| 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 | P | 46.5 | Very low | 47.6 | Very low | 176 Ų | 176 | 128.6 Ų | 128.6 | 100% | 1.143 | 77% | 0.77 | S | S | * | * | 0 | 90.2 | 0 | 26.4 | -3.9 | 0 | 0 | 0 | 111.2 | |||||
| 2 | C | 35.7 | Very low | 48.4 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 91% | 0.912 | 74% | 0.743 | S | S | * | * | trans | -146.6 | 99.1 | 160.6 | -77.6 | 0 | 0 | 0 | 0 | 106.5 | G4 | C2-G4 PolarHBondContact O-N 3.18Š| ||
| 3 | C | 42 | Very low | 49.2 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 95% | 0.946 | 74% | 0.736 | S | S | * | * | trans | -77.4 | 103.5 | 173.2 | -67.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 4 | G | 37.5 | Very low | 50.3 | Low | 72 Ų | 72 | 127.8 Ų | 127.8 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | trans | -98.1 | 86.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | C2 K6 | C2-G4 PolarHBondContact O-N 3.18Å; G4-K6 PolarHBondContact O-N 3.22Å | ||
| 5 | G | 42.3 | Very low | 51.1 | Low | 71 Ų | 71 | 124.5 Ų | 124.5 | 73% | 0.732 | 71% | 0.708 | S | S | * | * | trans | -64.7 | 114 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | I7 | G5-I7 PolarHBondContact O-N 3.36Å; G5-I7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | K | 47 | Very low | 51.5 | Low | 205 Ų | 205 | 120.4 Ų | 120.4 | 89% | 0.891 | 69% | 0.694 | S | S | * | * | trans | -72.4 | 99.6 | 165.1 | -70.1 | 178.8 | 179.7 | 178.3 | 0 | 106.6 | G4 D8 | G4-K6 PolarHBondContact O-N 3.22Å; K6-D8 PolarHBondContact O-N 3.48Å | ||
| 7 | I | 53.5 | Low | 51.7 | Low | 132 Ų | 132 | 119.9 Ų | 119.9 | 68% | 0.677 | 69% | 0.689 | S | S | * | * | trans | -69.1 | 116.2 | 164.4 | -65 | 167.9 | 0 | 0 | 0 | 105.5 | G5 R9 A12 | G5-I7 PolarHBondContact O-N 3.36Å; G5-I7 VanDerWaalsContact O-N 3.15Å; I7-R9 PolarHBondContact O-N 3.12Å; I7-A12 HydrophobicContact CG2-CB 4.28Å | ||
| 8 | D | 54.5 | Low | 51.6 | Low | 115 Ų | 115 | 119.5 Ų | 119.5 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | trans | -64.4 | 132.4 | -177.9 | -131.7 | -37.6 | 0 | 0 | 0 | 108.8 | K6 A10 E11 A12 | K6-D8 PolarHBondContact O-N 3.48Å; D8-A10 PolarHBondContact O-N 3.13Å; D8-E11 HydrophobicContact CB-CB 4.33Å; D8-E11 WeakPolarHBondContact O-CA 3.49Å; D8-E11 WeakPolarHBondContact O-CB 3.38Å; D8-E11 PolarHBondContact O-N 2.92Å; D8-A12 PolarHBondContact O-N 3.25Å | ||
| 9 | R | 53 | Low | 51.8 | Low | 181 Ų | 181 | 118.5 Ų | 118.5 | 68% | 0.683 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -58.3 | -23.1 | -175.9 | -170.5 | -176.9 | -80.4 | -158.4 | -3.2 | 111.6 | I7 R13 | I7-R9 PolarHBondContact O-N 3.12Å; R9-R13 WeakPolarHBondContact O-CG 3.39Å; R9-R13 PolarHBondContact O-N 2.99Å |
| 10 | A | 56.3 | Low | 51.7 | Low | 70 Ų | 70 | 121.3 Ų | 121.3 | 58% | 0.579 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.7 | -38.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | D8 R13 Y14 | D8-A10 PolarHBondContact O-N 3.13Å; A10-R13 PolarHBondContact O-N 3.29Å; A10-Y14 WeakPolarHBondContact O-CB 3.49Å; A10-Y14 PolarHBondContact O-N 3.25Å |
| 11 | E | 55.7 | Low | 51.7 | Low | 118 Ų | 118 | 120.8 Ų | 120.8 | 55% | 0.551 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.7 | -40.3 | -178.6 | -155.7 | 174.5 | -165.3 | 0 | 0 | 110.8 | D8 R13 Y14 V15 | D8-E11 HydrophobicContact CB-CB 4.33Å; D8-E11 WeakPolarHBondContact O-CA 3.49Å; D8-E11 WeakPolarHBondContact O-CB 3.38Å; D8-E11 PolarHBondContact O-N 2.92Å; E11-R13 PolarHBondContact O-N 2.91Å; E11-Y14 PolarHBondContact O-N 3.17Å; E11-V15 VanDerWaalsContact O-CG2 3.3Å; E11-V15 WeakPolarHBondContact O-CG2 3.48Å; E11-V15 PolarHBondContact O-N 3.39Å |
| 12 | A | 57.2 | Low | 51.7 | Low | 54 Ų | 54 | 123.2 Ų | 123.2 | 45% | 0.446 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -64.6 | -37 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I7 D8 A16 | I7-A12 HydrophobicContact CG2-CB 4.28Å; D8-A12 PolarHBondContact O-N 3.25Å; A12-A16 WeakPolarHBondContact O-CB 3.49Å; A12-A16 PolarHBondContact O-N 2.96Å; A12-A16 VanDerWaalsContact O-N 3.12Å |
| 13 | R | 58.2 | Low | 52 | Low | 171 Ų | 171 | 119.4 Ų | 119.4 | 65% | 0.645 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.8 | -40 | 174.9 | -77.5 | 179.7 | 179.9 | -172.8 | -1.2 | 112.2 | R9 A10 E11 A16 D17 | R9-R13 WeakPolarHBondContact O-CG 3.39Å; R9-R13 PolarHBondContact O-N 2.99Å; A10-R13 PolarHBondContact O-N 3.29Å; E11-R13 PolarHBondContact O-N 2.91Å; R13-A16 PolarHBondContact O-N 2.78Å; R13-D17 PolarHBondContact O-N 3.44Å |
| 14 | Y | 65.1 | Low | 52.1 | Low | 149 Ų | 149 | 120 Ų | 120 | 58% | 0.584 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.1 | -40.2 | 177.7 | -173.3 | -101.4 | 0 | 0 | 0 | 112.4 | A10 E11 D17 Q18 | A10-Y14 WeakPolarHBondContact O-CB 3.49Å; A10-Y14 PolarHBondContact O-N 3.25Å; E11-Y14 PolarHBondContact O-N 3.17Å; Y14-D17 PolarHBondContact O-N 3.49Å; Y14-Q18 HydrophobicContact CE1-CG 4.29Å; Y14-Q18 PolarHBondContact O-N 2.96Å; Y14-Q18 PolarHBondContact OH-NE2 3.48Å |
