 73 Ų | 73 | 96.8 Ų | 96.8 | 44% | 0.442 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 178.4 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | E296 A297 E298 N302 Q303 L304 | E296-V300 WeakPolarHBondContact O-CG2 3.36Å; E296-V300 PolarHBondContact O-N 3.48Å; A297-V300 PolarHBondContact O-N 3.07Å; E298-V300 PolarHBondContact O-N 3.31Å; V300-N302 PolarHBondContact O-N 3.37Å; V300-Q303 PolarHBondContact O-N 3.49Å; V300-L304 HydrophobicContact CG1-CD1 3.96Å; V300-L304 HydrophobicContact CG1-CG 4.34Å; V300-L304 WeakPolarHBondContact O-CB 3.28Å; V300-L304 WeakPolarHBondContact O-CG 3.45Å; V300-L304 PolarHBondContact O-N 2.96Å |
| 301 | I | 97.9 | Very high | 97.4 | Very high | 88 Ų | 88 | 97 Ų | 97 | 45% | 0.451 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -49 | 175.4 | -72.2 | 167.7 | 0 | 0 | 0 | 110.5 | A297 E298 Q303 L304 Q305 | A297-I301 VanDerWaalsContact O-CG1 3.31Å; A297-I301 WeakPolarHBondContact O-CG1 3.49Å; A297-I301 PolarHBondContact O-N 3.39Å; E298-I301 PolarHBondContact O-N 3.5Å; I301-Q303 VanDerWaalsContact C-N 3.32Å; I301-Q303 PolarHBondContact O-N 3.24Å; I301-L304 PolarHBondContact O-N 2.8Å; I301-Q305 HydrophobicContact CG2-CG 4.28Å; I301-Q305 WeakPolarHBondContact O-CB 3.36Å; I301-Q305 WeakPolarHBondContact O-CG 3.31Å; I301-Q305 PolarHBondContact O-N 2.99Å |
| 302 | N | 96.7 | Very high | 97.4 | Very high | 90 Ų | 90 | 98.1 Ų | 98.1 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 179.4 | -72.9 | -35.3 | 0 | 0 | 0 | 112.3 | E298 K299 V300 T306 | E298-N302 WeakPolarHBondContact O-CB 3.32Å; E298-N302 VanDerWaalsContact O-CG 3.25Å; E298-N302 PolarHBondContact O-N 3.38Å; E298-N302 PolarHBondContact O-ND2 2.87Å; E298-N302 VanDerWaalsContact O-ND2 3.07Å; K299-N302 PolarHBondContact O-N 2.9Å; V300-N302 PolarHBondContact O-N 3.37Å; N302-T306 WeakPolarHBondContact O-CB 3.33Å; N302-T306 PolarHBondContact O-N 3.49Å; N302-T306 PolarHBondContact O-OG1 2.99Å |
| 303 | Q | 97.5 | Very high | 97.4 | Very high | 124 Ų | 124 | 95.3 Ų | 95.3 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.1 | -45.1 | 174.1 | -73.8 | 173 | 8 | 0 | 0 | 111.8 | K299 V300 I301 T306 R307 | K299-Q303 VanDerWaalsContact O-CG 3.28Å; K299-Q303 WeakPolarHBondContact O-CG 3.31Å; K299-Q303 PolarHBondContact O-N 2.89Å; V300-Q303 PolarHBondContact O-N 3.49Å; I301-Q303 VanDerWaalsContact C-N 3.32Å; I301-Q303 PolarHBondContact O-N 3.24Å; Q303-T306 PolarHBondContact O-N 3.39Å; Q303-R307 WeakPolarHBondContact O-CG 3.37Å; Q303-R307 PolarHBondContact O-N 2.82Å |
| 304 | L | 97.3 | Very high | 97.4 | Very high | 100 Ų | 100 | 94.6 Ų | 94.6 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 178.1 | -72.4 | 175.3 | 0 | 0 | 0 | 111.8 | V300 I301 R307 L308 | V300-L304 HydrophobicContact CG1-CD1 3.96Å; V300-L304 HydrophobicContact CG1-CG 4.34Å; V300-L304 WeakPolarHBondContact O-CB 3.28Å; V300-L304 WeakPolarHBondContact O-CG 3.45Å; V300-L304 PolarHBondContact O-N 2.96Å; I301-L304 PolarHBondContact O-N 2.8Å; L304-R307 PolarHBondContact O-N 3.19Å; L304-L308 VanDerWaalsContact O-CB 3.31Å; L304-L308 WeakPolarHBondContact O-CB 3.47Å; L304-L308 PolarHBondContact O-N 3.33Å |
| 305 | Q | 98.2 | Very high | 97.4 | Very high | 112 Ų | 112 | 95.9 Ų | 95.9 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 174.7 | -75.3 | 175.4 | -16.5 | 0 | 0 | 111.9 | I301 R307 L308 C309 | I301-Q305 HydrophobicContact CG2-CG 4.28Å; I301-Q305 WeakPolarHBondContact O-CB 3.36Å; I301-Q305 WeakPolarHBondContact O-CG 3.31Å; I301-Q305 PolarHBondContact O-N 2.99Å; Q305-R307 PolarHBondContact O-N 2.83Å; Q305-L308 PolarHBondContact O-N 3.12Å; Q305-C309 WeakPolarHBondContact O-CB 3.47Å; Q305-C309 PolarHBondContact O-N 3.34Å |
| 306 | T | 96.4 | Very high | 97.4 | Very high | 105 Ų | 105 | 97.6 Ų | 97.6 | 64% | 0.644 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | 176.2 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | N302 Q303 G310 | N302-T306 WeakPolarHBondContact O-CB 3.33Å; N302-T306 PolarHBondContact O-N 3.49Å; N302-T306 PolarHBondContact O-OG1 2.99Å; Q303-T306 PolarHBondContact O-N 3.39Å; T306-G310 PolarHBondContact O-N 3.39Å |
| 307 | R | 97.9 | Very high | 97.4 | Very high | 191 Ų | 191 | 98 Ų | 98 | 72% | 0.721 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.4 | -41 | 176.6 | -73.4 | -179.7 | 68.4 | 176.5 | 1.4 | 112.3 | Q303 L304 Q305 G310 A311 | Q303-R307 WeakPolarHBondContact O-CG 3.37Å; Q303-R307 PolarHBondContact O-N 2.82Å; L304-R307 PolarHBondContact O-N 3.19Å; Q305-R307 PolarHBondContact O-N 2.83Å; R307-G310 PolarHBondContact O-N 3.04Å; R307-A311 WeakPolarHBondContact O-CB 3.44Å; R307-A311 PolarHBondContact O-N 3.35Å |
| 308 | L | 97.1 | Very high | 97.4 | Very high | 98 Ų | 98 | 102.5 Ų | 102.5 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -48.9 | 177.1 | 179.7 | 63.4 | 0 | 0 | 0 | 110.4 | L304 Q305 G310 A311 E312 | L304-L308 VanDerWaalsContact O-CB 3.31Å; L304-L308 WeakPolarHBondContact O-CB 3.47Å; L304-L308 PolarHBondContact O-N 3.33Å; Q305-L308 PolarHBondContact O-N 3.12Å; L308-G310 VanDerWaalsContact C-N 3.3Å; L308-G310 PolarHBondContact O-N 2.92Å; L308-A311 PolarHBondContact O-N 2.92Å; L308-A311 VanDerWaalsContact O-N 3.12Å; L308-E312 HydrophobicContact CD1-CG 4.16Å; L308-E312 HydrophobicContact CG-CG 4.32Å; L308-E312 WeakPolarHBondContact O-CB 3.46Å; L308-E312 WeakPolarHBondContact O-CG 3.34Å; L308-E312 PolarHBondContact O-N 2.96Å |
| 309 | C | 97.3 | Very high | 97.4 | Very high | 79 Ų | 79 | 102.6 Ų | 102.6 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.8 | -42.3 | 176.7 | 179.9 | 0 | 0 | 0 | 0 | 112 | Q305 E312 Q313 | Q305-C309 WeakPolarHBondContact O-CB 3.47Å; Q305-C309 PolarHBondContact O-N 3.34Å; C309-E312 PolarHBondContact O-N 3.45Å; C309-Q313 WeakPolarHBondContact O-CB 3.44Å; C309-Q313 PolarHBondContact O-N 3.39Å |
| 310 | G | 96.9 | Very high | 97.4 | Very high | 34 Ų | 34 | 101 Ų | 101 | 35% | 0.351 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | T306 R307 L308 Q313 E314 | T306-G310 PolarHBondContact O-N 3.39Å; R307-G310 PolarHBondContact O-N 3.04Å; L308-G310 VanDerWaalsContact C-N 3.3Å; L308-G310 PolarHBondContact O-N 2.92Å; G310-Q313 PolarHBondContact O-N 2.83Å; G310-E314 WeakPolarHBondContact O-CG 3.38Å; G310-E314 PolarHBondContact O-N 3.47Å |
| 311 | A | 97 | Very high | 97.3 | Very high | 53 Ų | 53 | 100 Ų | 100 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R307 L308 E314 L315 | R307-A311 WeakPolarHBondContact O-CB 3.44Å; R307-A311 PolarHBondContact O-N 3.35Å; L308-A311 PolarHBondContact O-N 2.92Å; L308-A311 VanDerWaalsContact O-N 3.12Å; A311-E314 PolarHBondContact O-N 2.98Å; A311-L315 WeakPolarHBondContact O-CB 3.43Å; A311-L315 PolarHBondContact O-N 3.41Å |
| 312 | E | 98.1 | Very high | 97.3 | Very high | 113 Ų | 113 | 100.7 Ų | 100.7 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 175.2 | -74.2 | 174.6 | 160 | 0 | 0 | 111.4 | L308 C309 L315 L316 | L308-E312 HydrophobicContact CD1-CG 4.16Å; L308-E312 HydrophobicContact CG-CG 4.32Å; L308-E312 WeakPolarHBondContact O-CB 3.46Å; L308-E312 WeakPolarHBondContact O-CG 3.34Å; L308-E312 PolarHBondContact O-N 2.96Å; C309-E312 PolarHBondContact O-N 3.45Å; E312-L315 PolarHBondContact O-N 3.03Å; E312-L316 PolarHBondContact O-N 2.92Å |
| 313 | Q | 97.5 | Very high | 97.3 | Very high | 96 Ų | 96 | 101.1 Ų | 101.1 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 175.1 | -179.5 | 61 | 28.5 | 0 | 0 | 111.8 | C309 G310 L315 L316 E317 | C309-Q313 WeakPolarHBondContact O-CB 3.44Å; C309-Q313 PolarHBondContact O-N 3.39Å; G310-Q313 PolarHBondContact O-N 2.83Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 3.5Å; Q313-L316 PolarHBondContact O-N 3.15Å; Q313-E317 PolarHBondContact NE2-OE1 3.31Å; Q313-E317 WeakPolarHBondContact O-CG 3.27Å; Q313-E317 PolarHBondContact O-N 2.96Å |
| 314 | E | 97.4 | Very high | 97.3 | Very high | 130 Ų | 130 | 99.7 Ų | 99.7 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.1 | -42.2 | 174.8 | -76.7 | -179.1 | -174 | 0 | 0 | 111.6 | G310 A311 E317 K318 | G310-E314 WeakPolarHBondContact O-CG 3.38Å; G310-E314 PolarHBondContact O-N 3.47Å; A311-E314 PolarHBondContact O-N 2.98Å; E314-E317 PolarHBondContact O-N 3.42Å; E314-K318 VanDerWaalsContact O-CG 3.27Å; E314-K318 WeakPolarHBondContact O-CG 3.37Å; E314-K318 PolarHBondContact O-N 3.01Å |
| 315 | L | 97.6 | Very high | 97.2 | Very high | 104 Ų | 104 | 98.8 Ų | 98.8 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 177 | -176.6 | 67.2 | 0 | 0 | 0 | 111.1 | A311 E312 Q313 E317 K318 E319 | A311-L315 WeakPolarHBondContact O-CB 3.43Å; A311-L315 PolarHBondContact O-N 3.41Å; E312-L315 PolarHBondContact O-N 3.03Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 3.5Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-E317 PolarHBondContact O-N 3.37Å; L315-K318 PolarHBondContact O-N 2.86Å; L315-K318 VanDerWaalsContact O-N 3.15Å; L315-E319 WeakPolarHBondContact O-CG 3.4Å; L315-E319 PolarHBondContact O-N 3.18Å |
| 316 | L | 97.7 | Very high | 97.2 | Very high | 103 Ų | 103 | 98.7 Ų | 98.7 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 177.8 | -174.6 | 70.7 | 0 | 0 | 0 | 112 | E312 Q313 K318 E319 S320 | E312-L316 PolarHBondContact O-N 2.92Å; Q313-L316 PolarHBondContact O-N 3.15Å; L316-K318 VanDerWaalsContact C-N 3.35Å; L316-E319 PolarHBondContact O-N 2.86Å; L316-S320 PolarHBondContact O-N 3.29Å |
| 317 | E | 97.3 | Very high | 97.2 | Very high | 112 Ų | 112 | 99.3 Ų | 99.3 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 175.7 | -73.3 | 172.8 | -165.6 | 0 | 0 | 112.1 | Q313 E314 L315 S320 A321 | Q313-E317 PolarHBondContact NE2-OE1 3.31Å; Q313-E317 WeakPolarHBondContact O-CG 3.27Å; Q313-E317 PolarHBondContact O-N 2.96Å; E314-E317 PolarHBondContact O-N 3.42Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-E317 PolarHBondContact O-N 3.37Å; E317-S320 PolarHBondContact O-N 3Å; E317-A321 WeakPolarHBondContact O-CB 3.35Å; E317-A321 PolarHBondContact O-N 3.34Å |
| 318 | K | 96.7 | Very high | 97.1 | Very high | 144 Ų | 144 | 97.5 Ų | 97.5 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.4 | -40.6 | 175.4 | -68.2 | -60.8 | 179.4 | -170.3 | 0 | 112.3 | E314 L315 L316 A321 L322 | E314-K318 VanDerWaalsContact O-CG 3.27Å; E314-K318 WeakPolarHBondContact O-CG 3.37Å; E314-K318 PolarHBondContact O-N 3.01Å; L315-K318 PolarHBondContact O-N 2.86Å; L315-K318 VanDerWaalsContact O-N 3.15Å; L316-K318 VanDerWaalsContact C-N 3.35Å; K318-A321 PolarHBondContact O-N 2.96Å; K318-L322 WeakPolarHBondContact O-CB 3.41Å; K318-L322 WeakPolarHBondContact O-CG 3.39Å; K318-L322 PolarHBondContact O-N 2.98Å |
| 319 | E | 98 | Very high | 97.1 | Very high | 108 Ų | 108 | 97 Ų | 97 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 174.9 | -74.1 | 177.4 | 169.6 | 0 | 0 | 111.3 | L315 L316 A321 L322 L323 | L315-E319 WeakPolarHBondContact O-CG 3.4Å; L315-E319 PolarHBondContact O-N 3.18Å; L316-E319 PolarHBondContact O-N 2.86Å; E319-A321 PolarHBondContact O-N 3.47Å; E319-L322 PolarHBondContact O-N 2.97Å; E319-L323 PolarHBondContact O-N 3.48Å |
| 320 | S | 96.7 | Very high | 97 | Very high | 65 Ų | 65 | 99.6 Ų | 99.6 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 174.3 | -170.5 | 0 | 0 | 0 | 0 | 111.9 | L316 E317 L322 L323 E324 | L316-S320 PolarHBondContact O-N 3.29Å; E317-S320 PolarHBondContact O-N 3Å; S320-L322 VanDerWaalsContact C-N 3.34Å; S320-L322 PolarHBondContact O-N 3.38Å; S320-L323 PolarHBondContact O-N 3.09Å; S320-E324 PolarHBondContact O-N 3.3Å |
| 321 | A | 97.2 | Very high | 96.9 | Very high | 51 Ų | 51 | 103.6 Ų | 103.6 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -35.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E317 K318 E319 N325 | E317-A321 WeakPolarHBondContact O-CB 3.35Å; E317-A321 PolarHBondContact O-N 3.34Å; K318-A321 PolarHBondContact O-N 2.96Å; E319-A321 PolarHBondContact O-N 3.47Å; A321-N325 WeakPolarHBondContact O-CB 3.41Å; A321-N325 PolarHBondContact O-N 3.5Å; A321-N325 VanDerWaalsContact O-N 3.09Å |
| 322 | L | 97 | Very high | 96.9 | Very high | 103 Ų | 103 | 105.9 Ų | 105.9 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 174.1 | -80.2 | 171.4 | 0 | 0 | 0 | 111.1 | K318 E319 S320 E324 N325 E326 | K318-L322 WeakPolarHBondContact O-CB 3.41Å; K318-L322 WeakPolarHBondContact O-CG 3.39Å; K318-L322 PolarHBondContact O-N 2.98Å; E319-L322 PolarHBondContact O-N 2.97Å; S320-L322 VanDerWaalsContact C-N 3.34Å; S320-L322 PolarHBondContact O-N 3.38Å; L322-E324 PolarHBondContact O-N 3.04Å; L322-N325 WeakPolarHBondContact O-CB 3.36Å; L322-N325 PolarHBondContact O-N 3.49Å; L322-N325 VanDerWaalsContact O-N 3.13Å; L322-E326 WeakPolarHBondContact O-CG 3.37Å; L322-E326 PolarHBondContact O-N 3.34Å |
| 323 | L | 97 | Very high | 96.8 | Very high | 99 Ų | 99 | 105.9 Ų | 105.9 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 176.8 | -170.9 | 74.8 | 0 | 0 | 0 | 111.6 | E319 S320 N325 E326 E327 | E319-L323 PolarHBondContact O-N 3.48Å; S320-L323 PolarHBondContact O-N 3.09Å; L323-N325 VanDerWaalsContact C-N 3.25Å; L323-N325 PolarHBondContact O-N 2.97Å; L323-E326 PolarHBondContact O-N 3.34Å; L323-E327 WeakPolarHBondContact O-CG 3.29Å; L323-E327 PolarHBondContact O-N 3.13Å |
