| 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 | 52.9 | Low | 84.2 | Confident | 238 Ų | 238 | 118.2 Ų | 118.2 | 100% | 1.172 | 63% | 0.629 | S | S | * | * | 0 | 113.5 | 0 | -92.1 | 166.9 | 70.7 | 0 | 0 | 107.7 | |||||
| 2 | I | 71.7 | Confident | 85.2 | Confident | 159 Ų | 159 | 118.6 Ų | 118.6 | 82% | 0.815 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 127 | 170 | -60 | 172 | 0 | 0 | 0 | 105.8 | T4 | I2-T4 PolarHBondContact O-N 3.11Š|
| 3 | P | 73.6 | Confident | 86 | Confident | 79 Ų | 79 | 121.8 Ų | 121.8 | 51% | 0.513 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -51 | 126.7 | 170.6 | -22.7 | 31.9 | 0 | 0 | 0 | 109 | T7 L8 | P3-T7 WeakPolarHBondContact CA-OG1 3.46Å; P3-T7 VanDerWaalsContact CB-OG1 3.31Å; P3-T7 WeakPolarHBondContact CB-OG1 3.24Å; P3-L8 HydrophobicContact CB-CD2 4.24Å; P3-L8 HydrophobicContact CB-CG 4.17Å |
| 4 | T | 86.6 | Confident | 86.7 | Confident | 76 Ų | 76 | 119.6 Ų | 119.6 | 47% | 0.466 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -67 | 154.5 | 173 | 62.6 | 0 | 0 | 0 | 0 | 109 | I2 E6 T7 L8 | I2-T4 PolarHBondContact O-N 3.11Å; T4-E6 PolarHBondContact O-N 3.11Å; T4-E6 VanDerWaalsContact O-N 3.08Å; T4-T7 PolarHBondContact N-OG1 3.46Å; T4-T7 PolarHBondContact O-N 3.2Å; T4-T7 PolarHBondContact O-OG1 3.25Å; T4-T7 WeakPolarHBondContact OG1-CG2 3.46Å; T4-T7 PolarHBondContact OG1-N 3.37Å; T4-L8 PolarHBondContact O-N 3.01Å |
| 5 | L | 86.4 | Confident | 87.3 | Confident | 150 Ų | 150 | 116.7 Ų | 116.7 | 79% | 0.785 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -51 | -34.6 | 174.9 | -172.4 | 71.3 | 0 | 0 | 0 | 112.1 | L8 S9 | L5-L8 PolarHBondContact O-N 3.43Å; L5-S9 PolarHBondContact O-N 3.29Å |
| 6 | E | 89.4 | Confident | 87.9 | Confident | 150 Ų | 150 | 113.6 Ų | 113.6 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.6 | -45.7 | 174.9 | -64.3 | 176.7 | 164.6 | 0 | 0 | 112.6 | T4 L8 S9 M10 | T4-E6 PolarHBondContact O-N 3.11Å; T4-E6 VanDerWaalsContact O-N 3.08Å; E6-L8 VanDerWaalsContact C-N 3.33Å; E6-L8 PolarHBondContact O-N 2.98Å; E6-S9 PolarHBondContact O-N 3Å; E6-M10 WeakPolarHBondContact O-CG 3.36Å; E6-M10 PolarHBondContact O-N 3.29Å |
| 7 | T | 91.4 | Very high | 88.5 | Confident | 57 Ų | 57 | 114.7 Ų | 114.7 | 35% | 0.35 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.6 | -39.3 | 176.7 | 57.8 | 0 | 0 | 0 | 0 | 112 | P3 T4 M10 L11 | P3-T7 WeakPolarHBondContact CA-OG1 3.46Å; P3-T7 VanDerWaalsContact CB-OG1 3.31Å; P3-T7 WeakPolarHBondContact CB-OG1 3.24Å; T4-T7 PolarHBondContact N-OG1 3.46Å; T4-T7 PolarHBondContact O-N 3.2Å; T4-T7 PolarHBondContact O-OG1 3.25Å; T4-T7 WeakPolarHBondContact OG1-CG2 3.46Å; T4-T7 PolarHBondContact OG1-N 3.37Å; T7-M10 PolarHBondContact O-N 3.29Å; T7-L11 WeakPolarHBondContact O-CB 3.49Å; T7-L11 VanDerWaalsContact O-CG 3.3Å; T7-L11 WeakPolarHBondContact O-CG 3.47Å; T7-L11 PolarHBondContact O-N 2.93Å |
| 8 | L | 92 | Very high | 89 | Confident | 94 Ų | 94 | 111.6 Ų | 111.6 | 49% | 0.492 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.4 | -41.5 | 175.3 | -69 | 174 | 0 | 0 | 0 | 111.9 | P3 T4 L5 E6 L11 K12 | P3-L8 HydrophobicContact CB-CD2 4.24Å; P3-L8 HydrophobicContact CB-CG 4.17Å; T4-L8 PolarHBondContact O-N 3.01Å; L5-L8 PolarHBondContact O-N 3.43Å; E6-L8 VanDerWaalsContact C-N 3.33Å; E6-L8 PolarHBondContact O-N 2.98Å; L8-L11 PolarHBondContact O-N 3.36Å; L8-K12 WeakPolarHBondContact O-CB 3.48Å; L8-K12 PolarHBondContact O-N 2.97Å |
| 9 | S | 93 | Very high | 89.4 | Confident | 63 Ų | 63 | 112.9 Ų | 112.9 | 44% | 0.441 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.8 | -42.3 | 176 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | L5 E6 K12 R13 | L5-S9 PolarHBondContact O-N 3.29Å; E6-S9 PolarHBondContact O-N 3Å; S9-K12 PolarHBondContact O-N 3.09Å; S9-R13 PolarHBondContact O-N 3.46Å |
| 10 | M | 95.1 | Very high | 89.8 | Confident | 118 Ų | 118 | 113.4 Ų | 113.4 | 58% | 0.581 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.1 | -49.9 | 174.1 | -76.4 | -179 | 54.8 | 0 | 0 | 112 | E6 T7 K12 R13 E14 | E6-M10 WeakPolarHBondContact O-CG 3.36Å; E6-M10 PolarHBondContact O-N 3.29Å; T7-M10 PolarHBondContact O-N 3.29Å; M10-K12 PolarHBondContact O-N 2.89Å; M10-R13 PolarHBondContact O-N 3.33Å; M10-R13 VanDerWaalsContact O-N 3.15Å; M10-E14 PolarHBondContact O-N 3.43Å |
| 11 | L | 94.7 | Very high | 90.2 | Very high | 116 Ų | 116 | 112.2 Ų | 112.2 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.3 | -37.3 | 177.7 | -74.7 | 170.9 | 0 | 0 | 0 | 111.7 | T7 L8 E14 Q15 | T7-L11 WeakPolarHBondContact O-CB 3.49Å; T7-L11 VanDerWaalsContact O-CG 3.3Å; T7-L11 WeakPolarHBondContact O-CG 3.47Å; T7-L11 PolarHBondContact O-N 2.93Å; L8-L11 PolarHBondContact O-N 3.36Å; L11-E14 PolarHBondContact O-N 3.07Å; L11-Q15 VanDerWaalsContact O-CB 3.24Å; L11-Q15 WeakPolarHBondContact O-CB 3.35Å; L11-Q15 PolarHBondContact O-N 3.25Å |
| 12 | K | 95.2 | Very high | 92.3 | Very high | 123 Ų | 123 | 105 Ų | 105 | 54% | 0.535 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 176.7 | -168.1 | 69.4 | -168.2 | 169.4 | 0 | 112.3 | L8 S9 M10 Q15 V16 | L8-K12 WeakPolarHBondContact O-CB 3.48Å; L8-K12 PolarHBondContact O-N 2.97Å; S9-K12 PolarHBondContact O-N 3.09Å; M10-K12 PolarHBondContact O-N 2.89Å; K12-Q15 PolarHBondContact O-N 2.86Å; K12-V16 WeakPolarHBondContact O-CG2 3.41Å; K12-V16 PolarHBondContact O-N 2.98Å |
| 13 | R | 95.5 | Very high | 93.6 | Very high | 161 Ų | 161 | 102.6 Ų | 102.6 | 61% | 0.608 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -43 | 175.3 | -75.5 | -173.5 | -71.6 | 174.8 | -1.5 | 111.9 | S9 M10 V16 R17 | S9-R13 PolarHBondContact O-N 3.46Å; M10-R13 PolarHBondContact O-N 3.33Å; M10-R13 VanDerWaalsContact O-N 3.15Å; R13-V16 PolarHBondContact O-N 3.43Å; R13-R17 PolarHBondContact O-N 3.3Å |
| 14 | E | 96 | Very high | 94.7 | Very high | 90 Ų | 90 | 102.4 Ų | 102.4 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -41 | 177.2 | -161.9 | 61.7 | -158.8 | 0 | 0 | 111.3 | M10 L11 V16 R17 C18 | M10-E14 PolarHBondContact O-N 3.43Å; L11-E14 PolarHBondContact O-N 3.07Å; E14-V16 VanDerWaalsContact C-N 3.33Å; E14-V16 PolarHBondContact O-N 3.41Å; E14-R17 PolarHBondContact O-N 2.99Å; E14-R17 IonicContact OE1-NH1 3.96Å; E14-R17 IonicContact OE2-CZ 3.75Å; E14-R17 IonicContact OE2-NH1 3.32Å; E14-R17 PolarHBondContact OE2-NH1 2.94Å; E14-C18 PolarHBondContact O-N 3.28Å; E14-C18 PolarHBondContact O-SG 3.49Å; E14-C18 VanDerWaalsContact O-SG 3.33Å |
| 15 | Q | 96.6 | Very high | 95.2 | Very high | 77 Ų | 77 | 104.5 Ų | 104.5 | 36% | 0.36 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 173.8 | -178 | -176.7 | 41.7 | 0 | 0 | 111.6 | L11 K12 C18 Y19 | L11-Q15 VanDerWaalsContact O-CB 3.24Å; L11-Q15 WeakPolarHBondContact O-CB 3.35Å; L11-Q15 PolarHBondContact O-N 3.25Å; K12-Q15 PolarHBondContact O-N 2.86Å; Q15-C18 PolarHBondContact O-N 3.41Å; Q15-Y19 HydrophobicContact CG-CD2 3.86Å; Q15-Y19 HydrophobicContact CG-CE2 3.46Å; Q15-Y19 VanDerWaalsContact CG-CE2 3.46Å; Q15-Y19 WeakPolarHBondContact O-CD2 3.47Å; Q15-Y19 PolarHBondContact O-N 2.92Å; Q15-Y19 VanDerWaalsContact O-N 3.08Å |
| 16 | V | 96.8 | Very high | 95.7 | Very high | 66 Ų | 66 | 102.5 Ų | 102.5 | 40% | 0.4 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 177 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | K12 R13 E14 C18 Y19 E20 | K12-V16 WeakPolarHBondContact O-CG2 3.41Å; K12-V16 PolarHBondContact O-N 2.98Å; R13-V16 PolarHBondContact O-N 3.43Å; E14-V16 VanDerWaalsContact C-N 3.33Å; E14-V16 PolarHBondContact O-N 3.41Å; V16-C18 PolarHBondContact O-N 3.47Å; V16-Y19 PolarHBondContact O-N 3.38Å; V16-Y19 VanDerWaalsContact O-N 3.14Å; V16-E20 HydrophobicContact CG1-CG 4.49Å; V16-E20 WeakPolarHBondContact O-CG 3.36Å; V16-E20 PolarHBondContact O-N 2.91Å |
| 17 | R | 97.4 | Very high | 96.1 | Very high | 133 Ų | 133 | 102.2 Ų | 102.2 | 50% | 0.502 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 176.6 | -175 | -174.2 | -65.3 | 171.9 | -3 | 112 | R13 E14 Y19 E20 D21 | R13-R17 PolarHBondContact O-N 3.3Å; E14-R17 PolarHBondContact O-N 2.99Å; E14-R17 IonicContact OE1-NH1 3.96Å; E14-R17 IonicContact OE2-CZ 3.75Å; E14-R17 IonicContact OE2-NH1 3.32Å; E14-R17 PolarHBondContact OE2-NH1 2.94Å; R17-Y19 VanDerWaalsContact C-N 3.28Å; R17-Y19 PolarHBondContact O-N 3.5Å; R17-E20 PolarHBondContact O-N 3.3Å; R17-E20 VanDerWaalsContact O-N 3.15Å; R17-D21 PolarHBondContact O-N 2.87Å |
| 18 | C | 97.7 | Very high | 96.4 | Very high | 59 Ų | 59 | 102.3 Ų | 102.3 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 176.6 | -68.1 | 0 | 0 | 0 | 0 | 112.1 | E14 Q15 V16 D21 I22 | E14-C18 PolarHBondContact O-N 3.28Å; E14-C18 PolarHBondContact O-SG 3.49Å; E14-C18 VanDerWaalsContact O-SG 3.33Å; Q15-C18 PolarHBondContact O-N 3.41Å; V16-C18 PolarHBondContact O-N 3.47Å; C18-D21 PolarHBondContact O-N 3.48Å; C18-I22 WeakPolarHBondContact O-CD1 3.37Å; C18-I22 VanDerWaalsContact O-CG1 3.22Å; C18-I22 WeakPolarHBondContact O-CG1 3.47Å; C18-I22 PolarHBondContact O-N 2.92Å |