| 15 | V | 62.1 | Low | 52.1 | Low | 79 Ų | 79 | 123.8 Ų | 123.8 | 48% | 0.479 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.7 | -38.8 | 175.3 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | E11 Q18 V19 | E11-V15 VanDerWaalsContact O-CG2 3.3Å; E11-V15 WeakPolarHBondContact O-CG2 3.48Å; E11-V15 PolarHBondContact O-N 3.39Å; V15-Q18 PolarHBondContact O-N 3.4Å; V15-V19 VanDerWaalsContact O-CG2 3.27Å; V15-V19 WeakPolarHBondContact O-CG2 3.37Å; V15-V19 PolarHBondContact O-N 2.85Å |
| 16 | A | 57.4 | Low | 52.1 | Low | 58 Ų | 58 | 128.8 Ų | 128.8 | 48% | 0.479 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.3 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A12 R13 V19 Y20 | A12-A16 WeakPolarHBondContact O-CB 3.49Å; A12-A16 PolarHBondContact O-N 2.96Å; A12-A16 VanDerWaalsContact O-N 3.12Å; R13-A16 PolarHBondContact O-N 2.78Å; A16-V19 PolarHBondContact O-N 2.93Å; A16-Y20 WeakPolarHBondContact O-CB 3.35Å; A16-Y20 PolarHBondContact O-N 3.01Å |
| 17 | D | 54.3 | Low | 52 | Low | 113 Ų | 113 | 124.4 Ų | 124.4 | 60% | 0.604 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.3 | -39.5 | 175.8 | -88 | -1 | 0 | 0 | 0 | 112.2 | R13 Y14 V19 Y20 V21 | R13-D17 PolarHBondContact O-N 3.44Å; Y14-D17 PolarHBondContact O-N 3.49Å; D17-V19 VanDerWaalsContact C-N 3.32Å; D17-V19 PolarHBondContact O-N 3.09Å; D17-Y20 PolarHBondContact O-N 3.39Å; D17-V21 WeakPolarHBondContact O-CG2 3.37Å; D17-V21 PolarHBondContact O-N 2.91Å |
| 18 | Q | 51 | Low | 51.6 | Low | 112 Ų | 112 | 122.8 Ų | 122.8 | 52% | 0.523 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.8 | -36.2 | 174.4 | -83.7 | -166 | -0.2 | 0 | 0 | 113 | Y14 V15 R22 | Y14-Q18 HydrophobicContact CE1-CG 4.29Å; Y14-Q18 PolarHBondContact O-N 2.96Å; Y14-Q18 PolarHBondContact OH-NE2 3.48Å; V15-Q18 PolarHBondContact O-N 3.4Å; Q18-R22 PolarHBondContact O-N 3.47Å |
| 19 | V | 55.4 | Low | 51 | Low | 101 Ų | 101 | 126.5 Ų | 126.5 | 61% | 0.612 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.7 | -34.3 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 111 | V15 A16 D17 R22 | V15-V19 VanDerWaalsContact O-CG2 3.27Å; V15-V19 WeakPolarHBondContact O-CG2 3.37Å; V15-V19 PolarHBondContact O-N 2.85Å; A16-V19 PolarHBondContact O-N 2.93Å; D17-V19 VanDerWaalsContact C-N 3.32Å; D17-V19 PolarHBondContact O-N 3.09Å; V19-R22 PolarHBondContact O-N 2.94Å |
| 20 | Y | 49.8 | Very low | 50.3 | Low | 173 Ų | 173 | 125.4 Ų | 125.4 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.6 | -39.8 | 177.5 | -163.1 | -96.4 | 0 | 0 | 0 | 112.5 | A16 D17 R22 G23 | A16-Y20 WeakPolarHBondContact O-CB 3.35Å; A16-Y20 PolarHBondContact O-N 3.01Å; D17-Y20 PolarHBondContact O-N 3.39Å; Y20-R22 VanDerWaalsContact C-N 3.3Å; Y20-R22 PolarHBondContact O-N 3.38Å; Y20-G23 PolarHBondContact O-N 3.17Å |
| 21 | V | 51.6 | Low | 50 | Low | 111 Ų | 111 | 129.1 Ų | 129.1 | 67% | 0.673 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68.6 | -28.1 | 177.2 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | D17 G23 | D17-V21 WeakPolarHBondContact O-CG2 3.37Å; D17-V21 PolarHBondContact O-N 2.91Å; V21-G23 VanDerWaalsContact C-N 3.35Å; V21-G23 PolarHBondContact O-N 2.79Å |
| 22 | R | 46.5 | Very low | 49.8 | Very low | 228 Ų | 228 | 133.1 Ų | 133.1 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -9 | -178.2 | -153.6 | 172.8 | -169.9 | 179.8 | 2.8 | 114.4 | Q18 V19 Y20 | Q18-R22 PolarHBondContact O-N 3.47Å; V19-R22 PolarHBondContact O-N 2.94Å; Y20-R22 VanDerWaalsContact C-N 3.3Å; Y20-R22 PolarHBondContact O-N 3.38Å |
| 23 | G | 41.2 | Very low | 48.9 | Very low | 54 Ų | 54 | 139 Ų | 139 | 56% | 0.557 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -9.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y20 V21 | Y20-G23 PolarHBondContact O-N 3.17Å; V21-G23 VanDerWaalsContact C-N 3.35Å; V21-G23 PolarHBondContact O-N 2.79Å |
| 24 | F | 43.5 | Very low | 48.3 | Very low | 154 Ų | 154 | 140 Ų | 140 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | trans | -137.3 | 33.1 | -170.9 | -83.9 | -79.7 | 0 | 0 | 0 | 114.8 | F26 | F24-F26 HydrophobicContact CD1-CE2 4.19Å; F24-F26 PolarHBondContact O-N 2.99Å | ||
| 25 | D | 37.6 | Very low | 47 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | trans | -86.1 | 95.4 | 162.9 | -93.2 | -26.2 | 0 | 0 | 0 | 109.5 | ||||
| 26 | F | 43.1 | Very low | 46.9 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 77% | 0.772 | 73% | 0.733 | S | S | * | * | trans | -83.5 | 120.8 | 160.5 | -79.5 | -88.3 | 0 | 0 | 0 | 107.7 | F24 A28 | F24-F26 HydrophobicContact CD1-CE2 4.19Å; F24-F26 PolarHBondContact O-N 2.99Å; F26-A28 PolarHBondContact O-N 3.45Å | ||
| 27 | P | 43.9 | Very low | 45.6 | Very low | 114 Ų | 114 | 142 Ų | 142 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | trans | -62.5 | 127.8 | 174.5 | 25.4 | -30.9 | 0 | 0 | 0 | 108.8 | E29 | P27-E29 PolarHBondContact O-N 3.43Å; P27-E29 VanDerWaalsContact O-N 3.14Å | ||
| 28 | A | 45.3 | Very low | 44.8 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | -62.2 | 112.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | F26 D30 | F26-A28 PolarHBondContact O-N 3.45Å; A28-D30 VanDerWaalsContact C-N 3.35Å; A28-D30 PolarHBondContact O-N 3.38Å | ||