| 324 | E | 96.5 | Very high | 96.7 | Very high | 93 Ų | 93 | 104.2 Ų | 104.2 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.6 | -38.1 | 175.4 | -74.4 | -176.3 | -161.3 | 0 | 0 | 112.4 | S320 L322 R328 | S320-E324 PolarHBondContact O-N 3.3Å; L322-E324 PolarHBondContact O-N 3.04Å; E324-R328 VanDerWaalsContact O-CG 3.29Å; E324-R328 WeakPolarHBondContact O-CG 3.47Å; E324-R328 PolarHBondContact O-N 3.05Å; E324-R328 IonicContact OE2-NH2 2.66Å; E324-R328 PolarHBondContact OE2-NH2 3.34Å |
| 325 | N | 96.4 | Very high | 96.7 | Very high | 81 Ų | 81 | 100.9 Ų | 100.9 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.3 | -38.9 | 178.6 | -168.3 | 28.6 | 0 | 0 | 0 | 111.8 | A321 L322 L323 R328 L329 | A321-N325 WeakPolarHBondContact O-CB 3.41Å; A321-N325 PolarHBondContact O-N 3.5Å; A321-N325 VanDerWaalsContact O-N 3.09Å; L322-N325 WeakPolarHBondContact O-CB 3.36Å; L322-N325 PolarHBondContact O-N 3.49Å; L322-N325 VanDerWaalsContact O-N 3.13Å; L323-N325 VanDerWaalsContact C-N 3.25Å; L323-N325 PolarHBondContact O-N 2.97Å; N325-R328 PolarHBondContact O-N 3.35Å; N325-L329 WeakPolarHBondContact O-CB 3.45Å; N325-L329 WeakPolarHBondContact O-CG 3.49Å; N325-L329 PolarHBondContact O-N 3.2Å |
| 326 | E | 97 | Very high | 96.6 | Very high | 111 Ų | 111 | 100.5 Ų | 100.5 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 172.9 | -74.8 | -178.5 | 176.7 | 0 | 0 | 111.4 | L322 L323 R328 L329 Q330 | L322-E326 WeakPolarHBondContact O-CG 3.37Å; L322-E326 PolarHBondContact O-N 3.34Å; L323-E326 PolarHBondContact O-N 3.34Å; E326-R328 PolarHBondContact O-N 3.49Å; E326-L329 PolarHBondContact O-N 3.47Å; E326-Q330 WeakPolarHBondContact O-CG 3.43Å; E326-Q330 PolarHBondContact O-N 2.88Å |
| 327 | E | 96.8 | Very high | 96.5 | Very high | 117 Ų | 117 | 104.1 Ų | 104.1 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 175 | -71.1 | -178.6 | 170.1 | 0 | 0 | 112.1 | L323 L329 Q330 H331 | L323-E327 WeakPolarHBondContact O-CG 3.29Å; L323-E327 PolarHBondContact O-N 3.13Å; E327-L329 VanDerWaalsContact C-N 3.35Å; E327-L329 PolarHBondContact O-N 2.85Å; E327-Q330 PolarHBondContact O-N 2.88Å; E327-H331 PolarHBondContact O-N 2.96Å |
| 328 | R | 97.1 | Very high | 96.4 | Very high | 154 Ų | 154 | 106.4 Ų | 106.4 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.1 | -42.8 | 174.7 | -74.4 | 174.3 | -168 | 168.3 | 12.2 | 111.7 | E324 N325 E326 H331 L332 | E324-R328 VanDerWaalsContact O-CG 3.29Å; E324-R328 WeakPolarHBondContact O-CG 3.47Å; E324-R328 PolarHBondContact O-N 3.05Å; E324-R328 IonicContact OE2-NH2 2.66Å; E324-R328 PolarHBondContact OE2-NH2 3.34Å; N325-R328 PolarHBondContact O-N 3.35Å; E326-R328 PolarHBondContact O-N 3.49Å; R328-H331 PolarHBondContact O-N 3.32Å; R328-L332 WeakPolarHBondContact O-CG 3.44Å; R328-L332 PolarHBondContact O-N 2.97Å |
| 329 | L | 95.7 | Very high | 96.3 | Very high | 88 Ų | 88 | 103.9 Ų | 103.9 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 177.1 | -77.8 | 169.4 | 0 | 0 | 0 | 111.7 | N325 E326 E327 H331 L332 L333 | N325-L329 WeakPolarHBondContact O-CB 3.45Å; N325-L329 WeakPolarHBondContact O-CG 3.49Å; N325-L329 PolarHBondContact O-N 3.2Å; E326-L329 PolarHBondContact O-N 3.47Å; E327-L329 VanDerWaalsContact C-N 3.35Å; E327-L329 PolarHBondContact O-N 2.85Å; L329-H331 VanDerWaalsContact C-N 3.32Å; L329-H331 PolarHBondContact O-N 2.88Å; L329-L332 PolarHBondContact O-N 3.24Å; L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 WeakPolarHBondContact O-CG 3.37Å; L329-L333 PolarHBondContact O-N 3.44Å |
| 330 | Q | 96.3 | Very high | 96.2 | Very high | 132 Ų | 132 | 104.5 Ų | 104.5 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.2 | -42.9 | 174.8 | -73.1 | 179.5 | 13.3 | 0 | 0 | 111.7 | E326 E327 L333 A334 | E326-Q330 WeakPolarHBondContact O-CG 3.43Å; E326-Q330 PolarHBondContact O-N 2.88Å; E327-Q330 PolarHBondContact O-N 2.88Å; Q330-L333 PolarHBondContact O-N 3.46Å; Q330-A334 WeakPolarHBondContact O-CB 3.35Å; Q330-A334 PolarHBondContact O-N 2.93Å |
| 331 | H | 95.2 | Very high | 96.1 | Very high | 119 Ų | 119 | 105.1 Ų | 105.1 | 55% | 0.551 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 175.9 | -174.3 | -79.6 | 0 | 0 | 0 | 112.1 | E327 R328 L329 A334 N335 | E327-H331 PolarHBondContact O-N 2.96Å; R328-H331 PolarHBondContact O-N 3.32Å; L329-H331 VanDerWaalsContact C-N 3.32Å; L329-H331 PolarHBondContact O-N 2.88Å; H331-A334 PolarHBondContact O-N 3.25Å; H331-N335 PolarHBondContact CE1-ND2 2.85Å; H331-N335 PolarHBondContact ND1-ND2 3.37Å; H331-N335 WeakPolarHBondContact O-CB 3.44Å; H331-N335 PolarHBondContact O-N 3.21Å |
| 332 | L | 95.8 | Very high | 95.9 | Very high | 100 Ų | 100 | 105.1 Ų | 105.1 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 175.5 | -73.3 | 172.6 | 0 | 0 | 0 | 112.2 | R328 L329 N335 L336 | R328-L332 WeakPolarHBondContact O-CG 3.44Å; R328-L332 PolarHBondContact O-N 2.97Å; L329-L332 PolarHBondContact O-N 3.24Å; L332-N335 WeakPolarHBondContact O-CB 3.5Å; L332-N335 PolarHBondContact O-N 3.38Å; L332-L336 WeakPolarHBondContact O-CG 3.46Å; L332-L336 PolarHBondContact O-N 2.98Å |
| 333 | L | 96.6 | Very high | 95.7 | Very high | 114 Ų | 114 | 105.4 Ų | 105.4 | 60% | 0.597 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 176 | -75 | 170.7 | 0 | 0 | 0 | 112 | L329 Q330 N335 L336 R337 | L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 WeakPolarHBondContact O-CG 3.37Å; L329-L333 PolarHBondContact O-N 3.44Å; Q330-L333 PolarHBondContact O-N 3.46Å; L333-N335 VanDerWaalsContact C-N 3.32Å; L333-N335 PolarHBondContact O-N 3.35Å; L333-L336 PolarHBondContact O-N 3.04Å; L333-R337 WeakPolarHBondContact O-CB 3.45Å; L333-R337 PolarHBondContact O-N 3Å |
| 334 | A | 96.1 | Very high | 95.6 | Very high | 61 Ų | 61 | 107.4 Ų | 107.4 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q330 H331 R337 R338 | Q330-A334 WeakPolarHBondContact O-CB 3.35Å; Q330-A334 PolarHBondContact O-N 2.93Å; H331-A334 PolarHBondContact O-N 3.25Å; A334-R337 PolarHBondContact O-N 3.48Å; A334-R338 WeakPolarHBondContact O-CB 3.46Å; A334-R338 PolarHBondContact O-N 3.35Å |
| 335 | N | 96 | Very high | 95.5 | Very high | 60 Ų | 60 | 109.2 Ų | 109.2 | 32% | 0.321 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 174.9 | -85.1 | -14 | 0 | 0 | 0 | 112.8 | H331 L332 L333 R337 R338 L339 | H331-N335 PolarHBondContact CE1-ND2 2.85Å; H331-N335 PolarHBondContact ND1-ND2 3.37Å; H331-N335 WeakPolarHBondContact O-CB 3.44Å; H331-N335 PolarHBondContact O-N 3.21Å; L332-N335 WeakPolarHBondContact O-CB 3.5Å; L332-N335 PolarHBondContact O-N 3.38Å; L333-N335 VanDerWaalsContact C-N 3.32Å; L333-N335 PolarHBondContact O-N 3.35Å; N335-R337 VanDerWaalsContact C-N 3.35Å; N335-R338 PolarHBondContact O-N 2.87Å; N335-L339 WeakPolarHBondContact O-CG 3.5Å; N335-L339 PolarHBondContact O-N 3.3Å |
| 336 | L | 95.5 | Very high | 95.4 | Very high | 95 Ų | 95 | 111.1 Ų | 111.1 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.7 | -49.5 | 175.2 | -80.2 | 169.5 | 0 | 0 | 0 | 110.6 | L332 L333 R338 L339 E340 | L332-L336 WeakPolarHBondContact O-CG 3.46Å; L332-L336 PolarHBondContact O-N 2.98Å; L333-L336 PolarHBondContact O-N 3.04Å; L336-R338 VanDerWaalsContact C-N 3.3Å; L336-R338 PolarHBondContact O-N 3.33Å; L336-L339 WeakPolarHBondContact O-CB 3.38Å; L336-L339 PolarHBondContact O-N 2.93Å; L336-E340 WeakPolarHBondContact O-CG 3.38Å; L336-E340 PolarHBondContact O-N 3.3Å |
| 337 | R | 96.1 | Very high | 95.2 | Very high | 179 Ų | 179 | 108.2 Ų | 108.2 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59 | -41 | 178 | -164.1 | 177.1 | -172.9 | 171.9 | 3.6 | 112.5 | L333 A334 N335 E340 D341 | L333-R337 WeakPolarHBondContact O-CB 3.45Å; L333-R337 PolarHBondContact O-N 3Å; A334-R337 PolarHBondContact O-N 3.48Å; N335-R337 VanDerWaalsContact C-N 3.35Å; R337-E340 PolarHBondContact O-N 3.47Å; R337-D341 PolarHBondContact O-N 2.97Å |
| 338 | R | 95.2 | Very high | 95.1 | Very high | 161 Ų | 161 | 105.2 Ų | 105.2 | 61% | 0.608 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | 175 | -169.1 | -175.9 | 73.4 | 128.9 | 2.1 | 111.9 | A334 N335 L336 T342 | A334-R338 WeakPolarHBondContact O-CB 3.46Å; A334-R338 PolarHBondContact O-N 3.35Å; N335-R338 PolarHBondContact O-N 2.87Å; L336-R338 VanDerWaalsContact C-N 3.3Å; L336-R338 PolarHBondContact O-N 3.33Å; R338-T342 WeakPolarHBondContact O-CG2 3.47Å; R338-T342 PolarHBondContact O-N 2.68Å; R338-T342 VanDerWaalsContact O-N 3.1Å; R338-T342 PolarHBondContact O-OG1 3.27Å |
| 339 | L | 94.1 | Very high | 94.9 | Very high | 90 Ų | 90 | 102.3 Ų | 102.3 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 177.1 | -73.4 | 171.5 | 0 | 0 | 0 | 111.1 | N335 L336 T342 I343 | N335-L339 WeakPolarHBondContact O-CG 3.5Å; N335-L339 PolarHBondContact O-N 3.3Å; L336-L339 WeakPolarHBondContact O-CB 3.38Å; L336-L339 PolarHBondContact O-N 2.93Å; L339-T342 WeakPolarHBondContact CA-OG1 3.34Å; L339-T342 PolarHBondContact O-N 3.42Å; L339-T342 VanDerWaalsContact O-N 3.14Å; L339-T342 PolarHBondContact O-OG1 3.4Å; L339-I343 WeakPolarHBondContact O-CG1 3.37Å; L339-I343 PolarHBondContact O-N 3.01Å |
| 340 | E | 95.5 | Very high | 94.7 | Very high | 122 Ų | 122 | 102.5 Ų | 102.5 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56.9 | -50.1 | 174.1 | -71.8 | 170.9 | 164.8 | 0 | 0 | 111.4 | L336 R337 T342 I343 E344 | L336-E340 WeakPolarHBondContact O-CG 3.38Å; L336-E340 PolarHBondContact O-N 3.3Å; R337-E340 PolarHBondContact O-N 3.47Å; E340-T342 VanDerWaalsContact C-N 3.27Å; E340-T342 PolarHBondContact O-N 3.14Å; E340-I343 PolarHBondContact O-N 2.92Å; E340-I343 VanDerWaalsContact O-N 3.12Å; E340-E344 PolarHBondContact O-N 3.12Å |
| 341 | D | 94.6 | Very high | 94.6 | Very high | 77 Ų | 77 | 99.6 Ų | 99.6 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.8 | -37.9 | 175.3 | -78.1 | -1 | 0 | 0 | 0 | 112.4 | R337 K345 | R337-D341 PolarHBondContact O-N 2.97Å; D341-K345 WeakPolarHBondContact O-CB 3.34Å; D341-K345 WeakPolarHBondContact O-CD 3.31Å; D341-K345 VanDerWaalsContact O-CG 3.25Å; D341-K345 WeakPolarHBondContact O-CG 3.28Å; D341-K345 PolarHBondContact O-N 2.9Å |
| 342 | T | 93.9 | Very high | 94.5 | Very high | 52 Ų | 52 | 99.9 Ų | 99.9 | 32% | 0.319 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.7 | -37.8 | 177.5 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | R338 L339 E340 K345 Q346 | R338-T342 WeakPolarHBondContact O-CG2 3.47Å; R338-T342 PolarHBondContact O-N 2.68Å; R338-T342 VanDerWaalsContact O-N 3.1Å; R338-T342 PolarHBondContact O-OG1 3.27Å; L339-T342 WeakPolarHBondContact CA-OG1 3.34Å; L339-T342 PolarHBondContact O-N 3.42Å; L339-T342 VanDerWaalsContact O-N 3.14Å; L339-T342 PolarHBondContact O-OG1 3.4Å; E340-T342 VanDerWaalsContact C-N 3.27Å; E340-T342 PolarHBondContact O-N 3.14Å; T342-K345 PolarHBondContact O-N 3.1Å; T342-Q346 WeakPolarHBondContact O-CB 3.43Å; T342-Q346 VanDerWaalsContact O-CG 3.31Å; T342-Q346 WeakPolarHBondContact O-CG 3.47Å; T342-Q346 PolarHBondContact O-N 3.45Å |
| 343 | I | 93.3 | Very high | 94.2 | Very high | 109 Ų | 109 | 100.1 Ų | 100.1 | 56% | 0.559 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -43.6 | 175.8 | -70.7 | 167.7 | 0 | 0 | 0 | 109.5 | L339 E340 Q346 A347 | L339-I343 WeakPolarHBondContact O-CG1 3.37Å; L339-I343 PolarHBondContact O-N 3.01Å; E340-I343 PolarHBondContact O-N 2.92Å; E340-I343 VanDerWaalsContact O-N 3.12Å; I343-Q346 PolarHBondContact O-N 2.92Å; I343-A347 WeakPolarHBondContact O-CB 3.25Å; I343-A347 PolarHBondContact O-N 3.3Å |
| 344 | E | 94.3 | Very high | 94.1 | Very high | 140 Ų | 140 | 100.6 Ų | 100.6 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.3 | -44.9 | 177.2 | -171 | 175.7 | -168 | 0 | 0 | 111.9 | E340 Q346 A347 A348 | E340-E344 PolarHBondContact O-N 3.12Å; E344-Q346 PolarHBondContact O-N 3.45Å; E344-A347 PolarHBondContact O-N 2.83Å; E344-A348 PolarHBondContact O-N 2.9Å |
| 345 | K | 94.4 | Very high | 93.8 | Very high | 132 Ų | 132 | 100.1 Ų | 100.1 | 57% | 0.574 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -43.9 | 173.9 | -73.5 | 167.1 | -173.6 | 166.1 | 0 | 112.1 | D341 T342 A348 I349 | D341-K345 WeakPolarHBondContact O-CB 3.34Å; D341-K345 WeakPolarHBondContact O-CD 3.31Å; D341-K345 VanDerWaalsContact O-CG 3.25Å; D341-K345 WeakPolarHBondContact O-CG 3.28Å; D341-K345 PolarHBondContact O-N 2.9Å; T342-K345 PolarHBondContact O-N 3.1Å; K345-A348 PolarHBondContact O-N 2.89Å; K345-I349 VanDerWaalsContact O-CG1 3.32Å; K345-I349 WeakPolarHBondContact O-CG1 3.5Å; K345-I349 PolarHBondContact O-N 3.26Å |
| 346 | Q | 93.3 | Very high | 93.6 | Very high | 121 Ų | 121 | 103.7 Ų | 103.7 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65 | -42.1 | 177.3 | -76.4 | -178.9 | -6.9 | 0 | 0 | 111.7 | T342 I343 E344 A348 I349 I350 | T342-Q346 WeakPolarHBondContact O-CB 3.43Å; T342-Q346 VanDerWaalsContact O-CG 3.31Å; T342-Q346 WeakPolarHBondContact O-CG 3.47Å; T342-Q346 PolarHBondContact O-N 3.45Å; I343-Q346 PolarHBondContact O-N 2.92Å; E344-Q346 PolarHBondContact O-N 3.45Å; Q346-A348 VanDerWaalsContact C-N 3.33Å; Q346-A348 PolarHBondContact O-N 3.27Å; Q346-I349 PolarHBondContact O-N 3.45Å; Q346-I350 VanDerWaalsContact O-CG1 3.28Å; Q346-I350 WeakPolarHBondContact O-CG1 3.32Å; Q346-I350 PolarHBondContact O-N 3.06Å |
