| 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 | 40.1 | Very low | 46.4 | Very low | 236 Ų | 236 | 174.2 Ų | 174.2 | 100% | 1.163 | 84% | 0.837 | S | S | * | * | 0 | 89.7 | 0 | -80 | 162.3 | 165.6 | 0 | 0 | 106.3 | M3 | M1-M3 PolarHBondContact O-N 3.23Š| |||
| 2 | D | 43.5 | Very low | 46.2 | Very low | 162 Ų | 162 | 174.4 Ų | 174.4 | 87% | 0.866 | 84% | 0.836 | S | S | * | * | trans | -68 | 118.9 | 179.2 | -67.9 | -62.5 | 0 | 0 | 0 | 109.4 | M4 | D2-M4 PolarHBondContact O-N 2.98Š| ||
| 3 | M | 47.4 | Very low | 46.1 | Very low | 191 Ų | 191 | 171.1 Ų | 171.1 | 94% | 0.941 | 84% | 0.837 | S | S | * | * | trans | -72.9 | 112.9 | 175.3 | -74.5 | -171.9 | -81.3 | 0 | 0 | 108.8 | M1 D5 | M1-M3 PolarHBondContact O-N 3.23Å; M3-D5 PolarHBondContact O-N 2.95Å | ||
| 4 | M | 50 | Low | 46.2 | Very low | 180 Ų | 180 | 163.9 Ų | 163.9 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | trans | -62.3 | 131.5 | 176.4 | -77.4 | 142.2 | 178.7 | 0 | 0 | 111.2 | D2 | D2-M4 PolarHBondContact O-N 2.98Š| ||
| 5 | D | 49.1 | Very low | 46.3 | Very low | 91 Ų | 91 | 156.8 Ų | 156.8 | 49% | 0.487 | 81% | 0.813 | S | S | . | * | trans | -58.8 | 123.1 | -179 | -174.2 | -18.3 | 0 | 0 | 0 | 111.5 | M3 R7 M8 | M3-D5 PolarHBondContact O-N 2.95Å; D5-R7 PolarHBondContact O-N 3.31Å; D5-R7 WeakPolarHBondContact OD1-CB 3.41Å; D5-R7 VanDerWaalsContact OD1-CG 3.31Å; D5-R7 WeakPolarHBondContact OD1-CG 3.39Å; D5-R7 PolarHBondContact OD1-N 3.16Å; D5-M8 PolarHBondContact O-N 3.43Å | ||
| 6 | P | 49 | Very low | 46.3 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -58.3 | -13.4 | 178.1 | -23.6 | 32.7 | 0 | 0 | 0 | 115.1 | M8 Y9 | P6-M8 PolarHBondContact O-N 3.25Å; P6-Y9 PolarHBondContact O-N 2.95Å |
| 7 | R | 50.5 | Low | 46.3 | Very low | 213 Ų | 213 | 147.4 Ų | 147.4 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -69.8 | -13.8 | 178.8 | -69.7 | 176.3 | 174.6 | -165.2 | 0.4 | 114.2 | D5 Y9 | D5-R7 PolarHBondContact O-N 3.31Å; D5-R7 WeakPolarHBondContact OD1-CB 3.41Å; D5-R7 VanDerWaalsContact OD1-CG 3.31Å; D5-R7 WeakPolarHBondContact OD1-CG 3.39Å; D5-R7 PolarHBondContact OD1-N 3.16Å; R7-Y9 VanDerWaalsContact C-N 3.29Å; R7-Y9 PolarHBondContact O-N 3.06Å |
| 8 | M | 43 | Very low | 46.3 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 84% | 0.837 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -78.6 | -9 | 179.6 | -66.9 | -65.9 | -80.2 | 0 | 0 | 113.8 | D5 P6 | D5-M8 PolarHBondContact O-N 3.43Å; P6-M8 PolarHBondContact O-N 3.25Å |
| 9 | Y | 46.2 | Very low | 46.2 | Very low | 219 Ų | 219 | 141.4 Ų | 141.4 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -96.9 | 3.4 | -173.9 | -129 | -87 | 0 | 0 | 0 | 115.7 | P6 R7 | P6-Y9 PolarHBondContact O-N 2.95Å; R7-Y9 VanDerWaalsContact C-N 3.29Å; R7-Y9 PolarHBondContact O-N 3.06Å |
| 10 | S | 45.2 | Very low | 46.3 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | -110.2 | 17.1 | -172 | -66.7 | 0 | 0 | 0 | 0 | 115.8 | E12 | S10-E12 PolarHBondContact O-N 2.57Š| ||
| 11 | R | 46.3 | Very low | 46.1 | Very low | 236 Ų | 236 | 139.5 Ų | 139.5 | 89% | 0.891 | 74% | 0.737 | S | S | * | * | trans | -99.5 | 70.7 | 173.1 | -145.1 | 175.2 | -169.6 | 167.1 | 1.7 | 110.4 | P13 | R11-P13 VanDerWaalsContact O-CD 3.25Å; R11-P13 WeakPolarHBondContact O-CD 3.24Å | ||
| 12 | E | 44.5 | Very low | 46.3 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | trans | -58 | 114.2 | 162.7 | -74.5 | -99.6 | 133 | 0 | 0 | 108.6 | S10 G14 | S10-E12 PolarHBondContact O-N 2.57Å; E12-G14 VanDerWaalsContact C-N 3.35Å; E12-G14 PolarHBondContact O-N 3.34Å; E12-G14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | P | 44 | Very low | 46.3 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 85% | 0.851 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 82 | 178.4 | 33.3 | -26.5 | 0 | 0 | 0 | 107.9 | R11 | R11-P13 VanDerWaalsContact O-CD 3.25Å; R11-P13 WeakPolarHBondContact O-CD 3.24Å |
| 14 | G | 47.6 | Very low | 46.3 | Very low | 71 Ų | 71 | 124 Ų | 124 | 73% | 0.732 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.4 | 7.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | E12 | E12-G14 VanDerWaalsContact C-N 3.35Å; E12-G14 PolarHBondContact O-N 3.34Å; E12-G14 VanDerWaalsContact O-N 3.08Å |
| 15 | G | 48.4 | Very low | 46.4 | Very low | 57 Ų | 57 | 121.7 Ų | 121.7 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -81 | 136.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T17 | G15-T17 PolarHBondContact O-N 3.43Å; G15-T17 VanDerWaalsContact O-N 3.16Å |
| 16 | P | 46 | Very low | 46.7 | Very low | 74 Ų | 74 | 122 Ų | 122 | 48% | 0.481 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 124.7 | 173.4 | 22.1 | -30 | 0 | 0 | 0 | 108.5 | D20 | P16-D20 HydrophobicContact CB-CB 4.01Š|
| 17 | T | 46.6 | Very low | 46.8 | Very low | 79 Ų | 79 | 120.7 Ų | 120.7 | 49% | 0.485 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 158.9 | -175.3 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | G15 V19 D20 R21 | G15-T17 PolarHBondContact O-N 3.43Å; G15-T17 VanDerWaalsContact O-N 3.16Å; T17-V19 PolarHBondContact O-N 2.92Å; T17-D20 PolarHBondContact N-OD2 3.12Å; T17-D20 WeakPolarHBondContact O-CB 3.46Å; T17-D20 PolarHBondContact O-N 2.83Å; T17-D20 PolarHBondContact OG1-OD2 3.46Å; T17-R21 PolarHBondContact O-N 3.34Å |
| 18 | A | 45.6 | Very low | 46.9 | Very low | 71 Ų | 71 | 114.8 Ų | 114.8 | 59% | 0.587 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -55.2 | -26.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q22 | A18-Q22 PolarHBondContact O-N 3.45Å |
| 19 | V | 44.9 | Very low | 47.7 | Very low | 110 Ų | 110 | 111.4 Ų | 111.4 | 67% | 0.667 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.9 | -42.4 | 175.5 | -155.4 | 0 | 0 | 0 | 0 | 111.4 | T17 R21 Q22 G23 | T17-V19 PolarHBondContact O-N 2.92Å; V19-R21 PolarHBondContact O-N 3.44Å; V19-Q22 PolarHBondContact O-N 3.13Å; V19-G23 PolarHBondContact O-N 3.01Å |
| 20 | D | 47.8 | Very low | 48.4 | Very low | 82 Ų | 82 | 106 Ų | 106 | 44% | 0.439 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.4 | -39.2 | 177.1 | -61.7 | -48.2 | 0 | 0 | 0 | 111.8 | P16 T17 Q22 G23 I24 | P16-D20 HydrophobicContact CB-CB 4.01Å; T17-D20 PolarHBondContact N-OD2 3.12Å; T17-D20 WeakPolarHBondContact O-CB 3.46Å; T17-D20 PolarHBondContact O-N 2.83Å; T17-D20 PolarHBondContact OG1-OD2 3.46Å; D20-Q22 VanDerWaalsContact C-N 3.33Å; D20-Q22 PolarHBondContact O-N 2.8Å; D20-G23 PolarHBondContact O-N 2.87Å; D20-I24 WeakPolarHBondContact O-CB 3.28Å; D20-I24 VanDerWaalsContact O-CD1 3.3Å; D20-I24 WeakPolarHBondContact O-CD1 3.31Å; D20-I24 WeakPolarHBondContact O-CG1 3.28Å; D20-I24 PolarHBondContact O-N 3.25Å |
| 21 | R | 42.8 | Very low | 49 | Very low | 162 Ų | 162 | 105.2 Ų | 105.2 | 61% | 0.611 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.4 | -36.1 | 177.6 | -72.8 | -172.2 | -178.9 | -151.6 | -0.5 | 112.6 | T17 V19 K25 | T17-R21 PolarHBondContact O-N 3.34Å; V19-R21 PolarHBondContact O-N 3.44Å; R21-K25 PolarHBondContact O-N 2.99Å |
| 22 | Q | 43.2 | Very low | 49.7 | Very low | 129 Ų | 129 | 99.8 Ų | 99.8 | 60% | 0.603 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74.1 | -41.4 | 178.3 | -78.7 | 167.6 | 14.8 | 0 | 0 | 111.6 | A18 V19 D20 I24 K25 I26 | A18-Q22 PolarHBondContact O-N 3.45Å; V19-Q22 PolarHBondContact O-N 3.13Å; D20-Q22 VanDerWaalsContact C-N 3.33Å; D20-Q22 PolarHBondContact O-N 2.8Å; Q22-I24 VanDerWaalsContact C-N 3.35Å; Q22-I24 PolarHBondContact O-N 3Å; Q22-K25 PolarHBondContact O-N 2.94Å; Q22-I26 WeakPolarHBondContact O-CG1 3.49Å; Q22-I26 PolarHBondContact O-N 2.97Å; Q22-I26 VanDerWaalsContact O-N 3.14Å |
| 23 | G | 43.4 | Very low | 51 | Low | 35 Ų | 35 | 95 Ų | 95 | 36% | 0.361 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V19 D20 K25 I26 V27 | V19-G23 PolarHBondContact O-N 3.01Å; D20-G23 PolarHBondContact O-N 2.87Å; G23-K25 PolarHBondContact O-N 3.46Å; G23-I26 PolarHBondContact O-N 3.45Å; G23-V27 VanDerWaalsContact O-CG2 3.26Å; G23-V27 WeakPolarHBondContact O-CG2 3.09Å; G23-V27 PolarHBondContact O-N 3.18Å; G23-V27 VanDerWaalsContact O-N 3.08Å |
| 24 | I | 48.5 | Very low | 52 | Low | 100 Ų | 100 | 93.5 Ų | 93.5 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 178.3 | -69 | 164.1 | 0 | 0 | 0 | 112 | D20 Q22 L28 | D20-I24 WeakPolarHBondContact O-CB 3.28Å; D20-I24 VanDerWaalsContact O-CD1 3.3Å; D20-I24 WeakPolarHBondContact O-CD1 3.31Å; D20-I24 WeakPolarHBondContact O-CG1 3.28Å; D20-I24 PolarHBondContact O-N 3.25Å; Q22-I24 VanDerWaalsContact C-N 3.35Å; Q22-I24 PolarHBondContact O-N 3Å; I24-L28 HydrophobicContact CG2-CD1 3.93Å; I24-L28 WeakPolarHBondContact O-CB 3.3Å; I24-L28 WeakPolarHBondContact O-CG 3.43Å; I24-L28 PolarHBondContact O-N 2.97Å; I24-L28 VanDerWaalsContact O-N 3.11Å |
| 25 | K | 51.2 | Low | 52.9 | Low | 131 Ų | 131 | 94 Ų | 94 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -45.4 | 178 | -172.9 | -178.3 | 172.3 | -168.8 | 0 | 111.5 | R21 Q22 G23 L28 E29 | R21-K25 PolarHBondContact O-N 2.99Å; Q22-K25 PolarHBondContact O-N 2.94Å; G23-K25 PolarHBondContact O-N 3.46Å; K25-L28 PolarHBondContact O-N 3.41Å; K25-E29 WeakPolarHBondContact CE-OE1 3.31Å; K25-E29 WeakPolarHBondContact O-CG 3.48Å; K25-E29 PolarHBondContact O-N 3.42Å |
| 26 | I | 55.1 | Low | 53.8 | Low | 97 Ų | 97 | 97.8 Ų | 97.8 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 179.1 | -65.9 | 165.2 | 0 | 0 | 0 | 110.5 | Q22 G23 L28 E29 D30 | Q22-I26 WeakPolarHBondContact O-CG1 3.49Å; Q22-I26 PolarHBondContact O-N 2.97Å; Q22-I26 VanDerWaalsContact O-N 3.14Å; G23-I26 PolarHBondContact O-N 3.45Å; I26-L28 VanDerWaalsContact C-N 3.3Å; I26-L28 PolarHBondContact O-N 2.89Å; I26-E29 PolarHBondContact O-N 3.07Å; I26-D30 PolarHBondContact O-N 2.91Å |
| 27 | V | 51.2 | Low | 54.9 | Low | 85 Ų | 85 | 99.2 Ų | 99.2 | 52% | 0.515 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 179.1 | 172 | 0 | 0 | 0 | 0 | 111.9 | G23 I31 | G23-V27 VanDerWaalsContact O-CG2 3.26Å; G23-V27 WeakPolarHBondContact O-CG2 3.09Å; G23-V27 PolarHBondContact O-N 3.18Å; G23-V27 VanDerWaalsContact O-N 3.08Å; V27-I31 HydrophobicContact CG1-CD1 3.84Å; V27-I31 VanDerWaalsContact O-CD1 3.3Å; V27-I31 WeakPolarHBondContact O-CD1 3.49Å; V27-I31 WeakPolarHBondContact O-CG1 3.42Å; V27-I31 PolarHBondContact O-N 3.37Å; V27-I31 VanDerWaalsContact O-N 3.13Å |