| 29 | E | 41.7 | Very low | 43.9 | Very low | 193 Ų | 193 | 143.3 Ų | 143.3 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -65.2 | 100.5 | 166.4 | -76.1 | -168.1 | 151.4 | 0 | 0 | 107.6 | P27 | P27-E29 PolarHBondContact O-N 3.43Å; P27-E29 VanDerWaalsContact O-N 3.14Å | ||
| 30 | D | 39.8 | Very low | 42.8 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | -73.9 | 122 | 161.6 | -148 | -1.3 | 0 | 0 | 0 | 106.9 | A28 K32 | A28-D30 VanDerWaalsContact C-N 3.35Å; A28-D30 PolarHBondContact O-N 3.38Å; D30-K32 PolarHBondContact O-N 2.95Å | ||
| 31 | D | 50.1 | Low | 41.9 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -52 | 108.7 | 174.5 | -79 | -49.3 | 0 | 0 | 0 | 110 | ||
| 32 | K | 51.6 | Low | 41 | Very low | 202 Ų | 202 | 144.6 Ų | 144.6 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | trans | 169.8 | 100.3 | 143.3 | -91 | 152.9 | -160 | 178.1 | 0 | 110 | D30 | D30-K32 PolarHBondContact O-N 2.95Š| ||
| 33 | K | 36.8 | Very low | 40.5 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | trans | -140.4 | 93.4 | 150.6 | -114.9 | 176.3 | 177.2 | -177.6 | 0 | 110 | L35 | K33-L35 HydrophobicContact CB-CG 4.48Å; K33-L35 HydrophobicContact CD-CD1 3.61Å; K33-L35 HydrophobicContact CD-CG 4.24Å; K33-L35 HydrophobicContact CG-CD1 4Å; K33-L35 HydrophobicContact CG-CG 4.06Å; K33-L35 PolarHBondContact O-N 2.92Å | ||
| 34 | E | 47.3 | Very low | 40.2 | Very low | 191 Ų | 191 | 148.3 Ų | 148.3 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -61.2 | 114.1 | 143.8 | -66.7 | -174.9 | 167.4 | 0 | 0 | 107.9 | ||||
| 35 | L | 37.5 | Very low | 39.6 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | trans | -145.6 | 95.6 | 162.6 | -70.6 | 175.7 | 0 | 0 | 0 | 104.3 | K33 | K33-L35 HydrophobicContact CB-CG 4.48Å; K33-L35 HydrophobicContact CD-CD1 3.61Å; K33-L35 HydrophobicContact CD-CG 4.24Å; K33-L35 HydrophobicContact CG-CD1 4Å; K33-L35 HydrophobicContact CG-CG 4.06Å; K33-L35 PolarHBondContact O-N 2.92Å | ||
| 36 | S | 58.6 | Low | 39.3 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | 43.7 | 104.6 | 79.9 | -163.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 37 | G | 30.1 | Very low | 39 | Very low | 76 Ų | 76 | 146.4 Ų | 146.4 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -169.2 | 70.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 38 | S | 38.2 | Very low | 38.8 | Very low | 91 Ų | 91 | 145.9 Ų | 145.9 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | 29 | 120.1 | 136.7 | -173.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 39 | E | 32.1 | Very low | 38.3 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | 80.6 | 122.4 | 127.2 | -68.6 | 157.7 | -133.4 | 0 | 0 | 124 | |||||
| 40 | D | 32.4 | Very low | 38 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | 60.9 | 130.4 | 143.4 | -58.5 | -16.5 | 0 | 0 | 0 | 118.7 | ||||
| 41 | D | 31.3 | Very low | 37.8 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | cis | -172.5 | 168.2 | 41.6 | -171 | 7.6 | 0 | 0 | 0 | 109.9 | ||||
| 42 | I | 31.3 | Very low | 37.4 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | trans | 99.9 | 89.3 | 153.6 | -47.7 | 178.4 | 0 | 0 | 0 | 117.9 | ||||
| 43 | R | 36.6 | Very low | 36.8 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | 64.1 | 145.5 | 126.8 | -61.1 | 179.5 | -169.7 | -160.8 | -0.8 | 117.5 | |||||
| 44 | E | 34.7 | Very low | 36.8 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | cis | -164.9 | 135.7 | 22.5 | -123.6 | 154.6 | -144.7 | 0 | 0 | 104 | ||||
| 45 | D | 30.8 | Very low | 36.7 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | 96.7 | 100.6 | 115.6 | -159.9 | 32.6 | 0 | 0 | 0 | 114 | |||||
| 46 | E | 32.8 | Very low | 36.9 | Very low | 171 Ų | 171 | 145 Ų | 145 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | 164.8 | 136.1 | 111.6 | -87.7 | -163.6 | 148 | 0 | 0 | 109.6 | |||||
| 47 | T | 35.2 | Very low | 35.9 | Very low | 135 Ų | 135 | 150.4 Ų | 150.4 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | trans | -98.2 | -164.2 | -170.9 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 48 | P | 41.1 | Very low | 36.2 | Very low | 102 Ų | 102 | 153.1 Ų | 153.1 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | -114.3 | 137.9 | -114.7 | 26.3 | -3.7 | 0 | 0 | 0 | 112.6 | V50 | P48-V50 PolarHBondContact O-N 3.42Š| |||
| 49 | I | 33.4 | Very low | 36.2 | Very low | 173 Ų | 173 | 153.3 Ų | 153.3 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -82.6 | 95 | 172 | -59.6 | 178.6 | 0 | 0 | 0 | 109.2 | ||||
| 50 | V | 36.2 | Very low | 36.8 | Very low | 96 Ų | 96 | 151.2 Ų | 151.2 | 58% | 0.582 | 78% | 0.782 | S | S | * | * | trans | -72.5 | 117.8 | 166.4 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | P48 K52 | P48-V50 PolarHBondContact O-N 3.42Å; V50-K52 HydrophobicContact CG1-CD 4.41Å; V50-K52 HydrophobicContact CG1-CG 3.9Å; V50-K52 PolarHBondContact O-N 3.22Å | ||
| 51 | D | 35.9 | Very low | 37.2 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -81.4 | 93.3 | 173 | -129.3 | -12.8 | 0 | 0 | 0 | 110.1 | ||||