| 347 | A | 94.5 | Very high | 93.3 | Very high | 50 Ų | 50 | 106.8 Ų | 106.8 | 41% | 0.413 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I343 E344 I349 I350 S351 | I343-A347 WeakPolarHBondContact O-CB 3.25Å; I343-A347 PolarHBondContact O-N 3.3Å; E344-A347 PolarHBondContact O-N 2.83Å; A347-I349 PolarHBondContact O-N 2.95Å; A347-I350 PolarHBondContact O-N 3.38Å; A347-S351 PolarHBondContact O-N 3.38Å; A347-S351 PolarHBondContact O-OG 3.15Å |
| 348 | A | 93.1 | Very high | 93.1 | Very high | 53 Ų | 53 | 101 Ų | 101 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | E344 K345 Q346 S351 Q352 | E344-A348 PolarHBondContact O-N 2.9Å; K345-A348 PolarHBondContact O-N 2.89Å; Q346-A348 VanDerWaalsContact C-N 3.33Å; Q346-A348 PolarHBondContact O-N 3.27Å; A348-S351 PolarHBondContact O-N 2.93Å; A348-Q352 WeakPolarHBondContact O-CG 3.49Å; A348-Q352 PolarHBondContact O-N 2.89Å |
| 349 | I | 93.7 | Very high | 92.9 | Very high | 93 Ų | 93 | 98.8 Ų | 98.8 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 175.3 | -68.5 | 165.5 | 0 | 0 | 0 | 110.7 | K345 Q346 A347 S351 Q352 L353 | K345-I349 VanDerWaalsContact O-CG1 3.32Å; K345-I349 WeakPolarHBondContact O-CG1 3.5Å; K345-I349 PolarHBondContact O-N 3.26Å; Q346-I349 PolarHBondContact O-N 3.45Å; A347-I349 PolarHBondContact O-N 2.95Å; I349-S351 VanDerWaalsContact C-N 3.34Å; I349-S351 PolarHBondContact O-N 3.24Å; I349-Q352 PolarHBondContact O-N 3.49Å; I349-L353 HydrophobicContact CG2-CD1 4.04Å; I349-L353 HydrophobicContact CG2-CG 4.45Å; I349-L353 WeakPolarHBondContact O-CG 3.38Å; I349-L353 PolarHBondContact O-N 3.02Å |
| 350 | I | 92.1 | Very high | 92.6 | Very high | 92 Ų | 92 | 100.4 Ų | 100.4 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 177.1 | -71 | 166.7 | 0 | 0 | 0 | 110.1 | Q346 A347 Q352 L353 Q354 | Q346-I350 VanDerWaalsContact O-CG1 3.28Å; Q346-I350 WeakPolarHBondContact O-CG1 3.32Å; Q346-I350 PolarHBondContact O-N 3.06Å; A347-I350 PolarHBondContact O-N 3.38Å; I350-Q352 PolarHBondContact O-N 2.86Å; I350-L353 PolarHBondContact O-N 3.27Å; I350-Q354 HydrophobicContact CG2-CG 4.37Å; I350-Q354 WeakPolarHBondContact O-CB 3.49Å; I350-Q354 VanDerWaalsContact O-CG 3.31Å; I350-Q354 WeakPolarHBondContact O-CG 3.48Å; I350-Q354 PolarHBondContact O-N 3.44Å |
| 351 | S | 92.8 | Very high | 92.5 | Very high | 71 Ų | 71 | 97.3 Ų | 97.3 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 175.7 | -66.6 | 0 | 0 | 0 | 0 | 112.8 | A347 A348 I349 Q354 A355 | A347-S351 PolarHBondContact O-N 3.38Å; A347-S351 PolarHBondContact O-OG 3.15Å; A348-S351 PolarHBondContact O-N 2.93Å; I349-S351 VanDerWaalsContact C-N 3.34Å; I349-S351 PolarHBondContact O-N 3.24Å; S351-Q354 PolarHBondContact O-N 3.29Å; S351-A355 WeakPolarHBondContact O-CB 3.31Å; S351-A355 PolarHBondContact O-N 2.99Å |
| 352 | Q | 93.5 | Very high | 92.3 | Very high | 126 Ų | 126 | 97.6 Ų | 97.6 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.4 | -41.6 | 175.1 | -75.3 | -177 | 4.9 | 0 | 0 | 112.7 | A348 I349 I350 A355 K356 | A348-Q352 WeakPolarHBondContact O-CG 3.49Å; A348-Q352 PolarHBondContact O-N 2.89Å; I349-Q352 PolarHBondContact O-N 3.49Å; I350-Q352 PolarHBondContact O-N 2.86Å; Q352-A355 PolarHBondContact O-N 3.29Å; Q352-K356 WeakPolarHBondContact O-CG 3.42Å; Q352-K356 PolarHBondContact O-N 3.49Å |
| 353 | L | 90.7 | Very high | 91.9 | Very high | 105 Ų | 105 | 100.6 Ų | 100.6 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 176.4 | -76.6 | 173.2 | 0 | 0 | 0 | 111.5 | I349 I350 K356 Y357 | I349-L353 HydrophobicContact CG2-CD1 4.04Å; I349-L353 HydrophobicContact CG2-CG 4.45Å; I349-L353 WeakPolarHBondContact O-CG 3.38Å; I349-L353 PolarHBondContact O-N 3.02Å; I350-L353 PolarHBondContact O-N 3.27Å; L353-K356 PolarHBondContact O-N 3.12Å; L353-Y357 VanDerWaalsContact O-CB 3.29Å; L353-Y357 WeakPolarHBondContact O-CB 3.49Å; L353-Y357 PolarHBondContact O-N 2.92Å |
| 354 | Q | 92.5 | Very high | 91.6 | Very high | 123 Ų | 123 | 99.1 Ų | 99.1 | 58% | 0.575 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.2 | -42.2 | 173.7 | -76.2 | 175.3 | -22.4 | 0 | 0 | 111.8 | I350 S351 Y357 A358 | I350-Q354 HydrophobicContact CG2-CG 4.37Å; I350-Q354 WeakPolarHBondContact O-CB 3.49Å; I350-Q354 VanDerWaalsContact O-CG 3.31Å; I350-Q354 WeakPolarHBondContact O-CG 3.48Å; I350-Q354 PolarHBondContact O-N 3.44Å; S351-Q354 PolarHBondContact O-N 3.29Å; Q354-Y357 PolarHBondContact O-N 3.37Å; Q354-A358 WeakPolarHBondContact O-CB 3.29Å; Q354-A358 PolarHBondContact O-N 3.33Å |
| 355 | A | 91.1 | Very high | 91.4 | Very high | 52 Ų | 52 | 98.1 Ų | 98.1 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S351 Q352 Y357 A358 D359 | S351-A355 WeakPolarHBondContact O-CB 3.31Å; S351-A355 PolarHBondContact O-N 2.99Å; Q352-A355 PolarHBondContact O-N 3.29Å; A355-Y357 VanDerWaalsContact C-N 3.28Å; A355-Y357 PolarHBondContact O-N 2.86Å; A355-A358 WeakPolarHBondContact O-CB 3.4Å; A355-A358 PolarHBondContact O-N 3.41Å; A355-A358 VanDerWaalsContact O-N 3.12Å; A355-D359 PolarHBondContact O-N 2.94Å |
| 356 | K | 91.8 | Very high | 91.1 | Very high | 135 Ų | 135 | 96.4 Ų | 96.4 | 59% | 0.587 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.9 | -39.6 | 175.5 | -74.6 | 179.8 | 179.4 | 179.7 | 0 | 112.5 | Q352 L353 D359 Q360 | Q352-K356 WeakPolarHBondContact O-CG 3.42Å; Q352-K356 PolarHBondContact O-N 3.49Å; L353-K356 PolarHBondContact O-N 3.12Å; K356-D359 PolarHBondContact O-N 3.38Å; K356-Q360 WeakPolarHBondContact O-CB 2.68Å; K356-Q360 PolarHBondContact O-N 3.44Å |
| 357 | Y | 89.8 | Confident | 90.7 | Very high | 160 Ų | 160 | 92 Ų | 92 | 63% | 0.627 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67 | -39.8 | 177.2 | -170.2 | -98 | 0 | 0 | 0 | 111.3 | L353 Q354 A355 Q360 V361 | L353-Y357 VanDerWaalsContact O-CB 3.29Å; L353-Y357 WeakPolarHBondContact O-CB 3.49Å; L353-Y357 PolarHBondContact O-N 2.92Å; Q354-Y357 PolarHBondContact O-N 3.37Å; A355-Y357 VanDerWaalsContact C-N 3.28Å; A355-Y357 PolarHBondContact O-N 2.86Å; Y357-Q360 PolarHBondContact O-N 3.3Å; Y357-V361 HydrophobicContact CD1-CG2 4.06Å; Y357-V361 HydrophobicContact CE1-CG2 3.78Å; Y357-V361 VanDerWaalsContact O-CG2 3.29Å; Y357-V361 WeakPolarHBondContact O-CG2 3.23Å; Y357-V361 PolarHBondContact O-N 3.22Å |
| 358 | A | 91.5 | Very high | 90.3 | Very high | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q354 A355 Q360 V361 D362 | Q354-A358 WeakPolarHBondContact O-CB 3.29Å; Q354-A358 PolarHBondContact O-N 3.33Å; A355-A358 WeakPolarHBondContact O-CB 3.4Å; A355-A358 PolarHBondContact O-N 3.41Å; A355-A358 VanDerWaalsContact O-N 3.12Å; A358-Q360 VanDerWaalsContact C-N 3.32Å; A358-Q360 PolarHBondContact O-N 2.89Å; A358-V361 PolarHBondContact O-N 2.76Å; A358-D362 PolarHBondContact O-N 3.37Å |
| 359 | D | 90.4 | Very high | 90 | Very high | 114 Ų | 114 | 97.3 Ų | 97.3 | 61% | 0.61 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 174.8 | -68.2 | -22.2 | 0 | 0 | 0 | 111.5 | A355 K356 D362 E363 | A355-D359 PolarHBondContact O-N 2.94Å; K356-D359 PolarHBondContact O-N 3.38Å; D359-D362 PolarHBondContact O-N 2.96Å; D359-E363 PolarHBondContact O-N 2.9Å |
| 360 | Q | 88.4 | Confident | 89.8 | Confident | 124 Ų | 124 | 97.6 Ų | 97.6 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.8 | -38.6 | 177.9 | -169.2 | 177.8 | 6.3 | 0 | 0 | 111.9 | K356 Y357 A358 E363 T364 | K356-Q360 WeakPolarHBondContact O-CB 2.68Å; K356-Q360 PolarHBondContact O-N 3.44Å; Y357-Q360 PolarHBondContact O-N 3.3Å; A358-Q360 VanDerWaalsContact C-N 3.32Å; A358-Q360 PolarHBondContact O-N 2.89Å; Q360-E363 PolarHBondContact O-N 3Å; Q360-T364 WeakPolarHBondContact O-CG2 3.39Å; Q360-T364 PolarHBondContact O-N 3.18Å; Q360-T364 PolarHBondContact O-OG1 2.97Å |
| 361 | V | 92.3 | Very high | 89.4 | Confident | 56 Ų | 56 | 99 Ų | 99 | 34% | 0.339 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 173.4 | 168.4 | 0 | 0 | 0 | 0 | 110.1 | Y357 A358 E363 T364 Q365 | Y357-V361 HydrophobicContact CD1-CG2 4.06Å; Y357-V361 HydrophobicContact CE1-CG2 3.78Å; Y357-V361 VanDerWaalsContact O-CG2 3.29Å; Y357-V361 WeakPolarHBondContact O-CG2 3.23Å; Y357-V361 PolarHBondContact O-N 3.22Å; A358-V361 PolarHBondContact O-N 2.76Å; V361-E363 VanDerWaalsContact C-N 3.33Å; V361-E363 PolarHBondContact O-N 3.29Å; V361-T364 PolarHBondContact O-N 2.97Å; V361-T364 PolarHBondContact O-OG1 3.48Å; V361-Q365 PolarHBondContact O-N 3.25Å |
| 362 | D | 90.1 | Very high | 89 | Confident | 83 Ų | 83 | 101.7 Ų | 101.7 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 178.2 | -169.3 | 54.4 | 0 | 0 | 0 | 112.1 | A358 D359 Q365 K366 | A358-D362 PolarHBondContact O-N 3.37Å; D359-D362 PolarHBondContact O-N 2.96Å; D362-Q365 WeakPolarHBondContact O-CB 3.44Å; D362-Q365 PolarHBondContact O-N 2.97Å; D362-K366 WeakPolarHBondContact O-CG 3.12Å; D362-K366 PolarHBondContact O-N 2.91Å; D362-K366 WeakPolarHBondContact OD2-CE 3.5Å; D362-K366 IonicContact OD2-NZ 3.72Å; D362-K366 PolarHBondContact OD2-NZ 3.41Å |
| 363 | E | 87.2 | Confident | 88.9 | Confident | 116 Ų | 116 | 103.5 Ų | 103.5 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 178.2 | -161.6 | 58.3 | -151.4 | 0 | 0 | 112.8 | D359 Q360 V361 Q365 K366 G367 | D359-E363 PolarHBondContact O-N 2.9Å; Q360-E363 PolarHBondContact O-N 3Å; V361-E363 VanDerWaalsContact C-N 3.33Å; V361-E363 PolarHBondContact O-N 3.29Å; E363-Q365 VanDerWaalsContact C-N 3.27Å; E363-Q365 PolarHBondContact O-N 3.03Å; E363-K366 WeakPolarHBondContact O-CB 3.29Å; E363-K366 PolarHBondContact O-N 3.26Å; E363-K366 IonicContact OE2-NZ 3.65Å; E363-K366 PolarHBondContact OE2-NZ 2.96Å; E363-G367 PolarHBondContact O-N 3.4Å |
| 364 | T | 87.1 | Confident | 88.7 | Confident | 77 Ų | 77 | 104 Ų | 104 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.5 | -34.4 | 173.6 | 58.9 | 0 | 0 | 0 | 0 | 112.1 | Q360 V361 G367 I368 | Q360-T364 WeakPolarHBondContact O-CG2 3.39Å; Q360-T364 PolarHBondContact O-N 3.18Å; Q360-T364 PolarHBondContact O-OG1 2.97Å; V361-T364 PolarHBondContact O-N 2.97Å; V361-T364 PolarHBondContact O-OG1 3.48Å; T364-G367 PolarHBondContact O-N 3.32Å; T364-I368 WeakPolarHBondContact O-CG1 3.43Å; T364-I368 PolarHBondContact O-N 3.45Å |
| 365 | Q | 89.3 | Confident | 88.4 | Confident | 119 Ų | 119 | 105.5 Ų | 105.5 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.9 | -40.9 | 176.2 | -126.5 | 151.9 | -38.1 | 0 | 0 | 111.8 | V361 D362 E363 I368 H369 | V361-Q365 PolarHBondContact O-N 3.25Å; D362-Q365 WeakPolarHBondContact O-CB 3.44Å; D362-Q365 PolarHBondContact O-N 2.97Å; E363-Q365 VanDerWaalsContact C-N 3.27Å; E363-Q365 PolarHBondContact O-N 3.03Å; Q365-I368 PolarHBondContact O-N 3.22Å; Q365-H369 PolarHBondContact O-N 2.9Å; Q365-H369 VanDerWaalsContact O-N 3.09Å |
| 366 | K | 87.7 | Confident | 88.2 | Confident | 97 Ų | 97 | 108.6 Ų | 108.6 | 42% | 0.422 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 170 | -67.7 | 170.6 | -163.4 | 147.7 | 0 | 111.3 | D362 E363 I368 H369 I370 | D362-K366 WeakPolarHBondContact O-CG 3.12Å; D362-K366 PolarHBondContact O-N 2.91Å; D362-K366 WeakPolarHBondContact OD2-CE 3.5Å; D362-K366 IonicContact OD2-NZ 3.72Å; D362-K366 PolarHBondContact OD2-NZ 3.41Å; E363-K366 WeakPolarHBondContact O-CB 3.29Å; E363-K366 PolarHBondContact O-N 3.26Å; E363-K366 IonicContact OE2-NZ 3.65Å; E363-K366 PolarHBondContact OE2-NZ 2.96Å; K366-I368 PolarHBondContact O-N 3.27Å; K366-H369 WeakPolarHBondContact O-CB 3.36Å; K366-H369 PolarHBondContact O-N 2.96Å; K366-H369 VanDerWaalsContact O-N 3.08Å; K366-I370 WeakPolarHBondContact O-CG1 3.33Å; K366-I370 PolarHBondContact O-N 3.31Å |
| 367 | G | 85.7 | Confident | 88 | Confident | 29 Ų | 29 | 106.5 Ų | 106.5 | 30% | 0.299 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E363 T364 H369 I370 L371 | E363-G367 PolarHBondContact O-N 3.4Å; T364-G367 PolarHBondContact O-N 3.32Å; G367-H369 VanDerWaalsContact C-N 3.26Å; G367-H369 PolarHBondContact O-N 3.31Å; G367-I370 PolarHBondContact O-N 2.99Å; G367-L371 PolarHBondContact O-N 3.24Å |
| 368 | I | 85.1 | Confident | 87.8 | Confident | 90 Ų | 90 | 103.7 Ų | 103.7 | 46% | 0.462 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.6 | -38 | 174.7 | -70.6 | 166.8 | 0 | 0 | 0 | 111.1 | T364 Q365 K366 L371 R372 | T364-I368 WeakPolarHBondContact O-CG1 3.43Å; T364-I368 PolarHBondContact O-N 3.45Å; Q365-I368 PolarHBondContact O-N 3.22Å; K366-I368 PolarHBondContact O-N 3.27Å; I368-L371 PolarHBondContact O-N 3.36Å; I368-R372 PolarHBondContact O-N 3.47Å |
| 369 | H | 88.3 | Confident | 87.4 | Confident | 124 Ų | 124 | 105 Ų | 105 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.2 | -39.2 | 179.4 | -143.8 | -59.7 | 0 | 0 | 0 | 112.6 | Q365 K366 G367 R372 R373 | Q365-H369 PolarHBondContact O-N 2.9Å; Q365-H369 VanDerWaalsContact O-N 3.09Å; K366-H369 WeakPolarHBondContact O-CB 3.36Å; K366-H369 PolarHBondContact O-N 2.96Å; K366-H369 VanDerWaalsContact O-N 3.08Å; G367-H369 VanDerWaalsContact C-N 3.26Å; G367-H369 PolarHBondContact O-N 3.31Å; H369-R372 PolarHBondContact O-N 3.03Å; H369-R373 PolarHBondContact O-N 3Å |