| 28 | L | 52.6 | Low | 55.7 | Low | 88 Ų | 88 | 96.7 Ų | 96.7 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.5 | -38 | 177.6 | -78.1 | 166.5 | 0 | 0 | 0 | 113 | I24 K25 I26 I31 F32 | I24-L28 HydrophobicContact CG2-CD1 3.93Å; I24-L28 WeakPolarHBondContact O-CB 3.3Å; I24-L28 WeakPolarHBondContact O-CG 3.43Å; I24-L28 PolarHBondContact O-N 2.97Å; I24-L28 VanDerWaalsContact O-N 3.11Å; K25-L28 PolarHBondContact O-N 3.41Å; I26-L28 VanDerWaalsContact C-N 3.3Å; I26-L28 PolarHBondContact O-N 2.89Å; L28-I31 PolarHBondContact O-N 2.94Å; L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 PolarHBondContact O-N 3.03Å |
| 29 | E | 61.6 | Low | 56.5 | Low | 100 Ų | 100 | 95.7 Ų | 95.7 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 176.9 | -75.3 | 170.8 | 177 | 0 | 0 | 111.4 | K25 I26 F32 T33 | K25-E29 WeakPolarHBondContact CE-OE1 3.31Å; K25-E29 WeakPolarHBondContact O-CG 3.48Å; K25-E29 PolarHBondContact O-N 3.42Å; I26-E29 PolarHBondContact O-N 3.07Å; E29-F32 PolarHBondContact O-N 2.98Å; E29-T33 WeakPolarHBondContact O-CB 3.34Å; E29-T33 PolarHBondContact O-N 3.46Å; E29-T33 PolarHBondContact O-OG1 3.28Å |
| 30 | D | 59 | Low | 57.7 | Low | 106 Ų | 106 | 94.4 Ų | 94.4 | 57% | 0.567 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 175 | -79 | -18.2 | 0 | 0 | 0 | 112 | I26 F32 T33 L34 | I26-D30 PolarHBondContact O-N 2.91Å; D30-F32 VanDerWaalsContact C-N 3.32Å; D30-F32 PolarHBondContact O-N 3.49Å; D30-T33 PolarHBondContact O-N 3.43Å; D30-L34 WeakPolarHBondContact O-CB 3.36Å; D30-L34 PolarHBondContact O-N 3.34Å |
| 31 | I | 59.2 | Low | 59.1 | Low | 88 Ų | 88 | 97.5 Ų | 97.5 | 45% | 0.451 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 175.5 | -70.3 | 165.3 | 0 | 0 | 0 | 110.8 | V27 L28 T33 W35 | V27-I31 HydrophobicContact CG1-CD1 3.84Å; V27-I31 VanDerWaalsContact O-CD1 3.3Å; V27-I31 WeakPolarHBondContact O-CD1 3.49Å; V27-I31 WeakPolarHBondContact O-CG1 3.42Å; V27-I31 PolarHBondContact O-N 3.37Å; V27-I31 VanDerWaalsContact O-N 3.13Å; L28-I31 PolarHBondContact O-N 2.94Å; I31-T33 VanDerWaalsContact C-N 3.34Å; I31-W35 VanDerWaalsContact O-CB 3.31Å; I31-W35 WeakPolarHBondContact O-CB 3.48Å; I31-W35 PolarHBondContact O-N 2.98Å |
| 32 | F | 60.4 | Low | 60.1 | Low | 122 Ų | 122 | 92.2 Ų | 92.2 | 54% | 0.535 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.7 | -35.9 | -179.6 | -139.3 | -89.8 | 0 | 0 | 0 | 112.1 | L28 E29 D30 W35 R36 | L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 PolarHBondContact O-N 3.03Å; E29-F32 PolarHBondContact O-N 2.98Å; D30-F32 VanDerWaalsContact C-N 3.32Å; D30-F32 PolarHBondContact O-N 3.49Å; F32-W35 HydrophobicContact CE1-CE3 4.34Å; F32-W35 HydrophobicContact CE1-CZ3 4.42Å; F32-W35 HydrophobicContact CZ-CE3 4.34Å; F32-W35 HydrophobicContact CZ-CZ3 4.21Å; F32-W35 PolarHBondContact O-N 3.44Å; F32-R36 WeakPolarHBondContact O-CG 3.24Å; F32-R36 PolarHBondContact O-N 3.07Å |
| 33 | T | 72.8 | Confident | 61.1 | Low | 77 Ų | 77 | 91.7 Ų | 91.7 | 47% | 0.472 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.6 | -45.8 | 178.1 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | E29 D30 I31 W35 R36 Q37 | E29-T33 WeakPolarHBondContact O-CB 3.34Å; E29-T33 PolarHBondContact O-N 3.46Å; E29-T33 PolarHBondContact O-OG1 3.28Å; D30-T33 PolarHBondContact O-N 3.43Å; I31-T33 VanDerWaalsContact C-N 3.34Å; T33-W35 VanDerWaalsContact C-N 3.28Å; T33-W35 PolarHBondContact O-N 2.88Å; T33-R36 PolarHBondContact O-N 2.89Å; T33-Q37 WeakPolarHBondContact O-CG 3.29Å; T33-Q37 PolarHBondContact O-N 3.27Å |
| 34 | L | 65.1 | Low | 62.4 | Low | 99 Ų | 99 | 92.3 Ų | 92.3 | 52% | 0.518 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 174.4 | -171.4 | 66.2 | 0 | 0 | 0 | 111.3 | D30 Q37 V38 | D30-L34 WeakPolarHBondContact O-CB 3.36Å; D30-L34 PolarHBondContact O-N 3.34Å; L34-Q37 PolarHBondContact O-N 2.84Å; L34-V38 PolarHBondContact O-N 3.06Å; L34-V38 VanDerWaalsContact O-N 3.1Å |
| 35 | W | 65 | Low | 63.4 | Low | 81 Ų | 81 | 92.6 Ų | 92.6 | 31% | 0.307 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 176.2 | -172.4 | 56.2 | 0 | 0 | 0 | 112.4 | I31 F32 T33 Q37 V38 E39 F110 | I31-W35 VanDerWaalsContact O-CB 3.31Å; I31-W35 WeakPolarHBondContact O-CB 3.48Å; I31-W35 PolarHBondContact O-N 2.98Å; F32-W35 HydrophobicContact CE1-CE3 4.34Å; F32-W35 HydrophobicContact CE1-CZ3 4.42Å; F32-W35 HydrophobicContact CZ-CE3 4.34Å; F32-W35 HydrophobicContact CZ-CZ3 4.21Å; F32-W35 PolarHBondContact O-N 3.44Å; T33-W35 VanDerWaalsContact C-N 3.28Å; T33-W35 PolarHBondContact O-N 2.88Å; W35-Q37 VanDerWaalsContact C-N 3.34Å; W35-Q37 PolarHBondContact O-N 3.37Å; W35-V38 PolarHBondContact O-N 3.42Å; W35-E39 VanDerWaalsContact O-CB 3.28Å; W35-E39 WeakPolarHBondContact O-CB 3.15Å; W35-E39 PolarHBondContact O-N 3.13Å; W35-F110 AromaticContact CD1-CD2 3.55Å; W35-F110 AromaticContact CD1-CE2 3.13Å; W35-F110 AromaticContact CD1-CZ 3.82Å; W35-F110 HydrophobicContact CD2-CE2 4.2Å; W35-F110 AromaticContact CE2-CE2 3.66Å; W35-F110 AromaticContact CE2-CZ 3.57Å; W35-F110 AromaticContact CG-CE2 3.91Å; W35-F110 HydrophobicContact CG-CE2 3.91Å; W35-F110 HydrophobicContact CZ2-CE2 4.42Å; W35-F110 AromaticContact CZ2-CZ 3.9Å; W35-F110 HydrophobicContact CZ2-CZ 3.9Å; W35-F110 AromaticContact NE1-CD2 3.67Å; W35-F110 AromaticContact NE1-CE1 3.95Å; W35-F110 AromaticContact NE1-CE2 2.96Å; W35-F110 AromaticContact NE1-CZ 3.1Å |
| 36 | R | 68.1 | Low | 64 | Low | 137 Ų | 137 | 90.1 Ų | 90.1 | 52% | 0.517 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 175.6 | -82.2 | -79.9 | 179.1 | -178.9 | -1.3 | 112.7 | F32 T33 T40 | F32-R36 WeakPolarHBondContact O-CG 3.24Å; F32-R36 PolarHBondContact O-N 3.07Å; T33-R36 PolarHBondContact O-N 2.89Å; R36-T40 VanDerWaalsContact O-CG2 3.31Å; R36-T40 WeakPolarHBondContact O-CG2 3.2Å; R36-T40 PolarHBondContact O-N 3.28Å; R36-T40 VanDerWaalsContact O-N 3.08Å; R36-T40 PolarHBondContact O-OG1 2.9Å |
| 37 | Q | 68.5 | Low | 64.6 | Low | 104 Ų | 104 | 94 Ų | 94 | 49% | 0.486 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 179.1 | -74.7 | -172.7 | 6.4 | 0 | 0 | 112.1 | T33 L34 W35 T40 K41 | T33-Q37 WeakPolarHBondContact O-CG 3.29Å; T33-Q37 PolarHBondContact O-N 3.27Å; L34-Q37 PolarHBondContact O-N 2.84Å; W35-Q37 VanDerWaalsContact C-N 3.34Å; W35-Q37 PolarHBondContact O-N 3.37Å; Q37-T40 PolarHBondContact O-OG1 3.18Å; Q37-K41 WeakPolarHBondContact O-CG 3.17Å; Q37-K41 PolarHBondContact O-N 3.07Å; Q37-K41 VanDerWaalsContact O-N 3.14Å |
| 38 | V | 63.1 | Low | 65.6 | Low | 27 Ų | 27 | 97.3 Ų | 97.3 | 16% | 0.164 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -76.2 | -35.5 | -179.6 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | L34 W35 T40 K41 V42 Y106 | L34-V38 PolarHBondContact O-N 3.06Å; L34-V38 VanDerWaalsContact O-N 3.1Å; W35-V38 PolarHBondContact O-N 3.42Å; V38-T40 VanDerWaalsContact C-N 3.28Å; V38-T40 PolarHBondContact O-N 3.41Å; V38-K41 PolarHBondContact O-N 2.78Å; V38-V42 HydrophobicContact CG1-CG2 4.13Å; V38-V42 WeakPolarHBondContact O-CG2 3.43Å; V38-V42 PolarHBondContact O-N 2.95Å; V38-Y106 HydrophobicContact CB-CD1 4.47Å; V38-Y106 HydrophobicContact CB-CE1 3.63Å; V38-Y106 HydrophobicContact CB-CE2 4.01Å; V38-Y106 WeakPolarHBondContact CB-OH 3.33Å; V38-Y106 HydrophobicContact CG1-CD1 3.61Å; V38-Y106 HydrophobicContact CG1-CD2 4.17Å; V38-Y106 HydrophobicContact CG1-CE1 3.22Å; V38-Y106 HydrophobicContact CG1-CE2 3.84Å; V38-Y106 HydrophobicContact CG1-CG 4.07Å; V38-Y106 HydrophobicContact CG2-CD2 4.5Å; V38-Y106 HydrophobicContact CG2-CE1 4.14Å; V38-Y106 HydrophobicContact CG2-CE2 3.57Å; V38-Y106 WeakPolarHBondContact CG2-OH 3.4Å |
| 39 | E | 63.6 | Low | 66.1 | Low | 50 Ų | 50 | 99 Ų | 99 | 23% | 0.234 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -59.1 | -40.9 | 174.2 | -167.5 | -177.9 | -159.8 | 0 | 0 | 111.9 | W35 R43 | W35-E39 VanDerWaalsContact O-CB 3.28Å; W35-E39 WeakPolarHBondContact O-CB 3.15Å; W35-E39 PolarHBondContact O-N 3.13Å; E39-R43 WeakPolarHBondContact O-CB 3.46Å; E39-R43 VanDerWaalsContact O-CG 3.24Å; E39-R43 WeakPolarHBondContact O-CG 3.42Å; E39-R43 PolarHBondContact O-N 3.27Å; E39-R43 IonicContact OE1-CZ 3.51Å; E39-R43 IonicContact OE1-NE 3.53Å; E39-R43 IonicContact OE1-NH2 2.64Å; E39-R43 PolarHBondContact OE1-NH2 2.99Å; E39-R43 IonicContact OE2-NH2 3.38Å; E39-R43 PolarHBondContact OE2-NH2 3.31Å |
| 40 | T | 70.5 | Confident | 66 | Low | 82 Ų | 82 | 101.5 Ų | 101.5 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.7 | -41 | 176.2 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | R36 Q37 V38 R43 A44 | R36-T40 VanDerWaalsContact O-CG2 3.31Å; R36-T40 WeakPolarHBondContact O-CG2 3.2Å; R36-T40 PolarHBondContact O-N 3.28Å; R36-T40 VanDerWaalsContact O-N 3.08Å; R36-T40 PolarHBondContact O-OG1 2.9Å; Q37-T40 PolarHBondContact O-OG1 3.18Å; V38-T40 VanDerWaalsContact C-N 3.28Å; V38-T40 PolarHBondContact O-N 3.41Å; T40-R43 PolarHBondContact O-N 3.29Å; T40-A44 VanDerWaalsContact O-CB 3.31Å; T40-A44 WeakPolarHBondContact O-CB 3.33Å; T40-A44 PolarHBondContact O-N 2.88Å |
| 41 | K | 75.3 | Confident | 65.8 | Low | 147 Ų | 147 | 100.9 Ų | 100.9 | 64% | 0.639 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.3 | -47 | 174.5 | -76.1 | -179.1 | 178.5 | 179.6 | 0 | 112.1 | Q37 V38 A44 K45 | Q37-K41 WeakPolarHBondContact O-CG 3.17Å; Q37-K41 PolarHBondContact O-N 3.07Å; Q37-K41 VanDerWaalsContact O-N 3.14Å; V38-K41 PolarHBondContact O-N 2.78Å; K41-A44 PolarHBondContact O-N 3.38Å; K41-K45 WeakPolarHBondContact O-CB 3.38Å; K41-K45 PolarHBondContact O-N 3.08Å |
| 42 | V | 65.1 | Low | 65.5 | Low | 52 Ų | 52 | 101 Ų | 101 | 32% | 0.315 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 178.9 | 171.5 | 0 | 0 | 0 | 0 | 111 | V38 A44 K45 I46 | V38-V42 HydrophobicContact CG1-CG2 4.13Å; V38-V42 WeakPolarHBondContact O-CG2 3.43Å; V38-V42 PolarHBondContact O-N 2.95Å; V42-A44 VanDerWaalsContact C-N 3.33Å; V42-A44 PolarHBondContact O-N 3.14Å; V42-K45 PolarHBondContact O-N 3.38Å; V42-I46 HydrophobicContact CG1-CD1 3.8Å; V42-I46 HydrophobicContact CG1-CG1 4.43Å; V42-I46 WeakPolarHBondContact O-CG1 3.44Å; V42-I46 PolarHBondContact O-N 2.89Å |
| 43 | R | 64.4 | Low | 65.1 | Low | 118 Ų | 118 | 100.5 Ų | 100.5 | 45% | 0.445 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 175.7 | -73.4 | -179.7 | -157.9 | -170.2 | 4.5 | 112.2 | E39 T40 K45 R47 | E39-R43 WeakPolarHBondContact O-CB 3.46Å; E39-R43 VanDerWaalsContact O-CG 3.24Å; E39-R43 WeakPolarHBondContact O-CG 3.42Å; E39-R43 PolarHBondContact O-N 3.27Å; E39-R43 IonicContact OE1-CZ 3.51Å; E39-R43 IonicContact OE1-NE 3.53Å; E39-R43 IonicContact OE1-NH2 2.64Å; E39-R43 PolarHBondContact OE1-NH2 2.99Å; E39-R43 IonicContact OE2-NH2 3.38Å; E39-R43 PolarHBondContact OE2-NH2 3.31Å; T40-R43 PolarHBondContact O-N 3.29Å; R43-K45 VanDerWaalsContact C-N 3.34Å; R43-R47 WeakPolarHBondContact O-CB 3.49Å; R43-R47 VanDerWaalsContact O-CG 3.29Å; R43-R47 WeakPolarHBondContact O-CG 3.3Å; R43-R47 PolarHBondContact O-N 3Å |