| 19 | Y | 97.8 | Very high | 96.7 | Very high | 136 Ų | 136 | 100.6 Ų | 100.6 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 175.2 | -76.7 | -55.4 | 0 | 0 | 0 | 112.4 | Q15 V16 R17 I22 I23 | Q15-Y19 HydrophobicContact CG-CD2 3.86Å; Q15-Y19 HydrophobicContact CG-CE2 3.46Å; Q15-Y19 VanDerWaalsContact CG-CE2 3.46Å; Q15-Y19 WeakPolarHBondContact O-CD2 3.47Å; Q15-Y19 PolarHBondContact O-N 2.92Å; Q15-Y19 VanDerWaalsContact O-N 3.08Å; V16-Y19 PolarHBondContact O-N 3.38Å; V16-Y19 VanDerWaalsContact O-N 3.14Å; R17-Y19 VanDerWaalsContact C-N 3.28Å; R17-Y19 PolarHBondContact O-N 3.5Å; Y19-I22 PolarHBondContact O-N 2.96Å; Y19-I23 WeakPolarHBondContact O-CD1 3.44Å; Y19-I23 VanDerWaalsContact O-CG1 3.26Å; Y19-I23 WeakPolarHBondContact O-CG1 3.34Å; Y19-I23 PolarHBondContact O-N 2.87Å |
| 20 | E | 97 | Very high | 96.9 | Very high | 123 Ų | 123 | 104.4 Ų | 104.4 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 175.1 | -70.2 | 171.9 | 166.2 | 0 | 0 | 111.7 | V16 R17 I23 S24 | V16-E20 HydrophobicContact CG1-CG 4.49Å; V16-E20 WeakPolarHBondContact O-CG 3.36Å; V16-E20 PolarHBondContact O-N 2.91Å; R17-E20 PolarHBondContact O-N 3.3Å; R17-E20 VanDerWaalsContact O-N 3.15Å; E20-I23 PolarHBondContact O-N 3.01Å; E20-S24 WeakPolarHBondContact O-CB 3.41Å; E20-S24 PolarHBondContact O-N 3.18Å |
| 21 | D | 98 | Very high | 97 | Very high | 88 Ų | 88 | 103.5 Ų | 103.5 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.1 | -70.9 | -22.9 | 0 | 0 | 0 | 111.7 | R17 C18 S24 L25 | R17-D21 PolarHBondContact O-N 2.87Å; C18-D21 PolarHBondContact O-N 3.48Å; D21-S24 WeakPolarHBondContact O-CB 3.41Å; D21-S24 PolarHBondContact O-N 3.35Å; D21-L25 WeakPolarHBondContact O-CB 3.36Å; D21-L25 WeakPolarHBondContact O-CG 3.45Å; D21-L25 PolarHBondContact O-N 2.95Å |
| 22 | I | 97.6 | Very high | 97.1 | Very high | 86 Ų | 86 | 102.2 Ų | 102.2 | 44% | 0.441 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 175.4 | -71.1 | 164.9 | 0 | 0 | 0 | 110.6 | C18 Y19 S24 L25 E26 | C18-I22 WeakPolarHBondContact O-CD1 3.37Å; C18-I22 VanDerWaalsContact O-CG1 3.22Å; C18-I22 WeakPolarHBondContact O-CG1 3.47Å; C18-I22 PolarHBondContact O-N 2.92Å; Y19-I22 PolarHBondContact O-N 2.96Å; I22-S24 VanDerWaalsContact C-N 3.29Å; I22-S24 PolarHBondContact O-N 3.37Å; I22-L25 PolarHBondContact O-N 3.13Å; I22-E26 HydrophobicContact CG2-CG 4.44Å; I22-E26 WeakPolarHBondContact O-CG 3.28Å; I22-E26 PolarHBondContact O-N 3.4Å |
| 23 | I | 97.3 | Very high | 97.2 | Very high | 109 Ų | 109 | 100.9 Ų | 100.9 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61 | -40.9 | 178.4 | -69.4 | 165.1 | 0 | 0 | 0 | 110.9 | Y19 E20 E26 K27 | Y19-I23 WeakPolarHBondContact O-CD1 3.44Å; Y19-I23 VanDerWaalsContact O-CG1 3.26Å; Y19-I23 WeakPolarHBondContact O-CG1 3.34Å; Y19-I23 PolarHBondContact O-N 2.87Å; E20-I23 PolarHBondContact O-N 3.01Å; I23-E26 PolarHBondContact O-N 3.05Å; I23-K27 PolarHBondContact O-N 2.92Å; I23-K27 VanDerWaalsContact O-N 3.07Å |
| 24 | S | 97.5 | Very high | 97.3 | Very high | 76 Ų | 76 | 95.1 Ų | 95.1 | 53% | 0.531 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 176.3 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | E20 D21 I22 K27 S28 | E20-S24 WeakPolarHBondContact O-CB 3.41Å; E20-S24 PolarHBondContact O-N 3.18Å; D21-S24 WeakPolarHBondContact O-CB 3.41Å; D21-S24 PolarHBondContact O-N 3.35Å; I22-S24 VanDerWaalsContact C-N 3.29Å; I22-S24 PolarHBondContact O-N 3.37Å; S24-K27 PolarHBondContact O-N 3.15Å; S24-S28 PolarHBondContact O-N 3.4Å |
| 25 | L | 97.6 | Very high | 97.4 | Very high | 119 Ų | 119 | 98.3 Ų | 98.3 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 177.2 | -73.9 | 171.2 | 0 | 0 | 0 | 112.1 | D21 I22 K27 S28 S29 | D21-L25 WeakPolarHBondContact O-CB 3.36Å; D21-L25 WeakPolarHBondContact O-CG 3.45Å; D21-L25 PolarHBondContact O-N 2.95Å; I22-L25 PolarHBondContact O-N 3.13Å; L25-K27 VanDerWaalsContact C-N 3.31Å; L25-K27 PolarHBondContact O-N 2.89Å; L25-S28 PolarHBondContact O-N 2.89Å; L25-S29 WeakPolarHBondContact O-CB 3.42Å; L25-S29 PolarHBondContact O-N 3.22Å |
| 26 | E | 97.1 | Very high | 97.4 | Very high | 109 Ų | 109 | 99 Ų | 99 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 175.7 | -76.5 | -174.5 | 166.4 | 0 | 0 | 112 | I22 I23 K30 | I22-E26 HydrophobicContact CG2-CG 4.44Å; I22-E26 WeakPolarHBondContact O-CG 3.28Å; I22-E26 PolarHBondContact O-N 3.4Å; I23-E26 PolarHBondContact O-N 3.05Å; E26-K30 WeakPolarHBondContact O-CG 3.45Å; E26-K30 PolarHBondContact O-N 3.43Å |
| 27 | K | 96.8 | Very high | 97.5 | Very high | 143 Ų | 143 | 100.9 Ų | 100.9 | 62% | 0.622 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.1 | -47.8 | 175.5 | -172.6 | 179.5 | 177.9 | -176.4 | 0 | 111.3 | I23 S24 L25 S29 K30 D31 | I23-K27 PolarHBondContact O-N 2.92Å; I23-K27 VanDerWaalsContact O-N 3.07Å; S24-K27 PolarHBondContact O-N 3.15Å; L25-K27 VanDerWaalsContact C-N 3.31Å; L25-K27 PolarHBondContact O-N 2.89Å; K27-S29 VanDerWaalsContact C-N 3.31Å; K27-S29 PolarHBondContact O-N 3.01Å; K27-K30 WeakPolarHBondContact O-CB 3.44Å; K27-K30 PolarHBondContact O-N 3.22Å; K27-D31 PolarHBondContact O-N 3.1Å |
| 28 | S | 97.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 101.9 Ų | 101.9 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 176.7 | -178.7 | 0 | 0 | 0 | 0 | 112 | S24 L25 K30 D31 I32 | S24-S28 PolarHBondContact O-N 3.4Å; L25-S28 PolarHBondContact O-N 2.89Å; S28-K30 PolarHBondContact O-N 3.37Å; S28-D31 PolarHBondContact O-N 3.4Å; S28-I32 VanDerWaalsContact O-CG1 3.31Å; S28-I32 WeakPolarHBondContact O-CG1 3.5Å; S28-I32 PolarHBondContact O-N 2.95Å |
| 29 | S | 97.8 | Very high | 97.4 | Very high | 58 Ų | 58 | 101.4 Ų | 101.4 | 41% | 0.406 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 175.4 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | L25 K27 I32 N33 | L25-S29 WeakPolarHBondContact O-CB 3.42Å; L25-S29 PolarHBondContact O-N 3.22Å; K27-S29 VanDerWaalsContact C-N 3.31Å; K27-S29 PolarHBondContact O-N 3.01Å; S29-I32 PolarHBondContact O-N 3.31Å; S29-N33 WeakPolarHBondContact O-CB 3.44Å; S29-N33 VanDerWaalsContact O-CG 3.27Å; S29-N33 PolarHBondContact O-N 3.49Å; S29-N33 PolarHBondContact O-ND2 3.49Å |
| 30 | K | 97.4 | Very high | 97.4 | Very high | 143 Ų | 143 | 98 Ų | 98 | 62% | 0.622 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 174.4 | -75.4 | 172.3 | -178.4 | 171.8 | 0 | 112.2 | E26 K27 S28 N33 A34 | E26-K30 WeakPolarHBondContact O-CG 3.45Å; E26-K30 PolarHBondContact O-N 3.43Å; K27-K30 WeakPolarHBondContact O-CB 3.44Å; K27-K30 PolarHBondContact O-N 3.22Å; S28-K30 PolarHBondContact O-N 3.37Å; K30-N33 PolarHBondContact O-N 2.9Å; K30-A34 WeakPolarHBondContact O-CB 3.39Å; K30-A34 PolarHBondContact O-N 2.99Å |
| 31 | D | 97.6 | Very high | 97.4 | Very high | 99 Ų | 99 | 96.3 Ų | 96.3 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 178.1 | -69.3 | -22.5 | 0 | 0 | 0 | 111.5 | K27 S28 A34 Y35 | K27-D31 PolarHBondContact O-N 3.1Å; S28-D31 PolarHBondContact O-N 3.4Å; D31-A34 PolarHBondContact O-N 3.43Å; D31-Y35 PolarHBondContact O-N 3.34Å |
| 32 | I | 97.6 | Very high | 97.3 | Very high | 90 Ų | 90 | 98.5 Ų | 98.5 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 174.5 | -69.3 | 166.1 | 0 | 0 | 0 | 110.8 | S28 S29 A34 Y35 L36 | S28-I32 VanDerWaalsContact O-CG1 3.31Å; S28-I32 WeakPolarHBondContact O-CG1 3.5Å; S28-I32 PolarHBondContact O-N 2.95Å; S29-I32 PolarHBondContact O-N 3.31Å; I32-A34 VanDerWaalsContact C-N 3.32Å; I32-A34 PolarHBondContact O-N 3.11Å; I32-Y35 WeakPolarHBondContact O-CB 3.41Å; I32-Y35 PolarHBondContact O-N 3.26Å; I32-Y35 VanDerWaalsContact O-N 3.15Å; I32-L36 HydrophobicContact CG2-CD1 3.98Å; I32-L36 HydrophobicContact CG2-CG 4.32Å; I32-L36 WeakPolarHBondContact O-CG 3.46Å; I32-L36 PolarHBondContact O-N 2.89Å |
| 33 | N | 97.6 | Very high | 97.3 | Very high | 95 Ų | 95 | 99.4 Ų | 99.4 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 178.1 | -73.9 | -19.3 | 0 | 0 | 0 | 111.9 | S29 K30 Y35 L36 Q37 | S29-N33 WeakPolarHBondContact O-CB 3.44Å; S29-N33 VanDerWaalsContact O-CG 3.27Å; S29-N33 PolarHBondContact O-N 3.49Å; S29-N33 PolarHBondContact O-ND2 3.49Å; K30-N33 PolarHBondContact O-N 2.9Å; N33-Y35 VanDerWaalsContact C-N 3.32Å; N33-Y35 PolarHBondContact O-N 2.9Å; N33-L36 PolarHBondContact O-N 2.85Å; N33-Q37 WeakPolarHBondContact O-CB 3.42Å; N33-Q37 PolarHBondContact O-N 3.09Å |
| 34 | A | 97.3 | Very high | 97.3 | Very high | 40 Ų | 40 | 98.5 Ų | 98.5 | 33% | 0.331 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -33.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K30 D31 I32 R38 | K30-A34 WeakPolarHBondContact O-CB 3.39Å; K30-A34 PolarHBondContact O-N 2.99Å; D31-A34 PolarHBondContact O-N 3.43Å; I32-A34 VanDerWaalsContact C-N 3.32Å; I32-A34 PolarHBondContact O-N 3.11Å; A34-R38 WeakPolarHBondContact O-CG 3.44Å; A34-R38 PolarHBondContact O-N 3.41Å; A34-R38 PolarHBondContact O-NE 2.87Å |
| 35 | Y | 97.2 | Very high | 97.3 | Very high | 156 Ų | 156 | 96.4 Ų | 96.4 | 61% | 0.612 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.5 | -46.8 | 172.7 | 175.2 | -96.2 | 0 | 0 | 0 | 111.7 | D31 I32 N33 Q37 R38 S39 | D31-Y35 PolarHBondContact O-N 3.34Å; I32-Y35 WeakPolarHBondContact O-CB 3.41Å; I32-Y35 PolarHBondContact O-N 3.26Å; I32-Y35 VanDerWaalsContact O-N 3.15Å; N33-Y35 VanDerWaalsContact C-N 3.32Å; N33-Y35 PolarHBondContact O-N 2.9Å; Y35-Q37 VanDerWaalsContact C-N 3.33Å; Y35-Q37 PolarHBondContact O-N 3.48Å; Y35-R38 PolarHBondContact O-N 2.66Å; Y35-S39 PolarHBondContact O-N 3.32Å |