| 370 | I | 88.3 | Confident | 87.3 | Confident | 98 Ų | 98 | 102.9 Ų | 102.9 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 174.8 | -64.9 | 168.7 | 0 | 0 | 0 | 110.5 | K366 G367 R372 R373 F374 | K366-I370 WeakPolarHBondContact O-CG1 3.33Å; K366-I370 PolarHBondContact O-N 3.31Å; G367-I370 PolarHBondContact O-N 2.99Å; I370-R372 VanDerWaalsContact C-N 3.29Å; I370-R372 PolarHBondContact O-N 3.44Å; I370-R373 WeakPolarHBondContact O-CB 3.45Å; I370-R373 PolarHBondContact O-N 2.79Å; I370-F374 HydrophobicContact CG2-CD2 4.03Å; I370-F374 HydrophobicContact CG2-CE2 3.78Å; I370-F374 PolarHBondContact O-N 3.04Å |
| 371 | L | 83.7 | Confident | 87 | Confident | 121 Ų | 121 | 101 Ų | 101 | 63% | 0.634 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.2 | -39.2 | 177.8 | -79.5 | 168 | 0 | 0 | 0 | 112.4 | G367 I368 F374 K375 | G367-L371 PolarHBondContact O-N 3.24Å; I368-L371 PolarHBondContact O-N 3.36Å; L371-F374 PolarHBondContact O-N 3.27Å; L371-K375 PolarHBondContact O-N 3.08Å |
| 372 | R | 85.5 | Confident | 86.6 | Confident | 129 Ų | 129 | 103.7 Ų | 103.7 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 176.1 | -168.2 | 177.7 | -59.1 | 143.4 | 4.5 | 111.7 | I368 H369 I370 K375 E376 | I368-R372 PolarHBondContact O-N 3.47Å; H369-R372 PolarHBondContact O-N 3.03Å; I370-R372 VanDerWaalsContact C-N 3.29Å; I370-R372 PolarHBondContact O-N 3.44Å; R372-K375 WeakPolarHBondContact O-CB 3.03Å; R372-K375 PolarHBondContact O-N 3.09Å; R372-E376 PolarHBondContact O-N 3.2Å |
| 373 | R | 90.5 | Very high | 86.3 | Confident | 164 Ų | 164 | 106.3 Ų | 106.3 | 62% | 0.619 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.7 | -46.4 | 176.3 | -175.2 | -178 | 177.1 | 156.5 | 4.3 | 111.9 | H369 I370 K375 E376 E377 | H369-R373 PolarHBondContact O-N 3Å; I370-R373 WeakPolarHBondContact O-CB 3.45Å; I370-R373 PolarHBondContact O-N 2.79Å; R373-K375 VanDerWaalsContact C-N 3.31Å; R373-K375 PolarHBondContact O-N 3.45Å; R373-E376 PolarHBondContact O-N 3.12Å; R373-E377 IonicContact NE-OE1 2.81Å; R373-E377 PolarHBondContact NE-OE1 2.69Å; R373-E377 PolarHBondContact O-N 3.1Å |
| 374 | F | 86.6 | Confident | 86.2 | Confident | 115 Ų | 115 | 106.1 Ų | 106.1 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 176.2 | -77.5 | -39.3 | 0 | 0 | 0 | 112.7 | I370 L371 E376 E377 I378 | I370-F374 HydrophobicContact CG2-CD2 4.03Å; I370-F374 HydrophobicContact CG2-CE2 3.78Å; I370-F374 PolarHBondContact O-N 3.04Å; L371-F374 PolarHBondContact O-N 3.27Å; F374-E376 VanDerWaalsContact C-N 3.33Å; F374-E376 PolarHBondContact O-N 3.3Å; F374-E377 PolarHBondContact O-N 3.07Å; F374-I378 VanDerWaalsContact O-CG1 3.27Å; F374-I378 WeakPolarHBondContact O-CG1 3.35Å; F374-I378 PolarHBondContact O-N 3.35Å |
| 375 | K | 86.5 | Confident | 85.9 | Confident | 154 Ų | 154 | 105 Ų | 105 | 67% | 0.67 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.2 | -43.7 | 175.5 | -172.8 | 178 | 179 | -179.6 | 0 | 111.6 | L371 R372 R373 I378 T379 | L371-K375 PolarHBondContact O-N 3.08Å; R372-K375 WeakPolarHBondContact O-CB 3.03Å; R372-K375 PolarHBondContact O-N 3.09Å; R373-K375 VanDerWaalsContact C-N 3.31Å; R373-K375 PolarHBondContact O-N 3.45Å; K375-I378 PolarHBondContact O-N 3.39Å; K375-T379 WeakPolarHBondContact O-CG2 3.45Å; K375-T379 PolarHBondContact O-N 3.17Å; K375-T379 PolarHBondContact O-OG1 3.07Å |
| 376 | E | 86 | Confident | 85.6 | Confident | 118 Ų | 118 | 103 Ų | 103 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.3 | -45.6 | 176.8 | -74.2 | 168.3 | -171.6 | 0 | 0 | 111.8 | R372 R373 F374 I378 T379 E380 | R372-E376 PolarHBondContact O-N 3.2Å; R373-E376 PolarHBondContact O-N 3.12Å; F374-E376 VanDerWaalsContact C-N 3.33Å; F374-E376 PolarHBondContact O-N 3.3Å; E376-I378 VanDerWaalsContact C-N 3.33Å; E376-I378 PolarHBondContact O-N 3.42Å; E376-T379 WeakPolarHBondContact CA-OG1 3.43Å; E376-T379 PolarHBondContact O-N 3.45Å; E376-T379 VanDerWaalsContact O-N 3.16Å; E376-T379 PolarHBondContact O-OG1 3.05Å; E376-E380 PolarHBondContact O-N 3.42Å |
| 377 | E | 88 | Confident | 85.3 | Confident | 90 Ų | 90 | 102.9 Ų | 102.9 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 176.8 | -72.3 | 174.1 | -171.1 | 0 | 0 | 112.4 | R373 F374 E380 T381 | R373-E377 IonicContact NE-OE1 2.81Å; R373-E377 PolarHBondContact NE-OE1 2.69Å; R373-E377 PolarHBondContact O-N 3.1Å; F374-E377 PolarHBondContact O-N 3.07Å; E377-E380 PolarHBondContact O-N 3.25Å; E377-T381 WeakPolarHBondContact O-CG2 3.49Å; E377-T381 PolarHBondContact O-N 3.41Å; E377-T381 PolarHBondContact O-OG1 3.36Å |
| 378 | I | 86.3 | Confident | 85 | Confident | 102 Ų | 102 | 110.8 Ų | 110.8 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 174.1 | -70.1 | 167.4 | 0 | 0 | 0 | 111.2 | F374 K375 E376 E380 T381 N382 | F374-I378 VanDerWaalsContact O-CG1 3.27Å; F374-I378 WeakPolarHBondContact O-CG1 3.35Å; F374-I378 PolarHBondContact O-N 3.35Å; K375-I378 PolarHBondContact O-N 3.39Å; E376-I378 VanDerWaalsContact C-N 3.33Å; E376-I378 PolarHBondContact O-N 3.42Å; I378-E380 PolarHBondContact O-N 3Å; I378-T381 WeakPolarHBondContact CA-OG1 3.44Å; I378-T381 PolarHBondContact O-N 2.95Å; I378-T381 PolarHBondContact O-OG1 3.24Å; I378-N382 WeakPolarHBondContact O-CB 3.44Å; I378-N382 PolarHBondContact O-N 3.41Å |
| 379 | T | 83.3 | Confident | 84.7 | Confident | 84 Ų | 84 | 109.2 Ų | 109.2 | 52% | 0.515 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 178.4 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | K375 E376 N382 R383 | K375-T379 WeakPolarHBondContact O-CG2 3.45Å; K375-T379 PolarHBondContact O-N 3.17Å; K375-T379 PolarHBondContact O-OG1 3.07Å; E376-T379 WeakPolarHBondContact CA-OG1 3.43Å; E376-T379 PolarHBondContact O-N 3.45Å; E376-T379 VanDerWaalsContact O-N 3.16Å; E376-T379 PolarHBondContact O-OG1 3.05Å; T379-N382 PolarHBondContact O-N 3.04Å; T379-R383 PolarHBondContact O-N 3.48Å |
| 380 | E | 87.2 | Confident | 84.3 | Confident | 71 Ų | 71 | 109.6 Ų | 109.6 | 33% | 0.332 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.7 | -37.6 | 179.4 | -177.4 | 56 | -158.9 | 0 | 0 | 112.1 | E376 E377 I378 R383 K384 | E376-E380 PolarHBondContact O-N 3.42Å; E377-E380 PolarHBondContact O-N 3.25Å; I378-E380 PolarHBondContact O-N 3Å; E380-R383 PolarHBondContact O-N 3.39Å; E380-R383 IonicContact OE1-CZ 3.99Å; E380-R383 IonicContact OE1-NE 3.24Å; E380-R383 IonicContact OE1-NH2 3.47Å; E380-R383 PolarHBondContact OE1-NH2 3.47Å; E380-R383 IonicContact OE2-CZ 3.86Å; E380-R383 IonicContact OE2-NE 2.62Å; E380-R383 PolarHBondContact OE2-NE 2.98Å; E380-R383 IonicContact OE2-NH2 3.22Å; E380-K384 WeakPolarHBondContact O-CG 3.46Å; E380-K384 PolarHBondContact O-N 3.04Å; E380-K384 VanDerWaalsContact OE1-CE 3.31Å; E380-K384 WeakPolarHBondContact OE1-CE 3.27Å |
| 381 | T | 82.2 | Confident | 83.9 | Confident | 85 Ų | 85 | 109.2 Ų | 109.2 | 52% | 0.521 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 173.7 | 48.6 | 0 | 0 | 0 | 0 | 112 | E377 I378 R383 K384 A385 | E377-T381 WeakPolarHBondContact O-CG2 3.49Å; E377-T381 PolarHBondContact O-N 3.41Å; E377-T381 PolarHBondContact O-OG1 3.36Å; I378-T381 WeakPolarHBondContact CA-OG1 3.44Å; I378-T381 PolarHBondContact O-N 2.95Å; I378-T381 PolarHBondContact O-OG1 3.24Å; T381-R383 PolarHBondContact O-N 3.43Å; T381-K384 PolarHBondContact O-N 3.47Å; T381-A385 PolarHBondContact O-N 3.46Å |
| 382 | N | 85.2 | Confident | 83.6 | Confident | 111 Ų | 111 | 105.8 Ų | 105.8 | 59% | 0.594 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 173 | -100.4 | -18.8 | 0 | 0 | 0 | 112.5 | I378 T379 K384 A385 S386 | I378-N382 WeakPolarHBondContact O-CB 3.44Å; I378-N382 PolarHBondContact O-N 3.41Å; T379-N382 PolarHBondContact O-N 3.04Å; N382-K384 VanDerWaalsContact C-N 3.33Å; N382-K384 PolarHBondContact O-N 3.18Å; N382-A385 PolarHBondContact O-N 2.97Å; N382-S386 PolarHBondContact O-N 3.4Å |
| 383 | R | 82.6 | Confident | 83.3 | Confident | 139 Ų | 139 | 103.4 Ų | 103.4 | 53% | 0.525 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 176 | -164.5 | -173.4 | 70.7 | 80.8 | 3.2 | 111.4 | T379 E380 T381 L387 | T379-R383 PolarHBondContact O-N 3.48Å; E380-R383 PolarHBondContact O-N 3.39Å; E380-R383 IonicContact OE1-CZ 3.99Å; E380-R383 IonicContact OE1-NE 3.24Å; E380-R383 IonicContact OE1-NH2 3.47Å; E380-R383 PolarHBondContact OE1-NH2 3.47Å; E380-R383 IonicContact OE2-CZ 3.86Å; E380-R383 IonicContact OE2-NE 2.62Å; E380-R383 PolarHBondContact OE2-NE 2.98Å; E380-R383 IonicContact OE2-NH2 3.22Å; T381-R383 PolarHBondContact O-N 3.43Å; R383-L387 PolarHBondContact O-N 3.22Å |
| 384 | K | 85 | Confident | 82.9 | Confident | 112 Ų | 112 | 101.9 Ų | 101.9 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 175.6 | -73.1 | 174.1 | -178.7 | 174.1 | 0 | 112.5 | E380 T381 N382 L387 R388 | E380-K384 WeakPolarHBondContact O-CG 3.46Å; E380-K384 PolarHBondContact O-N 3.04Å; E380-K384 VanDerWaalsContact OE1-CE 3.31Å; E380-K384 WeakPolarHBondContact OE1-CE 3.27Å; T381-K384 PolarHBondContact O-N 3.47Å; N382-K384 VanDerWaalsContact C-N 3.33Å; N382-K384 PolarHBondContact O-N 3.18Å; K384-L387 PolarHBondContact O-N 3.3Å; K384-R388 PolarHBondContact O-N 3.05Å |
| 385 | A | 80.4 | Confident | 82.6 | Confident | 53 Ų | 53 | 102.5 Ų | 102.5 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T381 N382 L387 R388 A389 | T381-A385 PolarHBondContact O-N 3.46Å; N382-A385 PolarHBondContact O-N 2.97Å; A385-L387 VanDerWaalsContact C-N 3.33Å; A385-L387 PolarHBondContact O-N 2.91Å; A385-R388 PolarHBondContact O-N 2.93Å; A385-A389 PolarHBondContact O-N 3.16Å |
| 386 | S | 84.5 | Confident | 82.1 | Confident | 78 Ų | 78 | 101.9 Ų | 101.9 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 176.3 | -177 | 0 | 0 | 0 | 0 | 112.1 | N382 R388 A389 Q390 | N382-S386 PolarHBondContact O-N 3.4Å; S386-R388 VanDerWaalsContact C-N 3.35Å; S386-R388 PolarHBondContact O-N 3.02Å; S386-A389 PolarHBondContact O-N 3.19Å; S386-Q390 PolarHBondContact O-N 2.97Å |
| 387 | L | 80.4 | Confident | 81.8 | Confident | 93 Ų | 93 | 102.4 Ų | 102.4 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 177 | -150.3 | 82.2 | 0 | 0 | 0 | 112.1 | R383 K384 A385 Q390 I391 | R383-L387 PolarHBondContact O-N 3.22Å; K384-L387 PolarHBondContact O-N 3.3Å; A385-L387 VanDerWaalsContact C-N 3.33Å; A385-L387 PolarHBondContact O-N 2.91Å; L387-Q390 PolarHBondContact O-N 3.47Å; L387-I391 WeakPolarHBondContact O-CG1 3.34Å; L387-I391 PolarHBondContact O-N 2.97Å; L387-I391 VanDerWaalsContact O-N 3.13Å |
| 388 | R | 79.9 | Confident | 81.5 | Confident | 195 Ų | 195 | 104.3 Ų | 104.3 | 74% | 0.736 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65 | -41.9 | 176.3 | -71.5 | -175.6 | -174.6 | -173 | 1.9 | 112.3 | K384 A385 S386 Q390 I391 A392 | K384-R388 PolarHBondContact O-N 3.05Å; A385-R388 PolarHBondContact O-N 2.93Å; S386-R388 VanDerWaalsContact C-N 3.35Å; S386-R388 PolarHBondContact O-N 3.02Å; R388-Q390 VanDerWaalsContact C-N 3.3Å; R388-Q390 PolarHBondContact O-N 3.19Å; R388-I391 PolarHBondContact O-N 3.19Å; R388-A392 PolarHBondContact O-N 3.02Å; R388-A392 VanDerWaalsContact O-N 3.1Å |
| 389 | A | 78.8 | Confident | 81.2 | Confident | 58 Ų | 58 | 103.8 Ų | 103.8 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A385 S386 I391 A392 V393 | A385-A389 PolarHBondContact O-N 3.16Å; S386-A389 PolarHBondContact O-N 3.19Å; A389-I391 PolarHBondContact O-N 3.42Å; A389-A392 PolarHBondContact O-N 3.02Å; A389-V393 WeakPolarHBondContact O-CG2 3.4Å; A389-V393 PolarHBondContact O-N 3.42Å |
| 390 | Q | 80.3 | Confident | 81 | Confident | 132 Ų | 132 | 106 Ų | 106 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.4 | -37.5 | 178.1 | -143.7 | 174.8 | 47.4 | 0 | 0 | 112.7 | S386 L387 R388 Q394 | S386-Q390 PolarHBondContact O-N 2.97Å; L387-Q390 PolarHBondContact O-N 3.47Å; R388-Q390 VanDerWaalsContact C-N 3.3Å; R388-Q390 PolarHBondContact O-N 3.19Å; Q390-Q394 PolarHBondContact O-N 2.95Å |
| 391 | I | 80 | Confident | 80.6 | Confident | 90 Ų | 90 | 109 Ų | 109 | 46% | 0.462 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.7 | -42 | 174.5 | -67.9 | 165.8 | 0 | 0 | 0 | 111.1 | L387 R388 A389 V393 Q394 Q395 | L387-I391 WeakPolarHBondContact O-CG1 3.34Å; L387-I391 PolarHBondContact O-N 2.97Å; L387-I391 VanDerWaalsContact O-N 3.13Å; R388-I391 PolarHBondContact O-N 3.19Å; A389-I391 PolarHBondContact O-N 3.42Å; I391-V393 PolarHBondContact O-N 3.45Å; I391-Q394 PolarHBondContact O-N 3.29Å; I391-Q395 PolarHBondContact O-N 2.81Å; I391-Q395 VanDerWaalsContact O-N 3.08Å |
| 392 | A | 76.9 | Confident | 80.4 | Confident | 49 Ų | 49 | 111.9 Ų | 111.9 | 41% | 0.405 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.5 | -44.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R388 A389 Q394 Q395 E396 | R388-A392 PolarHBondContact O-N 3.02Å; R388-A392 VanDerWaalsContact O-N 3.1Å; A389-A392 PolarHBondContact O-N 3.02Å; A392-Q394 VanDerWaalsContact C-N 3.32Å; A392-Q394 PolarHBondContact O-N 3.04Å; A392-Q395 PolarHBondContact O-N 3.26Å; A392-Q395 VanDerWaalsContact O-N 3.15Å; A392-E396 PolarHBondContact O-N 3.3Å |
| 393 | V | 78.6 | Confident | 80.1 | Confident | 78 Ų | 78 | 112.6 Ų | 112.6 | 47% | 0.473 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.1 | -37.1 | 177 | 172.5 | 0 | 0 | 0 | 0 | 112.3 | A389 I391 K397 | A389-V393 WeakPolarHBondContact O-CG2 3.4Å; A389-V393 PolarHBondContact O-N 3.42Å; I391-V393 PolarHBondContact O-N 3.45Å; V393-K397 PolarHBondContact O-N 3.47Å |