| 52 | K | 42 | Very low | 37.4 | Very low | 173 Ų | 173 | 155 Ų | 155 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -93.2 | 93 | 172.9 | -86 | 175.2 | -177.2 | 179.1 | 0 | 110 | V50 S54 | V50-K52 HydrophobicContact CG1-CD 4.41Å; V50-K52 HydrophobicContact CG1-CG 3.9Å; V50-K52 PolarHBondContact O-N 3.22Å; K52-S54 PolarHBondContact O-N 3.38Å; K52-S54 PolarHBondContact O-OG 2.92Å | ||
| 53 | L | 38.8 | Very low | 37.8 | Very low | 170 Ų | 170 | 156 Ų | 156 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -68.6 | 98 | 167.6 | -118.5 | 96.6 | 0 | 0 | 0 | 110.1 | ||||
| 54 | S | 36.5 | Very low | 37.9 | Very low | 102 Ų | 102 | 155 Ų | 155 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -90.7 | 118 | 178.2 | -55.4 | 0 | 0 | 0 | 0 | 110.3 | K52 | K52-S54 PolarHBondContact O-N 3.38Å; K52-S54 PolarHBondContact O-OG 2.92Å | ||
| 55 | K | 45.3 | Very low | 37.8 | Very low | 211 Ų | 211 | 150.9 Ų | 150.9 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -48.2 | 127 | 169.4 | -160 | 164.8 | -174.1 | 167.7 | 0 | 111.8 | ||||
| 56 | K | 42.1 | Very low | 38.6 | Very low | 203 Ų | 203 | 151.5 Ų | 151.5 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -116 | 132.8 | 163.2 | -81.2 | -167.6 | 175.9 | -178.2 | 0 | 111.2 | ||||
| 57 | R | 37.2 | Very low | 39.1 | Very low | 237 Ų | 237 | 147.6 Ų | 147.6 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | trans | -68.6 | 152.9 | 173.7 | -66.6 | 172.4 | -170.9 | 152.8 | 2.7 | 110.5 | ||||
| 58 | P | 37.3 | Very low | 39.5 | Very low | 134 Ų | 134 | 145 Ų | 145 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -78.3 | 138.5 | 162 | 18.2 | -4.1 | 0 | 0 | 0 | 109.7 | ||||
| 59 | A | 37.4 | Very low | 40 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -117.8 | 148.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 60 | P | 45 | Very low | 41 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -90.1 | 156.3 | -158.7 | 35.7 | -32.9 | 0 | 0 | 0 | 114 | ||||
| 61 | D | 40.9 | Very low | 42.2 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | 33.6 | 119.2 | 150.2 | -58.7 | -20.3 | 0 | 0 | 0 | 120.6 | ||||
| 62 | F | 34.1 | Very low | 43.8 | Very low | 219 Ų | 219 | 139 Ų | 139 | 96% | 0.961 | 78% | 0.775 | S | S | * | * | trans | -129.3 | 109.2 | 134 | -119 | -93.2 | 0 | 0 | 0 | 107.3 | ||||
| 63 | D | 41.3 | Very low | 45.3 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -74.1 | 161.7 | 167.2 | -166 | 13.2 | 0 | 0 | 0 | 109.5 | ||||
| 64 | E | 37.1 | Very low | 47.3 | Very low | 184 Ų | 184 | 132.4 Ų | 132.4 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | 97.7 | 120 | 155.1 | -148.1 | 158.8 | -155.3 | 0 | 0 | 118.4 | ||||
| 65 | G | 34.2 | Very low | 49.5 | Very low | 67 Ų | 67 | 132.4 Ų | 132.4 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | trans | 115.7 | 89.3 | 141.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 66 | T | 46.7 | Very low | 51.5 | Low | 147 Ų | 147 | 124.5 Ų | 124.5 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | trans | 10.5 | 130.9 | 139.9 | -46.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 67 | A | 43 | Very low | 53.6 | Low | 90 Ų | 90 | 120 Ų | 120 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | trans | 98.2 | 117.7 | 168 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 68 | C | 43.6 | Very low | 56.1 | Low | 81 Ų | 81 | 113.7 Ų | 113.7 | 55% | 0.547 | 67% | 0.674 | S | S | . | * | -162.8 | 128.4 | 79.6 | -105.8 | 0 | 0 | 0 | 0 | 113 | M70 G71 | C68-M70 HydrophobicContact CB-CB 4.22Å; C68-M70 PolarHBondContact O-N 3.22Å; C68-G71 PolarHBondContact O-N 2.89Å | |||
| 69 | A | 51.4 | Low | 58.6 | Low | 90 Ų | 90 | 112.9 Ų | 112.9 | 74% | 0.744 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -57.6 | -22.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 70 | M | 54.4 | Low | 61.2 | Low | 133 Ų | 133 | 114.7 Ų | 114.7 | 66% | 0.655 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.1 | -29.3 | 176.8 | -78.5 | 162.6 | 63.5 | 0 | 0 | 114.6 | C68 E73 V74 | C68-M70 HydrophobicContact CB-CB 4.22Å; C68-M70 PolarHBondContact O-N 3.22Å; M70-E73 PolarHBondContact O-N 2.91Å; M70-V74 PolarHBondContact O-N 3.35Å |
| 71 | G | 61.7 | Low | 63.4 | Low | 43 Ų | 43 | 115.6 Ų | 115.6 | 44% | 0.443 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -69.2 | -34.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C68 E73 Q75 | C68-G71 PolarHBondContact O-N 2.89Å; G71-E73 VanDerWaalsContact C-N 3.35Å; G71-Q75 WeakPolarHBondContact O-CB 3.47Å; G71-Q75 PolarHBondContact O-N 3.33Å |
| 72 | N | 70.1 | Confident | 66 | Low | 126 Ų | 126 | 109.9 Ų | 109.9 | 67% | 0.674 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.7 | -31.7 | 176.6 | -67.7 | -16.7 | 0 | 0 | 0 | 112.2 | S76 | N72-S76 WeakPolarHBondContact O-CB 3.39Å; N72-S76 PolarHBondContact O-N 3Å |
| 73 | E | 72.4 | Confident | 68.8 | Low | 127 Ų | 127 | 101.5 Ų | 101.5 | 59% | 0.593 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.7 | -43.2 | 178.2 | -164.9 | 170.8 | -158 | 0 | 0 | 111.8 | M70 G71 S76 M77 | M70-E73 PolarHBondContact O-N 2.91Å; G71-E73 VanDerWaalsContact C-N 3.35Å; E73-S76 PolarHBondContact O-N 2.71Å; E73-M77 HydrophobicContact CG-CE 4.47Å; E73-M77 WeakPolarHBondContact O-CG 3.37Å; E73-M77 PolarHBondContact O-N 3.37Å |