| 36 | L | 97.7 | Very high | 97.3 | Very high | 91 Ų | 91 | 96 Ų | 96 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 177.6 | -72.3 | 173.7 | 0 | 0 | 0 | 111.5 | I32 N33 R38 S39 V40 | I32-L36 HydrophobicContact CG2-CD1 3.98Å; I32-L36 HydrophobicContact CG2-CG 4.32Å; I32-L36 WeakPolarHBondContact O-CG 3.46Å; I32-L36 PolarHBondContact O-N 2.89Å; N33-L36 PolarHBondContact O-N 2.85Å; L36-R38 PolarHBondContact O-N 3.4Å; L36-S39 WeakPolarHBondContact O-CB 3.35Å; L36-S39 PolarHBondContact O-N 2.9Å; L36-S39 VanDerWaalsContact O-N 3.13Å; L36-V40 WeakPolarHBondContact O-CG2 3.12Å; L36-V40 PolarHBondContact O-N 3.22Å |
| 37 | Q | 97.4 | Very high | 97.3 | Very high | 107 Ų | 107 | 94.7 Ų | 94.7 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 177.6 | -171.6 | 60.4 | 43.6 | 0 | 0 | 111.7 | N33 Y35 S39 V40 D41 | N33-Q37 WeakPolarHBondContact O-CB 3.42Å; N33-Q37 PolarHBondContact O-N 3.09Å; Y35-Q37 VanDerWaalsContact C-N 3.33Å; Y35-Q37 PolarHBondContact O-N 3.48Å; Q37-S39 VanDerWaalsContact C-N 3.27Å; Q37-S39 PolarHBondContact O-N 2.83Å; Q37-V40 PolarHBondContact O-N 3.48Å; Q37-D41 PolarHBondContact NE2-OD1 2.85Å; Q37-D41 PolarHBondContact O-N 3.29Å |
| 38 | R | 97 | Very high | 97.4 | Very high | 153 Ų | 153 | 90.2 Ų | 90.2 | 58% | 0.577 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.6 | -38.2 | 175.3 | -74.5 | -179.2 | -115.9 | 163.6 | -4.8 | 112.3 | A34 Y35 L36 Q42 | A34-R38 WeakPolarHBondContact O-CG 3.44Å; A34-R38 PolarHBondContact O-N 3.41Å; A34-R38 PolarHBondContact O-NE 2.87Å; Y35-R38 PolarHBondContact O-N 2.66Å; L36-R38 PolarHBondContact O-N 3.4Å; R38-Q42 WeakPolarHBondContact O-CB 3.45Å; R38-Q42 VanDerWaalsContact O-CG 3.23Å; R38-Q42 WeakPolarHBondContact O-CG 3.33Å; R38-Q42 PolarHBondContact O-N 2.84Å |
| 39 | S | 96.7 | Very high | 97.4 | Very high | 49 Ų | 49 | 93.3 Ų | 93.3 | 34% | 0.343 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 177 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | Y35 L36 Q37 Q42 Q43 | Y35-S39 PolarHBondContact O-N 3.32Å; L36-S39 WeakPolarHBondContact O-CB 3.35Å; L36-S39 PolarHBondContact O-N 2.9Å; L36-S39 VanDerWaalsContact O-N 3.13Å; Q37-S39 VanDerWaalsContact C-N 3.27Å; Q37-S39 PolarHBondContact O-N 2.83Å; S39-Q42 PolarHBondContact O-N 3.42Å; S39-Q43 WeakPolarHBondContact O-CB 3.29Å; S39-Q43 PolarHBondContact O-N 2.97Å |
| 40 | V | 97.6 | Very high | 97.4 | Very high | 65 Ų | 65 | 96.2 Ų | 96.2 | 39% | 0.394 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 174.8 | 171 | 0 | 0 | 0 | 0 | 110.2 | L36 Q37 Q42 Q43 D44 | L36-V40 WeakPolarHBondContact O-CG2 3.12Å; L36-V40 PolarHBondContact O-N 3.22Å; Q37-V40 PolarHBondContact O-N 3.48Å; V40-Q42 VanDerWaalsContact C-N 3.26Å; V40-Q42 PolarHBondContact O-N 3.07Å; V40-Q43 PolarHBondContact O-N 3.35Å; V40-D44 PolarHBondContact O-N 2.96Å |
| 41 | D | 96.5 | Very high | 97.5 | Very high | 87 Ų | 87 | 96.9 Ų | 96.9 | 47% | 0.465 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -37.5 | 178.8 | -59.1 | -20.2 | 0 | 0 | 0 | 111.7 | Q37 G45 | Q37-D41 PolarHBondContact NE2-OD1 2.85Å; Q37-D41 PolarHBondContact O-N 3.29Å; D41-G45 PolarHBondContact O-N 3.47Å |
| 42 | Q | 97 | Very high | 97.5 | Very high | 134 Ų | 134 | 96.4 Ų | 96.4 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66 | -43.9 | 174 | -78.4 | 176.7 | -5.4 | 0 | 0 | 112.3 | R38 S39 V40 G45 L46 | R38-Q42 WeakPolarHBondContact O-CB 3.45Å; R38-Q42 VanDerWaalsContact O-CG 3.23Å; R38-Q42 WeakPolarHBondContact O-CG 3.33Å; R38-Q42 PolarHBondContact O-N 2.84Å; S39-Q42 PolarHBondContact O-N 3.42Å; V40-Q42 VanDerWaalsContact C-N 3.26Å; V40-Q42 PolarHBondContact O-N 3.07Å; Q42-G45 PolarHBondContact O-N 3.28Å; Q42-L46 WeakPolarHBondContact O-CG 3.42Å; Q42-L46 PolarHBondContact O-N 2.86Å |
| 43 | Q | 97.7 | Very high | 97.5 | Very high | 106 Ų | 106 | 94.7 Ų | 94.7 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 177.5 | -177.1 | -179.6 | -27.5 | 0 | 0 | 110.8 | S39 V40 G45 L46 E47 | S39-Q43 WeakPolarHBondContact O-CB 3.29Å; S39-Q43 PolarHBondContact O-N 2.97Å; V40-Q43 PolarHBondContact O-N 3.35Å; Q43-G45 VanDerWaalsContact C-N 3.26Å; Q43-G45 PolarHBondContact O-N 3.49Å; Q43-L46 PolarHBondContact O-N 2.87Å; Q43-L46 VanDerWaalsContact O-N 3.08Å; Q43-E47 HydrophobicContact CG-CG 4.48Å; Q43-E47 PolarHBondContact NE2-OE1 3Å; Q43-E47 WeakPolarHBondContact O-CG 3.14Å; Q43-E47 PolarHBondContact O-N 2.92Å |
| 44 | D | 96.8 | Very high | 97.5 | Very high | 89 Ų | 89 | 94.8 Ų | 94.8 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 177.1 | -72.8 | -12.8 | 0 | 0 | 0 | 111.3 | V40 E47 A48 | V40-D44 PolarHBondContact O-N 2.96Å; D44-E47 PolarHBondContact O-N 2.79Å; D44-A48 WeakPolarHBondContact O-CB 3.19Å; D44-A48 PolarHBondContact O-N 2.89Å |
| 45 | G | 97.5 | Very high | 97.5 | Very high | 32 Ų | 32 | 99.4 Ų | 99.4 | 33% | 0.33 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D41 Q42 Q43 Q49 | D41-G45 PolarHBondContact O-N 3.47Å; Q42-G45 PolarHBondContact O-N 3.28Å; Q43-G45 VanDerWaalsContact C-N 3.26Å; Q43-G45 PolarHBondContact O-N 3.49Å; G45-Q49 WeakPolarHBondContact O-CG 3.39Å; G45-Q49 PolarHBondContact O-N 3.37Å |
| 46 | L | 98 | Very high | 97.5 | Very high | 112 Ų | 112 | 98.5 Ų | 98.5 | 59% | 0.586 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.4 | -40.3 | 176.7 | -72.2 | 172.3 | 0 | 0 | 0 | 112 | Q42 Q43 A48 Q49 L50 | Q42-L46 WeakPolarHBondContact O-CG 3.42Å; Q42-L46 PolarHBondContact O-N 2.86Å; Q43-L46 PolarHBondContact O-N 2.87Å; Q43-L46 VanDerWaalsContact O-N 3.08Å; L46-A48 VanDerWaalsContact C-N 3.34Å; L46-A48 PolarHBondContact O-N 3.15Å; L46-Q49 PolarHBondContact O-N 3.34Å; L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 PolarHBondContact O-N 3.31Å |
| 47 | E | 97.9 | Very high | 97.5 | Very high | 81 Ų | 81 | 100.1 Ų | 100.1 | 38% | 0.379 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 175.6 | -74.3 | -173.3 | -163.9 | 0 | 0 | 111.5 | Q43 D44 L50 R51 | Q43-E47 HydrophobicContact CG-CG 4.48Å; Q43-E47 PolarHBondContact NE2-OE1 3Å; Q43-E47 WeakPolarHBondContact O-CG 3.14Å; Q43-E47 PolarHBondContact O-N 2.92Å; D44-E47 PolarHBondContact O-N 2.79Å; E47-L50 PolarHBondContact O-N 3.46Å; E47-R51 WeakPolarHBondContact O-CG 3.43Å; E47-R51 PolarHBondContact O-N 3.07Å |
| 48 | A | 97.6 | Very high | 97.5 | Very high | 49 Ų | 49 | 100.8 Ų | 100.8 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | D44 L46 R51 N52 | D44-A48 WeakPolarHBondContact O-CB 3.19Å; D44-A48 PolarHBondContact O-N 2.89Å; L46-A48 VanDerWaalsContact C-N 3.34Å; L46-A48 PolarHBondContact O-N 3.15Å; A48-R51 PolarHBondContact O-N 3.31Å; A48-N52 PolarHBondContact O-N 3.15Å; A48-N52 PolarHBondContact O-ND2 2.87Å |
| 49 | Q | 97.9 | Very high | 97.6 | Very high | 123 Ų | 123 | 98.3 Ų | 98.3 | 58% | 0.575 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.6 | -44.4 | 174.7 | -73.3 | 177 | 34.3 | 0 | 0 | 111.8 | G45 L46 R51 N52 V53 | G45-Q49 WeakPolarHBondContact O-CG 3.39Å; G45-Q49 PolarHBondContact O-N 3.37Å; L46-Q49 PolarHBondContact O-N 3.34Å; Q49-R51 PolarHBondContact O-N 2.94Å; Q49-N52 PolarHBondContact O-N 2.78Å; Q49-V53 WeakPolarHBondContact O-CG2 3.38Å; Q49-V53 PolarHBondContact O-N 3.32Å |
| 50 | L | 98.3 | Very high | 97.6 | Very high | 119 Ų | 119 | 100.3 Ų | 100.3 | 62% | 0.623 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.2 | -45.7 | 178.7 | -177.2 | 62.6 | 0 | 0 | 0 | 111.4 | L46 E47 N52 V53 E54 | L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 PolarHBondContact O-N 3.31Å; E47-L50 PolarHBondContact O-N 3.46Å; L50-N52 VanDerWaalsContact C-N 3.28Å; L50-N52 PolarHBondContact O-N 2.94Å; L50-V53 PolarHBondContact O-N 3.45Å; L50-E54 WeakPolarHBondContact O-CB 3.37Å; L50-E54 PolarHBondContact O-N 3Å |
| 51 | R | 97.9 | Very high | 97.7 | Very high | 158 Ų | 158 | 103.1 Ų | 103.1 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.1 | -37.9 | 175.2 | -72.4 | 175.2 | -173.5 | -97.7 | 4 | 112.4 | E47 A48 Q49 R55 | E47-R51 WeakPolarHBondContact O-CG 3.43Å; E47-R51 PolarHBondContact O-N 3.07Å; A48-R51 PolarHBondContact O-N 3.31Å; Q49-R51 PolarHBondContact O-N 2.94Å; R51-R55 WeakPolarHBondContact O-CB 3.49Å; R51-R55 PolarHBondContact O-N 3.48Å |
| 52 | N | 97.9 | Very high | 97.7 | Very high | 88 Ų | 88 | 101.3 Ų | 101.3 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.7 | -40.1 | 176.4 | -74.8 | -23.8 | 0 | 0 | 0 | 112.3 | A48 Q49 L50 R55 R56 | A48-N52 PolarHBondContact O-N 3.15Å; A48-N52 PolarHBondContact O-ND2 2.87Å; Q49-N52 PolarHBondContact O-N 2.78Å; L50-N52 VanDerWaalsContact C-N 3.28Å; L50-N52 PolarHBondContact O-N 2.94Å; N52-R55 PolarHBondContact OD1-NH1 3.43Å; N52-R56 WeakPolarHBondContact O-CB 3.39Å; N52-R56 PolarHBondContact O-N 2.92Å |