| 394 | Q | 81.9 | Confident | 80.1 | Confident | 132 Ų | 132 | 110.7 Ų | 110.7 | 62% | 0.617 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69 | -34.7 | 176 | -77.1 | -79 | -9.8 | 0 | 0 | 112.3 | Q390 I391 A392 K398 | Q390-Q394 PolarHBondContact O-N 2.95Å; I391-Q394 PolarHBondContact O-N 3.29Å; A392-Q394 VanDerWaalsContact C-N 3.32Å; A392-Q394 PolarHBondContact O-N 3.04Å; Q394-K398 PolarHBondContact O-N 3.28Å |
| 395 | Q | 79.9 | Confident | 79.8 | Confident | 128 Ų | 128 | 111.3 Ų | 111.3 | 60% | 0.598 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.2 | -42.6 | 176.1 | -72.8 | 177.8 | -19.9 | 0 | 0 | 111.7 | I391 A392 K397 K398 V399 | I391-Q395 PolarHBondContact O-N 2.81Å; I391-Q395 VanDerWaalsContact O-N 3.08Å; A392-Q395 PolarHBondContact O-N 3.26Å; A392-Q395 VanDerWaalsContact O-N 3.15Å; Q395-K397 PolarHBondContact O-N 3.2Å; Q395-K398 PolarHBondContact O-N 3.32Å; Q395-K398 VanDerWaalsContact O-N 3.17Å; Q395-V399 PolarHBondContact O-N 3.37Å |
| 396 | E | 77.7 | Confident | 79.6 | Confident | 141 Ų | 141 | 113.6 Ų | 113.6 | 66% | 0.659 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -55.4 | -48.4 | 175.2 | -106.6 | 174.9 | 172.9 | 0 | 0 | 112.3 | A392 K398 V399 E400 | A392-E396 PolarHBondContact O-N 3.3Å; E396-K398 VanDerWaalsContact C-N 3.26Å; E396-K398 PolarHBondContact O-N 3.13Å; E396-V399 PolarHBondContact O-N 3.1Å; E396-V399 VanDerWaalsContact O-N 3.12Å; E396-E400 PolarHBondContact O-N 3.43Å |
| 397 | K | 79.4 | Confident | 79.2 | Confident | 129 Ų | 129 | 114.6 Ų | 114.6 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -57.6 | -36.5 | 177.8 | -82 | -175.5 | 173.9 | -178.8 | 0 | 113.7 | V393 Q395 Q401 | V393-K397 PolarHBondContact O-N 3.47Å; Q395-K397 PolarHBondContact O-N 3.2Å; K397-Q401 WeakPolarHBondContact O-CG 3.31Å; K397-Q401 PolarHBondContact O-N 3.01Å |
| 398 | K | 81.2 | Confident | 79.3 | Confident | 131 Ų | 131 | 119.6 Ų | 119.6 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.6 | -37.5 | 178.6 | -108.2 | -177.4 | 176.5 | -178.9 | 0 | 112.1 | Q394 Q395 E396 Y402 | Q394-K398 PolarHBondContact O-N 3.28Å; Q395-K398 PolarHBondContact O-N 3.32Å; Q395-K398 VanDerWaalsContact O-N 3.17Å; E396-K398 VanDerWaalsContact C-N 3.26Å; E396-K398 PolarHBondContact O-N 3.13Å; K398-Y402 VanDerWaalsContact O-CD2 3.29Å; K398-Y402 WeakPolarHBondContact O-CD2 3.39Å; K398-Y402 PolarHBondContact O-N 3.45Å |
| 399 | V | 79.5 | Confident | 79 | Confident | 90 Ų | 90 | 116.3 Ų | 116.3 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66 | -45.7 | 177 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | Q395 E396 Q401 Y402 E403 | Q395-V399 PolarHBondContact O-N 3.37Å; E396-V399 PolarHBondContact O-N 3.1Å; E396-V399 VanDerWaalsContact O-N 3.12Å; V399-Q401 VanDerWaalsContact C-N 3.31Å; V399-Q401 PolarHBondContact O-N 3.37Å; V399-Y402 PolarHBondContact O-N 3.24Å; V399-Y402 VanDerWaalsContact O-N 3.13Å; V399-E403 PolarHBondContact O-N 3.15Å |
| 400 | E | 79 | Confident | 79 | Confident | 130 Ų | 130 | 121 Ų | 121 | 61% | 0.607 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.9 | -39.3 | 179 | -168 | 169.5 | -155.1 | 0 | 0 | 112.1 | E396 E403 V404 | E396-E400 PolarHBondContact O-N 3.43Å; E400-E403 PolarHBondContact O-N 3.3Å; E400-V404 WeakPolarHBondContact O-CG2 3.35Å; E400-V404 PolarHBondContact O-N 3.37Å; E400-V404 VanDerWaalsContact O-N 3.17Å |
| 401 | Q | 78.8 | Confident | 78.9 | Confident | 136 Ų | 136 | 122.4 Ų | 122.4 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.6 | -45.8 | 173.1 | -78.5 | -179.1 | -10.1 | 0 | 0 | 112.8 | K397 V399 E403 V404 E405 | K397-Q401 WeakPolarHBondContact O-CG 3.31Å; K397-Q401 PolarHBondContact O-N 3.01Å; V399-Q401 VanDerWaalsContact C-N 3.31Å; V399-Q401 PolarHBondContact O-N 3.37Å; Q401-E403 VanDerWaalsContact C-N 3.34Å; Q401-E403 PolarHBondContact O-N 3.33Å; Q401-V404 PolarHBondContact O-N 3.04Å; Q401-E405 PolarHBondContact O-N 3.25Å |
| 402 | Y | 79.2 | Confident | 78.8 | Confident | 145 Ų | 145 | 124.7 Ų | 124.7 | 57% | 0.569 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.7 | -33.9 | 178.6 | -69.4 | -40.1 | 0 | 0 | 0 | 112.8 | K398 V399 E405 L406 | K398-Y402 VanDerWaalsContact O-CD2 3.29Å; K398-Y402 WeakPolarHBondContact O-CD2 3.39Å; K398-Y402 PolarHBondContact O-N 3.45Å; V399-Y402 PolarHBondContact O-N 3.24Å; V399-Y402 VanDerWaalsContact O-N 3.13Å; Y402-E405 PolarHBondContact O-N 3.23Å; Y402-L406 WeakPolarHBondContact O-CB 3.49Å; Y402-L406 PolarHBondContact O-N 3.47Å |
| 403 | E | 79.3 | Confident | 78.8 | Confident | 125 Ų | 125 | 128.5 Ų | 128.5 | 58% | 0.584 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.7 | -44.1 | 176 | -105.6 | -177.7 | 162 | 0 | 0 | 112.7 | V399 E400 Q401 E405 L406 N407 | V399-E403 PolarHBondContact O-N 3.15Å; E400-E403 PolarHBondContact O-N 3.3Å; Q401-E403 VanDerWaalsContact C-N 3.34Å; Q401-E403 PolarHBondContact O-N 3.33Å; E403-E405 VanDerWaalsContact C-N 3.32Å; E403-E405 PolarHBondContact O-N 3.08Å; E403-L406 PolarHBondContact O-N 3.37Å; E403-N407 PolarHBondContact O-N 3.21Å |
| 404 | V | 80.7 | Confident | 78.7 | Confident | 100 Ų | 100 | 131.2 Ų | 131.2 | 61% | 0.606 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.8 | -42.7 | 176.7 | 172.5 | 0 | 0 | 0 | 0 | 111 | E400 Q401 N407 R408 | E400-V404 WeakPolarHBondContact O-CG2 3.35Å; E400-V404 PolarHBondContact O-N 3.37Å; E400-V404 VanDerWaalsContact O-N 3.17Å; Q401-V404 PolarHBondContact O-N 3.04Å; V404-N407 PolarHBondContact O-N 3.12Å; V404-R408 PolarHBondContact O-N 3.18Å; V404-R408 VanDerWaalsContact O-N 3.11Å |
| 405 | E | 79.9 | Confident | 78.5 | Confident | 124 Ų | 124 | 127.9 Ų | 127.9 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.1 | -41.1 | -179.1 | -161.9 | 165.4 | -157.3 | 0 | 0 | 112.3 | Q401 Y402 E403 R408 M409 | Q401-E405 PolarHBondContact O-N 3.25Å; Y402-E405 PolarHBondContact O-N 3.23Å; E403-E405 VanDerWaalsContact C-N 3.32Å; E403-E405 PolarHBondContact O-N 3.08Å; E405-R408 PolarHBondContact O-N 3.11Å; E405-M409 PolarHBondContact O-N 3.17Å |
| 406 | L | 76.8 | Confident | 78.1 | Confident | 101 Ų | 101 | 126.5 Ų | 126.5 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.1 | -44.9 | 172.8 | -104.4 | 157.1 | 0 | 0 | 0 | 112.1 | Y402 E403 R408 M409 R410 | Y402-L406 WeakPolarHBondContact O-CB 3.49Å; Y402-L406 PolarHBondContact O-N 3.47Å; E403-L406 PolarHBondContact O-N 3.37Å; L406-R408 VanDerWaalsContact C-N 3.34Å; L406-R408 PolarHBondContact O-N 3.45Å; L406-M409 PolarHBondContact O-N 3.47Å; L406-R410 WeakPolarHBondContact O-CB 3.42Å; L406-R410 PolarHBondContact O-N 3.02Å |
| 407 | N | 76.3 | Confident | 78.2 | Confident | 99 Ų | 99 | 125.5 Ų | 125.5 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.7 | -37.4 | 178.9 | -91.9 | -19.7 | 0 | 0 | 0 | 112.8 | E403 V404 R410 K411 | E403-N407 PolarHBondContact O-N 3.21Å; V404-N407 PolarHBondContact O-N 3.12Å; N407-R410 PolarHBondContact O-N 3.47Å; N407-K411 PolarHBondContact O-N 3.17Å; N407-K411 VanDerWaalsContact O-N 3.12Å |
| 408 | R | 82 | Confident | 78 | Confident | 198 Ų | 198 | 124 Ų | 124 | 75% | 0.747 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.7 | -44.1 | 175.4 | 179.5 | -178.7 | 150.4 | 113.3 | -2.7 | 111.8 | V404 E405 L406 K412 | V404-R408 PolarHBondContact O-N 3.18Å; V404-R408 VanDerWaalsContact O-N 3.11Å; E405-R408 PolarHBondContact O-N 3.11Å; L406-R408 VanDerWaalsContact C-N 3.34Å; L406-R408 PolarHBondContact O-N 3.45Å; R408-K412 PolarHBondContact O-N 3.45Å |
| 409 | M | 74.1 | Confident | 77.9 | Confident | 127 Ų | 127 | 123.7 Ų | 123.7 | 63% | 0.626 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.7 | -38.6 | 176.5 | -73.2 | -64.5 | -127 | 0 | 0 | 111.9 | E405 L406 K412 M413 | E405-M409 PolarHBondContact O-N 3.17Å; L406-M409 PolarHBondContact O-N 3.47Å; M409-K412 PolarHBondContact O-N 3.47Å; M409-M413 PolarHBondContact O-N 2.96Å; M409-M413 VanDerWaalsContact O-N 3.13Å |
| 410 | R | 77.6 | Confident | 77.7 | Confident | 157 Ų | 157 | 124.7 Ų | 124.7 | 59% | 0.592 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.6 | -48.5 | 177.9 | -140.3 | -176.5 | -66.1 | -116.3 | 5 | 112 | L406 N407 K412 M413 E414 | L406-R410 WeakPolarHBondContact O-CB 3.42Å; L406-R410 PolarHBondContact O-N 3.02Å; N407-R410 PolarHBondContact O-N 3.47Å; R410-K412 VanDerWaalsContact C-N 3.3Å; R410-K412 PolarHBondContact O-N 3.45Å; R410-M413 PolarHBondContact O-N 3.13Å; R410-E414 PolarHBondContact O-N 3.48Å; R410-E414 VanDerWaalsContact O-N 3.12Å |
| 411 | K | 77.4 | Confident | 77.6 | Confident | 160 Ų | 160 | 122.9 Ų | 122.9 | 70% | 0.696 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.3 | -36.1 | 175.4 | -81 | -174.8 | 174.5 | -179.1 | 0 | 113.5 | N407 S415 | N407-K411 PolarHBondContact O-N 3.17Å; N407-K411 VanDerWaalsContact O-N 3.12Å; K411-S415 PolarHBondContact O-N 3Å; K411-S415 VanDerWaalsContact O-N 3.11Å |
| 412 | K | 79.3 | Confident | 77.5 | Confident | 139 Ų | 139 | 122.5 Ų | 122.5 | 60% | 0.604 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.4 | -42.9 | 178.4 | -160.8 | 85.5 | -178.2 | -178.7 | 0 | 111.1 | R408 M409 R410 S415 L416 | R408-K412 PolarHBondContact O-N 3.45Å; M409-K412 PolarHBondContact O-N 3.47Å; R410-K412 VanDerWaalsContact C-N 3.3Å; R410-K412 PolarHBondContact O-N 3.45Å; K412-S415 PolarHBondContact O-N 3.44Å; K412-S415 PolarHBondContact O-OG 3.24Å; K412-L416 WeakPolarHBondContact O-CG 3.43Å; K412-L416 PolarHBondContact O-N 3.2Å; K412-L416 VanDerWaalsContact O-N 3.14Å |
| 413 | M | 75.8 | Confident | 77.3 | Confident | 128 Ų | 128 | 120.3 Ų | 120.3 | 63% | 0.631 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.8 | -42.2 | 178.8 | -158.7 | -179.2 | -63.7 | 0 | 0 | 111.6 | M409 R410 L416 Q417 | M409-M413 PolarHBondContact O-N 2.96Å; M409-M413 VanDerWaalsContact O-N 3.13Å; R410-M413 PolarHBondContact O-N 3.13Å; M413-L416 PolarHBondContact O-N 3.34Å; M413-Q417 WeakPolarHBondContact O-CB 3.29Å; M413-Q417 PolarHBondContact O-N 3.35Å |
| 414 | E | 77.7 | Confident | 77.1 | Confident | 135 Ų | 135 | 116.9 Ų | 116.9 | 63% | 0.631 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.9 | -43.9 | 176.6 | -154.1 | 167.5 | -147.4 | 0 | 0 | 111.7 | R410 L416 Q417 D418 | R410-E414 PolarHBondContact O-N 3.48Å; R410-E414 VanDerWaalsContact O-N 3.12Å; E414-L416 PolarHBondContact O-N 3.46Å; E414-Q417 PolarHBondContact O-N 3.06Å; E414-D418 PolarHBondContact O-N 2.8Å; E414-D418 VanDerWaalsContact O-N 3.09Å |
| 415 | S | 76.3 | Confident | 76.8 | Confident | 63 Ų | 63 | 116.4 Ų | 116.4 | 44% | 0.441 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.8 | -40.7 | 176.8 | 72.3 | 0 | 0 | 0 | 0 | 113.8 | K411 K412 Q417 E419 | K411-S415 PolarHBondContact O-N 3Å; K411-S415 VanDerWaalsContact O-N 3.11Å; K412-S415 PolarHBondContact O-N 3.44Å; K412-S415 PolarHBondContact O-OG 3.24Å; S415-Q417 VanDerWaalsContact C-N 3.29Å; S415-Q417 PolarHBondContact O-N 2.94Å; S415-E419 PolarHBondContact O-N 3.13Å; S415-E419 VanDerWaalsContact O-N 3.13Å |
| 416 | L | 72.9 | Confident | 76.6 | Confident | 99 Ų | 99 | 117.4 Ų | 117.4 | 52% | 0.518 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.3 | -30.9 | 178.7 | -75.6 | 170.1 | 0 | 0 | 0 | 111.6 | K412 M413 E414 N420 | K412-L416 WeakPolarHBondContact O-CG 3.43Å; K412-L416 PolarHBondContact O-N 3.2Å; K412-L416 VanDerWaalsContact O-N 3.14Å; M413-L416 PolarHBondContact O-N 3.34Å; E414-L416 PolarHBondContact O-N 3.46Å; L416-N420 PolarHBondContact O-N 3.12Å; L416-N420 VanDerWaalsContact O-N 3.16Å |
| 417 | Q | 79.5 | Confident | 76.6 | Confident | 120 Ų | 120 | 118 Ų | 118 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -73.1 | -40.9 | 178.1 | -170.5 | 144.3 | -17.3 | 0 | 0 | 112.2 | M413 E414 S415 N420 N421 | M413-Q417 WeakPolarHBondContact O-CB 3.29Å; M413-Q417 PolarHBondContact O-N 3.35Å; E414-Q417 PolarHBondContact O-N 3.06Å; S415-Q417 VanDerWaalsContact C-N 3.29Å; S415-Q417 PolarHBondContact O-N 2.94Å; Q417-N420 PolarHBondContact O-N 3.25Å; Q417-N421 VanDerWaalsContact O-CG 3.31Å; Q417-N421 PolarHBondContact O-N 3.29Å; Q417-N421 PolarHBondContact O-ND2 3.12Å |
| 418 | D | 75.9 | Confident | 76.6 | Confident | 98 Ų | 98 | 118 Ų | 118 | 52% | 0.524 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.1 | -39.7 | 173.5 | -92.9 | -4.1 | 0 | 0 | 0 | 112.4 | E414 N420 N421 Q422 | E414-D418 PolarHBondContact O-N 2.8Å; E414-D418 VanDerWaalsContact O-N 3.09Å; D418-N420 VanDerWaalsContact C-N 3.31Å; D418-N420 PolarHBondContact O-N 3.42Å; D418-N421 PolarHBondContact O-N 3.11Å; D418-Q422 WeakPolarHBondContact O-CG 3.42Å; D418-Q422 PolarHBondContact O-N 3.13Å |
| 419 | E | 78.1 | Confident | 76.3 | Confident | 123 Ų | 123 | 117.1 Ų | 117.1 | 58% | 0.575 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.1 | -41.6 | 174.1 | -117.1 | 177.4 | 177.8 | 0 | 0 | 111.9 | S415 Q422 L423 | S415-E419 PolarHBondContact O-N 3.13Å; S415-E419 VanDerWaalsContact O-N 3.13Å; E419-Q422 PolarHBondContact O-N 3.09Å; E419-L423 PolarHBondContact O-N 3.48Å; E419-L423 VanDerWaalsContact O-N 3.09Å |