| 74 | V | 80.9 | Confident | 71.4 | Confident | 79 Ų | 79 | 98.4 Ų | 98.4 | 48% | 0.479 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.8 | -43.9 | 172.5 | 175.6 | 0 | 0 | 0 | 0 | 111 | M70 S76 M77 L78 | M70-V74 PolarHBondContact O-N 3.35Å; V74-S76 PolarHBondContact O-N 3.39Å; V74-M77 HydrophobicContact CG2-CE 4.17Å; V74-M77 PolarHBondContact O-N 3.48Å; V74-L78 HydrophobicContact CG1-CD1 3.78Å; V74-L78 WeakPolarHBondContact O-CD1 3.48Å; V74-L78 PolarHBondContact O-N 3.49Å |
| 75 | Q | 83.6 | Confident | 74.2 | Confident | 102 Ų | 102 | 93.3 Ų | 93.3 | 48% | 0.477 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.1 | -45.9 | 174.7 | -179.5 | 62.4 | 22.1 | 0 | 0 | 112.1 | G71 M77 L78 E79 | G71-Q75 WeakPolarHBondContact O-CB 3.47Å; G71-Q75 PolarHBondContact O-N 3.33Å; Q75-M77 VanDerWaalsContact C-N 3.31Å; Q75-M77 PolarHBondContact O-N 3.2Å; Q75-L78 PolarHBondContact O-N 2.94Å; Q75-E79 PolarHBondContact NE2-OE1 3.38Å; Q75-E79 WeakPolarHBondContact O-CG 3.42Å; Q75-E79 PolarHBondContact O-N 3.05Å |
| 76 | S | 86.4 | Confident | 77.1 | Confident | 45 Ų | 45 | 93.5 Ų | 93.5 | 32% | 0.315 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 176.3 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | N72 E73 V74 E79 K80 | N72-S76 WeakPolarHBondContact O-CB 3.39Å; N72-S76 PolarHBondContact O-N 3Å; E73-S76 PolarHBondContact O-N 2.71Å; V74-S76 PolarHBondContact O-N 3.39Å; S76-E79 PolarHBondContact O-N 2.88Å; S76-K80 VanDerWaalsContact O-CG 3.3Å; S76-K80 WeakPolarHBondContact O-CG 3.45Å; S76-K80 PolarHBondContact O-N 2.94Å |
| 77 | M | 86.4 | Confident | 79.5 | Confident | 107 Ų | 107 | 92.8 Ų | 92.8 | 53% | 0.527 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 174.7 | -73.6 | -170.9 | -74.5 | 0 | 0 | 112.3 | E73 V74 Q75 K80 F81 | E73-M77 HydrophobicContact CG-CE 4.47Å; E73-M77 WeakPolarHBondContact O-CG 3.37Å; E73-M77 PolarHBondContact O-N 3.37Å; V74-M77 HydrophobicContact CG2-CE 4.17Å; V74-M77 PolarHBondContact O-N 3.48Å; Q75-M77 VanDerWaalsContact C-N 3.31Å; Q75-M77 PolarHBondContact O-N 3.2Å; M77-K80 PolarHBondContact O-N 2.94Å; M77-F81 WeakPolarHBondContact O-CB 3.5Å; M77-F81 PolarHBondContact O-N 3.13Å |
| 78 | L | 89.3 | Confident | 82.1 | Confident | 105 Ų | 105 | 92.1 Ų | 92.1 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 174.3 | -90.2 | 89.1 | 0 | 0 | 0 | 112.3 | V74 Q75 F81 G82 | V74-L78 HydrophobicContact CG1-CD1 3.78Å; V74-L78 WeakPolarHBondContact O-CD1 3.48Å; V74-L78 PolarHBondContact O-N 3.49Å; Q75-L78 PolarHBondContact O-N 2.94Å; L78-F81 PolarHBondContact O-N 2.87Å; L78-G82 PolarHBondContact O-N 3.15Å |
| 79 | E | 90.8 | Very high | 84.6 | Confident | 117 Ų | 117 | 93.3 Ų | 93.3 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.4 | -75.2 | 172.4 | -169.5 | 0 | 0 | 111.8 | Q75 S76 G82 A83 | Q75-E79 PolarHBondContact NE2-OE1 3.38Å; Q75-E79 WeakPolarHBondContact O-CG 3.42Å; Q75-E79 PolarHBondContact O-N 3.05Å; S76-E79 PolarHBondContact O-N 2.88Å; E79-G82 PolarHBondContact O-N 2.82Å; E79-A83 WeakPolarHBondContact O-CB 3.45Å; E79-A83 PolarHBondContact O-N 3.12Å |
| 80 | K | 91.3 | Very high | 86.8 | Confident | 132 Ų | 132 | 94.2 Ų | 94.2 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 173.2 | -73 | 172.7 | -173.5 | 175 | 0 | 111.5 | S76 M77 A83 D84 | S76-K80 VanDerWaalsContact O-CG 3.3Å; S76-K80 WeakPolarHBondContact O-CG 3.45Å; S76-K80 PolarHBondContact O-N 2.94Å; M77-K80 PolarHBondContact O-N 2.94Å; K80-A83 PolarHBondContact O-N 3.4Å; K80-D84 PolarHBondContact O-N 2.97Å |
| 81 | F | 92.5 | Very high | 88.9 | Confident | 138 Ų | 138 | 90.8 Ų | 90.8 | 61% | 0.605 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.6 | -43.4 | 176.8 | -176.8 | -107.7 | 0 | 0 | 0 | 112.4 | M77 L78 A83 D84 I85 | M77-F81 WeakPolarHBondContact O-CB 3.5Å; M77-F81 PolarHBondContact O-N 3.13Å; L78-F81 PolarHBondContact O-N 2.87Å; F81-A83 PolarHBondContact O-N 2.94Å; F81-D84 PolarHBondContact O-N 3.49Å; F81-I85 HydrophobicContact CD1-CD1 3.75Å; F81-I85 HydrophobicContact CE1-CD1 3.33Å; F81-I85 HydrophobicContact CE1-CG1 4.28Å; F81-I85 HydrophobicContact CE2-CD1 4.49Å; F81-I85 HydrophobicContact CZ-CD1 3.75Å; F81-I85 HydrophobicContact CZ-CG1 4.34Å; F81-I85 WeakPolarHBondContact O-CG1 3.35Å; F81-I85 PolarHBondContact O-N 3.43Å |
| 82 | G | 94 | Very high | 90.5 | Very high | 31 Ų | 31 | 95 Ų | 95 | 32% | 0.32 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L78 E79 S86 | L78-G82 PolarHBondContact O-N 3.15Å; E79-G82 PolarHBondContact O-N 2.82Å; G82-S86 WeakPolarHBondContact O-CB 3.41Å; G82-S86 PolarHBondContact O-N 2.97Å; G82-S86 PolarHBondContact O-OG 3.36Å |
| 83 | A | 94.6 | Very high | 91.9 | Very high | 43 Ų | 43 | 94.5 Ų | 94.5 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E79 K80 F81 S86 K87 | E79-A83 WeakPolarHBondContact O-CB 3.45Å; E79-A83 PolarHBondContact O-N 3.12Å; K80-A83 PolarHBondContact O-N 3.4Å; F81-A83 PolarHBondContact O-N 2.94Å; A83-S86 PolarHBondContact O-N 2.92Å; A83-K87 VanDerWaalsContact O-CG 3.29Å; A83-K87 WeakPolarHBondContact O-CG 3.48Å; A83-K87 PolarHBondContact O-N 2.9Å |