| 53 | V | 98 | Very high | 97.8 | Very high | 54 Ų | 54 | 100.8 Ų | 100.8 | 33% | 0.327 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -49.1 | 173.5 | 172 | 0 | 0 | 0 | 0 | 110.4 | Q49 L50 R55 R56 M57 | Q49-V53 WeakPolarHBondContact O-CG2 3.38Å; Q49-V53 PolarHBondContact O-N 3.32Å; L50-V53 PolarHBondContact O-N 3.45Å; V53-R55 VanDerWaalsContact C-N 3.35Å; V53-R55 PolarHBondContact O-N 2.87Å; V53-R56 PolarHBondContact O-N 3.32Å; V53-M57 HydrophobicContact CG1-CG 4.26Å; V53-M57 HydrophobicContact CG1-SD 3.93Å; V53-M57 WeakPolarHBondContact O-CG 3.42Å; V53-M57 PolarHBondContact O-N 3Å |
| 54 | E | 97.9 | Very high | 97.8 | Very high | 97 Ų | 97 | 102 Ų | 102 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 179.6 | -170.2 | -165.9 | 159.5 | 0 | 0 | 111.7 | L50 M57 K58 | L50-E54 WeakPolarHBondContact O-CB 3.37Å; L50-E54 PolarHBondContact O-N 3Å; E54-M57 PolarHBondContact O-N 3.3Å; E54-K58 HydrophobicContact CG-CD 4.42Å; E54-K58 WeakPolarHBondContact O-CG 3.37Å; E54-K58 PolarHBondContact O-N 2.94Å; E54-K58 WeakPolarHBondContact OE1-CE 3.41Å; E54-K58 IonicContact OE1-NZ 2.66Å; E54-K58 PolarHBondContact OE1-NZ 3.23Å |
| 55 | R | 97.9 | Very high | 97.8 | Very high | 138 Ų | 138 | 104.3 Ų | 104.3 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -51.4 | 177.4 | -170 | -174.3 | -56.8 | 112.7 | 2.9 | 111.4 | R51 N52 V53 M57 K58 D59 | R51-R55 WeakPolarHBondContact O-CB 3.49Å; R51-R55 PolarHBondContact O-N 3.48Å; N52-R55 PolarHBondContact OD1-NH1 3.43Å; V53-R55 VanDerWaalsContact C-N 3.35Å; V53-R55 PolarHBondContact O-N 2.87Å; R55-M57 VanDerWaalsContact C-N 3.35Å; R55-M57 PolarHBondContact O-N 3.47Å; R55-K58 WeakPolarHBondContact O-CB 3.41Å; R55-K58 PolarHBondContact O-N 3.47Å; R55-K58 VanDerWaalsContact O-N 3.16Å; R55-D59 VanDerWaalsContact O-CG 3.27Å; R55-D59 PolarHBondContact O-N 3.09Å |
| 56 | R | 97.6 | Very high | 97.9 | Very high | 137 Ų | 137 | 107.5 Ų | 107.5 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 178.9 | 173 | 176.9 | 45.1 | 159.8 | -2.4 | 112.3 | N52 V53 K58 D59 E60 | N52-R56 WeakPolarHBondContact O-CB 3.39Å; N52-R56 PolarHBondContact O-N 2.92Å; V53-R56 PolarHBondContact O-N 3.32Å; R56-K58 VanDerWaalsContact C-N 3.32Å; R56-K58 PolarHBondContact O-N 3.25Å; R56-D59 PolarHBondContact O-N 3.45Å; R56-E60 HydrophobicContact CG-CG 4.32Å; R56-E60 VanDerWaalsContact CG-OE1 3.23Å; R56-E60 WeakPolarHBondContact CG-OE1 3.39Å; R56-E60 WeakPolarHBondContact O-CB 3.43Å; R56-E60 WeakPolarHBondContact O-CG 3.32Å; R56-E60 PolarHBondContact O-N 3.11Å |
| 57 | M | 97.3 | Very high | 97.9 | Very high | 124 Ų | 124 | 105.9 Ų | 105.9 | 61% | 0.611 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -39.1 | 177.2 | -71.8 | -175.2 | 91.1 | 0 | 0 | 111.8 | V53 E54 R55 L61 | V53-M57 HydrophobicContact CG1-CG 4.26Å; V53-M57 HydrophobicContact CG1-SD 3.93Å; V53-M57 WeakPolarHBondContact O-CG 3.42Å; V53-M57 PolarHBondContact O-N 3Å; E54-M57 PolarHBondContact O-N 3.3Å; R55-M57 VanDerWaalsContact C-N 3.35Å; R55-M57 PolarHBondContact O-N 3.47Å; M57-L61 WeakPolarHBondContact O-CB 3.41Å; M57-L61 PolarHBondContact O-N 3.34Å |
| 58 | K | 97.7 | Very high | 97.9 | Very high | 122 Ų | 122 | 107 Ų | 107 | 53% | 0.53 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 174.1 | -77.9 | 173.4 | 170.4 | 170.5 | 0 | 111.6 | E54 R55 R56 L61 A62 | E54-K58 HydrophobicContact CG-CD 4.42Å; E54-K58 WeakPolarHBondContact O-CG 3.37Å; E54-K58 PolarHBondContact O-N 2.94Å; E54-K58 WeakPolarHBondContact OE1-CE 3.41Å; E54-K58 IonicContact OE1-NZ 2.66Å; E54-K58 PolarHBondContact OE1-NZ 3.23Å; R55-K58 WeakPolarHBondContact O-CB 3.41Å; R55-K58 PolarHBondContact O-N 3.47Å; R55-K58 VanDerWaalsContact O-N 3.16Å; R56-K58 VanDerWaalsContact C-N 3.32Å; R56-K58 PolarHBondContact O-N 3.25Å; K58-L61 PolarHBondContact O-N 3.03Å; K58-A62 WeakPolarHBondContact O-CB 3.31Å; K58-A62 PolarHBondContact O-N 3.38Å |
| 59 | D | 97.9 | Very high | 97.9 | Very high | 101 Ų | 101 | 110.2 Ų | 110.2 | 54% | 0.54 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 180 | -63.7 | -22.5 | 0 | 0 | 0 | 111.5 | R55 R56 L61 A62 Q63 | R55-D59 VanDerWaalsContact O-CG 3.27Å; R55-D59 PolarHBondContact O-N 3.09Å; R56-D59 PolarHBondContact O-N 3.45Å; D59-L61 VanDerWaalsContact C-N 3.33Å; D59-L61 PolarHBondContact O-N 3.13Å; D59-A62 PolarHBondContact O-N 2.95Å; D59-Q63 WeakPolarHBondContact O-CB 3.37Å; D59-Q63 PolarHBondContact O-N 2.89Å |
| 60 | E | 97.9 | Very high | 97.9 | Very high | 91 Ų | 91 | 109.8 Ų | 109.8 | 43% | 0.425 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 176.2 | -75 | 177.5 | -160.4 | 0 | 0 | 112.2 | R56 K64 | R56-E60 HydrophobicContact CG-CG 4.32Å; R56-E60 VanDerWaalsContact CG-OE1 3.23Å; R56-E60 WeakPolarHBondContact CG-OE1 3.39Å; R56-E60 WeakPolarHBondContact O-CB 3.43Å; R56-E60 WeakPolarHBondContact O-CG 3.32Å; R56-E60 PolarHBondContact O-N 3.11Å; E60-K64 WeakPolarHBondContact O-CB 3.46Å; E60-K64 WeakPolarHBondContact O-CG 3.44Å; E60-K64 PolarHBondContact O-N 3.3Å |
| 61 | L | 97.9 | Very high | 97.9 | Very high | 123 Ų | 123 | 111.8 Ų | 111.8 | 64% | 0.644 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.4 | -42.5 | 177.3 | -175.4 | 63.9 | 0 | 0 | 0 | 111.3 | M57 K58 D59 Q63 K64 F65 | M57-L61 WeakPolarHBondContact O-CB 3.41Å; M57-L61 PolarHBondContact O-N 3.34Å; K58-L61 PolarHBondContact O-N 3.03Å; D59-L61 VanDerWaalsContact C-N 3.33Å; D59-L61 PolarHBondContact O-N 3.13Å; L61-Q63 VanDerWaalsContact C-N 3.34Å; L61-K64 PolarHBondContact O-N 3.46Å; L61-F65 WeakPolarHBondContact O-CB 3.49Å; L61-F65 PolarHBondContact O-N 2.96Å |
| 62 | A | 97.5 | Very high | 97.9 | Very high | 50 Ų | 50 | 108.9 Ų | 108.9 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K58 D59 F65 N66 | K58-A62 WeakPolarHBondContact O-CB 3.31Å; K58-A62 PolarHBondContact O-N 3.38Å; D59-A62 PolarHBondContact O-N 2.95Å; A62-F65 PolarHBondContact O-N 3.49Å; A62-N66 VanDerWaalsContact O-CG 3.29Å; A62-N66 PolarHBondContact O-N 3.45Å; A62-N66 PolarHBondContact O-ND2 3.38Å |
| 63 | Q | 98 | Very high | 97.8 | Very high | 122 Ų | 122 | 108.7 Ų | 108.7 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.7 | -51.8 | 175 | -175.2 | 176.7 | 1.8 | 0 | 0 | 111.4 | D59 L61 F65 N66 D67 | D59-Q63 WeakPolarHBondContact O-CB 3.37Å; D59-Q63 PolarHBondContact O-N 2.89Å; L61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-F65 VanDerWaalsContact C-N 3.26Å; Q63-F65 PolarHBondContact O-N 3.12Å; Q63-N66 PolarHBondContact O-N 3.04Å; Q63-N66 VanDerWaalsContact O-N 3.1Å; Q63-D67 PolarHBondContact O-N 2.94Å |
| 64 | K | 98 | Very high | 97.8 | Very high | 132 Ų | 132 | 110.9 Ų | 110.9 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.7 | -37.7 | 178 | -76.8 | 177.6 | 178.7 | 175.8 | 0 | 112.8 | E60 L61 L68 | E60-K64 WeakPolarHBondContact O-CB 3.46Å; E60-K64 WeakPolarHBondContact O-CG 3.44Å; E60-K64 PolarHBondContact O-N 3.3Å; L61-K64 PolarHBondContact O-N 3.46Å; K64-L68 WeakPolarHBondContact O-CB 3.47Å; K64-L68 VanDerWaalsContact O-CG 3.32Å; K64-L68 WeakPolarHBondContact O-CG 3.45Å; K64-L68 PolarHBondContact O-N 3.2Å |
| 65 | F | 98.2 | Very high | 97.8 | Very high | 137 Ų | 137 | 110.3 Ų | 110.3 | 60% | 0.601 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.8 | -42.3 | 177 | -174.3 | -95.7 | 0 | 0 | 0 | 111.7 | L61 A62 Q63 L68 K69 | L61-F65 WeakPolarHBondContact O-CB 3.49Å; L61-F65 PolarHBondContact O-N 2.96Å; A62-F65 PolarHBondContact O-N 3.49Å; Q63-F65 VanDerWaalsContact C-N 3.26Å; Q63-F65 PolarHBondContact O-N 3.12Å; F65-L68 PolarHBondContact O-N 3.42Å; F65-K69 WeakPolarHBondContact O-CB 3.44Å; F65-K69 PolarHBondContact O-N 2.91Å |
| 66 | N | 98.2 | Very high | 97.8 | Very high | 100 Ų | 100 | 108.8 Ų | 108.8 | 54% | 0.535 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 176 | -70.1 | -23.7 | 0 | 0 | 0 | 111.8 | A62 Q63 L68 K69 E70 | A62-N66 VanDerWaalsContact O-CG 3.29Å; A62-N66 PolarHBondContact O-N 3.45Å; A62-N66 PolarHBondContact O-ND2 3.38Å; Q63-N66 PolarHBondContact O-N 3.04Å; Q63-N66 VanDerWaalsContact O-N 3.1Å; N66-L68 VanDerWaalsContact C-N 3.32Å; N66-L68 PolarHBondContact O-N 3.01Å; N66-K69 WeakPolarHBondContact O-CB 3.37Å; N66-K69 PolarHBondContact O-N 3.33Å; N66-E70 PolarHBondContact O-N 2.9Å |
| 67 | D | 98.2 | Very high | 97.7 | Very high | 77 Ų | 77 | 105.4 Ų | 105.4 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 177.4 | -64.6 | -12.4 | 0 | 0 | 0 | 111.6 | Q63 R71 | Q63-D67 PolarHBondContact O-N 2.94Å; D67-R71 VanDerWaalsContact O-CG 3.31Å; D67-R71 WeakPolarHBondContact O-CG 3.48Å; D67-R71 PolarHBondContact O-N 2.93Å; D67-R71 VanDerWaalsContact O-N 3.1Å |
| 68 | L | 98.1 | Very high | 97.7 | Very high | 106 Ų | 106 | 106 Ų | 106 | 56% | 0.555 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.1 | -39.6 | 176.1 | -78.5 | 172.2 | 0 | 0 | 0 | 112.1 | K64 F65 N66 R71 L72 | K64-L68 WeakPolarHBondContact O-CB 3.47Å; K64-L68 VanDerWaalsContact O-CG 3.32Å; K64-L68 WeakPolarHBondContact O-CG 3.45Å; K64-L68 PolarHBondContact O-N 3.2Å; F65-L68 PolarHBondContact O-N 3.42Å; N66-L68 VanDerWaalsContact C-N 3.32Å; N66-L68 PolarHBondContact O-N 3.01Å; L68-R71 PolarHBondContact O-N 3.42Å; L68-L72 WeakPolarHBondContact O-CB 3.47Å; L68-L72 PolarHBondContact O-N 3.1Å |