| 44 | A | 70.1 | Confident | 64.2 | Low | 47 Ų | 47 | 105.6 Ų | 105.6 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T40 K41 V42 R47 K48 | T40-A44 VanDerWaalsContact O-CB 3.31Å; T40-A44 WeakPolarHBondContact O-CB 3.33Å; T40-A44 PolarHBondContact O-N 2.88Å; K41-A44 PolarHBondContact O-N 3.38Å; V42-A44 VanDerWaalsContact C-N 3.33Å; V42-A44 PolarHBondContact O-N 3.14Å; A44-R47 PolarHBondContact O-N 2.81Å; A44-K48 WeakPolarHBondContact O-CG 3.49Å; A44-K48 PolarHBondContact O-N 3.45Å |
| 45 | K | 69 | Low | 63.4 | Low | 107 Ų | 107 | 106.1 Ų | 106.1 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 177.7 | -153.7 | 158 | -175.8 | 176 | 0 | 111.8 | K41 V42 R43 R47 K48 M49 D99 | K41-K45 WeakPolarHBondContact O-CB 3.38Å; K41-K45 PolarHBondContact O-N 3.08Å; V42-K45 PolarHBondContact O-N 3.38Å; R43-K45 VanDerWaalsContact C-N 3.34Å; K45-R47 PolarHBondContact O-N 2.64Å; K45-K48 PolarHBondContact O-N 3.29Å; K45-M49 WeakPolarHBondContact O-CB 3.23Å; K45-M49 PolarHBondContact O-N 3.21Å; K45-D99 WeakPolarHBondContact CD-OD2 3.34Å; K45-D99 VanDerWaalsContact CE-CG 3.41Å; K45-D99 VanDerWaalsContact CE-OD1 3.31Å; K45-D99 WeakPolarHBondContact CE-OD1 3.46Å; K45-D99 WeakPolarHBondContact CE-OD2 3.44Å; K45-D99 IonicContact NZ-OD1 3.27Å; K45-D99 PolarHBondContact NZ-OD1 3.04Å; K45-D99 IonicContact NZ-OD2 3.5Å; K45-D99 PolarHBondContact NZ-OD2 3.31Å |
| 46 | I | 65.2 | Low | 62.5 | Low | 79 Ų | 79 | 109.2 Ų | 109.2 | 41% | 0.405 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 172.5 | -68.1 | 167.6 | 0 | 0 | 0 | 111.6 | V42 M49 K50 | V42-I46 HydrophobicContact CG1-CD1 3.8Å; V42-I46 HydrophobicContact CG1-CG1 4.43Å; V42-I46 WeakPolarHBondContact O-CG1 3.44Å; V42-I46 PolarHBondContact O-N 2.89Å; I46-M49 PolarHBondContact O-N 2.92Å; I46-K50 HydrophobicContact CG2-CD 4.35Å; I46-K50 WeakPolarHBondContact O-CB 3.12Å; I46-K50 WeakPolarHBondContact O-CG 3.31Å; I46-K50 PolarHBondContact O-N 3.41Å |
| 47 | R | 67.8 | Low | 62 | Low | 177 Ų | 177 | 113.8 Ų | 113.8 | 67% | 0.668 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.1 | -43.8 | 177.6 | -76.5 | 175 | 178.9 | -177.6 | -1.3 | 111.8 | R43 A44 K45 M49 K50 V51 | R43-R47 WeakPolarHBondContact O-CB 3.49Å; R43-R47 VanDerWaalsContact O-CG 3.29Å; R43-R47 WeakPolarHBondContact O-CG 3.3Å; R43-R47 PolarHBondContact O-N 3Å; A44-R47 PolarHBondContact O-N 2.81Å; K45-R47 PolarHBondContact O-N 2.64Å; R47-M49 VanDerWaalsContact C-N 3.35Å; R47-K50 PolarHBondContact O-N 2.96Å; R47-V51 VanDerWaalsContact O-CG2 3.3Å; R47-V51 WeakPolarHBondContact O-CG2 3.31Å; R47-V51 PolarHBondContact O-N 3.05Å |
| 48 | K | 71.8 | Confident | 61.4 | Low | 155 Ų | 155 | 117.3 Ų | 117.3 | 67% | 0.674 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.4 | -47 | 175.1 | -77.8 | -176.1 | 177.9 | -173.8 | 0 | 111 | A44 K45 K50 V51 T52 | A44-K48 WeakPolarHBondContact O-CG 3.49Å; A44-K48 PolarHBondContact O-N 3.45Å; K45-K48 PolarHBondContact O-N 3.29Å; K48-K50 PolarHBondContact O-N 2.91Å; K48-V51 PolarHBondContact O-N 2.91Å; K48-V51 VanDerWaalsContact O-N 3.13Å; K48-T52 WeakPolarHBondContact O-CG2 3.49Å; K48-T52 PolarHBondContact O-N 3.42Å; K48-T52 PolarHBondContact O-OG1 3.17Å; K48-T52 VanDerWaalsContact O-OG1 3.06Å |
| 49 | M | 61.8 | Low | 61.1 | Low | 125 Ų | 125 | 122.3 Ų | 122.3 | 62% | 0.616 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.1 | -42.8 | 177.8 | -160.8 | 156.8 | 73.4 | 0 | 0 | 112 | K45 I46 R47 V51 T52 T53 | K45-M49 WeakPolarHBondContact O-CB 3.23Å; K45-M49 PolarHBondContact O-N 3.21Å; I46-M49 PolarHBondContact O-N 2.92Å; R47-M49 VanDerWaalsContact C-N 3.35Å; M49-V51 VanDerWaalsContact C-N 3.34Å; M49-V51 PolarHBondContact O-N 3.22Å; M49-T52 WeakPolarHBondContact CA-OG1 3.43Å; M49-T52 PolarHBondContact O-OG1 2.92Å; M49-T53 WeakPolarHBondContact O-CB 3.31Å; M49-T53 PolarHBondContact O-N 3.35Å; M49-T53 PolarHBondContact O-OG1 3.44Å |
| 50 | K | 60.6 | Low | 60.9 | Low | 152 Ų | 152 | 129.9 Ų | 129.9 | 66% | 0.661 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.9 | -36.9 | 173.5 | -77 | -177.2 | 177 | -174.7 | 0 | 113.3 | I46 R47 K48 K54 | I46-K50 HydrophobicContact CG2-CD 4.35Å; I46-K50 WeakPolarHBondContact O-CB 3.12Å; I46-K50 WeakPolarHBondContact O-CG 3.31Å; I46-K50 PolarHBondContact O-N 3.41Å; R47-K50 PolarHBondContact O-N 2.96Å; K48-K50 PolarHBondContact O-N 2.91Å; K50-K54 PolarHBondContact O-N 3.43Å |
| 51 | V | 55.2 | Low | 60.1 | Low | 92 Ų | 92 | 133.5 Ų | 133.5 | 56% | 0.558 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.1 | -45.4 | 179.2 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | R47 K48 M49 T53 K54 V55 | R47-V51 VanDerWaalsContact O-CG2 3.3Å; R47-V51 WeakPolarHBondContact O-CG2 3.31Å; R47-V51 PolarHBondContact O-N 3.05Å; K48-V51 PolarHBondContact O-N 2.91Å; K48-V51 VanDerWaalsContact O-N 3.13Å; M49-V51 VanDerWaalsContact C-N 3.34Å; M49-V51 PolarHBondContact O-N 3.22Å; V51-T53 VanDerWaalsContact C-N 3.32Å; V51-T53 PolarHBondContact O-N 2.86Å; V51-K54 PolarHBondContact O-N 3.46Å; V51-K54 VanDerWaalsContact O-N 3.07Å; V51-V55 WeakPolarHBondContact O-CG2 3.44Å; V51-V55 PolarHBondContact O-N 2.94Å |
| 52 | T | 53.1 | Low | 59.1 | Low | 92 Ų | 92 | 133.6 Ų | 133.6 | 56% | 0.564 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.9 | -37.5 | 177.6 | 50 | 0 | 0 | 0 | 0 | 112 | K48 M49 K54 V55 | K48-T52 WeakPolarHBondContact O-CG2 3.49Å; K48-T52 PolarHBondContact O-N 3.42Å; K48-T52 PolarHBondContact O-OG1 3.17Å; K48-T52 VanDerWaalsContact O-OG1 3.06Å; M49-T52 WeakPolarHBondContact CA-OG1 3.43Å; M49-T52 PolarHBondContact O-OG1 2.92Å; T52-K54 VanDerWaalsContact C-N 3.27Å; T52-K54 PolarHBondContact O-N 3.33Å; T52-V55 PolarHBondContact O-N 2.93Å |
| 53 | T | 50.6 | Low | 58.5 | Low | 110 Ų | 110 | 134.7 Ų | 134.7 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -65.2 | -29.4 | 173.8 | -56 | 0 | 0 | 0 | 0 | 112.6 | M49 V51 | M49-T53 WeakPolarHBondContact O-CB 3.31Å; M49-T53 PolarHBondContact O-N 3.35Å; M49-T53 PolarHBondContact O-OG1 3.44Å; V51-T53 VanDerWaalsContact C-N 3.32Å; V51-T53 PolarHBondContact O-N 2.86Å |
| 54 | K | 54.1 | Low | 57.7 | Low | 185 Ų | 185 | 139 Ų | 139 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -80 | -20.3 | 178 | -159.7 | 177.5 | -179.9 | -176.5 | 0 | 113.3 | K50 V51 T52 | K50-K54 PolarHBondContact O-N 3.43Å; V51-K54 PolarHBondContact O-N 3.46Å; V51-K54 VanDerWaalsContact O-N 3.07Å; T52-K54 VanDerWaalsContact C-N 3.27Å; T52-K54 PolarHBondContact O-N 3.33Å |
| 55 | V | 48 | Very low | 56.9 | Low | 109 Ų | 109 | 148.8 Ų | 148.8 | 66% | 0.661 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -83.6 | -12.5 | -177.1 | 172 | 0 | 0 | 0 | 0 | 113 | V51 T52 R57 | V51-V55 WeakPolarHBondContact O-CG2 3.44Å; V51-V55 PolarHBondContact O-N 2.94Å; T52-V55 PolarHBondContact O-N 2.93Å; V55-R57 VanDerWaalsContact C-N 3.32Å; V55-R57 PolarHBondContact O-N 3.19Å |
| 56 | N | 47.3 | Very low | 56 | Low | 147 Ų | 147 | 147.8 Ų | 147.8 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | trans | -88.9 | 59.7 | -179.2 | -156.6 | 3.5 | 0 | 0 | 0 | 113.6 | ||||
| 57 | R | 56.3 | Low | 56 | Low | 233 Ų | 233 | 149.5 Ų | 149.5 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | trans | -135.8 | 84.6 | 166.2 | -143.2 | -179.8 | -156.5 | 175.5 | 5.6 | 108.2 | V55 | V55-R57 VanDerWaalsContact C-N 3.32Å; V55-R57 PolarHBondContact O-N 3.19Å | ||
| 58 | H | 56.1 | Low | 55.6 | Low | 177 Ų | 177 | 145 Ų | 145 | 82% | 0.819 | 73% | 0.729 | S | S | * | * | trans | -100.9 | 134.4 | 176.8 | -131.3 | -69.9 | 0 | 0 | 0 | 110.8 | ||||
| 59 | D | 57.2 | Low | 55.1 | Low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | -67.1 | 153.1 | -159.6 | -67.8 | -59.1 | 0 | 0 | 0 | 117 | I61 | D59-I61 PolarHBondContact O-N 3.42Š| ||
| 60 | K | 60.1 | Low | 55 | Low | 209 Ų | 209 | 143.6 Ų | 143.6 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | trans | -64.9 | 109 | 167.1 | -75.1 | 176.4 | 175.9 | 177.3 | 0 | 109.2 | ||||
| 61 | I | 52.1 | Low | 55 | Low | 158 Ų | 158 | 140.9 Ų | 140.9 | 81% | 0.81 | 71% | 0.71 | S | S | * | * | trans | -93.9 | 113.4 | 169.2 | -62.6 | 175 | 0 | 0 | 0 | 109.3 | D59 | D59-I61 PolarHBondContact O-N 3.42Š| ||
| 62 | N | 55.5 | Low | 55.4 | Low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | trans | -85.7 | 144.7 | 172.2 | 46.8 | -7.5 | 0 | 0 | 0 | 111.3 | ||||
| 63 | G | 51.6 | Low | 55.9 | Low | 75 Ų | 75 | 147.6 Ų | 147.6 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | 115.9 | 110.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 64 | K | 47.5 | Very low | 56.6 | Low | 209 Ų | 209 | 146.6 Ų | 146.6 | 91% | 0.909 | 71% | 0.71 | S | S | * | * | trans | 87.9 | 145.1 | 144.8 | -67 | -178.8 | 178.4 | 177 | 0 | 121.1 | ||||
| 65 | R | 54.3 | Low | 56.9 | Low | 252 Ų | 252 | 142.6 Ų | 142.6 | 95% | 0.951 | 70% | 0.697 | S | S | * | * | trans | -60 | 144.9 | -157 | -66.6 | 172.8 | 174.2 | 144.8 | -2.8 | 114.2 | ||||
| 66 | K | 49.8 | Very low | 57.4 | Low | 86 Ų | 86 | 140 Ų | 140 | 37% | 0.374 | 68% | 0.684 | S | S | . | * | trans | -127.9 | 144.4 | 178.3 | -59.4 | 177.9 | -172.3 | 164.3 | 0 | 111.4 | E70 H71 K74 | K66-E70 HydrophobicContact CB-CB 4.32Å; K66-E70 WeakPolarHBondContact CB-OE2 3.37Å; K66-E70 HydrophobicContact CD-CG 4.29Å; K66-E70 VanDerWaalsContact CD-OE1 3.31Å; K66-E70 WeakPolarHBondContact CD-OE1 3.49Å; K66-E70 WeakPolarHBondContact CG-OE2 3.4Å; K66-H71 WeakPolarHBondContact CB-NE2 3.29Å; K66-H71 PolarHBondContact O-CD2 3.43Å; K66-H71 PolarHBondContact O-NE2 3.07Å; K66-K74 HydrophobicContact CD-CD 3.71Å | ||
| 67 | T | 64.6 | Low | 58.2 | Low | 114 Ų | 114 | 139.4 Ų | 139.4 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | trans | -76.6 | 152.4 | 174.5 | -1.7 | 0 | 0 | 0 | 0 | 110.6 | K69 E70 H71 | T67-K69 VanDerWaalsContact C-N 3.26Å; T67-K69 PolarHBondContact O-N 3.48Å; T67-E70 WeakPolarHBondContact O-CB 3.42Å; T67-E70 PolarHBondContact O-N 3.19Å; T67-H71 PolarHBondContact O-N 3.01Å | ||
| 68 | A | 59.9 | Low | 58.6 | Low | 82 Ų | 82 | 135.4 Ų | 135.4 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -53.2 | -33.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | H71 L72 | A68-H71 PolarHBondContact O-N 3.04Å; A68-L72 PolarHBondContact O-N 3.32Å; A68-L72 VanDerWaalsContact O-N 3.16Å |
| 69 | K | 61.8 | Low | 58.9 | Low | 178 Ų | 178 | 133.9 Ų | 133.9 | 77% | 0.774 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70 | -32.7 | 177.9 | -168.1 | 174.4 | -176.2 | 175.5 | 0 | 113.3 | T67 R73 | T67-K69 VanDerWaalsContact C-N 3.26Å; T67-K69 PolarHBondContact O-N 3.48Å; K69-R73 PolarHBondContact O-N 2.74Å |