| 84 | D | 95.1 | Very high | 93.1 | Very high | 79 Ų | 79 | 95.2 Ų | 95.2 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.3 | -39.8 | 178.3 | -71.1 | -18.6 | 0 | 0 | 0 | 112.4 | K80 F81 S86 K87 V88 | K80-D84 PolarHBondContact O-N 2.97Å; F81-D84 PolarHBondContact O-N 3.49Å; D84-S86 VanDerWaalsContact C-N 3.31Å; D84-S86 PolarHBondContact O-N 3.44Å; D84-K87 PolarHBondContact O-N 3.45Å; D84-K87 IonicContact OD1-NZ 2.87Å; D84-K87 PolarHBondContact OD1-NZ 2.74Å; D84-V88 VanDerWaalsContact O-CG2 3.32Å; D84-V88 WeakPolarHBondContact O-CG2 3.45Å; D84-V88 PolarHBondContact O-N 3.22Å |
| 85 | I | 95.2 | Very high | 93.9 | Very high | 77 Ų | 77 | 100.7 Ų | 100.7 | 40% | 0.395 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 168.8 | -70.2 | 170.9 | 0 | 0 | 0 | 110.2 | F81 K87 V88 M89 | F81-I85 HydrophobicContact CD1-CD1 3.75Å; F81-I85 HydrophobicContact CE1-CD1 3.33Å; F81-I85 HydrophobicContact CE1-CG1 4.28Å; F81-I85 HydrophobicContact CE2-CD1 4.49Å; F81-I85 HydrophobicContact CZ-CD1 3.75Å; F81-I85 HydrophobicContact CZ-CG1 4.34Å; F81-I85 WeakPolarHBondContact O-CG1 3.35Å; F81-I85 PolarHBondContact O-N 3.43Å; I85-K87 PolarHBondContact O-N 3.22Å; I85-V88 PolarHBondContact O-N 3.06Å; I85-M89 HydrophobicContact CG2-CG 4.24Å; I85-M89 WeakPolarHBondContact O-CB 3.33Å; I85-M89 VanDerWaalsContact O-CG 3.32Å; I85-M89 WeakPolarHBondContact O-CG 3.4Å; I85-M89 PolarHBondContact O-N 3.18Å |
| 86 | S | 96 | Very high | 94.5 | Very high | 71 Ų | 71 | 101.1 Ų | 101.1 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | -179.6 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | G82 A83 D84 M89 Q90 | G82-S86 WeakPolarHBondContact O-CB 3.41Å; G82-S86 PolarHBondContact O-N 2.97Å; G82-S86 PolarHBondContact O-OG 3.36Å; A83-S86 PolarHBondContact O-N 2.92Å; D84-S86 VanDerWaalsContact C-N 3.31Å; D84-S86 PolarHBondContact O-N 3.44Å; S86-M89 PolarHBondContact O-N 3.36Å; S86-Q90 WeakPolarHBondContact O-CB 3.48Å; S86-Q90 VanDerWaalsContact O-CG 3.29Å; S86-Q90 WeakPolarHBondContact O-CG 3.38Å; S86-Q90 PolarHBondContact O-N 2.96Å |
| 87 | K | 97 | Very high | 95.1 | Very high | 132 Ų | 132 | 104 Ų | 104 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.1 | -46.8 | 174.1 | -72.3 | 170.5 | -162.1 | 157.5 | 0 | 111.6 | A83 D84 I85 M89 Q90 A91 | A83-K87 VanDerWaalsContact O-CG 3.29Å; A83-K87 WeakPolarHBondContact O-CG 3.48Å; A83-K87 PolarHBondContact O-N 2.9Å; D84-K87 PolarHBondContact O-N 3.45Å; D84-K87 IonicContact OD1-NZ 2.87Å; D84-K87 PolarHBondContact OD1-NZ 2.74Å; I85-K87 PolarHBondContact O-N 3.22Å; K87-M89 VanDerWaalsContact C-N 3.33Å; K87-M89 PolarHBondContact O-N 3.41Å; K87-Q90 PolarHBondContact O-N 3.06Å; K87-A91 WeakPolarHBondContact O-CB 3.43Å; K87-A91 PolarHBondContact O-N 2.97Å |
| 88 | V | 97.1 | Very high | 95.6 | Very high | 77 Ų | 77 | 102.1 Ų | 102.1 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 178.1 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | D84 I85 A91 K92 | D84-V88 VanDerWaalsContact O-CG2 3.32Å; D84-V88 WeakPolarHBondContact O-CG2 3.45Å; D84-V88 PolarHBondContact O-N 3.22Å; I85-V88 PolarHBondContact O-N 3.06Å; V88-A91 PolarHBondContact O-N 2.93Å; V88-K92 WeakPolarHBondContact O-CG 3.47Å; V88-K92 PolarHBondContact O-N 3.32Å |
| 89 | M | 96.9 | Very high | 96 | Very high | 106 Ų | 106 | 101.9 Ų | 101.9 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 176.9 | -72.7 | -60.6 | 155 | 0 | 0 | 112.2 | I85 S86 K87 A91 K92 K93 | I85-M89 HydrophobicContact CG2-CG 4.24Å; I85-M89 WeakPolarHBondContact O-CB 3.33Å; I85-M89 VanDerWaalsContact O-CG 3.32Å; I85-M89 WeakPolarHBondContact O-CG 3.4Å; I85-M89 PolarHBondContact O-N 3.18Å; S86-M89 PolarHBondContact O-N 3.36Å; K87-M89 VanDerWaalsContact C-N 3.33Å; K87-M89 PolarHBondContact O-N 3.41Å; M89-A91 VanDerWaalsContact C-N 3.33Å; M89-A91 PolarHBondContact O-N 3.3Å; M89-K92 PolarHBondContact O-N 3.42Å; M89-K93 WeakPolarHBondContact O-CB 3.48Å; M89-K93 PolarHBondContact O-N 3.37Å |
| 90 | Q | 97.3 | Very high | 96.3 | Very high | 109 Ų | 109 | 99.8 Ų | 99.8 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | 174.9 | -70.4 | -66.1 | -13.7 | 0 | 0 | 112.1 | S86 K87 K93 K94 | S86-Q90 WeakPolarHBondContact O-CB 3.48Å; S86-Q90 VanDerWaalsContact O-CG 3.29Å; S86-Q90 WeakPolarHBondContact O-CG 3.38Å; S86-Q90 PolarHBondContact O-N 2.96Å; K87-Q90 PolarHBondContact O-N 3.06Å; Q90-K93 PolarHBondContact O-N 2.89Å; Q90-K94 WeakPolarHBondContact O-CG 3.47Å; Q90-K94 PolarHBondContact O-N 3.48Å |
| 91 | A | 97.3 | Very high | 96.6 | Very high | 60 Ų | 60 | 100.9 Ų | 100.9 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K87 V88 M89 K94 R95 | K87-A91 WeakPolarHBondContact O-CB 3.43Å; K87-A91 PolarHBondContact O-N 2.97Å; V88-A91 PolarHBondContact O-N 2.93Å; M89-A91 VanDerWaalsContact C-N 3.33Å; M89-A91 PolarHBondContact O-N 3.3Å; A91-K94 PolarHBondContact O-N 3.47Å; A91-R95 WeakPolarHBondContact O-CB 3.41Å; A91-R95 PolarHBondContact O-N 3.3Å |
| 92 | K | 97.1 | Very high | 96.8 | Very high | 131 Ų | 131 | 99.2 Ų | 99.2 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 174.2 | -77.8 | -173.6 | 176.6 | -174.1 | 0 | 111.8 | V88 M89 R95 L96 | V88-K92 WeakPolarHBondContact O-CG 3.47Å; V88-K92 PolarHBondContact O-N 3.32Å; M89-K92 PolarHBondContact O-N 3.42Å; K92-R95 PolarHBondContact O-N 2.98Å; K92-L96 PolarHBondContact O-N 3.37Å |
