| 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 | 39.3 | Very low | 39.1 | Very low | 203 Ų | 203 | 119.3 Ų | 119.3 | 100% | 1 | 67% | 0.666 | S | S | * | * | 0 | -47.8 | 0 | -72.5 | 177.4 | 76.3 | 0 | 0 | 113.1 | G3 F4 L5 | M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.29Å; M1-F4 PolarHBondContact O-N 3.49Å; M1-L5 PolarHBondContact O-N 2.76Å | |||
| 2 | S | 32.7 | Very low | 39.9 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -47.1 | -47.1 | -179.2 | 44.6 | 0 | 0 | 0 | 0 | 115.2 | F4 L5 A6 | S2-F4 VanDerWaalsContact C-N 3.3Å; S2-F4 PolarHBondContact O-N 2.96Å; S2-L5 PolarHBondContact O-N 2.7Å; S2-A6 PolarHBondContact O-N 2.89Å |
| 3 | G | 36.3 | Very low | 40.7 | Very low | 55 Ų | 55 | 122.3 Ų | 122.3 | 57% | 0.567 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.9 | -30 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | M1 A6 | M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.29Å; G3-A6 PolarHBondContact O-N 3.18Å |
| 4 | F | 34.9 | Very low | 41.4 | Very low | 156 Ų | 156 | 123.9 Ų | 123.9 | 68% | 0.684 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -80.4 | -22.7 | -179.2 | -165 | -96.5 | 0 | 0 | 0 | 112.7 | M1 S2 S7 L8 | M1-F4 PolarHBondContact O-N 3.49Å; S2-F4 VanDerWaalsContact C-N 3.3Å; S2-F4 PolarHBondContact O-N 2.96Å; F4-S7 PolarHBondContact O-OG 3.5Å; F4-L8 HydrophobicContact CD1-CD1 4.29Å; F4-L8 HydrophobicContact CE1-CD1 4.26Å |
| 5 | L | 36.1 | Very low | 42.2 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 63% | 0.634 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -80.5 | -25.1 | 171.6 | -71.6 | 166.8 | 0 | 0 | 0 | 111.9 | M1 S2 S7 L8 | M1-L5 PolarHBondContact O-N 2.76Å; S2-L5 PolarHBondContact O-N 2.7Å; L5-S7 VanDerWaalsContact C-N 3.31Å; L5-S7 PolarHBondContact O-N 3.08Å; L5-L8 PolarHBondContact O-N 2.95Å |
| 6 | A | 36.4 | Very low | 43.2 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 62% | 0.62 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.1 | -26.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S2 G3 L8 | S2-A6 PolarHBondContact O-N 2.89Å; G3-A6 PolarHBondContact O-N 3.18Å; A6-L8 VanDerWaalsContact C-N 3.26Å; A6-L8 PolarHBondContact O-N 2.95Å |
| 7 | S | 39.1 | Very low | 44.1 | Very low | 89 Ų | 89 | 119.2 Ų | 119.2 | 62% | 0.622 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -0.9 | 172.2 | 43.8 | 0 | 0 | 0 | 0 | 114.5 | F4 L5 | F4-S7 PolarHBondContact O-OG 3.5Å; L5-S7 VanDerWaalsContact C-N 3.31Å; L5-S7 PolarHBondContact O-N 3.08Å |
| 8 | L | 39.1 | Very low | 45.1 | Very low | 109 Ų | 109 | 115.2 Ų | 115.2 | 57% | 0.571 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 20.2 | -175.9 | -71.4 | 169.8 | 0 | 0 | 0 | 113.3 | F4 L5 A6 P10 | F4-L8 HydrophobicContact CD1-CD1 4.29Å; F4-L8 HydrophobicContact CE1-CD1 4.26Å; L5-L8 PolarHBondContact O-N 2.95Å; A6-L8 VanDerWaalsContact C-N 3.26Å; A6-L8 PolarHBondContact O-N 2.95Å; L8-P10 WeakPolarHBondContact O-CD 3.46Å |
| 9 | D | 40.6 | Very low | 46 | Very low | 65 Ų | 65 | 118 Ų | 118 | 35% | 0.348 | 62% | 0.623 | S | S | . | * | trans | -72.7 | 110.3 | 171.4 | 179.7 | 4 | 0 | 0 | 0 | 110.9 | R11 R12 | D9-R11 PolarHBondContact O-N 2.89Å; D9-R11 WeakPolarHBondContact OD1-CB 3.14Å; D9-R11 PolarHBondContact OD1-N 3.39Å; D9-R12 PolarHBondContact O-N 3.31Å; D9-R12 VanDerWaalsContact O-N 3.17Å | ||
| 10 | P | 49 | Very low | 46.8 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 67% | 0.669 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -13.6 | -177.1 | -18.8 | 33.7 | 0 | 0 | 0 | 113.4 | L8 | L8-P10 WeakPolarHBondContact O-CD 3.46Š|
| 11 | R | 47 | Very low | 47.6 | Very low | 229 Ų | 229 | 117.2 Ų | 117.2 | 86% | 0.864 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -12.3 | -179.6 | -59.5 | 179.6 | 174.4 | -173.1 | -2.1 | 113.4 | D9 | D9-R11 PolarHBondContact O-N 2.89Å; D9-R11 WeakPolarHBondContact OD1-CB 3.14Å; D9-R11 PolarHBondContact OD1-N 3.39Å |
| 12 | R | 48.1 | Very low | 48.9 | Very low | 207 Ų | 207 | 112 Ų | 112 | 78% | 0.781 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -16.4 | 173.4 | -71.2 | -172.5 | 176.4 | -124.2 | -0.5 | 113.7 | D9 Q14 | D9-R12 PolarHBondContact O-N 3.31Å; D9-R12 VanDerWaalsContact O-N 3.17Å; R12-Q14 VanDerWaalsContact C-N 3.31Å; R12-Q14 PolarHBondContact O-N 3.3Å |
| 13 | V | 50.8 | Low | 50.5 | Low | 71 Ų | 71 | 111.4 Ų | 111.4 | 43% | 0.43 | 57% | 0.574 | S | S | . | * | trans | -75.8 | 86.8 | 171 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | W15 | V13-W15 VanDerWaalsContact C-N 3.27Å; V13-W15 HydrophobicContact CG1-CD2 4.06Å; V13-W15 HydrophobicContact CG1-CG 4.26Å; V13-W15 HydrophobicContact CG1-CZ2 4.34Å; V13-W15 PolarHBondContact O-N 3.19Å | ||
| 14 | Q | 50.5 | Low | 51.9 | Low | 144 Ų | 144 | 112 Ų | 112 | 67% | 0.673 | 57% | 0.569 | S | S | * | * | trans | -65.1 | 92.6 | 162.6 | -75 | -174.2 | -6.1 | 0 | 0 | 108.1 | R12 G16 A17 A18 | R12-Q14 VanDerWaalsContact C-N 3.31Å; R12-Q14 PolarHBondContact O-N 3.3Å; Q14-G16 PolarHBondContact O-N 3.48Å; Q14-G16 VanDerWaalsContact O-N 3.12Å; Q14-A17 HydrophobicContact CB-CB 3.79Å; Q14-A17 PolarHBondContact O-N 2.6Å; Q14-A18 PolarHBondContact O-N 3.35Å | ||
| 15 | W | 52.8 | Low | 53.6 | Low | 203 Ų | 203 | 107.5 Ų | 107.5 | 77% | 0.769 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -53.4 | -33.9 | 180 | -70.1 | 90.1 | 0 | 0 | 0 | 112.6 | V13 W19 | V13-W15 VanDerWaalsContact C-N 3.27Å; V13-W15 HydrophobicContact CG1-CD2 4.06Å; V13-W15 HydrophobicContact CG1-CG 4.26Å; V13-W15 HydrophobicContact CG1-CZ2 4.34Å; V13-W15 PolarHBondContact O-N 3.19Å; W15-W19 WeakPolarHBondContact O-CB 3.42Å; W15-W19 PolarHBondContact O-N 3.3Å |
| 16 | G | 58.9 | Low | 55.4 | Low | 41 Ų | 41 | 103.3 Ų | 103.3 | 42% | 0.423 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.9 | -52.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q14 A18 W19 Y20 | Q14-G16 PolarHBondContact O-N 3.48Å; Q14-G16 VanDerWaalsContact O-N 3.12Å; G16-A18 PolarHBondContact O-N 3.3Å; G16-W19 PolarHBondContact O-N 3.39Å; G16-Y20 WeakPolarHBondContact O-CB 3.29Å; G16-Y20 WeakPolarHBondContact O-CD2 3.28Å; G16-Y20 PolarHBondContact O-N 3.43Å |
| 17 | A | 58.6 | Low | 57 | Low | 48 Ų | 48 | 103.5 Ų | 103.5 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q14 Y20 A21 | Q14-A17 HydrophobicContact CB-CB 3.79Å; Q14-A17 PolarHBondContact O-N 2.6Å; A17-Y20 PolarHBondContact O-N 2.95Å; A17-A21 VanDerWaalsContact O-CB 3.28Å; A17-A21 WeakPolarHBondContact O-CB 3.31Å; A17-A21 PolarHBondContact O-N 2.82Å |
| 18 | A | 61.8 | Low | 58.7 | Low | 48 Ų | 48 | 101.8 Ų | 101.8 | 40% | 0.397 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q14 G16 M22 | Q14-A18 PolarHBondContact O-N 3.35Å; G16-A18 PolarHBondContact O-N 3.3Å; A18-M22 WeakPolarHBondContact O-CB 3.42Å; A18-M22 PolarHBondContact O-N 3.3Å |
| 19 | W | 62.5 | Low | 60.4 | Low | 168 Ų | 168 | 100.1 Ų | 100.1 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.9 | -46.2 | 174 | 179.9 | -99.7 | 0 | 0 | 0 | 111.9 | W15 G16 A21 M22 H23 | W15-W19 WeakPolarHBondContact O-CB 3.42Å; W15-W19 PolarHBondContact O-N 3.3Å; G16-W19 PolarHBondContact O-N 3.39Å; W19-A21 PolarHBondContact O-N 3.26Å; W19-M22 PolarHBondContact O-N 2.83Å; W19-H23 VanDerWaalsContact O-CB 3.25Å; W19-H23 WeakPolarHBondContact O-CB 3.24Å; W19-H23 PolarHBondContact O-N 3.29Å |
| 20 | Y | 62.2 | Low | 61.6 | Low | 174 Ų | 174 | 98.3 Ų | 98.3 | 68% | 0.682 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | 175.8 | -80.2 | -62 | 0 | 0 | 0 | 112.1 | G16 A17 M22 H23 S24 | G16-Y20 WeakPolarHBondContact O-CB 3.29Å; G16-Y20 WeakPolarHBondContact O-CD2 3.28Å; G16-Y20 PolarHBondContact O-N 3.43Å; A17-Y20 PolarHBondContact O-N 2.95Å; Y20-M22 VanDerWaalsContact C-N 3.35Å; Y20-H23 PolarHBondContact O-N 2.79Å; Y20-S24 WeakPolarHBondContact O-CB 3.46Å; Y20-S24 PolarHBondContact O-N 2.98Å; Y20-S24 PolarHBondContact O-OG 3.04Å; Y20-S24 VanDerWaalsContact O-OG 3.05Å |
| 21 | A | 62.8 | Low | 62.1 | Low | 46 Ų | 46 | 96.6 Ų | 96.6 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.3 | -30.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | A17 W19 S24 R25 | A17-A21 VanDerWaalsContact O-CB 3.28Å; A17-A21 WeakPolarHBondContact O-CB 3.31Å; A17-A21 PolarHBondContact O-N 2.82Å; W19-A21 PolarHBondContact O-N 3.26Å; A21-S24 WeakPolarHBondContact CA-OG 3.3Å; A21-S24 PolarHBondContact O-OG 3.18Å; A21-R25 WeakPolarHBondContact O-CD 3.38Å; A21-R25 WeakPolarHBondContact O-CG 3.31Å; A21-R25 PolarHBondContact O-N 3.27Å |
| 22 | M | 66.1 | Low | 62.3 | Low | 93 Ų | 93 | 86.3 Ų | 86.3 | 46% | 0.458 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -73.6 | -44.2 | 172.8 | -174.2 | 178 | -70.4 | 0 | 0 | 111.2 | A18 W19 Y20 S24 R25 I26 | A18-M22 WeakPolarHBondContact O-CB 3.42Å; A18-M22 PolarHBondContact O-N 3.3Å; W19-M22 PolarHBondContact O-N 2.83Å; Y20-M22 VanDerWaalsContact C-N 3.35Å; M22-S24 PolarHBondContact O-N 3.38Å; M22-R25 WeakPolarHBondContact O-CB 3.37Å; M22-R25 PolarHBondContact O-N 3.05Å; M22-R25 VanDerWaalsContact O-N 3.14Å; M22-I26 HydrophobicContact CG-CD1 3.81Å; M22-I26 VanDerWaalsContact O-CG1 3.32Å; M22-I26 WeakPolarHBondContact O-CG1 3.28Å; M22-I26 PolarHBondContact O-N 2.93Å |
| 23 | H | 66.2 | Low | 62.1 | Low | 95 Ų | 95 | 80.6 Ų | 80.6 | 44% | 0.44 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 176.8 | -171.9 | -90.2 | 0 | 0 | 0 | 112 | W19 Y20 R25 I26 L27 | W19-H23 VanDerWaalsContact O-CB 3.25Å; W19-H23 WeakPolarHBondContact O-CB 3.24Å; W19-H23 PolarHBondContact O-N 3.29Å; Y20-H23 PolarHBondContact O-N 2.79Å; H23-R25 PolarHBondContact O-N 3.32Å; H23-I26 PolarHBondContact O-N 3.24Å; H23-L27 VanDerWaalsContact CE1-CD1 3.41Å; H23-L27 WeakPolarHBondContact CE1-CD1 3.15Å; H23-L27 PolarHBondContact O-N 2.87Å |
| 24 | S | 66.3 | Low | 61.9 | Low | 68 Ų | 68 | 79 Ų | 79 | 48% | 0.476 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -77.1 | -2.8 | 175.4 | 69.5 | 0 | 0 | 0 | 0 | 114.9 | Y20 A21 M22 R28 | Y20-S24 WeakPolarHBondContact O-CB 3.46Å; Y20-S24 PolarHBondContact O-N 2.98Å; Y20-S24 PolarHBondContact O-OG 3.04Å; Y20-S24 VanDerWaalsContact O-OG 3.05Å; A21-S24 WeakPolarHBondContact CA-OG 3.3Å; A21-S24 PolarHBondContact O-OG 3.18Å; M22-S24 PolarHBondContact O-N 3.38Å; S24-R28 WeakPolarHBondContact O-CG 3.34Å; S24-R28 PolarHBondContact O-NE 3.41Å |
| 25 | R | 70.4 | Confident | 61.9 | Low | 60 Ų | 60 | 73.4 Ų | 73.4 | 23% | 0.226 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -91.5 | -50.6 | 163.9 | -79.5 | 169.7 | 166.8 | 165.3 | -1.1 | 111.1 | A21 M22 H23 L27 R28 I674 E680 | A21-R25 WeakPolarHBondContact O-CD 3.38Å; A21-R25 WeakPolarHBondContact O-CG 3.31Å; A21-R25 PolarHBondContact O-N 3.27Å; M22-R25 WeakPolarHBondContact O-CB 3.37Å; M22-R25 PolarHBondContact O-N 3.05Å; M22-R25 VanDerWaalsContact O-N 3.14Å; H23-R25 PolarHBondContact O-N 3.32Å; R25-L27 VanDerWaalsContact C-N 3.29Å; R25-L27 PolarHBondContact O-N 2.77Å; R25-R28 WeakPolarHBondContact O-CG 3.35Å; R25-R28 PolarHBondContact O-N 2.89Å; R25-I674 HydrophobicContact CB-CD1 4.08Å; R25-I674 HydrophobicContact CB-CG1 4.08Å; R25-E680 IonicContact CZ-OE1 3.56Å; R25-E680 IonicContact CZ-OE2 3.14Å; R25-E680 IonicContact NE-OE1 3.46Å; R25-E680 PolarHBondContact NE-OE1 3.23Å; R25-E680 IonicContact NE-OE2 2.77Å; R25-E680 PolarHBondContact NE-OE2 3.04Å; R25-E680 IonicContact NH2-OE1 2.85Å; R25-E680 PolarHBondContact NH2-OE1 3.46Å; R25-E680 IonicContact NH2-OE2 3.91Å |
| 26 | I | 73.5 | Confident | 61.3 | Low | 34 Ų | 34 | 65.2 Ų | 65.2 | 17% | 0.174 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.4 | -37.4 | -177.7 | -72.8 | 170.4 | 0 | 0 | 0 | 112.8 | M22 H23 F130 F670 I674 | M22-I26 HydrophobicContact CG-CD1 3.81Å; M22-I26 VanDerWaalsContact O-CG1 3.32Å; M22-I26 WeakPolarHBondContact O-CG1 3.28Å; M22-I26 PolarHBondContact O-N 2.93Å; H23-I26 PolarHBondContact O-N 3.24Å; I26-F130 HydrophobicContact CB-CB 4.49Å; I26-F130 HydrophobicContact CG2-CB 3.62Å; I26-F130 HydrophobicContact CG2-CD1 4.41Å; I26-F130 HydrophobicContact CG2-CG 4Å; I26-F130 VanDerWaalsContact O-CB 3.32Å; I26-F130 WeakPolarHBondContact O-CB 3.37Å; I26-F130 PolarHBondContact O-N 3.06Å; I26-F130 VanDerWaalsContact O-N 3.08Å; I26-F670 HydrophobicContact CD1-CE1 4.18Å; I26-F670 HydrophobicContact CG1-CE1 4.49Å; I26-I674 HydrophobicContact CG1-CD1 4.04Å |
| 27 | L | 71.4 | Confident | 60.3 | Low | 79 Ų | 79 | 69.6 Ų | 69.6 | 41% | 0.414 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 21.2 | -175.6 | -62.2 | 179.8 | 0 | 0 | 0 | 114.4 | H23 R25 T29 | H23-L27 VanDerWaalsContact CE1-CD1 3.41Å; H23-L27 WeakPolarHBondContact CE1-CD1 3.15Å; H23-L27 PolarHBondContact O-N 2.87Å; R25-L27 VanDerWaalsContact C-N 3.29Å; R25-L27 PolarHBondContact O-N 2.77Å; L27-T29 PolarHBondContact O-N 2.9Å |
| 28 | R | 74.3 | Confident | 59.3 | Low | 52 Ų | 52 | 69.8 Ų | 69.8 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 123.1 | 175.8 | -70.8 | -177.7 | -179.6 | 151 | -6.5 | 111 | S24 R25 G128 E129 L679 E680 | S24-R28 WeakPolarHBondContact O-CG 3.34Å; S24-R28 PolarHBondContact O-NE 3.41Å; R25-R28 WeakPolarHBondContact O-CG 3.35Å; R25-R28 PolarHBondContact O-N 2.89Å; R28-G128 CarbonylContact O-C 3.52Å; R28-G128 VanDerWaalsContact O-CA 3.25Å; R28-G128 WeakPolarHBondContact O-CA 3.33Å; R28-E129 PolarHBondContact O-N 3.48Å; R28-L679 HydrophobicContact CB-CD1 3.89Å; R28-E680 IonicContact CZ-OE2 3.34Å; R28-E680 VanDerWaalsContact NH1-CA 3.31Å; R28-E680 IonicContact NH1-OE2 3.53Å; R28-E680 PolarHBondContact NH1-OE2 2.96Å; R28-E680 IonicContact NH2-OE2 2.71Å; R28-E680 PolarHBondContact NH2-OE2 2.87Å |
| 29 | T | 73.8 | Confident | 58.1 | Low | 74 Ų | 74 | 70.3 Ų | 70.3 | 45% | 0.454 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 145.3 | 165.4 | 46.6 | 0 | 0 | 0 | 0 | 110.4 | L27 Y124 V125 | L27-T29 PolarHBondContact O-N 2.9Å; T29-Y124 VanDerWaalsContact CA-O 3.24Å; T29-Y124 WeakPolarHBondContact CA-O 3.24Å; T29-V125 WeakPolarHBondContact CB-O 3.39Å; T29-V125 VanDerWaalsContact CG2-O 3.26Å; T29-V125 WeakPolarHBondContact CG2-O 3.17Å |
| 30 | K | 67.1 | Low | 56.5 | Low | 27 Ų | 27 | 65.7 Ų | 65.7 | 12% | 0.117 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 120.7 | 174.6 | -172.8 | 171.6 | -174.8 | 179.9 | 0 | 109.3 | V32 S34 M35 Y124 V125 D367 L679 | K30-V32 PolarHBondContact O-N 3.39Å; K30-S34 WeakPolarHBondContact CG-OG 3.39Å; K30-M35 HydrophobicContact CD-CG 3.92Å; K30-M35 HydrophobicContact CD-SD 4.22Å; K30-M35 HydrophobicContact CG-CG 4.26Å; K30-Y124 HydrophobicContact CB-CD1 4.33Å; K30-Y124 HydrophobicContact CB-CD2 3.97Å; K30-Y124 HydrophobicContact CB-CE2 4.23Å; K30-Y124 HydrophobicContact CB-CG 4.03Å; K30-Y124 HydrophobicContact CD-CD1 4.14Å; K30-Y124 HydrophobicContact CD-CE1 4.25Å; K30-Y124 PolarHBondContact N-O 2.94Å; K30-Y124 VanDerWaalsContact N-O 3.14Å; K30-V125 HydrophobicContact CB-CG2 4.44Å; K30-D367 WeakPolarHBondContact CE-OD1 3.38Å; K30-D367 IonicContact NZ-OD1 3.04Å; K30-D367 PolarHBondContact NZ-OD1 2.91Å; K30-D367 IonicContact NZ-OD2 3.28Å; K30-D367 PolarHBondContact NZ-OD2 3Å; K30-L679 HydrophobicContact CB-CD1 4.4Å; K30-L679 HydrophobicContact CG-CD2 4.47Å |
| 31 | P | 58.2 | Low | 54.8 | Low | 67 Ų | 67 | 60.2 Ų | 60.2 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 135.1 | 177.5 | 26.1 | -32.2 | 0 | 0 | 0 | 109.5 | E33 S34 | P31-E33 PolarHBondContact O-N 3.24Å; P31-S34 WeakPolarHBondContact O-CB 3.39Å; P31-S34 PolarHBondContact O-N 2.84Å; P31-S34 PolarHBondContact O-OG 3.43Å |
| 32 | V | 51.3 | Low | 53.1 | Low | 14 Ų | 14 | 65.2 Ų | 65.2 | 9% | 0.085 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.8 | -30.7 | -166.6 | -165.3 | 0 | 0 | 0 | 0 | 111.4 | K30 S34 M35 V125 F440 | K30-V32 PolarHBondContact O-N 3.39Å; V32-S34 VanDerWaalsContact C-N 3.31Å; V32-S34 PolarHBondContact O-N 3.19Å; V32-M35 HydrophobicContact CG1-CE 3.9Å; V32-M35 WeakPolarHBondContact O-CB 3.44Å; V32-M35 PolarHBondContact O-N 3.42Å; V32-M35 VanDerWaalsContact O-N 3.15Å; V32-V125 HydrophobicContact CG2-CG1 3.75Å; V32-F440 HydrophobicContact CB-CB 4.06Å; V32-F440 HydrophobicContact CB-CD2 4.5Å; V32-F440 HydrophobicContact CB-CG 4.43Å; V32-F440 HydrophobicContact CG1-CB 3.75Å; V32-F440 HydrophobicContact CG1-CD1 4.33Å; V32-F440 HydrophobicContact CG1-CD2 3.36Å; V32-F440 HydrophobicContact CG1-CE2 3.92Å; V32-F440 HydrophobicContact CG1-CG 3.59Å; V32-F440 HydrophobicContact CG2-CB 4.44Å |
| 33 | E | 44.8 | Very low | 51.3 | Low | 87 Ų | 87 | 65.5 Ų | 65.5 | 41% | 0.407 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.4 | -41.6 | 173.9 | -65.7 | 65.9 | -147.5 | 0 | 0 | 111.2 | P31 M35 L36 E37 F440 | P31-E33 PolarHBondContact O-N 3.24Å; E33-M35 PolarHBondContact O-N 3.02Å; E33-L36 CarbonylContact O-C 3.47Å; E33-L36 WeakPolarHBondContact O-CA 3.4Å; E33-L36 WeakPolarHBondContact O-CB 3.01Å; E33-L36 PolarHBondContact O-N 3.05Å; E33-E37 PolarHBondContact O-N 3.35Å; E33-F440 PolarHBondContact OE1-N 2.98Å |
| 34 | S | 46.9 | Very low | 49.6 | Very low | 38 Ų | 38 | 65.7 Ų | 65.7 | 27% | 0.266 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.5 | -26.7 | 178.9 | 72 | 0 | 0 | 0 | 0 | 113.5 | K30 P31 V32 L36 | K30-S34 WeakPolarHBondContact CG-OG 3.39Å; P31-S34 WeakPolarHBondContact O-CB 3.39Å; P31-S34 PolarHBondContact O-N 2.84Å; P31-S34 PolarHBondContact O-OG 3.43Å; V32-S34 VanDerWaalsContact C-N 3.31Å; V32-S34 PolarHBondContact O-N 3.19Å; S34-L36 VanDerWaalsContact C-N 3.25Å; S34-L36 PolarHBondContact O-N 3.43Å |
| 35 | M | 49.6 | Very low | 48.2 | Very low | 26 Ų | 26 | 70.5 Ų | 70.5 | 13% | 0.128 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -74.4 | -19.4 | 173.4 | -54.5 | -161.9 | -58.4 | 0 | 0 | 112.2 | K30 V32 E33 T39 V112 T115 T121 V125 | K30-M35 HydrophobicContact CD-CG 3.92Å; K30-M35 HydrophobicContact CD-SD 4.22Å; K30-M35 HydrophobicContact CG-CG 4.26Å; V32-M35 HydrophobicContact CG1-CE 3.9Å; V32-M35 WeakPolarHBondContact O-CB 3.44Å; V32-M35 PolarHBondContact O-N 3.42Å; V32-M35 VanDerWaalsContact O-N 3.15Å; E33-M35 PolarHBondContact O-N 3.02Å; M35-T39 PolarHBondContact O-OG1 2.99Å; M35-V112 HydrophobicContact CE-CG1 4.42Å; M35-T115 HydrophobicContact CE-CG2 4.33Å; M35-T115 HydrophobicContact SD-CG2 4.22Å; M35-T121 HydrophobicContact SD-CG2 3.5Å; M35-T121 WeakPolarHBondContact SD-CG2 3.1Å; M35-V125 HydrophobicContact CE-CG2 3.46Å; M35-V125 VanDerWaalsContact CE-CG2 3.46Å; M35-V125 HydrophobicContact SD-CG2 3.68Å |
| 36 | L | 40.8 | Very low | 46.6 | Very low | 30 Ų | 30 | 70 Ų | 70 | 16% | 0.157 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -97.5 | -29.7 | 177.9 | -61.7 | 171.9 | 0 | 0 | 0 | 111.9 | E33 S34 G38 T39 F440 F443 | E33-L36 CarbonylContact O-C 3.47Å; E33-L36 WeakPolarHBondContact O-CA 3.4Å; E33-L36 WeakPolarHBondContact O-CB 3.01Å; E33-L36 PolarHBondContact O-N 3.05Å; S34-L36 VanDerWaalsContact C-N 3.25Å; S34-L36 PolarHBondContact O-N 3.43Å; L36-G38 PolarHBondContact O-N 3.25Å; L36-T39 WeakPolarHBondContact O-CA 3.45Å; L36-T39 WeakPolarHBondContact O-CB 3.46Å; L36-T39 PolarHBondContact O-N 2.77Å; L36-T39 PolarHBondContact O-OG1 2.66Å; L36-F440 HydrophobicContact CD1-CD2 4.39Å; L36-F443 HydrophobicContact CB-CE1 4.41Å; L36-F443 HydrophobicContact CD1-CD1 3.77Å; L36-F443 HydrophobicContact CD1-CE1 4.18Å |
| 37 | E | 37 | Very low | 45.5 | Very low | 134 Ų | 134 | 72.9 Ų | 72.9 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.7 | -36 | 175.6 | -71.6 | -168.8 | 136.6 | 0 | 0 | 112.7 | E33 T39 G40 A41 | E33-E37 PolarHBondContact O-N 3.35Å; E37-T39 PolarHBondContact O-N 2.9Å; E37-G40 PolarHBondContact O-N 2.97Å; E37-A41 PolarHBondContact O-N 3.06Å |
| 38 | G | 38.9 | Very low | 44.7 | Very low | 51 Ų | 51 | 76.3 Ų | 76.3 | 53% | 0.526 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -6.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L36 | L36-G38 PolarHBondContact O-N 3.25Š|
| 39 | T | 36.2 | Very low | 44.2 | Very low | 59 Ų | 59 | 76.4 Ų | 76.4 | 36% | 0.362 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -10.8 | 177.1 | -46.4 | 0 | 0 | 0 | 0 | 112.4 | M35 L36 E37 K48 | M35-T39 PolarHBondContact O-OG1 2.99Å; L36-T39 WeakPolarHBondContact O-CA 3.45Å; L36-T39 WeakPolarHBondContact O-CB 3.46Å; L36-T39 PolarHBondContact O-N 2.77Å; L36-T39 PolarHBondContact O-OG1 2.66Å; E37-T39 PolarHBondContact O-N 2.9Å; T39-K48 WeakPolarHBondContact O-CE 3.44Å; T39-K48 PolarHBondContact O-NZ 3.48Å |
| 40 | G | 28.1 | Very low | 43.9 | Very low | 71 Ų | 71 | 74.8 Ų | 74.8 | 73% | 0.732 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.8 | -20.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | E37 | E37-G40 PolarHBondContact O-N 2.97Š|
| 41 | A | 27.4 | Very low | 44.3 | Very low | 59 Ų | 59 | 79.1 Ų | 79.1 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -84.7 | 141.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E37 T43 | E37-A41 PolarHBondContact O-N 3.06Å; A41-T43 VanDerWaalsContact C-N 3.29Å; A41-T43 PolarHBondContact O-N 2.89Å |
| 42 | T | 27.3 | Very low | 45.4 | Very low | 152 Ų | 152 | 78.4 Ų | 78.4 | 93% | 0.933 | 48% | 0.482 | S | S | * | . | trans | -78 | 72.4 | -179.2 | 51 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 43 | T | 28.6 | Very low | 46.9 | Very low | 99 Ų | 99 | 77.8 Ų | 77.8 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | trans | -92.4 | 145.7 | 162.3 | 55.6 | 0 | 0 | 0 | 0 | 109.8 | A41 H45 | A41-T43 VanDerWaalsContact C-N 3.29Å; A41-T43 PolarHBondContact O-N 2.89Å; T43-H45 PolarHBondContact O-N 3.13Å | ||
| 44 | A | 30.8 | Very low | 49 | Very low | 98 Ų | 98 | 76.1 Ų | 76.1 | 81% | 0.81 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -74.2 | 4.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 45 | H | 35 | Very low | 51 | Low | 169 Ų | 169 | 76.4 Ų | 76.4 | 78% | 0.782 | 48% | 0.475 | S | S | * | . | trans | -143.1 | 80.9 | -175.5 | -67.5 | -54.2 | 0 | 0 | 0 | 111.5 | T43 | T43-H45 PolarHBondContact O-N 3.13Š| ||
| 46 | G | 38.2 | Very low | 52.9 | Low | 49 Ų | 49 | 80.1 Ų | 80.1 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | trans | -158.6 | 58.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 47 | T | 48.9 | Very low | 55.2 | Low | 96 Ų | 96 | 80 Ų | 80 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -80 | 121.9 | 173.2 | 47.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 48 | K | 55.9 | Low | 57.7 | Low | 150 Ų | 150 | 73.6 Ų | 73.6 | 65% | 0.652 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 135.3 | 175.9 | -71 | 163.7 | 178.7 | 163.6 | 0 | 111 | T39 | T39-K48 WeakPolarHBondContact O-CE 3.44Å; T39-K48 PolarHBondContact O-NZ 3.48Å |
| 49 | L | 64.4 | Low | 60.3 | Low | 55 Ų | 55 | 72.7 Ų | 72.7 | 29% | 0.288 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 147.1 | 173 | -67.9 | 173.3 | 0 | 0 | 0 | 111.3 | E277 | L49-E277 HydrophobicContact CB-CG 4.12Å; L49-E277 HydrophobicContact CD1-CG 4.45Å |
| 50 | A | 66.1 | Low | 62.9 | Low | 39 Ų | 39 | 70.6 Ų | 70.6 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 127.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V52 | A50-V52 HydrophobicContact CB-CG1 4.07Å; A50-V52 PolarHBondContact O-N 3.1Å |
| 51 | Q | 76.7 | Confident | 65.7 | Low | 118 Ų | 118 | 67.6 Ų | 67.6 | 55% | 0.551 | 41% | 0.406 | S | S | * | . | trans | -75.2 | 80.1 | 178.5 | -77.5 | 180 | -23.9 | 0 | 0 | 112.5 | E276 E277 K279 | Q51-E276 WeakPolarHBondContact CG-O 3.34Å; Q51-E277 CarbonylContact C-O 3.6Å; Q51-E277 WeakPolarHBondContact CA-O 3.47Å; Q51-K279 VanDerWaalsContact O-CE 3.25Å; Q51-K279 WeakPolarHBondContact O-CE 3.28Å; Q51-K279 WeakPolarHBondContact O-CG 3.14Å | ||
| 52 | V | 80.7 | Confident | 68.7 | Low | 52 Ų | 52 | 64.8 Ų | 64.8 | 32% | 0.315 | 38% | 0.383 | S | S | . | . | trans | -101 | -33.6 | -175.1 | -63.2 | 0 | 0 | 0 | 0 | 114.2 | A50 E277 K279 | A50-V52 HydrophobicContact CB-CG1 4.07Å; A50-V52 PolarHBondContact O-N 3.1Å; V52-E277 PolarHBondContact N-O 3.41Å; V52-K279 WeakPolarHBondContact O-CE 3.46Å; V52-K279 PolarHBondContact O-NZ 3.35Å | ||
| 53 | L | 81.9 | Confident | 71.8 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -74.8 | 134.9 | -169 | -58.6 | 175.2 | 0 | 0 | 0 | 112.5 | D57 L58 L61 V211 E277 K279 | L53-D57 HydrophobicContact CB-CB 4.47Å; L53-D57 HydrophobicContact CD2-CB 4.05Å; L53-L58 HydrophobicContact CB-CD2 4.37Å; L53-L58 HydrophobicContact CB-CG 4.39Å; L53-L58 HydrophobicContact CD1-CD2 3.89Å; L53-L61 HydrophobicContact CD1-CD1 4.1Å; L53-L61 HydrophobicContact CD2-CD1 4.27Å; L53-V211 HydrophobicContact CD2-CG1 3.93Å; L53-V211 HydrophobicContact CD2-CG2 4.07Å; L53-E277 WeakPolarHBondContact CB-O 3.44Å; L53-E277 HydrophobicContact CD1-CB 3.79Å; L53-E277 HydrophobicContact CG-CB 4.05Å; L53-E277 PolarHBondContact N-O 3.25Å; L53-K279 PolarHBondContact O-N 2.84Å |
| 54 | T | 89.4 | Confident | 74.7 | Confident | 51 Ų | 51 | 53 Ų | 53 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | trans | -96.1 | 169 | 169.7 | 75 | 0 | 0 | 0 | 0 | 111.3 | V56 D57 L58 K279 | T54-V56 PolarHBondContact O-N 2.88Å; T54-V56 PolarHBondContact OG1-N 3.2Å; T54-D57 WeakPolarHBondContact CA-OD2 3.46Å; T54-D57 VanDerWaalsContact CB-OD2 3.25Å; T54-D57 WeakPolarHBondContact CB-OD2 3.18Å; T54-D57 WeakPolarHBondContact CG2-OD2 3.36Å; T54-D57 PolarHBondContact N-OD2 3.05Å; T54-D57 PolarHBondContact O-N 2.95Å; T54-D57 VanDerWaalsContact O-N 3.15Å; T54-D57 PolarHBondContact OG1-N 3.34Å; T54-D57 PolarHBondContact OG1-OD2 2.92Å; T54-L58 WeakPolarHBondContact O-CG 3.48Å; T54-L58 PolarHBondContact O-N 3.35Å; T54-K279 HydrophobicContact CG2-CD 4.42Å | ||
| 55 | T | 89.8 | Confident | 77.5 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 27% | 0.27 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.6 | -32.3 | 174 | -43.9 | 0 | 0 | 0 | 0 | 112.8 | I59 S284 Y287 | T55-I59 HydrophobicContact CG2-CD1 4.31Å; T55-I59 WeakPolarHBondContact O-CD1 3.26Å; T55-I59 VanDerWaalsContact O-CG1 3.3Å; T55-I59 WeakPolarHBondContact O-CG1 3.49Å; T55-I59 PolarHBondContact O-N 3.24Å; T55-S284 PolarHBondContact OG1-OG 3.15Å; T55-Y287 HydrophobicContact CG2-CD1 3.65Å; T55-Y287 HydrophobicContact CG2-CE1 4.33Å |
| 56 | V | 89.8 | Confident | 80.1 | Confident | 105 Ų | 105 | 40.7 Ų | 40.7 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -73.2 | -39.1 | 178.8 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | T54 L58 I59 S60 | T54-V56 PolarHBondContact O-N 2.88Å; T54-V56 PolarHBondContact OG1-N 3.2Å; V56-L58 VanDerWaalsContact C-N 3.32Å; V56-L58 PolarHBondContact O-N 3.23Å; V56-I59 PolarHBondContact O-N 3.23Å; V56-S60 WeakPolarHBondContact O-CB 3.29Å; V56-S60 PolarHBondContact O-N 2.87Å |
| 57 | D | 89.3 | Confident | 82.6 | Confident | 26 Ų | 26 | 38.3 Ų | 38.3 | 14% | 0.139 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 174.8 | -53.8 | -61.2 | 0 | 0 | 0 | 111.3 | L53 T54 S60 L61 V211 N215 | L53-D57 HydrophobicContact CB-CB 4.47Å; L53-D57 HydrophobicContact CD2-CB 4.05Å; T54-D57 WeakPolarHBondContact CA-OD2 3.46Å; T54-D57 VanDerWaalsContact CB-OD2 3.25Å; T54-D57 WeakPolarHBondContact CB-OD2 3.18Å; T54-D57 WeakPolarHBondContact CG2-OD2 3.36Å; T54-D57 PolarHBondContact N-OD2 3.05Å; T54-D57 PolarHBondContact O-N 2.95Å; T54-D57 VanDerWaalsContact O-N 3.15Å; T54-D57 PolarHBondContact OG1-N 3.34Å; T54-D57 PolarHBondContact OG1-OD2 2.92Å; D57-S60 PolarHBondContact O-N 3.2Å; D57-L61 WeakPolarHBondContact O-CB 3.29Å; D57-L61 WeakPolarHBondContact O-CG 3.38Å; D57-L61 PolarHBondContact O-N 3.1Å; D57-V211 HydrophobicContact CB-CG1 4.34Å; D57-N215 PolarHBondContact OD1-ND2 3.45Å |
| 58 | L | 88.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.7 | -40.5 | 175.9 | -68 | 170 | 0 | 0 | 0 | 112.6 | L53 T54 V56 L61 G62 I271 T274 A278 A288 | L53-L58 HydrophobicContact CB-CD2 4.37Å; L53-L58 HydrophobicContact CB-CG 4.39Å; L53-L58 HydrophobicContact CD1-CD2 3.89Å; T54-L58 WeakPolarHBondContact O-CG 3.48Å; T54-L58 PolarHBondContact O-N 3.35Å; V56-L58 VanDerWaalsContact C-N 3.32Å; V56-L58 PolarHBondContact O-N 3.23Å; L58-L61 PolarHBondContact O-N 2.98Å; L58-G62 PolarHBondContact O-N 3.12Å; L58-I271 HydrophobicContact CB-CG2 4.26Å; L58-I271 HydrophobicContact CD2-CG2 4.27Å; L58-T274 WeakPolarHBondContact CD2-OG1 3.33Å; L58-A278 HydrophobicContact CD1-CB 3.85Å; L58-A288 HydrophobicContact CB-CB 3.77Å |
| 59 | I | 92.4 | Very high | 85.9 | Confident | 33 Ų | 33 | 26.7 Ų | 26.7 | 17% | 0.169 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 171.8 | -69.3 | 163.5 | 0 | 0 | 0 | 110 | T55 V56 L61 G62 V63 Y287 A288 A291 I295 | T55-I59 HydrophobicContact CG2-CD1 4.31Å; T55-I59 WeakPolarHBondContact O-CD1 3.26Å; T55-I59 VanDerWaalsContact O-CG1 3.3Å; T55-I59 WeakPolarHBondContact O-CG1 3.49Å; T55-I59 PolarHBondContact O-N 3.24Å; V56-I59 PolarHBondContact O-N 3.23Å; I59-L61 PolarHBondContact O-N 3.43Å; I59-G62 PolarHBondContact O-N 3.3Å; I59-V63 HydrophobicContact CG2-CG2 4.1Å; I59-V63 WeakPolarHBondContact O-CB 3.5Å; I59-V63 VanDerWaalsContact O-CG2 3.29Å; I59-V63 WeakPolarHBondContact O-CG2 3.44Å; I59-V63 PolarHBondContact O-N 2.67Å; I59-Y287 HydrophobicContact CD1-CD1 3.99Å; I59-Y287 HydrophobicContact CD1-CE1 3.75Å; I59-A288 HydrophobicContact CG1-CB 3.78Å; I59-A291 HydrophobicContact CD1-CB 4.15Å; I59-A291 HydrophobicContact CG1-CB 4.2Å; I59-I295 HydrophobicContact CG2-CD1 4.18Å |
| 60 | S | 90.9 | Very high | 87 | Confident | 15 Ų | 15 | 24.1 Ų | 24.1 | 11% | 0.105 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 178.7 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | V56 D57 G64 N215 N218 | V56-S60 WeakPolarHBondContact O-CB 3.29Å; V56-S60 PolarHBondContact O-N 2.87Å; D57-S60 PolarHBondContact O-N 3.2Å; S60-G64 WeakPolarHBondContact O-CA 3.44Å; S60-G64 PolarHBondContact O-N 2.99Å; S60-N215 WeakPolarHBondContact CB-OD1 3.42Å; S60-N215 PolarHBondContact OG-OD1 3.25Å; S60-N218 WeakPolarHBondContact CA-ND2 3.45Å; S60-N218 PolarHBondContact O-ND2 3.21Å; S60-N218 PolarHBondContact OG-ND2 2.91Å; S60-N218 VanDerWaalsContact OG-ND2 3.13Å |
| 61 | L | 88.3 | Confident | 88.2 | Confident | 8 Ų | 8 | 22.2 Ų | 22.2 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.5 | -51.1 | 173 | -78.9 | 164.5 | 0 | 0 | 0 | 111.5 | L53 D57 L58 I59 G64 S65 | L53-L61 HydrophobicContact CD1-CD1 4.1Å; L53-L61 HydrophobicContact CD2-CD1 4.27Å; D57-L61 WeakPolarHBondContact O-CB 3.29Å; D57-L61 WeakPolarHBondContact O-CG 3.38Å; D57-L61 PolarHBondContact O-N 3.1Å; L58-L61 PolarHBondContact O-N 2.98Å; I59-L61 PolarHBondContact O-N 3.43Å; L61-G64 PolarHBondContact O-N 3.47Å; L61-S65 WeakPolarHBondContact O-CB 3.5Å; L61-S65 PolarHBondContact O-N 3.28Å; L61-S65 PolarHBondContact O-OG 3.48Å; L61-S65 VanDerWaalsContact O-OG 3.05Å |
| 62 | G | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -76.8 | -19.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L58 I59 S65 C66 | L58-G62 PolarHBondContact O-N 3.12Å; I59-G62 PolarHBondContact O-N 3.3Å; G62-S65 WeakPolarHBondContact CA-OG 3.36Å; G62-S65 PolarHBondContact O-OG 3.26Å; G62-C66 PolarHBondContact O-SG 3.48Å |
| 63 | V | 92.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.018 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -79.6 | -43.5 | 166.8 | 170.8 | 0 | 0 | 0 | 0 | 109.5 | I59 V67 L222 I295 | I59-V63 HydrophobicContact CG2-CG2 4.1Å; I59-V63 WeakPolarHBondContact O-CB 3.5Å; I59-V63 VanDerWaalsContact O-CG2 3.29Å; I59-V63 WeakPolarHBondContact O-CG2 3.44Å; I59-V63 PolarHBondContact O-N 2.67Å; V63-V67 HydrophobicContact CG1-CG2 4.07Å; V63-V67 VanDerWaalsContact O-CB 3.26Å; V63-V67 WeakPolarHBondContact O-CB 3.26Å; V63-V67 VanDerWaalsContact O-CG2 3.26Å; V63-V67 WeakPolarHBondContact O-CG2 3.47Å; V63-V67 PolarHBondContact O-N 3.02Å; V63-L222 HydrophobicContact CG1-CD1 4.35Å; V63-L222 HydrophobicContact CG1-CD2 4.26Å; V63-I295 HydrophobicContact CG1-CG2 3.97Å; V63-I295 HydrophobicContact CG2-CB 4.03Å; V63-I295 HydrophobicContact CG2-CD1 3.92Å; V63-I295 HydrophobicContact CG2-CG2 3.92Å |
| 64 | G | 89.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.4 | -38.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S60 L61 S349 | S60-G64 WeakPolarHBondContact O-CA 3.44Å; S60-G64 PolarHBondContact O-N 2.99Å; L61-G64 PolarHBondContact O-N 3.47Å; G64-S349 WeakPolarHBondContact O-CA 3.35Å; G64-S349 PolarHBondContact O-N 3.36Å |
| 65 | S | 88.3 | Confident | 89.7 | Confident | 5 Ų | 5 | 12 Ų | 12 | 4% | 0.035 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.9 | -51.8 | 175.3 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | L61 G62 G267 S349 | L61-S65 WeakPolarHBondContact O-CB 3.5Å; L61-S65 PolarHBondContact O-N 3.28Å; L61-S65 PolarHBondContact O-OG 3.48Å; L61-S65 VanDerWaalsContact O-OG 3.05Å; G62-S65 WeakPolarHBondContact CA-OG 3.36Å; G62-S65 PolarHBondContact O-OG 3.26Å; S65-G267 VanDerWaalsContact OG-C 3.24Å; S65-G267 PolarHBondContact OG-O 3.49Å; S65-S349 WeakPolarHBondContact O-CB 3.28Å; S65-S349 PolarHBondContact O-OG 3.19Å |
| 66 | C | 90.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 9.9 Ų | 9.9 | 2% | 0.02 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.2 | -57.9 | 177.4 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | G62 G68 A264 I266 C296 Y300 | G62-C66 PolarHBondContact O-SG 3.48Å; C66-G68 PolarHBondContact O-N 2.7Å; C66-A264 WeakPolarHBondContact CB-O 3.25Å; C66-I266 PolarHBondContact SG-O 2.81Å; C66-C296 HydrophobicContact CB-CB 4.48Å; C66-C296 WeakPolarHBondContact CB-SG 3.47Å; C66-Y300 PolarHBondContact O-OH 3.39Å |
| 67 | V | 90.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 55.1 | -165.9 | -168.9 | 0 | 0 | 0 | 0 | 112.3 | V63 M71 N221 C296 | V63-V67 HydrophobicContact CG1-CG2 4.07Å; V63-V67 VanDerWaalsContact O-CB 3.26Å; V63-V67 WeakPolarHBondContact O-CB 3.26Å; V63-V67 VanDerWaalsContact O-CG2 3.26Å; V63-V67 WeakPolarHBondContact O-CG2 3.47Å; V63-V67 PolarHBondContact O-N 3.02Å; V67-M71 HydrophobicContact CG1-CB 4.21Å; V67-M71 HydrophobicContact CG1-CE 3.66Å; V67-M71 HydrophobicContact CG1-CG 4.5Å; V67-M71 HydrophobicContact CG1-SD 3.54Å; V67-M71 VanDerWaalsContact CG1-SD 3.54Å; V67-N221 PolarHBondContact O-ND2 3.42Å; V67-C296 HydrophobicContact CG2-CB 4.3Å; V67-C296 VanDerWaalsContact CG2-SG 3.56Å |
| 68 | G | 87.6 | Confident | 89.8 | Confident | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -106.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | C66 G70 M71 Y72 | C66-G68 PolarHBondContact O-N 2.7Å; G68-G70 PolarHBondContact O-N 3.38Å; G68-G70 VanDerWaalsContact O-N 3.15Å; G68-M71 PolarHBondContact O-N 3.39Å; G68-Y72 WeakPolarHBondContact O-CD2 3.35Å; G68-Y72 PolarHBondContact O-N 3.44Å; G68-Y72 VanDerWaalsContact O-N 3.13Å |
| 69 | T | 86.9 | Confident | 90 | Very high | 1 Ų | 1 | 4.4 Ų | 4.4 | 1% | 0.006 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -57.6 | -32.4 | -172.7 | -52.3 | 0 | 0 | 0 | 0 | 113.1 | M71 V73 V74 A153 Y263 L346 L404 I408 | T69-M71 VanDerWaalsContact C-N 3.32Å; T69-M71 PolarHBondContact O-N 2.96Å; T69-V73 HydrophobicContact CG2-CB 4.24Å; T69-V73 HydrophobicContact CG2-CG2 4.24Å; T69-V73 WeakPolarHBondContact O-CB 3.39Å; T69-V73 PolarHBondContact O-N 2.93Å; T69-V74 PolarHBondContact O-N 2.95Å; T69-V74 VanDerWaalsContact O-N 3.11Å; T69-A153 HydrophobicContact CG2-CB 3.79Å; T69-Y263 WeakPolarHBondContact CB-OH 3.13Å; T69-Y263 HydrophobicContact CG2-CE1 3.85Å; T69-Y263 WeakPolarHBondContact CG2-OH 3.21Å; T69-L346 WeakPolarHBondContact OG1-CD2 3.49Å; T69-L404 HydrophobicContact CG2-CD1 4.31Å; T69-I408 HydrophobicContact CG2-CD1 4.47Å |
| 70 | G | 87.4 | Confident | 90 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.01 | 3% | 0.031 | C | C | . | . | I | π-helix | trans | -59 | -38.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G68 S75 | G68-G70 PolarHBondContact O-N 3.38Å; G68-G70 VanDerWaalsContact O-N 3.15Å; G70-S75 PolarHBondContact O-N 2.92Å; G70-S75 PolarHBondContact O-OG 3.05Å |
| 71 | M | 90.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 4% | 0.044 | C | C | . | . | I | π-helix | trans | -81.9 | -51.2 | -177.9 | -165.8 | 167.6 | 67.2 | 0 | 0 | 110.9 | V67 G68 T69 S75 W225 A299 Y300 V303 L322 | V67-M71 HydrophobicContact CG1-CB 4.21Å; V67-M71 HydrophobicContact CG1-CE 3.66Å; V67-M71 HydrophobicContact CG1-CG 4.5Å; V67-M71 HydrophobicContact CG1-SD 3.54Å; V67-M71 VanDerWaalsContact CG1-SD 3.54Å; G68-M71 PolarHBondContact O-N 3.39Å; T69-M71 VanDerWaalsContact C-N 3.32Å; T69-M71 PolarHBondContact O-N 2.96Å; M71-S75 PolarHBondContact O-OG 3.42Å; M71-W225 HydrophobicContact CE-CB 4.34Å; M71-W225 HydrophobicContact SD-CB 4.48Å; M71-W225 HydrophobicContact SD-CG 4.44Å; M71-A299 HydrophobicContact SD-CB 4.33Å; M71-Y300 HydrophobicContact CB-CD1 4.29Å; M71-Y300 HydrophobicContact CB-CE1 3.76Å; M71-Y300 HydrophobicContact CG-CE1 4.41Å; M71-V303 HydrophobicContact CG-CB 4.44Å; M71-V303 HydrophobicContact CG-CG1 4.22Å; M71-V303 HydrophobicContact CG-CG2 3.98Å; M71-V303 HydrophobicContact SD-CG2 3.91Å; M71-L322 HydrophobicContact CG-CD1 4.33Å |
| 72 | Y | 91.3 | Very high | 90 | Very high | 3 Ų | 3 | 9.3 Ų | 9.3 | 1% | 0.012 | 5% | 0.045 | C | C | . | . | I | π-helix | trans | -80.7 | -24.2 | -170 | -70.2 | -76 | 0 | 0 | 0 | 114.4 | G68 N221 P321 L322 V338 G341 S342 | G68-Y72 WeakPolarHBondContact O-CD2 3.35Å; G68-Y72 PolarHBondContact O-N 3.44Å; G68-Y72 VanDerWaalsContact O-N 3.13Å; Y72-N221 VanDerWaalsContact CE2-OD1 3.3Å; Y72-N221 WeakPolarHBondContact CE2-OD1 3.49Å; Y72-N221 PolarHBondContact OH-OD1 3.49Å; Y72-P321 VanDerWaalsContact O-CD 3.28Å; Y72-P321 WeakPolarHBondContact O-CD 3.43Å; Y72-P321 WeakPolarHBondContact O-CG 3.4Å; Y72-L322 HydrophobicContact CD1-CD1 3.83Å; Y72-L322 HydrophobicContact CE1-CD1 4.21Å; Y72-V338 HydrophobicContact CE1-CG1 4.3Å; Y72-G341 PolarHBondContact OH-O 3.05Å; Y72-S342 VanDerWaalsContact CD1-CB 3.42Å |
| 73 | V | 88.9 | Confident | 90.1 | Very high | 5 Ų | 5 | 9.4 Ų | 9.4 | 3% | 0.03 | 5% | 0.045 | C | C | . | . | I | π-helix | trans | -121.3 | -59.5 | -176.1 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | T69 S75 G76 L77 A153 M157 L404 | T69-V73 HydrophobicContact CG2-CB 4.24Å; T69-V73 HydrophobicContact CG2-CG2 4.24Å; T69-V73 WeakPolarHBondContact O-CB 3.39Å; T69-V73 PolarHBondContact O-N 2.93Å; V73-S75 VanDerWaalsContact C-N 3.27Å; V73-S75 PolarHBondContact O-N 3.37Å; V73-G76 PolarHBondContact O-N 2.64Å; V73-L77 PolarHBondContact O-N 3.03Å; V73-L77 VanDerWaalsContact O-N 3.15Å; V73-A153 HydrophobicContact CG2-CB 4.25Å; V73-M157 HydrophobicContact CG2-CE 4.31Å; V73-L404 HydrophobicContact CG1-CD2 4.16Å |
| 74 | V | 89.7 | Confident | 90.1 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 4% | 0.044 | C | C | . | . | I | π-helix | trans | -62 | -34.3 | -168.7 | -179 | 0 | 0 | 0 | 0 | 112.8 | T69 G76 L77 V78 T260 Y263 I408 | T69-V74 PolarHBondContact O-N 2.95Å; T69-V74 VanDerWaalsContact O-N 3.11Å; V74-G76 VanDerWaalsContact C-N 3.25Å; V74-G76 PolarHBondContact O-N 3.47Å; V74-L77 PolarHBondContact O-N 3.41Å; V74-V78 HydrophobicContact CG1-CG2 3.82Å; V74-V78 WeakPolarHBondContact O-CB 3.31Å; V74-V78 WeakPolarHBondContact O-CG2 3.48Å; V74-V78 PolarHBondContact O-N 3.38Å; V74-T260 HydrophobicContact CG1-CG2 4.11Å; V74-Y263 HydrophobicContact CG2-CD1 3.66Å; V74-Y263 HydrophobicContact CG2-CE1 3.9Å; V74-I408 HydrophobicContact CG2-CD1 3.84Å; V74-I408 HydrophobicContact CG2-CG1 4.45Å; V74-I408 HydrophobicContact CG2-CG2 4.46Å |
| 75 | S | 91.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -58.2 | -35.1 | 176 | -61.1 | 0 | 0 | 0 | 0 | 113 | G70 M71 V73 A79 F91 | G70-S75 PolarHBondContact O-N 2.92Å; G70-S75 PolarHBondContact O-OG 3.05Å; M71-S75 PolarHBondContact O-OG 3.42Å; V73-S75 VanDerWaalsContact C-N 3.27Å; V73-S75 PolarHBondContact O-N 3.37Å; S75-A79 VanDerWaalsContact O-CB 3.26Å; S75-A79 WeakPolarHBondContact O-CB 3.34Å; S75-A79 PolarHBondContact O-N 3.49Å; S75-F91 VanDerWaalsContact OG-CZ 3.28Å; S75-F91 WeakPolarHBondContact OG-CZ 3.37Å |
| 76 | G | 90.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -82.9 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V73 V74 V78 A79 K80 | V73-G76 PolarHBondContact O-N 2.64Å; V74-G76 VanDerWaalsContact C-N 3.25Å; V74-G76 PolarHBondContact O-N 3.47Å; G76-V78 PolarHBondContact O-N 3.34Å; G76-A79 PolarHBondContact O-N 3.01Å; G76-K80 WeakPolarHBondContact O-CB 3.25Å; G76-K80 PolarHBondContact O-N 3.2Å |
| 77 | L | 89 | Confident | 90.7 | Very high | 16 Ų | 16 | 8.9 Ų | 8.9 | 8% | 0.084 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -55.2 | -50.6 | 176 | 178.9 | 64.6 | 0 | 0 | 0 | 111.6 | V73 V74 K80 E81 T318 | V73-L77 PolarHBondContact O-N 3.03Å; V73-L77 VanDerWaalsContact O-N 3.15Å; V74-L77 PolarHBondContact O-N 3.41Å; L77-K80 PolarHBondContact O-N 3.48Å; L77-E81 HydrophobicContact CD1-CG 4.18Å; L77-E81 PolarHBondContact O-N 3.46Å; L77-T318 HydrophobicContact CD1-CG2 4.06Å |
| 78 | V | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -69.1 | -36.4 | -179.9 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | V74 G76 M82 A83 V87 T260 | V74-V78 HydrophobicContact CG1-CG2 3.82Å; V74-V78 WeakPolarHBondContact O-CB 3.31Å; V74-V78 WeakPolarHBondContact O-CG2 3.48Å; V74-V78 PolarHBondContact O-N 3.38Å; G76-V78 PolarHBondContact O-N 3.34Å; V78-M82 HydrophobicContact CG1-CB 4.2Å; V78-M82 HydrophobicContact CG2-SD 4.38Å; V78-M82 PolarHBondContact O-N 3.46Å; V78-M82 VanDerWaalsContact O-N 3.13Å; V78-A83 HydrophobicContact CG1-CB 4Å; V78-A83 PolarHBondContact O-N 2.99Å; V78-V87 HydrophobicContact CB-CG2 4.1Å; V78-V87 HydrophobicContact CG1-CB 4.45Å; V78-V87 HydrophobicContact CG1-CG2 3.88Å; V78-T260 HydrophobicContact CG2-CG2 3.64Å |
| 79 | A | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | I | π-helix | trans | -62.8 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | S75 G76 G84 V87 T308 I316 | S75-A79 VanDerWaalsContact O-CB 3.26Å; S75-A79 WeakPolarHBondContact O-CB 3.34Å; S75-A79 PolarHBondContact O-N 3.49Å; G76-A79 PolarHBondContact O-N 3.01Å; A79-G84 WeakPolarHBondContact O-CA 3.45Å; A79-G84 PolarHBondContact O-N 3.27Å; A79-V87 HydrophobicContact CB-CB 4.28Å; A79-V87 HydrophobicContact CB-CG1 4.04Å; A79-T308 HydrophobicContact CB-CG2 3.91Å; A79-I316 HydrophobicContact CB-CD1 3.8Å |
| 80 | K | 92.1 | Very high | 91.6 | Very high | 66 Ų | 66 | 11.2 Ų | 11.2 | 29% | 0.287 | 6% | 0.056 | S | C | . | . | I | π-helix | trans | -74.1 | -52.8 | -178.4 | -168.7 | -171.6 | -161.7 | 159.6 | 0 | 112.8 | G76 L77 Y313 I316 T318 | G76-K80 WeakPolarHBondContact O-CB 3.25Å; G76-K80 PolarHBondContact O-N 3.2Å; L77-K80 PolarHBondContact O-N 3.48Å; K80-Y313 WeakPolarHBondContact CG-O 3.36Å; K80-I316 HydrophobicContact CB-CB 4.48Å; K80-I316 VanDerWaalsContact CD-O 3.27Å; K80-I316 WeakPolarHBondContact CD-O 3.35Å; K80-I316 WeakPolarHBondContact CE-O 3.46Å; K80-I316 PolarHBondContact NZ-O 3.21Å; K80-T318 HydrophobicContact CD-CG2 3.54Å |
| 81 | E | 89.3 | Confident | 92 | Very high | 82 Ų | 82 | 11.2 Ų | 11.2 | 38% | 0.383 | 6% | 0.055 | S | C | . | . | I | π-helix | trans | -89.3 | -30.3 | -168.7 | -67.9 | -168 | -171.8 | 0 | 0 | 114.7 | L77 R405 | L77-E81 HydrophobicContact CD1-CG 4.18Å; L77-E81 PolarHBondContact O-N 3.46Å; E81-R405 VanDerWaalsContact CD-NH1 3.31Å; E81-R405 IonicContact OE1-NH1 2.72Å; E81-R405 PolarHBondContact OE1-NH1 2.93Å; E81-R405 VanDerWaalsContact OE1-NH1 3.11Å; E81-R405 IonicContact OE2-CZ 3.14Å; E81-R405 IonicContact OE2-NH1 3.24Å; E81-R405 PolarHBondContact OE2-NH1 2.83Å; E81-R405 IonicContact OE2-NH2 2.78Å; E81-R405 PolarHBondContact OE2-NH2 3.09Å |
| 82 | M | 89.7 | Confident | 92.2 | Very high | 10 Ų | 10 | 14.8 Ų | 14.8 | 5% | 0.049 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -119.7 | -52.7 | -163.4 | -59.5 | -176.1 | -172.3 | 0 | 0 | 114 | V78 H249 G253 Q256 T260 | V78-M82 HydrophobicContact CG1-CB 4.2Å; V78-M82 HydrophobicContact CG2-SD 4.38Å; V78-M82 PolarHBondContact O-N 3.46Å; V78-M82 VanDerWaalsContact O-N 3.13Å; M82-H249 VanDerWaalsContact C-ND1 3.35Å; M82-H249 WeakPolarHBondContact O-CB 3.4Å; M82-H249 PolarHBondContact O-ND1 3.07Å; M82-G253 CarbonylContact O-C 3.58Å; M82-G253 VanDerWaalsContact O-CA 3.22Å; M82-G253 WeakPolarHBondContact O-CA 3.49Å; M82-Q256 HydrophobicContact SD-CG 4.24Å; M82-T260 HydrophobicContact CE-CG2 4.32Å; M82-T260 PolarHBondContact SD-OG1 3.46Å |
| 83 | A | 91.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 2% | 0.017 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -115 | -16.9 | -163.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V78 G86 V87 S90 | V78-A83 HydrophobicContact CG1-CB 4Å; V78-A83 PolarHBondContact O-N 2.99Å; A83-G86 WeakPolarHBondContact O-CA 3.14Å; A83-G86 PolarHBondContact O-N 3.03Å; A83-V87 HydrophobicContact CB-CB 4.16Å; A83-S90 WeakPolarHBondContact CB-OG 3.41Å |
| 84 | G | 92.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | 60.8 | -148.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A79 G86 V87 | A79-G84 WeakPolarHBondContact O-CA 3.45Å; A79-G84 PolarHBondContact O-N 3.27Å; G84-G86 PolarHBondContact O-N 3.05Å; G84-G86 VanDerWaalsContact O-N 3.13Å; G84-V87 WeakPolarHBondContact O-CB 3.43Å; G84-V87 VanDerWaalsContact O-CG1 3.25Å; G84-V87 WeakPolarHBondContact O-CG1 3.37Å; G84-V87 PolarHBondContact O-N 2.67Å |
| 85 | P | 93 | Very high | 92.6 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -55.6 | -23.1 | 169.1 | -26.2 | 36.8 | 0 | 0 | 0 | 114.6 | V87 I88 W241 Q245 F246 | P85-V87 PolarHBondContact O-N 3.11Å; P85-I88 PolarHBondContact O-N 3.36Å; P85-W241 HydrophobicContact CB-CG 4.41Å; P85-Q245 WeakPolarHBondContact CD-O 3.34Å; P85-F246 HydrophobicContact CB-CD2 3.48Å; P85-F246 VanDerWaalsContact CB-CD2 3.48Å; P85-F246 HydrophobicContact CB-CE2 3.82Å; P85-F246 HydrophobicContact CB-CG 4.26Å |
| 86 | G | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -59.2 | -7.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A83 G84 I88 V89 S90 F246 | A83-G86 WeakPolarHBondContact O-CA 3.14Å; A83-G86 PolarHBondContact O-N 3.03Å; G84-G86 PolarHBondContact O-N 3.05Å; G84-G86 VanDerWaalsContact O-N 3.13Å; G86-I88 PolarHBondContact O-N 2.68Å; G86-I88 VanDerWaalsContact O-N 3.17Å; G86-V89 PolarHBondContact O-N 2.73Å; G86-S90 PolarHBondContact O-N 3.49Å; G86-S90 PolarHBondContact O-OG 3.15Å; G86-F246 PolarHBondContact N-O 2.65Å |
| 87 | V | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -51.9 | -31.1 | 168.3 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | V78 A79 A83 G84 P85 V89 S90 F91 T308 | V78-V87 HydrophobicContact CB-CG2 4.1Å; V78-V87 HydrophobicContact CG1-CB 4.45Å; V78-V87 HydrophobicContact CG1-CG2 3.88Å; A79-V87 HydrophobicContact CB-CB 4.28Å; A79-V87 HydrophobicContact CB-CG1 4.04Å; A83-V87 HydrophobicContact CB-CB 4.16Å; G84-V87 WeakPolarHBondContact O-CB 3.43Å; G84-V87 VanDerWaalsContact O-CG1 3.25Å; G84-V87 WeakPolarHBondContact O-CG1 3.37Å; G84-V87 PolarHBondContact O-N 2.67Å; P85-V87 PolarHBondContact O-N 3.11Å; V87-V89 PolarHBondContact O-N 3Å; V87-S90 VanDerWaalsContact O-CB 3.25Å; V87-S90 WeakPolarHBondContact O-CB 3.37Å; V87-S90 PolarHBondContact O-N 3Å; V87-F91 HydrophobicContact CG2-CD2 3.78Å; V87-F91 HydrophobicContact CG2-CE2 3.59Å; V87-F91 WeakPolarHBondContact O-CD2 3.43Å; V87-F91 PolarHBondContact O-N 3.2Å; V87-T308 HydrophobicContact CG1-CG2 3.86Å |
| 88 | I | 95 | Very high | 92.8 | Very high | 13 Ų | 13 | 19.2 Ų | 19.2 | 7% | 0.067 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 176 | -61.6 | 166.9 | 0 | 0 | 0 | 111.2 | P85 G86 S90 F91 I92 W241 V301 M305 | P85-I88 PolarHBondContact O-N 3.36Å; G86-I88 PolarHBondContact O-N 2.68Å; G86-I88 VanDerWaalsContact O-N 3.17Å; I88-S90 VanDerWaalsContact C-N 3.28Å; I88-S90 PolarHBondContact O-N 3.46Å; I88-F91 PolarHBondContact O-N 2.98Å; I88-I92 HydrophobicContact CG2-CD1 4.11Å; I88-I92 WeakPolarHBondContact O-CG1 3.44Å; I88-I92 PolarHBondContact O-N 3.1Å; I88-I92 VanDerWaalsContact O-N 3.08Å; I88-W241 HydrophobicContact CD1-CH2 3.42Å; I88-W241 VanDerWaalsContact CD1-CH2 3.42Å; I88-W241 HydrophobicContact CD1-CZ2 3.37Å; I88-V301 HydrophobicContact CG2-CG1 4.14Å; I88-M305 HydrophobicContact CD1-CB 4.02Å |
| 89 | V | 94.9 | Very high | 92.8 | Very high | 37 Ų | 37 | 21.9 Ų | 21.9 | 22% | 0.224 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.4 | -35.2 | 176.8 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | G86 V87 I92 I93 F246 W251 V254 | G86-V89 PolarHBondContact O-N 2.73Å; V87-V89 PolarHBondContact O-N 3Å; V89-I92 PolarHBondContact O-N 3.15Å; V89-I93 HydrophobicContact CG1-CD1 4.04Å; V89-I93 WeakPolarHBondContact O-CG1 3.5Å; V89-I93 PolarHBondContact O-N 3.33Å; V89-F246 HydrophobicContact CG2-CE1 4.26Å; V89-F246 HydrophobicContact CG2-CZ 4.44Å; V89-W251 HydrophobicContact CG1-CZ3 4.1Å; V89-V254 HydrophobicContact CB-CG1 3.91Å; V89-V254 HydrophobicContact CG1-CG1 3.84Å |
| 90 | S | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 175.7 | -49.3 | 0 | 0 | 0 | 0 | 111.6 | A83 G86 V87 I88 I93 A94 V254 | A83-S90 WeakPolarHBondContact CB-OG 3.41Å; G86-S90 PolarHBondContact O-N 3.49Å; G86-S90 PolarHBondContact O-OG 3.15Å; V87-S90 VanDerWaalsContact O-CB 3.25Å; V87-S90 WeakPolarHBondContact O-CB 3.37Å; V87-S90 PolarHBondContact O-N 3Å; I88-S90 VanDerWaalsContact C-N 3.28Å; I88-S90 PolarHBondContact O-N 3.46Å; S90-I93 PolarHBondContact O-N 3.15Å; S90-A94 WeakPolarHBondContact O-CB 3.26Å; S90-A94 PolarHBondContact O-N 3.14Å; S90-V254 PolarHBondContact OG-O 2.97Å |
| 91 | F | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.8 | -35.1 | 174.4 | -82.6 | -66.1 | 0 | 0 | 0 | 113.5 | S75 V87 I88 A94 A95 C261 A264 F265 Y300 S304 | S75-F91 VanDerWaalsContact OG-CZ 3.28Å; S75-F91 WeakPolarHBondContact OG-CZ 3.37Å; V87-F91 HydrophobicContact CG2-CD2 3.78Å; V87-F91 HydrophobicContact CG2-CE2 3.59Å; V87-F91 WeakPolarHBondContact O-CD2 3.43Å; V87-F91 PolarHBondContact O-N 3.2Å; I88-F91 PolarHBondContact O-N 2.98Å; F91-A94 PolarHBondContact O-N 2.81Å; F91-A95 VanDerWaalsContact O-CB 3.28Å; F91-A95 WeakPolarHBondContact O-CB 3.39Å; F91-A95 PolarHBondContact O-N 3.25Å; F91-C261 HydrophobicContact CD1-CB 3.65Å; F91-C261 HydrophobicContact CE1-CB 3.75Å; F91-C261 HydrophobicContact CG-CB 4.13Å; F91-C261 HydrophobicContact CZ-CB 4.31Å; F91-C261 VanDerWaalsContact CZ-SG 3.6Å; F91-A264 HydrophobicContact CE1-CB 3.71Å; F91-F265 AromaticContact CD1-CE2 3.99Å; F91-F265 HydrophobicContact CD1-CE2 3.99Å; F91-Y300 HydrophobicContact CD1-CD2 4.26Å; F91-Y300 AromaticContact CD1-CG 3.96Å; F91-Y300 HydrophobicContact CD1-CG 3.96Å; F91-Y300 HydrophobicContact CE1-CD1 4.18Å; F91-Y300 HydrophobicContact CE1-CD2 4.37Å; F91-Y300 AromaticContact CE1-CG 3.92Å; F91-Y300 HydrophobicContact CE1-CG 3.92Å; F91-Y300 HydrophobicContact CZ-CD1 4.49Å; F91-S304 WeakPolarHBondContact CD2-OG 3.46Å; F91-S304 WeakPolarHBondContact CE2-OG 3.46Å |
| 92 | I | 94.9 | Very high | 92.7 | Very high | 76 Ų | 76 | 16.2 Ų | 16.2 | 39% | 0.39 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -66.2 | -42.4 | 176.1 | -69.4 | 165.1 | 0 | 0 | 0 | 111 | I88 V89 A95 V96 L297 V301 | I88-I92 HydrophobicContact CG2-CD1 4.11Å; I88-I92 WeakPolarHBondContact O-CG1 3.44Å; I88-I92 PolarHBondContact O-N 3.1Å; I88-I92 VanDerWaalsContact O-N 3.08Å; V89-I92 PolarHBondContact O-N 3.15Å; I92-A95 PolarHBondContact O-N 3.39Å; I92-V96 WeakPolarHBondContact O-CG2 3.26Å; I92-V96 PolarHBondContact O-N 2.88Å; I92-V96 VanDerWaalsContact O-N 3.08Å; I92-L297 HydrophobicContact CG1-CD1 4.45Å; I92-V301 HydrophobicContact CD1-CG2 4.33Å; I92-V301 HydrophobicContact CG1-CG2 3.76Å |
| 93 | I | 92.3 | Very high | 92.7 | Very high | 46 Ų | 46 | 16.8 Ų | 16.8 | 24% | 0.236 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.3 | -47.1 | 176 | -67.6 | 165.7 | 0 | 0 | 0 | 110.4 | V89 S90 A95 V96 A97 V254 L255 A258 | V89-I93 HydrophobicContact CG1-CD1 4.04Å; V89-I93 WeakPolarHBondContact O-CG1 3.5Å; V89-I93 PolarHBondContact O-N 3.33Å; S90-I93 PolarHBondContact O-N 3.15Å; I93-A95 PolarHBondContact O-N 3.38Å; I93-V96 PolarHBondContact O-N 3.49Å; I93-A97 PolarHBondContact O-N 3.36Å; I93-A97 VanDerWaalsContact O-N 3.15Å; I93-V254 HydrophobicContact CD1-CG1 4.16Å; I93-L255 HydrophobicContact CD1-CD2 4.18Å; I93-A258 HydrophobicContact CB-CB 3.96Å; I93-A258 HydrophobicContact CG2-CB 3.8Å |
| 94 | A | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59 | -44.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | S90 F91 V96 A97 S98 C261 F262 F265 | S90-A94 WeakPolarHBondContact O-CB 3.26Å; S90-A94 PolarHBondContact O-N 3.14Å; F91-A94 PolarHBondContact O-N 2.81Å; A94-V96 PolarHBondContact O-N 3.08Å; A94-A97 WeakPolarHBondContact O-CB 3.39Å; A94-A97 PolarHBondContact O-N 3.04Å; A94-S98 PolarHBondContact O-N 2.9Å; A94-S98 PolarHBondContact O-OG 2.65Å; A94-S98 VanDerWaalsContact O-OG 3.09Å; A94-C261 HydrophobicContact CB-CB 3.89Å; A94-F262 HydrophobicContact CB-CB 4.48Å; A94-F265 HydrophobicContact CB-CD2 3.91Å; A94-F265 HydrophobicContact CB-CE2 3.79Å |
| 95 | A | 93.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 2% | 0.017 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F91 I92 I93 S98 I99 F265 L297 | F91-A95 VanDerWaalsContact O-CB 3.28Å; F91-A95 WeakPolarHBondContact O-CB 3.39Å; F91-A95 PolarHBondContact O-N 3.25Å; I92-A95 PolarHBondContact O-N 3.39Å; I93-A95 PolarHBondContact O-N 3.38Å; A95-S98 PolarHBondContact O-N 3.19Å; A95-I99 WeakPolarHBondContact O-CB 3.47Å; A95-I99 VanDerWaalsContact O-CG1 3.24Å; A95-I99 WeakPolarHBondContact O-CG1 3.15Å; A95-I99 PolarHBondContact O-N 3.11Å; A95-F265 HydrophobicContact CB-CE1 3.79Å; A95-F265 HydrophobicContact CB-CE2 4Å; A95-F265 HydrophobicContact CB-CZ 3.43Å; A95-F265 VanDerWaalsContact CB-CZ 3.43Å; A95-L297 HydrophobicContact CB-CB 4.13Å; A95-L297 HydrophobicContact CB-CD1 3.64Å; A95-L297 HydrophobicContact CB-CD2 4.25Å; A95-L297 HydrophobicContact CB-CG 4.21Å |
| 96 | V | 91.4 | Very high | 92 | Very high | 69 Ų | 69 | 16.8 Ų | 16.8 | 42% | 0.418 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 177.8 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | I92 I93 A94 S98 I99 L100 | I92-V96 WeakPolarHBondContact O-CG2 3.26Å; I92-V96 PolarHBondContact O-N 2.88Å; I92-V96 VanDerWaalsContact O-N 3.08Å; I93-V96 PolarHBondContact O-N 3.49Å; A94-V96 PolarHBondContact O-N 3.08Å; V96-S98 VanDerWaalsContact C-N 3.32Å; V96-S98 PolarHBondContact O-N 3.11Å; V96-I99 PolarHBondContact O-N 2.92Å; V96-L100 HydrophobicContact CG1-CD1 3.84Å; V96-L100 HydrophobicContact CG1-CG 4.5Å; V96-L100 WeakPolarHBondContact O-CD1 3.37Å; V96-L100 WeakPolarHBondContact O-CG 3.49Å; V96-L100 PolarHBondContact O-N 3.12Å |
| 97 | A | 90.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -56.6 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I93 A94 S101 F262 V642 L646 | I93-A97 PolarHBondContact O-N 3.36Å; I93-A97 VanDerWaalsContact O-N 3.15Å; A94-A97 WeakPolarHBondContact O-CB 3.39Å; A94-A97 PolarHBondContact O-N 3.04Å; A97-S101 WeakPolarHBondContact O-CB 3.24Å; A97-S101 PolarHBondContact O-N 3.42Å; A97-S101 PolarHBondContact O-OG 3.27Å; A97-F262 HydrophobicContact CB-CD2 4.3Å; A97-F262 HydrophobicContact CB-CE2 4.28Å; A97-V642 HydrophobicContact CB-CB 4.49Å; A97-V642 HydrophobicContact CB-CG1 3.5Å; A97-L646 HydrophobicContact CB-CD1 3.98Å |
| 98 | S | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.7 | -34.3 | -178.7 | -59.2 | 0 | 0 | 0 | 0 | 113.4 | A94 A95 V96 G102 F262 F265 L293 | A94-S98 PolarHBondContact O-N 2.9Å; A94-S98 PolarHBondContact O-OG 2.65Å; A94-S98 VanDerWaalsContact O-OG 3.09Å; A95-S98 PolarHBondContact O-N 3.19Å; V96-S98 VanDerWaalsContact C-N 3.32Å; V96-S98 PolarHBondContact O-N 3.11Å; S98-G102 WeakPolarHBondContact O-CA 3.46Å; S98-G102 PolarHBondContact O-N 3.19Å; S98-F262 WeakPolarHBondContact OG-CE2 3.12Å; S98-F265 WeakPolarHBondContact OG-CB 3.38Å; S98-L293 WeakPolarHBondContact O-CD1 3.38Å |
| 99 | I | 92.5 | Very high | 89.7 | Confident | 56 Ų | 56 | 16.3 Ų | 16.3 | 29% | 0.287 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -69 | -42 | 174.3 | -71.2 | 164.7 | 0 | 0 | 0 | 111.2 | A95 V96 S101 G102 V103 L293 L297 | A95-I99 WeakPolarHBondContact O-CB 3.47Å; A95-I99 VanDerWaalsContact O-CG1 3.24Å; A95-I99 WeakPolarHBondContact O-CG1 3.15Å; A95-I99 PolarHBondContact O-N 3.11Å; V96-I99 PolarHBondContact O-N 2.92Å; I99-S101 VanDerWaalsContact C-N 3.33Å; I99-S101 PolarHBondContact O-N 3.44Å; I99-G102 PolarHBondContact O-N 2.99Å; I99-V103 WeakPolarHBondContact O-CB 3.28Å; I99-V103 VanDerWaalsContact O-CG2 3.31Å; I99-V103 WeakPolarHBondContact O-CG2 3.4Å; I99-V103 PolarHBondContact O-N 2.86Å; I99-L293 HydrophobicContact CG1-CB 4.06Å; I99-L293 HydrophobicContact CG1-CD1 4.29Å; I99-L297 HydrophobicContact CD1-CD2 4.41Å |
| 100 | L | 90.9 | Very high | 88.9 | Confident | 27 Ų | 27 | 14.9 Ų | 14.9 | 14% | 0.141 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 175.6 | -67.9 | 161.3 | 0 | 0 | 0 | 111.5 | V96 C104 V635 F638 A639 | V96-L100 HydrophobicContact CG1-CD1 3.84Å; V96-L100 HydrophobicContact CG1-CG 4.5Å; V96-L100 WeakPolarHBondContact O-CD1 3.37Å; V96-L100 WeakPolarHBondContact O-CG 3.49Å; V96-L100 PolarHBondContact O-N 3.12Å; L100-C104 PolarHBondContact O-N 2.9Å; L100-C104 PolarHBondContact O-SG 2.96Å; L100-V635 HydrophobicContact CD2-CG1 4.14Å; L100-V635 HydrophobicContact CD2-CG2 4.49Å; L100-F638 HydrophobicContact CD1-CD1 3.31Å; L100-F638 HydrophobicContact CD1-CE1 3.61Å; L100-F638 HydrophobicContact CD1-CG 4.26Å; L100-F638 HydrophobicContact CD2-CD1 4.11Å; L100-F638 HydrophobicContact CG-CD1 4.36Å; L100-A639 HydrophobicContact CB-CB 3.98Å |
| 101 | S | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.2 | -46.6 | 174.7 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | A97 I99 V103 C104 Y105 Y419 N643 | A97-S101 WeakPolarHBondContact O-CB 3.24Å; A97-S101 PolarHBondContact O-N 3.42Å; A97-S101 PolarHBondContact O-OG 3.27Å; I99-S101 VanDerWaalsContact C-N 3.33Å; I99-S101 PolarHBondContact O-N 3.44Å; S101-V103 VanDerWaalsContact C-N 3.32Å; S101-V103 PolarHBondContact O-N 3.5Å; S101-C104 WeakPolarHBondContact O-CA 3.49Å; S101-C104 VanDerWaalsContact O-CB 3.31Å; S101-C104 WeakPolarHBondContact O-CB 3.48Å; S101-C104 PolarHBondContact O-N 3.06Å; S101-Y105 WeakPolarHBondContact O-CD2 3.34Å; S101-Y105 PolarHBondContact O-N 3.1Å; S101-Y419 VanDerWaalsContact CB-CD2 3.45Å; S101-N643 PolarHBondContact OG-ND2 3.07Å |
| 102 | G | 90.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.9 | -36.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | S98 I99 C104 Y105 A106 F268 | S98-G102 WeakPolarHBondContact O-CA 3.46Å; S98-G102 PolarHBondContact O-N 3.19Å; I99-G102 PolarHBondContact O-N 2.99Å; G102-C104 VanDerWaalsContact C-N 3.32Å; G102-C104 PolarHBondContact O-N 2.92Å; G102-Y105 CarbonylContact O-C 3.59Å; G102-Y105 PolarHBondContact O-N 3.28Å; G102-A106 VanDerWaalsContact O-CB 3.27Å; G102-A106 WeakPolarHBondContact O-CB 3.36Å; G102-A106 PolarHBondContact O-N 3.06Å; G102-F268 VanDerWaalsContact CA-CE2 3.42Å |