| 69 | K | 97.9 | Very high | 97.7 | Very high | 116 Ų | 116 | 104.8 Ų | 104.8 | 50% | 0.504 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 176.7 | -176.2 | -179.7 | 176.2 | -175.2 | 0 | 111.2 | F65 N66 R71 L72 D73 | F65-K69 WeakPolarHBondContact O-CB 3.44Å; F65-K69 PolarHBondContact O-N 2.91Å; N66-K69 WeakPolarHBondContact O-CB 3.37Å; N66-K69 PolarHBondContact O-N 3.33Å; K69-R71 VanDerWaalsContact C-N 3.31Å; K69-R71 PolarHBondContact O-N 3.32Å; K69-L72 WeakPolarHBondContact O-CB 3.41Å; K69-L72 PolarHBondContact O-N 3.1Å; K69-L72 VanDerWaalsContact O-N 3.12Å; K69-D73 PolarHBondContact O-N 3.37Å |
| 70 | E | 97.9 | Very high | 97.6 | Very high | 114 Ų | 114 | 103.9 Ų | 103.9 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 177.9 | -174.5 | 178.8 | 179.9 | 0 | 0 | 111.8 | N66 L72 D73 Q74 | N66-E70 PolarHBondContact O-N 2.9Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 3.01Å; E70-D73 PolarHBondContact O-N 3Å; E70-Q74 WeakPolarHBondContact O-CG 3.33Å; E70-Q74 PolarHBondContact O-N 3.4Å |
| 71 | R | 97.4 | Very high | 97.5 | Very high | 161 Ų | 161 | 104.4 Ų | 104.4 | 61% | 0.608 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -37.7 | 174.9 | -72.8 | 175 | 63.8 | -163 | -2.1 | 112.8 | D67 L68 K69 Q74 V75 | D67-R71 VanDerWaalsContact O-CG 3.31Å; D67-R71 WeakPolarHBondContact O-CG 3.48Å; D67-R71 PolarHBondContact O-N 2.93Å; D67-R71 VanDerWaalsContact O-N 3.1Å; L68-R71 PolarHBondContact O-N 3.42Å; K69-R71 VanDerWaalsContact C-N 3.31Å; K69-R71 PolarHBondContact O-N 3.32Å; R71-Q74 PolarHBondContact O-N 2.93Å; R71-V75 WeakPolarHBondContact O-CG2 3.37Å; R71-V75 PolarHBondContact O-N 3Å |
| 72 | L | 97.7 | Very high | 97.5 | Very high | 96 Ų | 96 | 103.9 Ų | 103.9 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 175.9 | -179.6 | 62.5 | 0 | 0 | 0 | 110.6 | L68 K69 E70 Q74 V75 E76 | L68-L72 WeakPolarHBondContact O-CB 3.47Å; L68-L72 PolarHBondContact O-N 3.1Å; K69-L72 WeakPolarHBondContact O-CB 3.41Å; K69-L72 PolarHBondContact O-N 3.1Å; K69-L72 VanDerWaalsContact O-N 3.12Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 3.01Å; L72-Q74 PolarHBondContact O-N 3.27Å; L72-V75 PolarHBondContact O-N 3.16Å; L72-V75 VanDerWaalsContact O-N 3.11Å; L72-E76 HydrophobicContact CD1-CG 4.42Å; L72-E76 WeakPolarHBondContact O-CG 3.31Å; L72-E76 PolarHBondContact O-N 3.46Å |
| 73 | D | 97.7 | Very high | 97.4 | Very high | 84 Ų | 84 | 105.3 Ų | 105.3 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59 | -38.1 | 178.3 | -64.8 | -18 | 0 | 0 | 0 | 111.2 | K69 E70 S77 | K69-D73 PolarHBondContact O-N 3.37Å; E70-D73 PolarHBondContact O-N 3Å; D73-S77 WeakPolarHBondContact O-CB 3.37Å; D73-S77 PolarHBondContact O-N 3.43Å; D73-S77 VanDerWaalsContact O-N 3.09Å |
| 74 | Q | 97.6 | Very high | 97.2 | Very high | 100 Ų | 100 | 102.8 Ų | 102.8 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -47.5 | 173.7 | -72.4 | 171.8 | 5.8 | 0 | 0 | 112.4 | E70 R71 L72 E76 S77 E78 | E70-Q74 WeakPolarHBondContact O-CG 3.33Å; E70-Q74 PolarHBondContact O-N 3.4Å; R71-Q74 PolarHBondContact O-N 2.93Å; L72-Q74 PolarHBondContact O-N 3.27Å; Q74-E76 VanDerWaalsContact C-N 3.33Å; Q74-E76 PolarHBondContact O-N 2.96Å; Q74-S77 WeakPolarHBondContact O-CB 3.2Å; Q74-S77 PolarHBondContact O-N 3.41Å; Q74-E78 WeakPolarHBondContact O-CG 3.32Å; Q74-E78 PolarHBondContact O-N 2.91Å |
| 75 | V | 97.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 99.3 Ų | 99.3 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | R71 L72 S77 E78 L79 | R71-V75 WeakPolarHBondContact O-CG2 3.37Å; R71-V75 PolarHBondContact O-N 3Å; L72-V75 PolarHBondContact O-N 3.16Å; L72-V75 VanDerWaalsContact O-N 3.11Å; V75-S77 VanDerWaalsContact C-N 3.33Å; V75-S77 PolarHBondContact O-N 2.87Å; V75-E78 PolarHBondContact O-N 2.94Å; V75-L79 VanDerWaalsContact O-CB 3.31Å; V75-L79 WeakPolarHBondContact O-CB 3.48Å; V75-L79 PolarHBondContact O-N 3.28Å |
| 76 | E | 97 | Very high | 96.8 | Very high | 107 Ų | 107 | 95.2 Ų | 95.2 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 176.3 | -73.4 | -175 | 167.5 | 0 | 0 | 112 | L72 Q74 T80 | L72-E76 HydrophobicContact CD1-CG 4.42Å; L72-E76 WeakPolarHBondContact O-CG 3.31Å; L72-E76 PolarHBondContact O-N 3.46Å; Q74-E76 VanDerWaalsContact C-N 3.33Å; Q74-E76 PolarHBondContact O-N 2.96Å; E76-T80 WeakPolarHBondContact O-CB 3.42Å; E76-T80 PolarHBondContact O-N 3.02Å; E76-T80 PolarHBondContact O-OG1 3.42Å |
| 77 | S | 97 | Very high | 96.6 | Very high | 66 Ų | 66 | 96.4 Ų | 96.4 | 46% | 0.462 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 173.9 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | D73 Q74 V75 L79 T80 N81 | D73-S77 WeakPolarHBondContact O-CB 3.37Å; D73-S77 PolarHBondContact O-N 3.43Å; D73-S77 VanDerWaalsContact O-N 3.09Å; Q74-S77 WeakPolarHBondContact O-CB 3.2Å; Q74-S77 PolarHBondContact O-N 3.41Å; V75-S77 VanDerWaalsContact C-N 3.33Å; V75-S77 PolarHBondContact O-N 2.87Å; S77-L79 PolarHBondContact O-N 2.66Å; S77-T80 PolarHBondContact O-N 3.42Å; S77-N81 PolarHBondContact O-N 2.84Å; S77-N81 PolarHBondContact O-ND2 2.88Å; S77-N81 VanDerWaalsContact O-ND2 3.13Å |
| 78 | E | 96.5 | Very high | 96.5 | Very high | 135 Ų | 135 | 97.4 Ų | 97.4 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.2 | -43.1 | 177.3 | -73.6 | -178.9 | -179.6 | 0 | 0 | 112.4 | Q74 V75 N81 L82 | Q74-E78 WeakPolarHBondContact O-CG 3.32Å; Q74-E78 PolarHBondContact O-N 2.91Å; V75-E78 PolarHBondContact O-N 2.94Å; E78-N81 PolarHBondContact O-N 3.4Å; E78-L82 WeakPolarHBondContact O-CB 3.36Å; E78-L82 PolarHBondContact O-N 2.96Å |
| 79 | L | 97.1 | Very high | 96.2 | Very high | 98 Ų | 98 | 98.3 Ų | 98.3 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 177.4 | -178.5 | 62.1 | 0 | 0 | 0 | 111.3 | V75 S77 N81 L82 I83 | V75-L79 VanDerWaalsContact O-CB 3.31Å; V75-L79 WeakPolarHBondContact O-CB 3.48Å; V75-L79 PolarHBondContact O-N 3.28Å; S77-L79 PolarHBondContact O-N 2.66Å; L79-N81 VanDerWaalsContact C-N 3.34Å; L79-N81 PolarHBondContact O-N 3.05Å; L79-L82 PolarHBondContact O-N 3.3Å; L79-I83 HydrophobicContact CD1-CD1 4.46Å; L79-I83 HydrophobicContact CG-CD1 4.13Å; L79-I83 WeakPolarHBondContact O-CG1 3.4Å; L79-I83 PolarHBondContact O-N 3.49Å |
| 80 | T | 96.7 | Very high | 95.8 | Very high | 82 Ų | 82 | 99.9 Ų | 99.9 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 176.2 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | E76 S77 L82 I83 V84 | E76-T80 WeakPolarHBondContact O-CB 3.42Å; E76-T80 PolarHBondContact O-N 3.02Å; E76-T80 PolarHBondContact O-OG1 3.42Å; S77-T80 PolarHBondContact O-N 3.42Å; T80-L82 VanDerWaalsContact C-N 3.32Å; T80-L82 PolarHBondContact O-N 3.49Å; T80-I83 PolarHBondContact O-N 3.2Å; T80-V84 WeakPolarHBondContact O-CG2 3.42Å; T80-V84 PolarHBondContact O-N 3.36Å; T80-V84 VanDerWaalsContact O-N 3.07Å |
| 81 | N | 96.4 | Very high | 95.5 | Very high | 101 Ų | 101 | 96.7 Ų | 96.7 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 176.6 | -69.8 | -35.6 | 0 | 0 | 0 | 112.2 | S77 E78 L79 V84 A85 | S77-N81 PolarHBondContact O-N 2.84Å; S77-N81 PolarHBondContact O-ND2 2.88Å; S77-N81 VanDerWaalsContact O-ND2 3.13Å; E78-N81 PolarHBondContact O-N 3.4Å; L79-N81 VanDerWaalsContact C-N 3.34Å; L79-N81 PolarHBondContact O-N 3.05Å; N81-V84 PolarHBondContact O-N 3.35Å; N81-A85 WeakPolarHBondContact O-CB 3.32Å; N81-A85 PolarHBondContact O-N 2.83Å |
| 82 | L | 96.1 | Very high | 95.2 | Very high | 112 Ų | 112 | 92.1 Ų | 92.1 | 59% | 0.586 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.5 | -42 | 177.2 | -170.3 | 152.4 | 0 | 0 | 0 | 111.7 | E78 L79 T80 A85 A86 | E78-L82 WeakPolarHBondContact O-CB 3.36Å; E78-L82 PolarHBondContact O-N 2.96Å; L79-L82 PolarHBondContact O-N 3.3Å; T80-L82 VanDerWaalsContact C-N 3.32Å; T80-L82 PolarHBondContact O-N 3.49Å; L82-A85 PolarHBondContact O-N 3.06Å; L82-A86 WeakPolarHBondContact O-CB 3.35Å; L82-A86 PolarHBondContact O-N 3.26Å |
| 83 | I | 95.6 | Very high | 94.6 | Very high | 81 Ų | 81 | 93.5 Ų | 93.5 | 42% | 0.415 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 175.6 | -69.9 | 165.2 | 0 | 0 | 0 | 110 | L79 T80 A85 A86 E87 | L79-I83 HydrophobicContact CD1-CD1 4.46Å; L79-I83 HydrophobicContact CG-CD1 4.13Å; L79-I83 WeakPolarHBondContact O-CG1 3.4Å; L79-I83 PolarHBondContact O-N 3.49Å; T80-I83 PolarHBondContact O-N 3.2Å; I83-A85 VanDerWaalsContact C-N 3.32Å; I83-A85 PolarHBondContact O-N 3.18Å; I83-A86 PolarHBondContact O-N 2.84Å; I83-A86 VanDerWaalsContact O-N 3.15Å; I83-E87 HydrophobicContact CG2-CG 4.47Å; I83-E87 WeakPolarHBondContact O-CG 3.36Å; I83-E87 PolarHBondContact O-N 3.42Å |
| 84 | V | 95.2 | Very high | 94 | Very high | 69 Ų | 69 | 93.3 Ų | 93.3 | 42% | 0.418 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 178.3 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | T80 N81 E87 N88 | T80-V84 WeakPolarHBondContact O-CG2 3.42Å; T80-V84 PolarHBondContact O-N 3.36Å; T80-V84 VanDerWaalsContact O-N 3.07Å; N81-V84 PolarHBondContact O-N 3.35Å; V84-E87 PolarHBondContact O-N 2.84Å; V84-N88 WeakPolarHBondContact O-CB 3.42Å; V84-N88 VanDerWaalsContact O-CG 3.25Å; V84-N88 PolarHBondContact O-N 2.96Å; V84-N88 PolarHBondContact O-ND2 3.33Å; V84-N88 VanDerWaalsContact O-ND2 3.15Å |