| 70 | E | 60.1 | Low | 58.9 | Low | 73 Ų | 73 | 136.1 Ų | 136.1 | 34% | 0.341 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -76 | -34.1 | 177 | -165.3 | -165.6 | 156.3 | 0 | 0 | 111 | K66 T67 K74 | K66-E70 HydrophobicContact CB-CB 4.32Å; K66-E70 WeakPolarHBondContact CB-OE2 3.37Å; K66-E70 HydrophobicContact CD-CG 4.29Å; K66-E70 VanDerWaalsContact CD-OE1 3.31Å; K66-E70 WeakPolarHBondContact CD-OE1 3.49Å; K66-E70 WeakPolarHBondContact CG-OE2 3.4Å; T67-E70 WeakPolarHBondContact O-CB 3.42Å; T67-E70 PolarHBondContact O-N 3.19Å; E70-K74 HydrophobicContact CG-CD 4.35Å; E70-K74 VanDerWaalsContact O-CB 3.3Å; E70-K74 WeakPolarHBondContact O-CB 3.41Å; E70-K74 VanDerWaalsContact O-CG 3.28Å; E70-K74 WeakPolarHBondContact O-CG 3.45Å; E70-K74 PolarHBondContact O-N 3.4Å; E70-K74 VanDerWaalsContact OE1-CE 3.28Å; E70-K74 WeakPolarHBondContact OE1-CE 3.35Å; E70-K74 IonicContact OE1-NZ 2.57Å; E70-K74 PolarHBondContact OE1-NZ 3.46Å |
| 71 | H | 59.9 | Low | 59 | Low | 96 Ų | 96 | 130.8 Ų | 130.8 | 44% | 0.444 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -61.5 | -43 | 170.8 | -85.8 | -79.6 | 0 | 0 | 0 | 111.9 | K66 T67 A68 K74 L75 | K66-H71 WeakPolarHBondContact CB-NE2 3.29Å; K66-H71 PolarHBondContact O-CD2 3.43Å; K66-H71 PolarHBondContact O-NE2 3.07Å; T67-H71 PolarHBondContact O-N 3.01Å; A68-H71 PolarHBondContact O-N 3.04Å; H71-K74 PolarHBondContact O-N 2.95Å; H71-L75 WeakPolarHBondContact O-CB 3.42Å; H71-L75 VanDerWaalsContact O-CG 3.31Å; H71-L75 WeakPolarHBondContact O-CG 3.09Å; H71-L75 PolarHBondContact O-N 3.31Å |
| 72 | L | 62.8 | Low | 58.6 | Low | 128 Ų | 128 | 128.5 Ų | 128.5 | 67% | 0.67 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.1 | -45 | 178.7 | -135 | 82.4 | 0 | 0 | 0 | 112.5 | A68 K74 L75 S76 | A68-L72 PolarHBondContact O-N 3.32Å; A68-L72 VanDerWaalsContact O-N 3.16Å; L72-K74 VanDerWaalsContact C-N 3.32Å; L72-K74 PolarHBondContact O-N 2.91Å; L72-L75 PolarHBondContact O-N 3.27Å; L72-S76 PolarHBondContact O-N 3.27Å |
| 73 | R | 64.4 | Low | 58.7 | Low | 196 Ų | 196 | 122.7 Ų | 122.7 | 74% | 0.74 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.8 | -36.8 | 174.5 | -94.5 | -172.3 | 172.7 | -140.3 | -0.6 | 112.5 | K69 M77 | K69-R73 PolarHBondContact O-N 2.74Å; R73-M77 WeakPolarHBondContact O-CB 3.16Å; R73-M77 VanDerWaalsContact O-CG 3.24Å; R73-M77 WeakPolarHBondContact O-CG 3.39Å; R73-M77 PolarHBondContact O-N 2.93Å |
| 74 | K | 66.1 | Low | 58.8 | Low | 89 Ų | 89 | 124.5 Ų | 124.5 | 39% | 0.387 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71 | -36.2 | 176.7 | -77.1 | -177.8 | 179.4 | 175.9 | 0 | 112.5 | K66 E70 H71 L72 K78 | K66-K74 HydrophobicContact CD-CD 3.71Å; E70-K74 HydrophobicContact CG-CD 4.35Å; E70-K74 VanDerWaalsContact O-CB 3.3Å; E70-K74 WeakPolarHBondContact O-CB 3.41Å; E70-K74 VanDerWaalsContact O-CG 3.28Å; E70-K74 WeakPolarHBondContact O-CG 3.45Å; E70-K74 PolarHBondContact O-N 3.4Å; E70-K74 VanDerWaalsContact OE1-CE 3.28Å; E70-K74 WeakPolarHBondContact OE1-CE 3.35Å; E70-K74 IonicContact OE1-NZ 2.57Å; E70-K74 PolarHBondContact OE1-NZ 3.46Å; H71-K74 PolarHBondContact O-N 2.95Å; L72-K74 VanDerWaalsContact C-N 3.32Å; L72-K74 PolarHBondContact O-N 2.91Å; K74-K78 WeakPolarHBondContact O-CB 3.09Å; K74-K78 PolarHBondContact O-N 2.94Å |
| 75 | L | 59.6 | Low | 59.3 | Low | 101 Ų | 101 | 119.9 Ų | 119.9 | 53% | 0.529 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.6 | -47.8 | 172.1 | -74.9 | 164.3 | 0 | 0 | 0 | 110.6 | H71 L72 M77 K78 E79 | H71-L75 WeakPolarHBondContact O-CB 3.42Å; H71-L75 VanDerWaalsContact O-CG 3.31Å; H71-L75 WeakPolarHBondContact O-CG 3.09Å; H71-L75 PolarHBondContact O-N 3.31Å; L72-L75 PolarHBondContact O-N 3.27Å; L75-M77 PolarHBondContact O-N 3.02Å; L75-K78 CarbonylContact O-C 3.6Å; L75-K78 PolarHBondContact O-N 3.1Å; L75-K78 VanDerWaalsContact O-N 3.12Å; L75-E79 WeakPolarHBondContact O-CG 3.35Å; L75-E79 PolarHBondContact O-N 3.02Å |
| 76 | S | 59.4 | Low | 59.2 | Low | 56 Ų | 56 | 113.2 Ų | 113.2 | 39% | 0.392 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 178 | 173.1 | 0 | 0 | 0 | 0 | 113.9 | L72 K78 R80 | L72-S76 PolarHBondContact O-N 3.27Å; S76-K78 VanDerWaalsContact C-N 3.31Å; S76-R80 PolarHBondContact O-N 3.36Å; S76-R80 VanDerWaalsContact O-N 3.13Å |
| 77 | M | 63.2 | Low | 59.6 | Low | 133 Ų | 133 | 118.3 Ų | 118.3 | 66% | 0.655 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.1 | -37.1 | 175 | -71.9 | -82.9 | -72.5 | 0 | 0 | 111.6 | R73 L75 R80 E81 | R73-M77 WeakPolarHBondContact O-CB 3.16Å; R73-M77 VanDerWaalsContact O-CG 3.24Å; R73-M77 WeakPolarHBondContact O-CG 3.39Å; R73-M77 PolarHBondContact O-N 2.93Å; L75-M77 PolarHBondContact O-N 3.02Å; M77-R80 PolarHBondContact O-N 3.43Å; M77-E81 WeakPolarHBondContact O-CB 3.21Å; M77-E81 PolarHBondContact O-N 3.08Å |
| 78 | K | 64.8 | Low | 58.9 | Low | 150 Ų | 150 | 119 Ų | 119 | 65% | 0.652 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -75.6 | -32.5 | -178.3 | -158.9 | 174.2 | -168.6 | -172.9 | 0 | 112.4 | K74 L75 S76 H82 | K74-K78 WeakPolarHBondContact O-CB 3.09Å; K74-K78 PolarHBondContact O-N 2.94Å; L75-K78 CarbonylContact O-C 3.6Å; L75-K78 PolarHBondContact O-N 3.1Å; L75-K78 VanDerWaalsContact O-N 3.12Å; S76-K78 VanDerWaalsContact C-N 3.31Å; K78-H82 VanDerWaalsContact O-CB 3.24Å; K78-H82 WeakPolarHBondContact O-CB 3.28Å; K78-H82 PolarHBondContact O-N 2.99Å |
| 79 | E | 61.5 | Low | 58.1 | Low | 145 Ų | 145 | 119.6 Ų | 119.6 | 68% | 0.678 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68 | -39.9 | 170.8 | -75.7 | 178.8 | 148.7 | 0 | 0 | 111.5 | L75 H82 G83 | L75-E79 WeakPolarHBondContact O-CG 3.35Å; L75-E79 PolarHBondContact O-N 3.02Å; E79-H82 PolarHBondContact O-N 2.9Å; E79-G83 PolarHBondContact O-N 2.64Å |
| 80 | R | 58 | Low | 57.9 | Low | 179 Ų | 179 | 114.5 Ų | 114.5 | 68% | 0.675 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.6 | -47.1 | 172.3 | -94 | -173.3 | 157.1 | 89 | -0.2 | 112.5 | S76 M77 H82 G83 E84 | S76-R80 PolarHBondContact O-N 3.36Å; S76-R80 VanDerWaalsContact O-N 3.13Å; M77-R80 PolarHBondContact O-N 3.43Å; R80-H82 VanDerWaalsContact C-N 3.29Å; R80-H82 PolarHBondContact O-N 3.34Å; R80-G83 PolarHBondContact O-N 2.94Å; R80-E84 WeakPolarHBondContact O-CG 3.39Å; R80-E84 PolarHBondContact O-N 3.36Å |
| 81 | E | 61.5 | Low | 57.5 | Low | 98 Ų | 98 | 117 Ų | 117 | 46% | 0.458 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.3 | -36.3 | 175.3 | -92.5 | -165.3 | 104.6 | 0 | 0 | 112.4 | M77 K85 | M77-E81 WeakPolarHBondContact O-CB 3.21Å; M77-E81 PolarHBondContact O-N 3.08Å; E81-K85 VanDerWaalsContact O-CB 3.29Å; E81-K85 WeakPolarHBondContact O-CB 3.46Å; E81-K85 WeakPolarHBondContact O-CD 3.28Å; E81-K85 WeakPolarHBondContact O-CG 3.33Å; E81-K85 PolarHBondContact O-N 2.92Å; E81-K85 IonicContact OE1-NZ 3.67Å; E81-K85 PolarHBondContact OE1-NZ 3.34Å |
| 82 | H | 45.1 | Very low | 56.9 | Low | 110 Ų | 110 | 115.3 Ų | 115.3 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.8 | -46.1 | 177.5 | -168.8 | -83.9 | 0 | 0 | 0 | 111 | K78 E79 R80 E84 K85 E86 | K78-H82 VanDerWaalsContact O-CB 3.24Å; K78-H82 WeakPolarHBondContact O-CB 3.28Å; K78-H82 PolarHBondContact O-N 2.99Å; E79-H82 PolarHBondContact O-N 2.9Å; R80-H82 VanDerWaalsContact C-N 3.29Å; R80-H82 PolarHBondContact O-N 3.34Å; H82-E84 VanDerWaalsContact C-N 3.35Å; H82-E84 PolarHBondContact O-N 3.41Å; H82-K85 PolarHBondContact O-N 3.47Å; H82-E86 IonicContact CE1-OE1 2.8Å; H82-E86 IonicContact CE1-OE2 3.24Å; H82-E86 IonicContact ND1-OE2 2.74Å; H82-E86 PolarHBondContact ND1-OE2 3.45Å; H82-E86 PolarHBondContact O-N 3.23Å |
| 83 | G | 56.6 | Low | 56.4 | Low | 27 Ų | 27 | 115.1 Ų | 115.1 | 28% | 0.278 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.2 | -34.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E79 R80 R87 | E79-G83 PolarHBondContact O-N 2.64Å; R80-G83 PolarHBondContact O-N 2.94Å; G83-R87 WeakPolarHBondContact O-CB 3.3Å; G83-R87 WeakPolarHBondContact O-CG 3.15Å; G83-R87 PolarHBondContact O-N 3.43Å |
| 84 | E | 54.8 | Low | 55.6 | Low | 113 Ų | 113 | 112 Ų | 112 | 53% | 0.528 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.5 | -37.6 | 173.1 | -75.4 | 179.2 | 176.3 | 0 | 0 | 112.4 | R80 H82 R87 Q88 | R80-E84 WeakPolarHBondContact O-CG 3.39Å; R80-E84 PolarHBondContact O-N 3.36Å; H82-E84 VanDerWaalsContact C-N 3.35Å; H82-E84 PolarHBondContact O-N 3.41Å; E84-R87 PolarHBondContact O-N 3.06Å; E84-Q88 WeakPolarHBondContact O-CB 3.24Å; E84-Q88 WeakPolarHBondContact O-CG 3.37Å; E84-Q88 PolarHBondContact O-N 3.47Å |
| 85 | K | 56.1 | Low | 54.7 | Low | 111 Ų | 111 | 112.5 Ų | 112.5 | 48% | 0.483 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.3 | -41 | 174.5 | -75.3 | 165.7 | -169.3 | 162.1 | 0 | 111.6 | E81 H82 Q88 V89 | E81-K85 VanDerWaalsContact O-CB 3.29Å; E81-K85 WeakPolarHBondContact O-CB 3.46Å; E81-K85 WeakPolarHBondContact O-CD 3.28Å; E81-K85 WeakPolarHBondContact O-CG 3.33Å; E81-K85 PolarHBondContact O-N 2.92Å; E81-K85 IonicContact OE1-NZ 3.67Å; E81-K85 PolarHBondContact OE1-NZ 3.34Å; H82-K85 PolarHBondContact O-N 3.47Å; K85-Q88 PolarHBondContact O-N 3.28Å; K85-V89 WeakPolarHBondContact O-CB 3.32Å; K85-V89 WeakPolarHBondContact O-CG2 3.26Å; K85-V89 PolarHBondContact O-N 3.48Å |
| 86 | E | 52.3 | Low | 54.2 | Low | 113 Ų | 113 | 109.3 Ų | 109.3 | 53% | 0.528 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 173.6 | -81.6 | -173.7 | 136.8 | 0 | 0 | 111.8 | H82 Q88 V89 S90 | H82-E86 IonicContact CE1-OE1 2.8Å; H82-E86 IonicContact CE1-OE2 3.24Å; H82-E86 IonicContact ND1-OE2 2.74Å; H82-E86 PolarHBondContact ND1-OE2 3.45Å; H82-E86 PolarHBondContact O-N 3.23Å; E86-Q88 PolarHBondContact O-N 3.23Å; E86-V89 PolarHBondContact O-N 3.44Å; E86-S90 PolarHBondContact O-N 2.91Å; E86-S90 PolarHBondContact O-OG 3.29Å; E86-S90 VanDerWaalsContact O-OG 3.07Å |
| 87 | R | 58.8 | Low | 53.6 | Low | 193 Ų | 193 | 113.3 Ų | 113.3 | 73% | 0.728 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.5 | -45.9 | 174.2 | -80.3 | 179.6 | 179.9 | 168.9 | -0 | 112.6 | G83 E84 V89 S90 E91 | G83-R87 WeakPolarHBondContact O-CB 3.3Å; G83-R87 WeakPolarHBondContact O-CG 3.15Å; G83-R87 PolarHBondContact O-N 3.43Å; E84-R87 PolarHBondContact O-N 3.06Å; R87-V89 VanDerWaalsContact C-N 3.33Å; R87-V89 PolarHBondContact O-N 3.23Å; R87-S90 PolarHBondContact O-N 3.14Å; R87-E91 WeakPolarHBondContact O-CB 3.49Å; R87-E91 PolarHBondContact O-N 3.46Å |