| 103 | V | 89.6 | Confident | 84.7 | Confident | 22 Ų | 22 | 14.9 Ų | 14.9 | 13% | 0.133 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.5 | -36.2 | 171.5 | 163 | 0 | 0 | 0 | 0 | 112.1 | I99 S101 E107 A629 V635 | I99-V103 WeakPolarHBondContact O-CB 3.28Å; I99-V103 VanDerWaalsContact O-CG2 3.31Å; I99-V103 WeakPolarHBondContact O-CG2 3.4Å; I99-V103 PolarHBondContact O-N 2.86Å; S101-V103 VanDerWaalsContact C-N 3.32Å; S101-V103 PolarHBondContact O-N 3.5Å; V103-E107 PolarHBondContact O-N 3.11Å; V103-A629 HydrophobicContact CG1-CB 3.81Å; V103-V635 HydrophobicContact CG1-CG1 4.03Å |
| 104 | C | 88.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -69.6 | -45.3 | 173.2 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | L100 S101 G102 A106 E107 F108 V426 | L100-C104 PolarHBondContact O-N 2.9Å; L100-C104 PolarHBondContact O-SG 2.96Å; S101-C104 WeakPolarHBondContact O-CA 3.49Å; S101-C104 VanDerWaalsContact O-CB 3.31Å; S101-C104 WeakPolarHBondContact O-CB 3.48Å; S101-C104 PolarHBondContact O-N 3.06Å; G102-C104 VanDerWaalsContact C-N 3.32Å; G102-C104 PolarHBondContact O-N 2.92Å; C104-A106 VanDerWaalsContact C-N 3.26Å; C104-A106 PolarHBondContact O-N 2.89Å; C104-E107 PolarHBondContact O-N 3.36Å; C104-F108 VanDerWaalsContact O-CB 3.24Å; C104-F108 WeakPolarHBondContact O-CB 3.33Å; C104-F108 PolarHBondContact O-N 2.89Å; C104-V426 HydrophobicContact CB-CG2 4.37Å |
| 105 | Y | 86.6 | Confident | 81.6 | Confident | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.5 | -31.4 | 173.9 | -88.7 | -92.9 | 0 | 0 | 0 | 113.4 | S101 G102 F108 G109 F268 D269 A272 Y419 V422 | S101-Y105 WeakPolarHBondContact O-CD2 3.34Å; S101-Y105 PolarHBondContact O-N 3.1Å; G102-Y105 CarbonylContact O-C 3.59Å; G102-Y105 PolarHBondContact O-N 3.28Å; Y105-F108 WeakPolarHBondContact O-CB 3.42Å; Y105-F108 PolarHBondContact O-N 3.4Å; Y105-G109 PolarHBondContact O-N 3.25Å; Y105-F268 AromaticContact CD2-CE2 3.95Å; Y105-F268 HydrophobicContact CD2-CE2 3.95Å; Y105-F268 HydrophobicContact CD2-CZ 4.45Å; Y105-F268 HydrophobicContact CG-CE2 4.05Å; Y105-D269 HydrophobicContact CD1-CB 4.32Å; Y105-D269 HydrophobicContact CE1-CB 4Å; Y105-A272 HydrophobicContact CD1-CB 4.4Å; Y105-Y419 AromaticContact CE2-CD1 3.41Å; Y105-Y419 HydrophobicContact CE2-CD1 3.41Å; Y105-Y419 VanDerWaalsContact CE2-CD1 3.41Å; Y105-Y419 AromaticContact CE2-CE1 3.76Å; Y105-Y419 HydrophobicContact CE2-CE1 3.76Å; Y105-Y419 AromaticContact CE2-CG 3.89Å; Y105-Y419 HydrophobicContact CE2-CG 3.89Å; Y105-Y419 AromaticContact CZ-CD1 3.65Å; Y105-Y419 AromaticContact CZ-CE1 3.82Å; Y105-Y419 VanDerWaalsContact OH-CD1 3.22Å; Y105-Y419 WeakPolarHBondContact OH-CD1 3.43Å; Y105-V422 HydrophobicContact CD1-CG1 4.46Å; Y105-V422 HydrophobicContact CD2-CB 4.49Å; Y105-V422 HydrophobicContact CD2-CG1 3.86Å; Y105-V422 HydrophobicContact CE1-CG1 4.41Å; Y105-V422 HydrophobicContact CE1-CG2 4.14Å; Y105-V422 HydrophobicContact CE2-CB 3.91Å; Y105-V422 HydrophobicContact CE2-CG1 3.78Å; Y105-V422 HydrophobicContact CE2-CG2 4.14Å; Y105-V422 HydrophobicContact CG-CG1 4.21Å |
| 106 | A | 87.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.3 | -39.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G102 C104 V110 P286 I289 Y627 | G102-A106 VanDerWaalsContact O-CB 3.27Å; G102-A106 WeakPolarHBondContact O-CB 3.36Å; G102-A106 PolarHBondContact O-N 3.06Å; C104-A106 VanDerWaalsContact C-N 3.26Å; C104-A106 PolarHBondContact O-N 2.89Å; A106-V110 WeakPolarHBondContact O-CG2 3.33Å; A106-P286 HydrophobicContact CB-CB 3.99Å; A106-I289 HydrophobicContact CB-CD1 4.33Å; A106-Y627 HydrophobicContact CB-CD1 3.92Å; A106-Y627 HydrophobicContact CB-CE1 3.48Å; A106-Y627 VanDerWaalsContact CB-CE1 3.48Å |
| 107 | E | 83.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.1 | -45.1 | 169.3 | 175.8 | 172.3 | 155.1 | 0 | 0 | 110.8 | V103 C104 G109 V110 R111 R430 L625 Y627 A629 | V103-E107 PolarHBondContact O-N 3.11Å; C104-E107 PolarHBondContact O-N 3.36Å; E107-G109 PolarHBondContact O-N 2.87Å; E107-V110 PolarHBondContact O-N 2.77Å; E107-R111 HydrophobicContact CG-CG 4.49Å; E107-R111 WeakPolarHBondContact O-CG 3.31Å; E107-R111 PolarHBondContact O-N 3.42Å; E107-R111 IonicContact OE1-CZ 2.92Å; E107-R111 VanDerWaalsContact OE1-CZ 3.28Å; E107-R111 IonicContact OE1-NE 2.7Å; E107-R111 PolarHBondContact OE1-NE 3.32Å; E107-R111 IonicContact OE1-NH2 3.74Å; E107-R111 PolarHBondContact OE1-NH2 3.26Å; E107-R430 IonicContact OE1-CZ 3.2Å; E107-R430 IonicContact OE1-NE 3.71Å; E107-R430 PolarHBondContact OE1-NE 2.93Å; E107-R430 IonicContact OE1-NH2 3.48Å; E107-R430 PolarHBondContact OE1-NH2 3.24Å; E107-R430 IonicContact OE2-CZ 2.67Å; E107-R430 IonicContact OE2-NE 2.65Å; E107-R430 PolarHBondContact OE2-NE 3.31Å; E107-R430 IonicContact OE2-NH2 2.75Å; E107-R430 PolarHBondContact OE2-NH2 3.34Å; E107-L625 HydrophobicContact CG-CD1 4.31Å; E107-Y627 HydrophobicContact CB-CD1 4.19Å; E107-Y627 HydrophobicContact CB-CE1 4.45Å; E107-A629 HydrophobicContact CB-CB 4.45Å; E107-A629 WeakPolarHBondContact OE2-CB 3.46Å; E107-A629 PolarHBondContact OE2-N 3.24Å |
| 108 | F | 77.1 | Confident | 76.9 | Confident | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.009 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -55.3 | -52.1 | -179 | -174.6 | -71.4 | 0 | 0 | 0 | 112.2 | C104 Y105 V110 R111 S118 A119 Y122 V422 V426 | C104-F108 VanDerWaalsContact O-CB 3.24Å; C104-F108 WeakPolarHBondContact O-CB 3.33Å; C104-F108 PolarHBondContact O-N 2.89Å; Y105-F108 WeakPolarHBondContact O-CB 3.42Å; Y105-F108 PolarHBondContact O-N 3.4Å; F108-V110 PolarHBondContact O-N 2.77Å; F108-R111 PolarHBondContact O-N 3.49Å; F108-R111 VanDerWaalsContact O-N 3.1Å; F108-S118 VanDerWaalsContact CE1-C 3.46Å; F108-S118 VanDerWaalsContact CE1-O 3.31Å; F108-S118 WeakPolarHBondContact CE1-O 3.47Å; F108-S118 WeakPolarHBondContact CZ-O 3.38Å; F108-A119 VanDerWaalsContact CE1-CA 3.45Å; F108-A119 HydrophobicContact CE1-CB 4.47Å; F108-A119 VanDerWaalsContact CZ-CA 3.41Å; F108-Y122 AromaticContact CD2-CD1 3.69Å; F108-Y122 HydrophobicContact CD2-CD1 3.69Å; F108-Y122 AromaticContact CD2-CE1 3.8Å; F108-Y122 HydrophobicContact CD2-CE1 3.8Å; F108-Y122 HydrophobicContact CE1-CD1 4.25Å; F108-Y122 HydrophobicContact CE1-CG 4.34Å; F108-Y122 AromaticContact CE2-CD1 3.18Å; F108-Y122 HydrophobicContact CE2-CD1 3.18Å; F108-Y122 AromaticContact CE2-CE1 3.73Å; F108-Y122 HydrophobicContact CE2-CE1 3.73Å; F108-Y122 HydrophobicContact CE2-CG 4.05Å; F108-Y122 HydrophobicContact CG-CD1 4.43Å; F108-Y122 AromaticContact CZ-CD1 3.47Å; F108-Y122 HydrophobicContact CZ-CD1 3.47Å; F108-Y122 VanDerWaalsContact CZ-CD1 3.47Å; F108-Y122 HydrophobicContact CZ-CE1 4.39Å; F108-Y122 AromaticContact CZ-CG 3.88Å; F108-Y122 HydrophobicContact CZ-CG 3.88Å; F108-V422 HydrophobicContact CD2-CG1 3.7Å; F108-V422 HydrophobicContact CD2-CG2 4.45Å; F108-V422 HydrophobicContact CE2-CG1 4.13Å; F108-V422 HydrophobicContact CE2-CG2 4.06Å; F108-V422 HydrophobicContact CG-CG1 4.26Å; F108-V426 HydrophobicContact CB-CG2 4.17Å; F108-V426 HydrophobicContact CD2-CG2 4.1Å |
| 109 | G | 74.7 | Confident | 76 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.6 | -17.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y105 E107 | Y105-G109 PolarHBondContact O-N 3.25Å; E107-G109 PolarHBondContact O-N 2.87Å |
| 110 | V | 77.6 | Confident | 75.5 | Confident | 6 Ų | 6 | 13.5 Ų | 13.5 | 4% | 0.036 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -89.9 | -18.8 | 175.1 | 170.5 | 0 | 0 | 0 | 0 | 112.5 | A106 E107 F108 N282 P286 P626 | A106-V110 WeakPolarHBondContact O-CG2 3.33Å; E107-V110 PolarHBondContact O-N 2.77Å; F108-V110 PolarHBondContact O-N 2.77Å; V110-N282 WeakPolarHBondContact CG2-O 3.21Å; V110-P286 HydrophobicContact CG2-CG 3.38Å; V110-P626 HydrophobicContact CG1-CB 3.86Å; V110-P626 HydrophobicContact CG1-CG 3.92Å |
| 111 | R | 73.3 | Confident | 74.7 | Confident | 36 Ų | 36 | 12.6 Ų | 12.6 | 14% | 0.136 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -74.4 | -37 | 178.6 | -75.2 | 176.8 | 171.7 | -123.5 | 4.3 | 113.2 | E107 F108 Y122 L429 L625 | E107-R111 HydrophobicContact CG-CG 4.49Å; E107-R111 WeakPolarHBondContact O-CG 3.31Å; E107-R111 PolarHBondContact O-N 3.42Å; E107-R111 IonicContact OE1-CZ 2.92Å; E107-R111 VanDerWaalsContact OE1-CZ 3.28Å; E107-R111 IonicContact OE1-NE 2.7Å; E107-R111 PolarHBondContact OE1-NE 3.32Å; E107-R111 IonicContact OE1-NH2 3.74Å; E107-R111 PolarHBondContact OE1-NH2 3.26Å; F108-R111 PolarHBondContact O-N 3.49Å; F108-R111 VanDerWaalsContact O-N 3.1Å; R111-Y122 HydrophobicContact CB-CD2 4.48Å; R111-Y122 HydrophobicContact CB-CE2 3.87Å; R111-Y122 WeakPolarHBondContact CD-OH 3.27Å; R111-Y122 PolarHBondContact NH1-OH 3.01Å; R111-L429 PolarHBondContact NH1-O 3.49Å; R111-L429 PolarHBondContact NH2-O 3.4Å; R111-L429 VanDerWaalsContact NH2-O 3.07Å; R111-L625 HydrophobicContact CG-CD1 3.56Å; R111-L625 HydrophobicContact CG-CD2 4.21Å |
| 112 | V | 65.9 | Low | 73.8 | Confident | 15 Ų | 15 | 13.1 Ų | 13.1 | 9% | 0.091 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -134 | 77.7 | 175.3 | -167.5 | 0 | 0 | 0 | 0 | 110.5 | M35 K114 T115 Y122 | M35-V112 HydrophobicContact CE-CG1 4.42Å; V112-K114 VanDerWaalsContact C-N 3.29Å; V112-K114 PolarHBondContact O-N 3.12Å; V112-T115 HydrophobicContact CG1-CG2 3.55Å; V112-T115 WeakPolarHBondContact CG1-OG1 3.28Å; V112-Y122 HydrophobicContact CG2-CD2 3.64Å; V112-Y122 HydrophobicContact CG2-CE2 4.34Å |
| 113 | P | 58 | Low | 73.2 | Confident | 25 Ų | 25 | 13 Ų | 13 | 16% | 0.162 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.4 | -175.4 | 33.4 | -38.2 | 0 | 0 | 0 | 114.4 | P281 N282 | P113-P281 HydrophobicContact CB-CB 3.65Å; P113-P281 HydrophobicContact CB-CG 3.61Å; P113-N282 WeakPolarHBondContact CG-OD1 3.33Å |
| 114 | K | 58.6 | Low | 72.6 | Confident | 99 Ų | 99 | 12 Ų | 12 | 43% | 0.43 | 6% | 0.06 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 27.4 | -175.2 | -59.8 | -174 | -177.4 | 179 | 0 | 113.3 | V112 E447 | V112-K114 VanDerWaalsContact C-N 3.29Å; V112-K114 PolarHBondContact O-N 3.12Å; K114-E447 IonicContact NZ-OE1 3.49Å; K114-E447 PolarHBondContact NZ-OE1 3.41Å; K114-E447 IonicContact NZ-OE2 2.7Å; K114-E447 PolarHBondContact NZ-OE2 3.01Å |
| 115 | T | 60.5 | Low | 71.8 | Confident | 21 Ų | 21 | 13.3 Ų | 13.3 | 13% | 0.129 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -140.2 | 134.9 | 179.8 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | M35 V112 T121 E276 | M35-T115 HydrophobicContact CE-CG2 4.33Å; M35-T115 HydrophobicContact SD-CG2 4.22Å; V112-T115 HydrophobicContact CG1-CG2 3.55Å; V112-T115 WeakPolarHBondContact CG1-OG1 3.28Å; T115-T121 HydrophobicContact CG2-CG2 4.07Å; T115-E276 VanDerWaalsContact C-OE1 3.22Å; T115-E276 WeakPolarHBondContact CA-OE1 3.13Å; T115-E276 PolarHBondContact N-OE1 2.96Å |
| 116 | T | 56.8 | Low | 70.8 | Confident | 19 Ų | 19 | 13.8 Ų | 13.8 | 12% | 0.117 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 143.9 | 178.8 | -40.4 | 0 | 0 | 0 | 0 | 111.1 | S118 T121 E276 R359 Y362 | T116-S118 VanDerWaalsContact C-N 3.35Å; T116-S118 PolarHBondContact O-N 2.76Å; T116-T121 PolarHBondContact O-OG1 3.47Å; T116-E276 WeakPolarHBondContact CA-OE2 3.29Å; T116-E276 VanDerWaalsContact CB-OE2 3.22Å; T116-E276 WeakPolarHBondContact CB-OE2 3.37Å; T116-E276 PolarHBondContact N-OE1 2.68Å; T116-E276 PolarHBondContact N-OE2 3.24Å; T116-E276 PolarHBondContact OG1-OE1 3.38Å; T116-E276 PolarHBondContact OG1-OE2 2.95Å; T116-R359 HydrophobicContact CG2-CB 3.77Å; T116-R359 HydrophobicContact CG2-CG 4.46Å; T116-Y362 HydrophobicContact CG2-CD1 4.36Å |
| 117 | G | 56.2 | Low | 70.2 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A119 Y120 T121 | G117-A119 PolarHBondContact O-N 2.9Å; G117-Y120 WeakPolarHBondContact O-CB 3.33Å; G117-Y120 PolarHBondContact O-N 3.1Å; G117-T121 PolarHBondContact O-N 3.42Å |
| 118 | S | 64.1 | Low | 69.9 | Low | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -42.4 | -43.3 | -168.8 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | F108 T116 Y120 T121 Y122 A272 | F108-S118 VanDerWaalsContact CE1-C 3.46Å; F108-S118 VanDerWaalsContact CE1-O 3.31Å; F108-S118 WeakPolarHBondContact CE1-O 3.47Å; F108-S118 WeakPolarHBondContact CZ-O 3.38Å; T116-S118 VanDerWaalsContact C-N 3.35Å; T116-S118 PolarHBondContact O-N 2.76Å; S118-Y120 VanDerWaalsContact C-N 3.28Å; S118-Y120 PolarHBondContact O-N 3.47Å; S118-T121 PolarHBondContact O-N 3.39Å; S118-Y122 WeakPolarHBondContact O-CB 3.49Å; S118-Y122 PolarHBondContact O-N 3.48Å; S118-A272 VanDerWaalsContact OG-C 3.32Å; S118-A272 PolarHBondContact OG-O 2.83Å |
| 119 | A | 72.3 | Confident | 70.3 | Confident | 3 Ų | 3 | 15.7 Ų | 15.7 | 3% | 0.025 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -51 | -42.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F108 G117 S123 L139 | F108-A119 VanDerWaalsContact CE1-CA 3.45Å; F108-A119 HydrophobicContact CE1-CB 4.47Å; F108-A119 VanDerWaalsContact CZ-CA 3.41Å; G117-A119 PolarHBondContact O-N 2.9Å; A119-S123 PolarHBondContact O-OG 3.34Å; A119-L139 HydrophobicContact CB-CD1 3.51Å |
| 120 | Y | 82.8 | Confident | 70.9 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -77 | -52.1 | 174.7 | 151.5 | -98 | 0 | 0 | 0 | 111.2 | G117 S118 Y122 S123 Y124 A132 A363 M364 D367 L369 | G117-Y120 WeakPolarHBondContact O-CB 3.33Å; G117-Y120 PolarHBondContact O-N 3.1Å; S118-Y120 VanDerWaalsContact C-N 3.28Å; S118-Y120 PolarHBondContact O-N 3.47Å; Y120-Y122 PolarHBondContact O-N 2.9Å; Y120-S123 PolarHBondContact O-N 3.39Å; Y120-Y124 HydrophobicContact CE2-CD1 4.28Å; Y120-Y124 AromaticContact CZ-CD1 3.84Å; Y120-Y124 PolarHBondContact O-N 3.05Å; Y120-Y124 VanDerWaalsContact O-N 3.09Å; Y120-Y124 WeakPolarHBondContact OH-CD1 3.49Å; Y120-Y124 WeakPolarHBondContact OH-CE1 3.32Å; Y120-A132 HydrophobicContact CD2-CB 3.99Å; Y120-A132 WeakPolarHBondContact CD2-O 3.44Å; Y120-A132 HydrophobicContact CE2-CB 3.94Å; Y120-A363 HydrophobicContact CD1-CB 4.13Å; Y120-A363 HydrophobicContact CE1-CB 4.08Å; Y120-M364 HydrophobicContact CD1-CG 4.18Å; Y120-M364 HydrophobicContact CD2-CG 3.84Å; Y120-M364 HydrophobicContact CD2-SD 4.45Å; Y120-M364 HydrophobicContact CE1-CG 4.07Å; Y120-M364 HydrophobicContact CE2-CG 3.74Å; Y120-M364 HydrophobicContact CG-CG 4.08Å; Y120-D367 VanDerWaalsContact OH-CB 3.31Å; Y120-D367 WeakPolarHBondContact OH-CB 3.45Å; Y120-D367 PolarHBondContact OH-OD2 3.19Å; Y120-D367 VanDerWaalsContact OH-OD2 3.11Å; Y120-L369 HydrophobicContact CE2-CD1 4.11Å; Y120-L369 WeakPolarHBondContact OH-CD1 3.37Å |
| 121 | T | 73.4 | Confident | 71.2 | Confident | 8 Ų | 8 | 19.5 Ų | 19.5 | 5% | 0.049 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | -168.7 | -56.8 | 0 | 0 | 0 | 0 | 112.7 | M35 T115 T116 G117 S118 Y124 V125 | M35-T121 HydrophobicContact SD-CG2 3.5Å; M35-T121 WeakPolarHBondContact SD-CG2 3.1Å; T115-T121 HydrophobicContact CG2-CG2 4.07Å; T116-T121 PolarHBondContact O-OG1 3.47Å; G117-T121 PolarHBondContact O-N 3.42Å; S118-T121 PolarHBondContact O-N 3.39Å; T121-Y124 WeakPolarHBondContact O-CB 3.49Å; T121-Y124 PolarHBondContact O-N 2.92Å; T121-V125 PolarHBondContact O-N 2.82Å |
| 122 | Y | 72.3 | Confident | 71.8 | Confident | 10 Ų | 10 | 17.8 Ų | 17.8 | 4% | 0.039 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70.1 | -37.1 | 177 | 176.2 | -96.4 | 0 | 0 | 0 | 112.1 | F108 R111 V112 S118 Y120 Y124 V125 T126 C425 L429 | F108-Y122 AromaticContact CD2-CD1 3.69Å; F108-Y122 HydrophobicContact CD2-CD1 3.69Å; F108-Y122 AromaticContact CD2-CE1 3.8Å; F108-Y122 HydrophobicContact CD2-CE1 3.8Å; F108-Y122 HydrophobicContact CE1-CD1 4.25Å; F108-Y122 HydrophobicContact CE1-CG 4.34Å; F108-Y122 AromaticContact CE2-CD1 3.18Å; F108-Y122 HydrophobicContact CE2-CD1 3.18Å; F108-Y122 AromaticContact CE2-CE1 3.73Å; F108-Y122 HydrophobicContact CE2-CE1 3.73Å; F108-Y122 HydrophobicContact CE2-CG 4.05Å; F108-Y122 HydrophobicContact CG-CD1 4.43Å; F108-Y122 AromaticContact CZ-CD1 3.47Å; F108-Y122 HydrophobicContact CZ-CD1 3.47Å; F108-Y122 VanDerWaalsContact CZ-CD1 3.47Å; F108-Y122 HydrophobicContact CZ-CE1 4.39Å; F108-Y122 AromaticContact CZ-CG 3.88Å; F108-Y122 HydrophobicContact CZ-CG 3.88Å; R111-Y122 HydrophobicContact CB-CD2 4.48Å; R111-Y122 HydrophobicContact CB-CE2 3.87Å; R111-Y122 WeakPolarHBondContact CD-OH 3.27Å; R111-Y122 PolarHBondContact NH1-OH 3.01Å; V112-Y122 HydrophobicContact CG2-CD2 3.64Å; V112-Y122 HydrophobicContact CG2-CE2 4.34Å; S118-Y122 WeakPolarHBondContact O-CB 3.49Å; S118-Y122 PolarHBondContact O-N 3.48Å; Y120-Y122 PolarHBondContact O-N 2.9Å; Y122-Y124 PolarHBondContact O-N 2.88Å; Y122-V125 PolarHBondContact O-N 3.38Å; Y122-T126 HydrophobicContact CD1-CG2 4.44Å; Y122-T126 HydrophobicContact CD2-CG2 4.19Å; Y122-T126 HydrophobicContact CE1-CG2 4.39Å; Y122-T126 HydrophobicContact CE2-CG2 4.11Å; Y122-T126 HydrophobicContact CG-CG2 4.4Å; Y122-T126 WeakPolarHBondContact O-CB 3.37Å; Y122-T126 WeakPolarHBondContact O-CG2 3.26Å; Y122-T126 PolarHBondContact O-N 2.99Å; Y122-T126 PolarHBondContact O-OG1 2.86Å; Y122-C425 HydrophobicContact CE1-CB 4.44Å; Y122-L429 HydrophobicContact CD1-CD1 4.27Å; Y122-L429 HydrophobicContact CE1-CD1 3.31Å; Y122-L429 HydrophobicContact CE2-CD1 4.43Å; Y122-L429 VanDerWaalsContact CZ-CD1 3.42Å; Y122-L429 WeakPolarHBondContact OH-CB 3.14Å; Y122-L429 WeakPolarHBondContact OH-CD1 3.4Å |
| 123 | S | 77.7 | Confident | 72.9 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.1 | -29.4 | 173.7 | -66.3 | 0 | 0 | 0 | 0 | 112.6 | A119 Y120 T126 V127 G128 I135 | A119-S123 PolarHBondContact O-OG 3.34Å; Y120-S123 PolarHBondContact O-N 3.39Å; S123-T126 PolarHBondContact O-N 3.49Å; S123-V127 PolarHBondContact O-N 3.42Å; S123-G128 PolarHBondContact O-N 2.97Å; S123-G128 VanDerWaalsContact O-N 3.08Å; S123-I135 VanDerWaalsContact OG-CD1 3.24Å; S123-I135 WeakPolarHBondContact OG-CD1 3.14Å |
| 124 | Y | 77.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.1 | -41.4 | 173.7 | -156.7 | 171.4 | 0 | 0 | 0 | 112 | T29 K30 Y120 T121 Y122 T126 E129 A132 D367 L369 S677 L679 | T29-Y124 VanDerWaalsContact CA-O 3.24Å; T29-Y124 WeakPolarHBondContact CA-O 3.24Å; K30-Y124 HydrophobicContact CB-CD1 4.33Å; K30-Y124 HydrophobicContact CB-CD2 3.97Å; K30-Y124 HydrophobicContact CB-CE2 4.23Å; K30-Y124 HydrophobicContact CB-CG 4.03Å; K30-Y124 HydrophobicContact CD-CD1 4.14Å; K30-Y124 HydrophobicContact CD-CE1 4.25Å; K30-Y124 PolarHBondContact N-O 2.94Å; K30-Y124 VanDerWaalsContact N-O 3.14Å; Y120-Y124 HydrophobicContact CE2-CD1 4.28Å; Y120-Y124 AromaticContact CZ-CD1 3.84Å; Y120-Y124 PolarHBondContact O-N 3.05Å; Y120-Y124 VanDerWaalsContact O-N 3.09Å; Y120-Y124 WeakPolarHBondContact OH-CD1 3.49Å; Y120-Y124 WeakPolarHBondContact OH-CE1 3.32Å; T121-Y124 WeakPolarHBondContact O-CB 3.49Å; T121-Y124 PolarHBondContact O-N 2.92Å; Y122-Y124 PolarHBondContact O-N 2.88Å; Y124-T126 VanDerWaalsContact C-N 3.25Å; Y124-T126 PolarHBondContact O-N 3.42Å; Y124-E129 HydrophobicContact CD2-CB 4.18Å; Y124-E129 HydrophobicContact CE2-CB 3.56Å; Y124-E129 HydrophobicContact CE2-CG 3.71Å; Y124-E129 PolarHBondContact OH-OE2 3.27Å; Y124-A132 VanDerWaalsContact CA-CB 3.48Å; Y124-A132 HydrophobicContact CD2-CB 4.38Å; Y124-A132 HydrophobicContact CG-CB 3.92Å; Y124-D367 HydrophobicContact CE1-CB 4.02Å; Y124-L369 HydrophobicContact CE1-CD1 3.85Å; Y124-S677 PolarHBondContact OH-OG 2.67Å; Y124-L679 HydrophobicContact CE2-CD1 3.53Å; Y124-L679 WeakPolarHBondContact OH-CD1 3.44Å |
| 125 | V | 70.1 | Confident | 75.8 | Confident | 28 Ų | 28 | 13.5 Ų | 13.5 | 17% | 0.17 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.3 | -27.9 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | T29 K30 V32 M35 T121 Y122 | T29-V125 WeakPolarHBondContact CB-O 3.39Å; T29-V125 VanDerWaalsContact CG2-O 3.26Å; T29-V125 WeakPolarHBondContact CG2-O 3.17Å; K30-V125 HydrophobicContact CB-CG2 4.44Å; V32-V125 HydrophobicContact CG2-CG1 3.75Å; M35-V125 HydrophobicContact CE-CG2 3.46Å; M35-V125 VanDerWaalsContact CE-CG2 3.46Å; M35-V125 HydrophobicContact SD-CG2 3.68Å; T121-V125 PolarHBondContact O-N 2.82Å; Y122-V125 PolarHBondContact O-N 3.38Å |
| 126 | T | 67.3 | Low | 77.2 | Confident | 13 Ų | 13 | 12.5 Ų | 12.5 | 8% | 0.08 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -122.3 | -23 | -155.1 | 60.8 | 0 | 0 | 0 | 0 | 116.1 | Y122 S123 Y124 L429 | Y122-T126 HydrophobicContact CD1-CG2 4.44Å; Y122-T126 HydrophobicContact CD2-CG2 4.19Å; Y122-T126 HydrophobicContact CE1-CG2 4.39Å; Y122-T126 HydrophobicContact CE2-CG2 4.11Å; Y122-T126 HydrophobicContact CG-CG2 4.4Å; Y122-T126 WeakPolarHBondContact O-CB 3.37Å; Y122-T126 WeakPolarHBondContact O-CG2 3.26Å; Y122-T126 PolarHBondContact O-N 2.99Å; Y122-T126 PolarHBondContact O-OG1 2.86Å; S123-T126 PolarHBondContact O-N 3.49Å; Y124-T126 VanDerWaalsContact C-N 3.25Å; Y124-T126 PolarHBondContact O-N 3.42Å; T126-L429 HydrophobicContact CG2-CD1 3.57Å; T126-L429 HydrophobicContact CG2-CD2 3.36Å; T126-L429 HydrophobicContact CG2-CG 4.06Å; T126-L429 WeakPolarHBondContact OG1-CD1 3.48Å |
| 127 | V | 74 | Confident | 78.8 | Confident | 42 Ų | 42 | 12.5 Ų | 12.5 | 26% | 0.255 | 7% | 0.065 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -33.4 | 173.6 | -169.3 | 0 | 0 | 0 | 0 | 111.1 | S123 V131 L428 | S123-V127 PolarHBondContact O-N 3.42Å; V127-V131 HydrophobicContact CB-CB 4.21Å; V127-V131 HydrophobicContact CB-CG1 4.18Å; V127-V131 HydrophobicContact CG1-CB 3.91Å; V127-V131 HydrophobicContact CG1-CG1 3.97Å; V127-V131 HydrophobicContact CG1-CG2 3.77Å; V127-L428 HydrophobicContact CG2-CD1 4.14Å |
| 128 | G | 78 | Confident | 80.5 | Confident | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | trans | 122.1 | 172.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R28 S123 F130 V131 A132 | R28-G128 CarbonylContact O-C 3.52Å; R28-G128 VanDerWaalsContact O-CA 3.25Å; R28-G128 WeakPolarHBondContact O-CA 3.33Å; S123-G128 PolarHBondContact O-N 2.97Å; S123-G128 VanDerWaalsContact O-N 3.08Å; G128-F130 PolarHBondContact O-N 2.91Å; G128-V131 PolarHBondContact O-N 2.99Å; G128-A132 PolarHBondContact O-N 3.34Å | ||
| 129 | E | 85.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -47.9 | -51.2 | -168.5 | -167.2 | -178.7 | 97.5 | 0 | 0 | 114.2 | R28 Y124 V131 A132 F133 L369 Y669 S677 | R28-E129 PolarHBondContact O-N 3.48Å; Y124-E129 HydrophobicContact CD2-CB 4.18Å; Y124-E129 HydrophobicContact CE2-CB 3.56Å; Y124-E129 HydrophobicContact CE2-CG 3.71Å; Y124-E129 PolarHBondContact OH-OE2 3.27Å; E129-V131 PolarHBondContact O-N 3.12Å; E129-A132 PolarHBondContact O-N 3.18Å; E129-F133 WeakPolarHBondContact O-CB 3.48Å; E129-F133 PolarHBondContact O-N 3.46Å; E129-L369 HydrophobicContact CG-CD1 4.16Å; E129-L369 HydrophobicContact CG-CD2 3.73Å; E129-L369 HydrophobicContact CG-CG 4.49Å; E129-Y669 HydrophobicContact CG-CE2 4.13Å; E129-Y669 VanDerWaalsContact OE1-CE2 3.28Å; E129-Y669 WeakPolarHBondContact OE1-CE2 3.19Å; E129-Y669 PolarHBondContact OE1-OH 3Å; E129-S677 VanDerWaalsContact OE2-CB 3.24Å; E129-S677 WeakPolarHBondContact OE2-CB 3.46Å; E129-S677 PolarHBondContact OE2-OG 2.75Å |
| 130 | F | 86.3 | Confident | 82.6 | Confident | 55 Ų | 55 | 12.9 Ų | 12.9 | 24% | 0.241 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.9 | -40.8 | -176.7 | 175.5 | -101.2 | 0 | 0 | 0 | 113.2 | I26 G128 F133 F134 L666 Y669 F670 | I26-F130 HydrophobicContact CB-CB 4.49Å; I26-F130 HydrophobicContact CG2-CB 3.62Å; I26-F130 HydrophobicContact CG2-CD1 4.41Å; I26-F130 HydrophobicContact CG2-CG 4Å; I26-F130 VanDerWaalsContact O-CB 3.32Å; I26-F130 WeakPolarHBondContact O-CB 3.37Å; I26-F130 PolarHBondContact O-N 3.06Å; I26-F130 VanDerWaalsContact O-N 3.08Å; G128-F130 PolarHBondContact O-N 2.91Å; F130-F133 PolarHBondContact O-N 3.22Å; F130-F134 WeakPolarHBondContact O-CB 3.13Å; F130-F134 PolarHBondContact O-N 2.93Å; F130-L666 HydrophobicContact CE2-CD2 3.53Å; F130-L666 HydrophobicContact CZ-CD2 3.79Å; F130-Y669 HydrophobicContact CB-CE1 4.44Å; F130-Y669 AromaticContact CD2-CD1 3.84Å; F130-Y669 HydrophobicContact CD2-CD1 3.84Å; F130-Y669 AromaticContact CD2-CE1 3.71Å; F130-Y669 HydrophobicContact CD2-CE1 3.71Å; F130-Y669 HydrophobicContact CE2-CD1 4.33Å; F130-F670 HydrophobicContact CE2-CE2 4.45Å; F130-F670 HydrophobicContact CE2-CZ 4.13Å |
| 131 | V | 84.3 | Confident | 82.9 | Confident | 32 Ų | 32 | 13 Ų | 13 | 19% | 0.194 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -71.7 | -37.2 | 179 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | V127 G128 E129 F134 I135 | V127-V131 HydrophobicContact CB-CB 4.21Å; V127-V131 HydrophobicContact CB-CG1 4.18Å; V127-V131 HydrophobicContact CG1-CB 3.91Å; V127-V131 HydrophobicContact CG1-CG1 3.97Å; V127-V131 HydrophobicContact CG1-CG2 3.77Å; G128-V131 PolarHBondContact O-N 2.99Å; E129-V131 PolarHBondContact O-N 3.12Å; V131-F134 PolarHBondContact O-N 3.31Å; V131-I135 HydrophobicContact CG1-CD1 3.9Å; V131-I135 VanDerWaalsContact O-CG1 3.31Å; V131-I135 WeakPolarHBondContact O-CG1 3.21Å; V131-I135 PolarHBondContact O-N 3.47Å |
| 132 | A | 85.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.3 | -52 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y120 Y124 G128 E129 F134 I135 G136 | Y120-A132 HydrophobicContact CD2-CB 3.99Å; Y120-A132 WeakPolarHBondContact CD2-O 3.44Å; Y120-A132 HydrophobicContact CE2-CB 3.94Å; Y124-A132 VanDerWaalsContact CA-CB 3.48Å; Y124-A132 HydrophobicContact CD2-CB 4.38Å; Y124-A132 HydrophobicContact CG-CB 3.92Å; G128-A132 PolarHBondContact O-N 3.34Å; E129-A132 PolarHBondContact O-N 3.18Å; A132-F134 VanDerWaalsContact C-N 3.28Å; A132-F134 PolarHBondContact O-N 2.87Å; A132-I135 PolarHBondContact O-N 3.43Å; A132-I135 VanDerWaalsContact O-N 3.16Å; A132-G136 PolarHBondContact O-N 2.75Å |
| 133 | F | 89.9 | Confident | 84.6 | Confident | 1 Ų | 1 | 12.5 Ų | 12.5 | 0% | 0.004 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -53.4 | -46.8 | 176.3 | 175.5 | -88.5 | 0 | 0 | 0 | 111.4 | E129 F130 I135 G136 W137 M364 L369 L370 G665 Y669 | E129-F133 WeakPolarHBondContact O-CB 3.48Å; E129-F133 PolarHBondContact O-N 3.46Å; F130-F133 PolarHBondContact O-N 3.22Å; F133-I135 PolarHBondContact O-N 3.05Å; F133-G136 PolarHBondContact O-N 3.39Å; F133-W137 HydrophobicContact CE1-CB 4.09Å; F133-W137 HydrophobicContact CE1-CG 4.25Å; F133-W137 HydrophobicContact CZ-CB 4.32Å; F133-W137 HydrophobicContact CZ-CD2 4.33Å; F133-W137 HydrophobicContact CZ-CE3 4.28Å; F133-W137 HydrophobicContact CZ-CG 4.36Å; F133-W137 VanDerWaalsContact O-CB 3.23Å; F133-W137 WeakPolarHBondContact O-CB 3.41Å; F133-W137 PolarHBondContact O-N 3.47Å; F133-M364 HydrophobicContact CD2-CE 3.56Å; F133-M364 HydrophobicContact CE2-CE 3.85Å; F133-M364 HydrophobicContact CG-CE 4.28Å; F133-L369 HydrophobicContact CD2-CB 4.23Å; F133-L370 HydrophobicContact CE2-CD2 4.11Å; F133-G665 VanDerWaalsContact CE1-O 3.27Å; F133-G665 WeakPolarHBondContact CE1-O 3.42Å; F133-G665 VanDerWaalsContact CZ-O 3.25Å; F133-G665 WeakPolarHBondContact CZ-O 3.42Å; F133-Y669 HydrophobicContact CB-CD2 4.05Å; F133-Y669 HydrophobicContact CB-CE2 4.45Å; F133-Y669 HydrophobicContact CD1-CD2 4.18Å; F133-Y669 HydrophobicContact CD1-CG 4.13Å; F133-Y669 AromaticContact CD2-CD2 3.99Å; F133-Y669 HydrophobicContact CD2-CD2 3.99Å; F133-Y669 HydrophobicContact CE1-CG 4.49Å; F133-Y669 AromaticContact CG-CD2 3.77Å; F133-Y669 HydrophobicContact CG-CD2 3.77Å; F133-Y669 HydrophobicContact CG-CG 4.2Å |
| 134 | F | 89.4 | Confident | 85.3 | Confident | 48 Ų | 48 | 12.6 Ų | 12.6 | 21% | 0.211 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | -180 | -173.2 | -107.1 | 0 | 0 | 0 | 112.6 | F130 V131 A132 N138 L417 L421 C662 | F130-F134 WeakPolarHBondContact O-CB 3.13Å; F130-F134 PolarHBondContact O-N 2.93Å; V131-F134 PolarHBondContact O-N 3.31Å; A132-F134 VanDerWaalsContact C-N 3.28Å; A132-F134 PolarHBondContact O-N 2.87Å; F134-N138 VanDerWaalsContact CE1-ND2 3.27Å; F134-N138 WeakPolarHBondContact CE1-ND2 3.48Å; F134-N138 WeakPolarHBondContact CZ-ND2 3.19Å; F134-N138 VanDerWaalsContact O-CG 3.26Å; F134-N138 PolarHBondContact O-N 3.21Å; F134-N138 VanDerWaalsContact O-N 3.11Å; F134-N138 PolarHBondContact O-ND2 3.09Å; F134-L417 HydrophobicContact CE1-CD2 3.59Å; F134-L417 HydrophobicContact CE1-CG 4.36Å; F134-L417 HydrophobicContact CZ-CD2 3.68Å; F134-L421 HydrophobicContact CD1-CD1 3.88Å; F134-L421 HydrophobicContact CE1-CD1 4Å; F134-C662 HydrophobicContact CE2-CB 4.31Å |
| 135 | I | 87.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.6 | -48.3 | 174.4 | -70.7 | 165.6 | 0 | 0 | 0 | 110.8 | S123 V131 A132 F133 W137 N138 L139 L421 | S123-I135 VanDerWaalsContact OG-CD1 3.24Å; S123-I135 WeakPolarHBondContact OG-CD1 3.14Å; V131-I135 HydrophobicContact CG1-CD1 3.9Å; V131-I135 VanDerWaalsContact O-CG1 3.31Å; V131-I135 WeakPolarHBondContact O-CG1 3.21Å; V131-I135 PolarHBondContact O-N 3.47Å; A132-I135 PolarHBondContact O-N 3.43Å; A132-I135 VanDerWaalsContact O-N 3.16Å; F133-I135 PolarHBondContact O-N 3.05Å; I135-W137 VanDerWaalsContact C-N 3.34Å; I135-W137 PolarHBondContact O-N 3.24Å; I135-N138 PolarHBondContact O-N 3.16Å; I135-L139 HydrophobicContact CG2-CD1 3.88Å; I135-L139 WeakPolarHBondContact O-CG 3.5Å; I135-L139 PolarHBondContact O-N 3.49Å; I135-L421 HydrophobicContact CD1-CB 3.93Å; I135-L421 HydrophobicContact CD1-CD1 4.33Å; I135-L421 HydrophobicContact CG1-CB 4.07Å; I135-L421 HydrophobicContact CG1-CD1 3.7Å |
| 136 | G | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -59.9 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | A132 F133 N138 L139 I140 M364 | A132-G136 PolarHBondContact O-N 2.75Å; F133-G136 PolarHBondContact O-N 3.39Å; G136-N138 VanDerWaalsContact C-N 3.34Å; G136-N138 PolarHBondContact O-N 3.45Å; G136-L139 PolarHBondContact O-N 2.9Å; G136-I140 VanDerWaalsContact O-CG1 3.3Å; G136-I140 WeakPolarHBondContact O-CG1 3.38Å; G136-I140 PolarHBondContact O-N 3.28Å; G136-M364 VanDerWaalsContact C-SD 3.6Å; G136-M364 VanDerWaalsContact CA-SD 3.58Å |
| 137 | W | 91.8 | Very high | 88.1 | Confident | 19 Ų | 19 | 10.8 Ų | 10.8 | 7% | 0.072 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67.5 | -30.8 | 177 | -172.4 | -108.8 | 0 | 0 | 0 | 113.3 | F133 I135 L141 L370 W661 V664 I668 | F133-W137 HydrophobicContact CE1-CB 4.09Å; F133-W137 HydrophobicContact CE1-CG 4.25Å; F133-W137 HydrophobicContact CZ-CB 4.32Å; F133-W137 HydrophobicContact CZ-CD2 4.33Å; F133-W137 HydrophobicContact CZ-CE3 4.28Å; F133-W137 HydrophobicContact CZ-CG 4.36Å; F133-W137 VanDerWaalsContact O-CB 3.23Å; F133-W137 WeakPolarHBondContact O-CB 3.41Å; F133-W137 PolarHBondContact O-N 3.47Å; I135-W137 VanDerWaalsContact C-N 3.34Å; I135-W137 PolarHBondContact O-N 3.24Å; W137-L141 PolarHBondContact O-N 3.48Å; W137-L370 HydrophobicContact CZ3-CD2 4.4Å; W137-W661 AromaticContact CD1-CD1 3.69Å; W137-W661 AromaticContact CD1-NE1 3.3Å; W137-W661 VanDerWaalsContact CD1-NE1 3.3Å; W137-W661 HydrophobicContact CD2-CZ2 4.12Å; W137-W661 AromaticContact CD2-NE1 3.94Å; W137-W661 AromaticContact CE2-CE2 3.39Å; W137-W661 AromaticContact CE2-CZ2 3.59Å; W137-W661 AromaticContact CE2-NE1 3.37Å; W137-W661 HydrophobicContact CE3-CZ2 4.4Å; W137-W661 AromaticContact CG-NE1 3.89Å; W137-W661 AromaticContact CH2-CH2 3.84Å; W137-W661 HydrophobicContact CH2-CH2 3.84Å; W137-W661 AromaticContact CH2-CZ2 3.69Å; W137-W661 HydrophobicContact CH2-CZ2 3.69Å; W137-W661 AromaticContact CZ2-CD2 3.97Å; W137-W661 HydrophobicContact CZ2-CD2 3.97Å; W137-W661 AromaticContact CZ2-CE2 3.47Å; W137-W661 VanDerWaalsContact CZ2-CE2 3.47Å; W137-W661 HydrophobicContact CZ2-CE3 4.28Å; W137-W661 AromaticContact CZ2-CH2 3.74Å; W137-W661 HydrophobicContact CZ2-CH2 3.74Å; W137-W661 AromaticContact CZ2-CZ2 3.35Å; W137-W661 HydrophobicContact CZ2-CZ2 3.35Å; W137-W661 HydrophobicContact CZ2-CZ3 4.17Å; W137-W661 AromaticContact CZ2-NE1 3.96Å; W137-W661 HydrophobicContact CZ3-CZ2 4.21Å; W137-W661 AromaticContact NE1-CD1 3.29Å; W137-W661 VanDerWaalsContact NE1-CD1 3.29Å; W137-W661 AromaticContact NE1-CD2 3.95Å; W137-W661 AromaticContact NE1-CE2 3.43Å; W137-W661 AromaticContact NE1-CG 3.89Å; W137-W661 AromaticContact NE1-NE1 2.95Å; W137-W661 PolarHBondContact NE1-O 3.24Å; W137-W661 PolarHBondContact O-NE1 3.2Å; W137-W661 VanDerWaalsContact O-NE1 3.14Å; W137-V664 HydrophobicContact CH2-CG1 4.38Å; W137-V664 HydrophobicContact CZ2-CB 4.33Å; W137-V664 HydrophobicContact CZ2-CG1 3.94Å; W137-I668 HydrophobicContact CH2-CD1 3.55Å; W137-I668 HydrophobicContact CZ2-CD1 4.2Å; W137-I668 HydrophobicContact CZ3-CD1 3.96Å |
| 138 | N | 90.2 | Very high | 89 | Confident | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -76.8 | -37.6 | 172.6 | -68.4 | -34.3 | 0 | 0 | 0 | 112.1 | F134 I135 G136 I140 L141 E142 F658 | F134-N138 VanDerWaalsContact CE1-ND2 3.27Å; F134-N138 WeakPolarHBondContact CE1-ND2 3.48Å; F134-N138 WeakPolarHBondContact CZ-ND2 3.19Å; F134-N138 VanDerWaalsContact O-CG 3.26Å; F134-N138 PolarHBondContact O-N 3.21Å; F134-N138 VanDerWaalsContact O-N 3.11Å; F134-N138 PolarHBondContact O-ND2 3.09Å; I135-N138 PolarHBondContact O-N 3.16Å; G136-N138 VanDerWaalsContact C-N 3.34Å; G136-N138 PolarHBondContact O-N 3.45Å; N138-I140 VanDerWaalsContact C-N 3.33Å; N138-I140 PolarHBondContact O-N 2.96Å; N138-L141 WeakPolarHBondContact O-CB 3.5Å; N138-L141 PolarHBondContact O-N 3.34Å; N138-L141 VanDerWaalsContact O-N 3.17Å; N138-E142 WeakPolarHBondContact O-CB 3.28Å; N138-E142 PolarHBondContact O-N 2.96Å; N138-F658 WeakPolarHBondContact OD1-CZ 3.37Å |
| 139 | L | 89.2 | Confident | 89.6 | Confident | 1 Ų | 1 | 8.8 Ų | 8.8 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -64.7 | -37 | 173.1 | -68.1 | 162.8 | 0 | 0 | 0 | 112 | A119 I135 G136 L141 E142 Y143 V360 | A119-L139 HydrophobicContact CB-CD1 3.51Å; I135-L139 HydrophobicContact CG2-CD1 3.88Å; I135-L139 WeakPolarHBondContact O-CG 3.5Å; I135-L139 PolarHBondContact O-N 3.49Å; G136-L139 PolarHBondContact O-N 2.9Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L139-E142 PolarHBondContact O-N 3.18Å; L139-Y143 HydrophobicContact CB-CE2 4.31Å; L139-Y143 WeakPolarHBondContact O-CD2 3.34Å; L139-Y143 PolarHBondContact O-N 3.42Å; L139-Y143 VanDerWaalsContact O-N 3.07Å; L139-V360 HydrophobicContact CB-CG1 4.41Å |
| 140 | I | 91.5 | Very high | 89.8 | Confident | 12 Ų | 12 | 8.8 Ų | 8.8 | 6% | 0.062 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 171.5 | -71 | 166.8 | 0 | 0 | 0 | 110.2 | G136 N138 L144 V360 I361 M364 L370 W661 | G136-I140 VanDerWaalsContact O-CG1 3.3Å; G136-I140 WeakPolarHBondContact O-CG1 3.38Å; G136-I140 PolarHBondContact O-N 3.28Å; N138-I140 VanDerWaalsContact C-N 3.33Å; N138-I140 PolarHBondContact O-N 2.96Å; I140-L144 WeakPolarHBondContact O-CB 3.3Å; I140-L144 PolarHBondContact O-N 2.85Å; I140-V360 HydrophobicContact CD1-CG1 4.41Å; I140-V360 HydrophobicContact CG1-CG1 4.01Å; I140-I361 HydrophobicContact CD1-CG1 3.75Å; I140-I361 HydrophobicContact CG1-CG1 3.84Å; I140-M364 HydrophobicContact CD1-SD 3.62Å; I140-L370 HydrophobicContact CD1-CD1 3.76Å; I140-W661 HydrophobicContact CG2-CZ2 4.26Å |
| 141 | L | 90.1 | Very high | 90.2 | Very high | 3 Ų | 3 | 6.2 Ų | 6.2 | 2% | 0.016 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -59.8 | -49 | 175.8 | -175.1 | 62.1 | 0 | 0 | 0 | 112.2 | W137 N138 L139 L144 I145 M410 F658 W661 | W137-L141 PolarHBondContact O-N 3.48Å; N138-L141 WeakPolarHBondContact O-CB 3.5Å; N138-L141 PolarHBondContact O-N 3.34Å; N138-L141 VanDerWaalsContact O-N 3.17Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L141-L144 PolarHBondContact O-N 3.37Å; L141-I145 HydrophobicContact CD1-CD1 3.53Å; L141-I145 HydrophobicContact CD1-CG1 3.92Å; L141-I145 HydrophobicContact CD2-CD1 4.33Å; L141-I145 HydrophobicContact CG-CD1 3.74Å; L141-I145 HydrophobicContact CG-CG1 4.3Å; L141-I145 WeakPolarHBondContact O-CB 3.47Å; L141-I145 WeakPolarHBondContact O-CG1 3.49Å; L141-I145 PolarHBondContact O-N 3.25Å; L141-M410 HydrophobicContact CD1-CE 4.15Å; L141-M410 HydrophobicContact CD2-CE 4.25Å; L141-F658 HydrophobicContact CD2-CD2 3.87Å; L141-F658 HydrophobicContact CD2-CE2 4.04Å; L141-W661 HydrophobicContact CB-CZ2 4.28Å; L141-W661 HydrophobicContact CD1-CD2 3.67Å; L141-W661 HydrophobicContact CD1-CE3 4.08Å; L141-W661 HydrophobicContact CD1-CG 3.88Å; L141-W661 HydrophobicContact CD1-CZ2 4.25Å; L141-W661 HydrophobicContact CD2-CB 4.41Å; L141-W661 HydrophobicContact CD2-CG 3.97Å; L141-W661 HydrophobicContact CG-CD2 4.47Å; L141-W661 HydrophobicContact CG-CG 4.35Å |
| 142 | E | 90.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 5.1 Ų | 5.1 | 1% | 0.014 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -55.3 | -53.6 | -178.2 | 170.5 | 168.9 | -158.2 | 0 | 0 | 111.6 | N138 L139 G146 I266 M411 T415 | N138-E142 WeakPolarHBondContact O-CB 3.28Å; N138-E142 PolarHBondContact O-N 2.96Å; L139-E142 PolarHBondContact O-N 3.18Å; E142-G146 PolarHBondContact O-N 3.39Å; E142-I266 HydrophobicContact CG-CG2 4.29Å; E142-I266 WeakPolarHBondContact OE1-CG2 3.44Å; E142-M411 HydrophobicContact CG-CG 4.45Å; E142-M411 WeakPolarHBondContact O-CE 3.39Å; E142-T415 WeakPolarHBondContact CG-OG1 3.25Å; E142-T415 WeakPolarHBondContact OE1-CB 3.35Å; E142-T415 WeakPolarHBondContact OE1-CG2 3.3Å; E142-T415 PolarHBondContact OE1-OG1 3.04Å |
| 143 | Y | 91.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 5.1 Ų | 5.1 | 2% | 0.016 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -71.7 | -31.6 | -179.8 | -58.1 | -37.6 | 0 | 0 | 0 | 113.6 | L139 G146 T147 D269 I270 T273 S353 P356 M357 V360 | L139-Y143 HydrophobicContact CB-CE2 4.31Å; L139-Y143 WeakPolarHBondContact O-CD2 3.34Å; L139-Y143 PolarHBondContact O-N 3.42Å; L139-Y143 VanDerWaalsContact O-N 3.07Å; Y143-G146 PolarHBondContact O-N 3Å; Y143-T147 WeakPolarHBondContact O-CB 3.48Å; Y143-T147 PolarHBondContact O-N 3.37Å; Y143-T147 PolarHBondContact O-OG1 2.83Å; Y143-D269 VanDerWaalsContact CE1-OD2 3.25Å; Y143-D269 WeakPolarHBondContact CE1-OD2 3.5Å; Y143-D269 VanDerWaalsContact CZ-OD2 3.29Å; Y143-D269 PolarHBondContact OH-OD2 3.41Å; Y143-I270 HydrophobicContact CE1-CD1 4.42Å; Y143-I270 HydrophobicContact CE1-CG1 3.96Å; Y143-T273 PolarHBondContact OH-OG1 3.49Å; Y143-S353 WeakPolarHBondContact CB-O 3.49Å; Y143-P356 HydrophobicContact CD1-CG 3.72Å; Y143-P356 HydrophobicContact CD2-CB 4.02Å; Y143-P356 HydrophobicContact CD2-CG 3.76Å; Y143-P356 HydrophobicContact CE1-CB 4.31Å; Y143-P356 HydrophobicContact CE1-CG 3.62Å; Y143-P356 HydrophobicContact CE2-CB 3.56Å; Y143-P356 HydrophobicContact CE2-CG 3.63Å; Y143-P356 HydrophobicContact CG-CG 3.8Å; Y143-M357 HydrophobicContact CD2-CB 4.36Å; Y143-M357 HydrophobicContact CG-CB 4.47Å; Y143-V360 HydrophobicContact CE2-CG2 3.94Å |
| 144 | L | 92.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 5.5 Ų | 5.5 | 1% | 0.01 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -65.3 | -47.4 | 175.1 | -175.2 | 81 | 0 | 0 | 0 | 111.2 | I140 L141 T147 A148 M357 S391 L394 A395 L398 W661 | I140-L144 WeakPolarHBondContact O-CB 3.3Å; I140-L144 PolarHBondContact O-N 2.85Å; L141-L144 PolarHBondContact O-N 3.37Å; L144-T147 PolarHBondContact O-N 2.87Å; L144-A148 PolarHBondContact O-N 3.17Å; L144-M357 VanDerWaalsContact CA-SD 3.51Å; L144-M357 HydrophobicContact CB-SD 3.77Å; L144-M357 HydrophobicContact CD1-CE 4.44Å; L144-M357 HydrophobicContact CD1-SD 3.84Å; L144-M357 HydrophobicContact CG-SD 4.46Å; L144-S391 VanDerWaalsContact CD1-O 3.28Å; L144-S391 WeakPolarHBondContact CD1-O 3.39Å; L144-L394 HydrophobicContact CD1-CB 3.89Å; L144-L394 HydrophobicContact CD1-CD2 3.93Å; L144-L394 HydrophobicContact CD1-CG 3.86Å; L144-L394 HydrophobicContact CD2-CD2 3.75Å; L144-L394 HydrophobicContact CD2-CG 4.01Å; L144-L394 HydrophobicContact CG-CG 4.49Å; L144-A395 HydrophobicContact CD1-CB 3.96Å; L144-A395 HydrophobicContact CG-CB 4.48Å; L144-L398 HydrophobicContact CD2-CD1 3.63Å; L144-L398 HydrophobicContact CG-CD1 3.91Å; L144-W661 HydrophobicContact CD2-CH2 4.05Å; L144-W661 HydrophobicContact CD2-CZ3 4.41Å |
| 145 | I | 91 | Very high | 90.8 | Very high | 1 Ų | 1 | 3.3 Ų | 3.3 | 1% | 0.005 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -68.6 | -35.8 | 175.1 | -69.5 | -176.5 | 0 | 0 | 0 | 110.9 | L141 A148 A149 L398 L407 M410 M411 | L141-I145 HydrophobicContact CD1-CD1 3.53Å; L141-I145 HydrophobicContact CD1-CG1 3.92Å; L141-I145 HydrophobicContact CD2-CD1 4.33Å; L141-I145 HydrophobicContact CG-CD1 3.74Å; L141-I145 HydrophobicContact CG-CG1 4.3Å; L141-I145 WeakPolarHBondContact O-CB 3.47Å; L141-I145 WeakPolarHBondContact O-CG1 3.49Å; L141-I145 PolarHBondContact O-N 3.25Å; I145-A148 PolarHBondContact O-N 3.41Å; I145-A149 VanDerWaalsContact O-CB 3.26Å; I145-A149 WeakPolarHBondContact O-CB 3.44Å; I145-A149 PolarHBondContact O-N 3.42Å; I145-L398 HydrophobicContact CG1-CD1 4.45Å; I145-L407 HydrophobicContact CG1-CD2 4.34Å; I145-L407 HydrophobicContact CG2-CB 3.89Å; I145-L407 HydrophobicContact CG2-CD2 3.92Å; I145-L407 WeakPolarHBondContact CG2-O 3.29Å; I145-M410 HydrophobicContact CD1-CB 3.92Å; I145-M410 HydrophobicContact CD1-CE 4.28Å; I145-M410 HydrophobicContact CD1-CG 3.56Å; I145-M410 HydrophobicContact CD1-SD 3.8Å; I145-M411 HydrophobicContact CB-CB 4.49Å; I145-M411 HydrophobicContact CG2-CB 3.78Å |
| 146 | G | 90.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 3.8 Ų | 3.8 | 3% | 0.031 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E142 Y143 A148 A149 G150 M411 | E142-G146 PolarHBondContact O-N 3.39Å; Y143-G146 PolarHBondContact O-N 3Å; G146-A148 VanDerWaalsContact C-N 3.34Å; G146-A148 PolarHBondContact O-N 3.35Å; G146-A149 PolarHBondContact O-N 2.97Å; G146-G150 PolarHBondContact O-N 3.48Å; G146-M411 VanDerWaalsContact N-CE 3.32Å |
| 147 | T | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 173.1 | -54.2 | 0 | 0 | 0 | 0 | 111 | Y143 L144 A151 L350 L354 A395 | Y143-T147 WeakPolarHBondContact O-CB 3.48Å; Y143-T147 PolarHBondContact O-N 3.37Å; Y143-T147 PolarHBondContact O-OG1 2.83Å; L144-T147 PolarHBondContact O-N 2.87Å; T147-A151 WeakPolarHBondContact O-CB 3.32Å; T147-A151 PolarHBondContact O-N 3.1Å; T147-L350 HydrophobicContact CG2-CD1 3.75Å; T147-L350 WeakPolarHBondContact O-CD1 3.39Å; T147-L354 HydrophobicContact CG2-CB 4.23Å; T147-L354 HydrophobicContact CG2-CD1 4.13Å; T147-L354 HydrophobicContact CG2-CD2 4.28Å; T147-L354 HydrophobicContact CG2-CG 4.44Å; T147-A395 HydrophobicContact CG2-CB 3.59Å |
| 148 | A | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65 | -46.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L144 I145 G146 A151 S152 A395 L398 A399 L407 | L144-A148 PolarHBondContact O-N 3.17Å; I145-A148 PolarHBondContact O-N 3.41Å; G146-A148 VanDerWaalsContact C-N 3.34Å; G146-A148 PolarHBondContact O-N 3.35Å; A148-A151 PolarHBondContact O-N 2.78Å; A148-S152 PolarHBondContact O-N 2.95Å; A148-S152 PolarHBondContact O-OG 3.38Å; A148-S152 VanDerWaalsContact O-OG 3.06Å; A148-A395 WeakPolarHBondContact CB-O 3.49Å; A148-L398 HydrophobicContact CB-CB 3.9Å; A148-A399 HydrophobicContact CB-CB 4.14Å; A148-L407 HydrophobicContact CB-CD1 3.91Å; A148-L407 HydrophobicContact CB-CD2 4.02Å |
| 149 | A | 90.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | I145 G146 A151 S152 A153 L404 L407 | I145-A149 VanDerWaalsContact O-CB 3.26Å; I145-A149 WeakPolarHBondContact O-CB 3.44Å; I145-A149 PolarHBondContact O-N 3.42Å; G146-A149 PolarHBondContact O-N 2.97Å; A149-A151 VanDerWaalsContact C-N 3.34Å; A149-S152 PolarHBondContact O-N 2.67Å; A149-A153 VanDerWaalsContact O-CB 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.47Å; A149-A153 PolarHBondContact O-N 3.28Å; A149-L404 HydrophobicContact CB-CD1 3.95Å; A149-L404 WeakPolarHBondContact O-CD1 3.34Å; A149-L407 HydrophobicContact CB-CB 4.09Å; A149-L407 HydrophobicContact CB-CD1 4.45Å |
| 150 | G | 90.8 | Very high | 90 | Very high | 1 Ų | 1 | 6.9 Ų | 6.9 | 1% | 0.01 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.5 | -40.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G146 L154 | G146-G150 PolarHBondContact O-N 3.48Å; G150-L154 WeakPolarHBondContact O-CB 3.18Å; G150-L154 PolarHBondContact O-N 2.65Å |
| 151 | A | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -68 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T147 A148 A149 L154 S155 A192 I195 A196 L350 A399 | T147-A151 WeakPolarHBondContact O-CB 3.32Å; T147-A151 PolarHBondContact O-N 3.1Å; A148-A151 PolarHBondContact O-N 2.78Å; A149-A151 VanDerWaalsContact C-N 3.34Å; A151-L154 PolarHBondContact O-N 3.24Å; A151-S155 WeakPolarHBondContact O-CB 3.46Å; A151-S155 PolarHBondContact O-N 2.94Å; A151-A192 HydrophobicContact CB-CB 4.41Å; A151-I195 HydrophobicContact CB-CB 4.39Å; A151-I195 HydrophobicContact CB-CG2 3.86Å; A151-A196 HydrophobicContact CB-CB 3.93Å; A151-L350 HydrophobicContact CB-CD1 4.33Å; A151-L350 HydrophobicContact CB-CD2 4.24Å; A151-A399 HydrophobicContact CB-CB 4.41Å |
| 152 | S | 89.7 | Confident | 89.5 | Confident | 9 Ų | 9 | 11.1 Ų | 11.1 | 6% | 0.063 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 175.7 | -59.6 | 0 | 0 | 0 | 0 | 112.7 | A148 A149 S155 S156 | A148-S152 PolarHBondContact O-N 2.95Å; A148-S152 PolarHBondContact O-OG 3.38Å; A148-S152 VanDerWaalsContact O-OG 3.06Å; A149-S152 PolarHBondContact O-N 2.67Å; S152-S155 WeakPolarHBondContact O-CB 3.36Å; S152-S155 PolarHBondContact O-N 3.36Å; S152-S156 PolarHBondContact O-N 3.34Å |
| 153 | A | 89.8 | Confident | 89.2 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.7 | -41.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T69 V73 A149 S155 S156 M157 L346 L404 | T69-A153 HydrophobicContact CG2-CB 3.79Å; V73-A153 HydrophobicContact CG2-CB 4.25Å; A149-A153 VanDerWaalsContact O-CB 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.47Å; A149-A153 PolarHBondContact O-N 3.28Å; A153-S155 VanDerWaalsContact C-N 3.35Å; A153-S156 PolarHBondContact O-N 2.85Å; A153-M157 WeakPolarHBondContact O-CG 3.48Å; A153-M157 PolarHBondContact O-N 3.43Å; A153-L346 HydrophobicContact CB-CD1 4.29Å; A153-L346 HydrophobicContact CB-CD2 3.83Å; A153-L404 HydrophobicContact CB-CD1 4.29Å; A153-L404 HydrophobicContact CB-CD2 3.99Å |
| 154 | L | 91.1 | Very high | 88.7 | Confident | 9 Ų | 9 | 18.8 Ų | 18.8 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.1 | -36 | 176.6 | -174.9 | 58.4 | 0 | 0 | 0 | 112.1 | G150 A151 M157 F158 I195 V343 L346 | G150-L154 WeakPolarHBondContact O-CB 3.18Å; G150-L154 PolarHBondContact O-N 2.65Å; A151-L154 PolarHBondContact O-N 3.24Å; L154-M157 PolarHBondContact O-N 3.21Å; L154-F158 HydrophobicContact CD1-CD2 4.38Å; L154-F158 HydrophobicContact CD1-CE2 3.86Å; L154-F158 HydrophobicContact CD1-CZ 4.4Å; L154-F158 HydrophobicContact CD2-CE2 4.35Å; L154-F158 HydrophobicContact CG-CD2 4.22Å; L154-F158 HydrophobicContact CG-CE2 3.78Å; L154-F158 WeakPolarHBondContact O-CD2 3.44Å; L154-F158 PolarHBondContact O-N 3.17Å; L154-I195 HydrophobicContact CB-CD1 4.29Å; L154-I195 HydrophobicContact CD2-CD1 4.32Å; L154-I195 HydrophobicContact CD2-CG2 3.91Å; L154-I195 HydrophobicContact CG-CD1 4.08Å; L154-V343 HydrophobicContact CD1-CB 4.22Å; L154-V343 HydrophobicContact CD1-CG1 4.24Å; L154-V343 HydrophobicContact CD1-CG2 3.98Å; L154-L346 HydrophobicContact CB-CB 4.26Å; L154-L346 HydrophobicContact CB-CD1 4.46Å; L154-L346 HydrophobicContact CD1-CB 4.25Å; L154-L346 HydrophobicContact CD1-CD1 4.39Å |
| 155 | S | 90.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.6 | -49.9 | 171.7 | -175.3 | 0 | 0 | 0 | 0 | 112 | A151 S152 A153 M157 F158 D159 D189 L191 | A151-S155 WeakPolarHBondContact O-CB 3.46Å; A151-S155 PolarHBondContact O-N 2.94Å; S152-S155 WeakPolarHBondContact O-CB 3.36Å; S152-S155 PolarHBondContact O-N 3.36Å; A153-S155 VanDerWaalsContact C-N 3.35Å; S155-M157 VanDerWaalsContact C-N 3.32Å; S155-M157 PolarHBondContact O-N 3.47Å; S155-F158 PolarHBondContact O-N 3.05Å; S155-D159 PolarHBondContact O-N 3.02Å; S155-D189 WeakPolarHBondContact CB-OD2 3.38Å; S155-D189 VanDerWaalsContact OG-CG 3.24Å; S155-D189 PolarHBondContact OG-OD1 2.93Å; S155-D189 VanDerWaalsContact OG-OD1 3.06Å; S155-D189 PolarHBondContact OG-OD2 3.16Å; S155-L191 WeakPolarHBondContact OG-CB 3.41Å |
| 156 | S | 85.8 | Confident | 87.9 | Confident | 11 Ų | 11 | 25.1 Ų | 25.1 | 8% | 0.077 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.4 | -37 | 175.5 | 168.9 | 0 | 0 | 0 | 0 | 112.8 | S152 A153 F158 D159 S160 E319 | S152-S156 PolarHBondContact O-N 3.34Å; A153-S156 PolarHBondContact O-N 2.85Å; S156-F158 VanDerWaalsContact C-N 3.34Å; S156-F158 PolarHBondContact O-N 3Å; S156-D159 PolarHBondContact O-N 2.89Å; S156-S160 WeakPolarHBondContact O-CB 3.44Å; S156-S160 PolarHBondContact O-N 3.41Å; S156-E319 WeakPolarHBondContact OG-CB 3.24Å; S156-E319 PolarHBondContact OG-OE2 2.9Å |
| 157 | M | 86.7 | Confident | 87.2 | Confident | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.025 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.5 | -39.3 | 173.1 | -68.3 | -53.6 | 95.3 | 0 | 0 | 112.6 | V73 A153 L154 S155 L161 E319 M323 L346 | V73-M157 HydrophobicContact CG2-CE 4.31Å; A153-M157 WeakPolarHBondContact O-CG 3.48Å; A153-M157 PolarHBondContact O-N 3.43Å; L154-M157 PolarHBondContact O-N 3.21Å; S155-M157 VanDerWaalsContact C-N 3.32Å; S155-M157 PolarHBondContact O-N 3.47Å; M157-L161 WeakPolarHBondContact O-CB 3.31Å; M157-L161 PolarHBondContact O-N 3.07Å; M157-E319 WeakPolarHBondContact CE-O 3.25Å; M157-M323 HydrophobicContact SD-SD 3.69Å; M157-M323 VanDerWaalsContact SD-SD 3.69Å; M157-L346 HydrophobicContact CB-CD1 4.39Å; M157-L346 HydrophobicContact CG-CD1 3.29Å; M157-L346 HydrophobicContact SD-CD1 4.39Å |
| 158 | F | 89 | Confident | 86.6 | Confident | 76 Ų | 76 | 32.3 Ų | 32.3 | 33% | 0.333 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.5 | -35.4 | 175.6 | -74.8 | -59.2 | 0 | 0 | 0 | 112.3 | L154 S155 S156 L161 A162 L191 I195 V343 | L154-F158 HydrophobicContact CD1-CD2 4.38Å; L154-F158 HydrophobicContact CD1-CE2 3.86Å; L154-F158 HydrophobicContact CD1-CZ 4.4Å; L154-F158 HydrophobicContact CD2-CE2 4.35Å; L154-F158 HydrophobicContact CG-CD2 4.22Å; L154-F158 HydrophobicContact CG-CE2 3.78Å; L154-F158 WeakPolarHBondContact O-CD2 3.44Å; L154-F158 PolarHBondContact O-N 3.17Å; S155-F158 PolarHBondContact O-N 3.05Å; S156-F158 VanDerWaalsContact C-N 3.34Å; S156-F158 PolarHBondContact O-N 3Å; F158-L161 PolarHBondContact O-N 2.75Å; F158-A162 VanDerWaalsContact O-CB 3.31Å; F158-A162 WeakPolarHBondContact O-CB 3.12Å; F158-A162 PolarHBondContact O-N 3.33Å; F158-L191 HydrophobicContact CB-CD2 4Å; F158-I195 HydrophobicContact CD2-CD1 4.21Å; F158-I195 HydrophobicContact CE2-CD1 4.34Å; F158-V343 HydrophobicContact CE1-CG2 4.23Å; F158-V343 HydrophobicContact CZ-CG1 4.45Å; F158-V343 HydrophobicContact CZ-CG2 4.18Å |
| 159 | D | 86.5 | Confident | 86.2 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.2 | -42.2 | 175.3 | -169.5 | 51.2 | 0 | 0 | 0 | 112.5 | S155 S156 L161 A162 N163 H164 T165 I166 S167 | S155-D159 PolarHBondContact O-N 3.02Å; S156-D159 PolarHBondContact O-N 2.89Å; D159-L161 VanDerWaalsContact C-N 3.31Å; D159-L161 PolarHBondContact O-N 2.71Å; D159-A162 CarbonylContact O-C 3.43Å; D159-A162 VanDerWaalsContact O-C 3.24Å; D159-A162 WeakPolarHBondContact O-CA 3.03Å; D159-A162 PolarHBondContact O-N 2.91Å; D159-N163 PolarHBondContact O-N 3.08Å; D159-H164 PolarHBondContact O-N 2.79Å; D159-H164 VanDerWaalsContact OD1-C 3.32Å; D159-H164 VanDerWaalsContact OD1-CA 3.3Å; D159-H164 WeakPolarHBondContact OD1-CA 3.1Å; D159-H164 WeakPolarHBondContact OD2-CA 3.35Å; D159-H164 IonicContact OD2-CE1 2.97Å; D159-H164 IonicContact OD2-CG 3.2Å; D159-H164 IonicContact OD2-ND1 2.77Å; D159-H164 PolarHBondContact OD2-ND1 3.34Å; D159-T165 PolarHBondContact OD1-N 3.44Å; D159-I166 HydrophobicContact CB-CB 4.39Å; D159-I166 WeakPolarHBondContact OD1-CA 3.36Å; D159-I166 VanDerWaalsContact OD1-CB 3.24Å; D159-I166 WeakPolarHBondContact OD1-CB 3.29Å; D159-I166 PolarHBondContact OD1-N 3.36Å; D159-S167 PolarHBondContact OD1-N 3.15Å; D159-S167 PolarHBondContact OD1-OG 2.97Å; D159-S167 WeakPolarHBondContact OD2-CB 3.11Å; D159-S167 PolarHBondContact OD2-OG 3.42Å |
| 160 | S | 84.2 | Confident | 85.7 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -36.4 | 171.6 | 169.5 | 0 | 0 | 0 | 0 | 112.6 | S156 A162 N163 S320 K335 | S156-S160 WeakPolarHBondContact O-CB 3.44Å; S156-S160 PolarHBondContact O-N 3.41Å; S160-A162 VanDerWaalsContact C-N 3.32Å; S160-N163 PolarHBondContact O-N 3.47Å; S160-S320 WeakPolarHBondContact CB-OG 3.42Å; S160-S320 VanDerWaalsContact OG-CB 3.29Å; S160-S320 WeakPolarHBondContact OG-CB 3.3Å; S160-S320 PolarHBondContact OG-OG 2.96Å; S160-K335 PolarHBondContact O-NZ 3.42Å |
| 161 | L | 86 | Confident | 85.1 | Confident | 68 Ų | 68 | 41.7 Ų | 41.7 | 36% | 0.356 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -70.2 | -29.8 | 172.5 | -168.5 | 63.9 | 0 | 0 | 0 | 112.2 | M157 F158 D159 N163 F336 A339 | M157-L161 WeakPolarHBondContact O-CB 3.31Å; M157-L161 PolarHBondContact O-N 3.07Å; F158-L161 PolarHBondContact O-N 2.75Å; D159-L161 VanDerWaalsContact C-N 3.31Å; D159-L161 PolarHBondContact O-N 2.71Å; L161-N163 VanDerWaalsContact C-N 3.31Å; L161-F336 HydrophobicContact CD1-CD1 4.27Å; L161-F336 HydrophobicContact CD1-CE1 4.11Å; L161-A339 HydrophobicContact CD1-CB 4.35Å |
| 162 | A | 85.6 | Confident | 84.5 | Confident | 35 Ų | 35 | 48.4 Ų | 48.4 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 11.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | F158 D159 S160 H164 T165 I166 | F158-A162 VanDerWaalsContact O-CB 3.31Å; F158-A162 WeakPolarHBondContact O-CB 3.12Å; F158-A162 PolarHBondContact O-N 3.33Å; D159-A162 CarbonylContact O-C 3.43Å; D159-A162 VanDerWaalsContact O-C 3.24Å; D159-A162 WeakPolarHBondContact O-CA 3.03Å; D159-A162 PolarHBondContact O-N 2.91Å; S160-A162 VanDerWaalsContact C-N 3.32Å; A162-H164 VanDerWaalsContact C-N 3.33Å; A162-H164 PolarHBondContact O-N 2.94Å; A162-T165 VanDerWaalsContact O-CB 3.29Å; A162-T165 WeakPolarHBondContact O-CB 3.34Å; A162-T165 PolarHBondContact O-N 2.85Å; A162-T165 PolarHBondContact O-OG1 3.45Å; A162-I166 HydrophobicContact CB-CD1 4.14Å; A162-I166 HydrophobicContact CB-CG1 4.01Å |
| 163 | N | 82.8 | Confident | 84.1 | Confident | 108 Ų | 108 | 51.1 Ų | 51.1 | 58% | 0.578 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 46.8 | -177.2 | -56.2 | -47.5 | 0 | 0 | 0 | 113.4 | D159 S160 L161 T165 R168 | D159-N163 PolarHBondContact O-N 3.08Å; S160-N163 PolarHBondContact O-N 3.47Å; L161-N163 VanDerWaalsContact C-N 3.31Å; N163-T165 VanDerWaalsContact C-N 3.33Å; N163-T165 PolarHBondContact O-N 2.96Å; N163-R168 PolarHBondContact O-NH1 2.92Å; N163-R168 PolarHBondContact O-NH2 2.73Å |
| 164 | H | 81.8 | Confident | 83.3 | Confident | 60 Ų | 60 | 54.9 Ų | 54.9 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 35.5 | -179.4 | -59.1 | -67.8 | 0 | 0 | 0 | 115.4 | D159 A162 S167 R168 E319 | D159-H164 PolarHBondContact O-N 2.79Å; D159-H164 VanDerWaalsContact OD1-C 3.32Å; D159-H164 VanDerWaalsContact OD1-CA 3.3Å; D159-H164 WeakPolarHBondContact OD1-CA 3.1Å; D159-H164 WeakPolarHBondContact OD2-CA 3.35Å; D159-H164 IonicContact OD2-CE1 2.97Å; D159-H164 IonicContact OD2-CG 3.2Å; D159-H164 IonicContact OD2-ND1 2.77Å; D159-H164 PolarHBondContact OD2-ND1 3.34Å; A162-H164 VanDerWaalsContact C-N 3.33Å; A162-H164 PolarHBondContact O-N 2.94Å; H164-S167 PolarHBondContact O-OG 2.92Å; H164-R168 VanDerWaalsContact O-CG 3.28Å; H164-R168 WeakPolarHBondContact O-CG 3.46Å; H164-R168 PolarHBondContact O-NE 3.04Å; H164-R168 PolarHBondContact O-NH1 3.23Å; H164-R168 PolarHBondContact O-NH2 2.98Å; H164-E319 IonicContact CE1-OE2 3.91Å |
| 165 | T | 84 | Confident | 82.4 | Confident | 81 Ų | 81 | 55.8 Ų | 55.8 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -86.3 | -27.4 | -179.7 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | D159 A162 N163 W169 | D159-T165 PolarHBondContact OD1-N 3.44Å; A162-T165 VanDerWaalsContact O-CB 3.29Å; A162-T165 WeakPolarHBondContact O-CB 3.34Å; A162-T165 PolarHBondContact O-N 2.85Å; A162-T165 PolarHBondContact O-OG1 3.45Å; N163-T165 VanDerWaalsContact C-N 3.33Å; N163-T165 PolarHBondContact O-N 2.96Å; T165-W169 WeakPolarHBondContact O-CB 3.34Å; T165-W169 PolarHBondContact O-N 3.35Å |
| 166 | I | 81.8 | Confident | 81.3 | Confident | 55 Ų | 55 | 59 Ų | 59 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -76.8 | -46.6 | -178.9 | -49.3 | 177.6 | 0 | 0 | 0 | 109.1 | D159 A162 R168 W169 M170 L191 | D159-I166 HydrophobicContact CB-CB 4.39Å; D159-I166 WeakPolarHBondContact OD1-CA 3.36Å; D159-I166 VanDerWaalsContact OD1-CB 3.24Å; D159-I166 WeakPolarHBondContact OD1-CB 3.29Å; D159-I166 PolarHBondContact OD1-N 3.36Å; A162-I166 HydrophobicContact CB-CD1 4.14Å; A162-I166 HydrophobicContact CB-CG1 4.01Å; I166-R168 PolarHBondContact O-N 3.04Å; I166-W169 PolarHBondContact O-N 2.92Å; I166-M170 HydrophobicContact CG2-CG 4.4Å; I166-M170 WeakPolarHBondContact O-CB 3.26Å; I166-M170 VanDerWaalsContact O-CG 3.28Å; I166-M170 WeakPolarHBondContact O-CG 3.47Å; I166-M170 PolarHBondContact O-N 2.72Å; I166-L191 HydrophobicContact CD1-CD2 3.93Å; I166-L191 HydrophobicContact CG2-CD2 4.47Å |
| 167 | S | 76.8 | Confident | 80.1 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.7 | -46.9 | 175.8 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | D159 H164 M170 A171 Y187 | D159-S167 PolarHBondContact OD1-N 3.15Å; D159-S167 PolarHBondContact OD1-OG 2.97Å; D159-S167 WeakPolarHBondContact OD2-CB 3.11Å; D159-S167 PolarHBondContact OD2-OG 3.42Å; H164-S167 PolarHBondContact O-OG 2.92Å; S167-M170 PolarHBondContact O-N 3.13Å; S167-A171 WeakPolarHBondContact O-CB 3.37Å; S167-A171 PolarHBondContact O-N 2.97Å; S167-Y187 WeakPolarHBondContact CB-OH 3.26Å |
| 168 | R | 80.4 | Confident | 78.6 | Confident | 135 Ų | 135 | 68.1 Ų | 68.1 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58 | -52.6 | 173.9 | -71.5 | -178.2 | -141.9 | 107.4 | 8.4 | 111.9 | N163 H164 I166 M170 A171 D172 | N163-R168 PolarHBondContact O-NH1 2.92Å; N163-R168 PolarHBondContact O-NH2 2.73Å; H164-R168 VanDerWaalsContact O-CG 3.28Å; H164-R168 WeakPolarHBondContact O-CG 3.46Å; H164-R168 PolarHBondContact O-NE 3.04Å; H164-R168 PolarHBondContact O-NH1 3.23Å; H164-R168 PolarHBondContact O-NH2 2.98Å; I166-R168 PolarHBondContact O-N 3.04Å; R168-M170 VanDerWaalsContact C-N 3.27Å; R168-M170 PolarHBondContact O-N 3.11Å; R168-A171 PolarHBondContact O-N 3.27Å; R168-D172 WeakPolarHBondContact O-CB 3.42Å; R168-D172 VanDerWaalsContact O-CG 3.31Å; R168-D172 PolarHBondContact O-N 3.15Å |