| 420 | N | 74.5 | Confident | 76.2 | Confident | 112 Ų | 112 | 117.3 Ų | 117.3 | 60% | 0.599 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.4 | -40.4 | 179.3 | -127.1 | -11.4 | 0 | 0 | 0 | 112.1 | L416 Q417 D418 L423 A424 | L416-N420 PolarHBondContact O-N 3.12Å; L416-N420 VanDerWaalsContact O-N 3.16Å; Q417-N420 PolarHBondContact O-N 3.25Å; D418-N420 VanDerWaalsContact C-N 3.31Å; D418-N420 PolarHBondContact O-N 3.42Å; N420-L423 PolarHBondContact O-N 3.28Å; N420-A424 WeakPolarHBondContact O-CB 3.37Å; N420-A424 PolarHBondContact O-N 3.14Å |
| 421 | N | 77.4 | Confident | 76.1 | Confident | 91 Ų | 91 | 113.1 Ų | 113.1 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.5 | -41.4 | 176.6 | -71.3 | -21.6 | 0 | 0 | 0 | 111.6 | Q417 D418 L423 A424 D425 | Q417-N421 VanDerWaalsContact O-CG 3.31Å; Q417-N421 PolarHBondContact O-N 3.29Å; Q417-N421 PolarHBondContact O-ND2 3.12Å; D418-N421 PolarHBondContact O-N 3.11Å; N421-L423 PolarHBondContact O-N 3.04Å; N421-A424 PolarHBondContact O-N 3.35Å; N421-D425 PolarHBondContact O-N 3.37Å |
| 422 | Q | 76.2 | Confident | 75.8 | Confident | 128 Ų | 128 | 110.4 Ų | 110.4 | 60% | 0.598 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.3 | -37.6 | 176.1 | -74.4 | -177.9 | 41.2 | 0 | 0 | 113 | D418 E419 K426 | D418-Q422 WeakPolarHBondContact O-CG 3.42Å; D418-Q422 PolarHBondContact O-N 3.13Å; E419-Q422 PolarHBondContact O-N 3.09Å; Q422-K426 PolarHBondContact O-N 3.16Å; Q422-K426 VanDerWaalsContact O-N 3.07Å |
| 423 | L | 74.9 | Confident | 75.6 | Confident | 99 Ų | 99 | 108.7 Ų | 108.7 | 52% | 0.518 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 175.4 | -79.8 | 167.4 | 0 | 0 | 0 | 111.6 | E419 N420 N421 D425 K426 I427 | E419-L423 PolarHBondContact O-N 3.48Å; E419-L423 VanDerWaalsContact O-N 3.09Å; N420-L423 PolarHBondContact O-N 3.28Å; N421-L423 PolarHBondContact O-N 3.04Å; L423-D425 VanDerWaalsContact C-N 3.34Å; L423-D425 PolarHBondContact O-N 3.07Å; L423-K426 PolarHBondContact O-N 3.09Å; L423-I427 WeakPolarHBondContact O-CG1 3.42Å; L423-I427 PolarHBondContact O-N 3.47Å |
| 424 | A | 75.6 | Confident | 75.5 | Confident | 54 Ų | 54 | 106.8 Ų | 106.8 | 45% | 0.446 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N420 N421 K426 I427 N428 | N420-A424 WeakPolarHBondContact O-CB 3.37Å; N420-A424 PolarHBondContact O-N 3.14Å; N421-A424 PolarHBondContact O-N 3.35Å; A424-K426 PolarHBondContact O-N 3.02Å; A424-I427 PolarHBondContact O-N 3.37Å; A424-N428 PolarHBondContact O-N 3.47Å |
| 425 | D | 74.5 | Confident | 75.3 | Confident | 89 Ų | 89 | 103.8 Ų | 103.8 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 176.4 | -91.5 | -1.6 | 0 | 0 | 0 | 113 | N421 L423 N428 R429 | N421-D425 PolarHBondContact O-N 3.37Å; L423-D425 VanDerWaalsContact C-N 3.34Å; L423-D425 PolarHBondContact O-N 3.07Å; D425-N428 PolarHBondContact O-N 3.49Å; D425-R429 WeakPolarHBondContact O-CG 3.43Å; D425-R429 PolarHBondContact O-N 3.36Å |
| 426 | K | 76.2 | Confident | 75 | Confident | 145 Ų | 145 | 106.9 Ų | 106.9 | 63% | 0.63 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.5 | -42.1 | 174.8 | -91 | 179.2 | 177.8 | 170.4 | 0 | 112 | Q422 L423 A424 N428 K430 | Q422-K426 PolarHBondContact O-N 3.16Å; Q422-K426 VanDerWaalsContact O-N 3.07Å; L423-K426 PolarHBondContact O-N 3.09Å; A424-K426 PolarHBondContact O-N 3.02Å; K426-N428 VanDerWaalsContact C-N 3.35Å; K426-K430 PolarHBondContact O-N 3.02Å; K426-K430 VanDerWaalsContact O-N 3.13Å |
| 427 | I | 77.5 | Confident | 74.7 | Confident | 113 Ų | 113 | 108 Ų | 108 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.2 | -47.4 | 175.6 | -70.7 | 170.9 | 0 | 0 | 0 | 109.3 | L423 A424 R429 K430 T431 | L423-I427 WeakPolarHBondContact O-CG1 3.42Å; L423-I427 PolarHBondContact O-N 3.47Å; A424-I427 PolarHBondContact O-N 3.37Å; I427-R429 PolarHBondContact O-N 3.01Å; I427-K430 PolarHBondContact O-N 3.3Å; I427-T431 WeakPolarHBondContact O-CB 3.49Å; I427-T431 PolarHBondContact O-N 3.29Å; I427-T431 PolarHBondContact O-OG1 3.44Å |
| 428 | N | 74.9 | Confident | 74.4 | Confident | 100 Ų | 100 | 105.4 Ų | 105.4 | 54% | 0.535 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | -178.1 | -123.2 | 13.3 | 0 | 0 | 0 | 112.9 | A424 D425 K426 T431 N432 | A424-N428 PolarHBondContact O-N 3.47Å; D425-N428 PolarHBondContact O-N 3.49Å; K426-N428 VanDerWaalsContact C-N 3.35Å; N428-T431 PolarHBondContact O-N 3.48Å; N428-N432 PolarHBondContact O-N 3.41Å |
| 429 | R | 75.9 | Confident | 74.1 | Confident | 179 Ų | 179 | 107.2 Ų | 107.2 | 68% | 0.675 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 175.4 | -69.8 | -179.9 | -150.2 | -174.1 | 6.3 | 112 | D425 I427 N432 E433 | D425-R429 WeakPolarHBondContact O-CG 3.43Å; D425-R429 PolarHBondContact O-N 3.36Å; I427-R429 PolarHBondContact O-N 3.01Å; R429-N432 PolarHBondContact O-N 2.96Å; R429-E433 PolarHBondContact O-N 3.29Å; R429-E433 VanDerWaalsContact O-N 3.11Å |
| 430 | K | 71.4 | Confident | 74 | Confident | 132 Ų | 132 | 104.8 Ų | 104.8 | 57% | 0.574 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69 | -36.8 | 178.6 | -75.4 | -72.7 | 166.1 | -159.9 | 0 | 112.4 | K426 I427 E433 V434 | K426-K430 PolarHBondContact O-N 3.02Å; K426-K430 VanDerWaalsContact O-N 3.13Å; I427-K430 PolarHBondContact O-N 3.3Å; K430-E433 WeakPolarHBondContact CD-OE2 3.38Å; K430-E433 IonicContact NZ-OE2 2.69Å; K430-E433 PolarHBondContact NZ-OE2 2.69Å; K430-E433 WeakPolarHBondContact O-CB 3.4Å; K430-E433 PolarHBondContact O-N 2.95Å; K430-V434 WeakPolarHBondContact O-CG2 3.48Å; K430-V434 PolarHBondContact O-N 3.44Å |
| 431 | T | 76.3 | Confident | 73.7 | Confident | 68 Ų | 68 | 104 Ų | 104 | 42% | 0.417 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 174.3 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | I427 N428 E433 V434 V435 | I427-T431 WeakPolarHBondContact O-CB 3.49Å; I427-T431 PolarHBondContact O-N 3.29Å; I427-T431 PolarHBondContact O-OG1 3.44Å; N428-T431 PolarHBondContact O-N 3.48Å; T431-E433 VanDerWaalsContact C-N 3.32Å; T431-E433 PolarHBondContact O-N 3.36Å; T431-V434 PolarHBondContact O-N 2.85Å; T431-V435 WeakPolarHBondContact O-CG2 3.47Å; T431-V435 PolarHBondContact O-N 3.05Å |
| 432 | N | 71.6 | Confident | 73.3 | Confident | 103 Ų | 103 | 103.8 Ų | 103.8 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.7 | -36.9 | 176.4 | -75.9 | -10.5 | 0 | 0 | 0 | 112.4 | N428 R429 V434 V435 E436 | N428-N432 PolarHBondContact O-N 3.41Å; R429-N432 PolarHBondContact O-N 2.96Å; N432-V434 VanDerWaalsContact C-N 3.32Å; N432-V434 PolarHBondContact O-N 3.4Å; N432-V435 PolarHBondContact O-N 3Å; N432-E436 PolarHBondContact O-N 3.48Å |
| 433 | E | 74.3 | Confident | 72.8 | Confident | 103 Ų | 103 | 102.9 Ų | 102.9 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 174.7 | -136.3 | 173.4 | -160.5 | 0 | 0 | 111.7 | R429 K430 T431 L437 | R429-E433 PolarHBondContact O-N 3.29Å; R429-E433 VanDerWaalsContact O-N 3.11Å; K430-E433 WeakPolarHBondContact CD-OE2 3.38Å; K430-E433 IonicContact NZ-OE2 2.69Å; K430-E433 PolarHBondContact NZ-OE2 2.69Å; K430-E433 WeakPolarHBondContact O-CB 3.4Å; K430-E433 PolarHBondContact O-N 2.95Å; T431-E433 VanDerWaalsContact C-N 3.32Å; T431-E433 PolarHBondContact O-N 3.36Å; E433-L437 WeakPolarHBondContact O-CB 3.45Å; E433-L437 WeakPolarHBondContact O-CG 3.38Å; E433-L437 PolarHBondContact O-N 3.38Å |
| 434 | V | 73.2 | Confident | 72.5 | Confident | 88 Ų | 88 | 101.9 Ų | 101.9 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.4 | -40 | 175.4 | 173 | 0 | 0 | 0 | 0 | 111.3 | K430 T431 N432 L437 T438 | K430-V434 WeakPolarHBondContact O-CG2 3.48Å; K430-V434 PolarHBondContact O-N 3.44Å; T431-V434 PolarHBondContact O-N 2.85Å; N432-V434 VanDerWaalsContact C-N 3.32Å; N432-V434 PolarHBondContact O-N 3.4Å; V434-L437 PolarHBondContact O-N 3.04Å; V434-T438 WeakPolarHBondContact O-CB 3.41Å; V434-T438 PolarHBondContact O-N 3Å; V434-T438 PolarHBondContact O-OG1 3.48Å |
| 435 | V | 75 | Confident | 72.1 | Confident | 72 Ų | 72 | 105.1 Ų | 105.1 | 44% | 0.436 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 178.1 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | T431 N432 T438 K439 | T431-V435 WeakPolarHBondContact O-CG2 3.47Å; T431-V435 PolarHBondContact O-N 3.05Å; N432-V435 PolarHBondContact O-N 3Å; V435-T438 PolarHBondContact O-N 3.3Å; V435-K439 PolarHBondContact O-N 3.19Å |
| 436 | E | 70.2 | Confident | 71.9 | Confident | 129 Ų | 129 | 103.6 Ų | 103.6 | 60% | 0.603 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.4 | -43.2 | 177.2 | -80.3 | -70.4 | 127.6 | 0 | 0 | 112 | N432 T438 K439 S440 | N432-E436 PolarHBondContact O-N 3.48Å; E436-T438 VanDerWaalsContact C-N 3.32Å; E436-T438 PolarHBondContact O-N 3.13Å; E436-K439 PolarHBondContact O-N 3.11Å; E436-S440 WeakPolarHBondContact O-CB 3.32Å; E436-S440 PolarHBondContact O-N 3.45Å |
| 437 | L | 65 | Low | 71.3 | Confident | 122 Ų | 122 | 102.5 Ų | 102.5 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.5 | -35.7 | 175.7 | -75.2 | 170.4 | 0 | 0 | 0 | 112.4 | E433 V434 S440 L441 | E433-L437 WeakPolarHBondContact O-CB 3.45Å; E433-L437 WeakPolarHBondContact O-CG 3.38Å; E433-L437 PolarHBondContact O-N 3.38Å; V434-L437 PolarHBondContact O-N 3.04Å; L437-S440 PolarHBondContact O-N 3.31Å; L437-L441 WeakPolarHBondContact O-CB 3.45Å; L437-L441 PolarHBondContact O-N 2.92Å |
| 438 | T | 73.4 | Confident | 70.5 | Confident | 66 Ų | 66 | 101.9 Ų | 101.9 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.4 | -43.9 | 177.7 | -52.2 | 0 | 0 | 0 | 0 | 110.6 | V434 V435 E436 S440 L441 D442 | V434-T438 WeakPolarHBondContact O-CB 3.41Å; V434-T438 PolarHBondContact O-N 3Å; V434-T438 PolarHBondContact O-OG1 3.48Å; V435-T438 PolarHBondContact O-N 3.3Å; E436-T438 VanDerWaalsContact C-N 3.32Å; E436-T438 PolarHBondContact O-N 3.13Å; T438-S440 PolarHBondContact O-N 2.96Å; T438-L441 PolarHBondContact O-N 3.06Å; T438-L441 VanDerWaalsContact O-N 3.17Å; T438-D442 PolarHBondContact O-N 3.45Å |
| 439 | K | 69.3 | Low | 70 | Confident | 136 Ų | 136 | 102.9 Ų | 102.9 | 59% | 0.591 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.7 | -44 | 172.8 | -92.2 | -177.5 | 172.1 | 179 | 0 | 112.4 | V435 E436 L441 D442 D443 | V435-K439 PolarHBondContact O-N 3.19Å; E436-K439 PolarHBondContact O-N 3.11Å; K439-L441 PolarHBondContact O-N 3.23Å; K439-D442 PolarHBondContact O-N 3.05Å; K439-D443 WeakPolarHBondContact O-CB 3.36Å; K439-D443 PolarHBondContact O-N 3.44Å |
| 440 | S | 76 | Confident | 69.5 | Low | 72 Ų | 72 | 95.9 Ų | 95.9 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -31.7 | 176.6 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | E436 L437 T438 V444 | E436-S440 WeakPolarHBondContact O-CB 3.32Å; E436-S440 PolarHBondContact O-N 3.45Å; L437-S440 PolarHBondContact O-N 3.31Å; T438-S440 PolarHBondContact O-N 2.96Å; S440-V444 VanDerWaalsContact O-CG2 3.27Å; S440-V444 WeakPolarHBondContact O-CG2 3.47Å; S440-V444 PolarHBondContact O-N 3.47Å |
| 441 | L | 69.3 | Low | 69.1 | Low | 96 Ų | 96 | 96 Ų | 96 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.5 | -39.1 | 177 | -165.3 | 73.2 | 0 | 0 | 0 | 111.7 | L437 T438 K439 V444 K445 | L437-L441 WeakPolarHBondContact O-CB 3.45Å; L437-L441 PolarHBondContact O-N 2.92Å; T438-L441 PolarHBondContact O-N 3.06Å; T438-L441 VanDerWaalsContact O-N 3.17Å; K439-L441 PolarHBondContact O-N 3.23Å; L441-V444 PolarHBondContact O-N 2.63Å; L441-K445 WeakPolarHBondContact O-CB 3.41Å; L441-K445 WeakPolarHBondContact O-CG 3.34Å; L441-K445 PolarHBondContact O-N 2.89Å |
| 442 | D | 68.4 | Low | 68.7 | Low | 86 Ų | 86 | 98.7 Ų | 98.7 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.8 | -36.3 | 177.1 | -71.7 | -21.2 | 0 | 0 | 0 | 111.6 | T438 K439 K445 A446 | T438-D442 PolarHBondContact O-N 3.45Å; K439-D442 PolarHBondContact O-N 3.05Å; D442-K445 PolarHBondContact O-N 2.89Å; D442-A446 VanDerWaalsContact O-CB 3.26Å; D442-A446 WeakPolarHBondContact O-CB 3.32Å; D442-A446 PolarHBondContact O-N 2.96Å |
| 443 | D | 66.6 | Low | 68.2 | Low | 109 Ų | 109 | 100.6 Ų | 100.6 | 58% | 0.583 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.9 | -39.7 | 172.8 | -97.1 | -6.2 | 0 | 0 | 0 | 112.3 | K439 Q447 | K439-D443 WeakPolarHBondContact O-CB 3.36Å; K439-D443 PolarHBondContact O-N 3.44Å; D443-Q447 WeakPolarHBondContact O-CB 3.27Å; D443-Q447 VanDerWaalsContact O-CG 3.29Å; D443-Q447 WeakPolarHBondContact O-CG 3.5Å; D443-Q447 PolarHBondContact O-N 3.42Å |
| 444 | V | 68.4 | Low | 67.5 | Low | 77 Ų | 77 | 100.6 Ų | 100.6 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.7 | -38.2 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | S440 L441 L448 | S440-V444 VanDerWaalsContact O-CG2 3.27Å; S440-V444 WeakPolarHBondContact O-CG2 3.47Å; S440-V444 PolarHBondContact O-N 3.47Å; L441-V444 PolarHBondContact O-N 2.63Å; V444-L448 HydrophobicContact CG1-CD1 4.24Å; V444-L448 WeakPolarHBondContact O-CB 3.42Å; V444-L448 PolarHBondContact O-N 3.36Å |
| 445 | K | 67.9 | Low | 66.2 | Low | 123 Ų | 123 | 101.5 Ų | 101.5 | 54% | 0.535 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.1 | -43.4 | 175.1 | -80.2 | 178 | 177.9 | 174.4 | 0 | 112.3 | L441 D442 Q447 L448 E449 | L441-K445 WeakPolarHBondContact O-CB 3.41Å; L441-K445 WeakPolarHBondContact O-CG 3.34Å; L441-K445 PolarHBondContact O-N 2.89Å; D442-K445 PolarHBondContact O-N 2.89Å; K445-Q447 VanDerWaalsContact C-N 3.34Å; K445-Q447 PolarHBondContact O-N 3.49Å; K445-L448 WeakPolarHBondContact O-CB 3.48Å; K445-L448 PolarHBondContact O-N 3.3Å; K445-L448 VanDerWaalsContact O-N 3.13Å; K445-E449 PolarHBondContact O-N 2.96Å |