| 85 | A | 94.5 | Very high | 93.5 | Very high | 58 Ų | 58 | 96 Ų | 96 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N81 L82 I83 N88 L89 | N81-A85 WeakPolarHBondContact O-CB 3.32Å; N81-A85 PolarHBondContact O-N 2.83Å; L82-A85 PolarHBondContact O-N 3.06Å; I83-A85 VanDerWaalsContact C-N 3.32Å; I83-A85 PolarHBondContact O-N 3.18Å; A85-N88 PolarHBondContact O-N 3.34Å; A85-L89 WeakPolarHBondContact O-CB 3.44Å; A85-L89 PolarHBondContact O-N 3.49Å |
| 86 | A | 93.6 | Very high | 93 | Very high | 52 Ų | 52 | 99 Ų | 99 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L82 I83 L89 Y90 | L82-A86 WeakPolarHBondContact O-CB 3.35Å; L82-A86 PolarHBondContact O-N 3.26Å; I83-A86 PolarHBondContact O-N 2.84Å; I83-A86 VanDerWaalsContact O-N 3.15Å; A86-L89 PolarHBondContact O-N 2.88Å; A86-Y90 WeakPolarHBondContact O-CB 3.39Å; A86-Y90 PolarHBondContact O-N 3Å |
| 87 | E | 94 | Very high | 92.5 | Very high | 124 Ų | 124 | 96 Ų | 96 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 175.2 | -73.3 | 179 | 166.4 | 0 | 0 | 111.5 | I83 V84 Y90 A91 | I83-E87 HydrophobicContact CG2-CG 4.47Å; I83-E87 WeakPolarHBondContact O-CG 3.36Å; I83-E87 PolarHBondContact O-N 3.42Å; V84-E87 PolarHBondContact O-N 2.84Å; E87-Y90 PolarHBondContact O-N 2.95Å; E87-A91 WeakPolarHBondContact O-CB 3.23Å; E87-A91 PolarHBondContact O-N 3.33Å |
| 88 | N | 94.6 | Very high | 92 | Very high | 98 Ų | 98 | 94 Ų | 94 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 176 | -74.4 | -30.3 | 0 | 0 | 0 | 112.4 | V84 A85 A91 S92 | V84-N88 WeakPolarHBondContact O-CB 3.42Å; V84-N88 VanDerWaalsContact O-CG 3.25Å; V84-N88 PolarHBondContact O-N 2.96Å; V84-N88 PolarHBondContact O-ND2 3.33Å; V84-N88 VanDerWaalsContact O-ND2 3.15Å; A85-N88 PolarHBondContact O-N 3.34Å; N88-A91 PolarHBondContact O-N 3.05Å; N88-S92 WeakPolarHBondContact O-CB 3.38Å; N88-S92 PolarHBondContact O-N 3.07Å; N88-S92 PolarHBondContact O-OG 3.08Å |
| 89 | L | 92.8 | Very high | 91.6 | Very high | 126 Ų | 126 | 91.7 Ų | 91.7 | 66% | 0.66 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.1 | -43.3 | 175.5 | -177.3 | 64.5 | 0 | 0 | 0 | 111 | A85 A86 S92 Y93 | A85-L89 WeakPolarHBondContact O-CB 3.44Å; A85-L89 PolarHBondContact O-N 3.49Å; A86-L89 PolarHBondContact O-N 2.88Å; L89-S92 PolarHBondContact O-N 3.27Å; L89-Y93 WeakPolarHBondContact O-CB 3.43Å; L89-Y93 PolarHBondContact O-N 2.95Å |
| 90 | Y | 89.3 | Confident | 91.1 | Very high | 149 Ų | 149 | 90.9 Ų | 90.9 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 177.2 | -177.8 | -98.5 | 0 | 0 | 0 | 112 | A86 E87 S92 Y93 M94 | A86-Y90 WeakPolarHBondContact O-CB 3.39Å; A86-Y90 PolarHBondContact O-N 3Å; E87-Y90 PolarHBondContact O-N 2.95Å; Y90-S92 VanDerWaalsContact C-N 3.31Å; Y90-S92 PolarHBondContact O-N 2.89Å; Y90-Y93 WeakPolarHBondContact O-CB 3.34Å; Y90-Y93 PolarHBondContact O-N 3.47Å; Y90-M94 HydrophobicContact CD1-CG 4.19Å; Y90-M94 HydrophobicContact CE1-CG 3.73Å; Y90-M94 HydrophobicContact CE2-CG 4.3Å; Y90-M94 WeakPolarHBondContact O-CG 3.32Å; Y90-M94 PolarHBondContact O-N 2.9Å |
| 91 | A | 90.9 | Very high | 90.6 | Very high | 46 Ų | 46 | 91.2 Ų | 91.2 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E87 N88 M94 Q95 | E87-A91 WeakPolarHBondContact O-CB 3.23Å; E87-A91 PolarHBondContact O-N 3.33Å; N88-A91 PolarHBondContact O-N 3.05Å; A91-M94 PolarHBondContact O-N 3.35Å; A91-Q95 WeakPolarHBondContact O-CG 3.46Å; A91-Q95 PolarHBondContact O-N 3.13Å |
| 92 | S | 90.8 | Very high | 90.1 | Very high | 65 Ų | 65 | 88.8 Ų | 88.8 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | N88 L89 Y90 Q95 M96 | N88-S92 WeakPolarHBondContact O-CB 3.38Å; N88-S92 PolarHBondContact O-N 3.07Å; N88-S92 PolarHBondContact O-OG 3.08Å; L89-S92 PolarHBondContact O-N 3.27Å; Y90-S92 VanDerWaalsContact C-N 3.31Å; Y90-S92 PolarHBondContact O-N 2.89Å; S92-Q95 PolarHBondContact O-N 2.96Å; S92-M96 PolarHBondContact O-N 3.03Å |
| 93 | Y | 85.6 | Confident | 89.7 | Confident | 125 Ų | 125 | 89.5 Ų | 89.5 | 49% | 0.49 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 174 | 174.9 | -96 | 0 | 0 | 0 | 111.6 | L89 Y90 Q95 M96 M97 | L89-Y93 WeakPolarHBondContact O-CB 3.43Å; L89-Y93 PolarHBondContact O-N 2.95Å; Y90-Y93 WeakPolarHBondContact O-CB 3.34Å; Y90-Y93 PolarHBondContact O-N 3.47Å; Y93-Q95 PolarHBondContact O-N 2.97Å; Y93-M96 PolarHBondContact O-N 2.92Å; Y93-M97 HydrophobicContact CD2-CG 3.86Å; Y93-M97 HydrophobicContact CE1-CB 4.3Å; Y93-M97 HydrophobicContact CE1-CG 4.25Å; Y93-M97 HydrophobicContact CE2-CB 4.36Å; Y93-M97 HydrophobicContact CE2-CG 3.46Å; Y93-M97 VanDerWaalsContact CE2-CG 3.46Å; Y93-M97 HydrophobicContact CG-CG 4.42Å; Y93-M97 WeakPolarHBondContact O-CB 3.4Å; Y93-M97 PolarHBondContact O-N 3.19Å |
| 94 | M | 84.9 | Confident | 89.4 | Confident | 81 Ų | 81 | 91.7 Ų | 91.7 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.5 | -34.6 | 178.2 | -72.4 | -60.9 | -69.7 | 0 | 0 | 112.9 | Y90 A91 M96 G98 | Y90-M94 HydrophobicContact CD1-CG 4.19Å; Y90-M94 HydrophobicContact CE1-CG 3.73Å; Y90-M94 HydrophobicContact CE2-CG 4.3Å; Y90-M94 WeakPolarHBondContact O-CG 3.32Å; Y90-M94 PolarHBondContact O-N 2.9Å; A91-M94 PolarHBondContact O-N 3.35Å; M94-M96 VanDerWaalsContact C-N 3.34Å; M94-G98 WeakPolarHBondContact O-CA 3.42Å; M94-G98 PolarHBondContact O-N 3.41Å |
| 95 | Q | 88 | Confident | 89 | Confident | 156 Ų | 156 | 96.6 Ų | 96.6 | 73% | 0.729 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.2 | -38.8 | 172.9 | -74.6 | 179.3 | 2.4 | 0 | 0 | 112.1 | A91 S92 Y93 P99 | A91-Q95 WeakPolarHBondContact O-CG 3.46Å; A91-Q95 PolarHBondContact O-N 3.13Å; S92-Q95 PolarHBondContact O-N 2.96Å; Y93-Q95 PolarHBondContact O-N 2.97Å; Q95-P99 WeakPolarHBondContact O-CD 3.39Å |
| 96 | M | 85.7 | Confident | 88.8 | Confident | 147 Ų | 147 | 99.8 Ų | 99.8 | 72% | 0.724 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -76 | -48.6 | -179.5 | -172.7 | -175.4 | -60.3 | 0 | 0 | 112.5 | S92 Y93 M94 | S92-M96 PolarHBondContact O-N 3.03Å; Y93-M96 PolarHBondContact O-N 2.92Å; M94-M96 VanDerWaalsContact C-N 3.34Å |
| 97 | M | 88 | Confident | 88.5 | Confident | 45 Ų | 45 | 100.6 Ų | 100.6 | 22% | 0.222 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -91.1 | -18.3 | -173.1 | -63.3 | -60.9 | -64.2 | 0 | 0 | 113.2 | Y93 E100 I101 | Y93-M97 HydrophobicContact CD2-CG 3.86Å; Y93-M97 HydrophobicContact CE1-CB 4.3Å; Y93-M97 HydrophobicContact CE1-CG 4.25Å; Y93-M97 HydrophobicContact CE2-CB 4.36Å; Y93-M97 HydrophobicContact CE2-CG 3.46Å; Y93-M97 VanDerWaalsContact CE2-CG 3.46Å; Y93-M97 HydrophobicContact CG-CG 4.42Å; Y93-M97 WeakPolarHBondContact O-CB 3.4Å; Y93-M97 PolarHBondContact O-N 3.19Å; M97-E100 WeakPolarHBondContact CE-OE2 3.46Å; M97-E100 PolarHBondContact O-N 2.94Å; M97-E100 VanDerWaalsContact O-N 3.09Å; M97-I101 HydrophobicContact CB-CD1 4.15Å; M97-I101 VanDerWaalsContact O-CG1 3.29Å; M97-I101 WeakPolarHBondContact O-CG1 3.33Å; M97-I101 PolarHBondContact O-N 3.15Å |
| 98 | G | 85.4 | Confident | 88.4 | Confident | 23 Ų | 23 | 97.7 Ų | 97.7 | 24% | 0.237 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -52.1 | -48.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M94 E100 I101 A102 | M94-G98 WeakPolarHBondContact O-CA 3.42Å; M94-G98 PolarHBondContact O-N 3.41Å; G98-E100 PolarHBondContact O-N 2.86Å; G98-I101 PolarHBondContact O-N 3.44Å; G98-A102 WeakPolarHBondContact O-CB 3.4Å; G98-A102 PolarHBondContact O-N 2.93Å |
| 99 | P | 87.6 | Confident | 88.3 | Confident | 87 Ų | 87 | 97.5 Ų | 97.5 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.4 | -40.5 | 175.1 | -25 | 35 | 0 | 0 | 0 | 113.6 | Q95 A102 F103 | Q95-P99 WeakPolarHBondContact O-CD 3.39Å; P99-A102 PolarHBondContact O-N 3.44Å; P99-F103 WeakPolarHBondContact O-CB 3.4Å; P99-F103 PolarHBondContact O-N 3.26Å |
| 100 | E | 88.3 | Confident | 88.2 | Confident | 81 Ų | 81 | 96.5 Ų | 96.5 | 38% | 0.379 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 177.5 | -171.2 | -171.5 | 151.3 | 0 | 0 | 111.4 | M97 G98 A102 F103 K104 | M97-E100 WeakPolarHBondContact CE-OE2 3.46Å; M97-E100 PolarHBondContact O-N 2.94Å; M97-E100 VanDerWaalsContact O-N 3.09Å; G98-E100 PolarHBondContact O-N 2.86Å; E100-A102 VanDerWaalsContact C-N 3.33Å; E100-A102 PolarHBondContact O-N 3.37Å; E100-F103 PolarHBondContact O-N 3.47Å; E100-K104 WeakPolarHBondContact O-CG 3.23Å; E100-K104 PolarHBondContact O-N 2.97Å; E100-K104 WeakPolarHBondContact OE1-CE 3.39Å; E100-K104 IonicContact OE1-NZ 2.66Å; E100-K104 PolarHBondContact OE1-NZ 3.31Å |
| 101 | I | 86.1 | Confident | 88.3 | Confident | 90 Ų | 90 | 97 Ų | 97 | 46% | 0.462 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 175.7 | -66.9 | 166.2 | 0 | 0 | 0 | 110 | M97 G98 R105 | M97-I101 HydrophobicContact CB-CD1 4.15Å; M97-I101 VanDerWaalsContact O-CG1 3.29Å; M97-I101 WeakPolarHBondContact O-CG1 3.33Å; M97-I101 PolarHBondContact O-N 3.15Å; G98-I101 PolarHBondContact O-N 3.44Å; I101-R105 PolarHBondContact O-N 3.3Å; I101-R105 VanDerWaalsContact O-N 3.11Å |