| 169 | W | 83.3 | Confident | 76.7 | Confident | 154 Ų | 154 | 68.1 Ų | 68.1 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61 | -37.1 | -179 | -178.9 | 79.3 | 0 | 0 | 0 | 112.6 | T165 I166 S173 | T165-W169 WeakPolarHBondContact O-CB 3.34Å; T165-W169 PolarHBondContact O-N 3.35Å; I166-W169 PolarHBondContact O-N 2.92Å; W169-S173 PolarHBondContact NE1-OG 3.26Å; W169-S173 WeakPolarHBondContact O-CB 3.47Å; W169-S173 PolarHBondContact O-N 3.41Å; W169-S173 PolarHBondContact O-OG 3.18Å |
| 170 | M | 80.4 | Confident | 74.9 | Confident | 7 Ų | 7 | 73.4 Ų | 73.4 | 3% | 0.034 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 175 | -77 | -58.8 | -61.5 | 0 | 0 | 112.4 | I166 S167 R168 S173 V174 Y187 P188 L190 | I166-M170 HydrophobicContact CG2-CG 4.4Å; I166-M170 WeakPolarHBondContact O-CB 3.26Å; I166-M170 VanDerWaalsContact O-CG 3.28Å; I166-M170 WeakPolarHBondContact O-CG 3.47Å; I166-M170 PolarHBondContact O-N 2.72Å; S167-M170 PolarHBondContact O-N 3.13Å; R168-M170 VanDerWaalsContact C-N 3.27Å; R168-M170 PolarHBondContact O-N 3.11Å; M170-S173 PolarHBondContact O-N 3.29Å; M170-V174 HydrophobicContact CE-CB 4.45Å; M170-V174 HydrophobicContact CE-CG2 3.79Å; M170-V174 WeakPolarHBondContact O-CB 3.12Å; M170-V174 PolarHBondContact O-N 3.4Å; M170-V174 HydrophobicContact SD-CG2 4.32Å; M170-Y187 HydrophobicContact CB-CD2 3.71Å; M170-Y187 HydrophobicContact CB-CE2 4.2Å; M170-Y187 HydrophobicContact CB-CG 4.2Å; M170-Y187 HydrophobicContact CG-CD2 4.35Å; M170-P188 WeakPolarHBondContact CE-O 3.39Å; M170-L190 HydrophobicContact CE-CB 3.89Å; M170-L190 HydrophobicContact CE-CD1 3.65Å; M170-L190 HydrophobicContact CE-CG 3.62Å; M170-L190 HydrophobicContact SD-CB 4.39Å; M170-L190 HydrophobicContact SD-CD1 4.14Å |
| 171 | A | 78 | Confident | 73 | Confident | 37 Ų | 37 | 74.1 Ų | 74.1 | 31% | 0.306 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S167 R168 S173 G175 | S167-A171 WeakPolarHBondContact O-CB 3.37Å; S167-A171 PolarHBondContact O-N 2.97Å; R168-A171 PolarHBondContact O-N 3.27Å; A171-S173 PolarHBondContact O-N 3Å; A171-G175 VanDerWaalsContact O-CA 3.31Å; A171-G175 WeakPolarHBondContact O-CA 3.49Å; A171-G175 PolarHBondContact O-N 2.66Å; A171-G175 VanDerWaalsContact O-N 3.08Å |
| 172 | D | 79.9 | Confident | 71.1 | Confident | 141 Ų | 141 | 72 Ų | 72 | 75% | 0.754 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.8 | -35.8 | 179.2 | -69.6 | -26.9 | 0 | 0 | 0 | 112.9 | R168 | R168-D172 WeakPolarHBondContact O-CB 3.42Å; R168-D172 VanDerWaalsContact O-CG 3.31Å; R168-D172 PolarHBondContact O-N 3.15Å |
| 173 | S | 81.2 | Confident | 69 | Low | 67 Ų | 67 | 72.8 Ų | 72.8 | 47% | 0.469 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -95.8 | -30.2 | -171.3 | -53.7 | 0 | 0 | 0 | 0 | 114.6 | W169 M170 A171 | W169-S173 PolarHBondContact NE1-OG 3.26Å; W169-S173 WeakPolarHBondContact O-CB 3.47Å; W169-S173 PolarHBondContact O-N 3.41Å; W169-S173 PolarHBondContact O-OG 3.18Å; M170-S173 PolarHBondContact O-N 3.29Å; A171-S173 PolarHBondContact O-N 3Å |
| 174 | V | 73.8 | Confident | 67.2 | Low | 78 Ų | 78 | 76.1 Ų | 76.1 | 47% | 0.473 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -115 | -21.5 | -174.1 | -166.8 | 0 | 0 | 0 | 0 | 112.3 | M170 P188 | M170-V174 HydrophobicContact CE-CB 4.45Å; M170-V174 HydrophobicContact CE-CG2 3.79Å; M170-V174 WeakPolarHBondContact O-CB 3.12Å; M170-V174 PolarHBondContact O-N 3.4Å; M170-V174 HydrophobicContact SD-CG2 4.32Å; V174-P188 HydrophobicContact CB-CG 4.25Å; V174-P188 HydrophobicContact CG1-CG 3.57Å |
| 175 | G | 71.1 | Confident | 65.6 | Low | 29 Ų | 29 | 81.9 Ų | 81.9 | 30% | 0.299 | 46% | 0.463 | S | S | . | . | trans | 79.1 | 172.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | A171 P188 | A171-G175 VanDerWaalsContact O-CA 3.31Å; A171-G175 WeakPolarHBondContact O-CA 3.49Å; A171-G175 PolarHBondContact O-N 2.66Å; A171-G175 VanDerWaalsContact O-N 3.08Å; G175-P188 WeakPolarHBondContact O-CD 3.31Å | ||
| 176 | T | 68.7 | Low | 64.4 | Low | 70 Ų | 70 | 79.5 Ų | 79.5 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | trans | -87.4 | 144.4 | 176.6 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | S186 | T176-S186 WeakPolarHBondContact CA-O 3.45Š| ||
| 177 | L | 60.3 | Low | 63.8 | Low | 88 Ų | 88 | 78.9 Ų | 78.9 | 46% | 0.461 | 44% | 0.444 | S | S | . | . | trans | -112.5 | 92.4 | -178.2 | -84.8 | 169.5 | 0 | 0 | 0 | 111.3 | S186 P188 | L177-S186 PolarHBondContact N-O 2.8Å; L177-P188 HydrophobicContact CD1-CB 3.89Å; L177-P188 HydrophobicContact CD1-CG 3.88Å | ||
| 178 | N | 54.7 | Low | 64 | Low | 119 Ų | 119 | 78.3 Ų | 78.3 | 64% | 0.636 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 131.9 | 178.6 | -70.1 | -8.1 | 0 | 0 | 0 | 112 | ||
| 179 | G | 49.7 | Very low | 64.3 | Low | 75 Ų | 75 | 72.6 Ų | 72.6 | 77% | 0.773 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.2 | -1.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 180 | L | 49.2 | Very low | 64.6 | Low | 114 Ų | 114 | 69.2 Ų | 69.2 | 60% | 0.597 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -108.1 | 22.2 | -174 | -119.6 | 168.6 | 0 | 0 | 0 | 115.5 | L401 | L180-L401 HydrophobicContact CD1-CD1 4.42Š|
| 181 | G | 43.1 | Very low | 65 | Low | 16 Ų | 16 | 70.9 Ų | 70.9 | 17% | 0.165 | 42% | 0.421 | C | S | . | . | S | Bend | trans | 91.5 | 39.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S403 | G181-S403 PolarHBondContact O-N 3.3Å; G181-S403 VanDerWaalsContact O-N 3.11Å |
| 182 | K | 45.8 | Very low | 65.6 | Low | 24 Ų | 24 | 69.1 Ų | 69.1 | 10% | 0.104 | 41% | 0.406 | C | S | . | . | trans | -146.9 | 132.4 | 174.6 | -99.6 | 179.7 | 178.7 | 171.7 | 0 | 107 | S186 Y187 L400 L401 V402 | K182-S186 WeakPolarHBondContact CD-OG 2.93Å; K182-S186 WeakPolarHBondContact CE-OG 3.36Å; K182-S186 WeakPolarHBondContact CG-OG 3.39Å; K182-Y187 PolarHBondContact NZ-O 2.83Å; K182-L400 PolarHBondContact NZ-O 2.85Å; K182-L401 WeakPolarHBondContact CD-O 3.45Å; K182-V402 VanDerWaalsContact CE-O 3.31Å; K182-V402 WeakPolarHBondContact CE-O 3.4Å | ||
| 183 | G | 43.2 | Very low | 66.2 | Low | 52 Ų | 52 | 64.8 Ų | 64.8 | 54% | 0.536 | 38% | 0.383 | S | S | . | . | trans | -74.7 | -178.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E185 S186 | G183-E185 PolarHBondContact O-N 3.44Å; G183-S186 PolarHBondContact O-N 2.83Å | ||
| 184 | E | 43.8 | Very low | 66.8 | Low | 178 Ų | 178 | 66.1 Ų | 66.1 | 83% | 0.832 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -7.6 | -165.6 | -65.7 | 176.5 | 107.3 | 0 | 0 | 116.6 | ||
| 185 | E | 49.1 | Very low | 67.7 | Low | 181 Ų | 181 | 63.1 Ų | 63.1 | 85% | 0.846 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.6 | 9 | -176.5 | -59.9 | -168.5 | 146.5 | 0 | 0 | 114.9 | G183 | G183-E185 PolarHBondContact O-N 3.44Š|
| 186 | S | 58.7 | Low | 68.8 | Low | 31 Ų | 31 | 61.8 Ų | 61.8 | 22% | 0.217 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -100.2 | 137 | -166.7 | -152.2 | 0 | 0 | 0 | 0 | 115.4 | T176 L177 K182 G183 | T176-S186 WeakPolarHBondContact CA-O 3.45Å; L177-S186 PolarHBondContact N-O 2.8Å; K182-S186 WeakPolarHBondContact CD-OG 2.93Å; K182-S186 WeakPolarHBondContact CE-OG 3.36Å; K182-S186 WeakPolarHBondContact CG-OG 3.39Å; G183-S186 PolarHBondContact O-N 2.83Å |
| 187 | Y | 69.4 | Low | 70 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 16% | 0.161 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -96.2 | 155.5 | -178.1 | 60.6 | -87.9 | 0 | 0 | 0 | 112.3 | S167 M170 K182 D189 | S167-Y187 WeakPolarHBondContact CB-OH 3.26Å; M170-Y187 HydrophobicContact CB-CD2 3.71Å; M170-Y187 HydrophobicContact CB-CE2 4.2Å; M170-Y187 HydrophobicContact CB-CG 4.2Å; M170-Y187 HydrophobicContact CG-CD2 4.35Å; K182-Y187 PolarHBondContact NZ-O 2.83Å; Y187-D189 HydrophobicContact CE2-CB 4.4Å |
| 188 | P | 81.2 | Confident | 71.4 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -70 | 128.1 | 169.7 | 26.2 | -30.9 | 0 | 0 | 0 | 111 | M170 V174 G175 L177 L190 L400 | M170-P188 WeakPolarHBondContact CE-O 3.39Å; V174-P188 HydrophobicContact CB-CG 4.25Å; V174-P188 HydrophobicContact CG1-CG 3.57Å; G175-P188 WeakPolarHBondContact O-CD 3.31Å; L177-P188 HydrophobicContact CD1-CB 3.89Å; L177-P188 HydrophobicContact CD1-CG 3.88Å; P188-L190 PolarHBondContact O-N 3.13Å; P188-L400 WeakPolarHBondContact CA-O 3.49Å; P188-L400 HydrophobicContact CB-CD1 3.83Å; P188-L400 HydrophobicContact CB-CG 4.13Å |
| 189 | D | 85.8 | Confident | 73.1 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | trans | -90.8 | 94.8 | -176.4 | -168.5 | -15.1 | 0 | 0 | 0 | 113 | S155 Y187 L191 A192 L193 L400 | S155-D189 WeakPolarHBondContact CB-OD2 3.38Å; S155-D189 VanDerWaalsContact OG-CG 3.24Å; S155-D189 PolarHBondContact OG-OD1 2.93Å; S155-D189 VanDerWaalsContact OG-OD1 3.06Å; S155-D189 PolarHBondContact OG-OD2 3.16Å; Y187-D189 HydrophobicContact CE2-CB 4.4Å; D189-L191 VanDerWaalsContact C-N 3.32Å; D189-L191 WeakPolarHBondContact OD1-CA 3.47Å; D189-L191 WeakPolarHBondContact OD1-CB 3.26Å; D189-L191 PolarHBondContact OD1-N 3.27Å; D189-A192 HydrophobicContact CB-CB 3.97Å; D189-A192 VanDerWaalsContact CG-CB 3.42Å; D189-A192 PolarHBondContact OD1-N 3.12Å; D189-A192 WeakPolarHBondContact OD2-CB 3.45Å; D189-L193 PolarHBondContact O-N 3.47Å; D189-L400 PolarHBondContact N-O 3Å; D189-L400 VanDerWaalsContact N-O 3.1Å; D189-L400 WeakPolarHBondContact O-CD1 3.2Å | ||
| 190 | L | 88.6 | Confident | 75 | Confident | 84 Ų | 84 | 52.2 Ų | 52.2 | 44% | 0.44 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.4 | -24.8 | 175.2 | -71.6 | 177.3 | 0 | 0 | 0 | 113.4 | M170 P188 L194 L400 | M170-L190 HydrophobicContact CE-CB 3.89Å; M170-L190 HydrophobicContact CE-CD1 3.65Å; M170-L190 HydrophobicContact CE-CG 3.62Å; M170-L190 HydrophobicContact SD-CB 4.39Å; M170-L190 HydrophobicContact SD-CD1 4.14Å; P188-L190 PolarHBondContact O-N 3.13Å; L190-L194 WeakPolarHBondContact O-CB 3.43Å; L190-L194 PolarHBondContact O-N 3.35Å; L190-L400 HydrophobicContact CD2-CD1 3.77Å; L190-L400 HydrophobicContact CG-CD1 4.25Å |
| 191 | L | 89.9 | Confident | 76.9 | Confident | 41 Ų | 41 | 51.2 Ų | 51.2 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -76 | -42.8 | 179.4 | 175.8 | 59.7 | 0 | 0 | 0 | 110.2 | S155 F158 I166 D189 L193 L194 I195 | S155-L191 WeakPolarHBondContact OG-CB 3.41Å; F158-L191 HydrophobicContact CB-CD2 4Å; I166-L191 HydrophobicContact CD1-CD2 3.93Å; I166-L191 HydrophobicContact CG2-CD2 4.47Å; D189-L191 VanDerWaalsContact C-N 3.32Å; D189-L191 WeakPolarHBondContact OD1-CA 3.47Å; D189-L191 WeakPolarHBondContact OD1-CB 3.26Å; D189-L191 PolarHBondContact OD1-N 3.27Å; L191-L193 VanDerWaalsContact C-N 3.34Å; L191-L193 PolarHBondContact O-N 3.22Å; L191-L194 PolarHBondContact O-N 3.3Å; L191-I195 HydrophobicContact CD1-CD1 4.11Å; L191-I195 HydrophobicContact CD1-CG1 4.38Å; L191-I195 HydrophobicContact CG-CD1 3.96Å; L191-I195 WeakPolarHBondContact O-CB 3.46Å; L191-I195 WeakPolarHBondContact O-CD1 3.49Å; L191-I195 VanDerWaalsContact O-CG1 3.26Å; L191-I195 WeakPolarHBondContact O-CG1 3.3Å; L191-I195 PolarHBondContact O-N 3.19Å |
| 192 | A | 90.8 | Very high | 78.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A151 D189 I195 A196 A399 | A151-A192 HydrophobicContact CB-CB 4.41Å; D189-A192 HydrophobicContact CB-CB 3.97Å; D189-A192 VanDerWaalsContact CG-CB 3.42Å; D189-A192 PolarHBondContact OD1-N 3.12Å; D189-A192 WeakPolarHBondContact OD2-CB 3.45Å; A192-I195 PolarHBondContact O-N 3.18Å; A192-A196 WeakPolarHBondContact O-CB 3.38Å; A192-A196 PolarHBondContact O-N 3Å; A192-A399 HydrophobicContact CB-CB 3.94Å |
| 193 | L | 92.9 | Very high | 80.7 | Confident | 50 Ų | 50 | 53.1 Ų | 53.1 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 172.8 | 179.7 | 151.2 | 0 | 0 | 0 | 111.5 | D189 L191 A196 V197 A396 L400 | D189-L193 PolarHBondContact O-N 3.47Å; L191-L193 VanDerWaalsContact C-N 3.34Å; L191-L193 PolarHBondContact O-N 3.22Å; L193-A196 PolarHBondContact O-N 3.4Å; L193-V197 HydrophobicContact CD2-CG2 4.4Å; L193-V197 WeakPolarHBondContact O-CG2 3.25Å; L193-V197 PolarHBondContact O-N 2.69Å; L193-A396 HydrophobicContact CG-CB 4.21Å; L193-L400 HydrophobicContact CB-CB 4.43Å; L193-L400 HydrophobicContact CB-CD1 4.44Å; L193-L400 HydrophobicContact CD1-CB 4.1Å; L193-L400 HydrophobicContact CD1-CD1 4.17Å; L193-L400 HydrophobicContact CD1-CD2 3.9Å; L193-L400 HydrophobicContact CD1-CG 4.29Å |
| 194 | L | 93.3 | Very high | 82.6 | Confident | 95 Ų | 95 | 51.2 Ų | 51.2 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 178.6 | 179.2 | 61.2 | 0 | 0 | 0 | 111.8 | L190 L191 V197 I198 | L190-L194 WeakPolarHBondContact O-CB 3.43Å; L190-L194 PolarHBondContact O-N 3.35Å; L191-L194 PolarHBondContact O-N 3.3Å; L194-V197 PolarHBondContact O-N 3.26Å; L194-I198 HydrophobicContact CD1-CD1 3.94Å; L194-I198 HydrophobicContact CD1-CG1 4.29Å; L194-I198 HydrophobicContact CG-CD1 3.87Å; L194-I198 VanDerWaalsContact O-CG1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.31Å; L194-I198 PolarHBondContact O-N 3.12Å |
| 195 | I | 93.3 | Very high | 84.3 | Confident | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.9 | -50.4 | 175.4 | -74.1 | 164.5 | 0 | 0 | 0 | 110.8 | A151 L154 F158 L191 A192 V197 I198 V199 L350 | A151-I195 HydrophobicContact CB-CB 4.39Å; A151-I195 HydrophobicContact CB-CG2 3.86Å; L154-I195 HydrophobicContact CB-CD1 4.29Å; L154-I195 HydrophobicContact CD2-CD1 4.32Å; L154-I195 HydrophobicContact CD2-CG2 3.91Å; L154-I195 HydrophobicContact CG-CD1 4.08Å; F158-I195 HydrophobicContact CD2-CD1 4.21Å; F158-I195 HydrophobicContact CE2-CD1 4.34Å; L191-I195 HydrophobicContact CD1-CD1 4.11Å; L191-I195 HydrophobicContact CD1-CG1 4.38Å; L191-I195 HydrophobicContact CG-CD1 3.96Å; L191-I195 WeakPolarHBondContact O-CB 3.46Å; L191-I195 WeakPolarHBondContact O-CD1 3.49Å; L191-I195 VanDerWaalsContact O-CG1 3.26Å; L191-I195 WeakPolarHBondContact O-CG1 3.3Å; L191-I195 PolarHBondContact O-N 3.19Å; A192-I195 PolarHBondContact O-N 3.18Å; I195-V197 VanDerWaalsContact C-N 3.35Å; I195-V197 PolarHBondContact O-N 3.13Å; I195-I198 PolarHBondContact O-N 3.25Å; I195-V199 WeakPolarHBondContact O-CG2 3.45Å; I195-V199 PolarHBondContact O-N 3.12Å; I195-L350 HydrophobicContact CG2-CD2 3.64Å |
| 196 | A | 92.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -40.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A151 A192 L193 T200 A396 | A151-A196 HydrophobicContact CB-CB 3.93Å; A192-A196 WeakPolarHBondContact O-CB 3.38Å; A192-A196 PolarHBondContact O-N 3Å; L193-A196 PolarHBondContact O-N 3.4Å; A196-T200 WeakPolarHBondContact O-CB 3.24Å; A196-T200 PolarHBondContact O-N 3.49Å; A196-T200 PolarHBondContact O-OG1 3.45Å; A196-A396 HydrophobicContact CB-CB 3.61Å |
| 197 | V | 93.5 | Very high | 85.4 | Confident | 50 Ų | 50 | 40.5 Ų | 40.5 | 30% | 0.303 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.4 | -44.2 | 175.1 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | L193 L194 I195 V199 T200 I201 A396 | L193-V197 HydrophobicContact CD2-CG2 4.4Å; L193-V197 WeakPolarHBondContact O-CG2 3.25Å; L193-V197 PolarHBondContact O-N 2.69Å; L194-V197 PolarHBondContact O-N 3.26Å; I195-V197 VanDerWaalsContact C-N 3.35Å; I195-V197 PolarHBondContact O-N 3.13Å; V197-V199 PolarHBondContact O-N 2.95Å; V197-T200 WeakPolarHBondContact O-CB 3.37Å; V197-T200 PolarHBondContact O-N 3.17Å; V197-I201 HydrophobicContact CG1-CD1 4Å; V197-I201 WeakPolarHBondContact O-CG1 3.35Å; V197-I201 PolarHBondContact O-N 2.9Å; V197-A396 HydrophobicContact CG2-CB 3.96Å |
| 198 | I | 91.4 | Very high | 85.1 | Confident | 81 Ų | 81 | 44.7 Ų | 44.7 | 42% | 0.415 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.2 | -47.1 | 177.6 | -72.1 | 167.3 | 0 | 0 | 0 | 110.9 | L194 I195 T200 I201 I202 | L194-I198 HydrophobicContact CD1-CD1 3.94Å; L194-I198 HydrophobicContact CD1-CG1 4.29Å; L194-I198 HydrophobicContact CG-CD1 3.87Å; L194-I198 VanDerWaalsContact O-CG1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.31Å; L194-I198 PolarHBondContact O-N 3.12Å; I195-I198 PolarHBondContact O-N 3.25Å; I198-T200 VanDerWaalsContact C-N 3.33Å; I198-T200 PolarHBondContact O-N 2.85Å; I198-I201 PolarHBondContact O-N 3.11Å; I198-I202 HydrophobicContact CG2-CD1 3.96Å; I198-I202 WeakPolarHBondContact O-CG1 3.27Å; I198-I202 PolarHBondContact O-N 3.04Å |
| 199 | V | 88.8 | Confident | 84.4 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.8 | -31.7 | -180 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | I195 V197 I201 I202 V203 L350 L351 L354 | I195-V199 WeakPolarHBondContact O-CG2 3.45Å; I195-V199 PolarHBondContact O-N 3.12Å; V197-V199 PolarHBondContact O-N 2.95Å; V199-I201 PolarHBondContact O-N 2.81Å; V199-I202 PolarHBondContact O-N 2.99Å; V199-V203 HydrophobicContact CG1-CG2 4.44Å; V199-V203 WeakPolarHBondContact O-CG2 3.37Å; V199-V203 PolarHBondContact O-N 3.36Å; V199-L350 HydrophobicContact CB-CD2 4.29Å; V199-L350 HydrophobicContact CB-CG 4.37Å; V199-L350 HydrophobicContact CG1-CG 4.19Å; V199-L350 HydrophobicContact CG2-CD2 3.78Å; V199-L350 HydrophobicContact CG2-CG 4.29Å; V199-L351 HydrophobicContact CG1-CD2 3.52Å; V199-L351 HydrophobicContact CG1-CG 3.94Å; V199-L354 HydrophobicContact CB-CD2 4.4Å; V199-L354 HydrophobicContact CG1-CD2 3.99Å |
| 200 | T | 90.5 | Very high | 83.8 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 169.6 | -57.4 | 0 | 0 | 0 | 0 | 112 | A196 V197 I198 V203 A204 G392 | A196-T200 WeakPolarHBondContact O-CB 3.24Å; A196-T200 PolarHBondContact O-N 3.49Å; A196-T200 PolarHBondContact O-OG1 3.45Å; V197-T200 WeakPolarHBondContact O-CB 3.37Å; V197-T200 PolarHBondContact O-N 3.17Å; I198-T200 VanDerWaalsContact C-N 3.33Å; I198-T200 PolarHBondContact O-N 2.85Å; T200-V203 PolarHBondContact O-N 2.84Å; T200-A204 VanDerWaalsContact O-CB 3.26Å; T200-A204 WeakPolarHBondContact O-CB 3.42Å; T200-A204 PolarHBondContact O-N 2.95Å; T200-G392 WeakPolarHBondContact OG1-CA 3.46Å |
| 201 | I | 88.3 | Confident | 83.1 | Confident | 93 Ų | 93 | 47.9 Ų | 47.9 | 48% | 0.477 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 175.9 | -66.8 | 163.2 | 0 | 0 | 0 | 110.7 | V197 I198 V199 V203 A204 L205 | V197-I201 HydrophobicContact CG1-CD1 4Å; V197-I201 WeakPolarHBondContact O-CG1 3.35Å; V197-I201 PolarHBondContact O-N 2.9Å; I198-I201 PolarHBondContact O-N 3.11Å; V199-I201 PolarHBondContact O-N 2.81Å; I201-V203 PolarHBondContact O-N 3.02Å; I201-A204 PolarHBondContact O-N 2.98Å; I201-L205 HydrophobicContact CG2-CD1 3.85Å; I201-L205 HydrophobicContact CG2-CG 4.38Å; I201-L205 WeakPolarHBondContact O-CB 3.47Å; I201-L205 VanDerWaalsContact O-CG 3.26Å; I201-L205 WeakPolarHBondContact O-CG 3.34Å; I201-L205 PolarHBondContact O-N 3.36Å |
| 202 | I | 85 | Confident | 82.6 | Confident | 69 Ų | 69 | 47.9 Ų | 47.9 | 35% | 0.354 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60 | -46.8 | 177.6 | -68.2 | 166.4 | 0 | 0 | 0 | 111.4 | I198 V199 L205 | I198-I202 HydrophobicContact CG2-CD1 3.96Å; I198-I202 WeakPolarHBondContact O-CG1 3.27Å; I198-I202 PolarHBondContact O-N 3.04Å; V199-I202 PolarHBondContact O-N 2.99Å; I202-L205 PolarHBondContact O-N 2.97Å |
| 203 | V | 83.8 | Confident | 82.3 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.2 | -38.1 | 178.9 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | V199 T200 I201 L205 G206 L351 L354 | V199-V203 HydrophobicContact CG1-CG2 4.44Å; V199-V203 WeakPolarHBondContact O-CG2 3.37Å; V199-V203 PolarHBondContact O-N 3.36Å; T200-V203 PolarHBondContact O-N 2.84Å; I201-V203 PolarHBondContact O-N 3.02Å; V203-L205 VanDerWaalsContact C-N 3.31Å; V203-L205 PolarHBondContact O-N 3.18Å; V203-G206 PolarHBondContact O-N 2.91Å; V203-L351 HydrophobicContact CG2-CD2 3.73Å; V203-L354 HydrophobicContact CB-CD2 4.36Å; V203-L354 HydrophobicContact CB-CG 4.41Å; V203-L354 HydrophobicContact CG2-CD2 4.02Å; V203-L354 HydrophobicContact CG2-CG 4.13Å |
| 204 | A | 83 | Confident | 81.9 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 11% | 0.107 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.2 | -32.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T200 I201 V385 | T200-A204 VanDerWaalsContact O-CB 3.26Å; T200-A204 WeakPolarHBondContact O-CB 3.42Å; T200-A204 PolarHBondContact O-N 2.95Å; I201-A204 PolarHBondContact O-N 2.98Å; A204-V385 HydrophobicContact CB-CG1 4.42Å |
| 205 | L | 79.9 | Confident | 81.6 | Confident | 130 Ų | 130 | 47.8 Ų | 47.8 | 68% | 0.681 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -74.9 | -18.7 | -178.4 | -75.3 | 169.9 | 0 | 0 | 0 | 114.8 | I201 I202 V203 | I201-L205 HydrophobicContact CG2-CD1 3.85Å; I201-L205 HydrophobicContact CG2-CG 4.38Å; I201-L205 WeakPolarHBondContact O-CB 3.47Å; I201-L205 VanDerWaalsContact O-CG 3.26Å; I201-L205 WeakPolarHBondContact O-CG 3.34Å; I201-L205 PolarHBondContact O-N 3.36Å; I202-L205 PolarHBondContact O-N 2.97Å; V203-L205 VanDerWaalsContact C-N 3.31Å; V203-L205 PolarHBondContact O-N 3.18Å |
| 206 | G | 69.6 | Low | 81.5 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | trans | 143.6 | 139.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | V203 K208 | V203-G206 PolarHBondContact O-N 2.91Å; G206-K208 PolarHBondContact O-N 3.1Å | ||
| 207 | V | 62.2 | Low | 81.5 | Confident | 19 Ų | 19 | 53.1 Ų | 53.1 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | -173.9 | 169.4 | 0 | 0 | 0 | 0 | 114 | N209 S210 V211 F355 T383 | V207-N209 VanDerWaalsContact C-N 3.28Å; V207-N209 PolarHBondContact O-N 3.27Å; V207-S210 PolarHBondContact O-N 3.47Å; V207-V211 HydrophobicContact CG1-CG2 4.03Å; V207-V211 PolarHBondContact O-N 3.1Å; V207-F355 HydrophobicContact CB-CE2 4.27Å; V207-F355 HydrophobicContact CG1-CE2 3.71Å; V207-F355 HydrophobicContact CG1-CZ 3.78Å; V207-F355 HydrophobicContact CG2-CE2 3.79Å; V207-F355 HydrophobicContact CG2-CZ 4.37Å; V207-T383 HydrophobicContact CG2-CG2 3.77Å |
| 208 | K | 62.2 | Low | 81.3 | Confident | 128 Ų | 128 | 51 Ų | 51 | 56% | 0.557 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -57.9 | -36.2 | -169 | -75.2 | 164.1 | 177.5 | 152.3 | 0 | 113.1 | G206 E382 | G206-K208 PolarHBondContact O-N 3.1Å; K208-E382 IonicContact NZ-OE2 3.26Å; K208-E382 PolarHBondContact NZ-OE2 3.41Å |
| 209 | N | 66.7 | Low | 81.4 | Confident | 146 Ų | 146 | 52 Ų | 52 | 78% | 0.781 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -82.6 | -33.7 | 175.9 | -64.6 | -10.1 | 0 | 0 | 0 | 112.1 | V207 V211 F213 | V207-N209 VanDerWaalsContact C-N 3.28Å; V207-N209 PolarHBondContact O-N 3.27Å; N209-V211 PolarHBondContact O-N 3.09Å; N209-F213 PolarHBondContact O-N 3.3Å |
| 210 | S | 74.6 | Confident | 81.7 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 8% | 0.077 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.8 | -36 | -176.4 | -167.4 | 0 | 0 | 0 | 0 | 113.5 | V207 F213 N214 | V207-S210 PolarHBondContact O-N 3.47Å; S210-F213 PolarHBondContact O-N 3.11Å; S210-N214 VanDerWaalsContact O-CB 3.29Å; S210-N214 WeakPolarHBondContact O-CB 3.29Å; S210-N214 PolarHBondContact O-N 3.4Å |
| 211 | V | 73.8 | Confident | 81.8 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.9 | -42.6 | -179.5 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | L53 D57 V207 N209 N214 N215 F355 | L53-V211 HydrophobicContact CD2-CG1 3.93Å; L53-V211 HydrophobicContact CD2-CG2 4.07Å; D57-V211 HydrophobicContact CB-CG1 4.34Å; V207-V211 HydrophobicContact CG1-CG2 4.03Å; V207-V211 PolarHBondContact O-N 3.1Å; N209-V211 PolarHBondContact O-N 3.09Å; V211-N214 PolarHBondContact O-N 3.06Å; V211-N215 PolarHBondContact O-N 2.91Å; V211-F355 HydrophobicContact CG2-CZ 4.49Å |
| 212 | G | 79.2 | Confident | 82 | Confident | 41 Ų | 41 | 52.2 Ų | 52.2 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | N215 V216 | G212-N215 PolarHBondContact O-N 3.47Å; G212-V216 WeakPolarHBondContact O-CG2 3.43Å; G212-V216 PolarHBondContact O-N 2.98Å; G212-V216 VanDerWaalsContact O-N 3.16Å |
| 213 | F | 83.3 | Confident | 82.5 | Confident | 100 Ų | 100 | 51.7 Ų | 51.7 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 174.4 | -179.5 | -110.9 | 0 | 0 | 0 | 112.4 | N209 S210 N215 V216 L217 L351 | N209-F213 PolarHBondContact O-N 3.3Å; S210-F213 PolarHBondContact O-N 3.11Å; F213-N215 PolarHBondContact O-N 3.1Å; F213-V216 PolarHBondContact O-N 3.36Å; F213-L217 HydrophobicContact CD1-CD1 4.1Å; F213-L217 HydrophobicContact CE1-CD1 3.49Å; F213-L217 VanDerWaalsContact CE1-CD1 3.49Å; F213-L217 HydrophobicContact CE1-CG 4.3Å; F213-L217 HydrophobicContact CE2-CD1 4.27Å; F213-L217 HydrophobicContact CE2-CG 4.3Å; F213-L217 HydrophobicContact CZ-CD1 3.59Å; F213-L217 HydrophobicContact CZ-CD2 4.46Å; F213-L217 HydrophobicContact CZ-CG 4.12Å; F213-L217 PolarHBondContact O-N 3.35Å; F213-L351 HydrophobicContact CD1-CD1 4.03Å; F213-L351 HydrophobicContact CE1-CD1 4.12Å |
| 214 | N | 85.4 | Confident | 83 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.032 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 177.1 | -167.7 | 78.2 | 0 | 0 | 0 | 112.1 | S210 V211 V216 L217 N218 V348 | S210-N214 VanDerWaalsContact O-CB 3.29Å; S210-N214 WeakPolarHBondContact O-CB 3.29Å; S210-N214 PolarHBondContact O-N 3.4Å; V211-N214 PolarHBondContact O-N 3.06Å; N214-V216 PolarHBondContact O-N 3.45Å; N214-L217 PolarHBondContact O-N 2.97Å; N214-N218 VanDerWaalsContact O-CB 3.3Å; N214-N218 WeakPolarHBondContact O-CB 3.43Å; N214-N218 PolarHBondContact O-N 3.35Å; N214-V348 WeakPolarHBondContact OD1-CG1 3.42Å |
| 215 | N | 87.3 | Confident | 83.6 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 20% | 0.198 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 176.1 | -74.1 | -10.6 | 0 | 0 | 0 | 112.5 | D57 S60 V211 G212 F213 N218 V219 | D57-N215 PolarHBondContact OD1-ND2 3.45Å; S60-N215 WeakPolarHBondContact CB-OD1 3.42Å; S60-N215 PolarHBondContact OG-OD1 3.25Å; V211-N215 PolarHBondContact O-N 2.91Å; G212-N215 PolarHBondContact O-N 3.47Å; F213-N215 PolarHBondContact O-N 3.1Å; N215-N218 PolarHBondContact O-N 3.28Å; N215-V219 WeakPolarHBondContact O-CG2 3.41Å; N215-V219 PolarHBondContact O-N 3.33Å |
| 216 | V | 90.8 | Very high | 84.3 | Confident | 102 Ų | 102 | 50.3 Ų | 50.3 | 62% | 0.618 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.1 | -46.8 | 178.4 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | G212 F213 N214 N218 V219 L220 | G212-V216 WeakPolarHBondContact O-CG2 3.43Å; G212-V216 PolarHBondContact O-N 2.98Å; G212-V216 VanDerWaalsContact O-N 3.16Å; F213-V216 PolarHBondContact O-N 3.36Å; N214-V216 PolarHBondContact O-N 3.45Å; V216-N218 VanDerWaalsContact C-N 3.33Å; V216-N218 PolarHBondContact O-N 3.47Å; V216-V219 PolarHBondContact O-N 3.33Å; V216-L220 PolarHBondContact O-N 3.17Å; V216-L220 VanDerWaalsContact O-N 3.09Å |
| 217 | L | 91.6 | Very high | 85.5 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.9 | -36 | 177 | -70.1 | -175.4 | 0 | 0 | 0 | 112.5 | F213 N214 L220 N221 A344 T347 V348 | F213-L217 HydrophobicContact CD1-CD1 4.1Å; F213-L217 HydrophobicContact CE1-CD1 3.49Å; F213-L217 VanDerWaalsContact CE1-CD1 3.49Å; F213-L217 HydrophobicContact CE1-CG 4.3Å; F213-L217 HydrophobicContact CE2-CD1 4.27Å; F213-L217 HydrophobicContact CE2-CG 4.3Å; F213-L217 HydrophobicContact CZ-CD1 3.59Å; F213-L217 HydrophobicContact CZ-CD2 4.46Å; F213-L217 HydrophobicContact CZ-CG 4.12Å; F213-L217 PolarHBondContact O-N 3.35Å; N214-L217 PolarHBondContact O-N 2.97Å; L217-L220 WeakPolarHBondContact O-CB 3.42Å; L217-L220 PolarHBondContact O-N 3.19Å; L217-N221 WeakPolarHBondContact O-CB 3.36Å; L217-N221 PolarHBondContact O-N 3.12Å; L217-A344 HydrophobicContact CB-CB 4.35Å; L217-A344 HydrophobicContact CD2-CB 4.09Å; L217-T347 HydrophobicContact CD1-CG2 3.8Å; L217-V348 HydrophobicContact CB-CG2 3.23Å; L217-V348 HydrophobicContact CD1-CG2 4.03Å; L217-V348 HydrophobicContact CG-CG2 4.3Å |
| 218 | N | 90.9 | Very high | 87 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.032 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.7 | -38 | 178.4 | -167.8 | 26.7 | 0 | 0 | 0 | 112.2 | S60 N214 N215 V216 L220 N221 L222 V348 | S60-N218 WeakPolarHBondContact CA-ND2 3.45Å; S60-N218 PolarHBondContact O-ND2 3.21Å; S60-N218 PolarHBondContact OG-ND2 2.91Å; S60-N218 VanDerWaalsContact OG-ND2 3.13Å; N214-N218 VanDerWaalsContact O-CB 3.3Å; N214-N218 WeakPolarHBondContact O-CB 3.43Å; N214-N218 PolarHBondContact O-N 3.35Å; N215-N218 PolarHBondContact O-N 3.28Å; V216-N218 VanDerWaalsContact C-N 3.33Å; V216-N218 PolarHBondContact O-N 3.47Å; N218-L220 VanDerWaalsContact C-N 3.32Å; N218-L220 PolarHBondContact O-N 2.94Å; N218-N221 WeakPolarHBondContact O-CB 3.49Å; N218-N221 PolarHBondContact O-N 3.34Å; N218-L222 WeakPolarHBondContact O-CG 3.46Å; N218-L222 PolarHBondContact O-N 3Å; N218-V348 HydrophobicContact CB-CG1 4.2Å; N218-V348 HydrophobicContact CB-CG2 4.44Å |
| 219 | V | 93.1 | Very high | 88.5 | Confident | 102 Ų | 102 | 47.7 Ų | 47.7 | 62% | 0.618 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.3 | -40.6 | 171.2 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | N215 V216 A223 | N215-V219 WeakPolarHBondContact O-CG2 3.41Å; N215-V219 PolarHBondContact O-N 3.33Å; V216-V219 PolarHBondContact O-N 3.33Å; V219-A223 WeakPolarHBondContact O-CB 3.21Å; V219-A223 PolarHBondContact O-N 2.92Å |
| 220 | L | 94.1 | Very high | 89.8 | Confident | 68 Ų | 68 | 45.6 Ų | 45.6 | 36% | 0.356 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 174.7 | 177.8 | 59.4 | 0 | 0 | 0 | 112.2 | V216 L217 N218 A223 V224 I340 A344 | V216-L220 PolarHBondContact O-N 3.17Å; V216-L220 VanDerWaalsContact O-N 3.09Å; L217-L220 WeakPolarHBondContact O-CB 3.42Å; L217-L220 PolarHBondContact O-N 3.19Å; N218-L220 VanDerWaalsContact C-N 3.32Å; N218-L220 PolarHBondContact O-N 2.94Å; L220-A223 PolarHBondContact O-N 3.43Å; L220-V224 HydrophobicContact CD1-CG2 4.38Å; L220-V224 WeakPolarHBondContact O-CG2 3.38Å; L220-V224 PolarHBondContact O-N 3.14Å; L220-I340 HydrophobicContact CD1-CG2 4.22Å; L220-I340 HydrophobicContact CD2-CG2 3.94Å; L220-I340 HydrophobicContact CG-CG2 4.34Å; L220-A344 HydrophobicContact CB-CB 4.49Å; L220-A344 HydrophobicContact CD2-CB 4.01Å; L220-A344 HydrophobicContact CG-CB 4.2Å |
| 221 | N | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.2 | -50.1 | 175.3 | -178.5 | 29.9 | 0 | 0 | 0 | 111.7 | V67 Y72 L217 N218 A223 V224 W225 G345 | V67-N221 PolarHBondContact O-ND2 3.42Å; Y72-N221 VanDerWaalsContact CE2-OD1 3.3Å; Y72-N221 WeakPolarHBondContact CE2-OD1 3.49Å; Y72-N221 PolarHBondContact OH-OD1 3.49Å; L217-N221 WeakPolarHBondContact O-CB 3.36Å; L217-N221 PolarHBondContact O-N 3.12Å; N218-N221 WeakPolarHBondContact O-CB 3.49Å; N218-N221 PolarHBondContact O-N 3.34Å; N221-A223 VanDerWaalsContact C-N 3.35Å; N221-A223 PolarHBondContact O-N 3.11Å; N221-V224 PolarHBondContact O-N 2.85Å; N221-W225 PolarHBondContact O-N 3.32Å; N221-G345 WeakPolarHBondContact ND2-CA 3.48Å |
| 222 | L | 92.5 | Very high | 91.5 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.2 | -34.1 | 177.7 | -67.7 | 174.5 | 0 | 0 | 0 | 112.7 | V63 N218 W225 V226 | V63-L222 HydrophobicContact CG1-CD1 4.35Å; V63-L222 HydrophobicContact CG1-CD2 4.26Å; N218-L222 WeakPolarHBondContact O-CG 3.46Å; N218-L222 PolarHBondContact O-N 3Å; L222-W225 HydrophobicContact CD2-CE3 4.43Å; L222-W225 PolarHBondContact O-N 2.92Å; L222-V226 WeakPolarHBondContact O-CG2 3.34Å; L222-V226 PolarHBondContact O-N 2.78Å |
| 223 | A | 95 | Very high | 92.1 | Very high | 57 Ų | 57 | 48 Ų | 48 | 47% | 0.471 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V219 L220 N221 V226 F227 | V219-A223 WeakPolarHBondContact O-CB 3.21Å; V219-A223 PolarHBondContact O-N 2.92Å; L220-A223 PolarHBondContact O-N 3.43Å; N221-A223 VanDerWaalsContact C-N 3.35Å; N221-A223 PolarHBondContact O-N 3.11Å; A223-V226 PolarHBondContact O-N 2.92Å; A223-F227 PolarHBondContact O-N 3.34Å |
| 224 | V | 95.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.7 | -35.1 | 174.6 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | L220 N221 V226 F227 I228 V337 | L220-V224 HydrophobicContact CD1-CG2 4.38Å; L220-V224 WeakPolarHBondContact O-CG2 3.38Å; L220-V224 PolarHBondContact O-N 3.14Å; N221-V224 PolarHBondContact O-N 2.85Å; V224-V226 PolarHBondContact O-N 3.17Å; V224-F227 WeakPolarHBondContact O-CB 3.48Å; V224-F227 PolarHBondContact O-N 3.32Å; V224-I228 HydrophobicContact CG1-CD1 4.12Å; V224-I228 HydrophobicContact CG1-CG1 4.41Å; V224-I228 WeakPolarHBondContact O-CG1 3.2Å; V224-I228 PolarHBondContact O-N 3.49Å; V224-V337 HydrophobicContact CG1-CG1 4.48Å; V224-V337 WeakPolarHBondContact CG1-O 3.28Å; V224-V337 HydrophobicContact CG2-CG1 4.34Å |
| 225 | W | 94.5 | Very high | 92.8 | Very high | 49 Ų | 49 | 53.9 Ų | 53.9 | 19% | 0.186 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57 | -47.9 | 168.7 | 166 | 66.9 | 0 | 0 | 0 | 111.7 | M71 N221 L222 F227 I228 M229 T298 S302 V303 | M71-W225 HydrophobicContact CE-CB 4.34Å; M71-W225 HydrophobicContact SD-CB 4.48Å; M71-W225 HydrophobicContact SD-CG 4.44Å; N221-W225 PolarHBondContact O-N 3.32Å; L222-W225 HydrophobicContact CD2-CE3 4.43Å; L222-W225 PolarHBondContact O-N 2.92Å; W225-F227 VanDerWaalsContact C-N 3.3Å; W225-F227 PolarHBondContact O-N 3.03Å; W225-I228 WeakPolarHBondContact O-CB 3.39Å; W225-I228 PolarHBondContact O-N 3.43Å; W225-I228 VanDerWaalsContact O-N 3.17Å; W225-M229 HydrophobicContact CD2-CG 4.48Å; W225-M229 HydrophobicContact CZ2-CG 4.28Å; W225-M229 WeakPolarHBondContact O-CG 3.3Å; W225-M229 PolarHBondContact O-N 3.49Å; W225-T298 HydrophobicContact CH2-CG2 4.48Å; W225-S302 WeakPolarHBondContact CZ2-OG 3.35Å; W225-S302 PolarHBondContact NE1-OG 3.07Å; W225-S302 VanDerWaalsContact NE1-OG 3.17Å; W225-V303 VanDerWaalsContact CD1-CG2 3.43Å |
| 226 | V | 95.2 | Very high | 93 | Very high | 68 Ų | 68 | 55.2 Ų | 55.2 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | L222 A223 V224 M229 I230 | L222-V226 WeakPolarHBondContact O-CG2 3.34Å; L222-V226 PolarHBondContact O-N 2.78Å; A223-V226 PolarHBondContact O-N 2.92Å; V224-V226 PolarHBondContact O-N 3.17Å; V226-M229 PolarHBondContact O-N 2.91Å; V226-I230 HydrophobicContact CG1-CD1 3.84Å; V226-I230 HydrophobicContact CG1-CG1 4.49Å; V226-I230 WeakPolarHBondContact O-CG1 3.21Å; V226-I230 PolarHBondContact O-N 3.22Å |
| 227 | F | 95.1 | Very high | 92.9 | Very high | 66 Ų | 66 | 53.9 Ų | 53.9 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 172.5 | 170.8 | -94.7 | 0 | 0 | 0 | 112.4 | A223 V224 W225 M229 I230 A231 A334 V337 | A223-F227 PolarHBondContact O-N 3.34Å; V224-F227 WeakPolarHBondContact O-CB 3.48Å; V224-F227 PolarHBondContact O-N 3.32Å; W225-F227 VanDerWaalsContact C-N 3.3Å; W225-F227 PolarHBondContact O-N 3.03Å; F227-M229 VanDerWaalsContact C-N 3.27Å; F227-M229 PolarHBondContact O-N 3.23Å; F227-I230 PolarHBondContact O-N 3.04Å; F227-A231 HydrophobicContact CE1-CB 4.28Å; F227-A231 HydrophobicContact CE2-CB 4.37Å; F227-A231 HydrophobicContact CZ-CB 4.13Å; F227-A231 VanDerWaalsContact O-CB 3.24Å; F227-A231 WeakPolarHBondContact O-CB 3.39Å; F227-A231 PolarHBondContact O-N 3.31Å; F227-A334 HydrophobicContact CE1-CB 3.99Å; F227-A334 HydrophobicContact CZ-CB 4.09Å; F227-V337 HydrophobicContact CD1-CB 4.13Å; F227-V337 HydrophobicContact CD1-CG1 3.49Å; F227-V337 VanDerWaalsContact CD1-CG1 3.49Å; F227-V337 HydrophobicContact CD2-CG1 4.42Å; F227-V337 HydrophobicContact CE1-CB 3.79Å; F227-V337 HydrophobicContact CE1-CG1 3.67Å; F227-V337 HydrophobicContact CE1-CG2 4.4Å; F227-V337 HydrophobicContact CG-CG1 3.9Å; F227-V337 HydrophobicContact CZ-CB 4.24Å; F227-V337 HydrophobicContact CZ-CG1 4.22Å; F227-V337 HydrophobicContact CZ-CG2 4.36Å |
| 228 | I | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 175.2 | -68.7 | 162.9 | 0 | 0 | 0 | 110.1 | V224 W225 G232 L322 M325 F326 V338 | V224-I228 HydrophobicContact CG1-CD1 4.12Å; V224-I228 HydrophobicContact CG1-CG1 4.41Å; V224-I228 WeakPolarHBondContact O-CG1 3.2Å; V224-I228 PolarHBondContact O-N 3.49Å; W225-I228 WeakPolarHBondContact O-CB 3.39Å; W225-I228 PolarHBondContact O-N 3.43Å; W225-I228 VanDerWaalsContact O-N 3.17Å; I228-G232 PolarHBondContact O-N 3.01Å; I228-L322 HydrophobicContact CD1-CD1 4.37Å; I228-M325 HydrophobicContact CG2-CE 3.65Å; I228-F326 HydrophobicContact CG1-CE2 4.47Å; I228-V338 HydrophobicContact CD1-CG1 4.07Å; I228-V338 HydrophobicContact CD1-CG2 4Å; I228-V338 HydrophobicContact CG1-CG2 3.67Å |
| 229 | M | 93.6 | Very high | 92.5 | Very high | 42 Ų | 42 | 60.7 Ų | 60.7 | 21% | 0.207 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 178.1 | -70.4 | -53.2 | -52.1 | 0 | 0 | 112.6 | W225 V226 F227 L233 S302 I306 | W225-M229 HydrophobicContact CD2-CG 4.48Å; W225-M229 HydrophobicContact CZ2-CG 4.28Å; W225-M229 WeakPolarHBondContact O-CG 3.3Å; W225-M229 PolarHBondContact O-N 3.49Å; V226-M229 PolarHBondContact O-N 2.91Å; F227-M229 VanDerWaalsContact C-N 3.27Å; F227-M229 PolarHBondContact O-N 3.23Å; M229-L233 WeakPolarHBondContact O-CD1 3.33Å; M229-L233 VanDerWaalsContact O-CG 3.29Å; M229-L233 WeakPolarHBondContact O-CG 3.34Å; M229-S302 VanDerWaalsContact SD-CB 3.54Å; M229-I306 HydrophobicContact CE-CD1 3.41Å; M229-I306 VanDerWaalsContact CE-CD1 3.41Å; M229-I306 HydrophobicContact CE-CG1 4.22Å; M229-I306 WeakPolarHBondContact O-CD1 3.48Å; M229-I306 HydrophobicContact SD-CD1 3.74Å |
| 230 | I | 93.7 | Very high | 92.1 | Very high | 102 Ų | 102 | 58.5 Ų | 58.5 | 52% | 0.523 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -72.7 | -43.8 | -179.8 | -65.9 | 168.3 | 0 | 0 | 0 | 111.3 | V226 F227 F234 | V226-I230 HydrophobicContact CG1-CD1 3.84Å; V226-I230 HydrophobicContact CG1-CG1 4.49Å; V226-I230 WeakPolarHBondContact O-CG1 3.21Å; V226-I230 PolarHBondContact O-N 3.22Å; F227-I230 PolarHBondContact O-N 3.04Å; I230-F234 HydrophobicContact CG2-CE2 4.38Å; I230-F234 VanDerWaalsContact O-CD2 3.25Å; I230-F234 WeakPolarHBondContact O-CD2 3.17Å; I230-F234 VanDerWaalsContact O-CE2 3.31Å; I230-F234 WeakPolarHBondContact O-CE2 3.34Å |
| 231 | A | 93 | Very high | 91.9 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.1 | -40 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F227 L233 F234 F235 F326 | F227-A231 HydrophobicContact CE1-CB 4.28Å; F227-A231 HydrophobicContact CE2-CB 4.37Å; F227-A231 HydrophobicContact CZ-CB 4.13Å; F227-A231 VanDerWaalsContact O-CB 3.24Å; F227-A231 WeakPolarHBondContact O-CB 3.39Å; F227-A231 PolarHBondContact O-N 3.31Å; A231-L233 VanDerWaalsContact C-N 3.33Å; A231-L233 PolarHBondContact O-N 3.13Å; A231-F234 PolarHBondContact O-N 3.48Å; A231-F235 WeakPolarHBondContact O-CD2 3.42Å; A231-F326 HydrophobicContact CB-CE1 3.76Å; A231-F326 HydrophobicContact CB-CZ 3.85Å |
| 232 | G | 91.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -32.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I228 F234 F235 I236 | I228-G232 PolarHBondContact O-N 3.01Å; G232-F234 PolarHBondContact O-N 3.04Å; G232-F234 VanDerWaalsContact O-N 3.1Å; G232-F235 PolarHBondContact O-N 3.29Å; G232-I236 PolarHBondContact O-N 3.28Å |
| 233 | L | 92.3 | Very high | 90.5 | Very high | 112 Ų | 112 | 66.1 Ų | 66.1 | 59% | 0.586 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -55.2 | -28.6 | 177.3 | -76.1 | 166 | 0 | 0 | 0 | 113.6 | M229 A231 F235 I236 | M229-L233 WeakPolarHBondContact O-CD1 3.33Å; M229-L233 VanDerWaalsContact O-CG 3.29Å; M229-L233 WeakPolarHBondContact O-CG 3.34Å; A231-L233 VanDerWaalsContact C-N 3.33Å; A231-L233 PolarHBondContact O-N 3.13Å; L233-F235 VanDerWaalsContact C-N 3.31Å; L233-F235 PolarHBondContact O-N 2.97Å; L233-I236 HydrophobicContact CD2-CD1 3.87Å |
| 234 | F | 91.8 | Very high | 89.2 | Confident | 167 Ų | 167 | 66.5 Ų | 66.5 | 73% | 0.732 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -76.4 | -14.1 | 178.5 | -65.2 | -81.1 | 0 | 0 | 0 | 114.2 | I230 A231 G232 | I230-F234 HydrophobicContact CG2-CE2 4.38Å; I230-F234 VanDerWaalsContact O-CD2 3.25Å; I230-F234 WeakPolarHBondContact O-CD2 3.17Å; I230-F234 VanDerWaalsContact O-CE2 3.31Å; I230-F234 WeakPolarHBondContact O-CE2 3.34Å; A231-F234 PolarHBondContact O-N 3.48Å; G232-F234 PolarHBondContact O-N 3.04Å; G232-F234 VanDerWaalsContact O-N 3.1Å |
| 235 | F | 90.5 | Very high | 88.4 | Confident | 63 Ų | 63 | 69.4 Ų | 69.4 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -117.3 | 7.2 | -175.6 | -58.8 | -79.6 | 0 | 0 | 0 | 113.4 | A231 G232 L233 N237 M310 F326 H329 F331 | A231-F235 WeakPolarHBondContact O-CD2 3.42Å; G232-F235 PolarHBondContact O-N 3.29Å; L233-F235 VanDerWaalsContact C-N 3.31Å; L233-F235 PolarHBondContact O-N 2.97Å; F235-N237 PolarHBondContact O-N 3.25Å; F235-M310 HydrophobicContact CB-CE 3.75Å; F235-M310 HydrophobicContact CB-CG 3.87Å; F235-M310 HydrophobicContact CB-SD 4.15Å; F235-M310 HydrophobicContact CD2-CE 3.83Å; F235-M310 HydrophobicContact CG-CE 3.87Å; F235-F326 HydrophobicContact CD2-CE1 4.47Å; F235-H329 HydrophobicContact CD1-CB 3.83Å; F235-H329 AromaticContact CD1-CD2 3.87Å; F235-H329 AromaticContact CD1-CG 3.97Å; F235-H329 HydrophobicContact CE1-CB 4Å; F235-H329 HydrophobicContact CG-CB 4.41Å; F235-F331 HydrophobicContact CE2-CD1 4.04Å; F235-F331 HydrophobicContact CZ-CB 4.26Å; F235-F331 HydrophobicContact CZ-CD1 4.21Å; F235-F331 HydrophobicContact CZ-CG 4.46Å |
| 236 | I | 91.3 | Very high | 88 | Confident | 65 Ų | 65 | 70 Ų | 70 | 33% | 0.333 | 37% | 0.368 | S | S | . | . | trans | -64.8 | 130.7 | 178.6 | -77 | 178.1 | 0 | 0 | 0 | 111.6 | G232 L233 I306 L309 | G232-I236 PolarHBondContact O-N 3.28Å; L233-I236 HydrophobicContact CD2-CD1 3.87Å; I236-I306 HydrophobicContact CD1-CG1 4.26Å; I236-L309 HydrophobicContact CB-CB 4.38Å; I236-L309 HydrophobicContact CD1-CB 4.46Å; I236-L309 HydrophobicContact CD1-CD1 4.05Å; I236-L309 HydrophobicContact CG1-CB 3.92Å; I236-L309 HydrophobicContact CG1-CD1 4.38Å; I236-L309 HydrophobicContact CG2-CB 4.07Å; I236-L309 HydrophobicContact CG2-CD1 4.12Å; I236-L309 HydrophobicContact CG2-CD2 4.38Å; I236-L309 HydrophobicContact CG2-CG 4.43Å | ||
| 237 | N | 88.5 | Confident | 87.9 | Confident | 73 Ų | 73 | 69.3 Ų | 69.3 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | trans | -126.8 | 104.3 | 171.2 | -171.2 | -14.9 | 0 | 0 | 0 | 110.9 | F235 K239 Y240 L309 | F235-N237 PolarHBondContact O-N 3.25Å; N237-K239 PolarHBondContact O-N 3.27Å; N237-K239 VanDerWaalsContact OD1-CB 3.24Å; N237-K239 WeakPolarHBondContact OD1-CB 3.16Å; N237-K239 PolarHBondContact OD1-N 3.46Å; N237-K239 VanDerWaalsContact OD1-N 3.11Å; N237-Y240 HydrophobicContact CB-CD2 4.15Å; N237-Y240 HydrophobicContact CB-CE2 3.8Å; N237-Y240 WeakPolarHBondContact O-CD2 3.36Å; N237-Y240 PolarHBondContact O-N 3.13Å; N237-L309 PolarHBondContact N-O 3.28Å | ||
| 238 | G | 86.7 | Confident | 87.5 | Confident | 48 Ų | 48 | 68.4 Ų | 68.4 | 50% | 0.495 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -59.6 | -11.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y240 W241 A242 | G238-Y240 PolarHBondContact O-N 2.83Å; G238-W241 PolarHBondContact O-N 3.27Å; G238-A242 PolarHBondContact O-N 2.77Å |
| 239 | K | 87.3 | Confident | 87.2 | Confident | 128 Ų | 128 | 72.5 Ų | 72.5 | 56% | 0.557 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -58.1 | -34.5 | 174.7 | -172.4 | 176.2 | -179.5 | -179 | 0 | 112.6 | N237 W241 A242 | N237-K239 PolarHBondContact O-N 3.27Å; N237-K239 VanDerWaalsContact OD1-CB 3.24Å; N237-K239 WeakPolarHBondContact OD1-CB 3.16Å; N237-K239 PolarHBondContact OD1-N 3.46Å; N237-K239 VanDerWaalsContact OD1-N 3.11Å; K239-W241 PolarHBondContact O-N 2.76Å; K239-A242 WeakPolarHBondContact O-CB 3.49Å; K239-A242 PolarHBondContact O-N 2.85Å; K239-A242 VanDerWaalsContact O-N 3.12Å |
| 240 | Y | 85.5 | Confident | 87 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 22% | 0.216 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -69.5 | -12.2 | -177 | -54.5 | -46.9 | 0 | 0 | 0 | 114.4 | N237 G238 L309 M310 P312 | N237-Y240 HydrophobicContact CB-CD2 4.15Å; N237-Y240 HydrophobicContact CB-CE2 3.8Å; N237-Y240 WeakPolarHBondContact O-CD2 3.36Å; N237-Y240 PolarHBondContact O-N 3.13Å; G238-Y240 PolarHBondContact O-N 2.83Å; Y240-L309 WeakPolarHBondContact CD2-O 3.25Å; Y240-M310 WeakPolarHBondContact CE2-O 3.36Å; Y240-P312 HydrophobicContact CD1-CB 3.74Å; Y240-P312 HydrophobicContact CD1-CG 4.39Å; Y240-P312 HydrophobicContact CE1-CB 3.83Å; Y240-P312 HydrophobicContact CE1-CG 3.98Å; Y240-P312 HydrophobicContact CG-CB 4.27Å |
| 241 | W | 89.3 | Confident | 86.8 | Confident | 74 Ų | 74 | 74.9 Ų | 74.9 | 28% | 0.28 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -106.4 | -9.5 | 173.2 | -70.4 | 17.4 | 0 | 0 | 0 | 113 | P85 I88 G238 K239 F246 M305 T308 L309 | P85-W241 HydrophobicContact CB-CG 4.41Å; I88-W241 HydrophobicContact CD1-CH2 3.42Å; I88-W241 VanDerWaalsContact CD1-CH2 3.42Å; I88-W241 HydrophobicContact CD1-CZ2 3.37Å; G238-W241 PolarHBondContact O-N 3.27Å; K239-W241 PolarHBondContact O-N 2.76Å; W241-F246 HydrophobicContact CB-CD2 4.42Å; W241-F246 AromaticContact CD2-CD2 3.97Å; W241-F246 HydrophobicContact CD2-CD2 3.97Å; W241-F246 HydrophobicContact CD2-CE2 4.05Å; W241-F246 HydrophobicContact CE3-CD2 4.16Å; W241-F246 HydrophobicContact CE3-CE2 4.03Å; W241-F246 HydrophobicContact CG-CD2 4.09Å; W241-F246 HydrophobicContact CH2-CE2 4.46Å; W241-F246 HydrophobicContact CZ2-CE2 4.49Å; W241-F246 HydrophobicContact CZ3-CE2 4.23Å; W241-M305 HydrophobicContact CH2-CE 4.28Å; W241-M305 HydrophobicContact CH2-CG 3.81Å; W241-M305 HydrophobicContact CZ2-CG 4.03Å; W241-T308 PolarHBondContact NE1-O 2.85Å; W241-T308 PolarHBondContact NE1-OG1 2.96Å; W241-L309 HydrophobicContact CD2-CD2 3.62Å; W241-L309 HydrophobicContact CD2-CG 4.16Å; W241-L309 VanDerWaalsContact CE2-CD2 3.49Å; W241-L309 HydrophobicContact CE3-CD2 4.26Å; W241-L309 HydrophobicContact CG-CD2 3.77Å; W241-L309 HydrophobicContact CH2-CD1 4.12Å; W241-L309 HydrophobicContact CH2-CG 4.31Å; W241-L309 HydrophobicContact CZ2-CD1 3.84Å; W241-L309 HydrophobicContact CZ2-CD2 4.01Å; W241-L309 HydrophobicContact CZ2-CG 3.58Å |
| 242 | A | 83.4 | Confident | 86.5 | Confident | 40 Ų | 40 | 77.9 Ų | 77.9 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 176.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | G238 K239 G244 Q245 | G238-A242 PolarHBondContact O-N 2.77Å; K239-A242 WeakPolarHBondContact O-CB 3.49Å; K239-A242 PolarHBondContact O-N 2.85Å; K239-A242 VanDerWaalsContact O-N 3.12Å; A242-G244 PolarHBondContact O-N 3.08Å; A242-Q245 WeakPolarHBondContact O-CB 3.48Å; A242-Q245 WeakPolarHBondContact O-CG 3.19Å; A242-Q245 PolarHBondContact O-N 3.5Å |
| 243 | E | 73.4 | Confident | 86.4 | Confident | 163 Ų | 163 | 78.1 Ų | 78.1 | 76% | 0.762 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 29.1 | 165.7 | -62.3 | 169.7 | -157.8 | 0 | 0 | 114.7 | Q245 | E243-Q245 VanDerWaalsContact C-N 3.32Å; E243-Q245 PolarHBondContact O-N 3.18Å |
| 244 | G | 68.6 | Low | 86.4 | Confident | 66 Ų | 66 | 72.8 Ų | 72.8 | 68% | 0.68 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -1.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A242 F246 | A242-G244 PolarHBondContact O-N 3.08Å; G244-F246 PolarHBondContact O-N 2.96Å |
| 245 | Q | 77.3 | Confident | 86.2 | Confident | 69 Ų | 69 | 67.1 Ų | 67.1 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -2 | -174.9 | -58.5 | -171.9 | 11.2 | 0 | 0 | 114.4 | P85 A242 E243 | P85-Q245 WeakPolarHBondContact CD-O 3.34Å; A242-Q245 WeakPolarHBondContact O-CB 3.48Å; A242-Q245 WeakPolarHBondContact O-CG 3.19Å; A242-Q245 PolarHBondContact O-N 3.5Å; E243-Q245 VanDerWaalsContact C-N 3.32Å; E243-Q245 PolarHBondContact O-N 3.18Å |
| 246 | F | 87.4 | Confident | 86 | Confident | 62 Ų | 62 | 68.4 Ų | 68.4 | 27% | 0.272 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -30.8 | 177.9 | -168.8 | -106.1 | 0 | 0 | 0 | 113.8 | P85 G86 V89 W241 G244 | P85-F246 HydrophobicContact CB-CD2 3.48Å; P85-F246 VanDerWaalsContact CB-CD2 3.48Å; P85-F246 HydrophobicContact CB-CE2 3.82Å; P85-F246 HydrophobicContact CB-CG 4.26Å; G86-F246 PolarHBondContact N-O 2.65Å; V89-F246 HydrophobicContact CG2-CE1 4.26Å; V89-F246 HydrophobicContact CG2-CZ 4.44Å; W241-F246 HydrophobicContact CB-CD2 4.42Å; W241-F246 AromaticContact CD2-CD2 3.97Å; W241-F246 HydrophobicContact CD2-CD2 3.97Å; W241-F246 HydrophobicContact CD2-CE2 4.05Å; W241-F246 HydrophobicContact CE3-CD2 4.16Å; W241-F246 HydrophobicContact CE3-CE2 4.03Å; W241-F246 HydrophobicContact CG-CD2 4.09Å; W241-F246 HydrophobicContact CH2-CE2 4.46Å; W241-F246 HydrophobicContact CZ2-CE2 4.49Å; W241-F246 HydrophobicContact CZ3-CE2 4.23Å; G244-F246 PolarHBondContact O-N 2.96Å |
| 247 | L | 91.2 | Very high | 85.9 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | trans | -129.9 | 64.8 | -177.7 | -65.1 | 177.7 | 0 | 0 | 0 | 112.1 | H249 G250 W251 V254 | L247-H249 VanDerWaalsContact C-N 3.28Å; L247-H249 PolarHBondContact O-N 3.12Å; L247-G250 PolarHBondContact O-N 3.11Å; L247-W251 HydrophobicContact CD1-CZ2 4.45Å; L247-V254 HydrophobicContact CD2-CG2 3.53Å | ||
| 248 | P | 87.8 | Confident | 86.1 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 31% | 0.305 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -33.8 | -173.5 | 26.1 | -34.1 | 0 | 0 | 0 | 113.2 | Y313 | P248-Y313 HydrophobicContact CB-CE1 4.31Å; P248-Y313 HydrophobicContact CB-CE2 4.25Å; P248-Y313 HydrophobicContact CG-CD2 4.48Å; P248-Y313 HydrophobicContact CG-CE1 4.18Å; P248-Y313 HydrophobicContact CG-CE2 4.03Å |
| 249 | H | 87.6 | Confident | 86.1 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 40% | 0.403 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 15.4 | 177 | -50.9 | 131.2 | 0 | 0 | 0 | 112.9 | M82 L247 G253 | M82-H249 VanDerWaalsContact C-ND1 3.35Å; M82-H249 WeakPolarHBondContact O-CB 3.4Å; M82-H249 PolarHBondContact O-ND1 3.07Å; L247-H249 VanDerWaalsContact C-N 3.28Å; L247-H249 PolarHBondContact O-N 3.12Å; H249-G253 PolarHBondContact O-N 3.13Å |
| 250 | G | 89.8 | Confident | 86.1 | Confident | 29 Ų | 29 | 54 Ų | 54 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | 58.5 | -161.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L247 S252 G253 V254 | L247-G250 PolarHBondContact O-N 3.11Å; G250-S252 VanDerWaalsContact C-N 3.28Å; G250-S252 PolarHBondContact O-N 3.01Å; G250-G253 PolarHBondContact O-N 3.17Å; G250-V254 PolarHBondContact O-N 3.05Å |
| 251 | W | 88.4 | Confident | 86.4 | Confident | 164 Ų | 164 | 51.3 Ų | 51.3 | 62% | 0.621 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.5 | -25 | 179.1 | -72 | 103.6 | 0 | 0 | 0 | 113.8 | V89 L247 V254 L255 | V89-W251 HydrophobicContact CG1-CZ3 4.1Å; L247-W251 HydrophobicContact CD1-CZ2 4.45Å; W251-V254 HydrophobicContact CE3-CG1 4.45Å; W251-V254 PolarHBondContact O-N 3.47Å; W251-L255 WeakPolarHBondContact O-CB 3.29Å; W251-L255 WeakPolarHBondContact O-CD1 3.49Å; W251-L255 WeakPolarHBondContact O-CG 3.41Å; W251-L255 PolarHBondContact O-N 2.92Å |
| 252 | S | 87 | Confident | 86.5 | Confident | 72 Ų | 72 | 47.8 Ų | 47.8 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.5 | -47.1 | 177 | -161.2 | 0 | 0 | 0 | 0 | 111 | G250 V254 L255 Q256 | G250-S252 VanDerWaalsContact C-N 3.28Å; G250-S252 PolarHBondContact O-N 3.01Å; S252-V254 VanDerWaalsContact C-N 3.33Å; S252-V254 PolarHBondContact O-N 3.02Å; S252-L255 PolarHBondContact O-N 2.95Å; S252-Q256 WeakPolarHBondContact O-CB 3.46Å; S252-Q256 PolarHBondContact O-N 2.7Å |
| 253 | G | 88.6 | Confident | 86.7 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -33 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | M82 H249 G250 G257 | M82-G253 CarbonylContact O-C 3.58Å; M82-G253 VanDerWaalsContact O-CA 3.22Å; M82-G253 WeakPolarHBondContact O-CA 3.49Å; H249-G253 PolarHBondContact O-N 3.13Å; G250-G253 PolarHBondContact O-N 3.17Å; G253-G257 WeakPolarHBondContact O-CA 3.36Å; G253-G257 PolarHBondContact O-N 2.89Å |
| 254 | V | 92.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.9 | -39.8 | 172 | 171.5 | 0 | 0 | 0 | 0 | 112.1 | V89 S90 I93 L247 G250 W251 S252 G257 A258 | V89-V254 HydrophobicContact CB-CG1 3.91Å; V89-V254 HydrophobicContact CG1-CG1 3.84Å; S90-V254 PolarHBondContact OG-O 2.97Å; I93-V254 HydrophobicContact CD1-CG1 4.16Å; L247-V254 HydrophobicContact CD2-CG2 3.53Å; G250-V254 PolarHBondContact O-N 3.05Å; W251-V254 HydrophobicContact CE3-CG1 4.45Å; W251-V254 PolarHBondContact O-N 3.47Å; S252-V254 VanDerWaalsContact C-N 3.33Å; S252-V254 PolarHBondContact O-N 3.02Å; V254-G257 PolarHBondContact O-N 3.23Å; V254-A258 WeakPolarHBondContact O-CB 3.08Å; V254-A258 PolarHBondContact O-N 2.81Å |
| 255 | L | 88.7 | Confident | 88.6 | Confident | 47 Ų | 47 | 35.7 Ų | 35.7 | 25% | 0.246 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -75.5 | -34 | -179.9 | -71.4 | 163.4 | 0 | 0 | 0 | 112.4 | I93 W251 S252 A259 Y645 | I93-L255 HydrophobicContact CD1-CD2 4.18Å; W251-L255 WeakPolarHBondContact O-CB 3.29Å; W251-L255 WeakPolarHBondContact O-CD1 3.49Å; W251-L255 WeakPolarHBondContact O-CG 3.41Å; W251-L255 PolarHBondContact O-N 2.92Å; S252-L255 PolarHBondContact O-N 2.95Å; L255-A259 PolarHBondContact O-N 3.07Å; L255-Y645 HydrophobicContact CB-CE1 4.47Å; L255-Y645 HydrophobicContact CD2-CE1 4.16Å |
| 256 | Q | 86.9 | Confident | 89.2 | Confident | 91 Ų | 91 | 33.1 Ų | 33.1 | 43% | 0.425 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.4 | -46 | 168.6 | -175.4 | 177.5 | -1.7 | 0 | 0 | 110.8 | M82 S252 A258 A259 T260 | M82-Q256 HydrophobicContact SD-CG 4.24Å; S252-Q256 WeakPolarHBondContact O-CB 3.46Å; S252-Q256 PolarHBondContact O-N 2.7Å; Q256-A258 VanDerWaalsContact C-N 3.27Å; Q256-A258 PolarHBondContact O-N 2.7Å; Q256-A259 WeakPolarHBondContact O-CB 3.41Å; Q256-A259 PolarHBondContact O-N 3.31Å; Q256-A259 VanDerWaalsContact O-N 3.12Å; Q256-T260 PolarHBondContact O-N 3.05Å |
| 257 | G | 89.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.5 | -38.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G253 V254 A259 T260 C261 | G253-G257 WeakPolarHBondContact O-CA 3.36Å; G253-G257 PolarHBondContact O-N 2.89Å; V254-G257 PolarHBondContact O-N 3.23Å; G257-A259 VanDerWaalsContact C-N 3.33Å; G257-A259 PolarHBondContact O-N 2.85Å; G257-T260 PolarHBondContact O-N 2.74Å; G257-C261 WeakPolarHBondContact O-CB 3.46Å; G257-C261 PolarHBondContact O-N 3.41Å; G257-C261 PolarHBondContact O-SG 3.36Å; G257-C261 VanDerWaalsContact O-SG 3.32Å |
| 258 | A | 91.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.6 | -36.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I93 V254 Q256 T260 C261 F262 L646 | I93-A258 HydrophobicContact CB-CB 3.96Å; I93-A258 HydrophobicContact CG2-CB 3.8Å; V254-A258 WeakPolarHBondContact O-CB 3.08Å; V254-A258 PolarHBondContact O-N 2.81Å; Q256-A258 VanDerWaalsContact C-N 3.27Å; Q256-A258 PolarHBondContact O-N 2.7Å; A258-T260 VanDerWaalsContact C-N 3.32Å; A258-T260 PolarHBondContact O-N 2.98Å; A258-C261 PolarHBondContact O-N 3.06Å; A258-F262 PolarHBondContact O-N 3.36Å; A258-L646 HydrophobicContact CB-CD2 4.18Å |
| 259 | A | 86.9 | Confident | 89.2 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.1 | -33 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L255 Q256 G257 F262 L646 K649 L650 | L255-A259 PolarHBondContact O-N 3.07Å; Q256-A259 WeakPolarHBondContact O-CB 3.41Å; Q256-A259 PolarHBondContact O-N 3.31Å; Q256-A259 VanDerWaalsContact O-N 3.12Å; G257-A259 VanDerWaalsContact C-N 3.33Å; G257-A259 PolarHBondContact O-N 2.85Å; A259-F262 WeakPolarHBondContact O-CB 3.49Å; A259-L646 HydrophobicContact CB-CB 4.23Å; A259-L646 HydrophobicContact CB-CD2 4.1Å; A259-K649 HydrophobicContact CB-CB 4.13Å; A259-L650 HydrophobicContact CB-CD2 4.2Å |
| 260 | T | 88.5 | Confident | 89.1 | Confident | 9 Ų | 9 | 21.6 Ų | 21.6 | 6% | 0.055 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -80.2 | -37.8 | 173.4 | -51.2 | 0 | 0 | 0 | 0 | 112.4 | V74 V78 M82 Q256 G257 A258 F262 Y263 I408 | V74-T260 HydrophobicContact CG1-CG2 4.11Å; V78-T260 HydrophobicContact CG2-CG2 3.64Å; M82-T260 HydrophobicContact CE-CG2 4.32Å; M82-T260 PolarHBondContact SD-OG1 3.46Å; Q256-T260 PolarHBondContact O-N 3.05Å; G257-T260 PolarHBondContact O-N 2.74Å; A258-T260 VanDerWaalsContact C-N 3.32Å; A258-T260 PolarHBondContact O-N 2.98Å; T260-F262 PolarHBondContact O-N 3.09Å; T260-Y263 VanDerWaalsContact O-CB 3.29Å; T260-Y263 WeakPolarHBondContact O-CB 3.33Å; T260-Y263 PolarHBondContact O-N 2.79Å; T260-I408 HydrophobicContact CG2-CG2 4.22Å |
| 261 | C | 91.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.4 | -24.1 | 173.1 | -76.7 | 0 | 0 | 0 | 0 | 112.9 | F91 A94 G257 A258 Y263 A264 | F91-C261 HydrophobicContact CD1-CB 3.65Å; F91-C261 HydrophobicContact CE1-CB 3.75Å; F91-C261 HydrophobicContact CG-CB 4.13Å; F91-C261 HydrophobicContact CZ-CB 4.31Å; F91-C261 VanDerWaalsContact CZ-SG 3.6Å; A94-C261 HydrophobicContact CB-CB 3.89Å; G257-C261 WeakPolarHBondContact O-CB 3.46Å; G257-C261 PolarHBondContact O-N 3.41Å; G257-C261 PolarHBondContact O-SG 3.36Å; G257-C261 VanDerWaalsContact O-SG 3.32Å; A258-C261 PolarHBondContact O-N 3.06Å; C261-Y263 PolarHBondContact O-N 3.34Å; C261-A264 WeakPolarHBondContact O-CB 3.34Å; C261-A264 PolarHBondContact O-N 3.27Å; C261-A264 VanDerWaalsContact O-N 3.07Å |
| 262 | F | 90.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -54.9 | -37.2 | 174.6 | -176.7 | -93.6 | 0 | 0 | 0 | 112.4 | A94 A97 S98 A258 A259 T260 A264 F265 I266 T415 L416 Y419 L646 | A94-F262 HydrophobicContact CB-CB 4.48Å; A97-F262 HydrophobicContact CB-CD2 4.3Å; A97-F262 HydrophobicContact CB-CE2 4.28Å; S98-F262 WeakPolarHBondContact OG-CE2 3.12Å; A258-F262 PolarHBondContact O-N 3.36Å; A259-F262 WeakPolarHBondContact O-CB 3.49Å; T260-F262 PolarHBondContact O-N 3.09Å; F262-A264 PolarHBondContact O-N 3.44Å; F262-A264 VanDerWaalsContact O-N 3.11Å; F262-F265 PolarHBondContact O-N 2.84Å; F262-I266 HydrophobicContact CD1-CD1 4.09Å; F262-I266 HydrophobicContact CD1-CG1 4.19Å; F262-I266 HydrophobicContact CE1-CD1 4.09Å; F262-I266 HydrophobicContact CE1-CG1 4.02Å; F262-T415 HydrophobicContact CE1-CG2 3.98Å; F262-T415 HydrophobicContact CZ-CG2 4.46Å; F262-L416 HydrophobicContact CD1-CD1 4.38Å; F262-L416 HydrophobicContact CD1-CD2 3.84Å; F262-L416 HydrophobicContact CD1-CG 3.87Å; F262-L416 HydrophobicContact CD2-CD2 3.98Å; F262-L416 HydrophobicContact CE1-CD2 3.54Å; F262-L416 HydrophobicContact CE1-CG 3.62Å; F262-L416 HydrophobicContact CE2-CD2 3.67Å; F262-L416 HydrophobicContact CG-CD2 4.05Å; F262-L416 HydrophobicContact CG-CG 4.49Å; F262-L416 HydrophobicContact CZ-CD2 3.43Å; F262-L416 VanDerWaalsContact CZ-CD2 3.43Å; F262-L416 HydrophobicContact CZ-CG 4.02Å; F262-Y419 HydrophobicContact CE1-CE2 4.42Å; F262-Y419 HydrophobicContact CE2-CD2 4.39Å; F262-Y419 HydrophobicContact CE2-CE2 4.41Å; F262-Y419 AromaticContact CZ-CD2 3.63Å; F262-Y419 HydrophobicContact CZ-CD2 3.63Å; F262-Y419 AromaticContact CZ-CE2 3.62Å; F262-Y419 HydrophobicContact CZ-CE2 3.62Å; F262-L646 HydrophobicContact CD2-CD1 4.05Å |