| 446 | A | 68.4 | Low | 64.8 | Low | 57 Ų | 57 | 102.6 Ų | 102.6 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D442 L448 E449 G450 | D442-A446 VanDerWaalsContact O-CB 3.26Å; D442-A446 WeakPolarHBondContact O-CB 3.32Å; D442-A446 PolarHBondContact O-N 2.96Å; A446-L448 VanDerWaalsContact C-N 3.31Å; A446-L448 PolarHBondContact O-N 3.36Å; A446-E449 PolarHBondContact O-N 2.94Å; A446-G450 PolarHBondContact O-N 3.24Å |
| 447 | Q | 65 | Low | 64.1 | Low | 121 Ų | 121 | 104.1 Ų | 104.1 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.3 | -33.8 | 172.1 | -76.9 | -176.2 | 20.8 | 0 | 0 | 112.8 | D443 K445 G450 K451 | D443-Q447 WeakPolarHBondContact O-CB 3.27Å; D443-Q447 VanDerWaalsContact O-CG 3.29Å; D443-Q447 WeakPolarHBondContact O-CG 3.5Å; D443-Q447 PolarHBondContact O-N 3.42Å; K445-Q447 VanDerWaalsContact C-N 3.34Å; K445-Q447 PolarHBondContact O-N 3.49Å; Q447-G450 PolarHBondContact O-N 3.49Å; Q447-K451 WeakPolarHBondContact O-CG 3.39Å; Q447-K451 PolarHBondContact O-N 2.91Å |
| 448 | L | 60.7 | Low | 63.4 | Low | 100 Ų | 100 | 103.9 Ų | 103.9 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.9 | -47 | 174.8 | -110.9 | 136.1 | 0 | 0 | 0 | 111.5 | V444 K445 A446 G450 K451 E452 | V444-L448 HydrophobicContact CG1-CD1 4.24Å; V444-L448 WeakPolarHBondContact O-CB 3.42Å; V444-L448 PolarHBondContact O-N 3.36Å; K445-L448 WeakPolarHBondContact O-CB 3.48Å; K445-L448 PolarHBondContact O-N 3.3Å; K445-L448 VanDerWaalsContact O-N 3.13Å; A446-L448 VanDerWaalsContact C-N 3.31Å; A446-L448 PolarHBondContact O-N 3.36Å; L448-G450 PolarHBondContact O-N 2.91Å; L448-K451 PolarHBondContact O-N 3.02Å; L448-K451 VanDerWaalsContact O-N 3.15Å; L448-E452 WeakPolarHBondContact O-CB 3.29Å; L448-E452 PolarHBondContact O-N 2.82Å |
| 449 | E | 64.2 | Low | 62.4 | Low | 121 Ų | 121 | 107.4 Ų | 107.4 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59 | -37.6 | 173.2 | -77.1 | -167.4 | 172.7 | 0 | 0 | 112.1 | K445 A446 K453 | K445-E449 PolarHBondContact O-N 2.96Å; A446-E449 PolarHBondContact O-N 2.94Å; E449-K453 WeakPolarHBondContact O-CB 3.33Å; E449-K453 VanDerWaalsContact O-CG 3.28Å; E449-K453 WeakPolarHBondContact O-CG 3.4Å; E449-K453 PolarHBondContact O-N 3.48Å |
| 450 | G | 64.5 | Low | 61.4 | Low | 33 Ų | 33 | 108.8 Ų | 108.8 | 34% | 0.34 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.1 | -46 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A446 Q447 L448 I454 | A446-G450 PolarHBondContact O-N 3.24Å; Q447-G450 PolarHBondContact O-N 3.49Å; L448-G450 PolarHBondContact O-N 2.91Å; G450-I454 WeakPolarHBondContact O-CD1 3.48Å; G450-I454 VanDerWaalsContact O-CG1 3.3Å; G450-I454 WeakPolarHBondContact O-CG1 3.39Å; G450-I454 PolarHBondContact O-N 3.17Å; G450-I454 VanDerWaalsContact O-N 3.16Å |
| 451 | K | 63.7 | Low | 59.9 | Low | 135 Ų | 135 | 108.6 Ų | 108.6 | 59% | 0.587 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.3 | -34.6 | 177.9 | -74.1 | 177.2 | 179.5 | 174.9 | 0 | 112.5 | Q447 L448 I454 I455 | Q447-K451 WeakPolarHBondContact O-CG 3.39Å; Q447-K451 PolarHBondContact O-N 2.91Å; L448-K451 PolarHBondContact O-N 3.02Å; L448-K451 VanDerWaalsContact O-N 3.15Å; K451-I454 WeakPolarHBondContact O-CB 3.26Å; K451-I454 PolarHBondContact O-N 3.43Å; K451-I455 VanDerWaalsContact O-CG1 3.32Å; K451-I455 WeakPolarHBondContact O-CG1 3.46Å; K451-I455 PolarHBondContact O-N 2.97Å |
| 452 | E | 67.2 | Low | 58.8 | Low | 123 Ų | 123 | 112.1 Ų | 112.1 | 58% | 0.575 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.5 | -34.4 | 179.9 | -155.2 | 145.5 | -150.3 | 0 | 0 | 111.8 | L448 I454 I455 C456 | L448-E452 WeakPolarHBondContact O-CB 3.29Å; L448-E452 PolarHBondContact O-N 2.82Å; E452-I454 VanDerWaalsContact C-N 3.32Å; E452-I454 PolarHBondContact O-N 3.13Å; E452-I455 WeakPolarHBondContact O-CB 3.32Å; E452-I455 PolarHBondContact O-N 3.49Å; E452-C456 PolarHBondContact O-N 3.36Å |
| 453 | K | 61.7 | Low | 57.5 | Low | 143 Ų | 143 | 117.1 Ų | 117.1 | 62% | 0.622 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.6 | -34.4 | 168 | -74.3 | 171.8 | -175.3 | 167.1 | 0 | 112.5 | E449 I455 C456 Y457 | E449-K453 WeakPolarHBondContact O-CB 3.33Å; E449-K453 VanDerWaalsContact O-CG 3.28Å; E449-K453 WeakPolarHBondContact O-CG 3.4Å; E449-K453 PolarHBondContact O-N 3.48Å; K453-I455 VanDerWaalsContact C-N 3.34Å; K453-C456 WeakPolarHBondContact O-CB 3.42Å; K453-C456 PolarHBondContact O-N 2.92Å; K453-Y457 PolarHBondContact O-N 3.46Å; K453-Y457 VanDerWaalsContact O-N 3.16Å |
| 454 | I | 60.3 | Low | 55.8 | Low | 103 Ų | 103 | 117.7 Ų | 117.7 | 53% | 0.528 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.7 | -36.7 | 172.6 | -68.4 | 163.8 | 0 | 0 | 0 | 111 | G450 K451 E452 Y457 L458 | G450-I454 WeakPolarHBondContact O-CD1 3.48Å; G450-I454 VanDerWaalsContact O-CG1 3.3Å; G450-I454 WeakPolarHBondContact O-CG1 3.39Å; G450-I454 PolarHBondContact O-N 3.17Å; G450-I454 VanDerWaalsContact O-N 3.16Å; K451-I454 WeakPolarHBondContact O-CB 3.26Å; K451-I454 PolarHBondContact O-N 3.43Å; E452-I454 VanDerWaalsContact C-N 3.32Å; E452-I454 PolarHBondContact O-N 3.13Å; I454-Y457 PolarHBondContact O-N 2.89Å; I454-Y457 VanDerWaalsContact O-N 3.13Å; I454-L458 HydrophobicContact CG2-CD1 4.2Å; I454-L458 PolarHBondContact O-N 3Å; I454-L458 VanDerWaalsContact O-N 3.15Å |
| 455 | I | 46.1 | Very low | 54.5 | Low | 107 Ų | 107 | 122.3 Ų | 122.3 | 55% | 0.549 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.6 | -36.9 | 174.8 | -66.9 | 165.4 | 0 | 0 | 0 | 111.2 | K451 E452 K453 Y457 | K451-I455 VanDerWaalsContact O-CG1 3.32Å; K451-I455 WeakPolarHBondContact O-CG1 3.46Å; K451-I455 PolarHBondContact O-N 2.97Å; E452-I455 WeakPolarHBondContact O-CB 3.32Å; E452-I455 PolarHBondContact O-N 3.49Å; K453-I455 VanDerWaalsContact C-N 3.34Å; I455-Y457 VanDerWaalsContact C-N 3.3Å; I455-Y457 PolarHBondContact O-N 3.48Å |
| 456 | C | 45.3 | Very low | 53.4 | Low | 96 Ų | 96 | 124.4 Ų | 124.4 | 65% | 0.649 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.6 | -33.1 | 169.4 | -93.4 | 0 | 0 | 0 | 0 | 113.6 | E452 K453 | E452-C456 PolarHBondContact O-N 3.36Å; K453-C456 WeakPolarHBondContact O-CB 3.42Å; K453-C456 PolarHBondContact O-N 2.92Å |
| 457 | Y | 53.8 | Low | 52.2 | Low | 161 Ų | 161 | 126.6 Ų | 126.6 | 63% | 0.631 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -82.1 | -41.7 | -173.9 | -159.7 | -97.6 | 0 | 0 | 0 | 112.9 | K453 I454 I455 N459 K460 S461 | K453-Y457 PolarHBondContact O-N 3.46Å; K453-Y457 VanDerWaalsContact O-N 3.16Å; I454-Y457 PolarHBondContact O-N 2.89Å; I454-Y457 VanDerWaalsContact O-N 3.13Å; I455-Y457 VanDerWaalsContact C-N 3.3Å; I455-Y457 PolarHBondContact O-N 3.48Å; Y457-N459 VanDerWaalsContact C-N 3.29Å; Y457-N459 PolarHBondContact O-N 3.22Å; Y457-K460 PolarHBondContact O-N 2.85Å; Y457-S461 PolarHBondContact O-N 3.15Å; Y457-S461 VanDerWaalsContact O-N 3.1Å; Y457-S461 PolarHBondContact O-OG 3.31Å |
| 458 | L | 50.3 | Low | 50.3 | Low | 116 Ų | 116 | 128 Ų | 128 | 61% | 0.607 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60.9 | -37.4 | 177.2 | -84 | 156.3 | 0 | 0 | 0 | 112.4 | I454 K460 S461 | I454-L458 HydrophobicContact CG2-CD1 4.2Å; I454-L458 PolarHBondContact O-N 3Å; I454-L458 VanDerWaalsContact O-N 3.15Å; L458-K460 PolarHBondContact O-N 3Å; L458-S461 PolarHBondContact O-N 3.16Å |
| 459 | N | 53 | Low | 48.9 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.7 | -16.6 | 177.6 | -95.9 | -12.1 | 0 | 0 | 0 | 114 | Y457 | Y457-N459 VanDerWaalsContact C-N 3.29Å; Y457-N459 PolarHBondContact O-N 3.22Å |
| 460 | K | 49.5 | Very low | 47.4 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 72% | 0.722 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -87.4 | -36.3 | 173 | -126.8 | 174.2 | -177 | 178.2 | 0 | 111.9 | Y457 L458 M462 K463 | Y457-K460 PolarHBondContact O-N 2.85Å; L458-K460 PolarHBondContact O-N 3Å; K460-M462 VanDerWaalsContact C-N 3.26Å; K460-M462 PolarHBondContact O-N 2.99Å; K460-K463 PolarHBondContact O-N 2.97Å; K460-K463 VanDerWaalsContact O-N 3.15Å |
| 461 | S | 42.6 | Very low | 46 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 48% | 0.476 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -74.8 | -8.9 | -174.9 | -60.6 | 0 | 0 | 0 | 0 | 115.1 | Y457 L458 K463 | Y457-S461 PolarHBondContact O-N 3.15Å; Y457-S461 VanDerWaalsContact O-N 3.1Å; Y457-S461 PolarHBondContact O-OG 3.31Å; L458-S461 PolarHBondContact O-N 3.16Å; S461-K463 VanDerWaalsContact C-N 3.29Å |
| 462 | M | 47.7 | Very low | 44.7 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 83% | 0.833 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -2.3 | 168.4 | -78.8 | -87.6 | -73.8 | 0 | 0 | 113.7 | K460 | K460-M462 VanDerWaalsContact C-N 3.26Å; K460-M462 PolarHBondContact O-N 2.99Å |
| 463 | K | 41.1 | Very low | 42.8 | Very low | 191 Ų | 191 | 133.8 Ų | 133.8 | 83% | 0.83 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.1 | -1.8 | 179.3 | -107.2 | 178.3 | -173.5 | 178.1 | 0 | 120.4 | K460 S461 | K460-K463 PolarHBondContact O-N 2.97Å; K460-K463 VanDerWaalsContact O-N 3.15Å; S461-K463 VanDerWaalsContact C-N 3.29Å |
| 464 | C | 30.6 | Very low | 41.4 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | trans | -177.2 | 161.8 | 156.8 | -100.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 465 | Q | 40.2 | Very low | 40.2 | Very low | 173 Ų | 173 | 136 Ų | 136 | 81% | 0.808 | 71% | 0.711 | S | S | * | * | trans | -83.6 | 160.2 | -164.9 | -90.5 | 171 | -20 | 0 | 0 | 118.4 | ||||
| 466 | Q | 44.4 | Very low | 39.7 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | trans | 91.6 | 158 | 147.2 | -59.2 | -115.4 | -3.1 | 0 | 0 | 121.2 | ||||
| 467 | P | 44.9 | Very low | 39 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | -128.8 | -177.5 | -99.1 | 35.8 | -12.2 | 0 | 0 | 0 | 118.6 | |||||
| 468 | M | 24.3 | Very low | 37.9 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | trans | 100.4 | 139.4 | 154.5 | -76.1 | -75.3 | -90.2 | 0 | 0 | 123.7 | ||||
| 469 | Q | 31.8 | Very low | 37.2 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 71% | 0.71 | 75% | 0.752 | S | S | * | * | trans | 73.3 | 152.2 | 144.7 | -82.3 | 176.3 | -3.7 | 0 | 0 | 119.7 | ||||
| 470 | T | 32.8 | Very low | 36.2 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 60% | 0.595 | 76% | 0.755 | S | S | * | * | cis | 173.6 | 170.7 | -14.1 | 27 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 471 | L | 34.1 | Very low | 35.7 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | trans | 69.9 | 159.6 | 151.3 | -72.6 | 148.9 | 0 | 0 | 0 | 112.7 | ||||
| 472 | D | 37.2 | Very low | 35.4 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | cis | -179.7 | 164.3 | 10.5 | -108.8 | -27.2 | 0 | 0 | 0 | 101.5 | ||||
| 473 | T | 26.8 | Very low | 34.8 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | cis | -177.2 | 146.1 | -17.9 | -91.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 474 | M | 32.2 | Very low | 34.7 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -95.1 | 150.4 | -164.8 | -84.5 | -84.8 | 179.2 | 0 | 0 | 115.8 | ||||
| 475 | P | 35.9 | Very low | 34.7 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | -129.8 | 172.8 | 172 | 39.4 | -25 | 0 | 0 | 0 | 118.5 | ||||
| 476 | C | 35 | Very low | 34.2 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 89.7 | 113.6 | 146.1 | -74.7 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 477 | D | 30.9 | Very low | 33.5 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | 62.6 | 136.2 | 124.2 | -90 | -32.2 | 0 | 0 | 0 | 128.4 | |||||
| 478 | I | 30.3 | Very low | 32.9 | Very low | 156 Ų | 156 | 143 Ų | 143 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -132 | 141 | -172.3 | -65.5 | 160.4 | 0 | 0 | 0 | 108.3 | ||||
| 479 | T | 35.5 | Very low | 33.3 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | 176.1 | 127.3 | 144.6 | -74.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 480 | Y | 33.1 | Very low | 33.2 | Very low | 206 Ų | 206 | 141.7 Ų | 141.7 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -170.5 | 145.9 | 141.9 | -153.2 | -108.1 | 0 | 0 | 0 | 114.1 | P482 | Y480-P482 HydrophobicContact CE1-CG 3.86Š| ||
| 481 | K | 37.5 | Very low | 33.3 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -143.1 | 143.6 | 170.7 | -85.9 | -174.9 | 176.1 | 178.4 | 0 | 108.8 | ||||
| 482 | P | 37.7 | Very low | 33.1 | Very low | 103 Ų | 103 | 141 Ų | 141 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | -149.9 | 142.5 | 124.7 | 31.7 | -12 | 0 | 0 | 0 | 116 | Y480 | Y480-P482 HydrophobicContact CE1-CG 3.86Š| |||
| 483 | V | 34.1 | Very low | 32.7 | Very low | 147 Ų | 147 | 140 Ų | 140 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -148.4 | 128.4 | 161.1 | 173.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 484 | L | 38.8 | Very low | 32.9 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -139.1 | 106.9 | 172.5 | -88.3 | 158.5 | 0 | 0 | 0 | 106.9 | ||||