| 88 | Q | 49.9 | Very low | 52.8 | Low | 128 Ų | 128 | 112.2 Ų | 112.2 | 60% | 0.598 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.9 | -35.4 | 177.2 | -75.1 | 179.6 | 33.9 | 0 | 0 | 112.7 | E84 K85 E86 A92 | E84-Q88 WeakPolarHBondContact O-CB 3.24Å; E84-Q88 WeakPolarHBondContact O-CG 3.37Å; E84-Q88 PolarHBondContact O-N 3.47Å; K85-Q88 PolarHBondContact O-N 3.28Å; E86-Q88 PolarHBondContact O-N 3.23Å; Q88-A92 WeakPolarHBondContact O-CB 3.43Å; Q88-A92 PolarHBondContact O-N 3.08Å |
| 89 | V | 43.4 | Very low | 52.3 | Low | 94 Ų | 94 | 106.5 Ų | 106.5 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.2 | -43.3 | 175.4 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | K85 E86 R87 A92 E93 | K85-V89 WeakPolarHBondContact O-CB 3.32Å; K85-V89 WeakPolarHBondContact O-CG2 3.26Å; K85-V89 PolarHBondContact O-N 3.48Å; E86-V89 PolarHBondContact O-N 3.44Å; R87-V89 VanDerWaalsContact C-N 3.33Å; R87-V89 PolarHBondContact O-N 3.23Å; V89-A92 PolarHBondContact O-N 3.07Å; V89-E93 WeakPolarHBondContact O-CB 3.31Å; V89-E93 PolarHBondContact O-N 3.33Å |
| 90 | S | 57.3 | Low | 51.8 | Low | 72 Ų | 72 | 106 Ų | 106 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 176.9 | -61 | 0 | 0 | 0 | 0 | 112.6 | E86 R87 E93 E94 | E86-S90 PolarHBondContact O-N 2.91Å; E86-S90 PolarHBondContact O-OG 3.29Å; E86-S90 VanDerWaalsContact O-OG 3.07Å; R87-S90 PolarHBondContact O-N 3.14Å; S90-E93 PolarHBondContact O-N 3.33Å; S90-E94 PolarHBondContact O-N 3.11Å |
| 91 | E | 51.5 | Low | 52 | Low | 124 Ų | 124 | 105.1 Ų | 105.1 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67 | -38.8 | 177 | -144.9 | 174.8 | -167.3 | 0 | 0 | 110.9 | R87 N95 | R87-E91 WeakPolarHBondContact O-CB 3.49Å; R87-E91 PolarHBondContact O-N 3.46Å; E91-N95 VanDerWaalsContact O-CB 3.23Å; E91-N95 WeakPolarHBondContact O-CB 3.41Å; E91-N95 PolarHBondContact O-N 3.13Å; E91-N95 PolarHBondContact O-ND2 3.45Å |
| 92 | A | 48.7 | Very low | 52 | Low | 62 Ų | 62 | 106.8 Ų | 106.8 | 51% | 0.512 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.3 | -33.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q88 V89 G96 | Q88-A92 WeakPolarHBondContact O-CB 3.43Å; Q88-A92 PolarHBondContact O-N 3.08Å; V89-A92 PolarHBondContact O-N 3.07Å; A92-G96 PolarHBondContact O-N 2.94Å |
| 93 | E | 51.8 | Low | 52.7 | Low | 124 Ų | 124 | 104.7 Ų | 104.7 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.1 | -44 | 176.5 | -169.8 | -175.4 | 163.6 | 0 | 0 | 111.7 | V89 S90 G96 K97 | V89-E93 WeakPolarHBondContact O-CB 3.31Å; V89-E93 PolarHBondContact O-N 3.33Å; S90-E93 PolarHBondContact O-N 3.33Å; E93-G96 PolarHBondContact O-N 2.89Å; E93-K97 PolarHBondContact O-N 2.82Å |
| 94 | E | 46.9 | Very low | 53 | Low | 130 Ų | 130 | 108.9 Ų | 108.9 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.1 | -45 | 174.5 | -170 | -177.8 | 178.6 | 0 | 0 | 111.2 | S90 G96 K97 L98 | S90-E94 PolarHBondContact O-N 3.11Å; E94-G96 VanDerWaalsContact C-N 3.32Å; E94-G96 PolarHBondContact O-N 3.23Å; E94-K97 WeakPolarHBondContact O-CB 3.37Å; E94-K97 PolarHBondContact O-N 2.8Å; E94-L98 PolarHBondContact O-N 3.49Å |
| 95 | N | 47 | Very low | 53.8 | Low | 100 Ų | 100 | 107.2 Ų | 107.2 | 54% | 0.535 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -35 | 175.2 | -74.5 | -42.9 | 0 | 0 | 0 | 112.7 | E91 D99 | E91-N95 VanDerWaalsContact O-CB 3.23Å; E91-N95 WeakPolarHBondContact O-CB 3.41Å; E91-N95 PolarHBondContact O-N 3.13Å; E91-N95 PolarHBondContact O-ND2 3.45Å; N95-D99 WeakPolarHBondContact O-CB 3.44Å; N95-D99 PolarHBondContact O-N 2.99Å; N95-D99 VanDerWaalsContact O-N 3.08Å |
| 96 | G | 48.8 | Very low | 54 | Low | 34 Ų | 34 | 105.5 Ų | 105.5 | 35% | 0.351 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.3 | -31.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A92 E93 E94 M100 | A92-G96 PolarHBondContact O-N 2.94Å; E93-G96 PolarHBondContact O-N 2.89Å; E94-G96 VanDerWaalsContact C-N 3.32Å; E94-G96 PolarHBondContact O-N 3.23Å; G96-M100 PolarHBondContact O-N 2.92Å; G96-M100 VanDerWaalsContact O-N 3.17Å |
| 97 | K | 48.5 | Very low | 54.6 | Low | 139 Ų | 139 | 104.7 Ų | 104.7 | 60% | 0.604 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.5 | -40.2 | 174.6 | -117.3 | 172.2 | -178.6 | 166.1 | 0 | 112.3 | E93 E94 K101 | E93-K97 PolarHBondContact O-N 2.82Å; E94-K97 WeakPolarHBondContact O-CB 3.37Å; E94-K97 PolarHBondContact O-N 2.8Å; K97-K101 PolarHBondContact O-N 2.93Å |
| 98 | L | 46.3 | Very low | 55.3 | Low | 110 Ų | 110 | 99.5 Ų | 99.5 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.6 | -40.3 | 177 | -127.6 | 151.2 | 0 | 0 | 0 | 110.9 | E94 K101 E102 | E94-L98 PolarHBondContact O-N 3.49Å; L98-K101 PolarHBondContact O-N 3.33Å; L98-E102 PolarHBondContact O-N 3.04Å |
| 99 | D | 54.3 | Low | 56.2 | Low | 31 Ų | 31 | 99.5 Ų | 99.5 | 17% | 0.166 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 176.3 | -169.5 | 48.8 | 0 | 0 | 0 | 113.2 | K45 N95 E102 I103 | K45-D99 WeakPolarHBondContact CD-OD2 3.34Å; K45-D99 VanDerWaalsContact CE-CG 3.41Å; K45-D99 VanDerWaalsContact CE-OD1 3.31Å; K45-D99 WeakPolarHBondContact CE-OD1 3.46Å; K45-D99 WeakPolarHBondContact CE-OD2 3.44Å; K45-D99 IonicContact NZ-OD1 3.27Å; K45-D99 PolarHBondContact NZ-OD1 3.04Å; K45-D99 IonicContact NZ-OD2 3.5Å; K45-D99 PolarHBondContact NZ-OD2 3.31Å; N95-D99 WeakPolarHBondContact O-CB 3.44Å; N95-D99 PolarHBondContact O-N 2.99Å; N95-D99 VanDerWaalsContact O-N 3.08Å; D99-E102 PolarHBondContact O-N 3.39Å; D99-I103 WeakPolarHBondContact O-CB 3.47Å; D99-I103 WeakPolarHBondContact O-CD1 3.43Å; D99-I103 WeakPolarHBondContact O-CG1 3.35Å; D99-I103 PolarHBondContact O-N 3.05Å |
| 100 | M | 49.6 | Very low | 57.3 | Low | 135 Ų | 135 | 97.6 Ų | 97.6 | 67% | 0.665 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.7 | -38.3 | 177.9 | -93.6 | -153.3 | -74.4 | 0 | 0 | 113.4 | G96 H104 | G96-M100 PolarHBondContact O-N 2.92Å; G96-M100 VanDerWaalsContact O-N 3.17Å; M100-H104 VanDerWaalsContact O-CB 3.28Å; M100-H104 WeakPolarHBondContact O-CB 3.25Å; M100-H104 PolarHBondContact O-N 3.41Å |
| 101 | K | 63.4 | Low | 57.9 | Low | 159 Ų | 159 | 99.5 Ų | 99.5 | 69% | 0.691 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.2 | -43.2 | 176.3 | -75.7 | -178.1 | 177.6 | 179.4 | 0 | 111 | K97 L98 H104 T105 | K97-K101 PolarHBondContact O-N 2.93Å; L98-K101 PolarHBondContact O-N 3.33Å; K101-H104 PolarHBondContact O-N 3.39Å; K101-T105 PolarHBondContact O-N 3.01Å; K101-T105 PolarHBondContact O-OG1 3.34Å; K101-T105 VanDerWaalsContact O-OG1 3.06Å |
| 102 | E | 61 | Low | 58.8 | Low | 134 Ų | 134 | 101.9 Ų | 101.9 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 177.7 | -164.1 | 177.1 | -179.4 | 0 | 0 | 111.7 | L98 D99 H104 T105 Y106 | L98-E102 PolarHBondContact O-N 3.04Å; D99-E102 PolarHBondContact O-N 3.39Å; E102-H104 VanDerWaalsContact C-N 3.34Å; E102-H104 PolarHBondContact O-N 3.27Å; E102-T105 PolarHBondContact O-N 3.26Å; E102-Y106 WeakPolarHBondContact O-CB 3.44Å; E102-Y106 PolarHBondContact O-N 2.91Å |
| 103 | I | 59.5 | Low | 59.6 | Low | 65 Ų | 65 | 100.8 Ų | 100.8 | 33% | 0.333 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 173.6 | -69.5 | 165.7 | 0 | 0 | 0 | 111.4 | D99 Y106 M107 | D99-I103 WeakPolarHBondContact O-CB 3.47Å; D99-I103 WeakPolarHBondContact O-CD1 3.43Å; D99-I103 WeakPolarHBondContact O-CG1 3.35Å; D99-I103 PolarHBondContact O-N 3.05Å; I103-Y106 PolarHBondContact O-N 3.39Å; I103-M107 WeakPolarHBondContact O-CB 3.39Å; I103-M107 WeakPolarHBondContact O-CG 3.49Å; I103-M107 PolarHBondContact O-N 3.33Å |
| 104 | H | 62.8 | Low | 60.2 | Low | 116 Ų | 116 | 98.3 Ų | 98.3 | 54% | 0.537 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.5 | -48.2 | 178 | -176.6 | 66.5 | 0 | 0 | 0 | 111.8 | M100 K101 E102 Y106 M107 E108 | M100-H104 VanDerWaalsContact O-CB 3.28Å; M100-H104 WeakPolarHBondContact O-CB 3.25Å; M100-H104 PolarHBondContact O-N 3.41Å; K101-H104 PolarHBondContact O-N 3.39Å; E102-H104 VanDerWaalsContact C-N 3.34Å; E102-H104 PolarHBondContact O-N 3.27Å; H104-Y106 VanDerWaalsContact C-N 3.27Å; H104-Y106 PolarHBondContact O-N 3.5Å; H104-M107 WeakPolarHBondContact O-CB 3.3Å; H104-M107 PolarHBondContact O-N 2.96Å; H104-E108 PolarHBondContact O-N 3.17Å |
| 105 | T | 71.8 | Confident | 61.5 | Low | 77 Ų | 77 | 94.3 Ų | 94.3 | 47% | 0.472 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60 | -39.3 | 174.9 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | K101 E102 E108 M109 | K101-T105 PolarHBondContact O-N 3.01Å; K101-T105 PolarHBondContact O-OG1 3.34Å; K101-T105 VanDerWaalsContact O-OG1 3.06Å; E102-T105 PolarHBondContact O-N 3.26Å; T105-E108 PolarHBondContact O-N 3.04Å; T105-M109 VanDerWaalsContact O-CG 3.25Å; T105-M109 WeakPolarHBondContact O-CG 3.32Å; T105-M109 PolarHBondContact O-N 3.39Å |
| 106 | Y | 60.7 | Low | 62.7 | Low | 76 Ų | 76 | 94.9 Ų | 94.9 | 30% | 0.298 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 176.1 | -165.2 | -88 | 0 | 0 | 0 | 112.5 | V38 E102 I103 H104 M109 F110 | V38-Y106 HydrophobicContact CB-CD1 4.47Å; V38-Y106 HydrophobicContact CB-CE1 3.63Å; V38-Y106 HydrophobicContact CB-CE2 4.01Å; V38-Y106 WeakPolarHBondContact CB-OH 3.33Å; V38-Y106 HydrophobicContact CG1-CD1 3.61Å; V38-Y106 HydrophobicContact CG1-CD2 4.17Å; V38-Y106 HydrophobicContact CG1-CE1 3.22Å; V38-Y106 HydrophobicContact CG1-CE2 3.84Å; V38-Y106 HydrophobicContact CG1-CG 4.07Å; V38-Y106 HydrophobicContact CG2-CD2 4.5Å; V38-Y106 HydrophobicContact CG2-CE1 4.14Å; V38-Y106 HydrophobicContact CG2-CE2 3.57Å; V38-Y106 WeakPolarHBondContact CG2-OH 3.4Å; E102-Y106 WeakPolarHBondContact O-CB 3.44Å; E102-Y106 PolarHBondContact O-N 2.91Å; I103-Y106 PolarHBondContact O-N 3.39Å; H104-Y106 VanDerWaalsContact C-N 3.27Å; H104-Y106 PolarHBondContact O-N 3.5Å; Y106-M109 PolarHBondContact O-N 2.74Å; Y106-F110 WeakPolarHBondContact O-CB 3.16Å; Y106-F110 PolarHBondContact O-N 2.95Å |
| 107 | M | 63.7 | Low | 63.8 | Low | 95 Ų | 95 | 99.7 Ų | 99.7 | 47% | 0.468 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 173.9 | -88.8 | -80.4 | -63.2 | 0 | 0 | 112.3 | I103 H104 F110 Q111 | I103-M107 WeakPolarHBondContact O-CB 3.39Å; I103-M107 WeakPolarHBondContact O-CG 3.49Å; I103-M107 PolarHBondContact O-N 3.33Å; H104-M107 WeakPolarHBondContact O-CB 3.3Å; H104-M107 PolarHBondContact O-N 2.96Å; M107-F110 PolarHBondContact O-N 3.18Å; M107-Q111 VanDerWaalsContact O-CG 3.32Å; M107-Q111 WeakPolarHBondContact O-CG 3.44Å; M107-Q111 PolarHBondContact O-N 3.34Å |
| 108 | E | 74.5 | Confident | 64.9 | Low | 85 Ų | 85 | 100.6 Ų | 100.6 | 40% | 0.397 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 175.4 | -75.5 | -166.2 | 134.7 | 0 | 0 | 112.3 | H104 T105 F110 Q111 R112 | H104-E108 PolarHBondContact O-N 3.17Å; T105-E108 PolarHBondContact O-N 3.04Å; E108-F110 VanDerWaalsContact C-N 3.28Å; E108-F110 PolarHBondContact O-N 2.91Å; E108-Q111 PolarHBondContact O-N 2.92Å; E108-R112 WeakPolarHBondContact O-CG 3.43Å; E108-R112 PolarHBondContact O-N 3.36Å |