| 263 | Y | 88.8 | Confident | 88.5 | Confident | 14 Ų | 14 | 9.4 Ų | 9.4 | 6% | 0.055 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -48.6 | -38.5 | 174.2 | 171.6 | -90 | 0 | 0 | 0 | 113.3 | T69 V74 T260 C261 F265 I266 I408 M411 | T69-Y263 WeakPolarHBondContact CB-OH 3.13Å; T69-Y263 HydrophobicContact CG2-CE1 3.85Å; T69-Y263 WeakPolarHBondContact CG2-OH 3.21Å; V74-Y263 HydrophobicContact CG2-CD1 3.66Å; V74-Y263 HydrophobicContact CG2-CE1 3.9Å; T260-Y263 VanDerWaalsContact O-CB 3.29Å; T260-Y263 WeakPolarHBondContact O-CB 3.33Å; T260-Y263 PolarHBondContact O-N 2.79Å; C261-Y263 PolarHBondContact O-N 3.34Å; Y263-F265 PolarHBondContact O-N 2.99Å; Y263-I266 WeakPolarHBondContact O-CB 3.41Å; Y263-I266 PolarHBondContact O-N 3.27Å; Y263-I266 VanDerWaalsContact O-N 3.12Å; Y263-I408 HydrophobicContact CD1-CG1 4.34Å; Y263-I408 HydrophobicContact CD1-CG2 4.29Å; Y263-I408 HydrophobicContact CD2-CB 4.13Å; Y263-I408 HydrophobicContact CD2-CG1 4.04Å; Y263-I408 HydrophobicContact CD2-CG2 3.9Å; Y263-I408 HydrophobicContact CE1-CG1 4.07Å; Y263-I408 HydrophobicContact CE2-CB 4.28Å; Y263-I408 HydrophobicContact CE2-CG1 3.75Å; Y263-I408 HydrophobicContact CE2-CG2 4.48Å; Y263-I408 HydrophobicContact CG-CB 4.46Å; Y263-I408 HydrophobicContact CG-CG1 4.33Å; Y263-I408 HydrophobicContact CG-CG2 3.79Å; Y263-M411 HydrophobicContact CD2-CB 4.37Å; Y263-M411 HydrophobicContact CD2-CG 4.49Å; Y263-M411 HydrophobicContact CD2-SD 3.49Å; Y263-M411 WeakPolarHBondContact CD2-SD 3.24Å; Y263-M411 HydrophobicContact CE2-CE 3.87Å; Y263-M411 HydrophobicContact CE2-SD 3.42Å; Y263-M411 WeakPolarHBondContact CE2-SD 3.28Å |
| 264 | A | 90.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.008 | 5% | 0.047 | C | C | . | . | G | 310 helix | trans | -69 | -14.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C66 F91 C261 F262 Y300 | C66-A264 WeakPolarHBondContact CB-O 3.25Å; F91-A264 HydrophobicContact CE1-CB 3.71Å; C261-A264 WeakPolarHBondContact O-CB 3.34Å; C261-A264 PolarHBondContact O-N 3.27Å; C261-A264 VanDerWaalsContact O-N 3.07Å; F262-A264 PolarHBondContact O-N 3.44Å; F262-A264 VanDerWaalsContact O-N 3.11Å; A264-Y300 HydrophobicContact CB-CD1 4.4Å; A264-Y300 HydrophobicContact CB-CD2 4.18Å; A264-Y300 HydrophobicContact CB-CE1 3.95Å; A264-Y300 HydrophobicContact CB-CE2 3.66Å; A264-Y300 WeakPolarHBondContact O-CE2 3.34Å; A264-Y300 PolarHBondContact O-OH 2.91Å |
| 265 | F | 91.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -105.4 | 10.4 | 176.1 | -63 | -82.4 | 0 | 0 | 0 | 113 | F91 A94 A95 S98 F262 Y263 F268 L293 C296 L297 Y300 | F91-F265 AromaticContact CD1-CE2 3.99Å; F91-F265 HydrophobicContact CD1-CE2 3.99Å; A94-F265 HydrophobicContact CB-CD2 3.91Å; A94-F265 HydrophobicContact CB-CE2 3.79Å; A95-F265 HydrophobicContact CB-CE1 3.79Å; A95-F265 HydrophobicContact CB-CE2 4Å; A95-F265 HydrophobicContact CB-CZ 3.43Å; A95-F265 VanDerWaalsContact CB-CZ 3.43Å; S98-F265 WeakPolarHBondContact OG-CB 3.38Å; F262-F265 PolarHBondContact O-N 2.84Å; Y263-F265 PolarHBondContact O-N 2.99Å; F265-F268 WeakPolarHBondContact O-CD1 3.32Å; F265-L293 HydrophobicContact CB-CD2 4.35Å; F265-L293 HydrophobicContact CD1-CD2 3.93Å; F265-C296 HydrophobicContact CD1-CB 4.12Å; F265-C296 HydrophobicContact CE1-CB 4.05Å; F265-L297 HydrophobicContact CE1-CB 4.2Å; F265-Y300 HydrophobicContact CD1-CD2 4.38Å; F265-Y300 HydrophobicContact CD1-CE2 4.23Å; F265-Y300 AromaticContact CE1-CD2 3.75Å; F265-Y300 HydrophobicContact CE1-CD2 3.75Å; F265-Y300 HydrophobicContact CE1-CE2 4.04Å; F265-Y300 HydrophobicContact CE2-CD2 4.05Å; F265-Y300 AromaticContact CZ-CD2 3.55Å; F265-Y300 HydrophobicContact CZ-CD2 3.55Å; F265-Y300 HydrophobicContact CZ-CE2 4.18Å |
| 266 | I | 89.9 | Confident | 86.8 | Confident | 14 Ų | 14 | 9 Ų | 9 | 7% | 0.072 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 136 | 172.9 | -58.3 | -179.3 | 0 | 0 | 0 | 108.2 | C66 E142 F262 Y263 M411 T415 | C66-I266 PolarHBondContact SG-O 2.81Å; E142-I266 HydrophobicContact CG-CG2 4.29Å; E142-I266 WeakPolarHBondContact OE1-CG2 3.44Å; F262-I266 HydrophobicContact CD1-CD1 4.09Å; F262-I266 HydrophobicContact CD1-CG1 4.19Å; F262-I266 HydrophobicContact CE1-CD1 4.09Å; F262-I266 HydrophobicContact CE1-CG1 4.02Å; Y263-I266 WeakPolarHBondContact O-CB 3.41Å; Y263-I266 PolarHBondContact O-N 3.27Å; Y263-I266 VanDerWaalsContact O-N 3.12Å; I266-M411 HydrophobicContact CB-SD 4.02Å; I266-M411 HydrophobicContact CD1-CG 3.75Å; I266-M411 HydrophobicContact CD1-SD 3.53Å; I266-M411 VanDerWaalsContact CD1-SD 3.53Å; I266-M411 HydrophobicContact CG1-SD 4.34Å; I266-M411 HydrophobicContact CG2-CG 4.48Å; I266-M411 HydrophobicContact CG2-SD 3.72Å; I266-T415 HydrophobicContact CD1-CG2 3.93Å; I266-T415 HydrophobicContact CG1-CG2 3.89Å; I266-T415 HydrophobicContact CG2-CG2 4.08Å |
| 267 | G | 88.3 | Confident | 86.4 | Confident | 4 Ų | 4 | 5 Ų | 5 | 4% | 0.041 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 118.1 | -4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S65 D269 I270 | S65-G267 VanDerWaalsContact OG-C 3.24Å; S65-G267 PolarHBondContact OG-O 3.49Å; G267-D269 WeakPolarHBondContact CA-OD1 3.5Å; G267-D269 PolarHBondContact N-OD1 3.5Å; G267-D269 VanDerWaalsContact N-OD1 3.08Å; G267-I270 WeakPolarHBondContact O-CB 3.42Å; G267-I270 WeakPolarHBondContact O-CG1 3.26Å |
| 268 | F | 89.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.027 | C | C | . | . | S | Bend | trans | -75.7 | -27.7 | 171.2 | 69.2 | -102.7 | 0 | 0 | 0 | 112.5 | G102 Y105 F265 I270 I271 I289 L293 Y419 | G102-F268 VanDerWaalsContact CA-CE2 3.42Å; Y105-F268 AromaticContact CD2-CE2 3.95Å; Y105-F268 HydrophobicContact CD2-CE2 3.95Å; Y105-F268 HydrophobicContact CD2-CZ 4.45Å; Y105-F268 HydrophobicContact CG-CE2 4.05Å; F265-F268 WeakPolarHBondContact O-CD1 3.32Å; F268-I270 PolarHBondContact O-N 3.48Å; F268-I271 VanDerWaalsContact O-CB 3.32Å; F268-I271 WeakPolarHBondContact O-CB 3.04Å; F268-I271 WeakPolarHBondContact O-CG1 3.16Å; F268-I271 PolarHBondContact O-N 3.04Å; F268-I271 VanDerWaalsContact O-N 3.13Å; F268-I289 HydrophobicContact CD2-CG2 3.78Å; F268-I289 HydrophobicContact CE2-CG2 4.45Å; F268-I289 HydrophobicContact CG-CG2 4.37Å; F268-L293 HydrophobicContact CB-CD1 4.48Å; F268-L293 HydrophobicContact CB-CD2 4.45Å; F268-L293 HydrophobicContact CB-CG 4.2Å; F268-L293 HydrophobicContact CD1-CD1 3.91Å; F268-L293 HydrophobicContact CD1-CD2 3.58Å; F268-L293 HydrophobicContact CD1-CG 3.98Å; F268-L293 HydrophobicContact CD2-CD1 4.39Å; F268-L293 HydrophobicContact CE1-CD1 4.19Å; F268-L293 HydrophobicContact CE1-CD2 4.13Å; F268-L293 HydrophobicContact CG-CD1 4Å; F268-L293 HydrophobicContact CG-CD2 4.23Å; F268-L293 HydrophobicContact CG-CG 4.15Å; F268-Y419 AromaticContact CE1-CE2 3.51Å; F268-Y419 HydrophobicContact CE1-CE2 3.51Å; F268-Y419 AromaticContact CE1-CZ 3.65Å; F268-Y419 WeakPolarHBondContact CE1-OH 3.5Å; F268-Y419 HydrophobicContact CE2-CE2 4.44Å; F268-Y419 HydrophobicContact CZ-CD2 4.17Å; F268-Y419 HydrophobicContact CZ-CE1 4.32Å; F268-Y419 AromaticContact CZ-CE2 3.32Å; F268-Y419 HydrophobicContact CZ-CE2 3.32Å; F268-Y419 AromaticContact CZ-CZ 3.41Å; F268-Y419 VanDerWaalsContact CZ-CZ 3.41Å; F268-Y419 WeakPolarHBondContact CZ-OH 3.35Å |
| 269 | D | 87.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -55.4 | -31.6 | 175.4 | 63.9 | -68.8 | 0 | 0 | 0 | 111.8 | Y105 Y143 G267 I271 A272 T273 Y419 | Y105-D269 HydrophobicContact CD1-CB 4.32Å; Y105-D269 HydrophobicContact CE1-CB 4Å; Y143-D269 VanDerWaalsContact CE1-OD2 3.25Å; Y143-D269 WeakPolarHBondContact CE1-OD2 3.5Å; Y143-D269 VanDerWaalsContact CZ-OD2 3.29Å; Y143-D269 PolarHBondContact OH-OD2 3.41Å; G267-D269 WeakPolarHBondContact CA-OD1 3.5Å; G267-D269 PolarHBondContact N-OD1 3.5Å; G267-D269 VanDerWaalsContact N-OD1 3.08Å; D269-I271 PolarHBondContact O-N 3.32Å; D269-I271 VanDerWaalsContact O-N 3.16Å; D269-A272 WeakPolarHBondContact O-CA 3.43Å; D269-A272 WeakPolarHBondContact O-CB 3.38Å; D269-A272 PolarHBondContact O-N 2.87Å; D269-T273 PolarHBondContact O-N 3.33Å; D269-Y419 HydrophobicContact CB-CE1 4.4Å |
| 270 | I | 86.4 | Confident | 85.6 | Confident | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -55.8 | -34.7 | 178.2 | -54.6 | -179.2 | 0 | 0 | 0 | 110.6 | Y143 G267 F268 A272 T273 T274 G352 P356 | Y143-I270 HydrophobicContact CE1-CD1 4.42Å; Y143-I270 HydrophobicContact CE1-CG1 3.96Å; G267-I270 WeakPolarHBondContact O-CB 3.42Å; G267-I270 WeakPolarHBondContact O-CG1 3.26Å; F268-I270 PolarHBondContact O-N 3.48Å; I270-A272 VanDerWaalsContact C-N 3.31Å; I270-A272 PolarHBondContact O-N 2.85Å; I270-T273 PolarHBondContact O-N 3.02Å; I270-T273 VanDerWaalsContact O-N 3.15Å; I270-T274 HydrophobicContact CG2-CG2 4.2Å; I270-T274 WeakPolarHBondContact O-CG2 3.46Å; I270-T274 PolarHBondContact O-N 2.92Å; I270-T274 PolarHBondContact O-OG1 2.92Å; I270-T274 VanDerWaalsContact O-OG1 3.09Å; I270-G352 WeakPolarHBondContact CD1-O 3.31Å; I270-P356 HydrophobicContact CD1-CG 4.24Å; I270-P356 HydrophobicContact CG1-CG 4.12Å; I270-P356 HydrophobicContact CG2-CB 4.33Å; I270-P356 HydrophobicContact CG2-CG 4.07Å |
| 271 | I | 88.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.9 | -45.3 | 174.4 | -60.1 | 170.2 | 0 | 0 | 0 | 110.4 | L58 F268 D269 T274 I285 A288 I289 | L58-I271 HydrophobicContact CB-CG2 4.26Å; L58-I271 HydrophobicContact CD2-CG2 4.27Å; F268-I271 VanDerWaalsContact O-CB 3.32Å; F268-I271 WeakPolarHBondContact O-CB 3.04Å; F268-I271 WeakPolarHBondContact O-CG1 3.16Å; F268-I271 PolarHBondContact O-N 3.04Å; F268-I271 VanDerWaalsContact O-N 3.13Å; D269-I271 PolarHBondContact O-N 3.32Å; D269-I271 VanDerWaalsContact O-N 3.16Å; I271-T274 PolarHBondContact O-N 3.17Å; I271-T274 PolarHBondContact O-OG1 3.33Å; I271-T274 VanDerWaalsContact O-OG1 3.06Å; I271-I285 HydrophobicContact CG2-CB 4.4Å; I271-I285 HydrophobicContact CG2-CG1 4.35Å; I271-I285 HydrophobicContact CG2-CG2 4.15Å; I271-A288 HydrophobicContact CD1-CB 3.93Å; I271-A288 HydrophobicContact CG2-CB 3.96Å; I271-I289 HydrophobicContact CB-CD1 4.45Å; I271-I289 HydrophobicContact CB-CG1 3.85Å; I271-I289 HydrophobicContact CD1-CB 4.44Å; I271-I289 HydrophobicContact CD1-CG1 3.82Å; I271-I289 HydrophobicContact CG1-CG1 4.41Å; I271-I289 HydrophobicContact CG2-CD1 4.46Å; I271-I289 HydrophobicContact CG2-CG1 3.95Å |
| 272 | A | 83.6 | Confident | 84.9 | Confident | 3 Ų | 3 | 18.5 Ų | 18.5 | 3% | 0.025 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -71.2 | -31.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y105 S118 D269 I270 T274 I289 | Y105-A272 HydrophobicContact CD1-CB 4.4Å; S118-A272 VanDerWaalsContact OG-C 3.32Å; S118-A272 PolarHBondContact OG-O 2.83Å; D269-A272 WeakPolarHBondContact O-CA 3.43Å; D269-A272 WeakPolarHBondContact O-CB 3.38Å; D269-A272 PolarHBondContact O-N 2.87Å; I270-A272 VanDerWaalsContact C-N 3.31Å; I270-A272 PolarHBondContact O-N 2.85Å; A272-T274 VanDerWaalsContact C-N 3.35Å; A272-I289 HydrophobicContact CB-CD1 4.45Å |
| 273 | T | 79.9 | Confident | 84.6 | Confident | 5 Ų | 5 | 22.9 Ų | 22.9 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.7 | -31.1 | 173.3 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | Y143 D269 I270 P356 V360 | Y143-T273 PolarHBondContact OH-OG1 3.49Å; D269-T273 PolarHBondContact O-N 3.33Å; I270-T273 PolarHBondContact O-N 3.02Å; I270-T273 VanDerWaalsContact O-N 3.15Å; T273-P356 HydrophobicContact CG2-CB 3.61Å; T273-V360 HydrophobicContact CG2-CG2 4.3Å |
| 274 | T | 79.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 9.2 | 178.7 | 60.7 | 0 | 0 | 0 | 0 | 115 | L58 I270 I271 A272 E276 E277 F355 | L58-T274 WeakPolarHBondContact CD2-OG1 3.33Å; I270-T274 HydrophobicContact CG2-CG2 4.2Å; I270-T274 WeakPolarHBondContact O-CG2 3.46Å; I270-T274 PolarHBondContact O-N 2.92Å; I270-T274 PolarHBondContact O-OG1 2.92Å; I270-T274 VanDerWaalsContact O-OG1 3.09Å; I271-T274 PolarHBondContact O-N 3.17Å; I271-T274 PolarHBondContact O-OG1 3.33Å; I271-T274 VanDerWaalsContact O-OG1 3.06Å; A272-T274 VanDerWaalsContact C-N 3.35Å; T274-E276 VanDerWaalsContact C-N 3.28Å; T274-E276 PolarHBondContact O-N 2.93Å; T274-E276 VanDerWaalsContact O-N 3.13Å; T274-E277 PolarHBondContact O-N 2.86Å; T274-E277 VanDerWaalsContact O-N 3.08Å; T274-F355 HydrophobicContact CG2-CD1 3.87Å; T274-F355 HydrophobicContact CG2-CE1 3.64Å |
| 275 | G | 77.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -56.8 | -31.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116 | E277 A278 | G275-E277 VanDerWaalsContact C-N 3.34Å; G275-E277 PolarHBondContact O-N 2.59Å; G275-A278 WeakPolarHBondContact O-CB 3.4Å; G275-A278 PolarHBondContact O-N 3.2Å |
| 276 | E | 76.9 | Confident | 84.4 | Confident | 38 Ų | 38 | 22.7 Ų | 22.7 | 18% | 0.178 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -65.4 | -33.8 | 177.7 | -69.4 | -178.8 | 129.8 | 0 | 0 | 113.9 | Q51 T115 T116 T274 A278 | Q51-E276 WeakPolarHBondContact CG-O 3.34Å; T115-E276 VanDerWaalsContact C-OE1 3.22Å; T115-E276 WeakPolarHBondContact CA-OE1 3.13Å; T115-E276 PolarHBondContact N-OE1 2.96Å; T116-E276 WeakPolarHBondContact CA-OE2 3.29Å; T116-E276 VanDerWaalsContact CB-OE2 3.22Å; T116-E276 WeakPolarHBondContact CB-OE2 3.37Å; T116-E276 PolarHBondContact N-OE1 2.68Å; T116-E276 PolarHBondContact N-OE2 3.24Å; T116-E276 PolarHBondContact OG1-OE1 3.38Å; T116-E276 PolarHBondContact OG1-OE2 2.95Å; T274-E276 VanDerWaalsContact C-N 3.28Å; T274-E276 PolarHBondContact O-N 2.93Å; T274-E276 VanDerWaalsContact O-N 3.13Å; E276-A278 VanDerWaalsContact C-N 3.26Å |
| 277 | E | 79.3 | Confident | 84.5 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -83.1 | -7.3 | -178.7 | -71.6 | 169.5 | -137.4 | 0 | 0 | 111.7 | L49 Q51 V52 L53 T274 G275 R359 | L49-E277 HydrophobicContact CB-CG 4.12Å; L49-E277 HydrophobicContact CD1-CG 4.45Å; Q51-E277 CarbonylContact C-O 3.6Å; Q51-E277 WeakPolarHBondContact CA-O 3.47Å; V52-E277 PolarHBondContact N-O 3.41Å; L53-E277 WeakPolarHBondContact CB-O 3.44Å; L53-E277 HydrophobicContact CD1-CB 3.79Å; L53-E277 HydrophobicContact CG-CB 4.05Å; L53-E277 PolarHBondContact N-O 3.25Å; T274-E277 PolarHBondContact O-N 2.86Å; T274-E277 VanDerWaalsContact O-N 3.08Å; G275-E277 VanDerWaalsContact C-N 3.34Å; G275-E277 PolarHBondContact O-N 2.59Å; E277-R359 IonicContact OE1-CZ 3.07Å; E277-R359 IonicContact OE1-NE 3.16Å; E277-R359 PolarHBondContact OE1-NE 2.75Å; E277-R359 IonicContact OE1-NH2 2.71Å; E277-R359 PolarHBondContact OE1-NH2 3.21Å; E277-R359 IonicContact OE2-CZ 2.67Å; E277-R359 IonicContact OE2-NH2 2.75Å; E277-R359 PolarHBondContact OE2-NH2 3.29Å |
| 278 | A | 83.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -76.5 | 140.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L58 G275 E276 P281 | L58-A278 HydrophobicContact CD1-CB 3.85Å; G275-A278 WeakPolarHBondContact O-CB 3.4Å; G275-A278 PolarHBondContact O-N 3.2Å; E276-A278 VanDerWaalsContact C-N 3.26Å; A278-P281 HydrophobicContact CB-CB 4.18Å; A278-P281 WeakPolarHBondContact O-CD 3.46Å |
| 279 | K | 83.1 | Confident | 84.8 | Confident | 107 Ų | 107 | 29 Ų | 29 | 47% | 0.465 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -72.3 | -32 | 176.9 | -70.9 | 167.9 | 177.7 | 155.1 | 0 | 114 | Q51 V52 L53 T54 | Q51-K279 VanDerWaalsContact O-CE 3.25Å; Q51-K279 WeakPolarHBondContact O-CE 3.28Å; Q51-K279 WeakPolarHBondContact O-CG 3.14Å; V52-K279 WeakPolarHBondContact O-CE 3.46Å; V52-K279 PolarHBondContact O-NZ 3.35Å; L53-K279 PolarHBondContact O-N 2.84Å; T54-K279 HydrophobicContact CG2-CD 4.42Å |
| 280 | N | 83.7 | Confident | 84.9 | Confident | 104 Ų | 104 | 31.9 Ų | 31.9 | 56% | 0.556 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -137.4 | 59.2 | -177.9 | -73.4 | -55.5 | 0 | 0 | 0 | 111.5 | N282 T283 S284 | N280-N282 VanDerWaalsContact C-N 3.27Å; N280-N282 PolarHBondContact O-N 3.05Å; N280-N282 VanDerWaalsContact O-N 3.13Å; N280-T283 PolarHBondContact O-N 3.3Å; N280-T283 VanDerWaalsContact O-N 3.12Å; N280-T283 PolarHBondContact O-OG1 3.39Å; N280-S284 VanDerWaalsContact O-CB 3.3Å; N280-S284 WeakPolarHBondContact O-CB 3.21Å; N280-S284 PolarHBondContact O-N 3.49Å; N280-S284 PolarHBondContact O-OG 3.22Å |
| 281 | P | 82 | Confident | 85.2 | Confident | 15 Ų | 15 | 32.9 Ų | 32.9 | 10% | 0.097 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.2 | -40.7 | -168.3 | 19.3 | -32.1 | 0 | 0 | 0 | 113.7 | P113 A278 T283 I285 | P113-P281 HydrophobicContact CB-CB 3.65Å; P113-P281 HydrophobicContact CB-CG 3.61Å; A278-P281 HydrophobicContact CB-CB 4.18Å; A278-P281 WeakPolarHBondContact O-CD 3.46Å; P281-T283 PolarHBondContact O-N 3.15Å; P281-I285 HydrophobicContact CB-CD1 3.59Å; P281-I285 HydrophobicContact CB-CG1 4.27Å; P281-I285 WeakPolarHBondContact O-CB 3.44Å; P281-I285 WeakPolarHBondContact O-CG1 3.25Å; P281-I285 PolarHBondContact O-N 3.33Å |
| 282 | N | 83.3 | Confident | 85.5 | Confident | 67 Ų | 67 | 32.9 Ų | 32.9 | 36% | 0.358 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -53 | -27.9 | -179.7 | -69 | 0.5 | 0 | 0 | 0 | 115.1 | V110 P113 N280 P626 | V110-N282 WeakPolarHBondContact CG2-O 3.21Å; P113-N282 WeakPolarHBondContact CG-OD1 3.33Å; N280-N282 VanDerWaalsContact C-N 3.27Å; N280-N282 PolarHBondContact O-N 3.05Å; N280-N282 VanDerWaalsContact O-N 3.13Å; N282-P626 HydrophobicContact CB-CB 4.01Å; N282-P626 HydrophobicContact CB-CG 3.98Å |
| 283 | T | 83.8 | Confident | 86 | Confident | 93 Ų | 93 | 33 Ų | 33 | 57% | 0.571 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -121 | -31.6 | -179.3 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | N280 P281 Y287 | N280-T283 PolarHBondContact O-N 3.3Å; N280-T283 VanDerWaalsContact O-N 3.12Å; N280-T283 PolarHBondContact O-OG1 3.39Å; P281-T283 PolarHBondContact O-N 3.15Å; T283-Y287 WeakPolarHBondContact O-CB 3.17Å |
| 284 | S | 88.8 | Confident | 86.6 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.3 | -41.3 | 177.3 | -63.6 | 0 | 0 | 0 | 0 | 113 | T55 N280 A288 | T55-S284 PolarHBondContact OG1-OG 3.15Å; N280-S284 VanDerWaalsContact O-CB 3.3Å; N280-S284 WeakPolarHBondContact O-CB 3.21Å; N280-S284 PolarHBondContact O-N 3.49Å; N280-S284 PolarHBondContact O-OG 3.22Å; S284-A288 WeakPolarHBondContact O-CB 3.25Å; S284-A288 PolarHBondContact O-N 2.94Å |
| 285 | I | 88.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -52.1 | -174.7 | -66.3 | 167.6 | 0 | 0 | 0 | 112.1 | I271 P281 Y287 A288 I289 | I271-I285 HydrophobicContact CG2-CB 4.4Å; I271-I285 HydrophobicContact CG2-CG1 4.35Å; I271-I285 HydrophobicContact CG2-CG2 4.15Å; P281-I285 HydrophobicContact CB-CD1 3.59Å; P281-I285 HydrophobicContact CB-CG1 4.27Å; P281-I285 WeakPolarHBondContact O-CB 3.44Å; P281-I285 WeakPolarHBondContact O-CG1 3.25Å; P281-I285 PolarHBondContact O-N 3.33Å; I285-Y287 VanDerWaalsContact C-N 3.35Å; I285-Y287 PolarHBondContact O-N 3.47Å; I285-A288 PolarHBondContact O-N 3.42Å; I285-I289 HydrophobicContact CG2-CD1 3.68Å; I285-I289 HydrophobicContact CG2-CG1 4.48Å; I285-I289 WeakPolarHBondContact O-CG1 3.47Å; I285-I289 PolarHBondContact O-N 2.92Å |
| 286 | P | 89.9 | Confident | 88.1 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | -178.9 | -22.6 | 34.1 | 0 | 0 | 0 | 113.3 | A106 V110 T290 Y627 | A106-P286 HydrophobicContact CB-CB 3.99Å; V110-P286 HydrophobicContact CG2-CG 3.38Å; P286-T290 WeakPolarHBondContact O-CB 3.41Å; P286-T290 PolarHBondContact O-N 3.4Å; P286-T290 VanDerWaalsContact O-N 3.12Å; P286-T290 PolarHBondContact O-OG1 2.93Å; P286-Y627 HydrophobicContact CB-CD1 4.06Å; P286-Y627 HydrophobicContact CB-CD2 3.48Å; P286-Y627 VanDerWaalsContact CB-CD2 3.48Å; P286-Y627 HydrophobicContact CB-CE1 4.47Å; P286-Y627 HydrophobicContact CB-CE2 3.92Å; P286-Y627 HydrophobicContact CB-CG 3.54Å; P286-Y627 VanDerWaalsContact CG-CB 3.46Å; P286-Y627 HydrophobicContact CG-CD1 4.17Å; P286-Y627 HydrophobicContact CG-CD2 4.05Å; P286-Y627 HydrophobicContact CG-CG 3.63Å |
| 287 | Y | 90.3 | Very high | 88.9 | Confident | 150 Ų | 150 | 39.5 Ų | 39.5 | 59% | 0.588 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -65.7 | -44.3 | 177.5 | -176.2 | -98.3 | 0 | 0 | 0 | 110.7 | T55 I59 T283 I285 T290 A291 | T55-Y287 HydrophobicContact CG2-CD1 3.65Å; T55-Y287 HydrophobicContact CG2-CE1 4.33Å; I59-Y287 HydrophobicContact CD1-CD1 3.99Å; I59-Y287 HydrophobicContact CD1-CE1 3.75Å; T283-Y287 WeakPolarHBondContact O-CB 3.17Å; I285-Y287 VanDerWaalsContact C-N 3.35Å; I285-Y287 PolarHBondContact O-N 3.47Å; Y287-T290 PolarHBondContact O-N 3.32Å; Y287-A291 WeakPolarHBondContact O-CB 3.42Å; Y287-A291 PolarHBondContact O-N 3.47Å |
| 288 | A | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66 | -44.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L58 I59 I271 S284 I285 T290 A291 S292 | L58-A288 HydrophobicContact CB-CB 3.77Å; I59-A288 HydrophobicContact CG1-CB 3.78Å; I271-A288 HydrophobicContact CD1-CB 3.93Å; I271-A288 HydrophobicContact CG2-CB 3.96Å; S284-A288 WeakPolarHBondContact O-CB 3.25Å; S284-A288 PolarHBondContact O-N 2.94Å; I285-A288 PolarHBondContact O-N 3.42Å; A288-T290 PolarHBondContact O-N 3.32Å; A288-A291 PolarHBondContact O-N 3Å; A288-S292 WeakPolarHBondContact O-CB 3.45Å; A288-S292 PolarHBondContact O-N 3.11Å; A288-S292 PolarHBondContact O-OG 3.19Å; A288-S292 VanDerWaalsContact O-OG 3.14Å |
| 289 | I | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 176.5 | -67.5 | 167.1 | 0 | 0 | 0 | 111 | A106 F268 I271 A272 I285 S292 L293 | A106-I289 HydrophobicContact CB-CD1 4.33Å; F268-I289 HydrophobicContact CD2-CG2 3.78Å; F268-I289 HydrophobicContact CE2-CG2 4.45Å; F268-I289 HydrophobicContact CG-CG2 4.37Å; I271-I289 HydrophobicContact CB-CD1 4.45Å; I271-I289 HydrophobicContact CB-CG1 3.85Å; I271-I289 HydrophobicContact CD1-CB 4.44Å; I271-I289 HydrophobicContact CD1-CG1 3.82Å; I271-I289 HydrophobicContact CG1-CG1 4.41Å; I271-I289 HydrophobicContact CG2-CD1 4.46Å; I271-I289 HydrophobicContact CG2-CG1 3.95Å; A272-I289 HydrophobicContact CB-CD1 4.45Å; I285-I289 HydrophobicContact CG2-CD1 3.68Å; I285-I289 HydrophobicContact CG2-CG1 4.48Å; I285-I289 WeakPolarHBondContact O-CG1 3.47Å; I285-I289 PolarHBondContact O-N 2.92Å; I289-S292 PolarHBondContact O-OG 3.02Å; I289-L293 HydrophobicContact CG2-CD1 4.1Å; I289-L293 WeakPolarHBondContact O-CB 3.42Å; I289-L293 WeakPolarHBondContact O-CG 3.27Å; I289-L293 PolarHBondContact O-N 3.11Å |
| 290 | T | 90.8 | Very high | 90.7 | Very high | 63 Ų | 63 | 37.6 Ų | 37.6 | 39% | 0.387 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.5 | -42.3 | -179.8 | -50.4 | 0 | 0 | 0 | 0 | 111.3 | P286 Y287 A288 V294 | P286-T290 WeakPolarHBondContact O-CB 3.41Å; P286-T290 PolarHBondContact O-N 3.4Å; P286-T290 VanDerWaalsContact O-N 3.12Å; P286-T290 PolarHBondContact O-OG1 2.93Å; Y287-T290 PolarHBondContact O-N 3.32Å; A288-T290 PolarHBondContact O-N 3.32Å; T290-V294 WeakPolarHBondContact O-CG2 3.25Å; T290-V294 PolarHBondContact O-N 3.36Å |
| 291 | A | 92.7 | Very high | 91.3 | Very high | 23 Ų | 23 | 34.1 Ų | 34.1 | 19% | 0.19 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.7 | -43.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I59 Y287 A288 V294 I295 | I59-A291 HydrophobicContact CD1-CB 4.15Å; I59-A291 HydrophobicContact CG1-CB 4.2Å; Y287-A291 WeakPolarHBondContact O-CB 3.42Å; Y287-A291 PolarHBondContact O-N 3.47Å; A288-A291 PolarHBondContact O-N 3Å; A291-V294 PolarHBondContact O-N 2.88Å; A291-I295 WeakPolarHBondContact O-CD1 3.39Å; A291-I295 VanDerWaalsContact O-CG1 3.3Å; A291-I295 WeakPolarHBondContact O-CG1 3.2Å; A291-I295 PolarHBondContact O-N 2.9Å; A291-I295 VanDerWaalsContact O-N 3.07Å |
| 292 | S | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 179.6 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | A288 I289 V294 I295 C296 | A288-S292 WeakPolarHBondContact O-CB 3.45Å; A288-S292 PolarHBondContact O-N 3.11Å; A288-S292 PolarHBondContact O-OG 3.19Å; A288-S292 VanDerWaalsContact O-OG 3.14Å; I289-S292 PolarHBondContact O-OG 3.02Å; S292-V294 VanDerWaalsContact C-N 3.34Å; S292-V294 PolarHBondContact O-N 2.88Å; S292-I295 PolarHBondContact O-N 2.94Å; S292-C296 WeakPolarHBondContact O-CB 3.49Å; S292-C296 PolarHBondContact O-N 2.9Å; S292-C296 PolarHBondContact O-SG 3.13Å |
| 293 | L | 93.2 | Very high | 92.4 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.9 | -37.9 | 179.1 | -79.6 | 170.8 | 0 | 0 | 0 | 113.4 | S98 I99 F265 F268 I289 C296 L297 | S98-L293 WeakPolarHBondContact O-CD1 3.38Å; I99-L293 HydrophobicContact CG1-CB 4.06Å; I99-L293 HydrophobicContact CG1-CD1 4.29Å; F265-L293 HydrophobicContact CB-CD2 4.35Å; F265-L293 HydrophobicContact CD1-CD2 3.93Å; F268-L293 HydrophobicContact CB-CD1 4.48Å; F268-L293 HydrophobicContact CB-CD2 4.45Å; F268-L293 HydrophobicContact CB-CG 4.2Å; F268-L293 HydrophobicContact CD1-CD1 3.91Å; F268-L293 HydrophobicContact CD1-CD2 3.58Å; F268-L293 HydrophobicContact CD1-CG 3.98Å; F268-L293 HydrophobicContact CD2-CD1 4.39Å; F268-L293 HydrophobicContact CE1-CD1 4.19Å; F268-L293 HydrophobicContact CE1-CD2 4.13Å; F268-L293 HydrophobicContact CG-CD1 4Å; F268-L293 HydrophobicContact CG-CD2 4.23Å; F268-L293 HydrophobicContact CG-CG 4.15Å; I289-L293 HydrophobicContact CG2-CD1 4.1Å; I289-L293 WeakPolarHBondContact O-CB 3.42Å; I289-L293 WeakPolarHBondContact O-CG 3.27Å; I289-L293 PolarHBondContact O-N 3.11Å; L293-C296 PolarHBondContact O-N 3.35Å; L293-L297 WeakPolarHBondContact O-CB 3.45Å; L293-L297 PolarHBondContact O-N 3.11Å |
| 294 | V | 93.7 | Very high | 92.9 | Very high | 74 Ų | 74 | 26.7 Ų | 26.7 | 45% | 0.448 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -68.8 | -39.3 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | T290 A291 S292 T298 | T290-V294 WeakPolarHBondContact O-CG2 3.25Å; T290-V294 PolarHBondContact O-N 3.36Å; A291-V294 PolarHBondContact O-N 2.88Å; S292-V294 VanDerWaalsContact C-N 3.34Å; S292-V294 PolarHBondContact O-N 2.88Å; V294-T298 WeakPolarHBondContact O-CB 3.35Å; V294-T298 PolarHBondContact O-N 3.16Å; V294-T298 VanDerWaalsContact O-N 3.11Å; V294-T298 PolarHBondContact O-OG1 3.15Å |
| 295 | I | 93.6 | Very high | 93.2 | Very high | 66 Ų | 66 | 30.1 Ų | 30.1 | 34% | 0.338 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.6 | -46.3 | 173.7 | -67.8 | 164 | 0 | 0 | 0 | 110.2 | I59 V63 A291 S292 T298 A299 | I59-I295 HydrophobicContact CG2-CD1 4.18Å; V63-I295 HydrophobicContact CG1-CG2 3.97Å; V63-I295 HydrophobicContact CG2-CB 4.03Å; V63-I295 HydrophobicContact CG2-CD1 3.92Å; V63-I295 HydrophobicContact CG2-CG2 3.92Å; A291-I295 WeakPolarHBondContact O-CD1 3.39Å; A291-I295 VanDerWaalsContact O-CG1 3.3Å; A291-I295 WeakPolarHBondContact O-CG1 3.2Å; A291-I295 PolarHBondContact O-N 2.9Å; A291-I295 VanDerWaalsContact O-N 3.07Å; S292-I295 PolarHBondContact O-N 2.94Å; I295-T298 WeakPolarHBondContact O-CB 3.3Å; I295-T298 PolarHBondContact O-N 3.46Å; I295-A299 PolarHBondContact O-N 3.03Å |
| 296 | C | 94 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 178.7 | -64.1 | 0 | 0 | 0 | 0 | 112.1 | C66 V67 F265 S292 L293 T298 A299 Y300 | C66-C296 HydrophobicContact CB-CB 4.48Å; C66-C296 WeakPolarHBondContact CB-SG 3.47Å; V67-C296 HydrophobicContact CG2-CB 4.3Å; V67-C296 VanDerWaalsContact CG2-SG 3.56Å; F265-C296 HydrophobicContact CD1-CB 4.12Å; F265-C296 HydrophobicContact CE1-CB 4.05Å; S292-C296 WeakPolarHBondContact O-CB 3.49Å; S292-C296 PolarHBondContact O-N 2.9Å; S292-C296 PolarHBondContact O-SG 3.13Å; L293-C296 PolarHBondContact O-N 3.35Å; C296-T298 VanDerWaalsContact C-N 3.27Å; C296-T298 PolarHBondContact O-N 2.92Å; C296-A299 PolarHBondContact O-N 3.27Å; C296-Y300 HydrophobicContact CB-CD2 4.32Å; C296-Y300 HydrophobicContact CB-CE2 3.85Å; C296-Y300 WeakPolarHBondContact O-CD2 3.47Å; C296-Y300 PolarHBondContact O-N 3Å |
| 297 | L | 94.4 | Very high | 93.6 | Very high | 46 Ų | 46 | 30 Ų | 30 | 24% | 0.241 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54.6 | -44.9 | 174.6 | 163.7 | 60.2 | 0 | 0 | 0 | 111.3 | I92 A95 I99 F265 L293 V301 | I92-L297 HydrophobicContact CG1-CD1 4.45Å; A95-L297 HydrophobicContact CB-CB 4.13Å; A95-L297 HydrophobicContact CB-CD1 3.64Å; A95-L297 HydrophobicContact CB-CD2 4.25Å; A95-L297 HydrophobicContact CB-CG 4.21Å; I99-L297 HydrophobicContact CD1-CD2 4.41Å; F265-L297 HydrophobicContact CE1-CB 4.2Å; L293-L297 WeakPolarHBondContact O-CB 3.45Å; L293-L297 PolarHBondContact O-N 3.11Å; L297-V301 HydrophobicContact CD1-CG2 3.68Å; L297-V301 WeakPolarHBondContact O-CB 3.25Å; L297-V301 WeakPolarHBondContact O-CG2 3.42Å; L297-V301 PolarHBondContact O-N 3.24Å; L297-V301 VanDerWaalsContact O-N 3.09Å |
| 298 | T | 94.4 | Very high | 93.8 | Very high | 73 Ų | 73 | 23 Ų | 23 | 45% | 0.448 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -64.4 | -43 | 179.3 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | W225 V294 I295 C296 S302 | W225-T298 HydrophobicContact CH2-CG2 4.48Å; V294-T298 WeakPolarHBondContact O-CB 3.35Å; V294-T298 PolarHBondContact O-N 3.16Å; V294-T298 VanDerWaalsContact O-N 3.11Å; V294-T298 PolarHBondContact O-OG1 3.15Å; I295-T298 WeakPolarHBondContact O-CB 3.3Å; I295-T298 PolarHBondContact O-N 3.46Å; C296-T298 VanDerWaalsContact C-N 3.27Å; C296-T298 PolarHBondContact O-N 2.92Å; T298-S302 WeakPolarHBondContact O-CB 3.41Å; T298-S302 PolarHBondContact O-N 3.05Å; T298-S302 PolarHBondContact O-OG 3.34Å |
| 299 | A | 94.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.9 | -50.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | M71 I295 C296 S302 V303 | M71-A299 HydrophobicContact SD-CB 4.33Å; I295-A299 PolarHBondContact O-N 3.03Å; C296-A299 PolarHBondContact O-N 3.27Å; A299-S302 PolarHBondContact O-N 2.82Å; A299-S302 PolarHBondContact O-OG 3.48Å; A299-V303 WeakPolarHBondContact O-CB 3.48Å; A299-V303 VanDerWaalsContact O-CG2 3.31Å; A299-V303 WeakPolarHBondContact O-CG2 3.12Å; A299-V303 PolarHBondContact O-N 3.25Å |
| 300 | Y | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.4 | -43.3 | -175.7 | -62.7 | -48 | 0 | 0 | 0 | 114.2 | C66 M71 F91 A264 F265 C296 S302 S304 | C66-Y300 PolarHBondContact O-OH 3.39Å; M71-Y300 HydrophobicContact CB-CD1 4.29Å; M71-Y300 HydrophobicContact CB-CE1 3.76Å; M71-Y300 HydrophobicContact CG-CE1 4.41Å; F91-Y300 HydrophobicContact CD1-CD2 4.26Å; F91-Y300 AromaticContact CD1-CG 3.96Å; F91-Y300 HydrophobicContact CD1-CG 3.96Å; F91-Y300 HydrophobicContact CE1-CD1 4.18Å; F91-Y300 HydrophobicContact CE1-CD2 4.37Å; F91-Y300 AromaticContact CE1-CG 3.92Å; F91-Y300 HydrophobicContact CE1-CG 3.92Å; F91-Y300 HydrophobicContact CZ-CD1 4.49Å; A264-Y300 HydrophobicContact CB-CD1 4.4Å; A264-Y300 HydrophobicContact CB-CD2 4.18Å; A264-Y300 HydrophobicContact CB-CE1 3.95Å; A264-Y300 HydrophobicContact CB-CE2 3.66Å; A264-Y300 WeakPolarHBondContact O-CE2 3.34Å; A264-Y300 PolarHBondContact O-OH 2.91Å; F265-Y300 HydrophobicContact CD1-CD2 4.38Å; F265-Y300 HydrophobicContact CD1-CE2 4.23Å; F265-Y300 AromaticContact CE1-CD2 3.75Å; F265-Y300 HydrophobicContact CE1-CD2 3.75Å; F265-Y300 HydrophobicContact CE1-CE2 4.04Å; F265-Y300 HydrophobicContact CE2-CD2 4.05Å; F265-Y300 AromaticContact CZ-CD2 3.55Å; F265-Y300 HydrophobicContact CZ-CD2 3.55Å; F265-Y300 HydrophobicContact CZ-CE2 4.18Å; C296-Y300 HydrophobicContact CB-CD2 4.32Å; C296-Y300 HydrophobicContact CB-CE2 3.85Å; C296-Y300 WeakPolarHBondContact O-CD2 3.47Å; C296-Y300 PolarHBondContact O-N 3Å; Y300-S302 VanDerWaalsContact C-N 3.31Å; Y300-S302 PolarHBondContact O-N 3.09Å; Y300-S304 WeakPolarHBondContact O-CB 3.23Å; Y300-S304 PolarHBondContact O-N 3.26Å; Y300-S304 PolarHBondContact O-OG 3.05Å |
| 301 | V | 95.2 | Very high | 93.9 | Very high | 31 Ų | 31 | 21.2 Ų | 21.2 | 19% | 0.188 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 177.4 | 164.6 | 0 | 0 | 0 | 0 | 110.9 | I88 I92 L297 M305 | I88-V301 HydrophobicContact CG2-CG1 4.14Å; I92-V301 HydrophobicContact CD1-CG2 4.33Å; I92-V301 HydrophobicContact CG1-CG2 3.76Å; L297-V301 HydrophobicContact CD1-CG2 3.68Å; L297-V301 WeakPolarHBondContact O-CB 3.25Å; L297-V301 WeakPolarHBondContact O-CG2 3.42Å; L297-V301 PolarHBondContact O-N 3.24Å; L297-V301 VanDerWaalsContact O-N 3.09Å; V301-M305 WeakPolarHBondContact O-CB 3.26Å; V301-M305 PolarHBondContact O-N 3.27Å |
| 302 | S | 94.8 | Very high | 93.8 | Very high | 18 Ų | 18 | 21 Ų | 21 | 13% | 0.126 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -74.1 | -42.5 | -177.5 | 64 | 0 | 0 | 0 | 0 | 113.1 | W225 M229 T298 A299 Y300 M305 I306 | W225-S302 WeakPolarHBondContact CZ2-OG 3.35Å; W225-S302 PolarHBondContact NE1-OG 3.07Å; W225-S302 VanDerWaalsContact NE1-OG 3.17Å; M229-S302 VanDerWaalsContact SD-CB 3.54Å; T298-S302 WeakPolarHBondContact O-CB 3.41Å; T298-S302 PolarHBondContact O-N 3.05Å; T298-S302 PolarHBondContact O-OG 3.34Å; A299-S302 PolarHBondContact O-N 2.82Å; A299-S302 PolarHBondContact O-OG 3.48Å; Y300-S302 VanDerWaalsContact C-N 3.31Å; Y300-S302 PolarHBondContact O-N 3.09Å; S302-M305 PolarHBondContact O-N 3.36Å; S302-I306 PolarHBondContact O-N 3.3Å; S302-I306 VanDerWaalsContact O-N 3.12Å |
| 303 | V | 95 | Very high | 93.6 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63 | -47.4 | 173.8 | 168.2 | 0 | 0 | 0 | 0 | 111.4 | M71 W225 A299 M305 I306 L307 L322 | M71-V303 HydrophobicContact CG-CB 4.44Å; M71-V303 HydrophobicContact CG-CG1 4.22Å; M71-V303 HydrophobicContact CG-CG2 3.98Å; M71-V303 HydrophobicContact SD-CG2 3.91Å; W225-V303 VanDerWaalsContact CD1-CG2 3.43Å; A299-V303 WeakPolarHBondContact O-CB 3.48Å; A299-V303 VanDerWaalsContact O-CG2 3.31Å; A299-V303 WeakPolarHBondContact O-CG2 3.12Å; A299-V303 PolarHBondContact O-N 3.25Å; V303-M305 VanDerWaalsContact C-N 3.27Å; V303-M305 PolarHBondContact O-N 3.04Å; V303-I306 PolarHBondContact O-N 3.45Å; V303-L307 WeakPolarHBondContact O-CB 3.46Å; V303-L307 PolarHBondContact O-N 3.41Å; V303-L322 HydrophobicContact CG1-CD1 3.72Å; V303-L322 HydrophobicContact CG1-CD2 3.62Å; V303-L322 HydrophobicContact CG1-CG 4.32Å |
| 304 | S | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -35.2 | 179.3 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | F91 Y300 T308 | F91-S304 WeakPolarHBondContact CD2-OG 3.46Å; F91-S304 WeakPolarHBondContact CE2-OG 3.46Å; Y300-S304 WeakPolarHBondContact O-CB 3.23Å; Y300-S304 PolarHBondContact O-N 3.26Å; Y300-S304 PolarHBondContact O-OG 3.05Å; S304-T308 WeakPolarHBondContact O-CG2 3.22Å; S304-T308 PolarHBondContact O-N 3.33Å; S304-T308 PolarHBondContact O-OG1 3.43Å |
| 305 | M | 93.7 | Very high | 93.3 | Very high | 76 Ų | 76 | 29.7 Ų | 29.7 | 37% | 0.374 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.7 | -48.4 | 174.5 | 177.1 | 174.6 | -58.9 | 0 | 0 | 111.8 | I88 W241 V301 S302 V303 L309 | I88-M305 HydrophobicContact CD1-CB 4.02Å; W241-M305 HydrophobicContact CH2-CE 4.28Å; W241-M305 HydrophobicContact CH2-CG 3.81Å; W241-M305 HydrophobicContact CZ2-CG 4.03Å; V301-M305 WeakPolarHBondContact O-CB 3.26Å; V301-M305 PolarHBondContact O-N 3.27Å; S302-M305 PolarHBondContact O-N 3.36Å; V303-M305 VanDerWaalsContact C-N 3.27Å; V303-M305 PolarHBondContact O-N 3.04Å; M305-L309 HydrophobicContact CG-CD1 3.82Å; M305-L309 VanDerWaalsContact O-CB 3.27Å; M305-L309 WeakPolarHBondContact O-CB 3.05Å; M305-L309 WeakPolarHBondContact O-CD1 3.31Å; M305-L309 VanDerWaalsContact O-CG 3.25Å; M305-L309 WeakPolarHBondContact O-CG 3.4Å; M305-L309 PolarHBondContact O-N 3.2Å; M305-L309 VanDerWaalsContact O-N 3.16Å |
| 306 | I | 94.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.7 | -47.3 | 178.2 | -83.7 | 176.6 | 0 | 0 | 0 | 111.9 | M229 I236 S302 V303 T308 L309 M310 M325 | M229-I306 HydrophobicContact CE-CD1 3.41Å; M229-I306 VanDerWaalsContact CE-CD1 3.41Å; M229-I306 HydrophobicContact CE-CG1 4.22Å; M229-I306 WeakPolarHBondContact O-CD1 3.48Å; M229-I306 HydrophobicContact SD-CD1 3.74Å; I236-I306 HydrophobicContact CD1-CG1 4.26Å; S302-I306 PolarHBondContact O-N 3.3Å; S302-I306 VanDerWaalsContact O-N 3.12Å; V303-I306 PolarHBondContact O-N 3.45Å; I306-T308 VanDerWaalsContact C-N 3.3Å; I306-T308 PolarHBondContact O-N 3.47Å; I306-L309 PolarHBondContact O-N 2.94Å; I306-L309 VanDerWaalsContact O-N 3.12Å; I306-M310 WeakPolarHBondContact O-CB 3.45Å; I306-M310 PolarHBondContact O-N 2.98Å; I306-M325 HydrophobicContact CG2-CE 4.31Å |
| 307 | L | 93.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -54.7 | -46.2 | -178.2 | 176.1 | 61.2 | 0 | 0 | 0 | 111.7 | V303 V311 I316 P321 L322 M325 | V303-L307 WeakPolarHBondContact O-CB 3.46Å; V303-L307 PolarHBondContact O-N 3.41Å; L307-V311 PolarHBondContact O-N 3.12Å; L307-I316 HydrophobicContact CD1-CD1 4.3Å; L307-I316 HydrophobicContact CD1-CG1 4.35Å; L307-I316 HydrophobicContact CD1-CG2 4.4Å; L307-I316 HydrophobicContact CD2-CD1 4.29Å; L307-I316 HydrophobicContact CD2-CG2 4.4Å; L307-I316 HydrophobicContact CG-CD1 3.93Å; L307-P321 HydrophobicContact CD1-CB 4.15Å; L307-P321 HydrophobicContact CD2-CB 3.97Å; L307-L322 HydrophobicContact CB-CD2 4.33Å; L307-L322 HydrophobicContact CD1-CD2 4.3Å; L307-L322 HydrophobicContact CD2-CD2 4.11Å; L307-L322 HydrophobicContact CG-CD2 4.48Å; L307-M325 HydrophobicContact CB-SD 4.33Å; L307-M325 HydrophobicContact CD1-CB 4.15Å; L307-M325 HydrophobicContact CD1-CG 4.45Å; L307-M325 HydrophobicContact CD1-SD 3.65Å |
| 308 | T | 93.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -84 | -9.6 | -178.2 | 62.6 | 0 | 0 | 0 | 0 | 114.9 | A79 V87 W241 S304 I306 I316 | A79-T308 HydrophobicContact CB-CG2 3.91Å; V87-T308 HydrophobicContact CG1-CG2 3.86Å; W241-T308 PolarHBondContact NE1-O 2.85Å; W241-T308 PolarHBondContact NE1-OG1 2.96Å; S304-T308 WeakPolarHBondContact O-CG2 3.22Å; S304-T308 PolarHBondContact O-N 3.33Å; S304-T308 PolarHBondContact O-OG1 3.43Å; I306-T308 VanDerWaalsContact C-N 3.3Å; I306-T308 PolarHBondContact O-N 3.47Å; T308-I316 HydrophobicContact CG2-CD1 4.32Å |
| 309 | L | 92.8 | Very high | 91.4 | Very high | 18 Ų | 18 | 28.3 Ų | 28.3 | 9% | 0.094 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -94.2 | -20.5 | 169 | -78.7 | 172.4 | 0 | 0 | 0 | 113 | I236 N237 Y240 W241 M305 I306 | I236-L309 HydrophobicContact CB-CB 4.38Å; I236-L309 HydrophobicContact CD1-CB 4.46Å; I236-L309 HydrophobicContact CD1-CD1 4.05Å; I236-L309 HydrophobicContact CG1-CB 3.92Å; I236-L309 HydrophobicContact CG1-CD1 4.38Å; I236-L309 HydrophobicContact CG2-CB 4.07Å; I236-L309 HydrophobicContact CG2-CD1 4.12Å; I236-L309 HydrophobicContact CG2-CD2 4.38Å; I236-L309 HydrophobicContact CG2-CG 4.43Å; N237-L309 PolarHBondContact N-O 3.28Å; Y240-L309 WeakPolarHBondContact CD2-O 3.25Å; W241-L309 HydrophobicContact CD2-CD2 3.62Å; W241-L309 HydrophobicContact CD2-CG 4.16Å; W241-L309 VanDerWaalsContact CE2-CD2 3.49Å; W241-L309 HydrophobicContact CE3-CD2 4.26Å; W241-L309 HydrophobicContact CG-CD2 3.77Å; W241-L309 HydrophobicContact CH2-CD1 4.12Å; W241-L309 HydrophobicContact CH2-CG 4.31Å; W241-L309 HydrophobicContact CZ2-CD1 3.84Å; W241-L309 HydrophobicContact CZ2-CD2 4.01Å; W241-L309 HydrophobicContact CZ2-CG 3.58Å; M305-L309 HydrophobicContact CG-CD1 3.82Å; M305-L309 VanDerWaalsContact O-CB 3.27Å; M305-L309 WeakPolarHBondContact O-CB 3.05Å; M305-L309 WeakPolarHBondContact O-CD1 3.31Å; M305-L309 VanDerWaalsContact O-CG 3.25Å; M305-L309 WeakPolarHBondContact O-CG 3.4Å; M305-L309 PolarHBondContact O-N 3.2Å; M305-L309 VanDerWaalsContact O-N 3.16Å; I306-L309 PolarHBondContact O-N 2.94Å; I306-L309 VanDerWaalsContact O-N 3.12Å |
| 310 | M | 92.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -93.3 | -43.7 | -179.8 | -172.9 | 174.6 | 178.2 | 0 | 0 | 111.1 | F235 Y240 I306 M325 F326 H329 | F235-M310 HydrophobicContact CB-CE 3.75Å; F235-M310 HydrophobicContact CB-CG 3.87Å; F235-M310 HydrophobicContact CB-SD 4.15Å; F235-M310 HydrophobicContact CD2-CE 3.83Å; F235-M310 HydrophobicContact CG-CE 3.87Å; Y240-M310 WeakPolarHBondContact CE2-O 3.36Å; I306-M310 WeakPolarHBondContact O-CB 3.45Å; I306-M310 PolarHBondContact O-N 2.98Å; M310-M325 HydrophobicContact CE-CG 4.48Å; M310-M325 WeakPolarHBondContact CE-O 3.17Å; M310-M325 HydrophobicContact SD-CB 4.29Å; M310-M325 HydrophobicContact SD-CE 4.44Å; M310-M325 HydrophobicContact SD-CG 4.03Å; M310-M325 HydrophobicContact SD-SD 4.06Å; M310-F326 HydrophobicContact CE-CD1 3.56Å; M310-F326 HydrophobicContact CE-CE1 3.82Å; M310-F326 HydrophobicContact CE-CG 4.12Å; M310-F326 HydrophobicContact SD-CE1 4.39Å; M310-H329 HydrophobicContact CE-CB 4.26Å; M310-H329 PolarHBondContact O-CE1 3.12Å; M310-H329 PolarHBondContact O-NE2 3.32Å |
| 311 | V | 91.7 | Very high | 90.7 | Very high | 9 Ų | 9 | 28.4 Ų | 28.4 | 6% | 0.055 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -121.3 | 133.1 | -179.9 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | L307 A315 I316 M325 | L307-V311 PolarHBondContact O-N 3.12Å; V311-A315 HydrophobicContact CG1-CB 4.12Å; V311-I316 HydrophobicContact CB-CG1 4.19Å; V311-I316 HydrophobicContact CG1-CG1 3.83Å; V311-M325 HydrophobicContact CG2-CB 3.59Å |
| 312 | P | 91.8 | Very high | 90.5 | Very high | 18 Ų | 18 | 27 Ų | 27 | 12% | 0.117 | 14% | 0.14 | C | C | . | . | trans | -65.8 | 137.5 | 175.8 | 26.8 | -32.6 | 0 | 0 | 0 | 110.5 | Y240 Y314 A315 | Y240-P312 HydrophobicContact CD1-CB 3.74Å; Y240-P312 HydrophobicContact CD1-CG 4.39Å; Y240-P312 HydrophobicContact CE1-CB 3.83Å; Y240-P312 HydrophobicContact CE1-CG 3.98Å; Y240-P312 HydrophobicContact CG-CB 4.27Å; P312-Y314 VanDerWaalsContact C-N 3.26Å; P312-Y314 HydrophobicContact CB-CD1 4.36Å; P312-Y314 HydrophobicContact CB-CE1 3.74Å; P312-Y314 HydrophobicContact CB-CE2 4.05Å; P312-Y314 HydrophobicContact CG-CE1 4.49Å; P312-Y314 HydrophobicContact CG-CE2 3.91Å; P312-Y314 PolarHBondContact O-N 3.33Å; P312-A315 HydrophobicContact CG-CB 4.1Å; P312-A315 PolarHBondContact O-N 2.9Å | ||
| 313 | Y | 89.8 | Confident | 90.2 | Very high | 53 Ų | 53 | 26.2 Ų | 26.2 | 21% | 0.208 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -53.1 | -35.8 | -163.7 | 70.1 | -87.7 | 0 | 0 | 0 | 115.4 | K80 P248 A315 I316 | K80-Y313 WeakPolarHBondContact CG-O 3.36Å; P248-Y313 HydrophobicContact CB-CE1 4.31Å; P248-Y313 HydrophobicContact CB-CE2 4.25Å; P248-Y313 HydrophobicContact CG-CD2 4.48Å; P248-Y313 HydrophobicContact CG-CE1 4.18Å; P248-Y313 HydrophobicContact CG-CE2 4.03Å; Y313-A315 VanDerWaalsContact C-N 3.3Å; Y313-A315 PolarHBondContact O-N 3.18Å; Y313-I316 PolarHBondContact O-N 3.41Å |
| 314 | Y | 89.6 | Confident | 89.9 | Confident | 146 Ų | 146 | 28.7 Ų | 28.7 | 57% | 0.573 | 15% | 0.146 | S | C | * | . | G | 310 helix | trans | -68.8 | -22.8 | 178.5 | 50.5 | -99.8 | 0 | 0 | 0 | 114.3 | P312 | P312-Y314 VanDerWaalsContact C-N 3.26Å; P312-Y314 HydrophobicContact CB-CD1 4.36Å; P312-Y314 HydrophobicContact CB-CE1 3.74Å; P312-Y314 HydrophobicContact CB-CE2 4.05Å; P312-Y314 HydrophobicContact CG-CE1 4.49Å; P312-Y314 HydrophobicContact CG-CE2 3.91Å; P312-Y314 PolarHBondContact O-N 3.33Å |
| 315 | A | 90.1 | Very high | 89.7 | Confident | 61 Ų | 61 | 29 Ų | 29 | 50% | 0.504 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -98.5 | 1.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V311 P312 Y313 | V311-A315 HydrophobicContact CG1-CB 4.12Å; P312-A315 HydrophobicContact CG-CB 4.1Å; P312-A315 PolarHBondContact O-N 2.9Å; Y313-A315 VanDerWaalsContact C-N 3.3Å; Y313-A315 PolarHBondContact O-N 3.18Å |
| 316 | I | 91 | Very high | 89.7 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.015 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -65.7 | 138.1 | 174.6 | -67 | 175.9 | 0 | 0 | 0 | 109.5 | A79 K80 L307 T308 V311 Y313 P321 | A79-I316 HydrophobicContact CB-CD1 3.8Å; K80-I316 HydrophobicContact CB-CB 4.48Å; K80-I316 VanDerWaalsContact CD-O 3.27Å; K80-I316 WeakPolarHBondContact CD-O 3.35Å; K80-I316 WeakPolarHBondContact CE-O 3.46Å; K80-I316 PolarHBondContact NZ-O 3.21Å; L307-I316 HydrophobicContact CD1-CD1 4.3Å; L307-I316 HydrophobicContact CD1-CG1 4.35Å; L307-I316 HydrophobicContact CD1-CG2 4.4Å; L307-I316 HydrophobicContact CD2-CD1 4.29Å; L307-I316 HydrophobicContact CD2-CG2 4.4Å; L307-I316 HydrophobicContact CG-CD1 3.93Å; T308-I316 HydrophobicContact CG2-CD1 4.32Å; V311-I316 HydrophobicContact CB-CG1 4.19Å; V311-I316 HydrophobicContact CG1-CG1 3.83Å; Y313-I316 PolarHBondContact O-N 3.41Å; I316-P321 HydrophobicContact CG2-CB 3.77Å |
| 317 | D | 86.6 | Confident | 89.4 | Confident | 41 Ų | 41 | 26.7 Ų | 26.7 | 22% | 0.219 | 14% | 0.138 | C | C | . | . | trans | -74 | 139.1 | 170.2 | -179.6 | -137.9 | 0 | 0 | 0 | 111.2 | E319 S320 P321 E324 | D317-E319 PolarHBondContact OD2-N 3.47Å; D317-S320 WeakPolarHBondContact OD1-CA 3.14Å; D317-S320 WeakPolarHBondContact OD1-CB 3.22Å; D317-S320 PolarHBondContact OD1-N 2.81Å; D317-S320 PolarHBondContact OD1-OG 3.26Å; D317-P321 WeakPolarHBondContact O-CB 3.06Å; D317-P321 WeakPolarHBondContact O-CD 3.33Å; D317-E324 HydrophobicContact CB-CB 4.27Å; D317-E324 HydrophobicContact CB-CG 4.42Å | ||
| 318 | T | 79.8 | Confident | 89 | Confident | 46 Ų | 46 | 30.2 Ų | 30.2 | 28% | 0.282 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -80.9 | -26.2 | -178.5 | 32.1 | 0 | 0 | 0 | 0 | 113.5 | L77 K80 | L77-T318 HydrophobicContact CD1-CG2 4.06Å; K80-T318 HydrophobicContact CD-CG2 3.54Å |
| 319 | E | 78.8 | Confident | 88.8 | Confident | 66 Ų | 66 | 33.5 Ų | 33.5 | 31% | 0.308 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -91 | -52.7 | -177.7 | -77.1 | -165.8 | -147 | 0 | 0 | 111.7 | S156 M157 H164 D317 P321 | S156-E319 WeakPolarHBondContact OG-CB 3.24Å; S156-E319 PolarHBondContact OG-OE2 2.9Å; M157-E319 WeakPolarHBondContact CE-O 3.25Å; H164-E319 IonicContact CE1-OE2 3.91Å; D317-E319 PolarHBondContact OD2-N 3.47Å; E319-P321 WeakPolarHBondContact O-CD 3.2Å |
| 320 | S | 85.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | trans | -126.7 | 47 | -168.9 | 64.1 | 0 | 0 | 0 | 0 | 114.8 | S160 D317 L322 M323 E324 | S160-S320 WeakPolarHBondContact CB-OG 3.42Å; S160-S320 VanDerWaalsContact OG-CB 3.29Å; S160-S320 WeakPolarHBondContact OG-CB 3.3Å; S160-S320 PolarHBondContact OG-OG 2.96Å; D317-S320 WeakPolarHBondContact OD1-CA 3.14Å; D317-S320 WeakPolarHBondContact OD1-CB 3.22Å; D317-S320 PolarHBondContact OD1-N 2.81Å; D317-S320 PolarHBondContact OD1-OG 3.26Å; S320-L322 VanDerWaalsContact C-N 3.34Å; S320-L322 PolarHBondContact O-N 3.38Å; S320-L322 VanDerWaalsContact O-N 3.15Å; S320-M323 PolarHBondContact O-N 2.72Å; S320-E324 PolarHBondContact O-N 2.55Å; S320-E324 VanDerWaalsContact O-N 3.14Å | ||
| 321 | P | 90.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -52.4 | -43.5 | -169.6 | 21.4 | -35.4 | 0 | 0 | 0 | 114.7 | Y72 L307 I316 D317 E319 M323 M325 | Y72-P321 VanDerWaalsContact O-CD 3.28Å; Y72-P321 WeakPolarHBondContact O-CD 3.43Å; Y72-P321 WeakPolarHBondContact O-CG 3.4Å; L307-P321 HydrophobicContact CD1-CB 4.15Å; L307-P321 HydrophobicContact CD2-CB 3.97Å; I316-P321 HydrophobicContact CG2-CB 3.77Å; D317-P321 WeakPolarHBondContact O-CB 3.06Å; D317-P321 WeakPolarHBondContact O-CD 3.33Å; E319-P321 WeakPolarHBondContact O-CD 3.2Å; P321-M323 VanDerWaalsContact C-N 3.32Å; P321-M323 PolarHBondContact O-N 3.02Å; P321-M325 WeakPolarHBondContact O-CB 3.18Å; P321-M325 PolarHBondContact O-N 3.41Å; P321-M325 VanDerWaalsContact O-N 3.15Å |
| 322 | L | 91.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75.3 | -20.4 | -176.3 | -54.3 | -170.7 | 0 | 0 | 0 | 113.3 | M71 Y72 I228 V303 L307 S320 M325 V338 | M71-L322 HydrophobicContact CG-CD1 4.33Å; Y72-L322 HydrophobicContact CD1-CD1 3.83Å; Y72-L322 HydrophobicContact CE1-CD1 4.21Å; I228-L322 HydrophobicContact CD1-CD1 4.37Å; V303-L322 HydrophobicContact CG1-CD1 3.72Å; V303-L322 HydrophobicContact CG1-CD2 3.62Å; V303-L322 HydrophobicContact CG1-CG 4.32Å; L307-L322 HydrophobicContact CB-CD2 4.33Å; L307-L322 HydrophobicContact CD1-CD2 4.3Å; L307-L322 HydrophobicContact CD2-CD2 4.11Å; L307-L322 HydrophobicContact CG-CD2 4.48Å; S320-L322 VanDerWaalsContact C-N 3.34Å; S320-L322 PolarHBondContact O-N 3.38Å; S320-L322 VanDerWaalsContact O-N 3.15Å; L322-M325 HydrophobicContact CB-CE 4.39Å; L322-M325 HydrophobicContact CD2-CE 4.2Å; L322-M325 HydrophobicContact CD2-SD 4.17Å; L322-V338 HydrophobicContact CB-CG1 4Å |
| 323 | M | 88.8 | Confident | 88 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -83.3 | -49.1 | 176.2 | -74.3 | 169 | 48.1 | 0 | 0 | 110.4 | M157 S320 P321 M325 K335 V338 A339 | M157-M323 HydrophobicContact SD-SD 3.69Å; M157-M323 VanDerWaalsContact SD-SD 3.69Å; S320-M323 PolarHBondContact O-N 2.72Å; P321-M323 VanDerWaalsContact C-N 3.32Å; P321-M323 PolarHBondContact O-N 3.02Å; M323-M325 PolarHBondContact O-N 3.5Å; M323-K335 HydrophobicContact CB-CG 4.34Å; M323-K335 HydrophobicContact CE-CG 4.39Å; M323-V338 HydrophobicContact CG-CB 4.11Å; M323-V338 HydrophobicContact CG-CG1 3.67Å; M323-A339 HydrophobicContact CE-CB 3.96Å; M323-A339 HydrophobicContact SD-CB 4.05Å |
| 324 | E | 88.4 | Confident | 88 | Confident | 53 Ų | 53 | 44.7 Ų | 44.7 | 25% | 0.248 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -75.4 | -22.2 | -175.8 | -67.4 | -52.1 | 118.8 | 0 | 0 | 114.2 | D317 S320 F326 V327 A328 K335 | D317-E324 HydrophobicContact CB-CB 4.27Å; D317-E324 HydrophobicContact CB-CG 4.42Å; S320-E324 PolarHBondContact O-N 2.55Å; S320-E324 VanDerWaalsContact O-N 3.14Å; E324-F326 PolarHBondContact O-N 3.18Å; E324-V327 WeakPolarHBondContact O-CA 3.43Å; E324-V327 WeakPolarHBondContact O-CB 3.25Å; E324-V327 PolarHBondContact O-N 3.42Å; E324-V327 WeakPolarHBondContact OE2-CB 3.44Å; E324-V327 WeakPolarHBondContact OE2-CG2 3.2Å; E324-A328 PolarHBondContact O-N 3.01Å; E324-K335 WeakPolarHBondContact OE1-CD 3.32Å; E324-K335 VanDerWaalsContact OE1-CE 3.29Å; E324-K335 WeakPolarHBondContact OE1-CE 3.48Å; E324-K335 IonicContact OE1-NZ 2.84Å; E324-K335 PolarHBondContact OE1-NZ 3.15Å |
| 325 | M | 90.9 | Very high | 88 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.6 | -33.8 | 176.3 | 68.3 | -179.9 | -171.1 | 0 | 0 | 113.3 | I228 I306 L307 M310 V311 P321 L322 M323 H329 | I228-M325 HydrophobicContact CG2-CE 3.65Å; I306-M325 HydrophobicContact CG2-CE 4.31Å; L307-M325 HydrophobicContact CB-SD 4.33Å; L307-M325 HydrophobicContact CD1-CB 4.15Å; L307-M325 HydrophobicContact CD1-CG 4.45Å; L307-M325 HydrophobicContact CD1-SD 3.65Å; M310-M325 HydrophobicContact CE-CG 4.48Å; M310-M325 WeakPolarHBondContact CE-O 3.17Å; M310-M325 HydrophobicContact SD-CB 4.29Å; M310-M325 HydrophobicContact SD-CE 4.44Å; M310-M325 HydrophobicContact SD-CG 4.03Å; M310-M325 HydrophobicContact SD-SD 4.06Å; V311-M325 HydrophobicContact CG2-CB 3.59Å; P321-M325 WeakPolarHBondContact O-CB 3.18Å; P321-M325 PolarHBondContact O-N 3.41Å; P321-M325 VanDerWaalsContact O-N 3.15Å; L322-M325 HydrophobicContact CB-CE 4.39Å; L322-M325 HydrophobicContact CD2-CE 4.2Å; L322-M325 HydrophobicContact CD2-SD 4.17Å; M323-M325 PolarHBondContact O-N 3.5Å; M325-H329 PolarHBondContact O-ND1 3.2Å |
| 326 | F | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.4 | -30.2 | 173.8 | -71.7 | -72.9 | 0 | 0 | 0 | 113.1 | I228 A231 F235 M310 E324 H329 G330 F331 A334 V338 | I228-F326 HydrophobicContact CG1-CE2 4.47Å; A231-F326 HydrophobicContact CB-CE1 3.76Å; A231-F326 HydrophobicContact CB-CZ 3.85Å; F235-F326 HydrophobicContact CD2-CE1 4.47Å; M310-F326 HydrophobicContact CE-CD1 3.56Å; M310-F326 HydrophobicContact CE-CE1 3.82Å; M310-F326 HydrophobicContact CE-CG 4.12Å; M310-F326 HydrophobicContact SD-CE1 4.39Å; E324-F326 PolarHBondContact O-N 3.18Å; F326-H329 CarbonylContact O-C 3.24Å; F326-H329 PolarHBondContact O-N 2.84Å; F326-G330 PolarHBondContact O-N 3.32Å; F326-F331 AromaticContact CD1-CD1 3.89Å; F326-F331 HydrophobicContact CD1-CD1 3.89Å; F326-F331 HydrophobicContact CE1-CD1 4.36Å; F326-F331 PolarHBondContact O-N 3.44Å; F326-A334 HydrophobicContact CB-CB 3.83Å; F326-A334 HydrophobicContact CD1-CB 3.63Å; F326-A334 HydrophobicContact CD2-CB 3.84Å; F326-A334 HydrophobicContact CE1-CB 4.14Å; F326-A334 HydrophobicContact CE2-CB 4.3Å; F326-A334 HydrophobicContact CG-CB 3.48Å; F326-A334 VanDerWaalsContact CG-CB 3.48Å; F326-A334 HydrophobicContact CZ-CB 4.45Å; F326-V338 HydrophobicContact CD2-CG2 4.02Å; F326-V338 HydrophobicContact CE2-CG2 3.84Å |
| 327 | V | 89.1 | Confident | 88.2 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 19% | 0.194 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.9 | -41.1 | 175 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | E324 H329 G330 Y332 K335 | E324-V327 WeakPolarHBondContact O-CA 3.43Å; E324-V327 WeakPolarHBondContact O-CB 3.25Å; E324-V327 PolarHBondContact O-N 3.42Å; E324-V327 WeakPolarHBondContact OE2-CB 3.44Å; E324-V327 WeakPolarHBondContact OE2-CG2 3.2Å; V327-H329 PolarHBondContact O-N 3.5Å; V327-G330 PolarHBondContact O-N 2.82Å; V327-Y332 HydrophobicContact CG1-CD1 4.48Å; V327-Y332 HydrophobicContact CG1-CE1 3.93Å; V327-K335 HydrophobicContact CG2-CB 4.08Å; V327-K335 HydrophobicContact CG2-CD 3.66Å; V327-K335 HydrophobicContact CG2-CG 4.39Å |
| 328 | A | 86.7 | Confident | 88.5 | Confident | 76 Ų | 76 | 42.2 Ų | 42.2 | 63% | 0.628 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -21.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E324 | E324-A328 PolarHBondContact O-N 3.01Š|
| 329 | H | 87.7 | Confident | 89.1 | Confident | 70 Ų | 70 | 40.4 Ų | 40.4 | 32% | 0.324 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 8.3 | 176.5 | -65.9 | 81.9 | 0 | 0 | 0 | 113.4 | F235 M310 M325 F326 V327 F331 | F235-H329 HydrophobicContact CD1-CB 3.83Å; F235-H329 AromaticContact CD1-CD2 3.87Å; F235-H329 AromaticContact CD1-CG 3.97Å; F235-H329 HydrophobicContact CE1-CB 4Å; F235-H329 HydrophobicContact CG-CB 4.41Å; M310-H329 HydrophobicContact CE-CB 4.26Å; M310-H329 PolarHBondContact O-CE1 3.12Å; M310-H329 PolarHBondContact O-NE2 3.32Å; M325-H329 PolarHBondContact O-ND1 3.2Å; F326-H329 CarbonylContact O-C 3.24Å; F326-H329 PolarHBondContact O-N 2.84Å; V327-H329 PolarHBondContact O-N 3.5Å; H329-F331 VanDerWaalsContact C-N 3.28Å; H329-F331 PolarHBondContact O-N 3.39Å |
| 330 | G | 86.3 | Confident | 89.7 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 43% | 0.433 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 7.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | F326 V327 Y332 | F326-G330 PolarHBondContact O-N 3.32Å; V327-G330 PolarHBondContact O-N 2.82Å; G330-Y332 VanDerWaalsContact C-N 3.34Å; G330-Y332 WeakPolarHBondContact O-CD2 3.41Å; G330-Y332 PolarHBondContact O-N 3.43Å; G330-Y332 VanDerWaalsContact O-N 3.15Å |
| 331 | F | 88.9 | Confident | 90.1 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | trans | -92 | 61.8 | -175.7 | -170.3 | -151.3 | 0 | 0 | 0 | 112.3 | F235 F326 H329 A333 A334 | F235-F331 HydrophobicContact CE2-CD1 4.04Å; F235-F331 HydrophobicContact CZ-CB 4.26Å; F235-F331 HydrophobicContact CZ-CD1 4.21Å; F235-F331 HydrophobicContact CZ-CG 4.46Å; F326-F331 AromaticContact CD1-CD1 3.89Å; F326-F331 HydrophobicContact CD1-CD1 3.89Å; F326-F331 HydrophobicContact CE1-CD1 4.36Å; F326-F331 PolarHBondContact O-N 3.44Å; H329-F331 VanDerWaalsContact C-N 3.28Å; H329-F331 PolarHBondContact O-N 3.39Å; F331-A333 HydrophobicContact CD2-CB 4.32Å; F331-A333 HydrophobicContact CE2-CB 3.94Å; F331-A333 PolarHBondContact O-N 3.04Å; F331-A334 HydrophobicContact CD1-CB 3.55Å; F331-A334 HydrophobicContact CE1-CB 3.71Å; F331-A334 HydrophobicContact CG-CB 4.12Å; F331-A334 HydrophobicContact CZ-CB 4.39Å; F331-A334 WeakPolarHBondContact O-CB 3.36Å; F331-A334 PolarHBondContact O-N 3.36Å | ||
| 332 | Y | 87.3 | Confident | 90.2 | Very high | 148 Ų | 148 | 41.7 Ų | 41.7 | 58% | 0.58 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -52.8 | -30.4 | -174.8 | -62.3 | -83.6 | 0 | 0 | 0 | 115.1 | V327 G330 A334 K335 F336 | V327-Y332 HydrophobicContact CG1-CD1 4.48Å; V327-Y332 HydrophobicContact CG1-CE1 3.93Å; G330-Y332 VanDerWaalsContact C-N 3.34Å; G330-Y332 WeakPolarHBondContact O-CD2 3.41Å; G330-Y332 PolarHBondContact O-N 3.43Å; G330-Y332 VanDerWaalsContact O-N 3.15Å; Y332-A334 VanDerWaalsContact C-N 3.25Å; Y332-A334 PolarHBondContact O-N 2.95Å; Y332-K335 PolarHBondContact O-N 2.6Å; Y332-F336 WeakPolarHBondContact O-CD2 3.48Å |
| 333 | A | 89.6 | Confident | 90.3 | Very high | 63 Ų | 63 | 43.8 Ų | 43.8 | 52% | 0.521 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.3 | -33.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F331 V337 | F331-A333 HydrophobicContact CD2-CB 4.32Å; F331-A333 HydrophobicContact CE2-CB 3.94Å; F331-A333 PolarHBondContact O-N 3.04Å; A333-V337 PolarHBondContact O-N 3.16Å |
| 334 | A | 89.8 | Confident | 90.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.7 | -32.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F227 F326 F331 Y332 F336 V337 V338 | F227-A334 HydrophobicContact CE1-CB 3.99Å; F227-A334 HydrophobicContact CZ-CB 4.09Å; F326-A334 HydrophobicContact CB-CB 3.83Å; F326-A334 HydrophobicContact CD1-CB 3.63Å; F326-A334 HydrophobicContact CD2-CB 3.84Å; F326-A334 HydrophobicContact CE1-CB 4.14Å; F326-A334 HydrophobicContact CE2-CB 4.3Å; F326-A334 HydrophobicContact CG-CB 3.48Å; F326-A334 VanDerWaalsContact CG-CB 3.48Å; F326-A334 HydrophobicContact CZ-CB 4.45Å; F331-A334 HydrophobicContact CD1-CB 3.55Å; F331-A334 HydrophobicContact CE1-CB 3.71Å; F331-A334 HydrophobicContact CG-CB 4.12Å; F331-A334 HydrophobicContact CZ-CB 4.39Å; F331-A334 WeakPolarHBondContact O-CB 3.36Å; F331-A334 PolarHBondContact O-N 3.36Å; Y332-A334 VanDerWaalsContact C-N 3.25Å; Y332-A334 PolarHBondContact O-N 2.95Å; A334-F336 PolarHBondContact O-N 3.05Å; A334-V337 PolarHBondContact O-N 3.42Å; A334-V337 VanDerWaalsContact O-N 3.13Å; A334-V338 WeakPolarHBondContact O-CG2 3.33Å; A334-V338 PolarHBondContact O-N 2.91Å |
| 335 | K | 89.1 | Confident | 90.7 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 8% | 0.078 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.9 | -43.1 | 175.1 | 173.1 | 164.4 | 176.7 | 166.8 | 0 | 111.1 | S160 M323 E324 V327 Y332 A339 | S160-K335 PolarHBondContact O-NZ 3.42Å; M323-K335 HydrophobicContact CB-CG 4.34Å; M323-K335 HydrophobicContact CE-CG 4.39Å; E324-K335 WeakPolarHBondContact OE1-CD 3.32Å; E324-K335 VanDerWaalsContact OE1-CE 3.29Å; E324-K335 WeakPolarHBondContact OE1-CE 3.48Å; E324-K335 IonicContact OE1-NZ 2.84Å; E324-K335 PolarHBondContact OE1-NZ 3.15Å; V327-K335 HydrophobicContact CG2-CB 4.08Å; V327-K335 HydrophobicContact CG2-CD 3.66Å; V327-K335 HydrophobicContact CG2-CG 4.39Å; Y332-K335 PolarHBondContact O-N 2.6Å; K335-A339 VanDerWaalsContact O-CB 3.26Å; K335-A339 WeakPolarHBondContact O-CB 3.43Å; K335-A339 PolarHBondContact O-N 3.03Å |
| 336 | F | 91 | Very high | 90.8 | Very high | 127 Ų | 127 | 41 Ų | 41 | 56% | 0.557 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -70.3 | -38.3 | 178.7 | -64.2 | -73 | 0 | 0 | 0 | 113.5 | L161 Y332 A334 A339 I340 | L161-F336 HydrophobicContact CD1-CD1 4.27Å; L161-F336 HydrophobicContact CD1-CE1 4.11Å; Y332-F336 WeakPolarHBondContact O-CD2 3.48Å; A334-F336 PolarHBondContact O-N 3.05Å; F336-A339 PolarHBondContact O-N 3.25Å; F336-I340 WeakPolarHBondContact O-CG1 3.45Å; F336-I340 PolarHBondContact O-N 2.87Å; F336-I340 VanDerWaalsContact O-N 3.1Å |