| 485 | R | 31.7 | Very low | 33.1 | Very low | 218 Ų | 218 | 140 Ų | 140 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | 71.2 | 107.8 | 85.8 | -157.8 | -176.1 | -126.4 | 162.6 | 1.2 | 112.5 | |||||
| 486 | V | 28.5 | Very low | 32.8 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | 77.1 | 118.7 | 55.5 | 178.9 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 487 | A | 30.4 | Very low | 32.6 | Very low | 83 Ų | 83 | 143.3 Ų | 143.3 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | trans | 94.8 | 145.5 | 144.1 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 488 | S | 32.3 | Very low | 32.9 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 74.4 | 152.6 | 150.9 | -41.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 489 | T | 33.1 | Very low | 32.8 | Very low | 111 Ų | 111 | 139 Ų | 139 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | cis | -167.8 | 134.2 | 31.6 | 16.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 490 | E | 29.4 | Very low | 32.9 | Very low | 164 Ų | 164 | 141 Ų | 141 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | 67.8 | 125.4 | 89.7 | -69.8 | -175.4 | 163.1 | 0 | 0 | 117.1 | |||||
| 491 | N | 34.4 | Very low | 32.8 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | 140.5 | 127.7 | 128.5 | -76.7 | -29 | 0 | 0 | 0 | 117.1 | |||||
| 492 | G | 29.7 | Very low | 32.7 | Very low | 64 Ų | 64 | 136.2 Ų | 136.2 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | trans | 85.8 | 107.8 | 147 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 493 | S | 29.1 | Very low | 32.5 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | cis | 47.1 | 112.2 | 38 | 81.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 494 | E | 31.7 | Very low | 32.7 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | 169.8 | 137.3 | 116.1 | -96.8 | -177.5 | 175.2 | 0 | 0 | 113.7 | |||||
| 495 | T | 35.1 | Very low | 32.6 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | 71.7 | 139.6 | 144.8 | 65.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 496 | G | 30.5 | Very low | 32.9 | Very low | 66 Ų | 66 | 126.7 Ų | 126.7 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | cis | 176.1 | 127 | 6.8 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 497 | R | 29.8 | Very low | 33.5 | Very low | 236 Ų | 236 | 125 Ų | 125 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | 75 | 138.7 | 86.7 | -140.8 | -177.3 | -164.8 | -159.9 | 4 | 113.3 | |||||
| 498 | I | 37.3 | Very low | 34 | Very low | 163 Ų | 163 | 127.1 Ų | 127.1 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | 89.2 | 114.2 | 165.9 | -44.8 | 158.3 | 0 | 0 | 0 | 112.5 | ||||
| 499 | G | 29.3 | Very low | 34.7 | Very low | 62 Ų | 62 | 126.2 Ų | 126.2 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | cis | 113.1 | 96.3 | 23.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 500 | L | 37 | Very low | 35.3 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | trans | -139.2 | 108.8 | 150.2 | -88.9 | 176.4 | 0 | 0 | 0 | 109.2 | ||||
| 501 | T | 31.1 | Very low | 36.3 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | -70.6 | 167.4 | 164.1 | 38.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 502 | M | 34.8 | Very low | 37.5 | Very low | 178 Ų | 178 | 126.1 Ų | 126.1 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | 85.7 | 134.7 | 159.9 | -46.8 | -60.3 | -100.2 | 0 | 0 | 115 | ||||
| 503 | A | 34.3 | Very low | 39 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | cis | -164.2 | 131.8 | -14.3 | 0 | 0 | 0 | 0 | 0 | 104.1 | D505 | A503-D505 PolarHBondContact O-N 3.42Š| ||
| 504 | A | 38.3 | Very low | 40.4 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 88% | 0.876 | 76% | 0.757 | S | S | * | * | trans | -74.4 | 108 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 505 | D | 35.9 | Very low | 41.9 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | trans | -95.6 | 94.3 | 161.3 | -129.2 | -4.3 | 0 | 0 | 0 | 107.4 | A503 S507 | A503-D505 PolarHBondContact O-N 3.42Å; D505-S507 PolarHBondContact O-N 3.13Å; D505-S507 VanDerWaalsContact O-N 3.1Å | ||
| 506 | G | 38.7 | Very low | 42.9 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | -73.6 | 89.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | C508 | G506-C508 PolarHBondContact O-N 3.16Š| ||
| 507 | S | 41.8 | Very low | 43.9 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -87.1 | 72.5 | 154.8 | 165.7 | 0 | 0 | 0 | 0 | 108.3 | D505 S509 | D505-S507 PolarHBondContact O-N 3.13Å; D505-S507 VanDerWaalsContact O-N 3.1Å; S507-S509 PolarHBondContact O-N 3.19Å; S507-S509 VanDerWaalsContact O-N 3.12Å | ||
| 508 | C | 40.4 | Very low | 45 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 86% | 0.858 | 75% | 0.745 | S | S | * | * | trans | -83.1 | 67.4 | 171 | -149.9 | 0 | 0 | 0 | 0 | 108.9 | G506 K510 | G506-C508 PolarHBondContact O-N 3.16Å; C508-K510 PolarHBondContact O-N 3.15Å | ||
| 509 | S | 46.9 | Very low | 45.3 | Very low | 90 Ų | 90 | 127.8 Ų | 127.8 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | trans | -83.3 | 93.8 | 166.8 | 40.1 | 0 | 0 | 0 | 0 | 108.4 | S507 L511 | S507-S509 PolarHBondContact O-N 3.19Å; S507-S509 VanDerWaalsContact O-N 3.12Å; S509-L511 PolarHBondContact O-N 3.48Å | ||
| 510 | K | 45.1 | Very low | 45.7 | Very low | 202 Ų | 202 | 131.9 Ų | 131.9 | 88% | 0.878 | 75% | 0.754 | S | S | * | * | trans | -48 | 95 | 166.1 | -164.2 | 170.6 | -172.6 | 175.4 | 0 | 109.7 | C508 | C508-K510 PolarHBondContact O-N 3.15Š| ||
| 511 | L | 51.3 | Low | 46 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | -74.3 | 124.1 | 167 | -77.1 | 169.8 | 0 | 0 | 0 | 108.3 | S509 | S509-L511 PolarHBondContact O-N 3.48Š| ||
| 512 | D | 59.3 | Low | 46.8 | Very low | 72 Ų | 72 | 131 Ų | 131 | 39% | 0.385 | 75% | 0.751 | S | S | . | * | trans | -66.8 | 128.5 | -168.8 | -156.7 | -40.1 | 0 | 0 | 0 | 111.6 | K514 Y515 | D512-K514 HydrophobicContact CB-CG 4.02Å; D512-K514 PolarHBondContact O-N 3.1Å; D512-K514 VanDerWaalsContact OD1-CE 3.23Å; D512-K514 WeakPolarHBondContact OD1-CE 3.28Å; D512-K514 WeakPolarHBondContact OD1-CG 3.3Å; D512-K514 WeakPolarHBondContact OD2-CE 3.4Å; D512-K514 IonicContact OD2-NZ 3.89Å; D512-K514 PolarHBondContact OD2-NZ 3.33Å; D512-Y515 PolarHBondContact O-N 3.33Å | ||
| 513 | P | 60.7 | Low | 47.1 | Very low | 88 Ų | 88 | 129.8 Ų | 129.8 | 57% | 0.571 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -55.6 | -11.8 | -177.8 | -27.3 | 34.6 | 0 | 0 | 0 | 116.3 | Y515 L516 | P513-Y515 PolarHBondContact O-N 3.34Å; P513-L516 PolarHBondContact O-N 3.36Å |
| 514 | K | 59.2 | Low | 47.4 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -62.5 | -17.7 | 174.6 | 12.7 | 177.2 | 179.2 | -176.7 | 0 | 114.1 | D512 | D512-K514 HydrophobicContact CB-CG 4.02Å; D512-K514 PolarHBondContact O-N 3.1Å; D512-K514 VanDerWaalsContact OD1-CE 3.23Å; D512-K514 WeakPolarHBondContact OD1-CE 3.28Å; D512-K514 WeakPolarHBondContact OD1-CG 3.3Å; D512-K514 WeakPolarHBondContact OD2-CE 3.4Å; D512-K514 IonicContact OD2-NZ 3.89Å; D512-K514 PolarHBondContact OD2-NZ 3.33Å |
| 515 | Y | 64.1 | Low | 47.2 | Very low | 202 Ų | 202 | 131.2 Ų | 131.2 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -89.5 | -2.5 | 173.2 | -61.3 | -71.1 | 0 | 0 | 0 | 113.9 | D512 P513 | D512-Y515 PolarHBondContact O-N 3.33Å; P513-Y515 PolarHBondContact O-N 3.34Å |
| 516 | L | 55.4 | Low | 47.3 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -107.2 | 4.9 | -177.2 | -81.5 | 159.8 | 0 | 0 | 0 | 114.1 | P513 | P513-L516 PolarHBondContact O-N 3.36Š|
| 517 | V | 52.3 | Low | 47 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -114.7 | 121.6 | 174.7 | -174.8 | 0 | 0 | 0 | 0 | 110 | N519 | V517-N519 PolarHBondContact O-N 3.28Å; V517-N519 VanDerWaalsContact O-N 3.15Å |
| 518 | P | 51.4 | Low | 46.8 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | -56.4 | 118.5 | 172 | -22.2 | 32.4 | 0 | 0 | 0 | 109.7 | L520 | P518-L520 VanDerWaalsContact C-N 3.31Å; P518-L520 PolarHBondContact O-N 3.06Å | ||
| 519 | N | 43.2 | Very low | 46.5 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | trans | -71.1 | 93.5 | 173.1 | -145.7 | 8.9 | 0 | 0 | 0 | 107.6 | V517 | V517-N519 PolarHBondContact O-N 3.28Å; V517-N519 VanDerWaalsContact O-N 3.15Å | ||
| 520 | L | 39.5 | Very low | 46 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 134.8 | 168.5 | -71.8 | 162.2 | 0 | 0 | 0 | 108.7 | P518 | P518-L520 VanDerWaalsContact C-N 3.31Å; P518-L520 PolarHBondContact O-N 3.06Å |
| 521 | L | 43 | Very low | 45.6 | Very low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 130.9 | 148.9 | -104.2 | 111.2 | 0 | 0 | 0 | 109 | ||
| 522 | P | 47.9 | Very low | 44.8 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 144.9 | -171.7 | -6.1 | 24.8 | 0 | 0 | 0 | 111.8 | P524 | P522-P524 WeakPolarHBondContact O-CD 3.38Š|
| 523 | L | 41.3 | Very low | 43.6 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 127.4 | 172.2 | -98.6 | 79.1 | 0 | 0 | 0 | 111.5 | S525 | L523-S525 PolarHBondContact O-N 3.15Š|
| 524 | P | 39.8 | Very low | 42.5 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | -75 | 112.2 | 154 | 1.6 | 16.2 | 0 | 0 | 0 | 108 | P522 | P522-P524 WeakPolarHBondContact O-CD 3.38Š| ||
| 525 | S | 34.4 | Very low | 41.7 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | trans | -95.9 | 106.6 | 161.7 | -49.4 | 0 | 0 | 0 | 0 | 106.4 | L523 | L523-S525 PolarHBondContact O-N 3.15Š| ||
| 526 | N | 37.1 | Very low | 40.6 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 177.7 | 134.7 | 151.1 | -95.6 | -27.6 | 0 | 0 | 0 | 112.7 | ||||
| 527 | L | 33.2 | Very low | 39.9 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | 68.8 | 135 | 158.8 | -80 | 76.6 | 0 | 0 | 0 | 116.8 | ||||
| 528 | H | 36.6 | Very low | 39.4 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | cis | -166 | 145.9 | -2.2 | -135.9 | 53.4 | 0 | 0 | 0 | 106.7 | ||||
| 529 | K | 35.4 | Very low | 38.9 | Very low | 206 Ų | 206 | 145.3 Ų | 145.3 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | trans | -89.5 | 124.7 | 162.6 | -77.5 | 176.3 | 173.6 | 178.3 | 0 | 107.9 | ||||
| 530 | A | 35.1 | Very low | 38.8 | Very low | 87 Ų | 87 | 142.8 Ų | 142.8 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | 171.9 | 133.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 531 | D | 37.2 | Very low | 39.1 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | -131.2 | 131 | 15.5 | -90.5 | -41.2 | 0 | 0 | 0 | 107.5 | ||||
| 532 | Q | 34.4 | Very low | 39 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | 44.8 | 110.9 | 85.1 | -73.2 | -160.5 | 28.9 | 0 | 0 | 116.2 | |||||
| 533 | S | 34.4 | Very low | 38.7 | Very low | 101 Ų | 101 | 147.5 Ų | 147.5 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 83.8 | 108.1 | 134.2 | -54.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 534 | S | 38.2 | Very low | 38.8 | Very low | 111 Ų | 111 | 152.7 Ų | 152.7 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | 128.7 | 97.7 | 122.5 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 535 | Q | 42 | Very low | 38.8 | Very low | 199 Ų | 199 | 153.9 Ų | 153.9 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | -170.3 | 97.7 | 121.5 | -105.5 | 167.5 | -4.3 | 0 | 0 | 110.1 | |||||
| 536 | I | 39.9 | Very low | 39 | Very low | 162 Ų | 162 | 157.1 Ų | 157.1 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | trans | -57.4 | 129.4 | 152.1 | -65.6 | 162.4 | 0 | 0 | 0 | 107.5 | ||||
| 537 | S | 42.7 | Very low | 39.1 | Very low | 101 Ų | 101 | 157.5 Ų | 157.5 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | 178 | 103.1 | 127.5 | -78.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 538 | K | 41.5 | Very low | 39.4 | Very low | 204 Ų | 204 | 158.3 Ų | 158.3 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -71.8 | 132.2 | 143.5 | -75.3 | 173.2 | 172.5 | 177.4 | 0 | 106.9 | ||||
| 539 | I | 40.8 | Very low | 39.6 | Very low | 140 Ų | 140 | 157.8 Ų | 157.8 | 72% | 0.718 | 82% | 0.815 | S | S | * | * | trans | -167.1 | 100 | 151.6 | -89 | 139.2 | 0 | 0 | 0 | 104.3 | ||||
| 540 | T | 40.3 | Very low | 39.9 | Very low | 112 Ų | 112 | 154.5 Ų | 154.5 | 69% | 0.687 | 81% | 0.81 | S | S | * | * | 38.1 | 114.2 | 103.9 | 33.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 541 | D | 45.7 | Very low | 40.2 | Very low | 134 Ų | 134 | 159.4 Ų | 159.4 | 72% | 0.717 | 82% | 0.816 | S | S | * | * | 179.2 | 138.3 | 116.1 | -91.8 | -23 | 0 | 0 | 0 | 115 | |||||
| 542 | L | 40.9 | Very low | 40.5 | Very low | 145 Ų | 145 | 160.2 Ų | 160.2 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | 65.9 | 99.7 | 136.7 | -65.7 | 158.2 | 0 | 0 | 0 | 119 | H544 | L542-H544 PolarHBondContact O-N 3.27Š| ||
| 543 | R | 42.7 | Very low | 41 | Very low | 242 Ų | 242 | 159.4 Ų | 159.4 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | -34.2 | 115.4 | 134.4 | -76.9 | 176.2 | 175.4 | 170.8 | -2.7 | 110.3 | ||||
| 544 | H | 42.7 | Very low | 41.6 | Very low | 262 Ų | 262 | 164.7 Ų | 164.7 | 100% | 1.213 | 83% | 0.831 | S | S | * | * | trans | -97.4 | 0 | 134.1 | -92 | -25.2 | 0 | 0 | 0 | 108.6 | L542 | L542-H544 PolarHBondContact O-N 3.27Š|
Retrieved 544 of 544 residues in 257 ms
(Link to these results)