| 102 | A | 86 | Confident | 88.4 | Confident | 49 Ų | 49 | 98.8 Ų | 98.8 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G98 P99 E100 R105 Q106 | G98-A102 WeakPolarHBondContact O-CB 3.4Å; G98-A102 PolarHBondContact O-N 2.93Å; P99-A102 PolarHBondContact O-N 3.44Å; E100-A102 VanDerWaalsContact C-N 3.33Å; E100-A102 PolarHBondContact O-N 3.37Å; A102-R105 WeakPolarHBondContact O-CB 3.31Å; A102-R105 PolarHBondContact O-N 3.41Å; A102-Q106 WeakPolarHBondContact O-CG 3.43Å; A102-Q106 PolarHBondContact O-N 2.94Å |
| 103 | F | 86.2 | Confident | 88.5 | Confident | 127 Ų | 127 | 100.6 Ų | 100.6 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -46.6 | 177.2 | 177.5 | -103.3 | 0 | 0 | 0 | 112.1 | P99 E100 R105 Q106 V107 | P99-F103 WeakPolarHBondContact O-CB 3.4Å; P99-F103 PolarHBondContact O-N 3.26Å; E100-F103 PolarHBondContact O-N 3.47Å; F103-R105 PolarHBondContact O-N 2.84Å; F103-Q106 PolarHBondContact O-N 3.26Å; F103-Q106 VanDerWaalsContact O-N 3.1Å; F103-V107 HydrophobicContact CD1-CG2 4.13Å; F103-V107 HydrophobicContact CD2-CG2 4.33Å; F103-V107 HydrophobicContact CE1-CG2 3.63Å; F103-V107 HydrophobicContact CE2-CG2 3.86Å; F103-V107 HydrophobicContact CG-CG2 4.46Å; F103-V107 HydrophobicContact CZ-CG2 3.48Å; F103-V107 VanDerWaalsContact CZ-CG2 3.48Å; F103-V107 WeakPolarHBondContact O-CG2 3.39Å; F103-V107 PolarHBondContact O-N 3.36Å |
| 104 | K | 89.2 | Confident | 88.8 | Confident | 127 Ų | 127 | 98 Ų | 98 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56 | -39.6 | 175.1 | -78.1 | -179.8 | -176.1 | 167.8 | 0 | 111.6 | E100 V107 S108 | E100-K104 WeakPolarHBondContact O-CG 3.23Å; E100-K104 PolarHBondContact O-N 2.97Å; E100-K104 WeakPolarHBondContact OE1-CE 3.39Å; E100-K104 IonicContact OE1-NZ 2.66Å; E100-K104 PolarHBondContact OE1-NZ 3.31Å; K104-V107 PolarHBondContact O-N 2.91Å; K104-S108 PolarHBondContact O-N 3.4Å |
| 105 | R | 87.7 | Confident | 89.1 | Confident | 173 Ų | 173 | 95.8 Ų | 95.8 | 65% | 0.653 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.8 | -47.1 | 175 | -173.4 | 178.3 | 177.5 | 153.2 | 4.4 | 112.1 | I101 A102 F103 V107 S108 E109 | I101-R105 PolarHBondContact O-N 3.3Å; I101-R105 VanDerWaalsContact O-N 3.11Å; A102-R105 WeakPolarHBondContact O-CB 3.31Å; A102-R105 PolarHBondContact O-N 3.41Å; F103-R105 PolarHBondContact O-N 2.84Å; R105-V107 VanDerWaalsContact C-N 3.34Å; R105-V107 PolarHBondContact O-N 3.4Å; R105-S108 WeakPolarHBondContact O-CB 3.49Å; R105-S108 PolarHBondContact O-N 3.37Å; R105-E109 WeakPolarHBondContact CG-OE1 3.44Å; R105-E109 IonicContact NE-OE1 3.22Å; R105-E109 PolarHBondContact NE-OE1 3.47Å; R105-E109 WeakPolarHBondContact O-CG 3.44Å; R105-E109 PolarHBondContact O-N 3.01Å |
| 106 | Q | 89.3 | Confident | 89.3 | Confident | 124 Ų | 124 | 92.6 Ų | 92.6 | 58% | 0.579 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.3 | -40.2 | 176.6 | -72.7 | 177.6 | -2.1 | 0 | 0 | 112.7 | A102 F103 E109 L110 | A102-Q106 WeakPolarHBondContact O-CG 3.43Å; A102-Q106 PolarHBondContact O-N 2.94Å; F103-Q106 PolarHBondContact O-N 3.26Å; F103-Q106 VanDerWaalsContact O-N 3.1Å; Q106-E109 PolarHBondContact O-N 2.93Å; Q106-L110 WeakPolarHBondContact O-CB 3.44Å; Q106-L110 PolarHBondContact O-N 2.9Å |
| 107 | V | 89.2 | Confident | 89.6 | Confident | 69 Ų | 69 | 92.7 Ų | 92.7 | 42% | 0.418 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 111 | F103 K104 R105 L110 W111 | F103-V107 HydrophobicContact CD1-CG2 4.13Å; F103-V107 HydrophobicContact CD2-CG2 4.33Å; F103-V107 HydrophobicContact CE1-CG2 3.63Å; F103-V107 HydrophobicContact CE2-CG2 3.86Å; F103-V107 HydrophobicContact CG-CG2 4.46Å; F103-V107 HydrophobicContact CZ-CG2 3.48Å; F103-V107 VanDerWaalsContact CZ-CG2 3.48Å; F103-V107 WeakPolarHBondContact O-CG2 3.39Å; F103-V107 PolarHBondContact O-N 3.36Å; K104-V107 PolarHBondContact O-N 2.91Å; R105-V107 VanDerWaalsContact C-N 3.34Å; R105-V107 PolarHBondContact O-N 3.4Å; V107-L110 PolarHBondContact O-N 3.24Å; V107-W111 WeakPolarHBondContact O-CB 3.49Å; V107-W111 PolarHBondContact O-N 3.33Å |
| 108 | S | 91.2 | Very high | 89.6 | Confident | 64 Ų | 64 | 95 Ų | 95 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 174.3 | -166 | 0 | 0 | 0 | 0 | 111.6 | K104 R105 L110 W111 D112 | K104-S108 PolarHBondContact O-N 3.4Å; R105-S108 WeakPolarHBondContact O-CB 3.49Å; R105-S108 PolarHBondContact O-N 3.37Å; S108-L110 VanDerWaalsContact C-N 3.31Å; S108-L110 PolarHBondContact O-N 3.28Å; S108-W111 WeakPolarHBondContact O-CB 3.36Å; S108-W111 PolarHBondContact O-N 2.96Å; S108-W111 VanDerWaalsContact O-N 3.15Å; S108-D112 PolarHBondContact O-N 3.44Å |
| 109 | E | 91.5 | Very high | 89.9 | Confident | 94 Ų | 94 | 99.6 Ų | 99.6 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 177.5 | -71.7 | 170 | -171.4 | 0 | 0 | 111.5 | R105 Q106 N113 | R105-E109 WeakPolarHBondContact CG-OE1 3.44Å; R105-E109 IonicContact NE-OE1 3.22Å; R105-E109 PolarHBondContact NE-OE1 3.47Å; R105-E109 WeakPolarHBondContact O-CG 3.44Å; R105-E109 PolarHBondContact O-N 3.01Å; Q106-E109 PolarHBondContact O-N 2.93Å; E109-N113 WeakPolarHBondContact O-CB 3.38Å; E109-N113 PolarHBondContact O-N 3.04Å; E109-N113 PolarHBondContact O-ND2 3.18Å |
| 110 | L | 91.4 | Very high | 90.1 | Very high | 104 Ų | 104 | 98.5 Ų | 98.5 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 174.3 | -176.1 | 67.5 | 0 | 0 | 0 | 111.8 | Q106 V107 S108 N113 I114 | Q106-L110 WeakPolarHBondContact O-CB 3.44Å; Q106-L110 PolarHBondContact O-N 2.9Å; V107-L110 PolarHBondContact O-N 3.24Å; S108-L110 VanDerWaalsContact C-N 3.31Å; S108-L110 PolarHBondContact O-N 3.28Å; L110-N113 PolarHBondContact O-N 3.47Å; L110-I114 HydrophobicContact CG-CD1 4.04Å; L110-I114 VanDerWaalsContact O-CG1 3.28Å; L110-I114 WeakPolarHBondContact O-CG1 3.35Å; L110-I114 PolarHBondContact O-N 3.33Å |
| 111 | W | 91.8 | Very high | 90 | Very high | 160 Ų | 160 | 96.5 Ų | 96.5 | 61% | 0.606 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.6 | -46.3 | 177.7 | -179.5 | -97.5 | 0 | 0 | 0 | 111.7 | V107 S108 N113 I114 C115 | V107-W111 WeakPolarHBondContact O-CB 3.49Å; V107-W111 PolarHBondContact O-N 3.33Å; S108-W111 WeakPolarHBondContact O-CB 3.36Å; S108-W111 PolarHBondContact O-N 2.96Å; S108-W111 VanDerWaalsContact O-N 3.15Å; W111-N113 VanDerWaalsContact C-N 3.32Å; W111-N113 PolarHBondContact O-N 2.88Å; W111-I114 PolarHBondContact O-N 3.32Å; W111-I114 VanDerWaalsContact O-N 3.13Å; W111-C115 PolarHBondContact O-N 3.47Å |
| 112 | D | 93.4 | Very high | 90 | Very high | 84 Ų | 84 | 97.8 Ų | 97.8 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 176.7 | -66.8 | -23.2 | 0 | 0 | 0 | 110.8 | S108 I114 C115 D116 | S108-D112 PolarHBondContact O-N 3.44Å; D112-I114 VanDerWaalsContact C-N 3.33Å; D112-I114 PolarHBondContact O-N 3.27Å; D112-C115 WeakPolarHBondContact O-CB 3.45Å; D112-C115 PolarHBondContact O-N 3.07Å; D112-D116 PolarHBondContact O-N 3.15Å |
| 113 | N | 92.4 | Very high | 90.1 | Very high | 102 Ų | 102 | 100.8 Ų | 100.8 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 174.9 | -72.2 | -34 | 0 | 0 | 0 | 112.9 | E109 L110 W111 F117 | E109-N113 WeakPolarHBondContact O-CB 3.38Å; E109-N113 PolarHBondContact O-N 3.04Å; E109-N113 PolarHBondContact O-ND2 3.18Å; L110-N113 PolarHBondContact O-N 3.47Å; W111-N113 VanDerWaalsContact C-N 3.32Å; W111-N113 PolarHBondContact O-N 2.88Å; N113-F117 WeakPolarHBondContact O-CB 3.22Å; N113-F117 PolarHBondContact O-N 2.96Å |
| 114 | I | 90.5 | Very high | 89.9 | Confident | 72 Ų | 72 | 99.8 Ų | 99.8 | 37% | 0.369 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.1 | -43.1 | 175.9 | -71.1 | 165.9 | 0 | 0 | 0 | 110.3 | L110 W111 D112 F117 M118 | L110-I114 HydrophobicContact CG-CD1 4.04Å; L110-I114 VanDerWaalsContact O-CG1 3.28Å; L110-I114 WeakPolarHBondContact O-CG1 3.35Å; L110-I114 PolarHBondContact O-N 3.33Å; W111-I114 PolarHBondContact O-N 3.32Å; W111-I114 VanDerWaalsContact O-N 3.13Å; D112-I114 VanDerWaalsContact C-N 3.33Å; D112-I114 PolarHBondContact O-N 3.27Å; I114-F117 PolarHBondContact O-N 2.98Å; I114-M118 HydrophobicContact CG2-CE 4.15Å; I114-M118 HydrophobicContact CG2-CG 4.47Å; I114-M118 HydrophobicContact CG2-SD 4.48Å; I114-M118 WeakPolarHBondContact O-CG 3.48Å; I114-M118 PolarHBondContact O-N 3.45Å |
| 115 | C | 91.3 | Very high | 89.6 | Confident | 33 Ų | 33 | 97.8 Ų | 97.8 | 22% | 0.223 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 175.1 | -77.8 | 0 | 0 | 0 | 0 | 111.8 | W111 D112 F117 M118 Q119 | W111-C115 PolarHBondContact O-N 3.47Å; D112-C115 WeakPolarHBondContact O-CB 3.45Å; D112-C115 PolarHBondContact O-N 3.07Å; C115-F117 PolarHBondContact O-N 2.91Å; C115-M118 PolarHBondContact O-N 3.45Å; C115-Q119 WeakPolarHBondContact O-CG 3.47Å; C115-Q119 PolarHBondContact O-N 2.86Å |
| 116 | D | 92.7 | Very high | 89.6 | Confident | 89 Ų | 89 | 93.4 Ų | 93.4 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 177.3 | -74 | -10.3 | 0 | 0 | 0 | 111.9 | D112 Q119 S120 | D112-D116 PolarHBondContact O-N 3.15Å; D116-Q119 PolarHBondContact O-N 3.34Å; D116-S120 WeakPolarHBondContact O-CB 3.4Å; D116-S120 PolarHBondContact O-N 3.34Å; D116-S120 PolarHBondContact O-OG 2.85Å |