| 337 | V | 93.7 | Very high | 90.8 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 33% | 0.327 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | V224 F227 A333 A334 I340 G341 | V224-V337 HydrophobicContact CG1-CG1 4.48Å; V224-V337 WeakPolarHBondContact CG1-O 3.28Å; V224-V337 HydrophobicContact CG2-CG1 4.34Å; F227-V337 HydrophobicContact CD1-CB 4.13Å; F227-V337 HydrophobicContact CD1-CG1 3.49Å; F227-V337 VanDerWaalsContact CD1-CG1 3.49Å; F227-V337 HydrophobicContact CD2-CG1 4.42Å; F227-V337 HydrophobicContact CE1-CB 3.79Å; F227-V337 HydrophobicContact CE1-CG1 3.67Å; F227-V337 HydrophobicContact CE1-CG2 4.4Å; F227-V337 HydrophobicContact CG-CG1 3.9Å; F227-V337 HydrophobicContact CZ-CB 4.24Å; F227-V337 HydrophobicContact CZ-CG1 4.22Å; F227-V337 HydrophobicContact CZ-CG2 4.36Å; A333-V337 PolarHBondContact O-N 3.16Å; A334-V337 PolarHBondContact O-N 3.42Å; A334-V337 VanDerWaalsContact O-N 3.13Å; V337-I340 PolarHBondContact O-N 3.03Å; V337-G341 PolarHBondContact O-N 2.96Å |
| 338 | V | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 175.7 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | Y72 I228 L322 M323 F326 A334 I340 G341 S342 | Y72-V338 HydrophobicContact CE1-CG1 4.3Å; I228-V338 HydrophobicContact CD1-CG1 4.07Å; I228-V338 HydrophobicContact CD1-CG2 4Å; I228-V338 HydrophobicContact CG1-CG2 3.67Å; L322-V338 HydrophobicContact CB-CG1 4Å; M323-V338 HydrophobicContact CG-CB 4.11Å; M323-V338 HydrophobicContact CG-CG1 3.67Å; F326-V338 HydrophobicContact CD2-CG2 4.02Å; F326-V338 HydrophobicContact CE2-CG2 3.84Å; A334-V338 WeakPolarHBondContact O-CG2 3.33Å; A334-V338 PolarHBondContact O-N 2.91Å; V338-I340 VanDerWaalsContact C-N 3.31Å; V338-I340 PolarHBondContact O-N 3.42Å; V338-G341 CarbonylContact O-C 3.54Å; V338-G341 WeakPolarHBondContact O-CA 3.14Å; V338-G341 PolarHBondContact O-N 3.19Å; V338-G341 VanDerWaalsContact O-N 3.08Å; V338-S342 PolarHBondContact O-N 3.49Å |
| 339 | A | 92.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 7% | 0.066 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -36.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L161 M323 K335 F336 G341 S342 V343 | L161-A339 HydrophobicContact CD1-CB 4.35Å; M323-A339 HydrophobicContact CE-CB 3.96Å; M323-A339 HydrophobicContact SD-CB 4.05Å; K335-A339 VanDerWaalsContact O-CB 3.26Å; K335-A339 WeakPolarHBondContact O-CB 3.43Å; K335-A339 PolarHBondContact O-N 3.03Å; F336-A339 PolarHBondContact O-N 3.25Å; A339-G341 VanDerWaalsContact C-N 3.34Å; A339-S342 WeakPolarHBondContact CA-OG 3.39Å; A339-S342 PolarHBondContact O-N 3.49Å; A339-S342 PolarHBondContact O-OG 3.17Å; A339-V343 WeakPolarHBondContact O-CB 3.38Å; A339-V343 VanDerWaalsContact O-CG2 3.28Å; A339-V343 WeakPolarHBondContact O-CG2 3.48Å; A339-V343 PolarHBondContact O-N 2.98Å |
| 340 | I | 93.1 | Very high | 91.3 | Very high | 97 Ų | 97 | 34.1 Ų | 34.1 | 50% | 0.497 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 173.2 | -69.1 | 164.2 | 0 | 0 | 0 | 110.6 | L220 F336 V337 V338 A344 | L220-I340 HydrophobicContact CD1-CG2 4.22Å; L220-I340 HydrophobicContact CD2-CG2 3.94Å; L220-I340 HydrophobicContact CG-CG2 4.34Å; F336-I340 WeakPolarHBondContact O-CG1 3.45Å; F336-I340 PolarHBondContact O-N 2.87Å; F336-I340 VanDerWaalsContact O-N 3.1Å; V337-I340 PolarHBondContact O-N 3.03Å; V338-I340 VanDerWaalsContact C-N 3.31Å; V338-I340 PolarHBondContact O-N 3.42Å; I340-A344 WeakPolarHBondContact O-CB 3.49Å; I340-A344 PolarHBondContact O-N 3.08Å; I340-A344 VanDerWaalsContact O-N 3.1Å |
| 341 | G | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.7 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y72 V337 V338 A339 A344 G345 | Y72-G341 PolarHBondContact OH-O 3.05Å; V337-G341 PolarHBondContact O-N 2.96Å; V338-G341 CarbonylContact O-C 3.54Å; V338-G341 WeakPolarHBondContact O-CA 3.14Å; V338-G341 PolarHBondContact O-N 3.19Å; V338-G341 VanDerWaalsContact O-N 3.08Å; A339-G341 VanDerWaalsContact C-N 3.34Å; G341-A344 PolarHBondContact O-N 3.13Å; G341-G345 PolarHBondContact O-N 3.06Å |
| 342 | S | 91.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.3 | -45 | 179.2 | 69.1 | 0 | 0 | 0 | 0 | 111.2 | Y72 V338 A339 A344 G345 L346 | Y72-S342 VanDerWaalsContact CD1-CB 3.42Å; V338-S342 PolarHBondContact O-N 3.49Å; A339-S342 WeakPolarHBondContact CA-OG 3.39Å; A339-S342 PolarHBondContact O-N 3.49Å; A339-S342 PolarHBondContact O-OG 3.17Å; S342-A344 VanDerWaalsContact C-N 3.31Å; S342-A344 PolarHBondContact O-N 3.05Å; S342-G345 PolarHBondContact O-N 3.09Å; S342-L346 WeakPolarHBondContact O-CB 3.42Å; S342-L346 WeakPolarHBondContact O-CD1 3.3Å; S342-L346 WeakPolarHBondContact O-CG 3.5Å; S342-L346 PolarHBondContact O-N 2.88Å |
| 343 | V | 92.9 | Very high | 91.4 | Very high | 45 Ų | 45 | 22.4 Ų | 22.4 | 27% | 0.273 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -58 | -43.8 | 173 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | L154 F158 A339 T347 | L154-V343 HydrophobicContact CD1-CB 4.22Å; L154-V343 HydrophobicContact CD1-CG1 4.24Å; L154-V343 HydrophobicContact CD1-CG2 3.98Å; F158-V343 HydrophobicContact CE1-CG2 4.23Å; F158-V343 HydrophobicContact CZ-CG1 4.45Å; F158-V343 HydrophobicContact CZ-CG2 4.18Å; A339-V343 WeakPolarHBondContact O-CB 3.38Å; A339-V343 VanDerWaalsContact O-CG2 3.28Å; A339-V343 WeakPolarHBondContact O-CG2 3.48Å; A339-V343 PolarHBondContact O-N 2.98Å; V343-T347 VanDerWaalsContact O-CB 3.24Å; V343-T347 WeakPolarHBondContact O-CB 3.49Å; V343-T347 PolarHBondContact O-N 3.45Å; V343-T347 VanDerWaalsContact O-N 3.11Å; V343-T347 PolarHBondContact O-OG1 3.08Å |
| 344 | A | 93.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 3% | 0.025 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.7 | -53.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L217 L220 I340 G341 S342 T347 V348 | L217-A344 HydrophobicContact CB-CB 4.35Å; L217-A344 HydrophobicContact CD2-CB 4.09Å; L220-A344 HydrophobicContact CB-CB 4.49Å; L220-A344 HydrophobicContact CD2-CB 4.01Å; L220-A344 HydrophobicContact CG-CB 4.2Å; I340-A344 WeakPolarHBondContact O-CB 3.49Å; I340-A344 PolarHBondContact O-N 3.08Å; I340-A344 VanDerWaalsContact O-N 3.1Å; G341-A344 PolarHBondContact O-N 3.13Å; S342-A344 VanDerWaalsContact C-N 3.31Å; S342-A344 PolarHBondContact O-N 3.05Å; A344-T347 PolarHBondContact O-N 3.13Å; A344-V348 WeakPolarHBondContact O-CB 3.42Å; A344-V348 VanDerWaalsContact O-CG2 3.25Å; A344-V348 WeakPolarHBondContact O-CG2 3.3Å; A344-V348 PolarHBondContact O-N 3.01Å |
| 345 | G | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N221 G341 S342 V348 S349 | N221-G345 WeakPolarHBondContact ND2-CA 3.48Å; G341-G345 PolarHBondContact O-N 3.06Å; S342-G345 PolarHBondContact O-N 3.09Å; G345-V348 PolarHBondContact O-N 3.05Å; G345-S349 WeakPolarHBondContact O-CB 3.39Å; G345-S349 PolarHBondContact O-N 3.38Å |
| 346 | L | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.8 | -39 | 175.2 | -64.9 | 171.5 | 0 | 0 | 0 | 111.7 | T69 A153 L154 M157 S342 V348 S349 L350 | T69-L346 WeakPolarHBondContact OG1-CD2 3.49Å; A153-L346 HydrophobicContact CB-CD1 4.29Å; A153-L346 HydrophobicContact CB-CD2 3.83Å; L154-L346 HydrophobicContact CB-CB 4.26Å; L154-L346 HydrophobicContact CB-CD1 4.46Å; L154-L346 HydrophobicContact CD1-CB 4.25Å; L154-L346 HydrophobicContact CD1-CD1 4.39Å; M157-L346 HydrophobicContact CB-CD1 4.39Å; M157-L346 HydrophobicContact CG-CD1 3.29Å; M157-L346 HydrophobicContact SD-CD1 4.39Å; S342-L346 WeakPolarHBondContact O-CB 3.42Å; S342-L346 WeakPolarHBondContact O-CD1 3.3Å; S342-L346 WeakPolarHBondContact O-CG 3.5Å; S342-L346 PolarHBondContact O-N 2.88Å; L346-V348 VanDerWaalsContact C-N 3.34Å; L346-S349 PolarHBondContact O-N 3.39Å; L346-L350 WeakPolarHBondContact O-CB 3.24Å; L346-L350 PolarHBondContact O-N 2.88Å |
| 347 | T | 91.8 | Very high | 90.8 | Very high | 23 Ų | 23 | 12.9 Ų | 12.9 | 14% | 0.141 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64 | -39.7 | 174.2 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | L217 V343 A344 L351 | L217-T347 HydrophobicContact CD1-CG2 3.8Å; V343-T347 VanDerWaalsContact O-CB 3.24Å; V343-T347 WeakPolarHBondContact O-CB 3.49Å; V343-T347 PolarHBondContact O-N 3.45Å; V343-T347 VanDerWaalsContact O-N 3.11Å; V343-T347 PolarHBondContact O-OG1 3.08Å; A344-T347 PolarHBondContact O-N 3.13Å; T347-L351 HydrophobicContact CG2-CD1 4.16Å; T347-L351 WeakPolarHBondContact O-CB 3.41Å; T347-L351 WeakPolarHBondContact O-CG 3.35Å; T347-L351 PolarHBondContact O-N 3.47Å |
| 348 | V | 91.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.2 | -43 | 175.8 | 169 | 0 | 0 | 0 | 0 | 111.6 | N214 L217 N218 A344 G345 L346 L351 G352 | N214-V348 WeakPolarHBondContact OD1-CG1 3.42Å; L217-V348 HydrophobicContact CB-CG2 3.23Å; L217-V348 HydrophobicContact CD1-CG2 4.03Å; L217-V348 HydrophobicContact CG-CG2 4.3Å; N218-V348 HydrophobicContact CB-CG1 4.2Å; N218-V348 HydrophobicContact CB-CG2 4.44Å; A344-V348 WeakPolarHBondContact O-CB 3.42Å; A344-V348 VanDerWaalsContact O-CG2 3.25Å; A344-V348 WeakPolarHBondContact O-CG2 3.3Å; A344-V348 PolarHBondContact O-N 3.01Å; G345-V348 PolarHBondContact O-N 3.05Å; L346-V348 VanDerWaalsContact C-N 3.34Å; V348-L351 PolarHBondContact O-N 2.86Å; V348-G352 PolarHBondContact O-N 3.17Å |
| 349 | S | 91.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 11.5 Ų | 11.5 | 6% | 0.063 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.1 | -41.5 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | G64 S65 G345 L346 G352 S353 | G64-S349 WeakPolarHBondContact O-CA 3.35Å; G64-S349 PolarHBondContact O-N 3.36Å; S65-S349 WeakPolarHBondContact O-CB 3.28Å; S65-S349 PolarHBondContact O-OG 3.19Å; G345-S349 WeakPolarHBondContact O-CB 3.39Å; G345-S349 PolarHBondContact O-N 3.38Å; L346-S349 PolarHBondContact O-N 3.39Å; S349-G352 CarbonylContact O-C 3.47Å; S349-G352 WeakPolarHBondContact O-CA 3.43Å; S349-G352 PolarHBondContact O-N 3.14Å; S349-G352 VanDerWaalsContact O-N 3.13Å; S349-S353 PolarHBondContact O-N 3.07Å |
| 350 | L | 91 | Very high | 89.8 | Confident | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 173.6 | 175.4 | 55 | 0 | 0 | 0 | 112.8 | T147 A151 I195 V199 L346 G352 L354 | T147-L350 HydrophobicContact CG2-CD1 3.75Å; T147-L350 WeakPolarHBondContact O-CD1 3.39Å; A151-L350 HydrophobicContact CB-CD1 4.33Å; A151-L350 HydrophobicContact CB-CD2 4.24Å; I195-L350 HydrophobicContact CG2-CD2 3.64Å; V199-L350 HydrophobicContact CB-CD2 4.29Å; V199-L350 HydrophobicContact CB-CG 4.37Å; V199-L350 HydrophobicContact CG1-CG 4.19Å; V199-L350 HydrophobicContact CG2-CD2 3.78Å; V199-L350 HydrophobicContact CG2-CG 4.29Å; L346-L350 WeakPolarHBondContact O-CB 3.24Å; L346-L350 PolarHBondContact O-N 2.88Å; L350-G352 VanDerWaalsContact C-N 3.28Å; L350-G352 PolarHBondContact O-N 3.42Å; L350-L354 WeakPolarHBondContact O-CB 3.39Å; L350-L354 PolarHBondContact O-N 3.49Å; L350-L354 VanDerWaalsContact O-N 3.1Å |
| 351 | L | 88.8 | Confident | 89.7 | Confident | 6 Ų | 6 | 7.1 Ų | 7.1 | 3% | 0.031 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 170.4 | -79 | 166.8 | 0 | 0 | 0 | 111 | V199 V203 F213 T347 V348 L354 F355 | V199-L351 HydrophobicContact CG1-CD2 3.52Å; V199-L351 HydrophobicContact CG1-CG 3.94Å; V203-L351 HydrophobicContact CG2-CD2 3.73Å; F213-L351 HydrophobicContact CD1-CD1 4.03Å; F213-L351 HydrophobicContact CE1-CD1 4.12Å; T347-L351 HydrophobicContact CG2-CD1 4.16Å; T347-L351 WeakPolarHBondContact O-CB 3.41Å; T347-L351 WeakPolarHBondContact O-CG 3.35Å; T347-L351 PolarHBondContact O-N 3.47Å; V348-L351 PolarHBondContact O-N 2.86Å; L351-L354 PolarHBondContact O-N 3.4Å; L351-F355 VanDerWaalsContact O-CB 3.31Å; L351-F355 WeakPolarHBondContact O-CB 3.47Å; L351-F355 PolarHBondContact O-N 3.3Å |
| 352 | G | 87.1 | Confident | 89.3 | Confident | 3 Ų | 3 | 10 Ų | 10 | 3% | 0.031 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -53.3 | -56.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I270 V348 S349 L350 P356 | I270-G352 WeakPolarHBondContact CD1-O 3.31Å; V348-G352 PolarHBondContact O-N 3.17Å; S349-G352 CarbonylContact O-C 3.47Å; S349-G352 WeakPolarHBondContact O-CA 3.43Å; S349-G352 PolarHBondContact O-N 3.14Å; S349-G352 VanDerWaalsContact O-N 3.13Å; L350-G352 VanDerWaalsContact C-N 3.28Å; L350-G352 PolarHBondContact O-N 3.42Å; G352-P356 WeakPolarHBondContact O-CD 3.4Å |
| 353 | S | 88.6 | Confident | 88.8 | Confident | 15 Ų | 15 | 10.5 Ų | 10.5 | 11% | 0.105 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.4 | -37.1 | 178.1 | -57.6 | 0 | 0 | 0 | 0 | 113.5 | Y143 S349 F355 P356 | Y143-S353 WeakPolarHBondContact CB-O 3.49Å; S349-S353 PolarHBondContact O-N 3.07Å; S353-F355 VanDerWaalsContact C-N 3.34Å; S353-F355 PolarHBondContact O-N 3.36Å; S353-P356 WeakPolarHBondContact O-CD 3.27Å |
| 354 | L | 88.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -75.4 | -21.5 | -177.4 | -173.3 | 52.5 | 0 | 0 | 0 | 113.4 | T147 V199 V203 L350 L351 M357 P358 | T147-L354 HydrophobicContact CG2-CB 4.23Å; T147-L354 HydrophobicContact CG2-CD1 4.13Å; T147-L354 HydrophobicContact CG2-CD2 4.28Å; T147-L354 HydrophobicContact CG2-CG 4.44Å; V199-L354 HydrophobicContact CB-CD2 4.4Å; V199-L354 HydrophobicContact CG1-CD2 3.99Å; V203-L354 HydrophobicContact CB-CD2 4.36Å; V203-L354 HydrophobicContact CB-CG 4.41Å; V203-L354 HydrophobicContact CG2-CD2 4.02Å; V203-L354 HydrophobicContact CG2-CG 4.13Å; L350-L354 WeakPolarHBondContact O-CB 3.39Å; L350-L354 PolarHBondContact O-N 3.49Å; L350-L354 VanDerWaalsContact O-N 3.1Å; L351-L354 PolarHBondContact O-N 3.4Å; L354-M357 HydrophobicContact CD1-CE 3.39Å; L354-P358 WeakPolarHBondContact O-CD 3.4Å |
| 355 | F | 85 | Confident | 88.2 | Confident | 8 Ų | 8 | 8.2 Ų | 8.2 | 4% | 0.035 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -49.9 | -179.4 | -168.2 | -105.5 | 0 | 0 | 0 | 115 | V207 V211 T274 L351 S353 R359 | V207-F355 HydrophobicContact CB-CE2 4.27Å; V207-F355 HydrophobicContact CG1-CE2 3.71Å; V207-F355 HydrophobicContact CG1-CZ 3.78Å; V207-F355 HydrophobicContact CG2-CE2 3.79Å; V207-F355 HydrophobicContact CG2-CZ 4.37Å; V211-F355 HydrophobicContact CG2-CZ 4.49Å; T274-F355 HydrophobicContact CG2-CD1 3.87Å; T274-F355 HydrophobicContact CG2-CE1 3.64Å; L351-F355 VanDerWaalsContact O-CB 3.31Å; L351-F355 WeakPolarHBondContact O-CB 3.47Å; L351-F355 PolarHBondContact O-N 3.3Å; S353-F355 VanDerWaalsContact C-N 3.34Å; S353-F355 PolarHBondContact O-N 3.36Å; F355-R359 VanDerWaalsContact CD1-NH1 3.34Å; F355-R359 PolarHBondContact O-NH1 2.94Å |
| 356 | P | 85.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -25.7 | 179.1 | 31.4 | -38.2 | 0 | 0 | 0 | 113.8 | Y143 I270 T273 G352 S353 R359 V360 | Y143-P356 HydrophobicContact CD1-CG 3.72Å; Y143-P356 HydrophobicContact CD2-CB 4.02Å; Y143-P356 HydrophobicContact CD2-CG 3.76Å; Y143-P356 HydrophobicContact CE1-CB 4.31Å; Y143-P356 HydrophobicContact CE1-CG 3.62Å; Y143-P356 HydrophobicContact CE2-CB 3.56Å; Y143-P356 HydrophobicContact CE2-CG 3.63Å; Y143-P356 HydrophobicContact CG-CG 3.8Å; I270-P356 HydrophobicContact CD1-CG 4.24Å; I270-P356 HydrophobicContact CG1-CG 4.12Å; I270-P356 HydrophobicContact CG2-CB 4.33Å; I270-P356 HydrophobicContact CG2-CG 4.07Å; T273-P356 HydrophobicContact CG2-CB 3.61Å; G352-P356 WeakPolarHBondContact O-CD 3.4Å; S353-P356 WeakPolarHBondContact O-CD 3.27Å; P356-R359 WeakPolarHBondContact O-CA 3.46Å; P356-R359 WeakPolarHBondContact O-CB 3.29Å; P356-R359 PolarHBondContact O-N 3.27Å; P356-V360 PolarHBondContact O-N 3.44Å; P356-V360 VanDerWaalsContact O-N 3.13Å |
| 357 | M | 88.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -54.2 | -48.5 | -173.1 | -178.1 | 164.1 | 55 | 0 | 0 | 114.1 | Y143 L144 L354 R359 V360 I361 | Y143-M357 HydrophobicContact CD2-CB 4.36Å; Y143-M357 HydrophobicContact CG-CB 4.47Å; L144-M357 VanDerWaalsContact CA-SD 3.51Å; L144-M357 HydrophobicContact CB-SD 3.77Å; L144-M357 HydrophobicContact CD1-CE 4.44Å; L144-M357 HydrophobicContact CD1-SD 3.84Å; L144-M357 HydrophobicContact CG-SD 4.46Å; L354-M357 HydrophobicContact CD1-CE 3.39Å; M357-R359 PolarHBondContact O-N 3.11Å; M357-V360 PolarHBondContact O-N 3.27Å; M357-I361 HydrophobicContact CG-CD1 3.91Å; M357-I361 WeakPolarHBondContact O-CG1 3.31Å; M357-I361 PolarHBondContact O-N 2.88Å |
| 358 | P | 87.5 | Confident | 86.6 | Confident | 7 Ų | 7 | 9.7 Ų | 9.7 | 5% | 0.045 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.3 | -26.1 | 177.8 | -20.2 | 33.9 | 0 | 0 | 0 | 113.1 | L354 Y362 P384 A387 C388 | L354-P358 WeakPolarHBondContact O-CD 3.4Å; P358-Y362 WeakPolarHBondContact O-CB 3.39Å; P358-Y362 PolarHBondContact O-N 3.49Å; P358-P384 HydrophobicContact CB-CG 3.85Å; P358-A387 HydrophobicContact CB-CB 4.25Å; P358-C388 HydrophobicContact CB-CB 4.06Å; P358-C388 HydrophobicContact CG-CB 3.7Å |
| 359 | R | 83.9 | Confident | 86.4 | Confident | 18 Ų | 18 | 9.7 Ų | 9.7 | 7% | 0.068 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -74.9 | -41 | -178.7 | -66.3 | 178.1 | 171.3 | 86.7 | -10.2 | 111.8 | T116 E277 F355 P356 M357 Y362 A363 | T116-R359 HydrophobicContact CG2-CB 3.77Å; T116-R359 HydrophobicContact CG2-CG 4.46Å; E277-R359 IonicContact OE1-CZ 3.07Å; E277-R359 IonicContact OE1-NE 3.16Å; E277-R359 PolarHBondContact OE1-NE 2.75Å; E277-R359 IonicContact OE1-NH2 2.71Å; E277-R359 PolarHBondContact OE1-NH2 3.21Å; E277-R359 IonicContact OE2-CZ 2.67Å; E277-R359 IonicContact OE2-NH2 2.75Å; E277-R359 PolarHBondContact OE2-NH2 3.29Å; F355-R359 VanDerWaalsContact CD1-NH1 3.34Å; F355-R359 PolarHBondContact O-NH1 2.94Å; P356-R359 WeakPolarHBondContact O-CA 3.46Å; P356-R359 WeakPolarHBondContact O-CB 3.29Å; P356-R359 PolarHBondContact O-N 3.27Å; M357-R359 PolarHBondContact O-N 3.11Å; R359-Y362 PolarHBondContact O-N 3.26Å; R359-A363 PolarHBondContact O-N 2.77Å |
| 360 | V | 87.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.1 | -44.5 | 173.2 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | L139 I140 Y143 T273 P356 M357 Y362 A363 M364 | L139-V360 HydrophobicContact CB-CG1 4.41Å; I140-V360 HydrophobicContact CD1-CG1 4.41Å; I140-V360 HydrophobicContact CG1-CG1 4.01Å; Y143-V360 HydrophobicContact CE2-CG2 3.94Å; T273-V360 HydrophobicContact CG2-CG2 4.3Å; P356-V360 PolarHBondContact O-N 3.44Å; P356-V360 VanDerWaalsContact O-N 3.13Å; M357-V360 PolarHBondContact O-N 3.27Å; V360-Y362 VanDerWaalsContact C-N 3.35Å; V360-Y362 PolarHBondContact O-N 3.2Å; V360-A363 PolarHBondContact O-N 3.47Å; V360-M364 HydrophobicContact CG1-SD 4.05Å; V360-M364 WeakPolarHBondContact O-CG 3.32Å; V360-M364 PolarHBondContact O-N 3.1Å |
| 361 | I | 89.7 | Confident | 86.1 | Confident | 12 Ų | 12 | 13.9 Ų | 13.9 | 6% | 0.062 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 176.6 | -65.5 | 168.2 | 0 | 0 | 0 | 111 | I140 M357 M364 A365 L370 L374 A387 | I140-I361 HydrophobicContact CD1-CG1 3.75Å; I140-I361 HydrophobicContact CG1-CG1 3.84Å; M357-I361 HydrophobicContact CG-CD1 3.91Å; M357-I361 WeakPolarHBondContact O-CG1 3.31Å; M357-I361 PolarHBondContact O-N 2.88Å; I361-M364 PolarHBondContact O-N 2.86Å; I361-A365 WeakPolarHBondContact O-CB 3.37Å; I361-A365 PolarHBondContact O-N 3.15Å; I361-L370 HydrophobicContact CG2-CD1 4.42Å; I361-L374 HydrophobicContact CG2-CB 3.87Å; I361-L374 HydrophobicContact CG2-CD1 3.97Å; I361-L374 HydrophobicContact CG2-CD2 4.42Å; I361-L374 HydrophobicContact CG2-CG 4.31Å; I361-A387 HydrophobicContact CB-CB 4.09Å; I361-A387 HydrophobicContact CG2-CB 3.67Å |
| 362 | Y | 85.3 | Confident | 85.9 | Confident | 60 Ų | 60 | 18.7 Ų | 18.7 | 24% | 0.235 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 175.4 | 167 | -101.2 | 0 | 0 | 0 | 112.2 | T116 P358 R359 V360 A365 G366 A375 V377 P384 | T116-Y362 HydrophobicContact CG2-CD1 4.36Å; P358-Y362 WeakPolarHBondContact O-CB 3.39Å; P358-Y362 PolarHBondContact O-N 3.49Å; R359-Y362 PolarHBondContact O-N 3.26Å; V360-Y362 VanDerWaalsContact C-N 3.35Å; V360-Y362 PolarHBondContact O-N 3.2Å; Y362-A365 PolarHBondContact O-N 3.21Å; Y362-G366 PolarHBondContact O-N 2.84Å; Y362-A375 HydrophobicContact CD2-CB 4.39Å; Y362-A375 WeakPolarHBondContact CE2-O 3.5Å; Y362-V377 HydrophobicContact CD2-CG2 3.84Å; Y362-V377 HydrophobicContact CE2-CG2 3.4Å; Y362-V377 VanDerWaalsContact CE2-CG2 3.4Å; Y362-P384 HydrophobicContact CD2-CB 4.14Å; Y362-P384 HydrophobicContact CG-CB 4.3Å; Y362-P384 HydrophobicContact CG-CG 4.44Å |
| 363 | A | 82.6 | Confident | 85.8 | Confident | 12 Ų | 12 | 24.4 Ų | 24.4 | 10% | 0.099 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.9 | -50.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y120 R359 V360 A365 G366 D367 | Y120-A363 HydrophobicContact CD1-CB 4.13Å; Y120-A363 HydrophobicContact CE1-CB 4.08Å; R359-A363 PolarHBondContact O-N 2.77Å; V360-A363 PolarHBondContact O-N 3.47Å; A363-A365 VanDerWaalsContact C-N 3.31Å; A363-A365 PolarHBondContact O-N 2.61Å; A363-G366 PolarHBondContact O-N 3.26Å; A363-D367 PolarHBondContact O-N 3.29Å |
| 364 | M | 86.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.4 | -30.7 | 179.1 | -65.5 | 179.4 | 73.7 | 0 | 0 | 113.4 | Y120 F133 G136 I140 V360 I361 G368 L369 L370 | Y120-M364 HydrophobicContact CD1-CG 4.18Å; Y120-M364 HydrophobicContact CD2-CG 3.84Å; Y120-M364 HydrophobicContact CD2-SD 4.45Å; Y120-M364 HydrophobicContact CE1-CG 4.07Å; Y120-M364 HydrophobicContact CE2-CG 3.74Å; Y120-M364 HydrophobicContact CG-CG 4.08Å; F133-M364 HydrophobicContact CD2-CE 3.56Å; F133-M364 HydrophobicContact CE2-CE 3.85Å; F133-M364 HydrophobicContact CG-CE 4.28Å; G136-M364 VanDerWaalsContact C-SD 3.6Å; G136-M364 VanDerWaalsContact CA-SD 3.58Å; I140-M364 HydrophobicContact CD1-SD 3.62Å; V360-M364 HydrophobicContact CG1-SD 4.05Å; V360-M364 WeakPolarHBondContact O-CG 3.32Å; V360-M364 PolarHBondContact O-N 3.1Å; I361-M364 PolarHBondContact O-N 2.86Å; M364-G368 PolarHBondContact O-N 2.6Å; M364-L369 PolarHBondContact O-N 3.24Å; M364-L370 HydrophobicContact CB-CB 4.4Å; M364-L370 HydrophobicContact CB-CD1 3.77Å; M364-L370 HydrophobicContact CB-CG 3.87Å; M364-L370 HydrophobicContact CE-CD1 4.32Å; M364-L370 HydrophobicContact CE-CG 4.25Å; M364-L370 PolarHBondContact O-N 3.5Å; M364-L370 HydrophobicContact SD-CD1 4.15Å |
| 365 | A | 87.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -78.7 | -33 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | I361 Y362 A363 G368 L370 L374 A375 | I361-A365 WeakPolarHBondContact O-CB 3.37Å; I361-A365 PolarHBondContact O-N 3.15Å; Y362-A365 PolarHBondContact O-N 3.21Å; A363-A365 VanDerWaalsContact C-N 3.31Å; A363-A365 PolarHBondContact O-N 2.61Å; A365-G368 PolarHBondContact O-N 3.25Å; A365-G368 VanDerWaalsContact O-N 3.09Å; A365-L370 HydrophobicContact CB-CB 4.19Å; A365-L374 HydrophobicContact CB-CB 3.81Å; A365-A375 HydrophobicContact CB-CB 3.89Å |
| 366 | G | 80.4 | Confident | 85.1 | Confident | 40 Ų | 40 | 30.7 Ų | 30.7 | 41% | 0.412 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.7 | -41.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y362 A363 G368 | Y362-G366 PolarHBondContact O-N 2.84Å; A363-G366 PolarHBondContact O-N 3.26Å; G366-G368 PolarHBondContact O-N 3.4Å |
| 367 | D | 80.7 | Confident | 84.8 | Confident | 13 Ų | 13 | 32.4 Ų | 32.4 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 0.9 | 170.7 | -82.6 | -33.8 | 0 | 0 | 0 | 114.1 | K30 Y120 Y124 A363 L369 S677 T678 | K30-D367 WeakPolarHBondContact CE-OD1 3.38Å; K30-D367 IonicContact NZ-OD1 3.04Å; K30-D367 PolarHBondContact NZ-OD1 2.91Å; K30-D367 IonicContact NZ-OD2 3.28Å; K30-D367 PolarHBondContact NZ-OD2 3Å; Y120-D367 VanDerWaalsContact OH-CB 3.31Å; Y120-D367 WeakPolarHBondContact OH-CB 3.45Å; Y120-D367 PolarHBondContact OH-OD2 3.19Å; Y120-D367 VanDerWaalsContact OH-OD2 3.11Å; Y124-D367 HydrophobicContact CE1-CB 4.02Å; A363-D367 PolarHBondContact O-N 3.29Å; D367-L369 HydrophobicContact CB-CD1 4.46Å; D367-L369 PolarHBondContact O-N 3.39Å; D367-S677 WeakPolarHBondContact O-CA 3.47Å; D367-T678 PolarHBondContact O-N 2.64Å; D367-T678 PolarHBondContact O-OG1 3.27Å; D367-T678 PolarHBondContact OD1-OG1 3.48Å |
| 368 | G | 82.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 4.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | M364 A365 G366 L370 Y672 N676 | M364-G368 PolarHBondContact O-N 2.6Å; A365-G368 PolarHBondContact O-N 3.25Å; A365-G368 VanDerWaalsContact O-N 3.09Å; G366-G368 PolarHBondContact O-N 3.4Å; G368-L370 CarbonylContact C-O 3.57Å; G368-Y672 WeakPolarHBondContact O-CE1 3.34Å; G368-N676 CarbonylContact O-C 3.49Å; G368-N676 PolarHBondContact O-ND2 2.9Å; G368-N676 VanDerWaalsContact O-ND2 3.16Å |
| 369 | L | 85.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -76.6 | -29.1 | 177.8 | -74.6 | 163.6 | 0 | 0 | 0 | 112.8 | Y120 Y124 E129 F133 M364 D367 Y669 | Y120-L369 HydrophobicContact CE2-CD1 4.11Å; Y120-L369 WeakPolarHBondContact OH-CD1 3.37Å; Y124-L369 HydrophobicContact CE1-CD1 3.85Å; E129-L369 HydrophobicContact CG-CD1 4.16Å; E129-L369 HydrophobicContact CG-CD2 3.73Å; E129-L369 HydrophobicContact CG-CG 4.49Å; F133-L369 HydrophobicContact CD2-CB 4.23Å; M364-L369 PolarHBondContact O-N 3.24Å; D367-L369 HydrophobicContact CB-CD1 4.46Å; D367-L369 PolarHBondContact O-N 3.39Å; L369-Y669 HydrophobicContact CD2-CD2 3.84Å; L369-Y669 HydrophobicContact CD2-CE2 3.56Å |
| 370 | L | 88.8 | Confident | 82.6 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.047 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -109.3 | 164.6 | 163.3 | -65.4 | -179 | 0 | 0 | 0 | 110.6 | F133 W137 I140 I361 M364 A365 G368 R372 L374 I668 Y672 | F133-L370 HydrophobicContact CE2-CD2 4.11Å; W137-L370 HydrophobicContact CZ3-CD2 4.4Å; I140-L370 HydrophobicContact CD1-CD1 3.76Å; I361-L370 HydrophobicContact CG2-CD1 4.42Å; M364-L370 HydrophobicContact CB-CB 4.4Å; M364-L370 HydrophobicContact CB-CD1 3.77Å; M364-L370 HydrophobicContact CB-CG 3.87Å; M364-L370 HydrophobicContact CE-CD1 4.32Å; M364-L370 HydrophobicContact CE-CG 4.25Å; M364-L370 PolarHBondContact O-N 3.5Å; M364-L370 HydrophobicContact SD-CD1 4.15Å; A365-L370 HydrophobicContact CB-CB 4.19Å; G368-L370 CarbonylContact C-O 3.57Å; L370-R372 PolarHBondContact O-N 3.41Å; L370-R372 VanDerWaalsContact O-N 3.17Å; L370-L374 HydrophobicContact CB-CD1 4.45Å; L370-I668 HydrophobicContact CD2-CG2 4.03Å; L370-Y672 WeakPolarHBondContact O-CE1 3.27Å |
| 371 | F | 88.8 | Confident | 81.7 | Confident | 88 Ų | 88 | 50.1 Ų | 50.1 | 39% | 0.386 | 26% | 0.257 | S | S | . | . | trans | -55.4 | 120.1 | -176.5 | -55.2 | -69.7 | 0 | 0 | 0 | 112.2 | F373 L374 Y672 | F371-F373 HydrophobicContact CB-CD1 3.57Å; F371-F373 HydrophobicContact CB-CE1 3.34Å; F371-F373 HydrophobicContact CB-CZ 4.23Å; F371-F373 HydrophobicContact CD2-CE1 4.21Å; F371-F373 AromaticContact CG-CE1 3.91Å; F371-F373 HydrophobicContact CG-CE1 3.91Å; F371-F373 PolarHBondContact O-N 3.3Å; F371-L374 HydrophobicContact CB-CD1 4.41Å; F371-L374 WeakPolarHBondContact O-CB 3.29Å; F371-L374 PolarHBondContact O-N 2.84Å; F371-Y672 HydrophobicContact CD1-CD1 4.21Å; F371-Y672 HydrophobicContact CD1-CD2 4.04Å; F371-Y672 HydrophobicContact CD1-CE1 4.1Å; F371-Y672 AromaticContact CD1-CE2 3.92Å; F371-Y672 HydrophobicContact CD1-CE2 3.92Å; F371-Y672 HydrophobicContact CD1-CG 4.17Å; F371-Y672 AromaticContact CD1-CZ 3.94Å; F371-Y672 HydrophobicContact CE1-CD1 4.43Å; F371-Y672 HydrophobicContact CE1-CD2 4.03Å; F371-Y672 HydrophobicContact CE1-CE2 4.36Å; F371-Y672 HydrophobicContact CE1-CG 4.06Å | ||
| 372 | R | 83.9 | Confident | 80.9 | Confident | 108 Ų | 108 | 54.2 Ų | 54.2 | 41% | 0.408 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -55.7 | -21.1 | -171.8 | -69.5 | -176.6 | 178.8 | -151.6 | -5.9 | 115.6 | L370 L374 A375 Y672 N676 | L370-R372 PolarHBondContact O-N 3.41Å; L370-R372 VanDerWaalsContact O-N 3.17Å; R372-L374 PolarHBondContact O-N 2.98Å; R372-A375 WeakPolarHBondContact O-CB 3.3Å; R372-A375 PolarHBondContact O-N 2.96Å; R372-A375 VanDerWaalsContact O-N 3.11Å; R372-Y672 PolarHBondContact N-OH 2.73Å; R372-N676 PolarHBondContact NE-ND2 3.39Å; R372-N676 VanDerWaalsContact NE-ND2 3.13Å; R372-N676 PolarHBondContact NH2-O 3.27Å |
| 373 | F | 85.4 | Confident | 80.4 | Confident | 122 Ų | 122 | 52.1 Ų | 52.1 | 54% | 0.535 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -63.8 | -24.6 | 174.7 | 74.3 | -99.6 | 0 | 0 | 0 | 113.2 | F371 A375 H376 V386 | F371-F373 HydrophobicContact CB-CD1 3.57Å; F371-F373 HydrophobicContact CB-CE1 3.34Å; F371-F373 HydrophobicContact CB-CZ 4.23Å; F371-F373 HydrophobicContact CD2-CE1 4.21Å; F371-F373 AromaticContact CG-CE1 3.91Å; F371-F373 HydrophobicContact CG-CE1 3.91Å; F371-F373 PolarHBondContact O-N 3.3Å; F373-A375 PolarHBondContact O-N 3.46Å; F373-H376 WeakPolarHBondContact O-CB 3.4Å; F373-H376 PolarHBondContact O-N 3.01Å; F373-V386 HydrophobicContact CD2-CG1 4.02Å; F373-V386 HydrophobicContact CE2-CG1 4.44Å |
| 374 | L | 85.8 | Confident | 80.3 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -72.6 | -17.7 | 176.2 | -63.6 | 167.4 | 0 | 0 | 0 | 112.6 | I361 A365 L370 F371 R372 H376 V390 | I361-L374 HydrophobicContact CG2-CB 3.87Å; I361-L374 HydrophobicContact CG2-CD1 3.97Å; I361-L374 HydrophobicContact CG2-CD2 4.42Å; I361-L374 HydrophobicContact CG2-CG 4.31Å; A365-L374 HydrophobicContact CB-CB 3.81Å; L370-L374 HydrophobicContact CB-CD1 4.45Å; F371-L374 HydrophobicContact CB-CD1 4.41Å; F371-L374 WeakPolarHBondContact O-CB 3.29Å; F371-L374 PolarHBondContact O-N 2.84Å; R372-L374 PolarHBondContact O-N 2.98Å; L374-H376 PolarHBondContact O-N 3.11Å; L374-V390 HydrophobicContact CD2-CB 4.28Å; L374-V390 HydrophobicContact CD2-CG1 4.33Å; L374-V390 HydrophobicContact CD2-CG2 4.32Å |
| 375 | A | 81.3 | Confident | 80.2 | Confident | 25 Ų | 25 | 53.7 Ų | 53.7 | 21% | 0.207 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -78.5 | 1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y362 A365 R372 F373 V377 | Y362-A375 HydrophobicContact CD2-CB 4.39Å; Y362-A375 WeakPolarHBondContact CE2-O 3.5Å; A365-A375 HydrophobicContact CB-CB 3.89Å; R372-A375 WeakPolarHBondContact O-CB 3.3Å; R372-A375 PolarHBondContact O-N 2.96Å; R372-A375 VanDerWaalsContact O-N 3.11Å; F373-A375 PolarHBondContact O-N 3.46Å; A375-V377 PolarHBondContact O-N 3.37Å |
| 376 | H | 80.5 | Confident | 80.3 | Confident | 114 Ų | 114 | 56.1 Ų | 56.1 | 53% | 0.528 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 116.5 | -176.2 | -168.1 | 67.9 | 0 | 0 | 0 | 112.4 | F373 L374 V386 | F373-H376 WeakPolarHBondContact O-CB 3.4Å; F373-H376 PolarHBondContact O-N 3.01Å; L374-H376 PolarHBondContact O-N 3.11Å; H376-V386 HydrophobicContact CB-CG2 4.17Å |
| 377 | V | 78.7 | Confident | 80.6 | Confident | 36 Ų | 36 | 54.2 Ų | 54.2 | 22% | 0.218 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 136 | 179.8 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | Y362 A375 P384 | Y362-V377 HydrophobicContact CD2-CG2 3.84Å; Y362-V377 HydrophobicContact CE2-CG2 3.4Å; Y362-V377 VanDerWaalsContact CE2-CG2 3.4Å; A375-V377 PolarHBondContact O-N 3.37Å; V377-P384 HydrophobicContact CG2-CB 4.39Å |
| 378 | S | 75.9 | Confident | 81.1 | Confident | 34 Ų | 34 | 53.8 Ų | 53.8 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 127.9 | 174.5 | 166.2 | 0 | 0 | 0 | 0 | 111.1 | Y380 T381 E382 T383 | S378-Y380 PolarHBondContact O-N 3.04Å; S378-Y380 PolarHBondContact OG-N 3.48Å; S378-T381 VanDerWaalsContact CB-OG1 3.24Å; S378-T381 WeakPolarHBondContact CB-OG1 3.48Å; S378-T381 PolarHBondContact OG-N 3.44Å; S378-T381 PolarHBondContact OG-OG1 3.36Å; S378-T381 VanDerWaalsContact OG-OG1 3.12Å; S378-E382 WeakPolarHBondContact O-CA 3.31Å; S378-E382 PolarHBondContact O-N 3.39Å; S378-T383 PolarHBondContact N-O 3.13Å |
| 379 | S | 68.6 | Low | 81.5 | Confident | 128 Ų | 128 | 58.3 Ų | 58.3 | 90% | 0.895 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -14.9 | 178.4 | 54.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 380 | Y | 68.7 | Low | 81.8 | Confident | 211 Ų | 211 | 61.9 Ų | 61.9 | 83% | 0.827 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -35.8 | 179 | -175.5 | -100.5 | 0 | 0 | 0 | 113 | S378 | S378-Y380 PolarHBondContact O-N 3.04Å; S378-Y380 PolarHBondContact OG-N 3.48Å |
| 381 | T | 68.7 | Low | 82 | Confident | 24 Ų | 24 | 61.7 Ų | 61.7 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -10 | -174.7 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | S378 T383 V385 | S378-T381 VanDerWaalsContact CB-OG1 3.24Å; S378-T381 WeakPolarHBondContact CB-OG1 3.48Å; S378-T381 PolarHBondContact OG-N 3.44Å; S378-T381 PolarHBondContact OG-OG1 3.36Å; S378-T381 VanDerWaalsContact OG-OG1 3.12Å; T381-T383 VanDerWaalsContact CB-OG1 3.32Å; T381-T383 WeakPolarHBondContact CB-OG1 3.22Å; T381-T383 PolarHBondContact O-N 3.01Å; T381-T383 PolarHBondContact OG1-OG1 3.11Å; T381-V385 WeakPolarHBondContact OG1-CG2 3.25Å |
| 382 | E | 72.2 | Confident | 82.2 | Confident | 98 Ų | 98 | 57.5 Ų | 57.5 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 59.9 | 21.4 | -173.9 | -54.2 | 172.9 | 130.4 | 0 | 0 | 112.8 | K208 S378 | K208-E382 IonicContact NZ-OE2 3.26Å; K208-E382 PolarHBondContact NZ-OE2 3.41Å; S378-E382 WeakPolarHBondContact O-CA 3.31Å; S378-E382 PolarHBondContact O-N 3.39Å |
| 383 | T | 74.4 | Confident | 82.7 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 10% | 0.104 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -123.7 | 152.5 | -174.8 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | V207 S378 T381 V385 | V207-T383 HydrophobicContact CG2-CG2 3.77Å; S378-T383 PolarHBondContact N-O 3.13Å; T381-T383 VanDerWaalsContact CB-OG1 3.32Å; T381-T383 WeakPolarHBondContact CB-OG1 3.22Å; T381-T383 PolarHBondContact O-N 3.01Å; T381-T383 PolarHBondContact OG1-OG1 3.11Å; T383-V385 VanDerWaalsContact C-N 3.25Å; T383-V385 PolarHBondContact O-N 2.65Å |
| 384 | P | 81.5 | Confident | 83.1 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | trans | -76.7 | 72.9 | 173.3 | 33 | -36.1 | 0 | 0 | 0 | 111.3 | P358 Y362 V377 V386 A387 C388 | P358-P384 HydrophobicContact CB-CG 3.85Å; Y362-P384 HydrophobicContact CD2-CB 4.14Å; Y362-P384 HydrophobicContact CG-CB 4.3Å; Y362-P384 HydrophobicContact CG-CG 4.44Å; V377-P384 HydrophobicContact CG2-CB 4.39Å; P384-V386 VanDerWaalsContact C-N 3.26Å; P384-V386 PolarHBondContact O-N 3.18Å; P384-A387 HydrophobicContact CB-CB 4.22Å; P384-A387 PolarHBondContact O-N 3.2Å; P384-C388 PolarHBondContact O-N 2.72Å; P384-C388 VanDerWaalsContact O-N 3.08Å | ||
| 385 | V | 85.4 | Confident | 83.4 | Confident | 31 Ų | 31 | 55.4 Ų | 55.4 | 19% | 0.188 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57 | -37.3 | -176.2 | 174 | 0 | 0 | 0 | 0 | 112.2 | A204 T381 T383 C388 I389 | A204-V385 HydrophobicContact CB-CG1 4.42Å; T381-V385 WeakPolarHBondContact OG1-CG2 3.25Å; T383-V385 VanDerWaalsContact C-N 3.25Å; T383-V385 PolarHBondContact O-N 2.65Å; V385-C388 WeakPolarHBondContact O-CB 3.44Å; V385-C388 PolarHBondContact O-N 3.16Å; V385-I389 HydrophobicContact CG1-CD1 3.7Å; V385-I389 HydrophobicContact CG1-CG1 4.27Å; V385-I389 WeakPolarHBondContact O-CG1 3.3Å; V385-I389 PolarHBondContact O-N 3.17Å |
| 386 | V | 87.6 | Confident | 84 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 30% | 0.303 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 179.3 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | F373 H376 P384 C388 I389 V390 | F373-V386 HydrophobicContact CD2-CG1 4.02Å; F373-V386 HydrophobicContact CE2-CG1 4.44Å; H376-V386 HydrophobicContact CB-CG2 4.17Å; P384-V386 VanDerWaalsContact C-N 3.26Å; P384-V386 PolarHBondContact O-N 3.18Å; V386-C388 VanDerWaalsContact C-N 3.3Å; V386-C388 PolarHBondContact O-N 3.09Å; V386-I389 PolarHBondContact O-N 3.38Å; V386-V390 WeakPolarHBondContact O-CG2 3.4Å; V386-V390 PolarHBondContact O-N 3.31Å; V386-V390 VanDerWaalsContact O-N 3.12Å |
| 387 | A | 88.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.7 | -35.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | P358 I361 P384 S391 | P358-A387 HydrophobicContact CB-CB 4.25Å; I361-A387 HydrophobicContact CB-CB 4.09Å; I361-A387 HydrophobicContact CG2-CB 3.67Å; P384-A387 HydrophobicContact CB-CB 4.22Å; P384-A387 PolarHBondContact O-N 3.2Å; A387-S391 VanDerWaalsContact O-CB 3.3Å; A387-S391 WeakPolarHBondContact O-CB 3.46Å; A387-S391 PolarHBondContact O-N 3.28Å; A387-S391 PolarHBondContact O-OG 2.98Å |
| 388 | C | 90.3 | Very high | 85.1 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.5 | -48.2 | 177.4 | -174.7 | 0 | 0 | 0 | 0 | 112.5 | P358 P384 V385 V386 G392 | P358-C388 HydrophobicContact CB-CB 4.06Å; P358-C388 HydrophobicContact CG-CB 3.7Å; P384-C388 PolarHBondContact O-N 2.72Å; P384-C388 VanDerWaalsContact O-N 3.08Å; V385-C388 WeakPolarHBondContact O-CB 3.44Å; V385-C388 PolarHBondContact O-N 3.16Å; V386-C388 VanDerWaalsContact C-N 3.3Å; V386-C388 PolarHBondContact O-N 3.09Å; C388-G392 PolarHBondContact O-N 3.47Å |
| 389 | I | 91.4 | Very high | 85.7 | Confident | 96 Ų | 96 | 50.6 Ų | 50.6 | 49% | 0.492 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 179.6 | -66.9 | 170.9 | 0 | 0 | 0 | 111.1 | V385 V386 F393 | V385-I389 HydrophobicContact CG1-CD1 3.7Å; V385-I389 HydrophobicContact CG1-CG1 4.27Å; V385-I389 WeakPolarHBondContact O-CG1 3.3Å; V385-I389 PolarHBondContact O-N 3.17Å; V386-I389 PolarHBondContact O-N 3.38Å; I389-F393 VanDerWaalsContact O-CB 3.25Å; I389-F393 WeakPolarHBondContact O-CB 3.32Å; I389-F393 PolarHBondContact O-N 3.41Å |
| 390 | V | 92.8 | Very high | 86.7 | Confident | 74 Ų | 74 | 45.8 Ų | 45.8 | 45% | 0.448 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.3 | -44.6 | -179.1 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | L374 V386 L394 | L374-V390 HydrophobicContact CD2-CB 4.28Å; L374-V390 HydrophobicContact CD2-CG1 4.33Å; L374-V390 HydrophobicContact CD2-CG2 4.32Å; V386-V390 WeakPolarHBondContact O-CG2 3.4Å; V386-V390 PolarHBondContact O-N 3.31Å; V386-V390 VanDerWaalsContact O-N 3.12Å; V390-L394 PolarHBondContact O-N 3.48Å |
| 391 | S | 92.6 | Very high | 87.4 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -76.6 | -37.3 | -178.7 | 62.2 | 0 | 0 | 0 | 0 | 113.1 | L144 A387 L394 A395 | L144-S391 VanDerWaalsContact CD1-O 3.28Å; L144-S391 WeakPolarHBondContact CD1-O 3.39Å; A387-S391 VanDerWaalsContact O-CB 3.3Å; A387-S391 WeakPolarHBondContact O-CB 3.46Å; A387-S391 PolarHBondContact O-N 3.28Å; A387-S391 PolarHBondContact O-OG 2.98Å; S391-L394 PolarHBondContact O-N 2.98Å; S391-A395 PolarHBondContact O-N 3.01Å |
| 392 | G | 92.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T200 C388 A395 A396 | T200-G392 WeakPolarHBondContact OG1-CA 3.46Å; C388-G392 PolarHBondContact O-N 3.47Å; G392-A395 PolarHBondContact O-N 3.22Å; G392-A396 WeakPolarHBondContact O-CB 3.02Å; G392-A396 PolarHBondContact O-N 3.28Å |
| 393 | F | 93.4 | Very high | 88.5 | Confident | 133 Ų | 133 | 34 Ų | 34 | 58% | 0.583 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -63.2 | -42.2 | 171.7 | 177.7 | -100.1 | 0 | 0 | 0 | 112.2 | I389 A396 L397 | I389-F393 VanDerWaalsContact O-CB 3.25Å; I389-F393 WeakPolarHBondContact O-CB 3.32Å; I389-F393 PolarHBondContact O-N 3.41Å; F393-A396 PolarHBondContact O-N 3.01Å; F393-L397 PolarHBondContact O-N 2.95Å |
| 394 | L | 93.4 | Very high | 88.8 | Confident | 68 Ų | 68 | 34.8 Ų | 34.8 | 36% | 0.356 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.5 | -38.1 | 176.5 | -176.6 | 64.4 | 0 | 0 | 0 | 111.8 | L144 V390 S391 L397 L398 | L144-L394 HydrophobicContact CD1-CB 3.89Å; L144-L394 HydrophobicContact CD1-CD2 3.93Å; L144-L394 HydrophobicContact CD1-CG 3.86Å; L144-L394 HydrophobicContact CD2-CD2 3.75Å; L144-L394 HydrophobicContact CD2-CG 4.01Å; L144-L394 HydrophobicContact CG-CG 4.49Å; V390-L394 PolarHBondContact O-N 3.48Å; S391-L394 PolarHBondContact O-N 2.98Å; L394-L397 PolarHBondContact O-N 3.38Å; L394-L398 PolarHBondContact O-N 3.48Å |
| 395 | A | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | L144 T147 A148 S391 G392 L397 L398 A399 | L144-A395 HydrophobicContact CD1-CB 3.96Å; L144-A395 HydrophobicContact CG-CB 4.48Å; T147-A395 HydrophobicContact CG2-CB 3.59Å; A148-A395 WeakPolarHBondContact CB-O 3.49Å; S391-A395 PolarHBondContact O-N 3.01Å; G392-A395 PolarHBondContact O-N 3.22Å; A395-L397 VanDerWaalsContact C-N 3.3Å; A395-L397 PolarHBondContact O-N 2.86Å; A395-L398 PolarHBondContact O-N 2.89Å; A395-A399 PolarHBondContact O-N 3.19Å |
| 396 | A | 93.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -35.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L193 A196 V197 G392 F393 A399 L400 | L193-A396 HydrophobicContact CG-CB 4.21Å; A196-A396 HydrophobicContact CB-CB 3.61Å; V197-A396 HydrophobicContact CG2-CB 3.96Å; G392-A396 WeakPolarHBondContact O-CB 3.02Å; G392-A396 PolarHBondContact O-N 3.28Å; F393-A396 PolarHBondContact O-N 3.01Å; A396-A399 PolarHBondContact O-N 2.87Å; A396-L400 PolarHBondContact O-N 2.97Å; A396-L400 VanDerWaalsContact O-N 3.12Å |
| 397 | L | 91.8 | Very high | 88.4 | Confident | 64 Ų | 64 | 35.8 Ų | 35.8 | 34% | 0.335 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.4 | -37.5 | 172.9 | -176.2 | 62.9 | 0 | 0 | 0 | 112.4 | F393 L394 A395 L400 L401 | F393-L397 PolarHBondContact O-N 2.95Å; L394-L397 PolarHBondContact O-N 3.38Å; A395-L397 VanDerWaalsContact C-N 3.3Å; A395-L397 PolarHBondContact O-N 2.86Å; L397-L400 HydrophobicContact CD1-CD2 4.32Å; L397-L401 HydrophobicContact CD1-CD1 3.79Å; L397-L401 HydrophobicContact CD1-CG 4.29Å; L397-L401 HydrophobicContact CG-CD1 4.04Å; L397-L401 WeakPolarHBondContact O-CB 3.43Å; L397-L401 WeakPolarHBondContact O-CG 3.49Å; L397-L401 PolarHBondContact O-N 2.97Å |
| 398 | L | 89.5 | Confident | 88.2 | Confident | 44 Ų | 44 | 36 Ų | 36 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.2 | -39.2 | 173 | -69.7 | -178 | 0 | 0 | 0 | 112.1 | L144 I145 A148 L394 A395 L400 L401 V402 | L144-L398 HydrophobicContact CD2-CD1 3.63Å; L144-L398 HydrophobicContact CG-CD1 3.91Å; I145-L398 HydrophobicContact CG1-CD1 4.45Å; A148-L398 HydrophobicContact CB-CB 3.9Å; L394-L398 PolarHBondContact O-N 3.48Å; A395-L398 PolarHBondContact O-N 2.89Å; L398-L400 VanDerWaalsContact C-N 3.3Å; L398-L400 PolarHBondContact O-N 3.34Å; L398-L401 PolarHBondContact O-N 3.31Å; L398-V402 HydrophobicContact CD2-CG2 4.07Å; L398-V402 WeakPolarHBondContact O-CB 3.35Å; L398-V402 PolarHBondContact O-N 2.99Å |
| 399 | A | 90 | Very high | 87.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -36.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A148 A151 A192 A395 A396 | A148-A399 HydrophobicContact CB-CB 4.14Å; A151-A399 HydrophobicContact CB-CB 4.41Å; A192-A399 HydrophobicContact CB-CB 3.94Å; A395-A399 PolarHBondContact O-N 3.19Å; A396-A399 PolarHBondContact O-N 2.87Å |
| 400 | L | 88.4 | Confident | 87.3 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.3 | -51.3 | 172.4 | -176.8 | 73.3 | 0 | 0 | 0 | 111.6 | K182 P188 D189 L190 L193 A396 L397 L398 | K182-L400 PolarHBondContact NZ-O 2.85Å; P188-L400 WeakPolarHBondContact CA-O 3.49Å; P188-L400 HydrophobicContact CB-CD1 3.83Å; P188-L400 HydrophobicContact CB-CG 4.13Å; D189-L400 PolarHBondContact N-O 3Å; D189-L400 VanDerWaalsContact N-O 3.1Å; D189-L400 WeakPolarHBondContact O-CD1 3.2Å; L190-L400 HydrophobicContact CD2-CD1 3.77Å; L190-L400 HydrophobicContact CG-CD1 4.25Å; L193-L400 HydrophobicContact CB-CB 4.43Å; L193-L400 HydrophobicContact CB-CD1 4.44Å; L193-L400 HydrophobicContact CD1-CB 4.1Å; L193-L400 HydrophobicContact CD1-CD1 4.17Å; L193-L400 HydrophobicContact CD1-CD2 3.9Å; L193-L400 HydrophobicContact CD1-CG 4.29Å; A396-L400 PolarHBondContact O-N 2.97Å; A396-L400 VanDerWaalsContact O-N 3.12Å; L397-L400 HydrophobicContact CD1-CD2 4.32Å; L398-L400 VanDerWaalsContact C-N 3.3Å; L398-L400 PolarHBondContact O-N 3.34Å |
| 401 | L | 84.3 | Confident | 87 | Confident | 44 Ų | 44 | 30.3 Ų | 30.3 | 23% | 0.23 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -93 | -27.3 | -162.9 | -65.1 | 178.3 | 0 | 0 | 0 | 115.5 | L180 K182 L397 L398 | L180-L401 HydrophobicContact CD1-CD1 4.42Å; K182-L401 WeakPolarHBondContact CD-O 3.45Å; L397-L401 HydrophobicContact CD1-CD1 3.79Å; L397-L401 HydrophobicContact CD1-CG 4.29Å; L397-L401 HydrophobicContact CG-CD1 4.04Å; L397-L401 WeakPolarHBondContact O-CB 3.43Å; L397-L401 WeakPolarHBondContact O-CG 3.49Å; L397-L401 PolarHBondContact O-N 2.97Å; L398-L401 PolarHBondContact O-N 3.31Å |
| 402 | V | 81.9 | Confident | 86.8 | Confident | 19 Ų | 19 | 30 Ų | 30 | 12% | 0.115 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -107.7 | 149.4 | -171.2 | -170 | 0 | 0 | 0 | 0 | 110.7 | K182 L398 D406 L407 | K182-V402 VanDerWaalsContact CE-O 3.31Å; K182-V402 WeakPolarHBondContact CE-O 3.4Å; L398-V402 HydrophobicContact CD2-CG2 4.07Å; L398-V402 WeakPolarHBondContact O-CB 3.35Å; L398-V402 PolarHBondContact O-N 2.99Å; V402-D406 HydrophobicContact CG1-CB 3.78Å; V402-L407 HydrophobicContact CB-CD1 4.47Å; V402-L407 HydrophobicContact CB-CD2 3.95Å; V402-L407 HydrophobicContact CB-CG 4.04Å; V402-L407 HydrophobicContact CG1-CD2 3.91Å; V402-L407 HydrophobicContact CG1-CG 3.85Å |
| 403 | S | 81.1 | Confident | 86.5 | Confident | 23 Ų | 23 | 30 Ų | 30 | 16% | 0.161 | 15% | 0.147 | C | C | . | . | trans | -74.9 | 148.6 | 176 | 84.6 | 0 | 0 | 0 | 0 | 112.1 | G181 R405 D406 L407 | G181-S403 PolarHBondContact O-N 3.3Å; G181-S403 VanDerWaalsContact O-N 3.11Å; S403-R405 VanDerWaalsContact C-N 3.25Å; S403-R405 PolarHBondContact O-N 2.92Å; S403-D406 PolarHBondContact O-N 3.4Å; S403-D406 VanDerWaalsContact O-N 3.1Å; S403-D406 VanDerWaalsContact OG-CB 3.31Å; S403-D406 WeakPolarHBondContact OG-CB 3.47Å; S403-D406 PolarHBondContact OG-N 3.35Å; S403-D406 VanDerWaalsContact OG-N 3.11Å; S403-D406 PolarHBondContact OG-OD2 3.31Å; S403-L407 WeakPolarHBondContact O-CG 3.5Å; S403-L407 PolarHBondContact O-N 2.73Å | ||
| 404 | L | 81.3 | Confident | 86.1 | Confident | 33 Ų | 33 | 23.7 Ų | 23.7 | 17% | 0.173 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.6 | -39.6 | 177.5 | 176.5 | 57.6 | 0 | 0 | 0 | 112.1 | T69 V73 A149 A153 L407 I408 | T69-L404 HydrophobicContact CG2-CD1 4.31Å; V73-L404 HydrophobicContact CG1-CD2 4.16Å; A149-L404 HydrophobicContact CB-CD1 3.95Å; A149-L404 WeakPolarHBondContact O-CD1 3.34Å; A153-L404 HydrophobicContact CB-CD1 4.29Å; A153-L404 HydrophobicContact CB-CD2 3.99Å; L404-L407 PolarHBondContact O-N 3Å; L404-I408 HydrophobicContact CD1-CD1 3.96Å; L404-I408 HydrophobicContact CD1-CG1 4.34Å; L404-I408 HydrophobicContact CG-CD1 3.89Å; L404-I408 WeakPolarHBondContact O-CD1 3.34Å; L404-I408 VanDerWaalsContact O-CG1 3.29Å; L404-I408 WeakPolarHBondContact O-CG1 3.44Å; L404-I408 PolarHBondContact O-N 3.41Å |
| 405 | R | 79.4 | Confident | 85.9 | Confident | 92 Ų | 92 | 20.5 Ų | 20.5 | 35% | 0.347 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -59.1 | -50.2 | 174 | -174.6 | -161.7 | -169.7 | 111.7 | 12.5 | 111.7 | E81 S403 L407 I408 E409 | E81-R405 VanDerWaalsContact CD-NH1 3.31Å; E81-R405 IonicContact OE1-NH1 2.72Å; E81-R405 PolarHBondContact OE1-NH1 2.93Å; E81-R405 VanDerWaalsContact OE1-NH1 3.11Å; E81-R405 IonicContact OE2-CZ 3.14Å; E81-R405 IonicContact OE2-NH1 3.24Å; E81-R405 PolarHBondContact OE2-NH1 2.83Å; E81-R405 IonicContact OE2-NH2 2.78Å; E81-R405 PolarHBondContact OE2-NH2 3.09Å; S403-R405 VanDerWaalsContact C-N 3.25Å; S403-R405 PolarHBondContact O-N 2.92Å; R405-L407 VanDerWaalsContact C-N 3.29Å; R405-L407 PolarHBondContact O-N 3.05Å; R405-I408 PolarHBondContact O-N 2.85Å; R405-E409 IonicContact NE-OE1 2.62Å; R405-E409 PolarHBondContact NE-OE1 3.47Å; R405-E409 VanDerWaalsContact NE-OE1 3.07Å; R405-E409 PolarHBondContact O-N 2.76Å |
| 406 | D | 81.8 | Confident | 85.8 | Confident | 23 Ų | 23 | 20.5 Ų | 20.5 | 12% | 0.123 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.7 | -33.9 | -177.9 | -71.2 | -52.9 | 0 | 0 | 0 | 112 | V402 S403 M410 R657 | V402-D406 HydrophobicContact CG1-CB 3.78Å; S403-D406 PolarHBondContact O-N 3.4Å; S403-D406 VanDerWaalsContact O-N 3.1Å; S403-D406 VanDerWaalsContact OG-CB 3.31Å; S403-D406 WeakPolarHBondContact OG-CB 3.47Å; S403-D406 PolarHBondContact OG-N 3.35Å; S403-D406 VanDerWaalsContact OG-N 3.11Å; S403-D406 PolarHBondContact OG-OD2 3.31Å; D406-M410 WeakPolarHBondContact O-CB 3.42Å; D406-M410 PolarHBondContact O-N 3.42Å; D406-R657 VanDerWaalsContact CG-CZ 3.49Å; D406-R657 VanDerWaalsContact CG-NH1 3.32Å; D406-R657 IonicContact OD1-CZ 3.6Å; D406-R657 IonicContact OD1-NH1 3.11Å; D406-R657 PolarHBondContact OD1-NH1 2.9Å; D406-R657 IonicContact OD1-NH2 3.89Å; D406-R657 PolarHBondContact OD1-NH2 3.22Å; D406-R657 IonicContact OD2-NH2 2.66Å; D406-R657 PolarHBondContact OD2-NH2 2.91Å |
| 407 | L | 84.8 | Confident | 85.5 | Confident | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.1 | -46.5 | 170.9 | -67.6 | 168.8 | 0 | 0 | 0 | 111.4 | I145 A148 A149 V402 S403 L404 R405 M410 M411 | I145-L407 HydrophobicContact CG1-CD2 4.34Å; I145-L407 HydrophobicContact CG2-CB 3.89Å; I145-L407 HydrophobicContact CG2-CD2 3.92Å; I145-L407 WeakPolarHBondContact CG2-O 3.29Å; A148-L407 HydrophobicContact CB-CD1 3.91Å; A148-L407 HydrophobicContact CB-CD2 4.02Å; A149-L407 HydrophobicContact CB-CB 4.09Å; A149-L407 HydrophobicContact CB-CD1 4.45Å; V402-L407 HydrophobicContact CB-CD1 4.47Å; V402-L407 HydrophobicContact CB-CD2 3.95Å; V402-L407 HydrophobicContact CB-CG 4.04Å; V402-L407 HydrophobicContact CG1-CD2 3.91Å; V402-L407 HydrophobicContact CG1-CG 3.85Å; S403-L407 WeakPolarHBondContact O-CG 3.5Å; S403-L407 PolarHBondContact O-N 2.73Å; L404-L407 PolarHBondContact O-N 3Å; R405-L407 VanDerWaalsContact C-N 3.29Å; R405-L407 PolarHBondContact O-N 3.05Å; L407-M410 PolarHBondContact O-N 3.29Å; L407-M411 PolarHBondContact O-N 3.15Å |
| 408 | I | 83.2 | Confident | 85.3 | Confident | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.015 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.6 | -48 | 177.4 | -72.5 | 158.1 | 0 | 0 | 0 | 111.5 | T69 V74 T260 Y263 L404 R405 S412 | T69-I408 HydrophobicContact CG2-CD1 4.47Å; V74-I408 HydrophobicContact CG2-CD1 3.84Å; V74-I408 HydrophobicContact CG2-CG1 4.45Å; V74-I408 HydrophobicContact CG2-CG2 4.46Å; T260-I408 HydrophobicContact CG2-CG2 4.22Å; Y263-I408 HydrophobicContact CD1-CG1 4.34Å; Y263-I408 HydrophobicContact CD1-CG2 4.29Å; Y263-I408 HydrophobicContact CD2-CB 4.13Å; Y263-I408 HydrophobicContact CD2-CG1 4.04Å; Y263-I408 HydrophobicContact CD2-CG2 3.9Å; Y263-I408 HydrophobicContact CE1-CG1 4.07Å; Y263-I408 HydrophobicContact CE2-CB 4.28Å; Y263-I408 HydrophobicContact CE2-CG1 3.75Å; Y263-I408 HydrophobicContact CE2-CG2 4.48Å; Y263-I408 HydrophobicContact CG-CB 4.46Å; Y263-I408 HydrophobicContact CG-CG1 4.33Å; Y263-I408 HydrophobicContact CG-CG2 3.79Å; L404-I408 HydrophobicContact CD1-CD1 3.96Å; L404-I408 HydrophobicContact CD1-CG1 4.34Å; L404-I408 HydrophobicContact CG-CD1 3.89Å; L404-I408 WeakPolarHBondContact O-CD1 3.34Å; L404-I408 VanDerWaalsContact O-CG1 3.29Å; L404-I408 WeakPolarHBondContact O-CG1 3.44Å; L404-I408 PolarHBondContact O-N 3.41Å; R405-I408 PolarHBondContact O-N 2.85Å; I408-S412 PolarHBondContact O-N 3.26Å; I408-S412 PolarHBondContact O-OG 3.28Å |
| 409 | E | 81.1 | Confident | 85.3 | Confident | 22 Ų | 22 | 16.4 Ų | 16.4 | 10% | 0.103 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 178.2 | -68.2 | -172.1 | -146.5 | 0 | 0 | 111.4 | R405 S412 S651 T654 | R405-E409 IonicContact NE-OE1 2.62Å; R405-E409 PolarHBondContact NE-OE1 3.47Å; R405-E409 VanDerWaalsContact NE-OE1 3.07Å; R405-E409 PolarHBondContact O-N 2.76Å; E409-S412 PolarHBondContact O-N 2.82Å; E409-S651 WeakPolarHBondContact OE2-CB 3.48Å; E409-T654 HydrophobicContact CB-CG2 4.12Å; E409-T654 WeakPolarHBondContact O-CG2 3.49Å; E409-T654 PolarHBondContact OE2-OG1 3.33Å |
| 410 | M | 82.9 | Confident | 85.4 | Confident | 26 Ų | 26 | 16.4 Ų | 16.4 | 13% | 0.128 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -74 | -29.5 | -177.9 | -170.4 | 177.3 | 178.1 | 0 | 0 | 114.4 | L141 I145 D406 L407 I413 T654 R657 W661 | L141-M410 HydrophobicContact CD1-CE 4.15Å; L141-M410 HydrophobicContact CD2-CE 4.25Å; I145-M410 HydrophobicContact CD1-CB 3.92Å; I145-M410 HydrophobicContact CD1-CE 4.28Å; I145-M410 HydrophobicContact CD1-CG 3.56Å; I145-M410 HydrophobicContact CD1-SD 3.8Å; D406-M410 WeakPolarHBondContact O-CB 3.42Å; D406-M410 PolarHBondContact O-N 3.42Å; L407-M410 PolarHBondContact O-N 3.29Å; M410-I413 VanDerWaalsContact O-CG2 3.25Å; M410-I413 WeakPolarHBondContact O-CG2 3.18Å; M410-T654 HydrophobicContact CB-CG2 4.5Å; M410-R657 HydrophobicContact CE-CB 3.88Å; M410-R657 HydrophobicContact CG-CB 4.44Å; M410-R657 HydrophobicContact SD-CB 3.79Å; M410-R657 HydrophobicContact SD-CG 4.5Å; M410-W661 HydrophobicContact CE-CB 4.32Å |
| 411 | M | 86.7 | Confident | 85.3 | Confident | 7 Ų | 7 | 16.6 Ų | 16.6 | 3% | 0.034 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.2 | -49 | 167.7 | 179.7 | -170.5 | -82.4 | 0 | 0 | 110.4 | E142 I145 G146 Y263 I266 L407 I413 G414 T415 | E142-M411 HydrophobicContact CG-CG 4.45Å; E142-M411 WeakPolarHBondContact O-CE 3.39Å; I145-M411 HydrophobicContact CB-CB 4.49Å; I145-M411 HydrophobicContact CG2-CB 3.78Å; G146-M411 VanDerWaalsContact N-CE 3.32Å; Y263-M411 HydrophobicContact CD2-CB 4.37Å; Y263-M411 HydrophobicContact CD2-CG 4.49Å; Y263-M411 HydrophobicContact CD2-SD 3.49Å; Y263-M411 WeakPolarHBondContact CD2-SD 3.24Å; Y263-M411 HydrophobicContact CE2-CE 3.87Å; Y263-M411 HydrophobicContact CE2-SD 3.42Å; Y263-M411 WeakPolarHBondContact CE2-SD 3.28Å; I266-M411 HydrophobicContact CB-SD 4.02Å; I266-M411 HydrophobicContact CD1-CG 3.75Å; I266-M411 HydrophobicContact CD1-SD 3.53Å; I266-M411 VanDerWaalsContact CD1-SD 3.53Å; I266-M411 HydrophobicContact CG1-SD 4.34Å; I266-M411 HydrophobicContact CG2-CG 4.48Å; I266-M411 HydrophobicContact CG2-SD 3.72Å; L407-M411 PolarHBondContact O-N 3.15Å; M411-I413 VanDerWaalsContact C-N 3.31Å; M411-I413 PolarHBondContact O-N 3.42Å; M411-G414 PolarHBondContact O-N 3.49Å; M411-T415 PolarHBondContact O-N 3.29Å; M411-T415 PolarHBondContact O-OG1 2.98Å |
| 412 | S | 87.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.007 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.6 | -41.3 | -168.7 | -59 | 0 | 0 | 0 | 0 | 112.5 | I408 E409 L416 | I408-S412 PolarHBondContact O-N 3.26Å; I408-S412 PolarHBondContact O-OG 3.28Å; E409-S412 PolarHBondContact O-N 2.82Å; S412-L416 VanDerWaalsContact O-CB 3.26Å; S412-L416 WeakPolarHBondContact O-CB 3.39Å; S412-L416 VanDerWaalsContact O-CD1 3.31Å; S412-L416 WeakPolarHBondContact O-CD1 3.36Å; S412-L416 WeakPolarHBondContact O-CG 3.39Å; S412-L416 PolarHBondContact O-N 3.29Å |
| 413 | I | 87.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 176.4 | -177.3 | 161.8 | 0 | 0 | 0 | 113 | M410 M411 L417 M647 L650 T654 W655 F658 | M410-I413 VanDerWaalsContact O-CG2 3.25Å; M410-I413 WeakPolarHBondContact O-CG2 3.18Å; M411-I413 VanDerWaalsContact C-N 3.31Å; M411-I413 PolarHBondContact O-N 3.42Å; I413-L417 WeakPolarHBondContact O-CB 3.39Å; I413-L417 PolarHBondContact O-N 2.83Å; I413-L417 VanDerWaalsContact O-N 3.12Å; I413-M647 HydrophobicContact CD1-CG 4.44Å; I413-M647 HydrophobicContact CG1-CG 3.99Å; I413-L650 HydrophobicContact CB-CD1 3.75Å; I413-T654 HydrophobicContact CB-CG2 4.35Å; I413-T654 HydrophobicContact CG2-CG2 3.77Å; I413-W655 HydrophobicContact CD1-CD2 3.54Å; I413-W655 HydrophobicContact CD1-CE3 3.85Å; I413-W655 HydrophobicContact CD1-CG 3.87Å; I413-W655 HydrophobicContact CD1-CH2 4.4Å; I413-W655 HydrophobicContact CD1-CZ2 4.14Å; I413-W655 HydrophobicContact CD1-CZ3 4.26Å; I413-F658 HydrophobicContact CD1-CB 4.04Å; I413-F658 HydrophobicContact CD1-CD1 3.97Å; I413-F658 HydrophobicContact CD1-CG 4.08Å; I413-F658 HydrophobicContact CG1-CB 4.46Å; I413-F658 HydrophobicContact CG1-CD1 4.07Å; I413-F658 HydrophobicContact CG1-CG 4.09Å; I413-F658 HydrophobicContact CG2-CB 3.97Å; I413-F658 HydrophobicContact CG2-CD2 3.99Å; I413-F658 HydrophobicContact CG2-CG 4.01Å |
| 414 | G | 85.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -67 | -46.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | M411 L417 A418 | M411-G414 PolarHBondContact O-N 3.49Å; G414-L417 PolarHBondContact O-N 3.08Å; G414-A418 PolarHBondContact O-N 3.05Å |
| 415 | T | 88.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 177.4 | -55.2 | 0 | 0 | 0 | 0 | 112.2 | E142 F262 I266 M411 L417 A418 Y419 | E142-T415 WeakPolarHBondContact CG-OG1 3.25Å; E142-T415 WeakPolarHBondContact OE1-CB 3.35Å; E142-T415 WeakPolarHBondContact OE1-CG2 3.3Å; E142-T415 PolarHBondContact OE1-OG1 3.04Å; F262-T415 HydrophobicContact CE1-CG2 3.98Å; F262-T415 HydrophobicContact CZ-CG2 4.46Å; I266-T415 HydrophobicContact CD1-CG2 3.93Å; I266-T415 HydrophobicContact CG1-CG2 3.89Å; I266-T415 HydrophobicContact CG2-CG2 4.08Å; M411-T415 PolarHBondContact O-N 3.29Å; M411-T415 PolarHBondContact O-OG1 2.98Å; T415-L417 PolarHBondContact O-N 3Å; T415-A418 PolarHBondContact O-N 2.64Å; T415-Y419 HydrophobicContact CG2-CD1 3.77Å; T415-Y419 HydrophobicContact CG2-CD2 4.35Å; T415-Y419 HydrophobicContact CG2-CE1 3.32Å; T415-Y419 HydrophobicContact CG2-CE2 3.92Å; T415-Y419 HydrophobicContact CG2-CG 4.29Å; T415-Y419 VanDerWaalsContact CG2-CZ 3.4Å; T415-Y419 WeakPolarHBondContact O-CB 3.47Å; T415-Y419 VanDerWaalsContact O-CD1 3.25Å; T415-Y419 WeakPolarHBondContact O-CD1 3.19Å; T415-Y419 PolarHBondContact O-N 2.88Å |
| 416 | L | 90.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -57.3 | -39.7 | 176.1 | -75.3 | 166.3 | 0 | 0 | 0 | 111.1 | F262 S412 Y419 T420 N643 L646 M647 L650 | F262-L416 HydrophobicContact CD1-CD1 4.38Å; F262-L416 HydrophobicContact CD1-CD2 3.84Å; F262-L416 HydrophobicContact CD1-CG 3.87Å; F262-L416 HydrophobicContact CD2-CD2 3.98Å; F262-L416 HydrophobicContact CE1-CD2 3.54Å; F262-L416 HydrophobicContact CE1-CG 3.62Å; F262-L416 HydrophobicContact CE2-CD2 3.67Å; F262-L416 HydrophobicContact CG-CD2 4.05Å; F262-L416 HydrophobicContact CG-CG 4.49Å; F262-L416 HydrophobicContact CZ-CD2 3.43Å; F262-L416 VanDerWaalsContact CZ-CD2 3.43Å; F262-L416 HydrophobicContact CZ-CG 4.02Å; S412-L416 VanDerWaalsContact O-CB 3.26Å; S412-L416 WeakPolarHBondContact O-CB 3.39Å; S412-L416 VanDerWaalsContact O-CD1 3.31Å; S412-L416 WeakPolarHBondContact O-CD1 3.36Å; S412-L416 WeakPolarHBondContact O-CG 3.39Å; S412-L416 PolarHBondContact O-N 3.29Å; L416-Y419 PolarHBondContact O-N 2.91Å; L416-T420 WeakPolarHBondContact O-CG2 3.47Å; L416-T420 PolarHBondContact O-N 3.41Å; L416-N643 HydrophobicContact CD2-CB 3.87Å; L416-L646 HydrophobicContact CD1-CB 3.99Å; L416-L646 HydrophobicContact CD2-CB 4.2Å; L416-L646 HydrophobicContact CD2-CD1 4.37Å; L416-M647 HydrophobicContact CB-CB 4.37Å; L416-M647 HydrophobicContact CB-CE 3.95Å; L416-M647 HydrophobicContact CD1-CB 4.13Å; L416-L650 HydrophobicContact CD1-CD1 4.3Å |