| 109 | M | 68.4 | Low | 66.2 | Low | 127 Ų | 127 | 104.1 Ų | 104.1 | 63% | 0.626 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.1 | -41.4 | 175.3 | -69.3 | -104.7 | -101.3 | 0 | 0 | 110.9 | T105 Y106 R112 A113 | T105-M109 VanDerWaalsContact O-CG 3.25Å; T105-M109 WeakPolarHBondContact O-CG 3.32Å; T105-M109 PolarHBondContact O-N 3.39Å; Y106-M109 PolarHBondContact O-N 2.74Å; M109-R112 PolarHBondContact O-N 3.46Å; M109-A113 WeakPolarHBondContact O-CB 3.22Å; M109-A113 PolarHBondContact O-N 3.19Å |
| 110 | F | 66.8 | Low | 66.7 | Low | 54 Ų | 54 | 105.5 Ų | 105.5 | 24% | 0.237 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 176.4 | -177.8 | -113.1 | 0 | 0 | 0 | 112.8 | W35 Y106 M107 E108 A113 Q114 | W35-F110 AromaticContact CD1-CD2 3.55Å; W35-F110 AromaticContact CD1-CE2 3.13Å; W35-F110 AromaticContact CD1-CZ 3.82Å; W35-F110 HydrophobicContact CD2-CE2 4.2Å; W35-F110 AromaticContact CE2-CE2 3.66Å; W35-F110 AromaticContact CE2-CZ 3.57Å; W35-F110 AromaticContact CG-CE2 3.91Å; W35-F110 HydrophobicContact CG-CE2 3.91Å; W35-F110 HydrophobicContact CZ2-CE2 4.42Å; W35-F110 AromaticContact CZ2-CZ 3.9Å; W35-F110 HydrophobicContact CZ2-CZ 3.9Å; W35-F110 AromaticContact NE1-CD2 3.67Å; W35-F110 AromaticContact NE1-CE1 3.95Å; W35-F110 AromaticContact NE1-CE2 2.96Å; W35-F110 AromaticContact NE1-CZ 3.1Å; Y106-F110 WeakPolarHBondContact O-CB 3.16Å; Y106-F110 PolarHBondContact O-N 2.95Å; M107-F110 PolarHBondContact O-N 3.18Å; E108-F110 VanDerWaalsContact C-N 3.28Å; E108-F110 PolarHBondContact O-N 2.91Å; F110-A113 PolarHBondContact O-N 2.95Å; F110-Q114 HydrophobicContact CE1-CG 4.26Å; F110-Q114 HydrophobicContact CE2-CG 4.37Å; F110-Q114 HydrophobicContact CZ-CG 4.12Å; F110-Q114 PolarHBondContact O-N 2.95Å |
| 111 | Q | 69.9 | Low | 67.6 | Low | 112 Ų | 112 | 103.2 Ų | 103.2 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.3 | -74.3 | 175.5 | 1.3 | 0 | 0 | 111.8 | M107 E108 Q114 A115 | M107-Q111 VanDerWaalsContact O-CG 3.32Å; M107-Q111 WeakPolarHBondContact O-CG 3.44Å; M107-Q111 PolarHBondContact O-N 3.34Å; E108-Q111 PolarHBondContact O-N 2.92Å; Q111-Q114 PolarHBondContact O-N 3.16Å; Q111-A115 WeakPolarHBondContact O-CB 3.41Å; Q111-A115 PolarHBondContact O-N 2.93Å |
| 112 | R | 69.7 | Low | 68 | Low | 174 Ų | 174 | 99.9 Ų | 99.9 | 66% | 0.657 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.3 | -43 | 174 | -75.1 | -179.8 | -178.8 | -177.5 | 2.8 | 111.8 | E108 M109 A115 L116 | E108-R112 WeakPolarHBondContact O-CG 3.43Å; E108-R112 PolarHBondContact O-N 3.36Å; M109-R112 PolarHBondContact O-N 3.46Å; R112-A115 PolarHBondContact O-N 3.4Å; R112-L116 WeakPolarHBondContact O-CG 3.37Å; R112-L116 PolarHBondContact O-N 3.28Å |
| 113 | A | 65.6 | Low | 68.3 | Low | 40 Ų | 40 | 100.8 Ų | 100.8 | 33% | 0.331 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M109 F110 A115 L116 R117 | M109-A113 WeakPolarHBondContact O-CB 3.22Å; M109-A113 PolarHBondContact O-N 3.19Å; F110-A113 PolarHBondContact O-N 2.95Å; A113-A115 PolarHBondContact O-N 3.39Å; A113-L116 PolarHBondContact O-N 3.22Å; A113-R117 WeakPolarHBondContact O-CB 3.43Å; A113-R117 PolarHBondContact O-N 3.38Å |
| 114 | Q | 66.3 | Low | 68.4 | Low | 72 Ų | 72 | 104.4 Ų | 104.4 | 34% | 0.336 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 172.9 | -77.7 | -163.8 | 2.2 | 0 | 0 | 112.7 | F110 Q111 R117 R118 | F110-Q114 HydrophobicContact CE1-CG 4.26Å; F110-Q114 HydrophobicContact CE2-CG 4.37Å; F110-Q114 HydrophobicContact CZ-CG 4.12Å; F110-Q114 PolarHBondContact O-N 2.95Å; Q111-Q114 PolarHBondContact O-N 3.16Å; Q114-R117 WeakPolarHBondContact O-CB 3.5Å; Q114-R117 PolarHBondContact O-N 2.97Å; Q114-R118 PolarHBondContact O-N 3.23Å |
| 115 | A | 72.6 | Confident | 68.3 | Low | 45 Ų | 45 | 106.9 Ų | 106.9 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q111 R112 A113 R118 R119 | Q111-A115 WeakPolarHBondContact O-CB 3.41Å; Q111-A115 PolarHBondContact O-N 2.93Å; R112-A115 PolarHBondContact O-N 3.4Å; A113-A115 PolarHBondContact O-N 3.39Å; A115-R118 PolarHBondContact O-N 3.26Å; A115-R119 WeakPolarHBondContact O-CG 3.48Å; A115-R119 PolarHBondContact O-N 3.31Å |
| 116 | L | 72 | Confident | 67.7 | Low | 112 Ų | 112 | 108.3 Ų | 108.3 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -43.1 | 173.1 | -74.2 | 168.6 | 0 | 0 | 0 | 111.6 | R112 A113 R119 A120 | R112-L116 WeakPolarHBondContact O-CG 3.37Å; R112-L116 PolarHBondContact O-N 3.28Å; A113-L116 PolarHBondContact O-N 3.22Å; L116-R119 PolarHBondContact O-N 2.94Å; L116-A120 PolarHBondContact O-N 2.86Å |
| 117 | R | 73.1 | Confident | 67.7 | Low | 135 Ų | 135 | 111.4 Ų | 111.4 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 175.6 | -164.3 | -171.1 | 119.2 | -143.3 | -4.9 | 112 | A113 Q114 R119 A120 E121 | A113-R117 WeakPolarHBondContact O-CB 3.43Å; A113-R117 PolarHBondContact O-N 3.38Å; Q114-R117 WeakPolarHBondContact O-CB 3.5Å; Q114-R117 PolarHBondContact O-N 2.97Å; R117-R119 PolarHBondContact O-N 2.93Å; R117-A120 PolarHBondContact O-N 2.94Å; R117-E121 IonicContact CZ-OE1 3.34Å; R117-E121 VanDerWaalsContact CZ-OE1 3.24Å; R117-E121 IonicContact NE-OE1 2.64Å; R117-E121 PolarHBondContact NE-OE1 3.39Å; R117-E121 IonicContact NH2-OE1 2.86Å; R117-E121 PolarHBondContact NH2-OE1 2.81Å; R117-E121 IonicContact NH2-OE2 3.92Å; R117-E121 WeakPolarHBondContact O-CG 3.41Å; R117-E121 PolarHBondContact O-N 3.44Å |
| 118 | R | 71.6 | Confident | 67.2 | Low | 159 Ų | 159 | 109 Ų | 109 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.3 | -44.3 | 175.4 | -75.8 | -176.9 | -176 | 177.9 | 2.7 | 111.8 | Q114 A115 A120 E121 D122 | Q114-R118 PolarHBondContact O-N 3.23Å; A115-R118 PolarHBondContact O-N 3.26Å; R118-A120 VanDerWaalsContact C-N 3.32Å; R118-A120 PolarHBondContact O-N 2.99Å; R118-E121 PolarHBondContact O-N 3.1Å; R118-D122 WeakPolarHBondContact O-CB 3.46Å; R118-D122 PolarHBondContact O-N 2.97Å |
| 119 | R | 72.2 | Confident | 66.3 | Low | 184 Ų | 184 | 109.4 Ų | 109.4 | 69% | 0.694 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.2 | -39.5 | 176.1 | -74.5 | 178.8 | -175.8 | 179.9 | 1.6 | 112.6 | A115 L116 R117 D122 Y123 | A115-R119 WeakPolarHBondContact O-CG 3.48Å; A115-R119 PolarHBondContact O-N 3.31Å; L116-R119 PolarHBondContact O-N 2.94Å; R117-R119 PolarHBondContact O-N 2.93Å; R119-D122 PolarHBondContact O-N 3.23Å; R119-Y123 VanDerWaalsContact O-CB 3.27Å; R119-Y123 WeakPolarHBondContact O-CB 3.41Å; R119-Y123 PolarHBondContact O-N 2.91Å |
| 120 | A | 65.9 | Low | 65.7 | Low | 60 Ų | 60 | 108.1 Ų | 108.1 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.2 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L116 R117 R118 Y123 Y124 | L116-A120 PolarHBondContact O-N 2.86Å; R117-A120 PolarHBondContact O-N 2.94Å; R118-A120 VanDerWaalsContact C-N 3.32Å; R118-A120 PolarHBondContact O-N 2.99Å; A120-Y123 PolarHBondContact O-N 3.43Å; A120-Y124 WeakPolarHBondContact O-CB 3.33Å; A120-Y124 PolarHBondContact O-N 3.34Å |
| 121 | E | 67.6 | Low | 65.1 | Low | 86 Ų | 86 | 110.2 Ų | 110.2 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 173.4 | -72.5 | 174.5 | -168.4 | 0 | 0 | 111.6 | R117 R118 Y124 R125 | R117-E121 IonicContact CZ-OE1 3.34Å; R117-E121 VanDerWaalsContact CZ-OE1 3.24Å; R117-E121 IonicContact NE-OE1 2.64Å; R117-E121 PolarHBondContact NE-OE1 3.39Å; R117-E121 IonicContact NH2-OE1 2.86Å; R117-E121 PolarHBondContact NH2-OE1 2.81Å; R117-E121 IonicContact NH2-OE2 3.92Å; R117-E121 WeakPolarHBondContact O-CG 3.41Å; R117-E121 PolarHBondContact O-N 3.44Å; R118-E121 PolarHBondContact O-N 3.1Å; E121-Y124 PolarHBondContact O-N 2.84Å; E121-R125 WeakPolarHBondContact O-CG 3.42Å; E121-R125 PolarHBondContact O-N 3.42Å |
| 122 | D | 73.1 | Confident | 64.3 | Low | 89 Ų | 89 | 106.8 Ų | 106.8 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 178.1 | -71.7 | -26.6 | 0 | 0 | 0 | 111.7 | R118 R119 Y124 R125 C126 | R118-D122 WeakPolarHBondContact O-CB 3.46Å; R118-D122 PolarHBondContact O-N 2.97Å; R119-D122 PolarHBondContact O-N 3.23Å; D122-Y124 VanDerWaalsContact C-N 3.29Å; D122-Y124 PolarHBondContact O-N 3.48Å; D122-R125 WeakPolarHBondContact O-CB 3.47Å; D122-R125 PolarHBondContact O-N 3.15Å; D122-C126 WeakPolarHBondContact O-CB 3.46Å; D122-C126 PolarHBondContact O-N 3.36Å; D122-C126 PolarHBondContact O-SG 2.84Å |
| 123 | Y | 67 | Low | 63.6 | Low | 153 Ų | 153 | 103.8 Ų | 103.8 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56.4 | -45.4 | 171.8 | 178.2 | -93.9 | 0 | 0 | 0 | 111 | R119 A120 C126 K127 | R119-Y123 VanDerWaalsContact O-CB 3.27Å; R119-Y123 WeakPolarHBondContact O-CB 3.41Å; R119-Y123 PolarHBondContact O-N 2.91Å; A120-Y123 PolarHBondContact O-N 3.43Å; Y123-C126 PolarHBondContact O-N 3.13Å; Y123-K127 HydrophobicContact CD1-CG 4.17Å; Y123-K127 HydrophobicContact CE1-CG 3.81Å; Y123-K127 HydrophobicContact CE2-CG 4.36Å; Y123-K127 VanDerWaalsContact CZ-CE 3.42Å; Y123-K127 WeakPolarHBondContact O-CB 3.27Å; Y123-K127 WeakPolarHBondContact O-CG 3.32Å; Y123-K127 PolarHBondContact O-N 3.06Å; Y123-K127 WeakPolarHBondContact OH-CE 3.33Å |
| 124 | Y | 60.4 | Low | 62.9 | Low | 142 Ų | 142 | 109.4 Ų | 109.4 | 56% | 0.557 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.9 | -39.2 | 177.4 | -166.6 | -102.4 | 0 | 0 | 0 | 112.3 | A120 E121 D122 C126 K127 I128 | A120-Y124 WeakPolarHBondContact O-CB 3.33Å; A120-Y124 PolarHBondContact O-N 3.34Å; E121-Y124 PolarHBondContact O-N 2.84Å; D122-Y124 VanDerWaalsContact C-N 3.29Å; D122-Y124 PolarHBondContact O-N 3.48Å; Y124-C126 VanDerWaalsContact C-N 3.33Å; Y124-C126 PolarHBondContact O-N 3.18Å; Y124-K127 PolarHBondContact O-N 3.43Å; Y124-I128 HydrophobicContact CD1-CD1 3.72Å; Y124-I128 HydrophobicContact CD1-CG1 4.46Å; Y124-I128 HydrophobicContact CE1-CD1 3.35Å; Y124-I128 HydrophobicContact CE1-CG1 4.23Å; Y124-I128 WeakPolarHBondContact O-CG1 3.46Å; Y124-I128 PolarHBondContact O-N 3.15Å |
| 125 | R | 60.6 | Low | 62.2 | Low | 167 Ų | 167 | 109.9 Ų | 109.9 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59 | -45.5 | 171.6 | -77.7 | -166.5 | -175.5 | -154.5 | 5.3 | 111.1 | E121 D122 K127 I128 R133 | E121-R125 WeakPolarHBondContact O-CG 3.42Å; E121-R125 PolarHBondContact O-N 3.42Å; D122-R125 WeakPolarHBondContact O-CB 3.47Å; D122-R125 PolarHBondContact O-N 3.15Å; R125-K127 VanDerWaalsContact C-N 3.35Å; R125-I128 PolarHBondContact O-N 3.47Å; R125-R133 PolarHBondContact O-NH2 3.17Å |