| 117 | F | 91.5 | Very high | 89.3 | Confident | 150 Ų | 150 | 92.2 Ų | 92.2 | 66% | 0.658 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.5 | -47.1 | 174.9 | 177.5 | -99.6 | 0 | 0 | 0 | 111.7 | N113 I114 C115 Q119 S120 A121 | N113-F117 WeakPolarHBondContact O-CB 3.22Å; N113-F117 PolarHBondContact O-N 2.96Å; I114-F117 PolarHBondContact O-N 2.98Å; C115-F117 PolarHBondContact O-N 2.91Å; F117-Q119 PolarHBondContact O-N 3.39Å; F117-S120 PolarHBondContact O-N 3Å; F117-A121 WeakPolarHBondContact O-CB 3.26Å; F117-A121 PolarHBondContact O-N 3.47Å |
| 118 | M | 89 | Confident | 88.8 | Confident | 92 Ų | 92 | 93.7 Ų | 93.7 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 178 | -73.3 | -167.8 | -58.5 | 0 | 0 | 112.1 | I114 C115 S120 A121 L122 | I114-M118 HydrophobicContact CG2-CE 4.15Å; I114-M118 HydrophobicContact CG2-CG 4.47Å; I114-M118 HydrophobicContact CG2-SD 4.48Å; I114-M118 WeakPolarHBondContact O-CG 3.48Å; I114-M118 PolarHBondContact O-N 3.45Å; C115-M118 PolarHBondContact O-N 3.45Å; M118-S120 VanDerWaalsContact C-N 3.34Å; M118-S120 PolarHBondContact O-N 3.39Å; M118-A121 PolarHBondContact O-N 3.31Å; M118-L122 WeakPolarHBondContact O-CB 3.49Å; M118-L122 WeakPolarHBondContact O-CG 3.3Å; M118-L122 PolarHBondContact O-N 3.15Å |
| 119 | Q | 92.4 | Very high | 88.3 | Confident | 120 Ų | 120 | 95.5 Ų | 95.5 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | 175.2 | -75.6 | -179.7 | 5 | 0 | 0 | 111.6 | C115 D116 F117 L122 L123 | C115-Q119 WeakPolarHBondContact O-CG 3.47Å; C115-Q119 PolarHBondContact O-N 2.86Å; D116-Q119 PolarHBondContact O-N 3.34Å; F117-Q119 PolarHBondContact O-N 3.39Å; Q119-L122 PolarHBondContact O-N 2.95Å; Q119-L123 WeakPolarHBondContact O-CG 3.24Å; Q119-L123 PolarHBondContact O-N 2.93Å |
| 120 | S | 91.2 | Very high | 87.7 | Confident | 65 Ų | 65 | 95.1 Ų | 95.1 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 177.8 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | D116 F117 M118 L123 L124 | D116-S120 WeakPolarHBondContact O-CB 3.4Å; D116-S120 PolarHBondContact O-N 3.34Å; D116-S120 PolarHBondContact O-OG 2.85Å; F117-S120 PolarHBondContact O-N 3Å; M118-S120 VanDerWaalsContact C-N 3.34Å; M118-S120 PolarHBondContact O-N 3.39Å; S120-L123 PolarHBondContact O-N 3.45Å; S120-L124 PolarHBondContact O-N 3.41Å; S120-L124 VanDerWaalsContact O-N 3.09Å |
| 121 | A | 85.5 | Confident | 87 | Confident | 39 Ų | 39 | 96.3 Ų | 96.3 | 32% | 0.322 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F117 M118 L124 V125 | F117-A121 WeakPolarHBondContact O-CB 3.26Å; F117-A121 PolarHBondContact O-N 3.47Å; M118-A121 PolarHBondContact O-N 3.31Å; A121-L124 PolarHBondContact O-N 2.98Å; A121-V125 WeakPolarHBondContact O-CG2 3.47Å; A121-V125 PolarHBondContact O-N 3.08Å; A121-V125 VanDerWaalsContact O-N 3.07Å |
| 122 | L | 87.5 | Confident | 85.7 | Confident | 117 Ų | 117 | 96.3 Ų | 96.3 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.4 | -44.4 | 174.5 | -83.7 | 160 | 0 | 0 | 0 | 111.7 | M118 Q119 L124 V125 V126 | M118-L122 WeakPolarHBondContact O-CB 3.49Å; M118-L122 WeakPolarHBondContact O-CG 3.3Å; M118-L122 PolarHBondContact O-N 3.15Å; Q119-L122 PolarHBondContact O-N 2.95Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L122-L124 PolarHBondContact O-N 3.32Å; L122-V125 PolarHBondContact O-N 3.02Å; L122-V126 WeakPolarHBondContact O-CG2 3.11Å; L122-V126 PolarHBondContact O-N 3.18Å |
| 123 | L | 87.1 | Confident | 83.9 | Confident | 112 Ų | 112 | 100.6 Ų | 100.6 | 59% | 0.586 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.4 | -42.2 | 176 | -76.9 | 165.5 | 0 | 0 | 0 | 112.3 | Q119 S120 V126 L127 | Q119-L123 WeakPolarHBondContact O-CG 3.24Å; Q119-L123 PolarHBondContact O-N 2.93Å; S120-L123 PolarHBondContact O-N 3.45Å; L123-V126 PolarHBondContact O-N 3.22Å; L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 WeakPolarHBondContact O-CD1 3.31Å; L123-L127 WeakPolarHBondContact O-CG 3.45Å; L123-L127 PolarHBondContact O-N 3.44Å |
| 124 | L | 82.5 | Confident | 83.4 | Confident | 106 Ų | 106 | 100.5 Ų | 100.5 | 56% | 0.555 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63 | -41.5 | 176.2 | -78.7 | 165.6 | 0 | 0 | 0 | 112.6 | S120 A121 L122 L127 N128 | S120-L124 PolarHBondContact O-N 3.41Å; S120-L124 VanDerWaalsContact O-N 3.09Å; A121-L124 PolarHBondContact O-N 2.98Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L122-L124 PolarHBondContact O-N 3.32Å; L124-L127 PolarHBondContact O-N 2.66Å; L124-N128 WeakPolarHBondContact O-CB 3.39Å; L124-N128 PolarHBondContact O-N 3.01Å; L124-N128 PolarHBondContact O-ND2 3.14Å |
| 125 | V | 82.6 | Confident | 83.1 | Confident | 84 Ų | 84 | 102 Ų | 102 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.9 | -45.3 | 176.1 | 173 | 0 | 0 | 0 | 0 | 110.7 | A121 L122 N128 I129 | A121-V125 WeakPolarHBondContact O-CG2 3.47Å; A121-V125 PolarHBondContact O-N 3.08Å; A121-V125 VanDerWaalsContact O-N 3.07Å; L122-V125 PolarHBondContact O-N 3.02Å; V125-N128 PolarHBondContact O-N 2.94Å; V125-I129 HydrophobicContact CG1-CD1 3.94Å; V125-I129 WeakPolarHBondContact O-CG1 3.48Å; V125-I129 PolarHBondContact O-N 3.38Å |
| 126 | V | 87.3 | Confident | 82.6 | Confident | 81 Ų | 81 | 105.8 Ų | 105.8 | 49% | 0.491 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.8 | -45.9 | 177 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | L122 L123 N128 I129 C130 | L122-V126 WeakPolarHBondContact O-CG2 3.11Å; L122-V126 PolarHBondContact O-N 3.18Å; L123-V126 PolarHBondContact O-N 3.22Å; V126-N128 VanDerWaalsContact C-N 3.35Å; V126-N128 PolarHBondContact O-N 3.43Å; V126-I129 PolarHBondContact O-N 2.9Å; V126-C130 PolarHBondContact O-N 3.41Å; V126-C130 PolarHBondContact O-SG 3.41Å; V126-C130 VanDerWaalsContact O-SG 3.33Å |
| 127 | L | 84.3 | Confident | 82 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 52% | 0.524 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -57.6 | -45.8 | 175.6 | -85.5 | 156.6 | 0 | 0 | 0 | 112 | L123 L124 I129 C130 I131 | L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 WeakPolarHBondContact O-CD1 3.31Å; L123-L127 WeakPolarHBondContact O-CG 3.45Å; L123-L127 PolarHBondContact O-N 3.44Å; L124-L127 PolarHBondContact O-N 2.66Å; L127-I129 PolarHBondContact O-N 3.25Å; L127-C130 PolarHBondContact O-N 2.94Å; L127-I131 WeakPolarHBondContact O-CD1 3.42Å; L127-I131 VanDerWaalsContact O-CG1 3.24Å; L127-I131 WeakPolarHBondContact O-CG1 3.44Å; L127-I131 PolarHBondContact O-N 3.45Å |
| 128 | N | 77.4 | Confident | 81.4 | Confident | 99 Ų | 99 | 104.1 Ų | 104.1 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.1 | -38.8 | 178.6 | -77.2 | -23.4 | 0 | 0 | 0 | 112.5 | L124 V125 V126 I131 L132 | L124-N128 WeakPolarHBondContact O-CB 3.39Å; L124-N128 PolarHBondContact O-N 3.01Å; L124-N128 PolarHBondContact O-ND2 3.14Å; V125-N128 PolarHBondContact O-N 2.94Å; V126-N128 VanDerWaalsContact C-N 3.35Å; V126-N128 PolarHBondContact O-N 3.43Å; N128-I131 PolarHBondContact O-N 3.07Å; N128-L132 PolarHBondContact O-N 3.21Å; N128-L132 VanDerWaalsContact O-N 3.11Å |
| 129 | I | 81.2 | Confident | 80.9 | Confident | 102 Ų | 102 | 104.9 Ų | 104.9 | 52% | 0.523 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.6 | -44.6 | 175.1 | -66.6 | 167.1 | 0 | 0 | 0 | 110.5 | V125 V126 L127 I131 L132 V133 | V125-I129 HydrophobicContact CG1-CD1 3.94Å; V125-I129 WeakPolarHBondContact O-CG1 3.48Å; V125-I129 PolarHBondContact O-N 3.38Å; V126-I129 PolarHBondContact O-N 2.9Å; L127-I129 PolarHBondContact O-N 3.25Å; I129-I131 PolarHBondContact O-N 2.99Å; I129-L132 PolarHBondContact O-N 3.08Å; I129-L132 VanDerWaalsContact O-N 3.11Å; I129-V133 HydrophobicContact CG2-CG2 4.45Å; I129-V133 WeakPolarHBondContact O-CG2 3.34Å; I129-V133 PolarHBondContact O-N 2.94Å |
| 130 | C | 79.8 | Confident | 80.1 | Confident | 87 Ų | 87 | 103.9 Ų | 103.9 | 59% | 0.588 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.1 | -22.9 | 177.5 | -69 | 0 | 0 | 0 | 0 | 113.8 | V126 L127 | V126-C130 PolarHBondContact O-N 3.41Å; V126-C130 PolarHBondContact O-SG 3.41Å; V126-C130 VanDerWaalsContact O-SG 3.33Å; L127-C130 PolarHBondContact O-N 2.94Å |
| 131 | I | 76.7 | Confident | 79.3 | Confident | 128 Ų | 128 | 106.8 Ų | 106.8 | 66% | 0.656 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -84 | -27 | 174 | -66.9 | 163.7 | 0 | 0 | 0 | 111.4 | L127 N128 I129 | L127-I131 WeakPolarHBondContact O-CD1 3.42Å; L127-I131 VanDerWaalsContact O-CG1 3.24Å; L127-I131 WeakPolarHBondContact O-CG1 3.44Å; L127-I131 PolarHBondContact O-N 3.45Å; N128-I131 PolarHBondContact O-N 3.07Å; I129-I131 PolarHBondContact O-N 2.99Å |
| 132 | L | 63.2 | Low | 78.7 | Confident | 161 Ų | 161 | 112.5 Ų | 112.5 | 84% | 0.843 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -84.6 | -18.4 | -178 | -126.5 | 100.1 | 0 | 0 | 0 | 114.2 | N128 I129 | N128-L132 PolarHBondContact O-N 3.21Å; N128-L132 VanDerWaalsContact O-N 3.11Å; I129-L132 PolarHBondContact O-N 3.08Å; I129-L132 VanDerWaalsContact O-N 3.11Å |
| 133 | V | 55.3 | Low | 77.9 | Confident | 173 Ų | 173 | 112.1 Ų | 112.1 | 100% | 1.048 | 62% | 0.623 | S | S | * | * | trans | -95.6 | 0 | 177.3 | 176.7 | 0 | 0 | 0 | 0 | 110 | I129 | I129-V133 HydrophobicContact CG2-CG2 4.45Å; I129-V133 WeakPolarHBondContact O-CG2 3.34Å; I129-V133 PolarHBondContact O-N 2.94Å |
Retrieved 133 of 133 residues in 24.9 ms
(Link to these results)