| 417 | L | 88.7 | Confident | 86.6 | Confident | 24 Ų | 24 | 6.3 Ų | 6.3 | 13% | 0.126 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -67.9 | -47.4 | 176.6 | -170.2 | 64.1 | 0 | 0 | 0 | 111.5 | F134 I413 G414 T415 Y419 T420 L421 M647 F658 | F134-L417 HydrophobicContact CE1-CD2 3.59Å; F134-L417 HydrophobicContact CE1-CG 4.36Å; F134-L417 HydrophobicContact CZ-CD2 3.68Å; I413-L417 WeakPolarHBondContact O-CB 3.39Å; I413-L417 PolarHBondContact O-N 2.83Å; I413-L417 VanDerWaalsContact O-N 3.12Å; G414-L417 PolarHBondContact O-N 3.08Å; T415-L417 PolarHBondContact O-N 3Å; L417-Y419 VanDerWaalsContact C-N 3.27Å; L417-Y419 PolarHBondContact O-N 2.88Å; L417-T420 PolarHBondContact O-N 3.45Å; L417-T420 PolarHBondContact O-OG1 3.12Å; L417-L421 HydrophobicContact CG-CD1 4.23Å; L417-L421 WeakPolarHBondContact O-CG 3.21Å; L417-L421 PolarHBondContact O-N 2.74Å; L417-M647 HydrophobicContact CB-CE 3.79Å; L417-M647 HydrophobicContact CD1-CE 3.91Å; L417-M647 HydrophobicContact CG-CE 4.46Å; L417-F658 HydrophobicContact CD2-CE1 3.71Å; L417-F658 HydrophobicContact CD2-CZ 3.6Å |
| 418 | A | 87.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -54.9 | -43 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G414 T415 L421 V422 | G414-A418 PolarHBondContact O-N 3.05Å; T415-A418 PolarHBondContact O-N 2.64Å; A418-L421 PolarHBondContact O-N 3.27Å; A418-V422 PolarHBondContact O-N 3.17Å |
| 419 | Y | 89.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -68.9 | -35.9 | 179.6 | -72 | 18.3 | 0 | 0 | 0 | 112.4 | S101 Y105 F262 F268 D269 T415 L416 L417 S423 N643 | S101-Y419 VanDerWaalsContact CB-CD2 3.45Å; Y105-Y419 AromaticContact CE2-CD1 3.41Å; Y105-Y419 HydrophobicContact CE2-CD1 3.41Å; Y105-Y419 VanDerWaalsContact CE2-CD1 3.41Å; Y105-Y419 AromaticContact CE2-CE1 3.76Å; Y105-Y419 HydrophobicContact CE2-CE1 3.76Å; Y105-Y419 AromaticContact CE2-CG 3.89Å; Y105-Y419 HydrophobicContact CE2-CG 3.89Å; Y105-Y419 AromaticContact CZ-CD1 3.65Å; Y105-Y419 AromaticContact CZ-CE1 3.82Å; Y105-Y419 VanDerWaalsContact OH-CD1 3.22Å; Y105-Y419 WeakPolarHBondContact OH-CD1 3.43Å; F262-Y419 HydrophobicContact CE1-CE2 4.42Å; F262-Y419 HydrophobicContact CE2-CD2 4.39Å; F262-Y419 HydrophobicContact CE2-CE2 4.41Å; F262-Y419 AromaticContact CZ-CD2 3.63Å; F262-Y419 HydrophobicContact CZ-CD2 3.63Å; F262-Y419 AromaticContact CZ-CE2 3.62Å; F262-Y419 HydrophobicContact CZ-CE2 3.62Å; F268-Y419 AromaticContact CE1-CE2 3.51Å; F268-Y419 HydrophobicContact CE1-CE2 3.51Å; F268-Y419 AromaticContact CE1-CZ 3.65Å; F268-Y419 WeakPolarHBondContact CE1-OH 3.5Å; F268-Y419 HydrophobicContact CE2-CE2 4.44Å; F268-Y419 HydrophobicContact CZ-CD2 4.17Å; F268-Y419 HydrophobicContact CZ-CE1 4.32Å; F268-Y419 AromaticContact CZ-CE2 3.32Å; F268-Y419 HydrophobicContact CZ-CE2 3.32Å; F268-Y419 AromaticContact CZ-CZ 3.41Å; F268-Y419 VanDerWaalsContact CZ-CZ 3.41Å; F268-Y419 WeakPolarHBondContact CZ-OH 3.35Å; D269-Y419 HydrophobicContact CB-CE1 4.4Å; T415-Y419 HydrophobicContact CG2-CD1 3.77Å; T415-Y419 HydrophobicContact CG2-CD2 4.35Å; T415-Y419 HydrophobicContact CG2-CE1 3.32Å; T415-Y419 HydrophobicContact CG2-CE2 3.92Å; T415-Y419 HydrophobicContact CG2-CG 4.29Å; T415-Y419 VanDerWaalsContact CG2-CZ 3.4Å; T415-Y419 WeakPolarHBondContact O-CB 3.47Å; T415-Y419 VanDerWaalsContact O-CD1 3.25Å; T415-Y419 WeakPolarHBondContact O-CD1 3.19Å; T415-Y419 PolarHBondContact O-N 2.88Å; L416-Y419 PolarHBondContact O-N 2.91Å; L417-Y419 VanDerWaalsContact C-N 3.27Å; L417-Y419 PolarHBondContact O-N 2.88Å; Y419-S423 WeakPolarHBondContact O-CB 3.3Å; Y419-S423 PolarHBondContact O-N 3.41Å; Y419-S423 PolarHBondContact O-OG 3.35Å; Y419-N643 WeakPolarHBondContact CB-ND2 3.35Å |
| 420 | T | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 170.3 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | L416 L417 S423 V424 N643 I644 | L416-T420 WeakPolarHBondContact O-CG2 3.47Å; L416-T420 PolarHBondContact O-N 3.41Å; L417-T420 PolarHBondContact O-N 3.45Å; L417-T420 PolarHBondContact O-OG1 3.12Å; T420-S423 WeakPolarHBondContact O-CB 3.32Å; T420-S423 PolarHBondContact O-N 3.46Å; T420-V424 WeakPolarHBondContact O-CG2 3.47Å; T420-V424 PolarHBondContact O-N 3.35Å; T420-N643 HydrophobicContact CG2-CB 3.57Å; T420-I644 HydrophobicContact CG2-CG1 3.96Å |
| 421 | L | 87.3 | Confident | 86.1 | Confident | 30 Ų | 30 | 5.3 Ų | 5.3 | 16% | 0.157 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -67.9 | -38.8 | -179.3 | -68.3 | 171.2 | 0 | 0 | 0 | 112.3 | F134 I135 L417 A418 S423 V424 C425 | F134-L421 HydrophobicContact CD1-CD1 3.88Å; F134-L421 HydrophobicContact CE1-CD1 4Å; I135-L421 HydrophobicContact CD1-CB 3.93Å; I135-L421 HydrophobicContact CD1-CD1 4.33Å; I135-L421 HydrophobicContact CG1-CB 4.07Å; I135-L421 HydrophobicContact CG1-CD1 3.7Å; L417-L421 HydrophobicContact CG-CD1 4.23Å; L417-L421 WeakPolarHBondContact O-CG 3.21Å; L417-L421 PolarHBondContact O-N 2.74Å; A418-L421 PolarHBondContact O-N 3.27Å; L421-S423 VanDerWaalsContact C-N 3.34Å; L421-V424 WeakPolarHBondContact O-CB 3.43Å; L421-V424 PolarHBondContact O-N 3.21Å; L421-C425 PolarHBondContact O-N 3.46Å; L421-C425 PolarHBondContact O-SG 3.38Å |
| 422 | V | 86.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.4 | -39.3 | 171.8 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | Y105 F108 A418 C425 V426 | Y105-V422 HydrophobicContact CD1-CG1 4.46Å; Y105-V422 HydrophobicContact CD2-CB 4.49Å; Y105-V422 HydrophobicContact CD2-CG1 3.86Å; Y105-V422 HydrophobicContact CE1-CG1 4.41Å; Y105-V422 HydrophobicContact CE1-CG2 4.14Å; Y105-V422 HydrophobicContact CE2-CB 3.91Å; Y105-V422 HydrophobicContact CE2-CG1 3.78Å; Y105-V422 HydrophobicContact CE2-CG2 4.14Å; Y105-V422 HydrophobicContact CG-CG1 4.21Å; F108-V422 HydrophobicContact CD2-CG1 3.7Å; F108-V422 HydrophobicContact CD2-CG2 4.45Å; F108-V422 HydrophobicContact CE2-CG1 4.13Å; F108-V422 HydrophobicContact CE2-CG2 4.06Å; F108-V422 HydrophobicContact CG-CG1 4.26Å; A418-V422 PolarHBondContact O-N 3.17Å; V422-C425 PolarHBondContact O-N 3.1Å; V422-V426 HydrophobicContact CG1-CG2 4.49Å; V422-V426 WeakPolarHBondContact O-CG2 3.41Å; V422-V426 PolarHBondContact O-N 3.12Å |
| 423 | S | 89.1 | Confident | 84.6 | Confident | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.007 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 174.4 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | Y419 T420 L421 L427 | Y419-S423 WeakPolarHBondContact O-CB 3.3Å; Y419-S423 PolarHBondContact O-N 3.41Å; Y419-S423 PolarHBondContact O-OG 3.35Å; T420-S423 WeakPolarHBondContact O-CB 3.32Å; T420-S423 PolarHBondContact O-N 3.46Å; L421-S423 VanDerWaalsContact C-N 3.34Å; S423-L427 WeakPolarHBondContact O-CB 3.16Å; S423-L427 PolarHBondContact O-N 2.99Å; S423-L427 VanDerWaalsContact O-N 3.16Å |
| 424 | V | 88.7 | Confident | 83.1 | Confident | 14 Ų | 14 | 9.5 Ų | 9.5 | 9% | 0.085 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -59.6 | -51.1 | 170.4 | 167.5 | 0 | 0 | 0 | 0 | 110.7 | T420 L421 V426 L427 L428 V569 F573 M640 | T420-V424 WeakPolarHBondContact O-CG2 3.47Å; T420-V424 PolarHBondContact O-N 3.35Å; L421-V424 WeakPolarHBondContact O-CB 3.43Å; L421-V424 PolarHBondContact O-N 3.21Å; V424-V426 PolarHBondContact O-N 2.97Å; V424-L427 WeakPolarHBondContact O-CB 3.33Å; V424-L427 PolarHBondContact O-N 3.14Å; V424-L427 VanDerWaalsContact O-N 3.14Å; V424-L428 HydrophobicContact CG1-CD1 3.84Å; V424-L428 HydrophobicContact CG1-CG 4.18Å; V424-L428 WeakPolarHBondContact O-CG 3.44Å; V424-L428 PolarHBondContact O-N 3.48Å; V424-V569 HydrophobicContact CB-CG1 4.49Å; V424-V569 HydrophobicContact CG1-CG1 3.95Å; V424-V569 HydrophobicContact CG2-CG1 4.36Å; V424-F573 HydrophobicContact CG2-CD2 4.41Å; V424-M640 HydrophobicContact CG2-SD 3.41Å; V424-M640 WeakPolarHBondContact CG2-SD 3.43Å |
| 425 | C | 82.5 | Confident | 81.3 | Confident | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.014 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.8 | -52.8 | -178.1 | -66.4 | 0 | 0 | 0 | 0 | 111.4 | Y122 L421 V422 L427 L428 L429 | Y122-C425 HydrophobicContact CE1-CB 4.44Å; L421-C425 PolarHBondContact O-N 3.46Å; L421-C425 PolarHBondContact O-SG 3.38Å; V422-C425 PolarHBondContact O-N 3.1Å; C425-L427 PolarHBondContact O-N 2.74Å; C425-L428 PolarHBondContact O-N 3.17Å; C425-L429 HydrophobicContact CB-CD1 4.2Å; C425-L429 WeakPolarHBondContact O-CB 3.11Å; C425-L429 WeakPolarHBondContact O-CD1 3.47Å; C425-L429 WeakPolarHBondContact O-CG 3.34Å; C425-L429 PolarHBondContact O-N 2.66Å |
| 426 | V | 84.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.1 | -39 | 177.8 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | C104 F108 V422 V424 R430 | C104-V426 HydrophobicContact CB-CG2 4.37Å; F108-V426 HydrophobicContact CB-CG2 4.17Å; F108-V426 HydrophobicContact CD2-CG2 4.1Å; V422-V426 HydrophobicContact CG1-CG2 4.49Å; V422-V426 WeakPolarHBondContact O-CG2 3.41Å; V422-V426 PolarHBondContact O-N 3.12Å; V424-V426 PolarHBondContact O-N 2.97Å; V426-R430 WeakPolarHBondContact O-CG 3.18Å; V426-R430 PolarHBondContact O-N 3.49Å |
| 427 | L | 86 | Confident | 77.3 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.3 | -46 | 179 | -173.7 | 58.2 | 0 | 0 | 0 | 112.7 | S423 V424 C425 L429 R430 Y431 V569 I615 L632 P633 P636 M640 | S423-L427 WeakPolarHBondContact O-CB 3.16Å; S423-L427 PolarHBondContact O-N 2.99Å; S423-L427 VanDerWaalsContact O-N 3.16Å; V424-L427 WeakPolarHBondContact O-CB 3.33Å; V424-L427 PolarHBondContact O-N 3.14Å; V424-L427 VanDerWaalsContact O-N 3.14Å; C425-L427 PolarHBondContact O-N 2.74Å; L427-L429 VanDerWaalsContact C-N 3.31Å; L427-L429 PolarHBondContact O-N 3.2Å; L427-R430 PolarHBondContact O-N 3Å; L427-Y431 HydrophobicContact CD1-CE2 4Å; L427-Y431 VanDerWaalsContact O-CD2 3.31Å; L427-Y431 WeakPolarHBondContact O-CD2 3.32Å; L427-V569 HydrophobicContact CD2-CG1 4.12Å; L427-V569 HydrophobicContact CD2-CG2 3.66Å; L427-V569 HydrophobicContact CG-CG2 3.8Å; L427-I615 HydrophobicContact CD1-CG2 4.34Å; L427-L632 HydrophobicContact CD1-CD2 3.88Å; L427-L632 HydrophobicContact CD1-CG 4.47Å; L427-P633 HydrophobicContact CD1-CB 3.51Å; L427-P636 HydrophobicContact CB-CB 4.22Å; L427-M640 HydrophobicContact CD2-CE 3.93Å |
| 428 | L | 83.5 | Confident | 74.8 | Confident | 10 Ų | 10 | 22.5 Ų | 22.5 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.1 | -45.9 | 175.2 | -66 | 174.2 | 0 | 0 | 0 | 111.6 | V127 V424 C425 R430 Y431 Q432 T566 V569 | V127-L428 HydrophobicContact CG2-CD1 4.14Å; V424-L428 HydrophobicContact CG1-CD1 3.84Å; V424-L428 HydrophobicContact CG1-CG 4.18Å; V424-L428 WeakPolarHBondContact O-CG 3.44Å; V424-L428 PolarHBondContact O-N 3.48Å; C425-L428 PolarHBondContact O-N 3.17Å; L428-R430 PolarHBondContact O-N 2.84Å; L428-R430 VanDerWaalsContact O-N 3.13Å; L428-Y431 PolarHBondContact O-N 2.82Å; L428-Y431 VanDerWaalsContact O-N 3.11Å; L428-Q432 PolarHBondContact O-N 3.24Å; L428-T566 HydrophobicContact CD2-CG2 4.1Å; L428-V569 HydrophobicContact CD2-CB 3.92Å; L428-V569 HydrophobicContact CD2-CG1 4.07Å; L428-V569 HydrophobicContact CD2-CG2 4.22Å; L428-V569 HydrophobicContact CG-CG1 4.4Å |
| 429 | L | 76.5 | Confident | 72.7 | Confident | 9 Ų | 9 | 24.3 Ų | 24.3 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 12.3 | -172.6 | -72.1 | 145.1 | 0 | 0 | 0 | 114.5 | R111 Y122 T126 C425 L427 | R111-L429 PolarHBondContact NH1-O 3.49Å; R111-L429 PolarHBondContact NH2-O 3.4Å; R111-L429 VanDerWaalsContact NH2-O 3.07Å; Y122-L429 HydrophobicContact CD1-CD1 4.27Å; Y122-L429 HydrophobicContact CE1-CD1 3.31Å; Y122-L429 HydrophobicContact CE2-CD1 4.43Å; Y122-L429 VanDerWaalsContact CZ-CD1 3.42Å; Y122-L429 WeakPolarHBondContact OH-CB 3.14Å; Y122-L429 WeakPolarHBondContact OH-CD1 3.4Å; T126-L429 HydrophobicContact CG2-CD1 3.57Å; T126-L429 HydrophobicContact CG2-CD2 3.36Å; T126-L429 HydrophobicContact CG2-CG 4.06Å; T126-L429 WeakPolarHBondContact OG1-CD1 3.48Å; C425-L429 HydrophobicContact CB-CD1 4.2Å; C425-L429 WeakPolarHBondContact O-CB 3.11Å; C425-L429 WeakPolarHBondContact O-CD1 3.47Å; C425-L429 WeakPolarHBondContact O-CG 3.34Å; C425-L429 PolarHBondContact O-N 2.66Å; L427-L429 VanDerWaalsContact C-N 3.31Å; L427-L429 PolarHBondContact O-N 3.2Å |
| 430 | R | 80.8 | Confident | 70.4 | Confident | 14 Ų | 14 | 26 Ų | 26 | 5% | 0.053 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -13.6 | 166.2 | -78.7 | -73.2 | -162.8 | 130.3 | 9.8 | 113 | E107 V426 L427 L428 E620 N621 M628 L632 | E107-R430 IonicContact OE1-CZ 3.2Å; E107-R430 IonicContact OE1-NE 3.71Å; E107-R430 PolarHBondContact OE1-NE 2.93Å; E107-R430 IonicContact OE1-NH2 3.48Å; E107-R430 PolarHBondContact OE1-NH2 3.24Å; E107-R430 IonicContact OE2-CZ 2.67Å; E107-R430 IonicContact OE2-NE 2.65Å; E107-R430 PolarHBondContact OE2-NE 3.31Å; E107-R430 IonicContact OE2-NH2 2.75Å; E107-R430 PolarHBondContact OE2-NH2 3.34Å; V426-R430 WeakPolarHBondContact O-CG 3.18Å; V426-R430 PolarHBondContact O-N 3.49Å; L427-R430 PolarHBondContact O-N 3Å; L428-R430 PolarHBondContact O-N 2.84Å; L428-R430 VanDerWaalsContact O-N 3.13Å; R430-E620 IonicContact NH1-OE2 2.64Å; R430-E620 CarbonylContact O-C 3.56Å; R430-E620 WeakPolarHBondContact O-CA 3.39Å; R430-N621 PolarHBondContact O-N 3.35Å; R430-M628 VanDerWaalsContact NH2-CB 3.32Å; R430-L632 HydrophobicContact CB-CD2 3.49Å; R430-L632 VanDerWaalsContact CB-CD2 3.49Å; R430-L632 HydrophobicContact CG-CD1 3.99Å; R430-L632 HydrophobicContact CG-CD2 3.54Å; R430-L632 HydrophobicContact CG-CG 4.42Å |
| 431 | Y | 81.3 | Confident | 68.1 | Low | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | 4.2 | -178.1 | -54.6 | -87 | 0 | 0 | 0 | 113.9 | L427 L428 P557 G562 V565 I615 Q618 E620 L632 | L427-Y431 HydrophobicContact CD1-CE2 4Å; L427-Y431 VanDerWaalsContact O-CD2 3.31Å; L427-Y431 WeakPolarHBondContact O-CD2 3.32Å; L428-Y431 PolarHBondContact O-N 2.82Å; L428-Y431 VanDerWaalsContact O-N 3.11Å; Y431-P557 WeakPolarHBondContact O-CB 3.35Å; Y431-G562 WeakPolarHBondContact O-CA 3.33Å; Y431-V565 HydrophobicContact CD1-CG2 4.26Å; Y431-V565 HydrophobicContact CD2-CG1 3.76Å; Y431-V565 HydrophobicContact CD2-CG2 4.17Å; Y431-V565 HydrophobicContact CG-CB 4.42Å; Y431-V565 HydrophobicContact CG-CG1 4.13Å; Y431-V565 HydrophobicContact CG-CG2 3.77Å; Y431-I615 HydrophobicContact CD2-CG2 4.38Å; Y431-I615 HydrophobicContact CE2-CG2 3.64Å; Y431-Q618 HydrophobicContact CD1-CB 3.8Å; Y431-Q618 HydrophobicContact CE1-CB 4.2Å; Y431-Q618 VanDerWaalsContact CE1-O 3.29Å; Y431-Q618 WeakPolarHBondContact CE1-O 3.4Å; Y431-E620 HydrophobicContact CD1-CG 4.1Å; Y431-E620 HydrophobicContact CE1-CB 4.45Å; Y431-E620 HydrophobicContact CE1-CG 3.45Å; Y431-E620 VanDerWaalsContact CE1-CG 3.45Å; Y431-L632 HydrophobicContact CE2-CD2 3.84Å |
| 432 | Q | 74.6 | Confident | 65.7 | Low | 39 Ų | 39 | 34.3 Ų | 34.3 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -72.3 | 147.4 | 168.7 | -85.1 | -179.5 | -12.5 | 0 | 0 | 112 | L428 P557 N621 | L428-Q432 PolarHBondContact O-N 3.24Å; Q432-P557 VanDerWaalsContact O-CG 3.28Å; Q432-P557 WeakPolarHBondContact O-CG 3.49Å; Q432-N621 PolarHBondContact O-ND2 3.15Å |
| 433 | P | 66.6 | Low | 63.4 | Low | 11 Ų | 11 | 39.1 Ų | 39.1 | 7% | 0.071 | 21% | 0.211 | C | C | . | . | trans | -67.8 | 162.3 | -176.9 | 30.4 | -36.7 | 0 | 0 | 0 | 113.3 | S435 | P433-S435 VanDerWaalsContact C-N 3.33Å; P433-S435 PolarHBondContact O-N 3.04Å | ||
| 434 | E | 56 | Low | 61 | Low | 46 Ų | 46 | 41.2 Ų | 41.2 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -75.6 | -21.4 | -175.4 | -151.7 | 158.9 | -151.6 | 0 | 0 | 112.9 | D436 I437 D438 R556 | E434-D436 PolarHBondContact O-N 3.06Å; E434-I437 CarbonylContact O-C 3.56Å; E434-I437 PolarHBondContact O-N 2.77Å; E434-D438 WeakPolarHBondContact O-CB 3.49Å; E434-D438 PolarHBondContact O-N 3.24Å; E434-R556 IonicContact OE2-CZ 2.64Å; E434-R556 IonicContact OE2-NH1 2.74Å; E434-R556 PolarHBondContact OE2-NH1 3.26Å |
| 435 | S | 48.2 | Very low | 58.6 | Low | 87 Ų | 87 | 44.2 Ų | 44.2 | 61% | 0.608 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -55.3 | -34.8 | 178.4 | 49.7 | 0 | 0 | 0 | 0 | 114 | P433 I437 | P433-S435 VanDerWaalsContact C-N 3.33Å; P433-S435 PolarHBondContact O-N 3.04Å; S435-I437 PolarHBondContact O-N 2.72Å |
| 436 | D | 47.9 | Very low | 56.5 | Low | 101 Ų | 101 | 48.6 Ų | 48.6 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -87 | 3.3 | -173.6 | -45.6 | -15.4 | 0 | 0 | 0 | 110.8 | E434 | E434-D436 PolarHBondContact O-N 3.06Š|
| 437 | I | 47.5 | Very low | 54.2 | Low | 28 Ų | 28 | 51.9 Ų | 51.9 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | -22.3 | -169.1 | -52.4 | 179.4 | 0 | 0 | 0 | 111.8 | E434 S435 G439 F440 V441 K623 | E434-I437 CarbonylContact O-C 3.56Å; E434-I437 PolarHBondContact O-N 2.77Å; S435-I437 PolarHBondContact O-N 2.72Å; I437-G439 PolarHBondContact O-N 3.45Å; I437-F440 HydrophobicContact CG2-CD1 4.46Å; I437-F440 WeakPolarHBondContact O-CB 3.38Å; I437-F440 PolarHBondContact O-N 3.21Å; I437-V441 HydrophobicContact CG2-CG2 4.28Å; I437-V441 WeakPolarHBondContact O-CG2 3.25Å; I437-V441 PolarHBondContact O-N 3.23Å; I437-K623 HydrophobicContact CG2-CD 4.2Å; I437-K623 VanDerWaalsContact CG2-NZ 3.31Å |
| 438 | D | 36.4 | Very low | 51.8 | Low | 81 Ų | 81 | 58.5 Ų | 58.5 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.7 | -35.4 | -171 | -116.1 | -19.1 | 0 | 0 | 0 | 114.1 | E434 V441 K442 | E434-D438 WeakPolarHBondContact O-CB 3.49Å; E434-D438 PolarHBondContact O-N 3.24Å; D438-V441 PolarHBondContact O-N 3.48Å; D438-K442 PolarHBondContact O-N 3.08Å |
| 439 | G | 42.6 | Very low | 49.6 | Very low | 38 Ų | 38 | 61.2 Ų | 61.2 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.5 | -51 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | I437 V441 K442 F443 | I437-G439 PolarHBondContact O-N 3.45Å; G439-V441 VanDerWaalsContact C-N 3.28Å; G439-V441 PolarHBondContact O-N 3.27Å; G439-K442 PolarHBondContact O-N 3.31Å; G439-F443 PolarHBondContact O-N 2.92Å |
| 440 | F | 42.2 | Very low | 47.8 | Very low | 34 Ų | 34 | 66.7 Ų | 66.7 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.1 | -36.6 | 173 | 170 | -129 | 0 | 0 | 0 | 113.8 | V32 E33 L36 I437 L444 | V32-F440 HydrophobicContact CB-CB 4.06Å; V32-F440 HydrophobicContact CB-CD2 4.5Å; V32-F440 HydrophobicContact CB-CG 4.43Å; V32-F440 HydrophobicContact CG1-CB 3.75Å; V32-F440 HydrophobicContact CG1-CD1 4.33Å; V32-F440 HydrophobicContact CG1-CD2 3.36Å; V32-F440 HydrophobicContact CG1-CE2 3.92Å; V32-F440 HydrophobicContact CG1-CG 3.59Å; V32-F440 HydrophobicContact CG2-CB 4.44Å; E33-F440 PolarHBondContact OE1-N 2.98Å; L36-F440 HydrophobicContact CD1-CD2 4.39Å; I437-F440 HydrophobicContact CG2-CD1 4.46Å; I437-F440 WeakPolarHBondContact O-CB 3.38Å; I437-F440 PolarHBondContact O-N 3.21Å; F440-L444 HydrophobicContact CD2-CD1 3.95Å; F440-L444 HydrophobicContact CD2-CG 4.47Å; F440-L444 HydrophobicContact CE2-CD1 3.61Å; F440-L444 HydrophobicContact CE2-CG 4.39Å; F440-L444 HydrophobicContact CZ-CD1 3.93Å; F440-L444 WeakPolarHBondContact O-CD1 3.24Å; F440-L444 WeakPolarHBondContact O-CG 3.43Å; F440-L444 PolarHBondContact O-N 2.71Å |
| 441 | V | 41.7 | Very low | 45.8 | Very low | 55 Ų | 55 | 73 Ų | 73 | 33% | 0.333 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -79.5 | -44.2 | -178.4 | 177.6 | 0 | 0 | 0 | 0 | 112.5 | I437 D438 G439 F443 L444 S445 K623 | I437-V441 HydrophobicContact CG2-CG2 4.28Å; I437-V441 WeakPolarHBondContact O-CG2 3.25Å; I437-V441 PolarHBondContact O-N 3.23Å; D438-V441 PolarHBondContact O-N 3.48Å; G439-V441 VanDerWaalsContact C-N 3.28Å; G439-V441 PolarHBondContact O-N 3.27Å; V441-F443 VanDerWaalsContact C-N 3.33Å; V441-F443 PolarHBondContact O-N 3.37Å; V441-L444 PolarHBondContact O-N 3Å; V441-S445 PolarHBondContact O-N 2.87Å; V441-K623 HydrophobicContact CG2-CD 4.24Å |
| 442 | K | 36.2 | Very low | 43.6 | Very low | 150 Ų | 150 | 81 Ų | 81 | 65% | 0.652 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -57.6 | -47.8 | 177.3 | -95.3 | -179.7 | 172.4 | 175.5 | 0 | 111.5 | D438 G439 L444 S445 E446 | D438-K442 PolarHBondContact O-N 3.08Å; G439-K442 PolarHBondContact O-N 3.31Å; K442-L444 PolarHBondContact O-N 3.27Å; K442-S445 WeakPolarHBondContact O-CB 3.48Å; K442-S445 PolarHBondContact O-N 2.89Å; K442-S445 VanDerWaalsContact O-N 3.17Å; K442-E446 PolarHBondContact O-N 3.41Å; K442-E446 VanDerWaalsContact O-N 3.07Å |
| 443 | F | 39.8 | Very low | 41.8 | Very low | 101 Ų | 101 | 84.6 Ų | 84.6 | 44% | 0.443 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | -178.6 | -172.2 | -89.3 | 0 | 0 | 0 | 112.9 | L36 G439 V441 S445 E446 E447 | L36-F443 HydrophobicContact CB-CE1 4.41Å; L36-F443 HydrophobicContact CD1-CD1 3.77Å; L36-F443 HydrophobicContact CD1-CE1 4.18Å; G439-F443 PolarHBondContact O-N 2.92Å; V441-F443 VanDerWaalsContact C-N 3.33Å; V441-F443 PolarHBondContact O-N 3.37Å; F443-S445 VanDerWaalsContact C-N 3.31Å; F443-S445 PolarHBondContact O-N 3.12Å; F443-E446 PolarHBondContact O-N 3.15Å; F443-E447 PolarHBondContact O-N 2.87Å |
| 444 | L | 38.6 | Very low | 40.5 | Very low | 46 Ų | 46 | 85.7 Ų | 85.7 | 24% | 0.241 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 176.8 | -74.3 | 172.1 | 0 | 0 | 0 | 112.8 | F440 V441 K442 H448 | F440-L444 HydrophobicContact CD2-CD1 3.95Å; F440-L444 HydrophobicContact CD2-CG 4.47Å; F440-L444 HydrophobicContact CE2-CD1 3.61Å; F440-L444 HydrophobicContact CE2-CG 4.39Å; F440-L444 HydrophobicContact CZ-CD1 3.93Å; F440-L444 WeakPolarHBondContact O-CD1 3.24Å; F440-L444 WeakPolarHBondContact O-CG 3.43Å; F440-L444 PolarHBondContact O-N 2.71Å; V441-L444 PolarHBondContact O-N 3Å; K442-L444 PolarHBondContact O-N 3.27Å; L444-H448 PolarHBondContact O-CD2 3.06Å; L444-H448 PolarHBondContact O-N 3.37Å |
| 445 | S | 36.9 | Very low | 40 | Very low | 77 Ų | 77 | 88.7 Ų | 88.7 | 54% | 0.538 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 174.8 | -160.3 | 0 | 0 | 0 | 0 | 111.8 | V441 K442 F443 H448 T449 | V441-S445 PolarHBondContact O-N 2.87Å; K442-S445 WeakPolarHBondContact O-CB 3.48Å; K442-S445 PolarHBondContact O-N 2.89Å; K442-S445 VanDerWaalsContact O-N 3.17Å; F443-S445 VanDerWaalsContact C-N 3.31Å; F443-S445 PolarHBondContact O-N 3.12Å; S445-H448 PolarHBondContact O-N 2.92Å; S445-T449 PolarHBondContact O-N 3.27Å; S445-T449 VanDerWaalsContact O-N 3.14Å; S445-T449 PolarHBondContact O-OG1 2.8Å |
| 446 | E | 38.3 | Very low | 39.5 | Very low | 94 Ų | 94 | 90.1 Ų | 90.1 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.3 | -36.8 | 174.3 | -70.9 | -175.2 | -158.9 | 0 | 0 | 113 | K442 F443 H448 T449 K450 | K442-E446 PolarHBondContact O-N 3.41Å; K442-E446 VanDerWaalsContact O-N 3.07Å; F443-E446 PolarHBondContact O-N 3.15Å; E446-H448 VanDerWaalsContact C-N 3.35Å; E446-H448 PolarHBondContact O-N 2.99Å; E446-T449 PolarHBondContact O-N 3.17Å; E446-T449 VanDerWaalsContact O-N 3.09Å; E446-K450 PolarHBondContact O-N 2.87Å; E446-K450 IonicContact OE2-NZ 3.01Å; E446-K450 PolarHBondContact OE2-NZ 3.27Å |
| 447 | E | 37.1 | Very low | 39.1 | Very low | 69 Ų | 69 | 87.2 Ų | 87.2 | 32% | 0.322 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 174.7 | -171 | -166.1 | -162.4 | 0 | 0 | 110.7 | K114 F443 T449 K451 | K114-E447 IonicContact NZ-OE1 3.49Å; K114-E447 PolarHBondContact NZ-OE1 3.41Å; K114-E447 IonicContact NZ-OE2 2.7Å; K114-E447 PolarHBondContact NZ-OE2 3.01Å; F443-E447 PolarHBondContact O-N 2.87Å; E447-T449 VanDerWaalsContact C-N 3.26Å; E447-T449 PolarHBondContact O-N 3.49Å; E447-K451 VanDerWaalsContact O-CB 3.23Å; E447-K451 WeakPolarHBondContact O-CB 3.34Å; E447-K451 PolarHBondContact O-N 2.92Å |
| 448 | H | 35.5 | Very low | 38.8 | Very low | 139 Ų | 139 | 90.2 Ų | 90.2 | 64% | 0.644 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.2 | -30.3 | 174 | -90 | -73.6 | 0 | 0 | 0 | 113.3 | L444 S445 E446 K452 | L444-H448 PolarHBondContact O-CD2 3.06Å; L444-H448 PolarHBondContact O-N 3.37Å; S445-H448 PolarHBondContact O-N 2.92Å; E446-H448 VanDerWaalsContact C-N 3.35Å; E446-H448 PolarHBondContact O-N 2.99Å; H448-K452 PolarHBondContact O-N 3.31Å |
| 449 | T | 38 | Very low | 38.8 | Very low | 67 Ų | 67 | 90 Ų | 90 | 41% | 0.411 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.9 | -53 | 179.6 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | S445 E446 E447 K451 K452 E453 | S445-T449 PolarHBondContact O-N 3.27Å; S445-T449 VanDerWaalsContact O-N 3.14Å; S445-T449 PolarHBondContact O-OG1 2.8Å; E446-T449 PolarHBondContact O-N 3.17Å; E446-T449 VanDerWaalsContact O-N 3.09Å; E447-T449 VanDerWaalsContact C-N 3.26Å; E447-T449 PolarHBondContact O-N 3.49Å; T449-K451 VanDerWaalsContact C-N 3.25Å; T449-K451 PolarHBondContact O-N 3.22Å; T449-K452 WeakPolarHBondContact O-CA 3.45Å; T449-K452 VanDerWaalsContact O-CB 3.3Å; T449-K452 WeakPolarHBondContact O-CB 3.42Å; T449-K452 PolarHBondContact O-N 3.34Å; T449-E453 PolarHBondContact O-N 3.21Å |
| 450 | K | 38.3 | Very low | 38.6 | Very low | 123 Ų | 123 | 94.5 Ų | 94.5 | 54% | 0.535 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.2 | -36.4 | 175 | -72.3 | 166.5 | 179.5 | 154.9 | 0 | 112.3 | E446 E453 G454 | E446-K450 PolarHBondContact O-N 2.87Å; E446-K450 IonicContact OE2-NZ 3.01Å; E446-K450 PolarHBondContact OE2-NZ 3.27Å; K450-E453 PolarHBondContact O-N 3.14Å; K450-G454 PolarHBondContact O-N 2.96Å |
| 451 | K | 37.3 | Very low | 38.4 | Very low | 148 Ų | 148 | 99.3 Ų | 99.3 | 64% | 0.643 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.7 | -28.1 | 175.7 | -165.1 | 170 | -173.5 | 176 | 0 | 113.1 | E447 T449 I455 | E447-K451 VanDerWaalsContact O-CB 3.23Å; E447-K451 WeakPolarHBondContact O-CB 3.34Å; E447-K451 PolarHBondContact O-N 2.92Å; T449-K451 VanDerWaalsContact C-N 3.25Å; T449-K451 PolarHBondContact O-N 3.22Å; K451-I455 HydrophobicContact CG-CD1 4.5Å; K451-I455 WeakPolarHBondContact O-CD1 3.47Å; K451-I455 VanDerWaalsContact O-CG1 3.28Å; K451-I455 WeakPolarHBondContact O-CG1 3.24Å; K451-I455 PolarHBondContact O-N 3.37Å |
| 452 | K | 36.3 | Very low | 38.1 | Very low | 166 Ų | 166 | 104.5 Ų | 104.5 | 72% | 0.722 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.3 | -45.4 | 170.6 | -112.4 | -178 | 175.6 | -176.8 | 0 | 111.5 | H448 T449 I455 L456 | H448-K452 PolarHBondContact O-N 3.31Å; T449-K452 WeakPolarHBondContact O-CA 3.45Å; T449-K452 VanDerWaalsContact O-CB 3.3Å; T449-K452 WeakPolarHBondContact O-CB 3.42Å; T449-K452 PolarHBondContact O-N 3.34Å; K452-I455 PolarHBondContact O-N 3.08Å; K452-L456 PolarHBondContact O-N 2.88Å |
| 453 | E | 37.4 | Very low | 37.9 | Very low | 115 Ų | 115 | 101.2 Ų | 101.2 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 179.4 | -68.4 | 169 | 157.5 | 0 | 0 | 111.7 | T449 K450 L456 A457 | T449-E453 PolarHBondContact O-N 3.21Å; K450-E453 PolarHBondContact O-N 3.14Å; E453-L456 PolarHBondContact O-N 3.33Å; E453-A457 WeakPolarHBondContact O-CB 3.46Å; E453-A457 PolarHBondContact O-N 3.41Å |
| 454 | G | 38.4 | Very low | 37.5 | Very low | 35 Ų | 35 | 101.5 Ų | 101.5 | 36% | 0.361 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K450 L456 A457 D458 | K450-G454 PolarHBondContact O-N 2.96Å; G454-L456 VanDerWaalsContact C-N 3.32Å; G454-L456 PolarHBondContact O-N 3.22Å; G454-A457 PolarHBondContact O-N 3.46Å; G454-D458 PolarHBondContact O-N 2.95Å |
| 455 | I | 44.6 | Very low | 37 | Very low | 109 Ų | 109 | 103.5 Ų | 103.5 | 56% | 0.559 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.4 | -38.6 | 176.5 | -68.3 | 168.6 | 0 | 0 | 0 | 111 | K451 K452 D458 C459 | K451-I455 HydrophobicContact CG-CD1 4.5Å; K451-I455 WeakPolarHBondContact O-CD1 3.47Å; K451-I455 VanDerWaalsContact O-CG1 3.28Å; K451-I455 WeakPolarHBondContact O-CG1 3.24Å; K451-I455 PolarHBondContact O-N 3.37Å; K452-I455 PolarHBondContact O-N 3.08Å; I455-D458 PolarHBondContact O-N 3.01Å; I455-C459 PolarHBondContact O-N 3.35Å; I455-C459 VanDerWaalsContact O-N 3.15Å; I455-C459 PolarHBondContact O-SG 3.13Å |
| 456 | L | 37.7 | Very low | 36.7 | Very low | 117 Ų | 117 | 106.1 Ų | 106.1 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.3 | -44.5 | 176.3 | -152.4 | 76.8 | 0 | 0 | 0 | 111.5 | K452 E453 G454 D458 C459 E460 | K452-L456 PolarHBondContact O-N 2.88Å; E453-L456 PolarHBondContact O-N 3.33Å; G454-L456 VanDerWaalsContact C-N 3.32Å; G454-L456 PolarHBondContact O-N 3.22Å; L456-D458 VanDerWaalsContact C-N 3.3Å; L456-D458 PolarHBondContact O-N 3.21Å; L456-C459 PolarHBondContact O-N 2.9Å; L456-E460 PolarHBondContact O-N 3.22Å |
| 457 | A | 40.8 | Very low | 36.2 | Very low | 39 Ų | 39 | 108.2 Ų | 108.2 | 32% | 0.322 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.3 | -22.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E453 G454 K461 | E453-A457 WeakPolarHBondContact O-CB 3.46Å; E453-A457 PolarHBondContact O-N 3.41Å; G454-A457 PolarHBondContact O-N 3.46Å; A457-K461 WeakPolarHBondContact O-CD 3.33Å; A457-K461 WeakPolarHBondContact O-CE 3.4Å; A457-K461 WeakPolarHBondContact O-CG 3.2Å |
| 458 | D | 40.2 | Very low | 35.7 | Very low | 91 Ų | 91 | 110 Ų | 110 | 49% | 0.487 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -82.1 | -36.8 | 170.6 | -73.6 | -24.7 | 0 | 0 | 0 | 111.8 | G454 I455 L456 E460 K461 E462 | G454-D458 PolarHBondContact O-N 2.95Å; I455-D458 PolarHBondContact O-N 3.01Å; L456-D458 VanDerWaalsContact C-N 3.3Å; L456-D458 PolarHBondContact O-N 3.21Å; D458-E460 VanDerWaalsContact C-N 3.31Å; D458-E460 PolarHBondContact O-N 3.48Å; D458-K461 PolarHBondContact O-N 3.24Å; D458-K461 VanDerWaalsContact O-N 3.12Å; D458-K461 IonicContact OD1-NZ 2.66Å; D458-K461 PolarHBondContact OD1-NZ 3.5Å; D458-E462 PolarHBondContact O-N 3.41Å |
| 459 | C | 36.4 | Very low | 35.3 | Very low | 77 Ų | 77 | 112.6 Ų | 112.6 | 52% | 0.52 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -61.2 | -36.2 | 169.3 | -70.9 | 0 | 0 | 0 | 0 | 112.9 | I455 L456 K461 E462 A463 | I455-C459 PolarHBondContact O-N 3.35Å; I455-C459 VanDerWaalsContact O-N 3.15Å; I455-C459 PolarHBondContact O-SG 3.13Å; L456-C459 PolarHBondContact O-N 2.9Å; C459-K461 VanDerWaalsContact C-N 3.28Å; C459-K461 PolarHBondContact O-N 3.15Å; C459-E462 PolarHBondContact O-N 3.05Å; C459-A463 PolarHBondContact O-N 2.87Å |
| 460 | E | 40.1 | Very low | 34.6 | Very low | 133 Ų | 133 | 112.8 Ų | 112.8 | 62% | 0.621 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.3 | -25.8 | 174.6 | -73.7 | -173.2 | 140.4 | 0 | 0 | 113.3 | L456 D458 | L456-E460 PolarHBondContact O-N 3.22Å; D458-E460 VanDerWaalsContact C-N 3.31Å; D458-E460 PolarHBondContact O-N 3.48Å |
| 461 | K | 37.8 | Very low | 34 | Very low | 134 Ų | 134 | 114.4 Ų | 114.4 | 58% | 0.583 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.1 | -40.2 | 175.1 | -68.5 | 164.4 | -158.5 | 156 | 0 | 112.1 | A457 D458 C459 A463 C464 | A457-K461 WeakPolarHBondContact O-CD 3.33Å; A457-K461 WeakPolarHBondContact O-CE 3.4Å; A457-K461 WeakPolarHBondContact O-CG 3.2Å; D458-K461 PolarHBondContact O-N 3.24Å; D458-K461 VanDerWaalsContact O-N 3.12Å; D458-K461 IonicContact OD1-NZ 2.66Å; D458-K461 PolarHBondContact OD1-NZ 3.5Å; C459-K461 VanDerWaalsContact C-N 3.28Å; C459-K461 PolarHBondContact O-N 3.15Å; K461-A463 PolarHBondContact O-N 2.89Å; K461-C464 PolarHBondContact O-N 2.65Å; K461-C464 VanDerWaalsContact O-N 3.1Å |
| 462 | E | 34 | Very low | 33.4 | Very low | 165 Ų | 165 | 115.8 Ų | 115.8 | 77% | 0.771 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.2 | -29.2 | 175.1 | -67.3 | -166.5 | 146.9 | 0 | 0 | 112.1 | D458 C459 C464 | D458-E462 PolarHBondContact O-N 3.41Å; C459-E462 PolarHBondContact O-N 3.05Å; E462-C464 VanDerWaalsContact C-N 3.25Å; E462-C464 PolarHBondContact O-N 3.25Å |
| 463 | A | 32.3 | Very low | 32.8 | Very low | 81 Ų | 81 | 116.7 Ų | 116.7 | 67% | 0.669 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -10.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C459 K461 | C459-A463 PolarHBondContact O-N 2.87Å; K461-A463 PolarHBondContact O-N 2.89Å |
| 464 | C | 31.2 | Very low | 32.1 | Very low | 106 Ų | 106 | 116 Ų | 116 | 72% | 0.716 | 67% | 0.671 | S | S | * | * | trans | -120.4 | 63.4 | -171.8 | -73.7 | 0 | 0 | 0 | 0 | 113.4 | K461 E462 | K461-C464 PolarHBondContact O-N 2.65Å; K461-C464 VanDerWaalsContact O-N 3.1Å; E462-C464 VanDerWaalsContact C-N 3.25Å; E462-C464 PolarHBondContact O-N 3.25Å | ||
| 465 | S | 27.8 | Very low | 31.3 | Very low | 88 Ų | 88 | 117.6 Ų | 117.6 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | trans | -121.8 | 134.8 | 166.5 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 466 | P | 32.3 | Very low | 31.2 | Very low | 133 Ų | 133 | 118.7 Ų | 118.7 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | trans | -83.7 | 129.6 | -175.2 | 31.8 | -33.5 | 0 | 0 | 0 | 112 | ||||
| 467 | V | 27.5 | Very low | 30.6 | Very low | 137 Ų | 137 | 117.2 Ų | 117.2 | 83% | 0.83 | 71% | 0.707 | S | S | * | * | trans | -115.6 | 142.6 | 170.8 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 468 | S | 25.6 | Very low | 29.9 | Very low | 108 Ų | 108 | 121.1 Ų | 121.1 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | trans | -88.4 | 167.8 | -171.3 | -157.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 469 | E | 26.9 | Very low | 29.4 | Very low | 192 Ų | 192 | 123.3 Ų | 123.3 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | -56.1 | 153.6 | -174.7 | -57.3 | 162.6 | 126.1 | 0 | 0 | 116 | ||||
| 470 | G | 24.8 | Very low | 29 | Very low | 71 Ų | 71 | 125.6 Ų | 125.6 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | 170.8 | 85.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 471 | D | 25.1 | Very low | 28.3 | Very low | 157 Ų | 157 | 125.1 Ų | 125.1 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | 49.7 | 120.9 | 145.5 | -54.8 | -20 | 0 | 0 | 0 | 125.5 | ||||
| 472 | E | 24.2 | Very low | 27.7 | Very low | 178 Ų | 178 | 122.5 Ų | 122.5 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | 56.4 | 115 | 129.4 | -68.4 | -150.8 | 128.2 | 0 | 0 | 126.2 | |||||
| 473 | F | 24.4 | Very low | 27.4 | Very low | 184 Ų | 184 | 119.2 Ų | 119.2 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | 95.5 | 135.4 | 120.2 | -152.8 | -99.8 | 0 | 0 | 0 | 123.2 | |||||
| 474 | S | 23.1 | Very low | 27.1 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 66.5 | 128.3 | 164.3 | 60.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 475 | G | 20.8 | Very low | 27 | Very low | 70 Ų | 70 | 126.3 Ų | 126.3 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -110.9 | -144.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 476 | P | 42.1 | Very low | 27 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | cis | -134.8 | 178.5 | -6.3 | 43.1 | -28.2 | 0 | 0 | 0 | 114.1 | ||||
| 477 | A | 24.7 | Very low | 27.4 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -166.9 | 115.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 478 | T | 27.9 | Very low | 27.3 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | 34 | 139.5 | 131.7 | 58.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 479 | N | 28.2 | Very low | 27.4 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | cis | -162.4 | 170 | 23 | -102.5 | -23.8 | 0 | 0 | 0 | 109.1 | ||||
| 480 | T | 28.1 | Very low | 27.4 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | cis | -154.4 | 166.5 | 17.4 | -14.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 481 | C | 26.8 | Very low | 27.4 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -66.2 | 172.3 | 176 | -49.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 482 | G | 25.1 | Very low | 27.5 | Very low | 78 Ų | 78 | 129 Ų | 129 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | cis | 118.3 | 116.9 | -7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 483 | A | 26.2 | Very low | 27.7 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | -165 | 142.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 484 | K | 26.7 | Very low | 27.9 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | cis | 78.9 | 126.9 | 40.1 | -72.4 | -171.6 | 177 | -178.6 | 0 | 113.3 | ||||
| 485 | N | 28.3 | Very low | 28.2 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | cis | -145.7 | 173 | 12.1 | -68.1 | -61.7 | 0 | 0 | 0 | 114.2 | ||||
| 486 | L | 27.5 | Very low | 28.7 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -82.8 | -173 | 160.4 | -116.3 | 71.5 | 0 | 0 | 0 | 111.1 | ||||
| 487 | P | 41.7 | Very low | 27.9 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | -136.3 | -173.4 | -7.8 | 40.1 | -21.8 | 0 | 0 | 0 | 115.2 | ||||
| 488 | S | 24.6 | Very low | 27.9 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | 144.1 | 177.5 | 130.2 | 67.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 489 | L | 28.4 | Very low | 27.9 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | trans | -127.6 | 142.5 | -156.9 | -168.6 | 80.2 | 0 | 0 | 0 | 111.2 | ||||
| 490 | G | 26.2 | Very low | 27.7 | Very low | 69 Ų | 69 | 137.8 Ų | 137.8 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 178 | 140.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 491 | D | 25.2 | Very low | 27.6 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -86.7 | 162.2 | -167 | -50.1 | -63 | 0 | 0 | 0 | 115.1 | ||||
| 492 | N | 27.1 | Very low | 27.4 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | 36 | 124.5 | 149.6 | -52.4 | -31.2 | 0 | 0 | 0 | 118.8 | ||||
| 493 | E | 27.8 | Very low | 27.4 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | -157.9 | 167.2 | 52.1 | -75.4 | -169.4 | 128 | 0 | 0 | 114 | |||||
| 494 | M | 30.2 | Very low | 27.3 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | 31.4 | 115.2 | 150.3 | -67 | -176.9 | -83.1 | 0 | 0 | 120.5 | ||||
| 495 | L | 29.1 | Very low | 27.2 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | -175.6 | 129 | 114.1 | -98.3 | 166.7 | 0 | 0 | 0 | 112.9 | |||||
| 496 | I | 29.9 | Very low | 27.1 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | 28.7 | 100.6 | 155.6 | -53 | 171.1 | 0 | 0 | 0 | 116.9 | ||||
| 497 | G | 25.6 | Very low | 27 | Very low | 76 Ų | 76 | 144.9 Ų | 144.9 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -76.1 | 147 | -180 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 498 | K | 26.2 | Very low | 26.2 | Very low | 209 Ų | 209 | 148.3 Ų | 148.3 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -115.5 | 137.8 | 148.3 | -77.5 | -179.3 | 174 | 179.3 | 0 | 107.5 | ||||
| 499 | S | 26.5 | Very low | 26.8 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -102.4 | 116.7 | 175.1 | 42.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 500 | D | 24.5 | Very low | 26.8 | Very low | 161 Ų | 161 | 146 Ų | 146 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -70.9 | 133.9 | 167 | -72 | -47.3 | 0 | 0 | 0 | 109.9 | S502 | D500-S502 PolarHBondContact O-N 2.64Å; D500-S502 VanDerWaalsContact O-N 3.16Å | ||
| 501 | K | 25.4 | Very low | 26.8 | Very low | 205 Ų | 205 | 153.2 Ų | 153.2 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -75 | 102.7 | 179.9 | -77.1 | -175.6 | 174.5 | -178.5 | 0 | 110.8 | ||||
| 502 | S | 22.8 | Very low | 27.1 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -113.7 | 103.9 | 155.1 | 53.5 | 0 | 0 | 0 | 0 | 109.4 | D500 | D500-S502 PolarHBondContact O-N 2.64Å; D500-S502 VanDerWaalsContact O-N 3.16Å | ||
| 503 | T | 25.3 | Very low | 27.1 | Very low | 110 Ų | 110 | 149 Ų | 149 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | trans | -109.6 | 111.1 | -177.4 | -55.6 | 0 | 0 | 0 | 0 | 110.1 | N505 | T503-N505 PolarHBondContact O-N 2.95Š| ||
| 504 | Y | 24.6 | Very low | 27.3 | Very low | 220 Ų | 220 | 146.8 Ų | 146.8 | 86% | 0.863 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 121.8 | 161.9 | -78.8 | -102.1 | 0 | 0 | 0 | 108.6 | ||
| 505 | N | 24.2 | Very low | 27 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 123.3 | 169.7 | -95.5 | -7.5 | 0 | 0 | 0 | 110.1 | T503 | T503-N505 PolarHBondContact O-N 2.95Š|
| 506 | V | 26.1 | Very low | 27.1 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 124.1 | 168.3 | 177.4 | 0 | 0 | 0 | 0 | 107.7 | ||
| 507 | N | 26.5 | Very low | 26.9 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 126.9 | -179 | -71.5 | -23.1 | 0 | 0 | 0 | 111.3 | ||
| 508 | H | 24.4 | Very low | 27 | Very low | 179 Ų | 179 | 145 Ų | 145 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -150.4 | 130.2 | 155 | -135.9 | -80.9 | 0 | 0 | 0 | 110.8 | ||||
| 509 | P | 35.8 | Very low | 27.2 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | trans | -92.8 | 117.3 | -179.2 | 33.1 | -31.2 | 0 | 0 | 0 | 112 | ||||
| 510 | N | 29.8 | Very low | 27.5 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 168.1 | 158.1 | 138.2 | -89.9 | -34.6 | 0 | 0 | 0 | 111.3 | ||||
| 511 | Y | 26.6 | Very low | 27.7 | Very low | 219 Ų | 219 | 141.2 Ų | 141.2 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | 56.8 | 105.7 | -179.4 | -78.7 | -87.3 | 0 | 0 | 0 | 116.3 | T513 | Y511-T513 PolarHBondContact O-N 3.27Š| ||
| 512 | G | 29.9 | Very low | 28.2 | Very low | 80 Ų | 80 | 136 Ų | 136 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -72.1 | 91.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V514 | G512-V514 PolarHBondContact O-N 3.06Š| ||
| 513 | T | 27.3 | Very low | 28.8 | Very low | 131 Ų | 131 | 135 Ų | 135 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -66.7 | 117.5 | 164.1 | 48.7 | 0 | 0 | 0 | 0 | 109.3 | Y511 D515 | Y511-T513 PolarHBondContact O-N 3.27Å; T513-D515 PolarHBondContact O-N 2.77Å | ||
| 514 | V | 32.4 | Very low | 29.3 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -71.1 | 111.1 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | G512 M516 | G512-V514 PolarHBondContact O-N 3.06Å; V514-M516 PolarHBondContact O-N 2.94Å | ||
| 515 | D | 23.1 | Very low | 30.2 | Very low | 114 Ų | 114 | 132 Ų | 132 | 61% | 0.61 | 75% | 0.748 | S | S | * | * | trans | -69.8 | 112.4 | 173.6 | -165 | -28.2 | 0 | 0 | 0 | 109.3 | T513 T517 | T513-D515 PolarHBondContact O-N 2.77Å; D515-T517 PolarHBondContact O-N 3.5Å; D515-T517 WeakPolarHBondContact OD1-CG2 3.45Å; D515-T517 PolarHBondContact OD1-OG1 2.97Å | ||
| 516 | M | 31.6 | Very low | 31.3 | Very low | 185 Ų | 185 | 127.2 Ų | 127.2 | 91% | 0.911 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 29 | -165.6 | -150.5 | 177.2 | -165.7 | 0 | 0 | 112.9 | V514 | V514-M516 PolarHBondContact O-N 2.94Š|
| 517 | T | 27.4 | Very low | 32.6 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | -26.8 | -169.3 | 61.5 | 0 | 0 | 0 | 0 | 115 | D515 G519 | D515-T517 PolarHBondContact O-N 3.5Å; D515-T517 WeakPolarHBondContact OD1-CG2 3.45Å; D515-T517 PolarHBondContact OD1-OG1 2.97Å; T517-G519 PolarHBondContact O-N 2.99Å |
| 518 | T | 26.6 | Very low | 33.8 | Very low | 97 Ų | 97 | 123.3 Ų | 123.3 | 60% | 0.595 | 69% | 0.694 | S | S | * | * | trans | -85.3 | 70 | -177.9 | 48.7 | 0 | 0 | 0 | 0 | 113 | I520 | T518-I520 PolarHBondContact O-N 3.49Š| ||
| 519 | G | 29.9 | Very low | 35.2 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | trans | -66.9 | 121.7 | 167 | 0 | 0 | 0 | 0 | 0 | 111.8 | T517 | T517-G519 PolarHBondContact O-N 2.99Š| ||
| 520 | I | 33.9 | Very low | 36.3 | Very low | 174 Ų | 174 | 120.3 Ų | 120.3 | 89% | 0.892 | 67% | 0.668 | S | S | * | * | trans | 68.1 | 69.1 | 173.8 | -39 | 174.5 | 0 | 0 | 0 | 114.3 | T518 | T518-I520 PolarHBondContact O-N 3.49Š| ||
| 521 | E | 27.7 | Very low | 37.7 | Very low | 166 Ų | 166 | 117 Ų | 117 | 78% | 0.776 | 65% | 0.649 | S | S | * | * | trans | -103.4 | 144.6 | 147.3 | -68.7 | -168.6 | 153.9 | 0 | 0 | 109.8 | ||||
| 522 | A | 37.5 | Very low | 39.3 | Very low | 97 Ų | 97 | 113.4 Ų | 113.4 | 80% | 0.802 | 64% | 0.638 | S | S | * | * | trans | -93.2 | 104.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E524 | A522-E524 PolarHBondContact O-N 3.37Å; A522-E524 VanDerWaalsContact O-N 3.14Å | ||
| 523 | D | 33.8 | Very low | 40.9 | Very low | 87 Ų | 87 | 113.1 Ų | 113.1 | 47% | 0.465 | 62% | 0.617 | S | S | . | * | trans | -60 | 115.1 | 173.7 | -179.6 | -0.8 | 0 | 0 | 0 | 110 | S525 K624 | D523-S525 PolarHBondContact O-N 3.1Å; D523-S525 PolarHBondContact OD1-OG 3.02Å; D523-K624 IonicContact OD1-NZ 3.37Å; D523-K624 PolarHBondContact OD1-NZ 3.28Å; D523-K624 IonicContact OD2-NZ 2.66Å; D523-K624 PolarHBondContact OD2-NZ 3.07Å | ||
| 524 | E | 37.1 | Very low | 42.5 | Very low | 201 Ų | 201 | 108.6 Ų | 108.6 | 94% | 0.939 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 18.7 | -166.5 | -150.2 | 169.7 | -149 | 0 | 0 | 113.9 | A522 | A522-E524 PolarHBondContact O-N 3.37Å; A522-E524 VanDerWaalsContact O-N 3.14Å |
| 525 | S | 42.3 | Very low | 44 | Very low | 67 Ų | 67 | 112.1 Ų | 112.1 | 47% | 0.469 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -141.6 | 19.8 | -170.4 | 62.7 | 0 | 0 | 0 | 0 | 114.9 | D523 N527 K624 | D523-S525 PolarHBondContact O-N 3.1Å; D523-S525 PolarHBondContact OD1-OG 3.02Å; S525-N527 PolarHBondContact O-N 3.2Å; S525-K624 PolarHBondContact OG-NZ 2.79Å |
| 526 | E | 46.8 | Very low | 46.1 | Very low | 47 Ų | 47 | 113.7 Ų | 113.7 | 22% | 0.22 | 60% | 0.6 | C | S | . | * | trans | -65.1 | 131.6 | 168.3 | -70.3 | -157.2 | 152 | 0 | 0 | 111.4 | I528 I531 K534 K553 | E526-I528 PolarHBondContact O-N 3.33Å; E526-I531 HydrophobicContact CB-CD1 4.09Å; E526-I531 HydrophobicContact CB-CG1 3.82Å; E526-I531 WeakPolarHBondContact O-CD1 3.41Å; E526-K534 IonicContact OE1-NZ 3.77Å; E526-K534 PolarHBondContact OE1-NZ 3.19Å; E526-K534 WeakPolarHBondContact OE2-CE 3.35Å; E526-K534 IonicContact OE2-NZ 3.75Å; E526-K534 PolarHBondContact OE2-NZ 3.47Å; E526-K553 WeakPolarHBondContact OE1-CE 3.31Å; E526-K553 IonicContact OE1-NZ 3.38Å; E526-K553 PolarHBondContact OE1-NZ 2.89Å | ||
| 527 | N | 54.5 | Low | 47.8 | Very low | 80 Ų | 80 | 107.7 Ų | 107.7 | 43% | 0.428 | 57% | 0.571 | S | S | . | * | trans | -55.1 | 131.1 | -176.3 | -170.8 | -34.4 | 0 | 0 | 0 | 111 | S525 Y529 L530 I531 | S525-N527 PolarHBondContact O-N 3.2Å; N527-Y529 PolarHBondContact O-N 2.95Å; N527-Y529 PolarHBondContact OD1-N 3.34Å; N527-L530 HydrophobicContact CB-CB 4.31Å; N527-L530 WeakPolarHBondContact O-CA 3.41Å; N527-L530 VanDerWaalsContact O-CB 3.24Å; N527-L530 WeakPolarHBondContact O-CB 3.42Å; N527-L530 PolarHBondContact O-N 2.96Å; N527-I531 PolarHBondContact O-N 3.44Å | ||
| 528 | I | 52.2 | Low | 49.8 | Very low | 117 Ų | 117 | 103.8 Ų | 103.8 | 60% | 0.6 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -53.7 | -35.8 | -170.8 | -65.7 | 173.6 | 0 | 0 | 0 | 112.4 | E526 I531 K532 | E526-I528 PolarHBondContact O-N 3.33Å; I528-I531 PolarHBondContact O-N 3.45Å; I528-K532 PolarHBondContact O-N 3.49Å |
| 529 | Y | 53.6 | Low | 51.4 | Low | 158 Ų | 158 | 104.3 Ų | 104.3 | 62% | 0.62 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.7 | -36.5 | 175.9 | -63.4 | -86.8 | 0 | 0 | 0 | 112.4 | N527 K532 L533 | N527-Y529 PolarHBondContact O-N 2.95Å; N527-Y529 PolarHBondContact OD1-N 3.34Å; Y529-K532 PolarHBondContact O-N 3.31Å; Y529-L533 VanDerWaalsContact O-CB 3.27Å; Y529-L533 WeakPolarHBondContact O-CB 3.46Å; Y529-L533 PolarHBondContact O-N 3.32Å |
| 530 | L | 57.3 | Low | 53.1 | Low | 61 Ų | 61 | 107.6 Ų | 107.6 | 32% | 0.319 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.9 | -39.1 | 174.6 | -157.6 | 78.2 | 0 | 0 | 0 | 111.5 | N527 L533 K534 | N527-L530 HydrophobicContact CB-CB 4.31Å; N527-L530 WeakPolarHBondContact O-CA 3.41Å; N527-L530 VanDerWaalsContact O-CB 3.24Å; N527-L530 WeakPolarHBondContact O-CB 3.42Å; N527-L530 PolarHBondContact O-N 2.96Å; L530-L533 HydrophobicContact CD1-CD2 4.49Å; L530-L533 PolarHBondContact O-N 3.48Å; L530-K534 WeakPolarHBondContact O-CB 3.34Å; L530-K534 WeakPolarHBondContact O-CG 3.44Å; L530-K534 PolarHBondContact O-N 3.26Å |
| 531 | I | 60.7 | Low | 54.5 | Low | 84 Ų | 84 | 100.9 Ų | 100.9 | 43% | 0.431 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 172.7 | -62.5 | 177.4 | 0 | 0 | 0 | 110.1 | E526 N527 I528 L533 K534 K535 | E526-I531 HydrophobicContact CB-CD1 4.09Å; E526-I531 HydrophobicContact CB-CG1 3.82Å; E526-I531 WeakPolarHBondContact O-CD1 3.41Å; N527-I531 PolarHBondContact O-N 3.44Å; I528-I531 PolarHBondContact O-N 3.45Å; I531-L533 PolarHBondContact O-N 3.04Å; I531-K534 PolarHBondContact O-N 3.2Å; I531-K535 WeakPolarHBondContact O-CB 3.16Å; I531-K535 PolarHBondContact O-N 3.34Å |
| 532 | K | 60.1 | Low | 56.1 | Low | 144 Ų | 144 | 99 Ų | 99 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.2 | -43.4 | 174 | -77.3 | -175.9 | 177.2 | -179.3 | 0 | 112 | I528 Y529 K535 L536 | I528-K532 PolarHBondContact O-N 3.49Å; Y529-K532 PolarHBondContact O-N 3.31Å; K532-K535 CarbonylContact O-C 3.59Å; K532-K535 PolarHBondContact O-N 2.88Å; K532-L536 WeakPolarHBondContact O-CB 3.43Å; K532-L536 PolarHBondContact O-N 3.37Å |
| 533 | L | 62.1 | Low | 57.4 | Low | 74 Ų | 74 | 98 Ų | 98 | 39% | 0.387 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 179.8 | -171.8 | 67.6 | 0 | 0 | 0 | 112.1 | Y529 L530 I531 K535 L536 I537 Y541 | Y529-L533 VanDerWaalsContact O-CB 3.27Å; Y529-L533 WeakPolarHBondContact O-CB 3.46Å; Y529-L533 PolarHBondContact O-N 3.32Å; L530-L533 HydrophobicContact CD1-CD2 4.49Å; L530-L533 PolarHBondContact O-N 3.48Å; I531-L533 PolarHBondContact O-N 3.04Å; L533-K535 VanDerWaalsContact C-N 3.32Å; L533-K535 PolarHBondContact O-N 3.39Å; L533-L536 PolarHBondContact O-N 2.62Å; L533-I537 HydrophobicContact CD1-CD1 3.58Å; L533-I537 HydrophobicContact CD1-CG1 4.28Å; L533-I537 HydrophobicContact CG-CD1 3.92Å; L533-I537 WeakPolarHBondContact O-CG1 3.24Å; L533-I537 PolarHBondContact O-N 2.81Å; L533-Y541 HydrophobicContact CD2-CE2 4.2Å |
| 534 | K | 62 | Low | 58.8 | Low | 35 Ų | 35 | 97.7 Ų | 97.7 | 15% | 0.152 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 172.6 | -73.1 | 178.1 | 179.8 | -169.4 | 0 | 112.1 | E526 L530 I531 L536 G538 Y541 | E526-K534 IonicContact OE1-NZ 3.77Å; E526-K534 PolarHBondContact OE1-NZ 3.19Å; E526-K534 WeakPolarHBondContact OE2-CE 3.35Å; E526-K534 IonicContact OE2-NZ 3.75Å; E526-K534 PolarHBondContact OE2-NZ 3.47Å; L530-K534 WeakPolarHBondContact O-CB 3.34Å; L530-K534 WeakPolarHBondContact O-CG 3.44Å; L530-K534 PolarHBondContact O-N 3.26Å; I531-K534 PolarHBondContact O-N 3.2Å; K534-L536 VanDerWaalsContact C-N 3.32Å; K534-G538 WeakPolarHBondContact O-CA 3.47Å; K534-G538 PolarHBondContact O-N 3.12Å; K534-Y541 HydrophobicContact CD-CE1 4.33Å; K534-Y541 HydrophobicContact CG-CD1 3.92Å; K534-Y541 HydrophobicContact CG-CD2 3.92Å; K534-Y541 HydrophobicContact CG-CE1 3.92Å; K534-Y541 HydrophobicContact CG-CE2 3.9Å; K534-Y541 HydrophobicContact CG-CG 3.93Å |
| 535 | K | 64.1 | Low | 60.2 | Low | 187 Ų | 187 | 90.9 Ų | 90.9 | 81% | 0.813 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -71.4 | -25.3 | 177.5 | -165.2 | 168.9 | -176.1 | 173.9 | 0 | 113.1 | I531 K532 L533 | I531-K535 WeakPolarHBondContact O-CB 3.16Å; I531-K535 PolarHBondContact O-N 3.34Å; K532-K535 CarbonylContact O-C 3.59Å; K532-K535 PolarHBondContact O-N 2.88Å; L533-K535 VanDerWaalsContact C-N 3.32Å; L533-K535 PolarHBondContact O-N 3.39Å |
| 536 | L | 66.9 | Low | 61.2 | Low | 148 Ų | 148 | 94.1 Ų | 94.1 | 78% | 0.775 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -82.2 | -42.3 | 176.2 | -170 | 75 | 0 | 0 | 0 | 112.6 | K532 L533 K534 | K532-L536 WeakPolarHBondContact O-CB 3.43Å; K532-L536 PolarHBondContact O-N 3.37Å; L533-L536 PolarHBondContact O-N 2.62Å; K534-L536 VanDerWaalsContact C-N 3.32Å |
| 537 | I | 67.6 | Low | 62.3 | Low | 58 Ų | 58 | 102 Ų | 102 | 30% | 0.297 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -92.8 | -19.9 | -174.9 | -56.9 | 179.3 | 0 | 0 | 0 | 111.9 | L533 H540 | L533-I537 HydrophobicContact CD1-CD1 3.58Å; L533-I537 HydrophobicContact CD1-CG1 4.28Å; L533-I537 HydrophobicContact CG-CD1 3.92Å; L533-I537 WeakPolarHBondContact O-CG1 3.24Å; L533-I537 PolarHBondContact O-N 2.81Å; I537-H540 HydrophobicContact CG2-CB 3.97Å; I537-H540 PolarHBondContact O-N 2.92Å |
| 538 | G | 69.8 | Low | 63.1 | Low | 29 Ų | 29 | 101.3 Ų | 101.3 | 30% | 0.299 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | -142.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K534 H540 Y541 | K534-G538 WeakPolarHBondContact O-CA 3.47Å; K534-G538 PolarHBondContact O-N 3.12Å; G538-H540 PolarHBondContact O-N 3.13Å; G538-H540 VanDerWaalsContact O-N 3.13Å; G538-Y541 VanDerWaalsContact O-CB 3.25Å; G538-Y541 WeakPolarHBondContact O-CB 3.31Å; G538-Y541 PolarHBondContact O-N 3.44Å |
| 539 | P | 60.6 | Low | 63.7 | Low | 108 Ų | 108 | 97.8 Ų | 97.8 | 70% | 0.701 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -20.6 | -176.4 | 26.7 | -34.5 | 0 | 0 | 0 | 113.4 | Y541 | P539-Y541 PolarHBondContact O-N 3.25Š|
| 540 | H | 63.6 | Low | 64.7 | Low | 138 Ų | 138 | 92.8 Ų | 92.8 | 64% | 0.639 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.7 | -18.1 | 175.1 | -76.1 | 40.1 | 0 | 0 | 0 | 112.8 | I537 G538 Y542 T543 L544 | I537-H540 HydrophobicContact CG2-CB 3.97Å; I537-H540 PolarHBondContact O-N 2.92Å; G538-H540 PolarHBondContact O-N 3.13Å; G538-H540 VanDerWaalsContact O-N 3.13Å; H540-Y542 VanDerWaalsContact C-N 3.34Å; H540-Y542 PolarHBondContact O-N 2.93Å; H540-T543 PolarHBondContact O-N 3.49Å; H540-L544 WeakPolarHBondContact O-CB 3.42Å; H540-L544 PolarHBondContact O-N 3.05Å |
| 541 | Y | 64.4 | Low | 65.3 | Low | 32 Ų | 32 | 91.1 Ų | 91.1 | 13% | 0.125 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -57 | -45.4 | 179.4 | 174.6 | -91.1 | 0 | 0 | 0 | 112.2 | L533 K534 G538 P539 L544 R545 | L533-Y541 HydrophobicContact CD2-CE2 4.2Å; K534-Y541 HydrophobicContact CD-CE1 4.33Å; K534-Y541 HydrophobicContact CG-CD1 3.92Å; K534-Y541 HydrophobicContact CG-CD2 3.92Å; K534-Y541 HydrophobicContact CG-CE1 3.92Å; K534-Y541 HydrophobicContact CG-CE2 3.9Å; K534-Y541 HydrophobicContact CG-CG 3.93Å; G538-Y541 VanDerWaalsContact O-CB 3.25Å; G538-Y541 WeakPolarHBondContact O-CB 3.31Å; G538-Y541 PolarHBondContact O-N 3.44Å; P539-Y541 PolarHBondContact O-N 3.25Å; Y541-L544 PolarHBondContact O-N 3.44Å; Y541-R545 WeakPolarHBondContact O-CB 3.21Å; Y541-R545 PolarHBondContact O-N 3.24Å |
| 542 | Y | 60.6 | Low | 65.3 | Low | 126 Ų | 126 | 88.7 Ų | 88.7 | 49% | 0.494 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -72.2 | -41.4 | -178.6 | -64 | -75.1 | 0 | 0 | 0 | 111.7 | H540 L544 R545 I546 | H540-Y542 VanDerWaalsContact C-N 3.34Å; H540-Y542 PolarHBondContact O-N 2.93Å; Y542-L544 VanDerWaalsContact C-N 3.31Å; Y542-L544 PolarHBondContact O-N 3.38Å; Y542-R545 PolarHBondContact O-N 2.99Å; Y542-I546 WeakPolarHBondContact O-CG1 3.47Å; Y542-I546 PolarHBondContact O-N 3.46Å; Y542-I546 VanDerWaalsContact O-N 3.08Å |
| 543 | T | 65.5 | Low | 65.2 | Low | 77 Ų | 77 | 88.6 Ų | 88.6 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 173.8 | -46.1 | 0 | 0 | 0 | 0 | 112 | H540 R547 | H540-T543 PolarHBondContact O-N 3.49Å; T543-R547 WeakPolarHBondContact O-CB 3.4Å; T543-R547 WeakPolarHBondContact O-CG 3.27Å; T543-R547 PolarHBondContact O-N 3.27Å |
| 544 | L | 62.3 | Low | 64.9 | Low | 81 Ų | 81 | 92.4 Ų | 92.4 | 42% | 0.424 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69 | -45.2 | 176.6 | -172 | 69.4 | 0 | 0 | 0 | 111.2 | H540 Y541 Y542 I546 R547 L548 | H540-L544 WeakPolarHBondContact O-CB 3.42Å; H540-L544 PolarHBondContact O-N 3.05Å; Y541-L544 PolarHBondContact O-N 3.44Å; Y542-L544 VanDerWaalsContact C-N 3.31Å; Y542-L544 PolarHBondContact O-N 3.38Å; L544-I546 VanDerWaalsContact C-N 3.31Å; L544-I546 PolarHBondContact O-N 3.33Å; L544-R547 PolarHBondContact O-N 2.89Å; L544-L548 HydrophobicContact CD1-CD1 4.3Å; L544-L548 HydrophobicContact CD1-CG 4.42Å; L544-L548 HydrophobicContact CD2-CD1 4.46Å; L544-L548 HydrophobicContact CG-CD1 3.89Å; L544-L548 HydrophobicContact CG-CG 4.38Å; L544-L548 WeakPolarHBondContact O-CB 3.47Å; L544-L548 VanDerWaalsContact O-CG 3.31Å; L544-L548 WeakPolarHBondContact O-CG 3.32Å; L544-L548 PolarHBondContact O-N 3.02Å |
| 545 | R | 67.2 | Low | 65.1 | Low | 58 Ų | 58 | 95 Ų | 95 | 22% | 0.219 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -54.5 | -47 | 176 | -173 | -171.9 | -177.1 | 173.7 | 8.7 | 111.7 | Y541 Y542 L548 G549 L550 P551 G552 | Y541-R545 WeakPolarHBondContact O-CB 3.21Å; Y541-R545 PolarHBondContact O-N 3.24Å; Y542-R545 PolarHBondContact O-N 2.99Å; R545-L548 PolarHBondContact O-N 3.45Å; R545-G549 PolarHBondContact O-N 3.42Å; R545-L550 HydrophobicContact CG-CB 3.77Å; R545-L550 HydrophobicContact CG-CD1 4.2Å; R545-L550 PolarHBondContact O-N 3.04Å; R545-P551 PolarHBondContact NE-O 2.96Å; R545-P551 VanDerWaalsContact NE-O 3.08Å; R545-P551 PolarHBondContact NH2-O 2.89Å; R545-G552 VanDerWaalsContact NH2-C 3.32Å; R545-G552 PolarHBondContact NH2-O 2.91Å |
| 546 | I | 62.7 | Low | 65.5 | Low | 134 Ų | 134 | 93.4 Ų | 93.4 | 69% | 0.687 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.3 | -44.9 | 178.2 | -65.4 | 165.5 | 0 | 0 | 0 | 110.9 | Y542 L544 L548 G549 | Y542-I546 WeakPolarHBondContact O-CG1 3.47Å; Y542-I546 PolarHBondContact O-N 3.46Å; Y542-I546 VanDerWaalsContact O-N 3.08Å; L544-I546 VanDerWaalsContact C-N 3.31Å; L544-I546 PolarHBondContact O-N 3.33Å; I546-L548 VanDerWaalsContact C-N 3.28Å; I546-L548 PolarHBondContact O-N 3.15Å; I546-G549 PolarHBondContact O-N 2.98Å; I546-G549 VanDerWaalsContact O-N 3.12Å |
| 547 | R | 71.4 | Confident | 66 | Low | 214 Ų | 214 | 86.9 Ų | 86.9 | 81% | 0.808 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.4 | -28.7 | 177.5 | -79 | -177.4 | 176.4 | -163.7 | -0.1 | 114.2 | T543 L544 G549 | T543-R547 WeakPolarHBondContact O-CB 3.4Å; T543-R547 WeakPolarHBondContact O-CG 3.27Å; T543-R547 PolarHBondContact O-N 3.27Å; L544-R547 PolarHBondContact O-N 2.89Å; R547-G549 VanDerWaalsContact C-N 3.31Å |
| 548 | L | 70.9 | Confident | 66.6 | Low | 65 Ų | 65 | 87.6 Ų | 87.6 | 34% | 0.34 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -3.8 | 176.6 | -68.2 | 173.8 | 0 | 0 | 0 | 113 | L544 R545 I546 L550 F613 Q617 | L544-L548 HydrophobicContact CD1-CD1 4.3Å; L544-L548 HydrophobicContact CD1-CG 4.42Å; L544-L548 HydrophobicContact CD2-CD1 4.46Å; L544-L548 HydrophobicContact CG-CD1 3.89Å; L544-L548 HydrophobicContact CG-CG 4.38Å; L544-L548 WeakPolarHBondContact O-CB 3.47Å; L544-L548 VanDerWaalsContact O-CG 3.31Å; L544-L548 WeakPolarHBondContact O-CG 3.32Å; L544-L548 PolarHBondContact O-N 3.02Å; R545-L548 PolarHBondContact O-N 3.45Å; I546-L548 VanDerWaalsContact C-N 3.28Å; I546-L548 PolarHBondContact O-N 3.15Å; L548-L550 HydrophobicContact CB-CD1 4.19Å; L548-L550 HydrophobicContact CB-CG 3.86Å; L548-L550 HydrophobicContact CD1-CD1 4.19Å; L548-L550 PolarHBondContact O-N 3.38Å; L548-F613 HydrophobicContact CB-CE2 4.21Å; L548-F613 HydrophobicContact CB-CZ 4.34Å; L548-F613 HydrophobicContact CD2-CE2 3.92Å; L548-F613 HydrophobicContact CD2-CZ 4.11Å; L548-F613 VanDerWaalsContact O-CZ 3.26Å; L548-F613 WeakPolarHBondContact O-CZ 3.49Å; L548-Q617 PolarHBondContact O-NE2 2.84Å |
| 549 | G | 65.2 | Low | 66.9 | Low | 42 Ų | 42 | 89.7 Ų | 89.7 | 43% | 0.433 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 24 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R545 I546 R547 | R545-G549 PolarHBondContact O-N 3.42Å; I546-G549 PolarHBondContact O-N 2.98Å; I546-G549 VanDerWaalsContact O-N 3.12Å; R547-G549 VanDerWaalsContact C-N 3.31Å |