| 126 | C | 61 | Low | 61.2 | Low | 108 Ų | 108 | 112.9 Ų | 112.9 | 73% | 0.73 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.3 | -28.2 | -178.8 | -68.6 | 0 | 0 | 0 | 0 | 113.3 | D122 Y123 Y124 | D122-C126 WeakPolarHBondContact O-CB 3.46Å; D122-C126 PolarHBondContact O-N 3.36Å; D122-C126 PolarHBondContact O-SG 2.84Å; Y123-C126 PolarHBondContact O-N 3.13Å; Y124-C126 VanDerWaalsContact C-N 3.33Å; Y124-C126 PolarHBondContact O-N 3.18Å |
| 127 | K | 59.9 | Low | 60.1 | Low | 140 Ų | 140 | 111.5 Ų | 111.5 | 61% | 0.609 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -80.3 | -17.2 | 175.6 | -73.2 | -67.4 | -163.6 | 175.7 | 0 | 114.3 | Y123 Y124 R125 | Y123-K127 HydrophobicContact CD1-CG 4.17Å; Y123-K127 HydrophobicContact CE1-CG 3.81Å; Y123-K127 HydrophobicContact CE2-CG 4.36Å; Y123-K127 VanDerWaalsContact CZ-CE 3.42Å; Y123-K127 WeakPolarHBondContact O-CB 3.27Å; Y123-K127 WeakPolarHBondContact O-CG 3.32Å; Y123-K127 PolarHBondContact O-N 3.06Å; Y123-K127 WeakPolarHBondContact OH-CE 3.33Å; Y124-K127 PolarHBondContact O-N 3.43Å; R125-K127 VanDerWaalsContact C-N 3.35Å |
| 128 | I | 53.7 | Low | 59.2 | Low | 44 Ų | 44 | 109.4 Ų | 109.4 | 23% | 0.226 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -83 | 115.9 | 171.6 | -65.7 | 172.2 | 0 | 0 | 0 | 109.4 | Y124 R125 A132 R133 | Y124-I128 HydrophobicContact CD1-CD1 3.72Å; Y124-I128 HydrophobicContact CD1-CG1 4.46Å; Y124-I128 HydrophobicContact CE1-CD1 3.35Å; Y124-I128 HydrophobicContact CE1-CG1 4.23Å; Y124-I128 WeakPolarHBondContact O-CG1 3.46Å; Y124-I128 PolarHBondContact O-N 3.15Å; R125-I128 PolarHBondContact O-N 3.47Å; I128-A132 HydrophobicContact CG2-CB 4.09Å; I128-R133 HydrophobicContact CG2-CG 3.79Å |
| 129 | T | 55.2 | Low | 58.3 | Low | 94 Ų | 94 | 111.1 Ų | 111.1 | 58% | 0.577 | 56% | 0.555 | S | S | * | * | trans | -53.7 | 134.4 | 172.6 | 41.3 | 0 | 0 | 0 | 0 | 110.5 | S131 A132 | T129-S131 PolarHBondContact O-N 3.37Å; T129-A132 PolarHBondContact O-N 3.32Å | ||
| 130 | P | 55.7 | Low | 57.4 | Low | 100 Ų | 100 | 107.4 Ų | 107.4 | 65% | 0.649 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -52.9 | -30.9 | -178.2 | -28.6 | 34.7 | 0 | 0 | 0 | 113.9 | A132 R133 | P130-A132 PolarHBondContact O-N 3.2Å; P130-R133 WeakPolarHBondContact O-CB 3.32Å; P130-R133 PolarHBondContact O-N 3.08Å |
| 131 | S | 53.2 | Low | 56.8 | Low | 98 Ų | 98 | 113.3 Ų | 113.3 | 69% | 0.685 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.6 | -36.4 | 176.3 | -164.9 | 0 | 0 | 0 | 0 | 113.3 | T129 R133 P135 | T129-S131 PolarHBondContact O-N 3.37Å; S131-R133 VanDerWaalsContact C-N 3.29Å; S131-R133 PolarHBondContact O-N 3.41Å; S131-P135 WeakPolarHBondContact O-CD 3.27Å |
| 132 | A | 53.4 | Low | 56 | Low | 41 Ų | 41 | 114.6 Ų | 114.6 | 34% | 0.339 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -78.3 | -7.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | I128 T129 P130 P135 | I128-A132 HydrophobicContact CG2-CB 4.09Å; T129-A132 PolarHBondContact O-N 3.32Å; P130-A132 PolarHBondContact O-N 3.2Å; A132-P135 WeakPolarHBondContact O-CD 3.13Å |
| 133 | R | 55 | Low | 55 | Low | 111 Ų | 111 | 113.1 Ų | 113.1 | 42% | 0.419 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -77.8 | -32.7 | 176.1 | -60.4 | -177.7 | -177.3 | 178.3 | 0.7 | 112.7 | R125 I128 P130 S131 C137 | R125-R133 PolarHBondContact O-NH2 3.17Å; I128-R133 HydrophobicContact CG2-CG 3.79Å; P130-R133 WeakPolarHBondContact O-CB 3.32Å; P130-R133 PolarHBondContact O-N 3.08Å; S131-R133 VanDerWaalsContact C-N 3.29Å; S131-R133 PolarHBondContact O-N 3.41Å; R133-C137 PolarHBondContact O-N 2.85Å |
| 134 | K | 52.3 | Low | 54.2 | Low | 158 Ų | 158 | 108.5 Ų | 108.5 | 69% | 0.687 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.8 | -46.9 | -180 | -78.9 | 177.7 | 175.6 | 178.3 | 0 | 114.2 | L136 N138 | K134-L136 PolarHBondContact O-N 3.46Å; K134-N138 WeakPolarHBondContact O-CB 3.4Å; K134-N138 PolarHBondContact O-N 3.17Å; K134-N138 VanDerWaalsContact O-N 3.08Å; K134-N138 PolarHBondContact O-ND2 3.46Å |
| 135 | P | 51.3 | Low | 53.8 | Low | 81 Ų | 81 | 104.7 Ų | 104.7 | 53% | 0.526 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.3 | -31.5 | -178.8 | 22.8 | -31.3 | 0 | 0 | 0 | 113.6 | S131 A132 R139 | S131-P135 WeakPolarHBondContact O-CD 3.27Å; A132-P135 WeakPolarHBondContact O-CD 3.13Å; P135-R139 WeakPolarHBondContact O-CB 3.46Å; P135-R139 PolarHBondContact O-N 2.92Å |
| 136 | L | 50.1 | Low | 53 | Low | 109 Ų | 109 | 103.5 Ų | 103.5 | 57% | 0.571 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72 | -41.4 | 176.3 | -79.6 | 164.4 | 0 | 0 | 0 | 112.6 | K134 N138 R139 V140 | K134-L136 PolarHBondContact O-N 3.46Å; L136-N138 VanDerWaalsContact C-N 3.32Å; L136-N138 PolarHBondContact O-N 3.36Å; L136-R139 PolarHBondContact O-N 3.27Å; L136-V140 WeakPolarHBondContact O-CG2 3.45Å; L136-V140 PolarHBondContact O-N 3.4Å; L136-V140 VanDerWaalsContact O-N 3.1Å |
| 137 | C | 50.2 | Low | 52.3 | Low | 83 Ų | 83 | 104.8 Ų | 104.8 | 56% | 0.561 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.2 | -35.2 | 173.8 | -79.6 | 0 | 0 | 0 | 0 | 112.6 | R133 R141 | R133-C137 PolarHBondContact O-N 2.85Å; C137-R141 WeakPolarHBondContact O-CB 3.45Å; C137-R141 PolarHBondContact O-N 3.49Å; C137-R141 VanDerWaalsContact O-N 3.11Å |
| 138 | N | 53 | Low | 51.7 | Low | 90 Ų | 90 | 104.2 Ų | 104.2 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71 | -38.6 | 175 | -73 | -14.9 | 0 | 0 | 0 | 111.9 | K134 L136 R141 M142 | K134-N138 WeakPolarHBondContact O-CB 3.4Å; K134-N138 PolarHBondContact O-N 3.17Å; K134-N138 VanDerWaalsContact O-N 3.08Å; K134-N138 PolarHBondContact O-ND2 3.46Å; L136-N138 VanDerWaalsContact C-N 3.32Å; L136-N138 PolarHBondContact O-N 3.36Å; N138-R141 PolarHBondContact O-N 3.33Å; N138-M142 WeakPolarHBondContact O-CB 3.37Å; N138-M142 VanDerWaalsContact O-CG 3.23Å; N138-M142 WeakPolarHBondContact O-CG 3.48Å; N138-M142 PolarHBondContact O-N 3.48Å |
| 139 | R | 52.6 | Low | 51.4 | Low | 196 Ų | 196 | 110.1 Ų | 110.1 | 74% | 0.74 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.7 | -41.5 | 177.4 | -167.7 | 175.4 | -180 | 177.7 | 0.2 | 112.9 | P135 L136 M142 A143 | P135-R139 WeakPolarHBondContact O-CB 3.46Å; P135-R139 PolarHBondContact O-N 2.92Å; L136-R139 PolarHBondContact O-N 3.27Å; R139-M142 PolarHBondContact O-N 3.21Å; R139-A143 WeakPolarHBondContact O-CB 3.5Å; R139-A143 PolarHBondContact O-N 2.86Å |
| 140 | V | 53.7 | Low | 51.2 | Low | 106 Ų | 106 | 111 Ų | 111 | 64% | 0.642 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.8 | -37.9 | 175.3 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | L136 A144 | L136-V140 WeakPolarHBondContact O-CG2 3.45Å; L136-V140 PolarHBondContact O-N 3.4Å; L136-V140 VanDerWaalsContact O-N 3.1Å; V140-A144 WeakPolarHBondContact O-CB 3.39Å; V140-A144 PolarHBondContact O-N 2.99Å; V140-A144 VanDerWaalsContact O-N 3.13Å |
| 141 | R | 53.8 | Low | 51.2 | Low | 183 Ų | 183 | 108.5 Ų | 108.5 | 69% | 0.691 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.7 | -41.1 | 173.2 | -91.2 | 175.5 | 51.8 | 168 | -5.7 | 113.1 | C137 N138 A144 V145 | C137-R141 WeakPolarHBondContact O-CB 3.45Å; C137-R141 PolarHBondContact O-N 3.49Å; C137-R141 VanDerWaalsContact O-N 3.11Å; N138-R141 PolarHBondContact O-N 3.33Å; R141-A144 PolarHBondContact O-N 3.36Å; R141-V145 WeakPolarHBondContact O-CG2 3.47Å; R141-V145 PolarHBondContact O-N 3Å |
| 142 | M | 50.8 | Low | 51.2 | Low | 114 Ų | 114 | 107.6 Ų | 107.6 | 56% | 0.562 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.4 | -41.6 | 179.8 | -71.1 | -60.2 | -68.6 | 0 | 0 | 111.9 | N138 R139 A144 V145 E146 | N138-M142 WeakPolarHBondContact O-CB 3.37Å; N138-M142 VanDerWaalsContact O-CG 3.23Å; N138-M142 WeakPolarHBondContact O-CG 3.48Å; N138-M142 PolarHBondContact O-N 3.48Å; R139-M142 PolarHBondContact O-N 3.21Å; M142-A144 VanDerWaalsContact C-N 3.28Å; M142-A144 PolarHBondContact O-N 3.29Å; M142-V145 CarbonylContact O-C 3.55Å; M142-V145 WeakPolarHBondContact O-CA 3.49Å; M142-V145 PolarHBondContact O-N 2.87Å; M142-E146 PolarHBondContact O-N 2.79Å |
| 143 | A | 52.8 | Low | 51 | Low | 57 Ų | 57 | 112.3 Ų | 112.3 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.2 | -36.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R139 V145 H147 | R139-A143 WeakPolarHBondContact O-CB 3.5Å; R139-A143 PolarHBondContact O-N 2.86Å; A143-V145 VanDerWaalsContact C-N 3.27Å; A143-V145 PolarHBondContact O-N 3.47Å; A143-H147 PolarHBondContact O-N 3.19Å |
| 144 | A | 49.7 | Very low | 50.5 | Low | 56 Ų | 56 | 112.1 Ų | 112.1 | 46% | 0.463 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -74.7 | -12.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V140 R141 M142 R148 | V140-A144 WeakPolarHBondContact O-CB 3.39Å; V140-A144 PolarHBondContact O-N 2.99Å; V140-A144 VanDerWaalsContact O-N 3.13Å; R141-A144 PolarHBondContact O-N 3.36Å; M142-A144 VanDerWaalsContact C-N 3.28Å; M142-A144 PolarHBondContact O-N 3.29Å; A144-R148 VanDerWaalsContact O-CG 3.27Å; A144-R148 WeakPolarHBondContact O-CG 3.48Å; A144-R148 PolarHBondContact O-NE 3.08Å |
| 145 | V | 50.8 | Low | 50.1 | Low | 62 Ų | 62 | 111.9 Ų | 111.9 | 38% | 0.376 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -93 | -41.2 | 172.2 | 164.4 | 0 | 0 | 0 | 0 | 110.7 | R141 M142 A143 H147 R148 H149 | R141-V145 WeakPolarHBondContact O-CG2 3.47Å; R141-V145 PolarHBondContact O-N 3Å; M142-V145 CarbonylContact O-C 3.55Å; M142-V145 WeakPolarHBondContact O-CA 3.49Å; M142-V145 PolarHBondContact O-N 2.87Å; A143-V145 VanDerWaalsContact C-N 3.27Å; A143-V145 PolarHBondContact O-N 3.47Å; V145-H147 VanDerWaalsContact C-N 3.31Å; V145-H147 PolarHBondContact O-N 2.86Å; V145-R148 VanDerWaalsContact O-CB 3.22Å; V145-R148 WeakPolarHBondContact O-CB 3.23Å; V145-R148 PolarHBondContact O-N 3.46Å; V145-H149 PolarHBondContact O-CD2 3.49Å |
| 146 | E | 45.8 | Very low | 50 | Low | 143 Ų | 143 | 117.4 Ų | 117.4 | 67% | 0.668 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61 | -38.5 | 174.4 | -92.1 | 174 | 142.7 | 0 | 0 | 112.3 | M142 R148 H149 | M142-E146 PolarHBondContact O-N 2.79Å; E146-R148 PolarHBondContact O-N 3.11Å; E146-H149 PolarHBondContact O-N 3.04Å |
| 147 | H | 44.5 | Very low | 50 | Low | 135 Ų | 135 | 115.3 Ų | 115.3 | 63% | 0.625 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.4 | -16.1 | 173.9 | -155.9 | -67.6 | 0 | 0 | 0 | 113.2 | A143 V145 S151 | A143-H147 PolarHBondContact O-N 3.19Å; V145-H147 VanDerWaalsContact C-N 3.31Å; V145-H147 PolarHBondContact O-N 2.86Å; H147-S151 PolarHBondContact O-OG 3.02Å |