| 93 | K | 97.7 | Very high | 97 | Very high | 116 Ų | 116 | 106 Ų | 106 | 50% | 0.504 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.2 | -54.3 | 175.4 | -178.3 | 179.8 | 175.6 | 178.9 | 0 | 111.3 | M89 Q90 R95 L96 E97 | M89-K93 WeakPolarHBondContact O-CB 3.48Å; M89-K93 PolarHBondContact O-N 3.37Å; Q90-K93 PolarHBondContact O-N 2.89Å; K93-R95 VanDerWaalsContact C-N 3.28Å; K93-R95 PolarHBondContact O-N 2.88Å; K93-L96 PolarHBondContact O-N 2.86Å; K93-L96 VanDerWaalsContact O-N 3.11Å; K93-E97 WeakPolarHBondContact CE-OE1 3.49Å; K93-E97 WeakPolarHBondContact O-CG 3.43Å; K93-E97 PolarHBondContact O-N 3.39Å |
| 94 | K | 97.9 | Very high | 97.1 | Very high | 142 Ų | 142 | 109.4 Ų | 109.4 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -57.7 | -40.1 | 177.3 | -75.1 | -177.2 | -179.5 | -178 | 0 | 112.4 | Q90 A91 C98 | Q90-K94 WeakPolarHBondContact O-CG 3.47Å; Q90-K94 PolarHBondContact O-N 3.48Å; A91-K94 PolarHBondContact O-N 3.47Å; K94-C98 WeakPolarHBondContact O-CB 3.43Å; K94-C98 PolarHBondContact O-N 2.96Å |
| 95 | R | 97.6 | Very high | 97.2 | Very high | 194 Ų | 194 | 113 Ų | 113 | 73% | 0.732 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.3 | -43.5 | 176.6 | -175.1 | 178.1 | 121.1 | 135.4 | 0.6 | 111.6 | A91 K92 K93 C98 L99 | A91-R95 WeakPolarHBondContact O-CB 3.41Å; A91-R95 PolarHBondContact O-N 3.3Å; K92-R95 PolarHBondContact O-N 2.98Å; K93-R95 VanDerWaalsContact C-N 3.28Å; K93-R95 PolarHBondContact O-N 2.88Å; R95-C98 PolarHBondContact O-N 3.12Å; R95-L99 WeakPolarHBondContact O-CB 3.45Å; R95-L99 PolarHBondContact O-N 3.45Å |
| 96 | L | 97.8 | Very high | 97.3 | Very high | 112 Ų | 112 | 111 Ų | 111 | 59% | 0.586 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.5 | -45.5 | 178 | -173.3 | 65.3 | 0 | 0 | 0 | 111.4 | K92 K93 C98 L99 T100 | K92-L96 PolarHBondContact O-N 3.37Å; K93-L96 PolarHBondContact O-N 2.86Å; K93-L96 VanDerWaalsContact O-N 3.11Å; L96-C98 VanDerWaalsContact C-N 3.33Å; L96-C98 PolarHBondContact O-N 3.34Å; L96-L99 PolarHBondContact O-N 3.35Å; L96-T100 PolarHBondContact O-N 3.24Å; L96-T100 PolarHBondContact O-OG1 3.05Å; L96-T100 VanDerWaalsContact O-OG1 3.11Å |
| 97 | E | 97.5 | Very high | 97.3 | Very high | 105 Ų | 105 | 110.5 Ų | 110.5 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.5 | -45.2 | 175.3 | -71.4 | 170.1 | 175.5 | 0 | 0 | 111.8 | K93 K101 | K93-E97 WeakPolarHBondContact CE-OE1 3.49Å; K93-E97 WeakPolarHBondContact O-CG 3.43Å; K93-E97 PolarHBondContact O-N 3.39Å; E97-K101 VanDerWaalsContact O-CB 3.27Å; E97-K101 WeakPolarHBondContact O-CB 3.31Å; E97-K101 PolarHBondContact O-N 3.42Å |
| 98 | C | 97.4 | Very high | 97.4 | Very high | 68 Ų | 68 | 109.7 Ų | 109.7 | 46% | 0.459 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 176.9 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | K94 R95 L96 K101 N102 | K94-C98 WeakPolarHBondContact O-CB 3.43Å; K94-C98 PolarHBondContact O-N 2.96Å; R95-C98 PolarHBondContact O-N 3.12Å; L96-C98 VanDerWaalsContact C-N 3.33Å; L96-C98 PolarHBondContact O-N 3.34Å; C98-K101 PolarHBondContact O-N 3.05Å; C98-N102 WeakPolarHBondContact O-CB 3.47Å; C98-N102 PolarHBondContact O-N 2.95Å; C98-N102 PolarHBondContact O-ND2 2.93Å |
| 99 | L | 97.1 | Very high | 97.4 | Very high | 100 Ų | 100 | 110.8 Ų | 110.8 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 178.1 | -176 | 143.1 | 0 | 0 | 0 | 111.5 | R95 L96 K101 N102 Y103 | R95-L99 WeakPolarHBondContact O-CB 3.45Å; R95-L99 PolarHBondContact O-N 3.45Å; L96-L99 PolarHBondContact O-N 3.35Å; L99-K101 PolarHBondContact O-N 2.93Å; L99-N102 PolarHBondContact O-N 2.89Å; L99-Y103 WeakPolarHBondContact O-CB 3.41Å; L99-Y103 PolarHBondContact O-N 3.42Å |
| 100 | T | 97.7 | Very high | 97.5 | Very high | 72 Ų | 72 | 112.6 Ų | 112.6 | 44% | 0.442 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 177 | -60.1 | 0 | 0 | 0 | 0 | 111 | L96 N102 Y103 M104 | L96-T100 PolarHBondContact O-N 3.24Å; L96-T100 PolarHBondContact O-OG1 3.05Å; L96-T100 VanDerWaalsContact O-OG1 3.11Å; T100-N102 PolarHBondContact O-N 3.25Å; T100-Y103 PolarHBondContact O-N 3.46Å; T100-M104 HydrophobicContact CG2-CG 4.2Å; T100-M104 WeakPolarHBondContact O-CB 3.5Å; T100-M104 VanDerWaalsContact O-CG 3.26Å; T100-M104 WeakPolarHBondContact O-CG 3.44Å; T100-M104 PolarHBondContact O-N 3.22Å |
| 101 | K | 97.6 | Very high | 97.5 | Very high | 156 Ų | 156 | 113.1 Ų | 113.1 | 68% | 0.678 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.8 | -44.8 | 178.4 | -176.6 | 176.3 | -179.4 | 175.9 | 0 | 112.2 | E97 C98 L99 M104 K105 | E97-K101 VanDerWaalsContact O-CB 3.27Å; E97-K101 WeakPolarHBondContact O-CB 3.31Å; E97-K101 PolarHBondContact O-N 3.42Å; C98-K101 PolarHBondContact O-N 3.05Å; L99-K101 PolarHBondContact O-N 2.93Å; K101-M104 PolarHBondContact O-N 2.9Å; K101-K105 WeakPolarHBondContact O-CB 3.2Å; K101-K105 PolarHBondContact O-N 3.33Å |