| 550 | L | 73.9 | Confident | 67.7 | Low | 54 Ų | 54 | 87.8 Ų | 87.8 | 28% | 0.283 | 45% | 0.454 | S | S | . | . | trans | -72.5 | 139.1 | 179.4 | -62.5 | 175.5 | 0 | 0 | 0 | 109.9 | R545 L548 L616 | R545-L550 HydrophobicContact CG-CB 3.77Å; R545-L550 HydrophobicContact CG-CD1 4.2Å; R545-L550 PolarHBondContact O-N 3.04Å; L548-L550 HydrophobicContact CB-CD1 4.19Å; L548-L550 HydrophobicContact CB-CG 3.86Å; L548-L550 HydrophobicContact CD1-CD1 4.19Å; L548-L550 PolarHBondContact O-N 3.38Å; L550-L616 HydrophobicContact CD2-CB 3.95Å; L550-L616 WeakPolarHBondContact CD2-O 3.27Å | ||
| 551 | P | 69.3 | Low | 68.6 | Low | 25 Ų | 25 | 82.4 Ų | 82.4 | 16% | 0.162 | 43% | 0.431 | C | S | . | . | trans | -58.6 | 153.6 | -173.2 | 26.4 | -37.5 | 0 | 0 | 0 | 112.1 | R545 D555 L616 P619 | R545-P551 PolarHBondContact NE-O 2.96Å; R545-P551 VanDerWaalsContact NE-O 3.08Å; R545-P551 PolarHBondContact NH2-O 2.89Å; P551-D555 HydrophobicContact CB-CB 4.19Å; P551-L616 WeakPolarHBondContact CD-O 3.46Å; P551-P619 HydrophobicContact CB-CB 4.17Å | ||
| 552 | G | 60.9 | Low | 69.3 | Low | 33 Ų | 33 | 81 Ų | 81 | 34% | 0.34 | 43% | 0.427 | S | S | . | . | trans | -66 | 176.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R545 M554 D555 | R545-G552 VanDerWaalsContact NH2-C 3.32Å; R545-G552 PolarHBondContact NH2-O 2.91Å; G552-M554 PolarHBondContact O-N 3.12Å; G552-D555 VanDerWaalsContact N-CG 3.29Å; G552-D555 PolarHBondContact N-OD2 2.87Å | ||
| 553 | K | 57.3 | Low | 70.4 | Confident | 143 Ų | 143 | 81 Ų | 81 | 62% | 0.622 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -78.1 | -5.1 | 173.3 | -92.9 | -157.4 | 177.4 | -166.9 | 0 | 113.4 | E526 | E526-K553 WeakPolarHBondContact OE1-CE 3.31Å; E526-K553 IonicContact OE1-NZ 3.38Å; E526-K553 PolarHBondContact OE1-NZ 2.89Å |
| 554 | M | 56.7 | Low | 71.4 | Confident | 154 Ų | 154 | 80.1 Ų | 80.1 | 76% | 0.759 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -120.1 | -6.5 | -177.4 | -71.7 | -179 | 165.2 | 0 | 0 | 113.6 | G552 | G552-M554 PolarHBondContact O-N 3.12Š|
| 555 | D | 67.1 | Low | 72.6 | Confident | 89 Ų | 89 | 76.3 Ų | 76.3 | 48% | 0.476 | 41% | 0.406 | S | S | . | . | trans | -73.2 | 130 | -178.3 | -53.5 | 5.2 | 0 | 0 | 0 | 108.6 | P551 G552 P619 | P551-D555 HydrophobicContact CB-CB 4.19Å; G552-D555 VanDerWaalsContact N-CG 3.29Å; G552-D555 PolarHBondContact N-OD2 2.87Å; D555-P619 HydrophobicContact CB-CB 3.93Å | ||
| 556 | R | 71.6 | Confident | 73.5 | Confident | 154 Ų | 154 | 75.5 Ų | 75.5 | 58% | 0.581 | 41% | 0.407 | S | S | * | . | trans | -112.3 | 150.2 | -178.9 | -62.9 | -165.6 | -168.1 | -158.9 | 6.8 | 111.7 | E434 P619 | E434-R556 IonicContact OE2-CZ 2.64Å; E434-R556 IonicContact OE2-NH1 2.74Å; E434-R556 PolarHBondContact OE2-NH1 3.26Å; R556-P619 WeakPolarHBondContact O-CG 3.47Å | ||
| 557 | P | 77.4 | Confident | 74.7 | Confident | 11 Ų | 11 | 73 Ų | 73 | 7% | 0.071 | 40% | 0.395 | C | S | . | . | trans | -61.3 | 136.5 | 170.8 | 24.5 | -33.1 | 0 | 0 | 0 | 111.9 | Y431 Q432 N621 | Y431-P557 WeakPolarHBondContact O-CB 3.35Å; Q432-P557 VanDerWaalsContact O-CG 3.28Å; Q432-P557 WeakPolarHBondContact O-CG 3.49Å; P557-N621 HydrophobicContact CG-CB 4.16Å | ||
| 558 | T | 80.5 | Confident | 75.7 | Confident | 72 Ų | 72 | 63.5 Ų | 63.5 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | trans | -114.1 | 166 | 171.5 | 64.1 | 0 | 0 | 0 | 0 | 109.3 | A560 T561 G562 | T558-A560 PolarHBondContact O-N 2.9Å; T558-T561 PolarHBondContact N-OG1 3.28Å; T558-T561 PolarHBondContact O-N 3.46Å; T558-T561 PolarHBondContact O-OG1 2.97Å; T558-T561 PolarHBondContact OG1-N 2.82Å; T558-T561 PolarHBondContact OG1-OG1 3.48Å; T558-G562 PolarHBondContact O-N 2.92Å | ||
| 559 | A | 75.6 | Confident | 76.6 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 61% | 0.612 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -55.2 | -34.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H563 | A559-H563 VanDerWaalsContact O-CB 3.27Å; A559-H563 WeakPolarHBondContact O-CB 3.13Å; A559-H563 PolarHBondContact O-N 2.99Å |
| 560 | A | 77.6 | Confident | 77.8 | Confident | 67 Ų | 67 | 62.8 Ų | 62.8 | 55% | 0.554 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -70.3 | -41.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T558 T564 | T558-A560 PolarHBondContact O-N 2.9Å; A560-T564 WeakPolarHBondContact O-CB 3.28Å; A560-T564 PolarHBondContact O-N 3.22Å; A560-T564 PolarHBondContact O-OG1 3.42Å |
| 561 | T | 81.8 | Confident | 78.7 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 15% | 0.153 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.2 | -40.4 | 175.7 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | T558 T564 V565 P619 | T558-T561 PolarHBondContact N-OG1 3.28Å; T558-T561 PolarHBondContact O-N 3.46Å; T558-T561 PolarHBondContact O-OG1 2.97Å; T558-T561 PolarHBondContact OG1-N 2.82Å; T558-T561 PolarHBondContact OG1-OG1 3.48Å; T561-T564 WeakPolarHBondContact O-CB 3.35Å; T561-T564 PolarHBondContact O-N 3.01Å; T561-V565 PolarHBondContact O-N 3.48Å; T561-P619 HydrophobicContact CG2-CG 4.2Å |
| 562 | G | 80.4 | Confident | 79.8 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59 | -49 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y431 T558 T564 V565 T566 | Y431-G562 WeakPolarHBondContact O-CA 3.33Å; T558-G562 PolarHBondContact O-N 2.92Å; G562-T564 VanDerWaalsContact C-N 3.31Å; G562-T564 PolarHBondContact O-N 3.03Å; G562-V565 PolarHBondContact O-N 3.37Å; G562-T566 PolarHBondContact O-N 3.05Å; G562-T566 PolarHBondContact O-OG1 3.37Å; G562-T566 VanDerWaalsContact O-OG1 3.07Å |
| 563 | H | 83 | Confident | 81.3 | Confident | 126 Ų | 126 | 64.1 Ų | 64.1 | 58% | 0.583 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.3 | -37.4 | 175 | -174.9 | -96.8 | 0 | 0 | 0 | 112.8 | A559 T566 I567 | A559-H563 VanDerWaalsContact O-CB 3.27Å; A559-H563 WeakPolarHBondContact O-CB 3.13Å; A559-H563 PolarHBondContact O-N 2.99Å; H563-T566 PolarHBondContact O-N 3.21Å; H563-I567 PolarHBondContact O-N 3.45Å; H563-I567 VanDerWaalsContact O-N 3.08Å |
| 564 | T | 86.4 | Confident | 83 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 174.4 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | A560 T561 G562 T566 I567 C568 | A560-T564 WeakPolarHBondContact O-CB 3.28Å; A560-T564 PolarHBondContact O-N 3.22Å; A560-T564 PolarHBondContact O-OG1 3.42Å; T561-T564 WeakPolarHBondContact O-CB 3.35Å; T561-T564 PolarHBondContact O-N 3.01Å; G562-T564 VanDerWaalsContact C-N 3.31Å; G562-T564 PolarHBondContact O-N 3.03Å; T564-T566 PolarHBondContact O-N 3.23Å; T564-I567 PolarHBondContact O-N 2.88Å; T564-C568 PolarHBondContact O-N 2.95Å; T564-C568 PolarHBondContact O-SG 3Å; T564-C568 VanDerWaalsContact O-SG 3.37Å |
| 565 | V | 86.9 | Confident | 84.8 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.2 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | Y431 T561 G562 I567 C568 V569 Q618 | Y431-V565 HydrophobicContact CD1-CG2 4.26Å; Y431-V565 HydrophobicContact CD2-CG1 3.76Å; Y431-V565 HydrophobicContact CD2-CG2 4.17Å; Y431-V565 HydrophobicContact CG-CB 4.42Å; Y431-V565 HydrophobicContact CG-CG1 4.13Å; Y431-V565 HydrophobicContact CG-CG2 3.77Å; T561-V565 PolarHBondContact O-N 3.48Å; G562-V565 PolarHBondContact O-N 3.37Å; V565-I567 VanDerWaalsContact C-N 3.31Å; V565-I567 PolarHBondContact O-N 3.42Å; V565-C568 CarbonylContact O-C 3.6Å; V565-C568 PolarHBondContact O-N 3.34Å; V565-C568 VanDerWaalsContact O-N 3.1Å; V565-V569 HydrophobicContact CG1-CG2 3.71Å; V565-V569 WeakPolarHBondContact O-CB 3.45Å; V565-V569 VanDerWaalsContact O-CG2 3.29Å; V565-V569 WeakPolarHBondContact O-CG2 3.49Å; V565-V569 PolarHBondContact O-N 2.91Å; V565-Q618 HydrophobicContact CG2-CB 3.7Å; V565-Q618 HydrophobicContact CG2-CG 3.52Å |
| 566 | T | 86.4 | Confident | 86.1 | Confident | 41 Ų | 41 | 51.1 Ų | 51.1 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.2 | -45.5 | 177.7 | -57 | 0 | 0 | 0 | 0 | 111.9 | L428 G562 H563 T564 L570 | L428-T566 HydrophobicContact CD2-CG2 4.1Å; G562-T566 PolarHBondContact O-N 3.05Å; G562-T566 PolarHBondContact O-OG1 3.37Å; G562-T566 VanDerWaalsContact O-OG1 3.07Å; H563-T566 PolarHBondContact O-N 3.21Å; T564-T566 PolarHBondContact O-N 3.23Å; T566-L570 HydrophobicContact CG2-CD1 4.03Å; T566-L570 WeakPolarHBondContact O-CB 3.34Å; T566-L570 VanDerWaalsContact O-CG 3.27Å; T566-L570 WeakPolarHBondContact O-CG 3.36Å; T566-L570 PolarHBondContact O-N 3.21Å |
| 567 | I | 88.9 | Confident | 87.1 | Confident | 83 Ų | 83 | 47.3 Ų | 47.3 | 43% | 0.426 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 174 | -68.1 | 171.2 | 0 | 0 | 0 | 110.9 | H563 T564 V565 V569 L570 L571 | H563-I567 PolarHBondContact O-N 3.45Å; H563-I567 VanDerWaalsContact O-N 3.08Å; T564-I567 PolarHBondContact O-N 2.88Å; V565-I567 VanDerWaalsContact C-N 3.31Å; V565-I567 PolarHBondContact O-N 3.42Å; I567-V569 VanDerWaalsContact C-N 3.33Å; I567-V569 PolarHBondContact O-N 2.82Å; I567-L570 PolarHBondContact O-N 2.91Å; I567-L571 HydrophobicContact CG2-CD1 3.76Å; I567-L571 HydrophobicContact CG2-CG 4.29Å; I567-L571 WeakPolarHBondContact O-CB 3.28Å; I567-L571 VanDerWaalsContact O-CG 3.29Å; I567-L571 WeakPolarHBondContact O-CG 3.47Å; I567-L571 PolarHBondContact O-N 2.83Å |
| 568 | C | 91.1 | Very high | 87.9 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 10% | 0.095 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -37.4 | -179.2 | -70.9 | 0 | 0 | 0 | 0 | 113.3 | T564 V565 L572 L611 I615 | T564-C568 PolarHBondContact O-N 2.95Å; T564-C568 PolarHBondContact O-SG 3Å; T564-C568 VanDerWaalsContact O-SG 3.37Å; V565-C568 CarbonylContact O-C 3.6Å; V565-C568 PolarHBondContact O-N 3.34Å; V565-C568 VanDerWaalsContact O-N 3.1Å; C568-L572 WeakPolarHBondContact O-CB 3.37Å; C568-L572 PolarHBondContact O-N 3.31Å; C568-L611 HydrophobicContact CB-CD2 4.3Å; C568-I615 HydrophobicContact CB-CD1 4.08Å; C568-I615 HydrophobicContact CB-CG1 3.79Å |
| 569 | V | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.9 | -41.3 | 179.1 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | V424 L427 L428 V565 I567 L572 F573 I615 | V424-V569 HydrophobicContact CB-CG1 4.49Å; V424-V569 HydrophobicContact CG1-CG1 3.95Å; V424-V569 HydrophobicContact CG2-CG1 4.36Å; L427-V569 HydrophobicContact CD2-CG1 4.12Å; L427-V569 HydrophobicContact CD2-CG2 3.66Å; L427-V569 HydrophobicContact CG-CG2 3.8Å; L428-V569 HydrophobicContact CD2-CB 3.92Å; L428-V569 HydrophobicContact CD2-CG1 4.07Å; L428-V569 HydrophobicContact CD2-CG2 4.22Å; L428-V569 HydrophobicContact CG-CG1 4.4Å; V565-V569 HydrophobicContact CG1-CG2 3.71Å; V565-V569 WeakPolarHBondContact O-CB 3.45Å; V565-V569 VanDerWaalsContact O-CG2 3.29Å; V565-V569 WeakPolarHBondContact O-CG2 3.49Å; V565-V569 PolarHBondContact O-N 2.91Å; I567-V569 VanDerWaalsContact C-N 3.33Å; I567-V569 PolarHBondContact O-N 2.82Å; V569-L572 PolarHBondContact O-N 3.37Å; V569-F573 PolarHBondContact O-N 3.47Å; V569-I615 HydrophobicContact CG2-CD1 3.82Å |
| 570 | L | 89.8 | Confident | 89.4 | Confident | 91 Ų | 91 | 45.3 Ų | 45.3 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 174.7 | -69.3 | 172.2 | 0 | 0 | 0 | 111.6 | T566 I567 F573 I574 | T566-L570 HydrophobicContact CG2-CD1 4.03Å; T566-L570 WeakPolarHBondContact O-CB 3.34Å; T566-L570 VanDerWaalsContact O-CG 3.27Å; T566-L570 WeakPolarHBondContact O-CG 3.36Å; T566-L570 PolarHBondContact O-N 3.21Å; I567-L570 PolarHBondContact O-N 2.91Å; L570-F573 PolarHBondContact O-N 3.32Å; L570-I574 WeakPolarHBondContact O-CG1 3.14Å; L570-I574 PolarHBondContact O-N 3.21Å; L570-I574 VanDerWaalsContact O-N 3.11Å |
| 571 | L | 93 | Very high | 90.1 | Very high | 88 Ų | 88 | 43.9 Ų | 43.9 | 46% | 0.461 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 172.1 | -71.6 | 174.9 | 0 | 0 | 0 | 111.7 | I567 F573 I574 L575 L611 | I567-L571 HydrophobicContact CG2-CD1 3.76Å; I567-L571 HydrophobicContact CG2-CG 4.29Å; I567-L571 WeakPolarHBondContact O-CB 3.28Å; I567-L571 VanDerWaalsContact O-CG 3.29Å; I567-L571 WeakPolarHBondContact O-CG 3.47Å; I567-L571 PolarHBondContact O-N 2.83Å; L571-F573 PolarHBondContact O-N 3.02Å; L571-I574 PolarHBondContact O-N 3.12Å; L571-L575 WeakPolarHBondContact O-CB 3.25Å; L571-L575 PolarHBondContact O-N 3.47Å; L571-L611 HydrophobicContact CB-CD1 3.99Å; L571-L611 HydrophobicContact CB-CD2 4.45Å |
| 572 | L | 93.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 177.9 | -176.3 | 66 | 0 | 0 | 0 | 111.7 | C568 V569 L575 M576 I608 L611 V612 I615 A637 M640 | C568-L572 WeakPolarHBondContact O-CB 3.37Å; C568-L572 PolarHBondContact O-N 3.31Å; V569-L572 PolarHBondContact O-N 3.37Å; L572-L575 PolarHBondContact O-N 2.87Å; L572-M576 HydrophobicContact CD1-CE 3.84Å; L572-M576 HydrophobicContact CD2-CE 4.28Å; L572-M576 HydrophobicContact CG-CE 3.95Å; L572-M576 HydrophobicContact CG-SD 4.22Å; L572-M576 WeakPolarHBondContact O-CB 3.37Å; L572-M576 VanDerWaalsContact O-CG 3.27Å; L572-M576 WeakPolarHBondContact O-CG 3.38Å; L572-M576 PolarHBondContact O-N 3.17Å; L572-I608 HydrophobicContact CD1-CG2 4.02Å; L572-L611 HydrophobicContact CB-CD1 4.27Å; L572-L611 HydrophobicContact CD1-CB 4.12Å; L572-L611 HydrophobicContact CD1-CD1 4.44Å; L572-V612 HydrophobicContact CD1-CG2 3.99Å; L572-V612 HydrophobicContact CD2-CG2 4.02Å; L572-I615 HydrophobicContact CD2-CD1 4.14Å; L572-A637 HydrophobicContact CD2-CB 4.42Å; L572-M640 HydrophobicContact CD2-CE 4.07Å |
| 573 | F | 92.1 | Very high | 91 | Very high | 51 Ų | 51 | 46.8 Ų | 46.8 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -50.7 | 175.7 | 174.6 | -95.8 | 0 | 0 | 0 | 112.1 | V424 V569 L570 L571 L575 M576 F577 I644 | V424-F573 HydrophobicContact CG2-CD2 4.41Å; V569-F573 PolarHBondContact O-N 3.47Å; L570-F573 PolarHBondContact O-N 3.32Å; L571-F573 PolarHBondContact O-N 3.02Å; F573-L575 VanDerWaalsContact C-N 3.31Å; F573-L575 PolarHBondContact O-N 2.97Å; F573-M576 PolarHBondContact O-N 3.43Å; F573-F577 PolarHBondContact O-N 3.27Å; F573-I644 HydrophobicContact CD2-CD1 3.95Å; F573-I644 HydrophobicContact CE2-CD1 3.98Å; F573-I644 HydrophobicContact CE2-CG1 4.46Å |
| 574 | I | 93.2 | Very high | 91.2 | Very high | 93 Ų | 93 | 41.6 Ų | 41.6 | 48% | 0.477 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 178.2 | -66.9 | 165.7 | 0 | 0 | 0 | 110.6 | L570 L571 F577 I578 | L570-I574 WeakPolarHBondContact O-CG1 3.14Å; L570-I574 PolarHBondContact O-N 3.21Å; L570-I574 VanDerWaalsContact O-N 3.11Å; L571-I574 PolarHBondContact O-N 3.12Å; I574-F577 WeakPolarHBondContact O-CB 3.36Å; I574-F577 PolarHBondContact O-N 3.29Å; I574-I578 HydrophobicContact CG2-CD1 3.9Å; I574-I578 WeakPolarHBondContact O-CG1 3.48Å; I574-I578 PolarHBondContact O-N 3.4Å |
| 575 | L | 94.1 | Very high | 91.3 | Very high | 16 Ų | 16 | 45.7 Ų | 45.7 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.1 | -40.1 | 179.8 | -175.6 | 70.9 | 0 | 0 | 0 | 112.6 | L571 L572 F573 F577 I578 F579 M604 L607 I608 L611 | L571-L575 WeakPolarHBondContact O-CB 3.25Å; L571-L575 PolarHBondContact O-N 3.47Å; L572-L575 PolarHBondContact O-N 2.87Å; F573-L575 VanDerWaalsContact C-N 3.31Å; F573-L575 PolarHBondContact O-N 2.97Å; L575-F577 VanDerWaalsContact C-N 3.33Å; L575-I578 PolarHBondContact O-N 3.32Å; L575-F579 VanDerWaalsContact O-CB 3.23Å; L575-F579 WeakPolarHBondContact O-CB 3.41Å; L575-F579 PolarHBondContact O-N 3.44Å; L575-M604 HydrophobicContact CD1-SD 3.49Å; L575-M604 WeakPolarHBondContact CD1-SD 3.33Å; L575-L607 HydrophobicContact CD1-CB 4.48Å; L575-L607 HydrophobicContact CD1-CD2 4.21Å; L575-L607 HydrophobicContact CD2-CB 3.98Å; L575-L607 HydrophobicContact CD2-CD2 3.49Å; L575-L607 VanDerWaalsContact CD2-CD2 3.49Å; L575-L607 HydrophobicContact CD2-CG 4.31Å; L575-L607 HydrophobicContact CG-CD2 4.49Å; L575-I608 HydrophobicContact CD2-CB 4.24Å; L575-I608 HydrophobicContact CD2-CG1 3.46Å; L575-I608 VanDerWaalsContact CD2-CG1 3.46Å; L575-I608 HydrophobicContact CG-CG1 3.75Å; L575-L611 HydrophobicContact CD2-CD1 3.7Å |
| 576 | M | 94.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 172.3 | -78.3 | 176.4 | 172.3 | 0 | 0 | 111.4 | L572 F573 F579 C580 I608 A637 M640 L641 I644 | L572-M576 HydrophobicContact CD1-CE 3.84Å; L572-M576 HydrophobicContact CD2-CE 4.28Å; L572-M576 HydrophobicContact CG-CE 3.95Å; L572-M576 HydrophobicContact CG-SD 4.22Å; L572-M576 WeakPolarHBondContact O-CB 3.37Å; L572-M576 VanDerWaalsContact O-CG 3.27Å; L572-M576 WeakPolarHBondContact O-CG 3.38Å; L572-M576 PolarHBondContact O-N 3.17Å; F573-M576 PolarHBondContact O-N 3.43Å; M576-F579 PolarHBondContact O-N 2.95Å; M576-C580 WeakPolarHBondContact O-CB 3.33Å; M576-C580 PolarHBondContact O-N 3.29Å; M576-C580 PolarHBondContact O-SG 3.41Å; M576-C580 VanDerWaalsContact O-SG 3.34Å; M576-I608 HydrophobicContact CE-CG2 4.18Å; M576-I608 HydrophobicContact CG-CD1 4.38Å; M576-A637 HydrophobicContact CE-CB 4.21Å; M576-A637 VanDerWaalsContact CE-O 3.26Å; M576-A637 WeakPolarHBondContact CE-O 3.33Å; M576-M640 HydrophobicContact SD-CB 3.94Å; M576-L641 HydrophobicContact CE-CB 4.09Å; M576-L641 HydrophobicContact CE-CD1 4.38Å; M576-L641 HydrophobicContact SD-CB 4Å; M576-I644 HydrophobicContact CB-CD1 3.84Å |
| 577 | F | 93.2 | Very high | 91.1 | Very high | 75 Ų | 75 | 46.3 Ų | 46.3 | 33% | 0.329 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 174.8 | -166.9 | -87.8 | 0 | 0 | 0 | 112.2 | F573 I574 L575 F579 S581 I644 L648 W655 | F573-F577 PolarHBondContact O-N 3.27Å; I574-F577 WeakPolarHBondContact O-CB 3.36Å; I574-F577 PolarHBondContact O-N 3.29Å; L575-F577 VanDerWaalsContact C-N 3.33Å; F577-F579 PolarHBondContact O-N 3.11Å; F577-S581 WeakPolarHBondContact O-CB 3.27Å; F577-S581 PolarHBondContact O-N 3Å; F577-I644 HydrophobicContact CB-CG2 4.42Å; F577-I644 HydrophobicContact CD2-CG2 4.07Å; F577-L648 HydrophobicContact CD2-CD1 4.48Å; F577-L648 HydrophobicContact CE2-CD1 4.37Å; F577-L648 HydrophobicContact CE2-CD2 4.01Å; F577-L648 HydrophobicContact CE2-CG 4.34Å; F577-L648 HydrophobicContact CZ-CD2 3.85Å; F577-W655 HydrophobicContact CE2-CH2 4.13Å; F577-W655 HydrophobicContact CZ-CH2 4.31Å |
| 578 | I | 93.9 | Very high | 91.1 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 43% | 0.431 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 175.4 | -67.9 | 166.7 | 0 | 0 | 0 | 111 | I574 L575 S581 F582 M604 | I574-I578 HydrophobicContact CG2-CD1 3.9Å; I574-I578 WeakPolarHBondContact O-CG1 3.48Å; I574-I578 PolarHBondContact O-N 3.4Å; L575-I578 PolarHBondContact O-N 3.32Å; I578-S581 PolarHBondContact O-N 3.49Å; I578-F582 WeakPolarHBondContact O-CB 3.36Å; I578-F582 PolarHBondContact O-N 3.46Å; I578-M604 HydrophobicContact CG2-SD 4.49Å |
| 579 | F | 94.2 | Very high | 90.9 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -52.8 | 178.5 | 171.5 | -104 | 0 | 0 | 0 | 112.2 | L575 M576 F577 S581 F582 I583 V601 M604 V605 I608 L641 | L575-F579 VanDerWaalsContact O-CB 3.23Å; L575-F579 WeakPolarHBondContact O-CB 3.41Å; L575-F579 PolarHBondContact O-N 3.44Å; M576-F579 PolarHBondContact O-N 2.95Å; F577-F579 PolarHBondContact O-N 3.11Å; F579-S581 VanDerWaalsContact C-N 3.3Å; F579-S581 PolarHBondContact O-N 2.84Å; F579-F582 PolarHBondContact O-N 3.21Å; F579-I583 HydrophobicContact CD2-CG1 4.26Å; F579-I583 HydrophobicContact CE1-CG1 4.21Å; F579-I583 HydrophobicContact CE2-CD1 4.1Å; F579-I583 HydrophobicContact CE2-CG1 3.91Å; F579-I583 HydrophobicContact CZ-CD1 4.2Å; F579-I583 HydrophobicContact CZ-CG1 3.88Å; F579-I583 VanDerWaalsContact O-CG1 3.3Å; F579-I583 WeakPolarHBondContact O-CG1 3.47Å; F579-I583 PolarHBondContact O-N 3.21Å; F579-V601 HydrophobicContact CE2-CG1 4.33Å; F579-M604 HydrophobicContact CD2-CB 3.84Å; F579-V605 HydrophobicContact CE2-CG2 3.66Å; F579-V605 HydrophobicContact CZ-CG2 4Å; F579-I608 HydrophobicContact CB-CD1 3.89Å; F579-I608 HydrophobicContact CD1-CD1 3.98Å; F579-I608 HydrophobicContact CD2-CD1 4.29Å; F579-I608 HydrophobicContact CG-CD1 3.78Å; F579-L641 HydrophobicContact CE1-CD1 4.37Å |
| 580 | C | 92.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -37.8 | 178.3 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | M576 I583 I584 I644 L648 | M576-C580 WeakPolarHBondContact O-CB 3.33Å; M576-C580 PolarHBondContact O-N 3.29Å; M576-C580 PolarHBondContact O-SG 3.41Å; M576-C580 VanDerWaalsContact O-SG 3.34Å; C580-I583 PolarHBondContact O-N 2.86Å; C580-I584 WeakPolarHBondContact O-CB 3.23Å; C580-I584 VanDerWaalsContact O-CG1 3.29Å; C580-I584 WeakPolarHBondContact O-CG1 3.3Å; C580-I584 PolarHBondContact O-N 3.38Å; C580-I644 HydrophobicContact CB-CG2 3.8Å; C580-L648 HydrophobicContact CB-CD1 3.69Å |
| 581 | S | 92.2 | Very high | 90.6 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | F577 I578 F579 I583 I584 F585 | F577-S581 WeakPolarHBondContact O-CB 3.27Å; F577-S581 PolarHBondContact O-N 3Å; I578-S581 PolarHBondContact O-N 3.49Å; F579-S581 VanDerWaalsContact C-N 3.3Å; F579-S581 PolarHBondContact O-N 2.84Å; S581-I583 PolarHBondContact O-N 3.4Å; S581-I584 PolarHBondContact O-N 3.34Å; S581-F585 WeakPolarHBondContact O-CD2 3.26Å; S581-F585 PolarHBondContact O-N 2.86Å |
| 582 | F | 91.6 | Very high | 90.4 | Very high | 39 Ų | 39 | 57 Ų | 57 | 17% | 0.171 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 176.3 | -168.9 | -92.5 | 0 | 0 | 0 | 113 | I578 F579 I584 G586 I590 W596 A597 L600 V601 | I578-F582 WeakPolarHBondContact O-CB 3.36Å; I578-F582 PolarHBondContact O-N 3.46Å; F579-F582 PolarHBondContact O-N 3.21Å; F582-I584 VanDerWaalsContact C-N 3.28Å; F582-I584 PolarHBondContact O-N 3.5Å; F582-G586 WeakPolarHBondContact O-CA 3.34Å; F582-G586 PolarHBondContact O-N 3.16Å; F582-I590 HydrophobicContact CD1-CD1 4.3Å; F582-I590 HydrophobicContact CE1-CD1 4.14Å; F582-I590 HydrophobicContact CE1-CG1 4.31Å; F582-W596 HydrophobicContact CE2-CH2 4.5Å; F582-W596 AromaticContact CE2-CZ3 4Å; F582-W596 HydrophobicContact CE2-CZ3 4Å; F582-W596 HydrophobicContact CZ-CH2 4.42Å; F582-W596 AromaticContact CZ-CZ3 3.93Å; F582-W596 HydrophobicContact CZ-CZ3 3.93Å; F582-A597 HydrophobicContact CE1-CB 4.09Å; F582-A597 HydrophobicContact CZ-CB 3.82Å; F582-L600 HydrophobicContact CB-CD2 4.48Å; F582-L600 HydrophobicContact CD1-CD2 3.83Å; F582-L600 HydrophobicContact CD2-CD2 3.91Å; F582-L600 HydrophobicContact CE1-CD2 4.01Å; F582-L600 HydrophobicContact CE2-CD1 4.21Å; F582-L600 HydrophobicContact CE2-CD2 4.08Å; F582-L600 HydrophobicContact CG-CD2 3.78Å; F582-L600 HydrophobicContact CZ-CD2 4.13Å; F582-V601 HydrophobicContact CD1-CG2 3.76Å; F582-V601 HydrophobicContact CE1-CG2 3.78Å |
| 583 | I | 90.4 | Very high | 90 | Very high | 52 Ų | 52 | 64.3 Ų | 64.3 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.6 | -30.3 | 176 | -68.4 | -67.9 | 0 | 0 | 0 | 112.1 | F579 C580 S581 I590 V601 Y645 | F579-I583 HydrophobicContact CD2-CG1 4.26Å; F579-I583 HydrophobicContact CE1-CG1 4.21Å; F579-I583 HydrophobicContact CE2-CD1 4.1Å; F579-I583 HydrophobicContact CE2-CG1 3.91Å; F579-I583 HydrophobicContact CZ-CD1 4.2Å; F579-I583 HydrophobicContact CZ-CG1 3.88Å; F579-I583 VanDerWaalsContact O-CG1 3.3Å; F579-I583 WeakPolarHBondContact O-CG1 3.47Å; F579-I583 PolarHBondContact O-N 3.21Å; C580-I583 PolarHBondContact O-N 2.86Å; S581-I583 PolarHBondContact O-N 3.4Å; I583-I590 HydrophobicContact CD1-CD1 4.08Å; I583-V601 HydrophobicContact CD1-CG1 4.24Å; I583-V601 HydrophobicContact CD1-CG2 3.89Å; I583-Y645 HydrophobicContact CG2-CE2 4.18Å |
| 584 | I | 87.2 | Confident | 89.9 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.082 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -91 | -47 | -176.1 | -70.4 | 168.9 | 0 | 0 | 0 | 112.5 | C580 S581 F582 S587 Y645 L648 K649 | C580-I584 WeakPolarHBondContact O-CB 3.23Å; C580-I584 VanDerWaalsContact O-CG1 3.29Å; C580-I584 WeakPolarHBondContact O-CG1 3.3Å; C580-I584 PolarHBondContact O-N 3.38Å; S581-I584 PolarHBondContact O-N 3.34Å; F582-I584 VanDerWaalsContact C-N 3.28Å; F582-I584 PolarHBondContact O-N 3.5Å; I584-S587 PolarHBondContact O-OG 3.14Å; I584-Y645 HydrophobicContact CD1-CD2 3.88Å; I584-Y645 HydrophobicContact CD1-CE2 3.86Å; I584-Y645 HydrophobicContact CD1-CG 4.44Å; I584-Y645 HydrophobicContact CG1-CD2 4.25Å; I584-Y645 HydrophobicContact CG1-CE2 3.79Å; I584-L648 HydrophobicContact CD1-CB 3.46Å; I584-L648 VanDerWaalsContact CD1-CB 3.46Å; I584-K649 HydrophobicContact CD1-CD 4.32Å; I584-K649 HydrophobicContact CD1-CG 4.12Å; I584-K649 HydrophobicContact CG1-CD 4.46Å; I584-K649 HydrophobicContact CG2-CD 4.38Å |
| 585 | F | 87.9 | Confident | 89.9 | Confident | 144 Ų | 144 | 68 Ų | 68 | 63% | 0.632 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -92.7 | -16.6 | -178.5 | -60.9 | -70 | 0 | 0 | 0 | 113.6 | S581 | S581-F585 WeakPolarHBondContact O-CD2 3.26Å; S581-F585 PolarHBondContact O-N 2.86Å |
| 586 | G | 84.7 | Confident | 89.7 | Confident | 5 Ų | 5 | 72.3 Ų | 72.3 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -97.5 | 13.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F582 D588 Y589 I590 | F582-G586 WeakPolarHBondContact O-CA 3.34Å; F582-G586 PolarHBondContact O-N 3.16Å; G586-D588 PolarHBondContact O-N 3.02Å; G586-D588 VanDerWaalsContact O-N 3.12Å; G586-Y589 PolarHBondContact O-N 3.48Å; G586-I590 WeakPolarHBondContact O-CG1 3.41Å; G586-I590 PolarHBondContact O-N 3.48Å; G586-I590 VanDerWaalsContact O-N 3.15Å |
| 587 | S | 85.3 | Confident | 89.5 | Confident | 50 Ų | 50 | 72.1 Ų | 72.1 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -49.3 | -39.2 | -179.3 | 49 | 0 | 0 | 0 | 0 | 113 | I584 I590 S591 | I584-S587 PolarHBondContact O-OG 3.14Å; S587-I590 PolarHBondContact O-N 3.11Å; S587-S591 WeakPolarHBondContact O-CB 3.36Å; S587-S591 PolarHBondContact O-N 3.47Å |
| 588 | D | 87 | Confident | 89.4 | Confident | 103 Ų | 103 | 72.4 Ų | 72.4 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -73.4 | -48.5 | -169.1 | -56 | -2 | 0 | 0 | 0 | 109.3 | G586 I590 S591 E592 | G586-D588 PolarHBondContact O-N 3.02Å; G586-D588 VanDerWaalsContact O-N 3.12Å; D588-I590 VanDerWaalsContact C-N 3.25Å; D588-I590 PolarHBondContact O-N 3.21Å; D588-S591 CarbonylContact O-C 3.6Å; D588-S591 WeakPolarHBondContact O-CA 3.26Å; D588-S591 WeakPolarHBondContact O-CB 3.37Å; D588-S591 PolarHBondContact O-N 2.93Å; D588-S591 PolarHBondContact O-OG 3.4Å; D588-E592 WeakPolarHBondContact O-CG 3.1Å; D588-E592 PolarHBondContact O-N 2.94Å |
| 589 | Y | 88.7 | Confident | 89.4 | Confident | 116 Ų | 116 | 73 Ų | 73 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.9 | -32.7 | 172.4 | -56 | -57.9 | 0 | 0 | 0 | 113.3 | G586 Q593 S594 W596 | G586-Y589 PolarHBondContact O-N 3.48Å; Y589-Q593 PolarHBondContact O-N 3.34Å; Y589-S594 WeakPolarHBondContact O-CB 3.17Å; Y589-S594 PolarHBondContact O-N 2.84Å; Y589-W596 AromaticContact CD1-CZ2 3.89Å; Y589-W596 HydrophobicContact CD1-CZ2 3.89Å; Y589-W596 AromaticContact CD2-CH2 3.86Å; Y589-W596 HydrophobicContact CD2-CH2 3.86Å; Y589-W596 AromaticContact CD2-CZ2 3.99Å; Y589-W596 HydrophobicContact CD2-CZ2 3.99Å; Y589-W596 HydrophobicContact CE1-CZ2 4.37Å; Y589-W596 HydrophobicContact CE2-CH2 4.3Å; Y589-W596 HydrophobicContact CE2-CZ2 4.47Å; Y589-W596 HydrophobicContact CG-CH2 4Å; Y589-W596 AromaticContact CG-CZ2 3.68Å; Y589-W596 HydrophobicContact CG-CZ2 3.68Å |
| 590 | I | 87 | Confident | 89.3 | Confident | 55 Ų | 55 | 74 Ų | 74 | 28% | 0.282 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.6 | -41.1 | 173.7 | -65.6 | 165 | 0 | 0 | 0 | 110.1 | F582 I583 G586 S587 D588 Q593 A597 V601 | F582-I590 HydrophobicContact CD1-CD1 4.3Å; F582-I590 HydrophobicContact CE1-CD1 4.14Å; F582-I590 HydrophobicContact CE1-CG1 4.31Å; I583-I590 HydrophobicContact CD1-CD1 4.08Å; G586-I590 WeakPolarHBondContact O-CG1 3.41Å; G586-I590 PolarHBondContact O-N 3.48Å; G586-I590 VanDerWaalsContact O-N 3.15Å; S587-I590 PolarHBondContact O-N 3.11Å; D588-I590 VanDerWaalsContact C-N 3.25Å; D588-I590 PolarHBondContact O-N 3.21Å; I590-Q593 PolarHBondContact O-N 3.01Å; I590-Q593 VanDerWaalsContact O-N 3.12Å; I590-A597 HydrophobicContact CG1-CB 4.39Å; I590-V601 HydrophobicContact CD1-CG2 4.15Å |
| 591 | S | 85.3 | Confident | 89.3 | Confident | 88 Ų | 88 | 75.4 Ų | 75.4 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.2 | -35.8 | 177.7 | 80.4 | 0 | 0 | 0 | 0 | 113.2 | S587 D588 Q593 | S587-S591 WeakPolarHBondContact O-CB 3.36Å; S587-S591 PolarHBondContact O-N 3.47Å; D588-S591 CarbonylContact O-C 3.6Å; D588-S591 WeakPolarHBondContact O-CA 3.26Å; D588-S591 WeakPolarHBondContact O-CB 3.37Å; D588-S591 PolarHBondContact O-N 2.93Å; D588-S591 PolarHBondContact O-OG 3.4Å; S591-Q593 PolarHBondContact O-N 3.41Å |
| 592 | E | 89.3 | Confident | 89.3 | Confident | 137 Ų | 137 | 77.4 Ų | 77.4 | 64% | 0.64 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -1 | 171.1 | -68.4 | -179.9 | 160.2 | 0 | 0 | 113.3 | D588 S594 | D588-E592 WeakPolarHBondContact O-CG 3.1Å; D588-E592 PolarHBondContact O-N 2.94Å; E592-S594 PolarHBondContact O-N 3.4Å |
| 593 | Q | 85 | Confident | 89.4 | Confident | 155 Ų | 155 | 79.9 Ų | 79.9 | 72% | 0.724 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 32.9 | -178.6 | -53.5 | -173.7 | 3.5 | 0 | 0 | 113.8 | Y589 I590 S591 W595 I598 | Y589-Q593 PolarHBondContact O-N 3.34Å; I590-Q593 PolarHBondContact O-N 3.01Å; I590-Q593 VanDerWaalsContact O-N 3.12Å; S591-Q593 PolarHBondContact O-N 3.41Å; Q593-W595 PolarHBondContact O-N 2.92Å; Q593-W595 VanDerWaalsContact O-N 3.13Å; Q593-I598 HydrophobicContact CB-CD1 4.31Å |
| 594 | S | 90.7 | Very high | 89.6 | Confident | 28 Ų | 28 | 79 Ų | 79 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | trans | -57.7 | 117.8 | 177.3 | -91.8 | 0 | 0 | 0 | 0 | 111.5 | Y589 E592 W596 A597 I598 | Y589-S594 WeakPolarHBondContact O-CB 3.17Å; Y589-S594 PolarHBondContact O-N 2.84Å; E592-S594 PolarHBondContact O-N 3.4Å; S594-W596 PolarHBondContact O-N 3.04Å; S594-W596 VanDerWaalsContact O-N 3.13Å; S594-W596 PolarHBondContact OG-NE1 3.02Å; S594-A597 WeakPolarHBondContact O-CB 3.34Å; S594-A597 PolarHBondContact O-N 2.85Å; S594-I598 PolarHBondContact O-N 2.71Å | ||
| 595 | W | 92 | Very high | 89.9 | Confident | 195 Ų | 195 | 81.5 Ų | 81.5 | 74% | 0.739 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -54.1 | -38.2 | -175.3 | 75.3 | -83.2 | 0 | 0 | 0 | 113.4 | Q593 L599 | Q593-W595 PolarHBondContact O-N 2.92Å; Q593-W595 VanDerWaalsContact O-N 3.13Å; W595-L599 HydrophobicContact CE3-CD1 4.31Å; W595-L599 HydrophobicContact CZ3-CD1 4.06Å; W595-L599 VanDerWaalsContact O-CB 3.25Å; W595-L599 WeakPolarHBondContact O-CB 3.46Å; W595-L599 PolarHBondContact O-N 3.34Å |
| 596 | W | 91.6 | Very high | 90.2 | Very high | 106 Ų | 106 | 79.4 Ų | 79.4 | 40% | 0.402 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.2 | -36.1 | 179.1 | 66.9 | -90.9 | 0 | 0 | 0 | 112.2 | F582 Y589 S594 L600 | F582-W596 HydrophobicContact CE2-CH2 4.5Å; F582-W596 AromaticContact CE2-CZ3 4Å; F582-W596 HydrophobicContact CE2-CZ3 4Å; F582-W596 HydrophobicContact CZ-CH2 4.42Å; F582-W596 AromaticContact CZ-CZ3 3.93Å; F582-W596 HydrophobicContact CZ-CZ3 3.93Å; Y589-W596 AromaticContact CD1-CZ2 3.89Å; Y589-W596 HydrophobicContact CD1-CZ2 3.89Å; Y589-W596 AromaticContact CD2-CH2 3.86Å; Y589-W596 HydrophobicContact CD2-CH2 3.86Å; Y589-W596 AromaticContact CD2-CZ2 3.99Å; Y589-W596 HydrophobicContact CD2-CZ2 3.99Å; Y589-W596 HydrophobicContact CE1-CZ2 4.37Å; Y589-W596 HydrophobicContact CE2-CH2 4.3Å; Y589-W596 HydrophobicContact CE2-CZ2 4.47Å; Y589-W596 HydrophobicContact CG-CH2 4Å; Y589-W596 AromaticContact CG-CZ2 3.68Å; Y589-W596 HydrophobicContact CG-CZ2 3.68Å; S594-W596 PolarHBondContact O-N 3.04Å; S594-W596 VanDerWaalsContact O-N 3.13Å; S594-W596 PolarHBondContact OG-NE1 3.02Å; W596-L600 WeakPolarHBondContact O-CB 3.49Å; W596-L600 PolarHBondContact O-N 3.49Å |
| 597 | A | 90.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -71.4 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F582 I590 S594 L600 V601 | F582-A597 HydrophobicContact CE1-CB 4.09Å; F582-A597 HydrophobicContact CZ-CB 3.82Å; I590-A597 HydrophobicContact CG1-CB 4.39Å; S594-A597 WeakPolarHBondContact O-CB 3.34Å; S594-A597 PolarHBondContact O-N 2.85Å; A597-L600 PolarHBondContact O-N 3.25Å; A597-V601 WeakPolarHBondContact O-CG2 3.37Å; A597-V601 PolarHBondContact O-N 3.46Å |
| 598 | I | 90.3 | Very high | 91 | Very high | 80 Ų | 80 | 81.3 Ų | 81.3 | 41% | 0.41 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 174 | -62.5 | 170.5 | 0 | 0 | 0 | 110.5 | Q593 S594 L600 V601 V602 | Q593-I598 HydrophobicContact CB-CD1 4.31Å; S594-I598 PolarHBondContact O-N 2.71Å; I598-L600 VanDerWaalsContact C-N 3.34Å; I598-L600 PolarHBondContact O-N 2.84Å; I598-V601 PolarHBondContact O-N 2.7Å; I598-V602 WeakPolarHBondContact O-CG2 3.36Å; I598-V602 PolarHBondContact O-N 2.78Å |
| 599 | L | 93.1 | Very high | 91.3 | Very high | 97 Ų | 97 | 79.2 Ų | 79.2 | 51% | 0.508 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 176.6 | -174.1 | 154.9 | 0 | 0 | 0 | 111.6 | W595 V602 L603 | W595-L599 HydrophobicContact CE3-CD1 4.31Å; W595-L599 HydrophobicContact CZ3-CD1 4.06Å; W595-L599 VanDerWaalsContact O-CB 3.25Å; W595-L599 WeakPolarHBondContact O-CB 3.46Å; W595-L599 PolarHBondContact O-N 3.34Å; L599-V602 PolarHBondContact O-N 3.41Å; L599-L603 VanDerWaalsContact O-CB 3.31Å; L599-L603 WeakPolarHBondContact O-CB 3.04Å; L599-L603 PolarHBondContact O-N 3.37Å |
| 600 | L | 92.6 | Very high | 91.4 | Very high | 50 Ų | 50 | 77.3 Ų | 77.3 | 26% | 0.262 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 176.7 | -169.5 | 151.9 | 0 | 0 | 0 | 111.5 | F582 W596 A597 I598 V602 L603 M604 | F582-L600 HydrophobicContact CB-CD2 4.48Å; F582-L600 HydrophobicContact CD1-CD2 3.83Å; F582-L600 HydrophobicContact CD2-CD2 3.91Å; F582-L600 HydrophobicContact CE1-CD2 4.01Å; F582-L600 HydrophobicContact CE2-CD1 4.21Å; F582-L600 HydrophobicContact CE2-CD2 4.08Å; F582-L600 HydrophobicContact CG-CD2 3.78Å; F582-L600 HydrophobicContact CZ-CD2 4.13Å; W596-L600 WeakPolarHBondContact O-CB 3.49Å; W596-L600 PolarHBondContact O-N 3.49Å; A597-L600 PolarHBondContact O-N 3.25Å; I598-L600 VanDerWaalsContact C-N 3.34Å; I598-L600 PolarHBondContact O-N 2.84Å; L600-V602 PolarHBondContact O-N 2.85Å; L600-L603 PolarHBondContact O-N 3.4Å; L600-M604 HydrophobicContact CD2-CE 4.39Å; L600-M604 HydrophobicContact CD2-CG 3.85Å; L600-M604 HydrophobicContact CG-CE 4.49Å; L600-M604 WeakPolarHBondContact O-CB 3.47Å; L600-M604 VanDerWaalsContact O-CG 3.24Å; L600-M604 WeakPolarHBondContact O-CG 3.33Å; L600-M604 PolarHBondContact O-N 3.09Å |
| 601 | V | 92.4 | Very high | 91.6 | Very high | 31 Ų | 31 | 75.5 Ų | 75.5 | 19% | 0.188 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 175.2 | 166.6 | 0 | 0 | 0 | 0 | 111.2 | F579 F582 I583 I590 A597 I598 M604 V605 | F579-V601 HydrophobicContact CE2-CG1 4.33Å; F582-V601 HydrophobicContact CD1-CG2 3.76Å; F582-V601 HydrophobicContact CE1-CG2 3.78Å; I583-V601 HydrophobicContact CD1-CG1 4.24Å; I583-V601 HydrophobicContact CD1-CG2 3.89Å; I590-V601 HydrophobicContact CD1-CG2 4.15Å; A597-V601 WeakPolarHBondContact O-CG2 3.37Å; A597-V601 PolarHBondContact O-N 3.46Å; I598-V601 PolarHBondContact O-N 2.7Å; V601-M604 PolarHBondContact O-N 3.48Å; V601-V605 WeakPolarHBondContact O-CG2 3.35Å; V601-V605 PolarHBondContact O-N 3.36Å |
| 602 | V | 92.9 | Very high | 91.9 | Very high | 78 Ų | 78 | 72.1 Ų | 72.1 | 47% | 0.473 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 177.1 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | I598 L599 L600 M604 V605 L606 | I598-V602 WeakPolarHBondContact O-CG2 3.36Å; I598-V602 PolarHBondContact O-N 2.78Å; L599-V602 PolarHBondContact O-N 3.41Å; L600-V602 PolarHBondContact O-N 2.85Å; V602-M604 PolarHBondContact O-N 3.48Å; V602-V605 PolarHBondContact O-N 3.15Å; V602-L606 HydrophobicContact CG1-CD1 3.99Å; V602-L606 HydrophobicContact CG1-CG 4.47Å; V602-L606 WeakPolarHBondContact O-CB 3.41Å; V602-L606 VanDerWaalsContact O-CG 3.31Å; V602-L606 WeakPolarHBondContact O-CG 3.46Å; V602-L606 PolarHBondContact O-N 3.37Å |
| 603 | L | 94.6 | Very high | 91.8 | Very high | 91 Ų | 91 | 69.2 Ų | 69.2 | 48% | 0.476 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 176.6 | -178.8 | 65.6 | 0 | 0 | 0 | 111.8 | L599 L600 L606 L607 | L599-L603 VanDerWaalsContact O-CB 3.31Å; L599-L603 WeakPolarHBondContact O-CB 3.04Å; L599-L603 PolarHBondContact O-N 3.37Å; L600-L603 PolarHBondContact O-N 3.4Å; L603-L606 PolarHBondContact O-N 2.99Å; L603-L607 WeakPolarHBondContact O-CB 3.44Å; L603-L607 PolarHBondContact O-N 3.31Å |
| 604 | M | 93.7 | Very high | 92 | Very high | 34 Ų | 34 | 64 Ų | 64 | 17% | 0.167 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 177.9 | -68.1 | -65.7 | 149.5 | 0 | 0 | 111.8 | L575 I578 F579 L600 V601 V602 L606 L607 I608 | L575-M604 HydrophobicContact CD1-SD 3.49Å; L575-M604 WeakPolarHBondContact CD1-SD 3.33Å; I578-M604 HydrophobicContact CG2-SD 4.49Å; F579-M604 HydrophobicContact CD2-CB 3.84Å; L600-M604 HydrophobicContact CD2-CE 4.39Å; L600-M604 HydrophobicContact CD2-CG 3.85Å; L600-M604 HydrophobicContact CG-CE 4.49Å; L600-M604 WeakPolarHBondContact O-CB 3.47Å; L600-M604 VanDerWaalsContact O-CG 3.24Å; L600-M604 WeakPolarHBondContact O-CG 3.33Å; L600-M604 PolarHBondContact O-N 3.09Å; V601-M604 PolarHBondContact O-N 3.48Å; V602-M604 PolarHBondContact O-N 3.48Å; M604-L606 VanDerWaalsContact C-N 3.34Å; M604-L606 PolarHBondContact O-N 3.21Å; M604-L607 PolarHBondContact O-N 2.83Å; M604-I608 WeakPolarHBondContact O-CB 3.31Å; M604-I608 VanDerWaalsContact O-CG1 3.3Å; M604-I608 WeakPolarHBondContact O-CG1 3.5Å; M604-I608 PolarHBondContact O-N 3.14Å |
| 605 | V | 93.6 | Very high | 91.8 | Very high | 69 Ų | 69 | 62.7 Ų | 62.7 | 42% | 0.418 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 174.8 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | F579 V601 V602 S609 | F579-V605 HydrophobicContact CE2-CG2 3.66Å; F579-V605 HydrophobicContact CZ-CG2 4Å; V601-V605 WeakPolarHBondContact O-CG2 3.35Å; V601-V605 PolarHBondContact O-N 3.36Å; V602-V605 PolarHBondContact O-N 3.15Å; V605-S609 WeakPolarHBondContact O-CB 3.09Å; V605-S609 PolarHBondContact O-N 3.26Å; V605-S609 PolarHBondContact O-OG 2.94Å |
| 606 | L | 94.1 | Very high | 91.5 | Very high | 99 Ų | 99 | 55.2 Ų | 55.2 | 52% | 0.518 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.1 | -35.4 | 173.4 | -71.5 | 171.2 | 0 | 0 | 0 | 112.1 | V602 L603 M604 S609 T610 | V602-L606 HydrophobicContact CG1-CD1 3.99Å; V602-L606 HydrophobicContact CG1-CG 4.47Å; V602-L606 WeakPolarHBondContact O-CB 3.41Å; V602-L606 VanDerWaalsContact O-CG 3.31Å; V602-L606 WeakPolarHBondContact O-CG 3.46Å; V602-L606 PolarHBondContact O-N 3.37Å; L603-L606 PolarHBondContact O-N 2.99Å; M604-L606 VanDerWaalsContact C-N 3.34Å; M604-L606 PolarHBondContact O-N 3.21Å; L606-S609 WeakPolarHBondContact CA-OG 3.32Å; L606-S609 PolarHBondContact O-OG 2.97Å; L606-T610 WeakPolarHBondContact O-CB 3.27Å; L606-T610 WeakPolarHBondContact O-CG2 3.23Å; L606-T610 PolarHBondContact O-N 3.46Å; L606-T610 PolarHBondContact O-OG1 2.94Å |
| 607 | L | 94.1 | Very high | 91.1 | Very high | 76 Ų | 76 | 53.2 Ų | 53.2 | 40% | 0.398 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -75.3 | -38.3 | 177.8 | -145.5 | 158.8 | 0 | 0 | 0 | 111.4 | L575 L603 M604 T610 L611 | L575-L607 HydrophobicContact CD1-CB 4.48Å; L575-L607 HydrophobicContact CD1-CD2 4.21Å; L575-L607 HydrophobicContact CD2-CB 3.98Å; L575-L607 HydrophobicContact CD2-CD2 3.49Å; L575-L607 VanDerWaalsContact CD2-CD2 3.49Å; L575-L607 HydrophobicContact CD2-CG 4.31Å; L575-L607 HydrophobicContact CG-CD2 4.49Å; L603-L607 WeakPolarHBondContact O-CB 3.44Å; L603-L607 PolarHBondContact O-N 3.31Å; M604-L607 PolarHBondContact O-N 2.83Å; L607-T610 WeakPolarHBondContact CA-OG1 3.3Å; L607-T610 PolarHBondContact O-OG1 3.28Å; L607-T610 VanDerWaalsContact O-OG1 3.14Å; L607-L611 HydrophobicContact CD2-CD1 3.97Å; L607-L611 HydrophobicContact CD2-CG 4.23Å; L607-L611 WeakPolarHBondContact O-CG 3.27Å; L607-L611 PolarHBondContact O-N 3Å |
| 608 | I | 93.6 | Very high | 90.8 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 171.5 | -71.1 | 169.2 | 0 | 0 | 0 | 110.3 | L572 L575 M576 F579 M604 T610 L611 V612 | L572-I608 HydrophobicContact CD1-CG2 4.02Å; L575-I608 HydrophobicContact CD2-CB 4.24Å; L575-I608 HydrophobicContact CD2-CG1 3.46Å; L575-I608 VanDerWaalsContact CD2-CG1 3.46Å; L575-I608 HydrophobicContact CG-CG1 3.75Å; M576-I608 HydrophobicContact CE-CG2 4.18Å; M576-I608 HydrophobicContact CG-CD1 4.38Å; F579-I608 HydrophobicContact CB-CD1 3.89Å; F579-I608 HydrophobicContact CD1-CD1 3.98Å; F579-I608 HydrophobicContact CD2-CD1 4.29Å; F579-I608 HydrophobicContact CG-CD1 3.78Å; M604-I608 WeakPolarHBondContact O-CB 3.31Å; M604-I608 VanDerWaalsContact O-CG1 3.3Å; M604-I608 WeakPolarHBondContact O-CG1 3.5Å; M604-I608 PolarHBondContact O-N 3.14Å; I608-T610 PolarHBondContact O-N 2.95Å; I608-L611 PolarHBondContact O-N 3.05Å; I608-V612 WeakPolarHBondContact O-CG2 3.43Å; I608-V612 PolarHBondContact O-N 3.06Å |
| 609 | S | 91.7 | Very high | 90.4 | Very high | 58 Ų | 58 | 51.7 Ų | 51.7 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.2 | -32.3 | -177.7 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | V605 L606 F613 | V605-S609 WeakPolarHBondContact O-CB 3.09Å; V605-S609 PolarHBondContact O-N 3.26Å; V605-S609 PolarHBondContact O-OG 2.94Å; L606-S609 WeakPolarHBondContact CA-OG 3.32Å; L606-S609 PolarHBondContact O-OG 2.97Å; S609-F613 VanDerWaalsContact O-CB 3.26Å; S609-F613 WeakPolarHBondContact O-CB 3.48Å; S609-F613 PolarHBondContact O-N 3.34Å |
| 610 | T | 91.5 | Very high | 89.7 | Confident | 76 Ų | 76 | 50.8 Ų | 50.8 | 47% | 0.466 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.9 | -37.8 | 172.2 | 47.8 | 0 | 0 | 0 | 0 | 112.7 | L606 L607 I608 F613 V614 | L606-T610 WeakPolarHBondContact O-CB 3.27Å; L606-T610 WeakPolarHBondContact O-CG2 3.23Å; L606-T610 PolarHBondContact O-N 3.46Å; L606-T610 PolarHBondContact O-OG1 2.94Å; L607-T610 WeakPolarHBondContact CA-OG1 3.3Å; L607-T610 PolarHBondContact O-OG1 3.28Å; L607-T610 VanDerWaalsContact O-OG1 3.14Å; I608-T610 PolarHBondContact O-N 2.95Å; T610-F613 PolarHBondContact O-N 2.93Å; T610-V614 WeakPolarHBondContact O-CG2 3.33Å; T610-V614 PolarHBondContact O-N 2.93Å |
| 611 | L | 91.8 | Very high | 88.7 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 9% | 0.094 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 171.7 | -75.3 | 175.1 | 0 | 0 | 0 | 112.4 | C568 L571 L572 L575 L607 I608 F613 V614 I615 | C568-L611 HydrophobicContact CB-CD2 4.3Å; L571-L611 HydrophobicContact CB-CD1 3.99Å; L571-L611 HydrophobicContact CB-CD2 4.45Å; L572-L611 HydrophobicContact CB-CD1 4.27Å; L572-L611 HydrophobicContact CD1-CB 4.12Å; L572-L611 HydrophobicContact CD1-CD1 4.44Å; L575-L611 HydrophobicContact CD2-CD1 3.7Å; L607-L611 HydrophobicContact CD2-CD1 3.97Å; L607-L611 HydrophobicContact CD2-CG 4.23Å; L607-L611 WeakPolarHBondContact O-CG 3.27Å; L607-L611 PolarHBondContact O-N 3Å; I608-L611 PolarHBondContact O-N 3.05Å; L611-F613 VanDerWaalsContact C-N 3.26Å; L611-F613 PolarHBondContact O-N 2.97Å; L611-V614 PolarHBondContact O-N 3.13Å; L611-I615 WeakPolarHBondContact O-CG1 3.38Å; L611-I615 PolarHBondContact O-N 3.13Å |
| 612 | V | 89.9 | Confident | 87.2 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 10% | 0.097 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.4 | -37.6 | 174.2 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | L572 I608 I615 L616 P633 F634 A637 | L572-V612 HydrophobicContact CD1-CG2 3.99Å; L572-V612 HydrophobicContact CD2-CG2 4.02Å; I608-V612 WeakPolarHBondContact O-CG2 3.43Å; I608-V612 PolarHBondContact O-N 3.06Å; V612-I615 PolarHBondContact O-N 3.39Å; V612-L616 HydrophobicContact CG1-CD1 4.29Å; V612-L616 PolarHBondContact O-N 3.35Å; V612-P633 HydrophobicContact CG1-CG 4.09Å; V612-F634 HydrophobicContact CG1-CD1 4.18Å; V612-F634 HydrophobicContact CG1-CE1 4.03Å; V612-A637 HydrophobicContact CG2-CB 4.39Å |
| 613 | F | 88.9 | Confident | 85.9 | Confident | 76 Ų | 76 | 50.3 Ų | 50.3 | 33% | 0.333 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.8 | -39.2 | 175.9 | -175.6 | -113.8 | 0 | 0 | 0 | 113.3 | L548 S609 T610 L611 I615 L616 Q617 | L548-F613 HydrophobicContact CB-CE2 4.21Å; L548-F613 HydrophobicContact CB-CZ 4.34Å; L548-F613 HydrophobicContact CD2-CE2 3.92Å; L548-F613 HydrophobicContact CD2-CZ 4.11Å; L548-F613 VanDerWaalsContact O-CZ 3.26Å; L548-F613 WeakPolarHBondContact O-CZ 3.49Å; S609-F613 VanDerWaalsContact O-CB 3.26Å; S609-F613 WeakPolarHBondContact O-CB 3.48Å; S609-F613 PolarHBondContact O-N 3.34Å; T610-F613 PolarHBondContact O-N 2.93Å; L611-F613 VanDerWaalsContact C-N 3.26Å; L611-F613 PolarHBondContact O-N 2.97Å; F613-I615 VanDerWaalsContact C-N 3.31Å; F613-I615 PolarHBondContact O-N 2.87Å; F613-L616 WeakPolarHBondContact O-CB 3.25Å; F613-L616 PolarHBondContact O-N 2.98Å; F613-Q617 HydrophobicContact CE1-CG 4.5Å; F613-Q617 VanDerWaalsContact CE1-NE2 3.3Å; F613-Q617 HydrophobicContact CZ-CG 4.42Å; F613-Q617 WeakPolarHBondContact O-CG 3.29Å; F613-Q617 PolarHBondContact O-N 3.48Å |
| 614 | V | 88.2 | Confident | 84.5 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 29% | 0.285 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 173.8 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | T610 L611 Q617 Q618 | T610-V614 WeakPolarHBondContact O-CG2 3.33Å; T610-V614 PolarHBondContact O-N 2.93Å; L611-V614 PolarHBondContact O-N 3.13Å; V614-Q617 PolarHBondContact O-N 3.21Å; V614-Q618 WeakPolarHBondContact O-CG 3.18Å |
| 615 | I | 86.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 174.5 | -65.3 | 163.5 | 0 | 0 | 0 | 110.9 | L427 Y431 C568 V569 L572 L611 V612 F613 Q617 Q618 P633 | L427-I615 HydrophobicContact CD1-CG2 4.34Å; Y431-I615 HydrophobicContact CD2-CG2 4.38Å; Y431-I615 HydrophobicContact CE2-CG2 3.64Å; C568-I615 HydrophobicContact CB-CD1 4.08Å; C568-I615 HydrophobicContact CB-CG1 3.79Å; V569-I615 HydrophobicContact CG2-CD1 3.82Å; L572-I615 HydrophobicContact CD2-CD1 4.14Å; L611-I615 WeakPolarHBondContact O-CG1 3.38Å; L611-I615 PolarHBondContact O-N 3.13Å; V612-I615 PolarHBondContact O-N 3.39Å; F613-I615 VanDerWaalsContact C-N 3.31Å; F613-I615 PolarHBondContact O-N 2.87Å; I615-Q617 PolarHBondContact O-N 3.38Å; I615-Q618 PolarHBondContact O-N 3.29Å; I615-Q618 VanDerWaalsContact O-N 3.09Å; I615-P633 HydrophobicContact CG2-CB 3.84Å; I615-P633 HydrophobicContact CG2-CG 4.08Å |
| 616 | L | 85.3 | Confident | 82.2 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 20% | 0.199 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.8 | -24.7 | 174.2 | -84.1 | 159.4 | 0 | 0 | 0 | 114.4 | L550 P551 V612 F613 P633 F634 | L550-L616 HydrophobicContact CD2-CB 3.95Å; L550-L616 WeakPolarHBondContact CD2-O 3.27Å; P551-L616 WeakPolarHBondContact CD-O 3.46Å; V612-L616 HydrophobicContact CG1-CD1 4.29Å; V612-L616 PolarHBondContact O-N 3.35Å; F613-L616 WeakPolarHBondContact O-CB 3.25Å; F613-L616 PolarHBondContact O-N 2.98Å; L616-P633 HydrophobicContact CD1-CG 4.48Å; L616-P633 HydrophobicContact CD2-CG 4.28Å; L616-P633 HydrophobicContact CG-CG 3.85Å; L616-F634 HydrophobicContact CD1-CE1 4.17Å; L616-F634 HydrophobicContact CD1-CE2 4.04Å; L616-F634 HydrophobicContact CD1-CZ 3.53Å; L616-F634 HydrophobicContact CD2-CE2 4.11Å; L616-F634 HydrophobicContact CD2-CZ 4.44Å |
| 617 | Q | 83.8 | Confident | 81.5 | Confident | 64 Ų | 64 | 51 Ų | 51 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -9.4 | 177.3 | -69.9 | -178.4 | -32.5 | 0 | 0 | 113.6 | L548 F613 V614 I615 | L548-Q617 PolarHBondContact O-NE2 2.84Å; F613-Q617 HydrophobicContact CE1-CG 4.5Å; F613-Q617 VanDerWaalsContact CE1-NE2 3.3Å; F613-Q617 HydrophobicContact CZ-CG 4.42Å; F613-Q617 WeakPolarHBondContact O-CG 3.29Å; F613-Q617 PolarHBondContact O-N 3.48Å; V614-Q617 PolarHBondContact O-N 3.21Å; I615-Q617 PolarHBondContact O-N 3.38Å |
| 618 | Q | 84.5 | Confident | 80.7 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -86.7 | 143 | -180 | -56.4 | -56.1 | -48.3 | 0 | 0 | 111.4 | Y431 V565 V614 I615 E620 | Y431-Q618 HydrophobicContact CD1-CB 3.8Å; Y431-Q618 HydrophobicContact CE1-CB 4.2Å; Y431-Q618 VanDerWaalsContact CE1-O 3.29Å; Y431-Q618 WeakPolarHBondContact CE1-O 3.4Å; V565-Q618 HydrophobicContact CG2-CB 3.7Å; V565-Q618 HydrophobicContact CG2-CG 3.52Å; V614-Q618 WeakPolarHBondContact O-CG 3.18Å; I615-Q618 PolarHBondContact O-N 3.29Å; I615-Q618 VanDerWaalsContact O-N 3.09Å; Q618-E620 PolarHBondContact O-N 3.48Å |
| 619 | P | 80.3 | Confident | 79.9 | Confident | 14 Ų | 14 | 49.5 Ų | 49.5 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 125.2 | 179.3 | 26.4 | -34.2 | 0 | 0 | 0 | 112.2 | P551 D555 R556 T561 | P551-P619 HydrophobicContact CB-CB 4.17Å; D555-P619 HydrophobicContact CB-CB 3.93Å; R556-P619 WeakPolarHBondContact O-CG 3.47Å; T561-P619 HydrophobicContact CG2-CG 4.2Å |
| 620 | E | 79.1 | Confident | 79.3 | Confident | 79 Ų | 79 | 48.7 Ų | 48.7 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 150.5 | 174.6 | -72.2 | -177.5 | -147.9 | 0 | 0 | 112.1 | R430 Y431 Q618 | R430-E620 IonicContact NH1-OE2 2.64Å; R430-E620 CarbonylContact O-C 3.56Å; R430-E620 WeakPolarHBondContact O-CA 3.39Å; Y431-E620 HydrophobicContact CD1-CG 4.1Å; Y431-E620 HydrophobicContact CE1-CB 4.45Å; Y431-E620 HydrophobicContact CE1-CG 3.45Å; Y431-E620 VanDerWaalsContact CE1-CG 3.45Å; Q618-E620 PolarHBondContact O-N 3.48Å |
| 621 | N | 71.8 | Confident | 78.7 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -67 | 124.4 | 173.2 | -170.9 | -57.1 | 0 | 0 | 0 | 110.7 | R430 Q432 P557 K623 | R430-N621 PolarHBondContact O-N 3.35Å; Q432-N621 PolarHBondContact O-ND2 3.15Å; P557-N621 HydrophobicContact CG-CB 4.16Å; N621-K623 VanDerWaalsContact C-N 3.29Å; N621-K623 PolarHBondContact O-N 3.47Å; N621-K623 WeakPolarHBondContact OD1-CB 3.09Å; N621-K623 PolarHBondContact OD1-N 2.88Å; N621-K623 VanDerWaalsContact OD1-N 3.12Å |
| 622 | P | 62 | Low | 78 | Confident | 72 Ų | 72 | 48.3 Ų | 48.3 | 47% | 0.468 | 25% | 0.253 | S | S | . | . | trans | -77.7 | -5.2 | -171.3 | 31.7 | -37.1 | 0 | 0 | 0 | 115 | K624 | P622-K624 PolarHBondContact O-N 3.32Š| ||
| 623 | K | 65.3 | Low | 77.7 | Confident | 61 Ų | 61 | 47.6 Ų | 47.6 | 27% | 0.265 | 25% | 0.249 | S | C | . | . | trans | -64.8 | 97.9 | -175.4 | -177.5 | 179.3 | 173.2 | -177.4 | 0 | 111.9 | I437 V441 N621 L625 M628 | I437-K623 HydrophobicContact CG2-CD 4.2Å; I437-K623 VanDerWaalsContact CG2-NZ 3.31Å; V441-K623 HydrophobicContact CG2-CD 4.24Å; N621-K623 VanDerWaalsContact C-N 3.29Å; N621-K623 PolarHBondContact O-N 3.47Å; N621-K623 WeakPolarHBondContact OD1-CB 3.09Å; N621-K623 PolarHBondContact OD1-N 2.88Å; N621-K623 VanDerWaalsContact OD1-N 3.12Å; K623-L625 PolarHBondContact O-N 2.96Å; K623-M628 WeakPolarHBondContact O-CE 3.24Å | ||
| 624 | K | 64.4 | Low | 77.6 | Confident | 138 Ų | 138 | 49.4 Ų | 49.4 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | trans | -59 | 126.9 | 175.2 | -62.6 | -175.4 | -177.8 | -178.9 | 0 | 110.1 | D523 S525 P622 | D523-K624 IonicContact OD1-NZ 3.37Å; D523-K624 PolarHBondContact OD1-NZ 3.28Å; D523-K624 IonicContact OD2-NZ 2.66Å; D523-K624 PolarHBondContact OD2-NZ 3.07Å; S525-K624 PolarHBondContact OG-NZ 2.79Å; P622-K624 PolarHBondContact O-N 3.32Å | ||
| 625 | L | 68.2 | Low | 77.6 | Confident | 36 Ų | 36 | 48.2 Ų | 48.2 | 19% | 0.188 | 25% | 0.249 | C | C | . | . | trans | -107.9 | 155.4 | 176.6 | -69.7 | 164.6 | 0 | 0 | 0 | 110.3 | E107 R111 K623 Y627 M628 | E107-L625 HydrophobicContact CG-CD1 4.31Å; R111-L625 HydrophobicContact CG-CD1 3.56Å; R111-L625 HydrophobicContact CG-CD2 4.21Å; K623-L625 PolarHBondContact O-N 2.96Å; L625-Y627 WeakPolarHBondContact CB-O 3.3Å; L625-Y627 PolarHBondContact O-N 3.35Å; L625-Y627 VanDerWaalsContact O-N 3.15Å; L625-M628 HydrophobicContact CB-CE 4.12Å; L625-M628 HydrophobicContact CB-CG 3.95Å; L625-M628 HydrophobicContact CD1-CE 4.03Å; L625-M628 HydrophobicContact CD1-CG 4.48Å; L625-M628 HydrophobicContact CG-CE 4.05Å | ||
| 626 | P | 70.1 | Confident | 77.7 | Confident | 79 Ų | 79 | 48.2 Ų | 48.2 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -57.1 | -27.3 | 177 | -25.7 | 33.8 | 0 | 0 | 0 | 114.7 | V110 N282 | V110-P626 HydrophobicContact CG1-CB 3.86Å; V110-P626 HydrophobicContact CG1-CG 3.92Å; N282-P626 HydrophobicContact CB-CB 4.01Å; N282-P626 HydrophobicContact CB-CG 3.98Å |
| 627 | Y | 79.8 | Confident | 78 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 22% | 0.216 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -139.3 | 148.2 | 165.9 | -179.5 | -89 | 0 | 0 | 0 | 109.9 | A106 E107 P286 L625 | A106-Y627 HydrophobicContact CB-CD1 3.92Å; A106-Y627 HydrophobicContact CB-CE1 3.48Å; A106-Y627 VanDerWaalsContact CB-CE1 3.48Å; E107-Y627 HydrophobicContact CB-CD1 4.19Å; E107-Y627 HydrophobicContact CB-CE1 4.45Å; P286-Y627 HydrophobicContact CB-CD1 4.06Å; P286-Y627 HydrophobicContact CB-CD2 3.48Å; P286-Y627 VanDerWaalsContact CB-CD2 3.48Å; P286-Y627 HydrophobicContact CB-CE1 4.47Å; P286-Y627 HydrophobicContact CB-CE2 3.92Å; P286-Y627 HydrophobicContact CB-CG 3.54Å; P286-Y627 VanDerWaalsContact CG-CB 3.46Å; P286-Y627 HydrophobicContact CG-CD1 4.17Å; P286-Y627 HydrophobicContact CG-CD2 4.05Å; P286-Y627 HydrophobicContact CG-CG 3.63Å; L625-Y627 WeakPolarHBondContact CB-O 3.3Å; L625-Y627 PolarHBondContact O-N 3.35Å; L625-Y627 VanDerWaalsContact O-N 3.15Å |
| 628 | M | 77.1 | Confident | 78.3 | Confident | 60 Ų | 60 | 48.6 Ų | 48.6 | 30% | 0.296 | 25% | 0.25 | S | C | . | . | trans | -145 | 132.5 | -177.9 | -82.7 | -168.3 | 150.9 | 0 | 0 | 109.2 | R430 K623 L625 | R430-M628 VanDerWaalsContact NH2-CB 3.32Å; K623-M628 WeakPolarHBondContact O-CE 3.24Å; L625-M628 HydrophobicContact CB-CE 4.12Å; L625-M628 HydrophobicContact CB-CG 3.95Å; L625-M628 HydrophobicContact CD1-CE 4.03Å; L625-M628 HydrophobicContact CD1-CG 4.48Å; L625-M628 HydrophobicContact CG-CE 4.05Å | ||
| 629 | A | 76.9 | Confident | 78.7 | Confident | 5 Ų | 5 | 47 Ų | 47 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | trans | -59.5 | 125.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V103 E107 L632 | V103-A629 HydrophobicContact CG1-CB 3.81Å; E107-A629 HydrophobicContact CB-CB 4.45Å; E107-A629 WeakPolarHBondContact OE2-CB 3.46Å; E107-A629 PolarHBondContact OE2-N 3.24Å; A629-L632 HydrophobicContact CB-CD1 4.41Å | ||
| 630 | P | 79.2 | Confident | 79.2 | Confident | 41 Ų | 41 | 46.3 Ų | 46.3 | 27% | 0.266 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -71.9 | 158.6 | 176.8 | 30.7 | -35.7 | 0 | 0 | 0 | 111.3 | L632 V635 | P630-L632 PolarHBondContact O-N 3.04Å; P630-V635 VanDerWaalsContact O-CG2 3.27Å; P630-V635 WeakPolarHBondContact O-CG2 3.36Å |
| 631 | C | 79.6 | Confident | 79.9 | Confident | 71 Ų | 71 | 44.6 Ų | 44.6 | 48% | 0.48 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 53.8 | 48.5 | 170.8 | -59.2 | 0 | 0 | 0 | 0 | 114.3 | F634 V635 | C631-F634 WeakPolarHBondContact O-CA 3.49Å; C631-F634 WeakPolarHBondContact O-CB 3.37Å; C631-F634 PolarHBondContact O-N 3.4Å; C631-V635 HydrophobicContact CB-CG2 4.06Å; C631-V635 PolarHBondContact O-N 3.41Å |
| 632 | L | 76.6 | Confident | 80.8 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 152.6 | 161.8 | -120.7 | 103.4 | 0 | 0 | 0 | 110.8 | L427 R430 Y431 A629 P630 P636 | L427-L632 HydrophobicContact CD1-CD2 3.88Å; L427-L632 HydrophobicContact CD1-CG 4.47Å; R430-L632 HydrophobicContact CB-CD2 3.49Å; R430-L632 VanDerWaalsContact CB-CD2 3.49Å; R430-L632 HydrophobicContact CG-CD1 3.99Å; R430-L632 HydrophobicContact CG-CD2 3.54Å; R430-L632 HydrophobicContact CG-CG 4.42Å; Y431-L632 HydrophobicContact CE2-CD2 3.84Å; A629-L632 HydrophobicContact CB-CD1 4.41Å; P630-L632 PolarHBondContact O-N 3.04Å; L632-P636 HydrophobicContact CD1-CG 4.34Å; L632-P636 HydrophobicContact CG-CG 4.42Å |
| 633 | P | 82.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -77.9 | -0.6 | -15.1 | 36.6 | -37.4 | 0 | 0 | 0 | 112.9 | L427 V612 I615 L616 V635 P636 A637 | L427-P633 HydrophobicContact CD1-CB 3.51Å; V612-P633 HydrophobicContact CG1-CG 4.09Å; I615-P633 HydrophobicContact CG2-CB 3.84Å; I615-P633 HydrophobicContact CG2-CG 4.08Å; L616-P633 HydrophobicContact CD1-CG 4.48Å; L616-P633 HydrophobicContact CD2-CG 4.28Å; L616-P633 HydrophobicContact CG-CG 3.85Å; P633-V635 PolarHBondContact O-N 3.13Å; P633-P636 WeakPolarHBondContact O-CD 3.49Å; P633-A637 VanDerWaalsContact O-CB 3.26Å; P633-A637 WeakPolarHBondContact O-CB 3.29Å; P633-A637 PolarHBondContact O-N 3.11Å |
| 634 | F | 88.1 | Confident | 83.6 | Confident | 113 Ų | 113 | 38.6 Ų | 38.6 | 50% | 0.496 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.7 | -41.1 | -169.8 | -56.4 | -80.8 | 0 | 0 | 0 | 114.5 | V612 L616 C631 A637 F638 | V612-F634 HydrophobicContact CG1-CD1 4.18Å; V612-F634 HydrophobicContact CG1-CE1 4.03Å; L616-F634 HydrophobicContact CD1-CE1 4.17Å; L616-F634 HydrophobicContact CD1-CE2 4.04Å; L616-F634 HydrophobicContact CD1-CZ 3.53Å; L616-F634 HydrophobicContact CD2-CE2 4.11Å; L616-F634 HydrophobicContact CD2-CZ 4.44Å; C631-F634 WeakPolarHBondContact O-CA 3.49Å; C631-F634 WeakPolarHBondContact O-CB 3.37Å; C631-F634 PolarHBondContact O-N 3.4Å; F634-A637 PolarHBondContact O-N 3.28Å; F634-F638 VanDerWaalsContact O-CB 3.31Å; F634-F638 WeakPolarHBondContact O-CB 3.38Å; F634-F638 PolarHBondContact O-N 3.42Å |
| 635 | V | 88.3 | Confident | 84.9 | Confident | 22 Ų | 22 | 34.1 Ų | 34.1 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.5 | -52.5 | -179 | 166.6 | 0 | 0 | 0 | 0 | 111.8 | L100 V103 P630 C631 P633 A637 F638 A639 | L100-V635 HydrophobicContact CD2-CG1 4.14Å; L100-V635 HydrophobicContact CD2-CG2 4.49Å; V103-V635 HydrophobicContact CG1-CG1 4.03Å; P630-V635 VanDerWaalsContact O-CG2 3.27Å; P630-V635 WeakPolarHBondContact O-CG2 3.36Å; C631-V635 HydrophobicContact CB-CG2 4.06Å; C631-V635 PolarHBondContact O-N 3.41Å; P633-V635 PolarHBondContact O-N 3.13Å; V635-A637 VanDerWaalsContact C-N 3.33Å; V635-A637 PolarHBondContact O-N 3.42Å; V635-F638 PolarHBondContact O-N 3.27Å; V635-A639 WeakPolarHBondContact O-CB 3.43Å; V635-A639 PolarHBondContact O-N 3.48Å |
| 636 | P | 88.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.1 | -40.6 | 170.8 | -26.3 | 34.4 | 0 | 0 | 0 | 113.6 | L427 L632 P633 F638 A639 M640 | L427-P636 HydrophobicContact CB-CB 4.22Å; L632-P636 HydrophobicContact CD1-CG 4.34Å; L632-P636 HydrophobicContact CG-CG 4.42Å; P633-P636 WeakPolarHBondContact O-CD 3.49Å; P636-F638 PolarHBondContact O-N 3.2Å; P636-A639 PolarHBondContact O-N 3.5Å; P636-M640 WeakPolarHBondContact O-CG 3.26Å; P636-M640 PolarHBondContact O-N 3.49Å |