| 148 | R | 47.8 | Very low | 49.8 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 48% | 0.479 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -76.7 | -24.5 | 178.2 | -66.9 | 174.9 | 177.7 | -138.3 | -6.9 | 113.7 | A144 V145 E146 Y155 | A144-R148 VanDerWaalsContact O-CG 3.27Å; A144-R148 WeakPolarHBondContact O-CG 3.48Å; A144-R148 PolarHBondContact O-NE 3.08Å; V145-R148 VanDerWaalsContact O-CB 3.22Å; V145-R148 WeakPolarHBondContact O-CB 3.23Å; V145-R148 PolarHBondContact O-N 3.46Å; E146-R148 PolarHBondContact O-N 3.11Å; R148-Y155 VanDerWaalsContact NH2-CE2 3.29Å |
| 149 | H | 48.4 | Very low | 49.7 | Very low | 169 Ų | 169 | 120.9 Ų | 120.9 | 78% | 0.782 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -85.7 | -20 | -178.5 | -71.6 | -97.6 | 0 | 0 | 0 | 112.7 | V145 E146 | V145-H149 PolarHBondContact O-CD2 3.49Å; E146-H149 PolarHBondContact O-N 3.04Å |
| 150 | S | 51.1 | Low | 50 | Low | 111 Ų | 111 | 115.2 Ų | 115.2 | 78% | 0.776 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -97.7 | -19.6 | -176.7 | -174 | 0 | 0 | 0 | 0 | 114.8 | ||
| 151 | S | 53.9 | Low | 49.8 | Very low | 49 Ų | 49 | 114.1 Ų | 114.1 | 34% | 0.343 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -102.3 | -7.9 | -167.8 | 69.9 | 0 | 0 | 0 | 0 | 115.8 | H147 L153 | H147-S151 PolarHBondContact O-OG 3.02Å; S151-L153 WeakPolarHBondContact O-CG 3.5Å; S151-L153 PolarHBondContact O-N 3.32Å |
| 152 | G | 54.5 | Low | 49.7 | Very low | 79 Ų | 79 | 112.1 Ų | 112.1 | 81% | 0.814 | 60% | 0.6 | S | S | * | * | trans | 55.3 | 12.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 153 | L | 49 | Very low | 49.9 | Very low | 140 Ų | 140 | 109.4 Ų | 109.4 | 73% | 0.733 | 59% | 0.59 | S | S | * | * | trans | -112.7 | 136.1 | -171.6 | -77.7 | 169.7 | 0 | 0 | 0 | 110.9 | S151 Y155 | S151-L153 WeakPolarHBondContact O-CG 3.5Å; S151-L153 PolarHBondContact O-N 3.32Å; L153-Y155 PolarHBondContact O-N 2.95Å | ||
| 154 | P | 45.4 | Very low | 49.9 | Very low | 106 Ų | 106 | 110.9 Ų | 110.9 | 69% | 0.688 | 59% | 0.59 | S | S | * | * | trans | -66.5 | 128.7 | -178.8 | 25.3 | -31 | 0 | 0 | 0 | 111.1 | W156 | P154-W156 PolarHBondContact O-N 2.95Š| ||
| 155 | Y | 43.8 | Very low | 50.2 | Low | 153 Ų | 153 | 115.6 Ų | 115.6 | 60% | 0.6 | 60% | 0.599 | S | S | * | * | trans | -61 | 112.1 | -180 | 175.2 | -114.9 | 0 | 0 | 0 | 111.5 | R148 L153 P157 | R148-Y155 VanDerWaalsContact NH2-CE2 3.29Å; L153-Y155 PolarHBondContact O-N 2.95Å; Y155-P157 HydrophobicContact CD1-CB 4.35Å; Y155-P157 VanDerWaalsContact CD1-CD 3.49Å; Y155-P157 HydrophobicContact CD1-CG 3.84Å; Y155-P157 HydrophobicContact CE1-CB 3.57Å; Y155-P157 HydrophobicContact CE1-CG 3.34Å; Y155-P157 HydrophobicContact CE2-CB 4.12Å; Y155-P157 VanDerWaalsContact CZ-CB 3.44Å; Y155-P157 VanDerWaalsContact O-CD 3.32Å; Y155-P157 WeakPolarHBondContact O-CD 3.31Å; Y155-P157 WeakPolarHBondContact OH-CB 3.25Å | ||
| 156 | W | 48.3 | Very low | 50.6 | Low | 198 Ų | 198 | 117.7 Ų | 117.7 | 75% | 0.75 | 61% | 0.609 | S | S | * | * | trans | -101.4 | 91.9 | 162 | -83 | 78.5 | 0 | 0 | 0 | 108.6 | P154 | P154-W156 PolarHBondContact O-N 2.95Š| ||
| 157 | P | 50.3 | Low | 51.1 | Low | 64 Ų | 64 | 119 Ų | 119 | 42% | 0.416 | 61% | 0.608 | S | S | . | * | trans | -66.1 | 141.6 | 167.2 | 25.9 | -23.2 | 0 | 0 | 0 | 108 | Y155 L159 | Y155-P157 HydrophobicContact CD1-CB 4.35Å; Y155-P157 VanDerWaalsContact CD1-CD 3.49Å; Y155-P157 HydrophobicContact CD1-CG 3.84Å; Y155-P157 HydrophobicContact CE1-CB 3.57Å; Y155-P157 HydrophobicContact CE1-CG 3.34Å; Y155-P157 HydrophobicContact CE2-CB 4.12Å; Y155-P157 VanDerWaalsContact CZ-CB 3.44Å; Y155-P157 VanDerWaalsContact O-CD 3.32Å; Y155-P157 WeakPolarHBondContact O-CD 3.31Å; Y155-P157 WeakPolarHBondContact OH-CB 3.25Å; P157-L159 PolarHBondContact O-N 3.32Å | ||
| 158 | Y | 46.4 | Very low | 51.5 | Low | 215 Ų | 215 | 119.3 Ų | 119.3 | 84% | 0.843 | 61% | 0.611 | S | S | * | * | trans | 0.3 | 107.5 | 148.7 | -103 | -101.3 | 0 | 0 | 0 | 113.5 | T160 | Y158-T160 VanDerWaalsContact C-N 3.34Å; Y158-T160 PolarHBondContact O-N 2.96Å | ||
| 159 | L | 51.2 | Low | 51.9 | Low | 75 Ų | 75 | 116.1 Ų | 116.1 | 39% | 0.393 | 62% | 0.618 | S | S | . | * | trans | -50.5 | 106.3 | 162 | -73.2 | 163.5 | 0 | 0 | 0 | 106.4 | P157 T163 | P157-L159 PolarHBondContact O-N 3.32Å; L159-T163 HydrophobicContact CD2-CG2 3.5Å; L159-T163 VanDerWaalsContact CD2-CG2 3.5Å | ||
| 160 | T | 58.2 | Low | 52.3 | Low | 77 Ų | 77 | 115.6 Ų | 115.6 | 47% | 0.472 | 62% | 0.615 | S | S | . | * | trans | -63.1 | 153.7 | 175.3 | 56.2 | 0 | 0 | 0 | 0 | 107.3 | Y158 E162 T163 L164 | Y158-T160 VanDerWaalsContact C-N 3.34Å; Y158-T160 PolarHBondContact O-N 2.96Å; T160-E162 PolarHBondContact O-N 3.28Å; T160-T163 PolarHBondContact N-OG1 3.18Å; T160-T163 WeakPolarHBondContact O-CB 3.34Å; T160-T163 PolarHBondContact O-N 3.49Å; T160-T163 PolarHBondContact OG1-OG1 3.38Å; T160-L164 PolarHBondContact O-N 3.39Å; T160-L164 VanDerWaalsContact O-N 3.15Å | ||
| 161 | A | 50 | Low | 52.6 | Low | 83 Ų | 83 | 118.7 Ų | 118.7 | 69% | 0.686 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -53.8 | -23.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K165 | A161-K165 WeakPolarHBondContact O-CB 3.37Å; A161-K165 PolarHBondContact O-N 3.21Å |
| 162 | E | 51.8 | Low | 52.9 | Low | 142 Ų | 142 | 121.3 Ų | 121.3 | 66% | 0.664 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.2 | -42.2 | 173.4 | -145.7 | 161.6 | -161.4 | 0 | 0 | 112.8 | T160 L164 K165 N166 | T160-E162 PolarHBondContact O-N 3.28Å; E162-L164 VanDerWaalsContact C-N 3.29Å; E162-L164 PolarHBondContact O-N 2.67Å; E162-K165 PolarHBondContact O-N 3.3Å; E162-N166 PolarHBondContact O-N 2.99Å; E162-N166 PolarHBondContact O-ND2 3.43Å |
| 163 | T | 53.8 | Low | 53.2 | Low | 56 Ų | 56 | 123.2 Ų | 123.2 | 34% | 0.344 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.8 | -33.3 | 172.6 | -36.5 | 0 | 0 | 0 | 0 | 112.2 | L159 T160 R167 | L159-T163 HydrophobicContact CD2-CG2 3.5Å; L159-T163 VanDerWaalsContact CD2-CG2 3.5Å; T160-T163 PolarHBondContact N-OG1 3.18Å; T160-T163 WeakPolarHBondContact O-CB 3.34Å; T160-T163 PolarHBondContact O-N 3.49Å; T160-T163 PolarHBondContact OG1-OG1 3.38Å; T163-R167 PolarHBondContact O-N 2.96Å |
| 164 | L | 53.4 | Low | 53.9 | Low | 89 Ų | 89 | 121.7 Ų | 121.7 | 47% | 0.466 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -73 | -37.1 | 176.2 | -131 | 148.9 | 0 | 0 | 0 | 111.5 | T160 E162 R167 M168 | T160-L164 PolarHBondContact O-N 3.39Å; T160-L164 VanDerWaalsContact O-N 3.15Å; E162-L164 VanDerWaalsContact C-N 3.29Å; E162-L164 PolarHBondContact O-N 2.67Å; L164-R167 PolarHBondContact O-N 2.92Å; L164-M168 HydrophobicContact CD2-CE 3.85Å; L164-M168 HydrophobicContact CD2-SD 4.2Å; L164-M168 WeakPolarHBondContact O-CG 3.45Å; L164-M168 PolarHBondContact O-N 3.47Å; L164-M168 VanDerWaalsContact O-N 3.15Å |
| 165 | K | 55.8 | Low | 54.3 | Low | 154 Ų | 154 | 122.5 Ų | 122.5 | 67% | 0.67 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.7 | -44.3 | 172.2 | -99.3 | -176.8 | 171.8 | -176.3 | 0 | 112.8 | A161 E162 R167 M168 G169 | A161-K165 WeakPolarHBondContact O-CB 3.37Å; A161-K165 PolarHBondContact O-N 3.21Å; E162-K165 PolarHBondContact O-N 3.3Å; K165-R167 PolarHBondContact O-N 3.01Å; K165-M168 PolarHBondContact O-N 3.48Å; K165-M168 VanDerWaalsContact O-N 3.17Å; K165-G169 PolarHBondContact O-N 3.39Å |
| 166 | N | 58.2 | Low | 55.1 | Low | 107 Ų | 107 | 121.7 Ų | 121.7 | 57% | 0.572 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.3 | -25.9 | 179.5 | -65.9 | -16.7 | 0 | 0 | 0 | 112.6 | E162 H170 | E162-N166 PolarHBondContact O-N 2.99Å; E162-N166 PolarHBondContact O-ND2 3.43Å; N166-H170 PolarHBondContact O-CD2 3.27Å |
| 167 | R | 57.6 | Low | 55.5 | Low | 171 Ų | 171 | 121 Ų | 121 | 65% | 0.645 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -79.4 | -28.8 | 172.2 | -78.4 | -176.4 | 172.4 | -178.7 | -1.8 | 114.1 | T163 L164 K165 | T163-R167 PolarHBondContact O-N 2.96Å; L164-R167 PolarHBondContact O-N 2.92Å; K165-R167 PolarHBondContact O-N 3.01Å |
| 168 | M | 53.6 | Low | 55.7 | Low | 140 Ų | 140 | 130.6 Ų | 130.6 | 69% | 0.69 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -85.6 | -17 | 175.9 | -69.5 | -172.8 | -64.8 | 0 | 0 | 113.3 | L164 K165 | L164-M168 HydrophobicContact CD2-CE 3.85Å; L164-M168 HydrophobicContact CD2-SD 4.2Å; L164-M168 WeakPolarHBondContact O-CG 3.45Å; L164-M168 PolarHBondContact O-N 3.47Å; L164-M168 VanDerWaalsContact O-N 3.15Å; K165-M168 PolarHBondContact O-N 3.48Å; K165-M168 VanDerWaalsContact O-N 3.17Å |
| 169 | G | 55 | Low | 56.2 | Low | 61 Ų | 61 | 126.4 Ų | 126.4 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -87.7 | -7.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K165 Q171 | K165-G169 PolarHBondContact O-N 3.39Å; G169-Q171 PolarHBondContact O-N 3.33Å |
| 170 | H | 56.1 | Low | 56.5 | Low | 158 Ų | 158 | 129.1 Ų | 129.1 | 73% | 0.731 | 70% | 0.698 | S | S | * | * | trans | -90.3 | 96.8 | 173 | -75.3 | -62.8 | 0 | 0 | 0 | 109.9 | N166 | N166-H170 PolarHBondContact O-CD2 3.27Š| ||
| 171 | Q | 57.8 | Low | 56.4 | Low | 175 Ų | 175 | 131.9 Ų | 131.9 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 134.8 | 154.2 | -113.7 | -164.4 | -8.7 | 0 | 0 | 108 | G169 | G169-Q171 PolarHBondContact O-N 3.33Š|
| 172 | P | 60.4 | Low | 56.7 | Low | 105 Ų | 105 | 134.8 Ų | 134.8 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 140.9 | 165.6 | 25.7 | -31 | 0 | 0 | 0 | 108.5 | ||
| 173 | P | 61.3 | Low | 57 | Low | 118 Ų | 118 | 134.4 Ų | 134.4 | 77% | 0.766 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 143.3 | 175.9 | 24.4 | -32.2 | 0 | 0 | 0 | 109.4 | ||
| 174 | P | 64.3 | Low | 57.3 | Low | 109 Ų | 109 | 139.6 Ų | 139.6 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 146.1 | 179.5 | 24.8 | -32.4 | 0 | 0 | 0 | 110.1 | T176 | P174-T176 PolarHBondContact O-N 3.29Š|
| 175 | P | 53.6 | Low | 57.5 | Low | 122 Ų | 122 | 143.2 Ų | 143.2 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 123.8 | -179 | 24.6 | -32 | 0 | 0 | 0 | 109.8 | Q177 | P175-Q177 PolarHBondContact O-N 3.49Š|
| 176 | T | 61.1 | Low | 57.7 | Low | 137 Ų | 137 | 142.4 Ų | 142.4 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 116.8 | 171.9 | -42.2 | 0 | 0 | 0 | 0 | 108.3 | P174 | P174-T176 PolarHBondContact O-N 3.29Š|
| 177 | Q | 55.8 | Low | 57.6 | Low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 127.4 | 166.8 | -64.9 | -141.9 | 10.5 | 0 | 0 | 108.3 | P175 | P175-Q177 PolarHBondContact O-N 3.49Š|
| 178 | Q | 55.1 | Low | 57.6 | Low | 264 Ų | 264 | 143 Ų | 143 | 100% | 1.234 | 80% | 0.795 | S | S | * | * | trans | -75.2 | 0 | 165.8 | -72.5 | -173.6 | -12.9 | 0 | 0 | 110.1 |
Retrieved 178 of 178 residues in 45.3 ms
(Link to these results)