| 637 | A | 90.7 | Very high | 86.7 | Confident | 6 Ų | 6 | 29 Ų | 29 | 5% | 0.05 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L572 M576 V612 P633 F634 V635 M640 L641 | L572-A637 HydrophobicContact CD2-CB 4.42Å; M576-A637 HydrophobicContact CE-CB 4.21Å; M576-A637 VanDerWaalsContact CE-O 3.26Å; M576-A637 WeakPolarHBondContact CE-O 3.33Å; V612-A637 HydrophobicContact CG2-CB 4.39Å; P633-A637 VanDerWaalsContact O-CB 3.26Å; P633-A637 WeakPolarHBondContact O-CB 3.29Å; P633-A637 PolarHBondContact O-N 3.11Å; F634-A637 PolarHBondContact O-N 3.28Å; V635-A637 VanDerWaalsContact C-N 3.33Å; V635-A637 PolarHBondContact O-N 3.42Å; A637-M640 HydrophobicContact CB-CE 4.47Å; A637-L641 PolarHBondContact O-N 3.21Å; A637-L641 VanDerWaalsContact O-N 3.11Å |
| 638 | F | 91.5 | Very high | 87.1 | Confident | 104 Ų | 104 | 27.1 Ų | 27.1 | 46% | 0.456 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -75.2 | -35.6 | 177.6 | -169.7 | -130.5 | 0 | 0 | 0 | 112 | L100 F634 V635 P636 L641 V642 | L100-F638 HydrophobicContact CD1-CD1 3.31Å; L100-F638 HydrophobicContact CD1-CE1 3.61Å; L100-F638 HydrophobicContact CD1-CG 4.26Å; L100-F638 HydrophobicContact CD2-CD1 4.11Å; L100-F638 HydrophobicContact CG-CD1 4.36Å; F634-F638 VanDerWaalsContact O-CB 3.31Å; F634-F638 WeakPolarHBondContact O-CB 3.38Å; F634-F638 PolarHBondContact O-N 3.42Å; V635-F638 PolarHBondContact O-N 3.27Å; P636-F638 PolarHBondContact O-N 3.2Å; F638-L641 PolarHBondContact O-N 3.3Å; F638-V642 HydrophobicContact CD2-CG2 4.04Å; F638-V642 HydrophobicContact CE1-CG2 4.28Å; F638-V642 HydrophobicContact CE2-CG2 3.68Å; F638-V642 HydrophobicContact CG-CG2 4.47Å; F638-V642 HydrophobicContact CZ-CG2 3.81Å; F638-V642 WeakPolarHBondContact O-CG2 3.38Å; F638-V642 PolarHBondContact O-N 3.44Å |
| 639 | A | 91.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58 | -47.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | L100 V635 P636 L641 V642 N643 | L100-A639 HydrophobicContact CB-CB 3.98Å; V635-A639 WeakPolarHBondContact O-CB 3.43Å; V635-A639 PolarHBondContact O-N 3.48Å; P636-A639 PolarHBondContact O-N 3.5Å; A639-L641 PolarHBondContact O-N 3.03Å; A639-V642 PolarHBondContact O-N 2.89Å; A639-N643 VanDerWaalsContact O-CB 3.3Å; A639-N643 WeakPolarHBondContact O-CB 3.48Å; A639-N643 PolarHBondContact O-N 3.07Å; A639-N643 PolarHBondContact O-ND2 3.17Å |
| 640 | M | 92.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.3 | -50.7 | 175.4 | -73.2 | -172.8 | -66.1 | 0 | 0 | 112 | V424 L427 L572 M576 P636 A637 V642 N643 I644 | V424-M640 HydrophobicContact CG2-SD 3.41Å; V424-M640 WeakPolarHBondContact CG2-SD 3.43Å; L427-M640 HydrophobicContact CD2-CE 3.93Å; L572-M640 HydrophobicContact CD2-CE 4.07Å; M576-M640 HydrophobicContact SD-CB 3.94Å; P636-M640 WeakPolarHBondContact O-CG 3.26Å; P636-M640 PolarHBondContact O-N 3.49Å; A637-M640 HydrophobicContact CB-CE 4.47Å; M640-V642 PolarHBondContact O-N 3.36Å; M640-N643 PolarHBondContact O-N 3.02Å; M640-I644 WeakPolarHBondContact O-CB 3.31Å; M640-I644 WeakPolarHBondContact O-CD1 3.11Å; M640-I644 WeakPolarHBondContact O-CG1 3.46Å; M640-I644 PolarHBondContact O-N 2.99Å |
| 641 | L | 93.3 | Very high | 88.1 | Confident | 42 Ų | 42 | 27.8 Ų | 27.8 | 22% | 0.22 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60 | -46.3 | -178.5 | -175.4 | 151.7 | 0 | 0 | 0 | 112.4 | M576 F579 A637 F638 A639 Y645 | M576-L641 HydrophobicContact CE-CB 4.09Å; M576-L641 HydrophobicContact CE-CD1 4.38Å; M576-L641 HydrophobicContact SD-CB 4Å; F579-L641 HydrophobicContact CE1-CD1 4.37Å; A637-L641 PolarHBondContact O-N 3.21Å; A637-L641 VanDerWaalsContact O-N 3.11Å; F638-L641 PolarHBondContact O-N 3.3Å; A639-L641 PolarHBondContact O-N 3.03Å; L641-Y645 WeakPolarHBondContact O-CB 3.49Å; L641-Y645 PolarHBondContact O-N 2.97Å |
| 642 | V | 91.4 | Very high | 88.3 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 13% | 0.127 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.6 | -42.8 | -179.1 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | A97 F638 A639 M640 I644 Y645 L646 | A97-V642 HydrophobicContact CB-CB 4.49Å; A97-V642 HydrophobicContact CB-CG1 3.5Å; F638-V642 HydrophobicContact CD2-CG2 4.04Å; F638-V642 HydrophobicContact CE1-CG2 4.28Å; F638-V642 HydrophobicContact CE2-CG2 3.68Å; F638-V642 HydrophobicContact CG-CG2 4.47Å; F638-V642 HydrophobicContact CZ-CG2 3.81Å; F638-V642 WeakPolarHBondContact O-CG2 3.38Å; F638-V642 PolarHBondContact O-N 3.44Å; A639-V642 PolarHBondContact O-N 2.89Å; M640-V642 PolarHBondContact O-N 3.36Å; V642-I644 PolarHBondContact O-N 3.26Å; V642-Y645 PolarHBondContact O-N 3.37Å; V642-L646 HydrophobicContact CG1-CD1 4.15Å; V642-L646 HydrophobicContact CG1-CG 4.4Å; V642-L646 WeakPolarHBondContact O-CG 3.27Å; V642-L646 PolarHBondContact O-N 3.47Å |
| 643 | N | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | -179.7 | -66.5 | -11.5 | 0 | 0 | 0 | 111.9 | S101 L416 Y419 T420 A639 M640 L646 M647 | S101-N643 PolarHBondContact OG-ND2 3.07Å; L416-N643 HydrophobicContact CD2-CB 3.87Å; Y419-N643 WeakPolarHBondContact CB-ND2 3.35Å; T420-N643 HydrophobicContact CG2-CB 3.57Å; A639-N643 VanDerWaalsContact O-CB 3.3Å; A639-N643 WeakPolarHBondContact O-CB 3.48Å; A639-N643 PolarHBondContact O-N 3.07Å; A639-N643 PolarHBondContact O-ND2 3.17Å; M640-N643 PolarHBondContact O-N 3.02Å; N643-L646 PolarHBondContact O-N 3.35Å; N643-M647 VanDerWaalsContact O-CB 3.29Å; N643-M647 WeakPolarHBondContact O-CB 3.23Å; N643-M647 PolarHBondContact O-N 3.05Å |
| 644 | I | 92.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 172.3 | -71.3 | 168.3 | 0 | 0 | 0 | 111.1 | T420 F573 M576 F577 C580 M640 V642 M647 L648 | T420-I644 HydrophobicContact CG2-CG1 3.96Å; F573-I644 HydrophobicContact CD2-CD1 3.95Å; F573-I644 HydrophobicContact CE2-CD1 3.98Å; F573-I644 HydrophobicContact CE2-CG1 4.46Å; M576-I644 HydrophobicContact CB-CD1 3.84Å; F577-I644 HydrophobicContact CB-CG2 4.42Å; F577-I644 HydrophobicContact CD2-CG2 4.07Å; C580-I644 HydrophobicContact CB-CG2 3.8Å; M640-I644 WeakPolarHBondContact O-CB 3.31Å; M640-I644 WeakPolarHBondContact O-CD1 3.11Å; M640-I644 WeakPolarHBondContact O-CG1 3.46Å; M640-I644 PolarHBondContact O-N 2.99Å; V642-I644 PolarHBondContact O-N 3.26Å; I644-M647 PolarHBondContact O-N 2.91Å; I644-L648 HydrophobicContact CG2-CD1 4.03Å; I644-L648 WeakPolarHBondContact O-CG 3.31Å; I644-L648 PolarHBondContact O-N 3.41Å; I644-L648 VanDerWaalsContact O-N 3.13Å |
| 645 | Y | 91.8 | Very high | 88.4 | Confident | 45 Ų | 45 | 32 Ų | 32 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 178.1 | -179.1 | -87.1 | 0 | 0 | 0 | 112.4 | L255 I583 I584 L641 V642 L648 K649 | L255-Y645 HydrophobicContact CB-CE1 4.47Å; L255-Y645 HydrophobicContact CD2-CE1 4.16Å; I583-Y645 HydrophobicContact CG2-CE2 4.18Å; I584-Y645 HydrophobicContact CD1-CD2 3.88Å; I584-Y645 HydrophobicContact CD1-CE2 3.86Å; I584-Y645 HydrophobicContact CD1-CG 4.44Å; I584-Y645 HydrophobicContact CG1-CD2 4.25Å; I584-Y645 HydrophobicContact CG1-CE2 3.79Å; L641-Y645 WeakPolarHBondContact O-CB 3.49Å; L641-Y645 PolarHBondContact O-N 2.97Å; V642-Y645 PolarHBondContact O-N 3.37Å; Y645-L648 PolarHBondContact O-N 3.35Å; Y645-K649 HydrophobicContact CE1-CG 4.01Å; Y645-K649 PolarHBondContact O-N 3.34Å; Y645-K649 VanDerWaalsContact OH-CE 3.3Å; Y645-K649 WeakPolarHBondContact OH-CE 3.27Å |
| 646 | L | 88.6 | Confident | 88.4 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | 178.5 | -64.4 | 176.4 | 0 | 0 | 0 | 111.5 | A97 A258 A259 F262 L416 V642 N643 L648 K649 | A97-L646 HydrophobicContact CB-CD1 3.98Å; A258-L646 HydrophobicContact CB-CD2 4.18Å; A259-L646 HydrophobicContact CB-CB 4.23Å; A259-L646 HydrophobicContact CB-CD2 4.1Å; F262-L646 HydrophobicContact CD2-CD1 4.05Å; L416-L646 HydrophobicContact CD1-CB 3.99Å; L416-L646 HydrophobicContact CD2-CB 4.2Å; L416-L646 HydrophobicContact CD2-CD1 4.37Å; V642-L646 HydrophobicContact CG1-CD1 4.15Å; V642-L646 HydrophobicContact CG1-CG 4.4Å; V642-L646 WeakPolarHBondContact O-CG 3.27Å; V642-L646 PolarHBondContact O-N 3.47Å; N643-L646 PolarHBondContact O-N 3.35Å; L646-L648 VanDerWaalsContact C-N 3.3Å; L646-L648 PolarHBondContact O-N 3.08Å; L646-K649 PolarHBondContact O-N 3.49Å |
| 647 | M | 88.3 | Confident | 88.3 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 3% | 0.034 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.1 | -37.8 | 178.1 | -169.1 | -165.5 | -64 | 0 | 0 | 112.5 | I413 L416 L417 N643 I644 K649 L650 W655 | I413-M647 HydrophobicContact CD1-CG 4.44Å; I413-M647 HydrophobicContact CG1-CG 3.99Å; L416-M647 HydrophobicContact CB-CB 4.37Å; L416-M647 HydrophobicContact CB-CE 3.95Å; L416-M647 HydrophobicContact CD1-CB 4.13Å; L417-M647 HydrophobicContact CB-CE 3.79Å; L417-M647 HydrophobicContact CD1-CE 3.91Å; L417-M647 HydrophobicContact CG-CE 4.46Å; N643-M647 VanDerWaalsContact O-CB 3.29Å; N643-M647 WeakPolarHBondContact O-CB 3.23Å; N643-M647 PolarHBondContact O-N 3.05Å; I644-M647 PolarHBondContact O-N 2.91Å; M647-K649 VanDerWaalsContact C-N 3.27Å; M647-K649 PolarHBondContact O-N 2.87Å; M647-L650 PolarHBondContact O-N 3.37Å; M647-W655 HydrophobicContact CG-CH2 4.08Å; M647-W655 HydrophobicContact CG-CZ2 3.66Å; M647-W655 PolarHBondContact O-NE1 3.03Å; M647-W655 HydrophobicContact SD-CH2 3.62Å; M647-W655 HydrophobicContact SD-CZ2 3.84Å |
| 648 | L | 89.3 | Confident | 88.1 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -4.3 | 176.4 | -71.6 | 169.9 | 0 | 0 | 0 | 113.9 | F577 C580 I584 I644 Y645 L646 W655 | F577-L648 HydrophobicContact CD2-CD1 4.48Å; F577-L648 HydrophobicContact CE2-CD1 4.37Å; F577-L648 HydrophobicContact CE2-CD2 4.01Å; F577-L648 HydrophobicContact CE2-CG 4.34Å; F577-L648 HydrophobicContact CZ-CD2 3.85Å; C580-L648 HydrophobicContact CB-CD1 3.69Å; I584-L648 HydrophobicContact CD1-CB 3.46Å; I584-L648 VanDerWaalsContact CD1-CB 3.46Å; I644-L648 HydrophobicContact CG2-CD1 4.03Å; I644-L648 WeakPolarHBondContact O-CG 3.31Å; I644-L648 PolarHBondContact O-N 3.41Å; I644-L648 VanDerWaalsContact O-N 3.13Å; Y645-L648 PolarHBondContact O-N 3.35Å; L646-L648 VanDerWaalsContact C-N 3.3Å; L646-L648 PolarHBondContact O-N 3.08Å; L648-W655 HydrophobicContact CD2-CZ2 4.04Å |
| 649 | K | 86.6 | Confident | 88 | Confident | 56 Ų | 56 | 36.6 Ų | 36.6 | 24% | 0.243 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -3 | 170.5 | -77.1 | -62.7 | -167.1 | -178.1 | 0 | 114 | A259 I584 Y645 L646 M647 | A259-K649 HydrophobicContact CB-CB 4.13Å; I584-K649 HydrophobicContact CD1-CD 4.32Å; I584-K649 HydrophobicContact CD1-CG 4.12Å; I584-K649 HydrophobicContact CG1-CD 4.46Å; I584-K649 HydrophobicContact CG2-CD 4.38Å; Y645-K649 HydrophobicContact CE1-CG 4.01Å; Y645-K649 PolarHBondContact O-N 3.34Å; Y645-K649 VanDerWaalsContact OH-CE 3.3Å; Y645-K649 WeakPolarHBondContact OH-CE 3.27Å; L646-K649 PolarHBondContact O-N 3.49Å; M647-K649 VanDerWaalsContact C-N 3.27Å; M647-K649 PolarHBondContact O-N 2.87Å |
| 650 | L | 82.9 | Confident | 87.9 | Confident | 18 Ų | 18 | 40.8 Ų | 40.8 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -79.9 | 158.8 | 174.9 | -62.4 | 173.9 | 0 | 0 | 0 | 112.3 | A259 I413 L416 M647 | A259-L650 HydrophobicContact CB-CD2 4.2Å; I413-L650 HydrophobicContact CB-CD1 3.75Å; L416-L650 HydrophobicContact CD1-CD1 4.3Å; M647-L650 PolarHBondContact O-N 3.37Å |
| 651 | S | 82.9 | Confident | 87.8 | Confident | 46 Ų | 46 | 42.8 Ų | 42.8 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | trans | -60.2 | 143.5 | -178.6 | 177.7 | 0 | 0 | 0 | 0 | 113.7 | E409 I653 T654 W655 | E409-S651 WeakPolarHBondContact OE2-CB 3.48Å; S651-I653 PolarHBondContact O-N 2.97Å; S651-I653 PolarHBondContact OG-N 3.39Å; S651-T654 WeakPolarHBondContact O-CA 3.44Å; S651-T654 WeakPolarHBondContact O-CB 3.47Å; S651-T654 PolarHBondContact O-N 3.21Å; S651-W655 PolarHBondContact O-N 3.1Å | ||
| 652 | T | 84 | Confident | 87.6 | Confident | 109 Ų | 109 | 41.4 Ų | 41.4 | 67% | 0.669 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -58.4 | -30.2 | 173.8 | -44 | 0 | 0 | 0 | 0 | 112.5 | T654 W655 I656 | T652-T654 VanDerWaalsContact C-N 3.29Å; T652-T654 PolarHBondContact O-N 3.03Å; T652-W655 PolarHBondContact O-N 3.14Å; T652-I656 WeakPolarHBondContact O-CG1 3.31Å; T652-I656 PolarHBondContact O-N 2.93Å; T652-I656 VanDerWaalsContact O-N 3.12Å |
| 653 | I | 82 | Confident | 87.7 | Confident | 97 Ų | 97 | 46.5 Ų | 46.5 | 50% | 0.497 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.8 | -38.7 | 176.1 | -57.6 | 175.5 | 0 | 0 | 0 | 110.2 | S651 I656 R657 | S651-I653 PolarHBondContact O-N 2.97Å; S651-I653 PolarHBondContact OG-N 3.39Å; I653-I656 PolarHBondContact O-N 3.32Å; I653-R657 WeakPolarHBondContact O-CG 3.34Å; I653-R657 PolarHBondContact O-N 2.94Å |
| 654 | T | 82.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 178 | -55 | 0 | 0 | 0 | 0 | 111.3 | E409 M410 I413 S651 T652 R657 F658 | E409-T654 HydrophobicContact CB-CG2 4.12Å; E409-T654 WeakPolarHBondContact O-CG2 3.49Å; E409-T654 PolarHBondContact OE2-OG1 3.33Å; M410-T654 HydrophobicContact CB-CG2 4.5Å; I413-T654 HydrophobicContact CB-CG2 4.35Å; I413-T654 HydrophobicContact CG2-CG2 3.77Å; S651-T654 WeakPolarHBondContact O-CA 3.44Å; S651-T654 WeakPolarHBondContact O-CB 3.47Å; S651-T654 PolarHBondContact O-N 3.21Å; T652-T654 VanDerWaalsContact C-N 3.29Å; T652-T654 PolarHBondContact O-N 3.03Å; T654-R657 PolarHBondContact O-N 2.9Å; T654-F658 WeakPolarHBondContact O-CB 3.41Å; T654-F658 PolarHBondContact O-N 2.99Å |
| 655 | W | 86.4 | Confident | 87.6 | Confident | 81 Ų | 81 | 49.3 Ų | 49.3 | 31% | 0.307 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 170.5 | -80.6 | 90.2 | 0 | 0 | 0 | 113.3 | I413 F577 M647 L648 S651 T652 F658 A659 | I413-W655 HydrophobicContact CD1-CD2 3.54Å; I413-W655 HydrophobicContact CD1-CE3 3.85Å; I413-W655 HydrophobicContact CD1-CG 3.87Å; I413-W655 HydrophobicContact CD1-CH2 4.4Å; I413-W655 HydrophobicContact CD1-CZ2 4.14Å; I413-W655 HydrophobicContact CD1-CZ3 4.26Å; F577-W655 HydrophobicContact CE2-CH2 4.13Å; F577-W655 HydrophobicContact CZ-CH2 4.31Å; M647-W655 HydrophobicContact CG-CH2 4.08Å; M647-W655 HydrophobicContact CG-CZ2 3.66Å; M647-W655 PolarHBondContact O-NE1 3.03Å; M647-W655 HydrophobicContact SD-CH2 3.62Å; M647-W655 HydrophobicContact SD-CZ2 3.84Å; L648-W655 HydrophobicContact CD2-CZ2 4.04Å; S651-W655 PolarHBondContact O-N 3.1Å; T652-W655 PolarHBondContact O-N 3.14Å; W655-F658 PolarHBondContact O-N 3.27Å; W655-A659 WeakPolarHBondContact O-CB 3.42Å; W655-A659 PolarHBondContact O-N 3.04Å |
| 656 | I | 87.9 | Confident | 87.6 | Confident | 106 Ų | 106 | 49.7 Ų | 49.7 | 54% | 0.544 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 177.2 | -66.5 | 164.8 | 0 | 0 | 0 | 110.8 | T652 I653 F658 A659 V660 | T652-I656 WeakPolarHBondContact O-CG1 3.31Å; T652-I656 PolarHBondContact O-N 2.93Å; T652-I656 VanDerWaalsContact O-N 3.12Å; I653-I656 PolarHBondContact O-N 3.32Å; I656-F658 VanDerWaalsContact C-N 3.34Å; I656-F658 PolarHBondContact O-N 3.38Å; I656-A659 PolarHBondContact O-N 2.95Å; I656-V660 WeakPolarHBondContact O-CG2 3.35Å; I656-V660 PolarHBondContact O-N 3.35Å |
| 657 | R | 85.2 | Confident | 87.8 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 176.7 | -68.4 | 173.9 | -177.8 | 141.1 | -7.1 | 111.8 | D406 M410 I653 T654 V660 W661 | D406-R657 VanDerWaalsContact CG-CZ 3.49Å; D406-R657 VanDerWaalsContact CG-NH1 3.32Å; D406-R657 IonicContact OD1-CZ 3.6Å; D406-R657 IonicContact OD1-NH1 3.11Å; D406-R657 PolarHBondContact OD1-NH1 2.9Å; D406-R657 IonicContact OD1-NH2 3.89Å; D406-R657 PolarHBondContact OD1-NH2 3.22Å; D406-R657 IonicContact OD2-NH2 2.66Å; D406-R657 PolarHBondContact OD2-NH2 2.91Å; M410-R657 HydrophobicContact CE-CB 3.88Å; M410-R657 HydrophobicContact CG-CB 4.44Å; M410-R657 HydrophobicContact SD-CB 3.79Å; M410-R657 HydrophobicContact SD-CG 4.5Å; I653-R657 WeakPolarHBondContact O-CG 3.34Å; I653-R657 PolarHBondContact O-N 2.94Å; T654-R657 PolarHBondContact O-N 2.9Å; R657-V660 PolarHBondContact O-N 3.49Å; R657-W661 PolarHBondContact O-N 2.94Å; R657-W661 VanDerWaalsContact O-N 3.11Å |
| 658 | F | 87.3 | Confident | 87.9 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 6% | 0.057 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 178 | -175.5 | -108.6 | 0 | 0 | 0 | 111.8 | N138 L141 I413 L417 T654 W655 I656 V660 W661 C662 | N138-F658 WeakPolarHBondContact OD1-CZ 3.37Å; L141-F658 HydrophobicContact CD2-CD2 3.87Å; L141-F658 HydrophobicContact CD2-CE2 4.04Å; I413-F658 HydrophobicContact CD1-CB 4.04Å; I413-F658 HydrophobicContact CD1-CD1 3.97Å; I413-F658 HydrophobicContact CD1-CG 4.08Å; I413-F658 HydrophobicContact CG1-CB 4.46Å; I413-F658 HydrophobicContact CG1-CD1 4.07Å; I413-F658 HydrophobicContact CG1-CG 4.09Å; I413-F658 HydrophobicContact CG2-CB 3.97Å; I413-F658 HydrophobicContact CG2-CD2 3.99Å; I413-F658 HydrophobicContact CG2-CG 4.01Å; L417-F658 HydrophobicContact CD2-CE1 3.71Å; L417-F658 HydrophobicContact CD2-CZ 3.6Å; T654-F658 WeakPolarHBondContact O-CB 3.41Å; T654-F658 PolarHBondContact O-N 2.99Å; W655-F658 PolarHBondContact O-N 3.27Å; I656-F658 VanDerWaalsContact C-N 3.34Å; I656-F658 PolarHBondContact O-N 3.38Å; F658-V660 VanDerWaalsContact C-N 3.31Å; F658-V660 PolarHBondContact O-N 2.97Å; F658-W661 PolarHBondContact O-N 2.77Å; F658-W661 VanDerWaalsContact O-N 3.1Å; F658-C662 WeakPolarHBondContact CE1-SG 3.26Å; F658-C662 WeakPolarHBondContact CZ-SG 3.37Å; F658-C662 PolarHBondContact O-N 3.49Å; F658-C662 PolarHBondContact O-SG 3.24Å; F658-C662 VanDerWaalsContact O-SG 3.35Å |
| 659 | A | 89.3 | Confident | 87.9 | Confident | 58 Ų | 58 | 55.2 Ų | 55.2 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60 | -38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W655 I656 C662 F663 | W655-A659 WeakPolarHBondContact O-CB 3.42Å; W655-A659 PolarHBondContact O-N 3.04Å; I656-A659 PolarHBondContact O-N 2.95Å; A659-C662 PolarHBondContact O-N 3.38Å; A659-F663 WeakPolarHBondContact O-CB 3.36Å; A659-F663 PolarHBondContact O-N 3.05Å |
| 660 | V | 89.9 | Confident | 88 | Confident | 89 Ų | 89 | 56.8 Ų | 56.8 | 54% | 0.539 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 173.3 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | I656 R657 F658 F663 V664 | I656-V660 WeakPolarHBondContact O-CG2 3.35Å; I656-V660 PolarHBondContact O-N 3.35Å; R657-V660 PolarHBondContact O-N 3.49Å; F658-V660 VanDerWaalsContact C-N 3.31Å; F658-V660 PolarHBondContact O-N 2.97Å; V660-F663 PolarHBondContact O-N 2.93Å; V660-V664 WeakPolarHBondContact O-CG2 3.34Å; V660-V664 PolarHBondContact O-N 3.46Å; V660-V664 VanDerWaalsContact O-N 3.09Å |
| 661 | W | 89.6 | Confident | 88.2 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 175.6 | 179.2 | -98.5 | 0 | 0 | 0 | 112.7 | W137 I140 L141 L144 M410 R657 F658 F663 V664 G665 | W137-W661 AromaticContact CD1-CD1 3.69Å; W137-W661 AromaticContact CD1-NE1 3.3Å; W137-W661 VanDerWaalsContact CD1-NE1 3.3Å; W137-W661 HydrophobicContact CD2-CZ2 4.12Å; W137-W661 AromaticContact CD2-NE1 3.94Å; W137-W661 AromaticContact CE2-CE2 3.39Å; W137-W661 AromaticContact CE2-CZ2 3.59Å; W137-W661 AromaticContact CE2-NE1 3.37Å; W137-W661 HydrophobicContact CE3-CZ2 4.4Å; W137-W661 AromaticContact CG-NE1 3.89Å; W137-W661 AromaticContact CH2-CH2 3.84Å; W137-W661 HydrophobicContact CH2-CH2 3.84Å; W137-W661 AromaticContact CH2-CZ2 3.69Å; W137-W661 HydrophobicContact CH2-CZ2 3.69Å; W137-W661 AromaticContact CZ2-CD2 3.97Å; W137-W661 HydrophobicContact CZ2-CD2 3.97Å; W137-W661 AromaticContact CZ2-CE2 3.47Å; W137-W661 VanDerWaalsContact CZ2-CE2 3.47Å; W137-W661 HydrophobicContact CZ2-CE3 4.28Å; W137-W661 AromaticContact CZ2-CH2 3.74Å; W137-W661 HydrophobicContact CZ2-CH2 3.74Å; W137-W661 AromaticContact CZ2-CZ2 3.35Å; W137-W661 HydrophobicContact CZ2-CZ2 3.35Å; W137-W661 HydrophobicContact CZ2-CZ3 4.17Å; W137-W661 AromaticContact CZ2-NE1 3.96Å; W137-W661 HydrophobicContact CZ3-CZ2 4.21Å; W137-W661 AromaticContact NE1-CD1 3.29Å; W137-W661 VanDerWaalsContact NE1-CD1 3.29Å; W137-W661 AromaticContact NE1-CD2 3.95Å; W137-W661 AromaticContact NE1-CE2 3.43Å; W137-W661 AromaticContact NE1-CG 3.89Å; W137-W661 AromaticContact NE1-NE1 2.95Å; W137-W661 PolarHBondContact NE1-O 3.24Å; W137-W661 PolarHBondContact O-NE1 3.2Å; W137-W661 VanDerWaalsContact O-NE1 3.14Å; I140-W661 HydrophobicContact CG2-CZ2 4.26Å; L141-W661 HydrophobicContact CB-CZ2 4.28Å; L141-W661 HydrophobicContact CD1-CD2 3.67Å; L141-W661 HydrophobicContact CD1-CE3 4.08Å; L141-W661 HydrophobicContact CD1-CG 3.88Å; L141-W661 HydrophobicContact CD1-CZ2 4.25Å; L141-W661 HydrophobicContact CD2-CB 4.41Å; L141-W661 HydrophobicContact CD2-CG 3.97Å; L141-W661 HydrophobicContact CG-CD2 4.47Å; L141-W661 HydrophobicContact CG-CG 4.35Å; L144-W661 HydrophobicContact CD2-CH2 4.05Å; L144-W661 HydrophobicContact CD2-CZ3 4.41Å; M410-W661 HydrophobicContact CE-CB 4.32Å; R657-W661 PolarHBondContact O-N 2.94Å; R657-W661 VanDerWaalsContact O-N 3.11Å; F658-W661 PolarHBondContact O-N 2.77Å; F658-W661 VanDerWaalsContact O-N 3.1Å; W661-F663 VanDerWaalsContact C-N 3.29Å; W661-F663 PolarHBondContact O-N 2.75Å; W661-V664 PolarHBondContact O-N 3.48Å; W661-G665 PolarHBondContact O-N 3.29Å; W661-G665 VanDerWaalsContact O-N 3.1Å |
| 662 | C | 89.9 | Confident | 88.4 | Confident | 14 Ų | 14 | 59.3 Ų | 59.3 | 10% | 0.095 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 174.6 | -64.5 | 0 | 0 | 0 | 0 | 111.3 | F134 F658 A659 V664 G665 L666 | F134-C662 HydrophobicContact CE2-CB 4.31Å; F658-C662 WeakPolarHBondContact CE1-SG 3.26Å; F658-C662 WeakPolarHBondContact CZ-SG 3.37Å; F658-C662 PolarHBondContact O-N 3.49Å; F658-C662 PolarHBondContact O-SG 3.24Å; F658-C662 VanDerWaalsContact O-SG 3.35Å; A659-C662 PolarHBondContact O-N 3.38Å; C662-V664 PolarHBondContact O-N 3.12Å; C662-G665 PolarHBondContact O-N 2.78Å; C662-L666 VanDerWaalsContact O-CG 3.3Å; C662-L666 WeakPolarHBondContact O-CG 3.28Å; C662-L666 PolarHBondContact O-N 3.42Å |
| 663 | F | 92.6 | Very high | 88.4 | Confident | 127 Ų | 127 | 54.1 Ų | 54.1 | 56% | 0.557 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | 177.3 | -177 | -107.2 | 0 | 0 | 0 | 112.6 | A659 V660 W661 G665 L666 L667 | A659-F663 WeakPolarHBondContact O-CB 3.36Å; A659-F663 PolarHBondContact O-N 3.05Å; V660-F663 PolarHBondContact O-N 2.93Å; W661-F663 VanDerWaalsContact C-N 3.29Å; W661-F663 PolarHBondContact O-N 2.75Å; F663-G665 VanDerWaalsContact C-N 3.34Å; F663-G665 PolarHBondContact O-N 3.09Å; F663-L666 PolarHBondContact O-N 3.22Å; F663-L667 HydrophobicContact CD1-CD1 4.04Å; F663-L667 HydrophobicContact CE1-CD1 3.61Å; F663-L667 HydrophobicContact CE1-CG 4.21Å; F663-L667 HydrophobicContact CZ-CD1 4.05Å; F663-L667 HydrophobicContact CZ-CD2 4.28Å; F663-L667 HydrophobicContact CZ-CG 4.25Å; F663-L667 WeakPolarHBondContact O-CG 3.29Å; F663-L667 PolarHBondContact O-N 3.2Å |
| 664 | V | 92.3 | Very high | 88.5 | Confident | 60 Ų | 60 | 50 Ų | 50 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 173.1 | 174 | 0 | 0 | 0 | 0 | 111.3 | W137 V660 W661 C662 L667 I668 | W137-V664 HydrophobicContact CH2-CG1 4.38Å; W137-V664 HydrophobicContact CZ2-CB 4.33Å; W137-V664 HydrophobicContact CZ2-CG1 3.94Å; V660-V664 WeakPolarHBondContact O-CG2 3.34Å; V660-V664 PolarHBondContact O-N 3.46Å; V660-V664 VanDerWaalsContact O-N 3.09Å; W661-V664 PolarHBondContact O-N 3.48Å; C662-V664 PolarHBondContact O-N 3.12Å; V664-L667 PolarHBondContact O-N 2.77Å; V664-I668 HydrophobicContact CG1-CD1 4.05Å; V664-I668 WeakPolarHBondContact O-CG1 3.49Å; V664-I668 PolarHBondContact O-N 2.83Å; V664-I668 VanDerWaalsContact O-N 3.1Å |
| 665 | G | 90.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F133 W661 C662 F663 L667 I668 Y669 | F133-G665 VanDerWaalsContact CE1-O 3.27Å; F133-G665 WeakPolarHBondContact CE1-O 3.42Å; F133-G665 VanDerWaalsContact CZ-O 3.25Å; F133-G665 WeakPolarHBondContact CZ-O 3.42Å; W661-G665 PolarHBondContact O-N 3.29Å; W661-G665 VanDerWaalsContact O-N 3.1Å; C662-G665 PolarHBondContact O-N 2.78Å; F663-G665 VanDerWaalsContact C-N 3.34Å; F663-G665 PolarHBondContact O-N 3.09Å; G665-L667 VanDerWaalsContact C-N 3.32Å; G665-L667 PolarHBondContact O-N 3.48Å; G665-I668 PolarHBondContact O-N 2.74Å; G665-I668 VanDerWaalsContact O-N 3.15Å; G665-Y669 PolarHBondContact O-N 3.43Å |
| 666 | L | 91.2 | Very high | 88.1 | Confident | 54 Ų | 54 | 55.5 Ų | 55.5 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 177.3 | -67 | 171.7 | 0 | 0 | 0 | 111.9 | F130 C662 F663 Y669 F670 | F130-L666 HydrophobicContact CE2-CD2 3.53Å; F130-L666 HydrophobicContact CZ-CD2 3.79Å; C662-L666 VanDerWaalsContact O-CG 3.3Å; C662-L666 WeakPolarHBondContact O-CG 3.28Å; C662-L666 PolarHBondContact O-N 3.42Å; F663-L666 PolarHBondContact O-N 3.22Å; L666-Y669 PolarHBondContact O-N 2.84Å; L666-F670 HydrophobicContact CB-CD2 4.36Å; L666-F670 HydrophobicContact CB-CE2 4.41Å; L666-F670 HydrophobicContact CD2-CE2 4.09Å; L666-F670 WeakPolarHBondContact O-CD2 3.2Å; L666-F670 PolarHBondContact O-N 2.99Å |
| 667 | L | 92.9 | Very high | 87.8 | Confident | 103 Ų | 103 | 50.5 Ų | 50.5 | 54% | 0.539 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 173.4 | -71.2 | 176.4 | 0 | 0 | 0 | 112.3 | F663 V664 G665 G671 | F663-L667 HydrophobicContact CD1-CD1 4.04Å; F663-L667 HydrophobicContact CE1-CD1 3.61Å; F663-L667 HydrophobicContact CE1-CG 4.21Å; F663-L667 HydrophobicContact CZ-CD1 4.05Å; F663-L667 HydrophobicContact CZ-CD2 4.28Å; F663-L667 HydrophobicContact CZ-CG 4.25Å; F663-L667 WeakPolarHBondContact O-CG 3.29Å; F663-L667 PolarHBondContact O-N 3.2Å; V664-L667 PolarHBondContact O-N 2.77Å; G665-L667 VanDerWaalsContact C-N 3.32Å; G665-L667 PolarHBondContact O-N 3.48Å; L667-G671 WeakPolarHBondContact O-CA 3.37Å; L667-G671 PolarHBondContact O-N 3.48Å |
| 668 | I | 91 | Very high | 87.4 | Confident | 35 Ų | 35 | 49.7 Ų | 49.7 | 18% | 0.179 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.1 | -43.8 | 176.1 | -66.1 | 164.1 | 0 | 0 | 0 | 110.7 | W137 L370 V664 G665 Y672 G673 | W137-I668 HydrophobicContact CH2-CD1 3.55Å; W137-I668 HydrophobicContact CZ2-CD1 4.2Å; W137-I668 HydrophobicContact CZ3-CD1 3.96Å; L370-I668 HydrophobicContact CD2-CG2 4.03Å; V664-I668 HydrophobicContact CG1-CD1 4.05Å; V664-I668 WeakPolarHBondContact O-CG1 3.49Å; V664-I668 PolarHBondContact O-N 2.83Å; V664-I668 VanDerWaalsContact O-N 3.1Å; G665-I668 PolarHBondContact O-N 2.74Å; G665-I668 VanDerWaalsContact O-N 3.15Å; I668-Y672 WeakPolarHBondContact O-CB 3.24Å; I668-Y672 PolarHBondContact O-N 3.14Å; I668-G673 PolarHBondContact O-N 3.18Å; I668-G673 VanDerWaalsContact O-N 3.11Å |
| 669 | Y | 88.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -64.3 | -52.8 | 179.1 | 179.5 | -104.5 | 0 | 0 | 0 | 112.4 | E129 F130 F133 L369 G665 L666 G673 I674 | E129-Y669 HydrophobicContact CG-CE2 4.13Å; E129-Y669 VanDerWaalsContact OE1-CE2 3.28Å; E129-Y669 WeakPolarHBondContact OE1-CE2 3.19Å; E129-Y669 PolarHBondContact OE1-OH 3Å; F130-Y669 HydrophobicContact CB-CE1 4.44Å; F130-Y669 AromaticContact CD2-CD1 3.84Å; F130-Y669 HydrophobicContact CD2-CD1 3.84Å; F130-Y669 AromaticContact CD2-CE1 3.71Å; F130-Y669 HydrophobicContact CD2-CE1 3.71Å; F130-Y669 HydrophobicContact CE2-CD1 4.33Å; F133-Y669 HydrophobicContact CB-CD2 4.05Å; F133-Y669 HydrophobicContact CB-CE2 4.45Å; F133-Y669 HydrophobicContact CD1-CD2 4.18Å; F133-Y669 HydrophobicContact CD1-CG 4.13Å; F133-Y669 AromaticContact CD2-CD2 3.99Å; F133-Y669 HydrophobicContact CD2-CD2 3.99Å; F133-Y669 HydrophobicContact CE1-CG 4.49Å; F133-Y669 AromaticContact CG-CD2 3.77Å; F133-Y669 HydrophobicContact CG-CD2 3.77Å; F133-Y669 HydrophobicContact CG-CG 4.2Å; L369-Y669 HydrophobicContact CD2-CD2 3.84Å; L369-Y669 HydrophobicContact CD2-CE2 3.56Å; G665-Y669 PolarHBondContact O-N 3.43Å; L666-Y669 PolarHBondContact O-N 2.84Å; Y669-G673 WeakPolarHBondContact O-CA 3.21Å; Y669-G673 PolarHBondContact O-N 3.18Å; Y669-I674 HydrophobicContact CE1-CB 4.11Å; Y669-I674 HydrophobicContact CE1-CD1 4.12Å; Y669-I674 HydrophobicContact CE1-CG1 4.36Å; Y669-I674 HydrophobicContact CE2-CB 4.31Å; Y669-I674 WeakPolarHBondContact O-CG2 3.36Å; Y669-I674 PolarHBondContact O-N 2.87Å |
| 670 | F | 88.4 | Confident | 86.1 | Confident | 90 Ų | 90 | 48.6 Ų | 48.6 | 40% | 0.395 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -74.3 | -26.8 | -178.3 | -68.1 | -60.1 | 0 | 0 | 0 | 113.4 | I26 F130 L666 I674 W675 | I26-F670 HydrophobicContact CD1-CE1 4.18Å; I26-F670 HydrophobicContact CG1-CE1 4.49Å; F130-F670 HydrophobicContact CE2-CE2 4.45Å; F130-F670 HydrophobicContact CE2-CZ 4.13Å; L666-F670 HydrophobicContact CB-CD2 4.36Å; L666-F670 HydrophobicContact CB-CE2 4.41Å; L666-F670 HydrophobicContact CD2-CE2 4.09Å; L666-F670 WeakPolarHBondContact O-CD2 3.2Å; L666-F670 PolarHBondContact O-N 2.99Å; F670-I674 HydrophobicContact CD1-CD1 4.37Å; F670-W675 PolarHBondContact O-NE1 3.46Å |
| 671 | G | 86.9 | Confident | 85.3 | Confident | 61 Ų | 61 | 46.6 Ų | 46.6 | 63% | 0.629 | 24% | 0.237 | S | C | * | . | I | π-helix | trans | -82.5 | -31.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L667 | L667-G671 WeakPolarHBondContact O-CA 3.37Å; L667-G671 PolarHBondContact O-N 3.48Å |
| 672 | Y | 88.3 | Confident | 84.6 | Confident | 56 Ų | 56 | 47.2 Ų | 47.2 | 22% | 0.22 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -132.7 | -56.2 | -175.6 | 179.9 | -93.9 | 0 | 0 | 0 | 112.7 | G368 L370 F371 R372 I668 I674 W675 N676 | G368-Y672 WeakPolarHBondContact O-CE1 3.34Å; L370-Y672 WeakPolarHBondContact O-CE1 3.27Å; F371-Y672 HydrophobicContact CD1-CD1 4.21Å; F371-Y672 HydrophobicContact CD1-CD2 4.04Å; F371-Y672 HydrophobicContact CD1-CE1 4.1Å; F371-Y672 AromaticContact CD1-CE2 3.92Å; F371-Y672 HydrophobicContact CD1-CE2 3.92Å; F371-Y672 HydrophobicContact CD1-CG 4.17Å; F371-Y672 AromaticContact CD1-CZ 3.94Å; F371-Y672 HydrophobicContact CE1-CD1 4.43Å; F371-Y672 HydrophobicContact CE1-CD2 4.03Å; F371-Y672 HydrophobicContact CE1-CE2 4.36Å; F371-Y672 HydrophobicContact CE1-CG 4.06Å; R372-Y672 PolarHBondContact N-OH 2.73Å; I668-Y672 WeakPolarHBondContact O-CB 3.24Å; I668-Y672 PolarHBondContact O-N 3.14Å; Y672-I674 PolarHBondContact O-N 2.88Å; Y672-W675 PolarHBondContact O-N 3.21Å; Y672-W675 VanDerWaalsContact O-N 3.11Å; Y672-N676 HydrophobicContact CD1-CB 4.31Å; Y672-N676 HydrophobicContact CD2-CB 4.45Å; Y672-N676 HydrophobicContact CE1-CB 4.01Å; Y672-N676 HydrophobicContact CE2-CB 4.17Å; Y672-N676 VanDerWaalsContact CZ-ND2 3.26Å; Y672-N676 WeakPolarHBondContact O-CB 3.43Å; Y672-N676 PolarHBondContact O-N 3.03Å; Y672-N676 VanDerWaalsContact O-N 3.11Å; Y672-N676 PolarHBondContact OH-ND2 3.31Å |
| 673 | G | 83.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -55 | -51.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I668 Y669 W675 N676 S677 | I668-G673 PolarHBondContact O-N 3.18Å; I668-G673 VanDerWaalsContact O-N 3.11Å; Y669-G673 WeakPolarHBondContact O-CA 3.21Å; Y669-G673 PolarHBondContact O-N 3.18Å; G673-W675 PolarHBondContact O-N 3.42Å; G673-W675 VanDerWaalsContact O-N 3.1Å; G673-N676 PolarHBondContact O-N 2.86Å; G673-S677 WeakPolarHBondContact O-CB 3.43Å; G673-S677 PolarHBondContact O-N 3.25Å |
| 674 | I | 83.4 | Confident | 82.9 | Confident | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -17.5 | -178.1 | -162.6 | 170.7 | 0 | 0 | 0 | 114.2 | R25 I26 Y669 F670 Y672 | R25-I674 HydrophobicContact CB-CD1 4.08Å; R25-I674 HydrophobicContact CB-CG1 4.08Å; I26-I674 HydrophobicContact CG1-CD1 4.04Å; Y669-I674 HydrophobicContact CE1-CB 4.11Å; Y669-I674 HydrophobicContact CE1-CD1 4.12Å; Y669-I674 HydrophobicContact CE1-CG1 4.36Å; Y669-I674 HydrophobicContact CE2-CB 4.31Å; Y669-I674 WeakPolarHBondContact O-CG2 3.36Å; Y669-I674 PolarHBondContact O-N 2.87Å; F670-I674 HydrophobicContact CD1-CD1 4.37Å; Y672-I674 PolarHBondContact O-N 2.88Å |
| 675 | W | 79.4 | Confident | 82.1 | Confident | 156 Ų | 156 | 53.6 Ų | 53.6 | 59% | 0.591 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -102.9 | -19.5 | 179.6 | -61.1 | 102.7 | 0 | 0 | 0 | 113.7 | F670 Y672 G673 | F670-W675 PolarHBondContact O-NE1 3.46Å; Y672-W675 PolarHBondContact O-N 3.21Å; Y672-W675 VanDerWaalsContact O-N 3.11Å; G673-W675 PolarHBondContact O-N 3.42Å; G673-W675 VanDerWaalsContact O-N 3.1Å |
| 676 | N | 82.5 | Confident | 81.4 | Confident | 40 Ų | 40 | 59.3 Ų | 59.3 | 21% | 0.214 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -120.4 | -4.2 | -171.3 | -168.5 | 93.9 | 0 | 0 | 0 | 113.2 | G368 R372 Y672 G673 I681 | G368-N676 CarbonylContact O-C 3.49Å; G368-N676 PolarHBondContact O-ND2 2.9Å; G368-N676 VanDerWaalsContact O-ND2 3.16Å; R372-N676 PolarHBondContact NE-ND2 3.39Å; R372-N676 VanDerWaalsContact NE-ND2 3.13Å; R372-N676 PolarHBondContact NH2-O 3.27Å; Y672-N676 HydrophobicContact CD1-CB 4.31Å; Y672-N676 HydrophobicContact CD2-CB 4.45Å; Y672-N676 HydrophobicContact CE1-CB 4.01Å; Y672-N676 HydrophobicContact CE2-CB 4.17Å; Y672-N676 VanDerWaalsContact CZ-ND2 3.26Å; Y672-N676 WeakPolarHBondContact O-CB 3.43Å; Y672-N676 PolarHBondContact O-N 3.03Å; Y672-N676 VanDerWaalsContact O-N 3.11Å; Y672-N676 PolarHBondContact OH-ND2 3.31Å; G673-N676 PolarHBondContact O-N 2.86Å; N676-I681 WeakPolarHBondContact O-CD1 3.21Å |
| 677 | S | 81.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -43.2 | 135.8 | 163.4 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | Y124 E129 D367 G673 L679 E680 I681 | Y124-S677 PolarHBondContact OH-OG 2.67Å; E129-S677 VanDerWaalsContact OE2-CB 3.24Å; E129-S677 WeakPolarHBondContact OE2-CB 3.46Å; E129-S677 PolarHBondContact OE2-OG 2.75Å; D367-S677 WeakPolarHBondContact O-CA 3.47Å; G673-S677 WeakPolarHBondContact O-CB 3.43Å; G673-S677 PolarHBondContact O-N 3.25Å; S677-L679 PolarHBondContact O-N 3.29Å; S677-L679 PolarHBondContact OG-N 2.92Å; S677-E680 PolarHBondContact O-N 3.18Å; S677-I681 PolarHBondContact O-N 3.23Å | ||
| 678 | T | 75.2 | Confident | 79.8 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54 | -37.7 | 174.5 | 44.2 | 0 | 0 | 0 | 0 | 111.9 | D367 I681 S682 | D367-T678 PolarHBondContact O-N 2.64Å; D367-T678 PolarHBondContact O-OG1 3.27Å; D367-T678 PolarHBondContact OD1-OG1 3.48Å; T678-I681 PolarHBondContact O-N 3.2Å; T678-S682 PolarHBondContact O-N 2.74Å; T678-S682 PolarHBondContact O-OG 2.87Å |
| 679 | L | 72.1 | Confident | 78.9 | Confident | 26 Ų | 26 | 63.1 Ų | 63.1 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.9 | -34.6 | -180 | -59.1 | -178.3 | 0 | 0 | 0 | 113.5 | R28 K30 Y124 S677 A683 | R28-L679 HydrophobicContact CB-CD1 3.89Å; K30-L679 HydrophobicContact CB-CD1 4.4Å; K30-L679 HydrophobicContact CG-CD2 4.47Å; Y124-L679 HydrophobicContact CE2-CD1 3.53Å; Y124-L679 WeakPolarHBondContact OH-CD1 3.44Å; S677-L679 PolarHBondContact O-N 3.29Å; S677-L679 PolarHBondContact OG-N 2.92Å; L679-A683 WeakPolarHBondContact O-CB 3.32Å; L679-A683 PolarHBondContact O-N 2.65Å |
| 680 | E | 77.1 | Confident | 78 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.8 | -33.9 | 173.7 | 178.1 | 65.8 | -167.5 | 0 | 0 | 111.5 | R25 R28 S677 R684 | R25-E680 IonicContact CZ-OE1 3.56Å; R25-E680 IonicContact CZ-OE2 3.14Å; R25-E680 IonicContact NE-OE1 3.46Å; R25-E680 PolarHBondContact NE-OE1 3.23Å; R25-E680 IonicContact NE-OE2 2.77Å; R25-E680 PolarHBondContact NE-OE2 3.04Å; R25-E680 IonicContact NH2-OE1 2.85Å; R25-E680 PolarHBondContact NH2-OE1 3.46Å; R25-E680 IonicContact NH2-OE2 3.91Å; R28-E680 IonicContact CZ-OE2 3.34Å; R28-E680 VanDerWaalsContact NH1-CA 3.31Å; R28-E680 IonicContact NH1-OE2 3.53Å; R28-E680 PolarHBondContact NH1-OE2 2.96Å; R28-E680 IonicContact NH2-OE2 2.71Å; R28-E680 PolarHBondContact NH2-OE2 2.87Å; S677-E680 PolarHBondContact O-N 3.18Å; E680-R684 WeakPolarHBondContact O-CB 3.43Å; E680-R684 PolarHBondContact O-N 3.2Å |
| 681 | I | 74.6 | Confident | 77.1 | Confident | 47 Ų | 47 | 68.4 Ų | 68.4 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -73 | -48 | 179 | -71.9 | 160.6 | 0 | 0 | 0 | 110.8 | N676 S677 T678 A683 R684 E685 | N676-I681 WeakPolarHBondContact O-CD1 3.21Å; S677-I681 PolarHBondContact O-N 3.23Å; T678-I681 PolarHBondContact O-N 3.2Å; I681-A683 PolarHBondContact O-N 2.87Å; I681-R684 WeakPolarHBondContact O-CB 3.39Å; I681-R684 PolarHBondContact O-N 3.33Å; I681-R684 VanDerWaalsContact O-N 3.15Å; I681-E685 WeakPolarHBondContact O-CG 3.46Å; I681-E685 PolarHBondContact O-N 2.76Å |
| 682 | S | 73.8 | Confident | 76.1 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 174.8 | -61.4 | 0 | 0 | 0 | 0 | 112 | T678 R684 E685 E686 | T678-S682 PolarHBondContact O-N 2.74Å; T678-S682 PolarHBondContact O-OG 2.87Å; S682-R684 PolarHBondContact O-N 3.34Å; S682-E685 PolarHBondContact O-N 3.12Å; S682-E685 VanDerWaalsContact O-N 3.15Å; S682-E686 WeakPolarHBondContact O-CB 3.41Å; S682-E686 WeakPolarHBondContact O-CG 3.45Å; S682-E686 PolarHBondContact O-N 2.91Å |
| 683 | A | 73.1 | Confident | 74.8 | Confident | 39 Ų | 39 | 74.1 Ų | 74.1 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.5 | -30.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | L679 I681 A687 | L679-A683 WeakPolarHBondContact O-CB 3.32Å; L679-A683 PolarHBondContact O-N 2.65Å; I681-A683 PolarHBondContact O-N 2.87Å; A683-A687 WeakPolarHBondContact O-CB 3.44Å; A683-A687 PolarHBondContact O-N 3.08Å |
| 684 | R | 74.3 | Confident | 73.4 | Confident | 181 Ų | 181 | 80.8 Ų | 80.8 | 68% | 0.683 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -75.8 | -36.4 | 174.9 | -178.7 | 176.8 | 178 | -178.7 | -1.7 | 112.4 | E680 I681 S682 L688 | E680-R684 WeakPolarHBondContact O-CB 3.43Å; E680-R684 PolarHBondContact O-N 3.2Å; I681-R684 WeakPolarHBondContact O-CB 3.39Å; I681-R684 PolarHBondContact O-N 3.33Å; I681-R684 VanDerWaalsContact O-N 3.15Å; S682-R684 PolarHBondContact O-N 3.34Å; R684-L688 VanDerWaalsContact O-CB 3.3Å; R684-L688 WeakPolarHBondContact O-CB 3.32Å; R684-L688 PolarHBondContact O-N 3.35Å |
| 685 | E | 76.3 | Confident | 71.8 | Confident | 114 Ų | 114 | 89.7 Ų | 89.7 | 53% | 0.533 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.1 | -44.8 | 173.1 | -73.9 | 171.6 | 179.4 | 0 | 0 | 110.7 | I681 S682 L688 H689 | I681-E685 WeakPolarHBondContact O-CG 3.46Å; I681-E685 PolarHBondContact O-N 2.76Å; S682-E685 PolarHBondContact O-N 3.12Å; S682-E685 VanDerWaalsContact O-N 3.15Å; E685-L688 PolarHBondContact O-N 3.19Å; E685-H689 PolarHBondContact O-CD2 3.4Å; E685-H689 VanDerWaalsContact O-CD2 3.31Å; E685-H689 PolarHBondContact O-N 3.48Å |
| 686 | E | 75.6 | Confident | 70.6 | Confident | 120 Ų | 120 | 91 Ų | 91 | 56% | 0.561 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -57.4 | -48.8 | 172.4 | -74.9 | 173.8 | -161.2 | 0 | 0 | 112.2 | S682 L688 H689 Q690 | S682-E686 WeakPolarHBondContact O-CB 3.41Å; S682-E686 WeakPolarHBondContact O-CG 3.45Å; S682-E686 PolarHBondContact O-N 2.91Å; E686-L688 VanDerWaalsContact C-N 3.3Å; E686-L688 PolarHBondContact O-N 3.37Å; E686-H689 PolarHBondContact O-N 3.38Å; E686-Q690 WeakPolarHBondContact O-CG 3.26Å; E686-Q690 PolarHBondContact O-N 2.92Å |
| 687 | A | 76.7 | Confident | 68.9 | Low | 53 Ų | 53 | 95.8 Ų | 95.8 | 44% | 0.438 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.8 | -36.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A683 S691 | A683-A687 WeakPolarHBondContact O-CB 3.44Å; A683-A687 PolarHBondContact O-N 3.08Å; A687-S691 WeakPolarHBondContact O-CB 3.45Å; A687-S691 PolarHBondContact O-N 3.46Å; A687-S691 PolarHBondContact O-OG 3.26Å |
| 688 | L | 73.2 | Confident | 67.7 | Low | 106 Ų | 106 | 101.3 Ų | 101.3 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.6 | -40.4 | 175.6 | -168.6 | 144.3 | 0 | 0 | 0 | 111.3 | R684 E685 E686 S691 T692 | R684-L688 VanDerWaalsContact O-CB 3.3Å; R684-L688 WeakPolarHBondContact O-CB 3.32Å; R684-L688 PolarHBondContact O-N 3.35Å; E685-L688 PolarHBondContact O-N 3.19Å; E686-L688 VanDerWaalsContact C-N 3.3Å; E686-L688 PolarHBondContact O-N 3.37Å; L688-S691 PolarHBondContact O-N 3.01Å; L688-S691 PolarHBondContact O-OG 3.13Å; L688-T692 WeakPolarHBondContact O-CB 3.43Å; L688-T692 PolarHBondContact O-N 3.46Å; L688-T692 PolarHBondContact O-OG1 3.16Å |
| 689 | H | 73.2 | Confident | 66.4 | Low | 114 Ų | 114 | 106 Ų | 106 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 171.8 | -89.3 | -76.2 | 0 | 0 | 0 | 111.9 | E685 E686 S691 T692 Y693 | E685-H689 PolarHBondContact O-CD2 3.4Å; E685-H689 VanDerWaalsContact O-CD2 3.31Å; E685-H689 PolarHBondContact O-N 3.48Å; E686-H689 PolarHBondContact O-N 3.38Å; H689-S691 PolarHBondContact O-N 3.04Å; H689-T692 WeakPolarHBondContact O-CA 3.31Å; H689-T692 WeakPolarHBondContact O-CB 3.21Å; H689-T692 PolarHBondContact O-N 2.85Å; H689-Y693 WeakPolarHBondContact O-CD2 3.35Å; H689-Y693 PolarHBondContact O-N 3.08Å |
| 690 | Q | 69.6 | Low | 65 | Low | 130 Ų | 130 | 109.9 Ų | 109.9 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.1 | -47.9 | 176.6 | -73.6 | 176.6 | 9 | 0 | 0 | 111.4 | E686 T692 Y693 Q694 | E686-Q690 WeakPolarHBondContact O-CG 3.26Å; E686-Q690 PolarHBondContact O-N 2.92Å; Q690-T692 PolarHBondContact O-N 3.46Å; Q690-Y693 PolarHBondContact O-N 3.06Å; Q690-Q694 VanDerWaalsContact O-CB 3.27Å; Q690-Q694 WeakPolarHBondContact O-CB 3.25Å; Q690-Q694 PolarHBondContact O-N 3.33Å |
| 691 | S | 70 | Confident | 63.4 | Low | 70 Ų | 70 | 114.3 Ų | 114.3 | 49% | 0.49 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.7 | -18 | 176.7 | 71.3 | 0 | 0 | 0 | 0 | 114.3 | A687 L688 H689 | A687-S691 WeakPolarHBondContact O-CB 3.45Å; A687-S691 PolarHBondContact O-N 3.46Å; A687-S691 PolarHBondContact O-OG 3.26Å; L688-S691 PolarHBondContact O-N 3.01Å; L688-S691 PolarHBondContact O-OG 3.13Å; H689-S691 PolarHBondContact O-N 3.04Å |
| 692 | T | 65.4 | Low | 61.7 | Low | 64 Ų | 64 | 120.4 Ų | 120.4 | 39% | 0.393 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -83.8 | -44.2 | 174.2 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | L688 H689 Q690 R695 | L688-T692 WeakPolarHBondContact O-CB 3.43Å; L688-T692 PolarHBondContact O-N 3.46Å; L688-T692 PolarHBondContact O-OG1 3.16Å; H689-T692 WeakPolarHBondContact O-CA 3.31Å; H689-T692 WeakPolarHBondContact O-CB 3.21Å; H689-T692 PolarHBondContact O-N 2.85Å; Q690-T692 PolarHBondContact O-N 3.46Å; T692-R695 WeakPolarHBondContact O-CB 3.33Å; T692-R695 PolarHBondContact O-N 3.08Å |
| 693 | Y | 60.1 | Low | 59.7 | Low | 173 Ų | 173 | 122.6 Ų | 122.6 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.5 | -47.1 | 172.6 | -84.5 | -74.9 | 0 | 0 | 0 | 111.8 | H689 Q690 R695 Y696 D697 | H689-Y693 WeakPolarHBondContact O-CD2 3.35Å; H689-Y693 PolarHBondContact O-N 3.08Å; Q690-Y693 PolarHBondContact O-N 3.06Å; Y693-R695 PolarHBondContact O-N 3.36Å; Y693-Y696 PolarHBondContact O-N 3.43Å; Y693-D697 PolarHBondContact O-N 3.38Å |
| 694 | Q | 54.1 | Low | 58.2 | Low | 141 Ų | 141 | 127.1 Ų | 127.1 | 66% | 0.659 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.2 | -4.8 | 178.3 | -160.9 | 171.1 | 24.6 | 0 | 0 | 113.5 | Q690 V698 | Q690-Q694 VanDerWaalsContact O-CB 3.27Å; Q690-Q694 WeakPolarHBondContact O-CB 3.25Å; Q690-Q694 PolarHBondContact O-N 3.33Å; Q694-V698 WeakPolarHBondContact O-CG2 3.36Å |
| 695 | R | 51 | Low | 56.2 | Low | 197 Ų | 197 | 127.2 Ų | 127.2 | 74% | 0.743 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -91.7 | -26.2 | 170.2 | -167.5 | 174.2 | -172.3 | 149.9 | 4.6 | 113.1 | T692 Y693 | T692-R695 WeakPolarHBondContact O-CB 3.33Å; T692-R695 PolarHBondContact O-N 3.08Å; Y693-R695 PolarHBondContact O-N 3.36Å |
| 696 | Y | 52.2 | Low | 54.2 | Low | 185 Ų | 185 | 131.1 Ų | 131.1 | 73% | 0.725 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -78.7 | -38.6 | 173.5 | -85.6 | -88.1 | 0 | 0 | 0 | 111.8 | Y693 V698 D699 | Y693-Y696 PolarHBondContact O-N 3.43Å; Y696-V698 PolarHBondContact O-N 2.83Å; Y696-D699 PolarHBondContact O-N 3.35Å |
| 697 | D | 48.5 | Very low | 52 | Low | 140 Ų | 140 | 128.7 Ų | 128.7 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -9.8 | 178.8 | -94.8 | -19.4 | 0 | 0 | 0 | 115.1 | Y693 | Y693-D697 PolarHBondContact O-N 3.38Š|
| 698 | V | 55.6 | Low | 49.6 | Very low | 115 Ų | 115 | 136 Ų | 136 | 70% | 0.697 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -20.5 | -176.3 | 176.4 | 0 | 0 | 0 | 0 | 112.6 | Q694 Y696 | Q694-V698 WeakPolarHBondContact O-CG2 3.36Å; Y696-V698 PolarHBondContact O-N 2.83Å |
| 699 | D | 47.3 | Very low | 47.3 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -96.7 | -1.5 | -172.5 | -74.4 | -26.1 | 0 | 0 | 0 | 113.7 | Y696 P701 | Y696-D699 PolarHBondContact O-N 3.35Å; D699-P701 VanDerWaalsContact O-CD 3.32Å; D699-P701 WeakPolarHBondContact O-CD 3.46Å |
| 700 | D | 43.8 | Very low | 45.1 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 58% | 0.578 | 72% | 0.719 | S | S | * | * | trans | -117.7 | 89 | -171.1 | -144.3 | -0.5 | 0 | 0 | 0 | 113.2 | F702 | D700-F702 PolarHBondContact O-N 3.21Å; D700-F702 VanDerWaalsContact OD1-CD2 3.23Å; D700-F702 WeakPolarHBondContact OD1-CD2 3.36Å; D700-F702 VanDerWaalsContact OD1-CE2 3.27Å; D700-F702 WeakPolarHBondContact OD1-CE2 3.48Å | ||
| 701 | P | 43.2 | Very low | 43.1 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | trans | -80.4 | 61.1 | -176.6 | 34.7 | -37.3 | 0 | 0 | 0 | 112.5 | D699 S703 | D699-P701 VanDerWaalsContact O-CD 3.32Å; D699-P701 WeakPolarHBondContact O-CD 3.46Å; P701-S703 VanDerWaalsContact C-N 3.26Å; P701-S703 PolarHBondContact O-N 3.19Å | ||
| 702 | F | 38.1 | Very low | 40.9 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 77% | 0.768 | 74% | 0.742 | S | S | * | * | trans | -73.8 | 76 | 173.3 | -93.6 | -82.3 | 0 | 0 | 0 | 112.2 | D700 V704 | D700-F702 PolarHBondContact O-N 3.21Å; D700-F702 VanDerWaalsContact OD1-CD2 3.23Å; D700-F702 WeakPolarHBondContact OD1-CD2 3.36Å; D700-F702 VanDerWaalsContact OD1-CE2 3.27Å; D700-F702 WeakPolarHBondContact OD1-CE2 3.48Å; F702-V704 PolarHBondContact O-N 3.22Å | ||
| 703 | S | 33.2 | Very low | 39 | Very low | 102 Ų | 102 | 148.8 Ų | 148.8 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -66.2 | 109.7 | 165.1 | 54.3 | 0 | 0 | 0 | 0 | 110.2 | P701 E705 | P701-S703 VanDerWaalsContact C-N 3.26Å; P701-S703 PolarHBondContact O-N 3.19Å; S703-E705 PolarHBondContact O-N 3.37Å | ||
| 704 | V | 41 | Very low | 37.3 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -75.5 | 102.1 | 173.1 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | F702 | F702-V704 PolarHBondContact O-N 3.22Š| ||
| 705 | E | 32.5 | Very low | 35.9 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -99.3 | 116.7 | 165.7 | -69.7 | -160.6 | 140.9 | 0 | 0 | 110.7 | S703 | S703-E705 PolarHBondContact O-N 3.37Š| ||
| 706 | E | 34.7 | Very low | 34.6 | Very low | 197 Ų | 197 | 143 Ų | 143 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -77 | 122.7 | 166.7 | -63.7 | -174.7 | 118.6 | 0 | 0 | 109.5 | ||||
| 707 | G | 28.6 | Very low | 33.3 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -163.5 | 43.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | S709 | G707-S709 PolarHBondContact O-N 3.03Å; G707-S709 VanDerWaalsContact O-N 3.08Å | ||
| 708 | F | 26.7 | Very low | 32.2 | Very low | 207 Ų | 207 | 143 Ų | 143 | 91% | 0.908 | 79% | 0.791 | S | S | * | * | trans | -68.1 | 104.9 | 174.8 | -111.1 | -83.9 | 0 | 0 | 0 | 111.8 | ||||
| 709 | S | 24.3 | Very low | 30.6 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -148.2 | 141 | 160.8 | 67.4 | 0 | 0 | 0 | 0 | 111.6 | G707 | G707-S709 PolarHBondContact O-N 3.03Å; G707-S709 VanDerWaalsContact O-N 3.08Å | ||
| 710 | Y | 27.2 | Very low | 29.6 | Very low | 223 Ų | 223 | 148.3 Ų | 148.3 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | -101.3 | 132.3 | 171.6 | -90.8 | -100.5 | 0 | 0 | 0 | 109.2 | ||||
| 711 | A | 26.8 | Very low | 28.7 | Very low | 101 Ų | 101 | 146.5 Ų | 146.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -144.4 | 149 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 712 | T | 24.3 | Very low | 27.7 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | trans | -118.8 | 154.5 | -167.1 | -17.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 713 | E | 26.1 | Very low | 27.8 | Very low | 194 Ų | 194 | 141.7 Ų | 141.7 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | 67.6 | 141.5 | 159.7 | -72.5 | 163.6 | -159.8 | 0 | 0 | 118.9 | ||||
| 714 | G | 25 | Very low | 27.5 | Very low | 79 Ų | 79 | 142.1 Ų | 142.1 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | 152.8 | 103.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 715 | E | 24.6 | Very low | 27.1 | Very low | 196 Ų | 196 | 144.2 Ų | 144.2 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -92.8 | -173.9 | 174.3 | -64.5 | -173.9 | 115.9 | 0 | 0 | 112.3 | ||||
| 716 | S | 23.6 | Very low | 26.8 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 75.9 | 127.1 | -176.3 | 77.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 717 | Q | 23.8 | Very low | 26.6 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | cis | 107.4 | 143.9 | 16.7 | -166.2 | -167.2 | -50.5 | 0 | 0 | 113 | ||||
| 718 | E | 24.8 | Very low | 26.5 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 81.2 | 120.1 | 177 | -46.6 | -165.2 | 160.5 | 0 | 0 | 113.9 | ||||
| 719 | D | 23.7 | Very low | 26.6 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | cis | 103.8 | 157.5 | 25.4 | -165.9 | 28.4 | 0 | 0 | 0 | 113.1 | ||||
| 720 | W | 25.2 | Very low | 26.8 | Very low | 225 Ų | 225 | 140.5 Ų | 140.5 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | trans | 73.8 | 139.1 | -174.9 | -49.5 | 90.1 | 0 | 0 | 0 | 116 | ||||
| 721 | G | 24.6 | Very low | 26.7 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | cis | -177.1 | 160.7 | -5.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 722 | G | 22.3 | Very low | 26.7 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | -86.1 | -148.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 723 | P | 39.9 | Very low | 26.7 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | cis | -142.5 | -164.4 | 2.7 | 41.5 | -21.1 | 0 | 0 | 0 | 114.9 | ||||
| 724 | T | 28.6 | Very low | 26.7 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | trans | 65.3 | 153.3 | 159.1 | 57.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 725 | E | 31.6 | Very low | 26.8 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | cis | -170.1 | 165.8 | -13.5 | -104.3 | 168.6 | -165.2 | 0 | 0 | 105.8 | ||||
| 726 | D | 26.4 | Very low | 27 | Very low | 117 Ų | 117 | 139 Ų | 139 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | cis | -166.5 | 153.3 | -31.1 | 171 | 40.8 | 0 | 0 | 0 | 107.6 | ||||
| 727 | K | 29.9 | Very low | 27.2 | Very low | 201 Ų | 201 | 136.8 Ų | 136.8 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | 176.3 | 92.8 | 154.2 | -100.3 | 156 | -172.1 | 171.7 | 0 | 111.3 | ||||
| 728 | G | 26.6 | Very low | 27.4 | Very low | 48 Ų | 48 | 138 Ų | 138 | 50% | 0.495 | 72% | 0.721 | S | S | . | * | trans | -71.3 | -164.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 729 | F | 28.3 | Very low | 27.6 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 72% | 0.719 | 72% | 0.715 | S | S | * | * | cis | -158.2 | 172.6 | 8.9 | -70.4 | -83.3 | 0 | 0 | 0 | 106.8 | ||||
| 730 | Y | 28.6 | Very low | 27.7 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 61% | 0.612 | 73% | 0.725 | S | S | * | * | cis | -159.6 | -171.4 | 2.3 | -121.5 | -29 | 0 | 0 | 0 | 106.4 | ||||
| 731 | Y | 26.8 | Very low | 27.8 | Very low | 183 Ų | 183 | 128.4 Ų | 128.4 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | cis | -135.8 | -142.6 | 8.2 | -131.2 | -46.8 | 0 | 0 | 0 | 111.7 | ||||
| 732 | Q | 24.9 | Very low | 27.8 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | trans | -143.8 | 150.1 | -155.5 | -178 | 177.8 | -19 | 0 | 0 | 114.9 | M734 | Q732-M734 PolarHBondContact NE2-SD 2.69Š| ||
| 733 | Q | 25.3 | Very low | 27.9 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 88% | 0.879 | 73% | 0.725 | S | S | * | * | trans | -95.6 | 126 | 166.6 | -178.7 | -176 | 9.7 | 0 | 0 | 111.1 | ||||
| 734 | M | 25.8 | Very low | 27.2 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | -174.7 | 155.9 | 168.9 | -100.6 | -178.8 | 167.3 | 0 | 0 | 107.3 | Q732 | Q732-M734 PolarHBondContact NE2-SD 2.69Š| ||
| 735 | S | 27.4 | Very low | 26.9 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | cis | -168.6 | -157.9 | -21.4 | 51.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 736 | D | 28.2 | Very low | 26.6 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | 92 | 140.1 | 160.2 | -75.6 | 43 | 0 | 0 | 0 | 118.4 | ||||
| 737 | A | 28.6 | Very low | 26.6 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 56% | 0.562 | 74% | 0.738 | S | S | * | * | cis | -165 | 157.3 | -5.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 738 | K | 27.9 | Very low | 26.4 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | 65.8 | 160.7 | 146.4 | -71.8 | 156.2 | -171.4 | 165.9 | 0 | 119.8 | ||||
| 739 | A | 27.9 | Very low | 26.2 | Very low | 75 Ų | 75 | 142 Ų | 142 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | cis | -174.7 | 151.5 | -32.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 740 | N | 27.7 | Very low | 26.1 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | 63.3 | 156.4 | 166.9 | -57.8 | -22 | 0 | 0 | 0 | 117.4 | ||||
| 741 | G | 25.7 | Very low | 25.9 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | cis | 172.4 | 131.2 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 742 | R | 24.7 | Very low | 25.9 | Very low | 239 Ų | 239 | 141.3 Ų | 141.3 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | 48.5 | 130.4 | 157.6 | -85.1 | -174.9 | 171.3 | 161.4 | -1.7 | 123.4 | ||||
| 743 | T | 25.6 | Very low | 25.9 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 79.8 | 110.2 | 135.9 | 51 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 744 | S | 23.7 | Very low | 26.1 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | 93.7 | 138 | 118.3 | -155.9 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 745 | S | 23.9 | Very low | 26.1 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | 91.3 | 106.5 | 145.4 | 73.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 746 | K | 25.3 | Very low | 26 | Very low | 207 Ų | 207 | 142.1 Ų | 142.1 | 90% | 0.9 | 77% | 0.767 | S | S | * | * | 32.1 | 115.2 | 128.8 | -77.8 | -179.5 | 176.3 | 174.8 | 0 | 122.3 | |||||
| 747 | A | 26.1 | Very low | 25.8 | Very low | 86 Ų | 86 | 139.8 Ų | 139.8 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | 110.8 | 143 | 105.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 748 | K | 25.2 | Very low | 25.9 | Very low | 210 Ų | 210 | 144.9 Ų | 144.9 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | trans | 66.4 | 114.1 | 150.9 | -73.7 | 174.4 | 177.1 | 178.5 | 0 | 122 | ||||
| 749 | S | 23.3 | Very low | 25.9 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | 169.1 | 121.1 | 114.2 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 750 | K | 26.2 | Very low | 25.8 | Very low | 202 Ų | 202 | 143.3 Ų | 143.3 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | 77.6 | 126.7 | 59.2 | -143.1 | -172.1 | -165.8 | -171.9 | 0 | 114.1 | |||||
| 751 | S | 24 | Very low | 25.8 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | 110.7 | 142.8 | 166.4 | -164.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 752 | K | 26.5 | Very low | 25.8 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 74% | 0.735 | 76% | 0.763 | S | S | * | * | cis | -172.6 | 138.3 | -35.6 | -156.4 | -172.9 | -176.4 | -172.5 | 0 | 110.8 | ||||
| 753 | H | 25.8 | Very low | 25.9 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | trans | 64.8 | 130.7 | 150.6 | -89.4 | -9.2 | 0 | 0 | 0 | 121.4 | ||||
| 754 | K | 28.3 | Very low | 26 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | 72.9 | 149.9 | 89.7 | -87.2 | -163.1 | 165.6 | -149 | 0 | 114.1 | |||||
| 755 | Q | 26.2 | Very low | 26.1 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 59% | 0.593 | 75% | 0.75 | S | S | * | * | cis | -174.8 | 152.5 | -12.2 | -179.4 | 179 | -2.1 | 0 | 0 | 107.9 | ||||
| 756 | N | 24.5 | Very low | 26.3 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | 167.4 | 169.3 | 133.8 | -86.7 | 4.1 | 0 | 0 | 0 | 113.7 | ||||
| 757 | S | 25.9 | Very low | 26.6 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | trans | -121 | 177.6 | -165 | -48.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 758 | E | 29.3 | Very low | 26.7 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 77.7 | 112.5 | 139.7 | -81.9 | 152.3 | -121.3 | 0 | 0 | 121.9 | ||||
| 759 | A | 28.1 | Very low | 26.9 | Very low | 83 Ų | 83 | 139.6 Ų | 139.6 | 69% | 0.686 | 74% | 0.738 | S | S | * | * | 101 | 130.1 | 105.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 760 | L | 26 | Very low | 28.4 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | trans | 83.3 | 126.9 | 140.6 | -68.7 | 162.2 | 0 | 0 | 0 | 123.4 | ||||
| 761 | I | 27.4 | Very low | 28.8 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | trans | 87.6 | 116.3 | 133 | -73.1 | 170.4 | 0 | 0 | 0 | 121.5 | ||||
| 762 | A | 26.2 | Very low | 29.1 | Very low | 77 Ų | 77 | 143.7 Ų | 143.7 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | 63.8 | 143.3 | 142.3 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 763 | N | 26.3 | Very low | 29.2 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | 40.6 | 144 | 129.7 | -67 | 46.1 | 0 | 0 | 0 | 120.7 | |||||
| 764 | D | 27 | Very low | 29.4 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | cis | -157.6 | 166.8 | 21.5 | -114.4 | -33.4 | 0 | 0 | 0 | 113.2 | ||||
| 765 | E | 27.5 | Very low | 29.5 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | 50.3 | 148.4 | 146.9 | -74 | -165 | 145.9 | 0 | 0 | 126.5 | ||||
| 766 | L | 27.9 | Very low | 29.7 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | trans | 83.8 | 105.9 | 146.9 | -75.8 | 159 | 0 | 0 | 0 | 123.3 | ||||
| 767 | D | 30.4 | Very low | 30 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | 19.9 | 126 | 130.9 | -70.2 | -29.8 | 0 | 0 | 0 | 120.9 | ||||
| 768 | Y | 29.5 | Very low | 30.3 | Very low | 225 Ų | 225 | 145.3 Ų | 145.3 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | -164 | 155.9 | 93 | -123.9 | -104.7 | 0 | 0 | 0 | 112.9 | |||||
| 769 | S | 29.8 | Very low | 30.4 | Very low | 100 Ų | 100 | 143 Ų | 143 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -93.4 | -174.8 | 165.7 | -136.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 770 | P | 53.4 | Low | 30.6 | Very low | 110 Ų | 110 | 148 Ų | 148 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | cis | -132.6 | 165.9 | -7.5 | 41.7 | -26.1 | 0 | 0 | 0 | 115.1 | ||||
| 771 | E | 35.4 | Very low | 31 | Very low | 266 Ų | 266 | 147.5 Ų | 147.5 | 100% | 1.243 | 78% | 0.776 | S | S | * | * | -166 | 0 | 108.9 | -101.2 | -172.7 | 175.1 | 0 | 0 | 110.7 |
Retrieved 771 of 771 residues in 4712.1 ms
(Link to these results)