| 102 | N | 97.1 | Very high | 97.6 | Very high | 102 Ų | 102 | 114.7 Ų | 114.7 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 179.2 | -71.1 | -16.6 | 0 | 0 | 0 | 111.4 | C98 L99 T100 G106 | C98-N102 WeakPolarHBondContact O-CB 3.47Å; C98-N102 PolarHBondContact O-N 2.95Å; C98-N102 PolarHBondContact O-ND2 2.93Å; L99-N102 PolarHBondContact O-N 2.89Å; T100-N102 PolarHBondContact O-N 3.25Å; N102-G106 PolarHBondContact O-N 2.94Å; N102-G106 VanDerWaalsContact O-N 3.07Å |
| 103 | Y | 97 | Very high | 97.6 | Very high | 173 Ų | 173 | 113.6 Ų | 113.6 | 68% | 0.678 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.3 | -46.4 | 177.1 | -168.8 | -95.2 | 0 | 0 | 0 | 111.9 | L99 T100 K105 G106 S107 | L99-Y103 WeakPolarHBondContact O-CB 3.41Å; L99-Y103 PolarHBondContact O-N 3.42Å; T100-Y103 PolarHBondContact O-N 3.46Å; Y103-K105 PolarHBondContact O-N 2.98Å; Y103-G106 PolarHBondContact O-N 3.5Å; Y103-S107 WeakPolarHBondContact O-CB 3.32Å; Y103-S107 PolarHBondContact O-N 2.97Å |
| 104 | M | 97.1 | Very high | 97.7 | Very high | 116 Ų | 116 | 113.7 Ų | 113.7 | 57% | 0.571 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.5 | -43.9 | 177.7 | -71.8 | -56.8 | -66.4 | 0 | 0 | 111.8 | T100 K101 G106 S107 Q108 | T100-M104 HydrophobicContact CG2-CG 4.2Å; T100-M104 WeakPolarHBondContact O-CB 3.5Å; T100-M104 VanDerWaalsContact O-CG 3.26Å; T100-M104 WeakPolarHBondContact O-CG 3.44Å; T100-M104 PolarHBondContact O-N 3.22Å; K101-M104 PolarHBondContact O-N 2.9Å; M104-G106 VanDerWaalsContact C-N 3.34Å; M104-G106 PolarHBondContact O-N 3.35Å; M104-S107 PolarHBondContact O-N 3.27Å; M104-Q108 WeakPolarHBondContact O-CB 3.29Å; M104-Q108 PolarHBondContact O-N 2.91Å |
| 105 | K | 97.7 | Very high | 97.7 | Very high | 155 Ų | 155 | 115.3 Ų | 115.3 | 67% | 0.674 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61 | -42.4 | 176 | -172.2 | 178.6 | -179.7 | -177.5 | 0 | 112.1 | K101 Y103 H109 | K101-K105 WeakPolarHBondContact O-CB 3.2Å; K101-K105 PolarHBondContact O-N 3.33Å; Y103-K105 PolarHBondContact O-N 2.98Å; K105-H109 WeakPolarHBondContact O-CB 3.3Å; K105-H109 PolarHBondContact O-N 3.26Å |
| 106 | G | 97.1 | Very high | 97.7 | Very high | 34 Ų | 34 | 110.6 Ų | 110.6 | 35% | 0.351 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N102 Y103 M104 H109 K110 | N102-G106 PolarHBondContact O-N 2.94Å; N102-G106 VanDerWaalsContact O-N 3.07Å; Y103-G106 PolarHBondContact O-N 3.5Å; M104-G106 VanDerWaalsContact C-N 3.34Å; M104-G106 PolarHBondContact O-N 3.35Å; G106-H109 PolarHBondContact O-N 3.09Å; G106-K110 WeakPolarHBondContact O-CG 3.34Å; G106-K110 PolarHBondContact O-N 2.93Å; G106-K110 VanDerWaalsContact O-N 3.12Å |
| 107 | S | 97.4 | Very high | 97.8 | Very high | 61 Ų | 61 | 109.7 Ų | 109.7 | 43% | 0.427 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 177.1 | -169.2 | 0 | 0 | 0 | 0 | 111.9 | Y103 M104 H109 K110 L111 | Y103-S107 WeakPolarHBondContact O-CB 3.32Å; Y103-S107 PolarHBondContact O-N 2.97Å; M104-S107 PolarHBondContact O-N 3.27Å; S107-H109 VanDerWaalsContact C-N 3.33Å; S107-H109 PolarHBondContact O-N 3.41Å; S107-K110 PolarHBondContact O-N 3.4Å; S107-L111 PolarHBondContact O-N 3.48Å |
| 108 | Q | 98 | Very high | 97.8 | Very high | 115 Ų | 115 | 110.5 Ų | 110.5 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.8 | -47.1 | 174.9 | 179.6 | -179.3 | -13.9 | 0 | 0 | 111.2 | M104 K110 L111 E112 | M104-Q108 WeakPolarHBondContact O-CB 3.29Å; M104-Q108 PolarHBondContact O-N 2.91Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 2.96Å; Q108-L111 PolarHBondContact O-N 3.19Å; Q108-L111 VanDerWaalsContact O-N 3.12Å; Q108-E112 HydrophobicContact CG-CG 4.48Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.45Å; Q108-E112 PolarHBondContact NE2-OE1 3.46Å; Q108-E112 WeakPolarHBondContact O-CG 3.39Å; Q108-E112 PolarHBondContact O-N 3.42Å |
| 109 | H | 98.1 | Very high | 97.8 | Very high | 99 Ų | 99 | 112.3 Ų | 112.3 | 46% | 0.458 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 178.8 | -173.7 | 58.6 | 0 | 0 | 0 | 112.6 | K105 G106 S107 L111 E112 Q113 | K105-H109 WeakPolarHBondContact O-CB 3.3Å; K105-H109 PolarHBondContact O-N 3.26Å; G106-H109 PolarHBondContact O-N 3.09Å; S107-H109 VanDerWaalsContact C-N 3.33Å; S107-H109 PolarHBondContact O-N 3.41Å; H109-L111 VanDerWaalsContact C-N 3.34Å; H109-E112 PolarHBondContact O-N 3.05Å; H109-Q113 PolarHBondContact CD2-NE2 2.99Å; H109-Q113 PolarHBondContact NE2-NE2 3.46Å; H109-Q113 WeakPolarHBondContact O-CB 3.4Å; H109-Q113 VanDerWaalsContact O-CG 3.31Å; H109-Q113 WeakPolarHBondContact O-CG 3.48Å; H109-Q113 PolarHBondContact O-N 3.43Å |
| 110 | K | 98 | Very high | 97.9 | Very high | 144 Ų | 144 | 109.3 Ų | 109.3 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.1 | -41.4 | 174.9 | -72.3 | 175.6 | -179.2 | -178.5 | 0 | 111.7 | G106 S107 Q108 Q113 L114 | G106-K110 WeakPolarHBondContact O-CG 3.34Å; G106-K110 PolarHBondContact O-N 2.93Å; G106-K110 VanDerWaalsContact O-N 3.12Å; S107-K110 PolarHBondContact O-N 3.4Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 2.96Å; K110-Q113 PolarHBondContact O-N 3.02Å; K110-L114 WeakPolarHBondContact O-CG 3.44Å; K110-L114 PolarHBondContact O-N 3.27Å |
| 111 | L | 98.1 | Very high | 98 | Very high | 121 Ų | 121 | 111.2 Ų | 111.2 | 63% | 0.634 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.1 | -44.1 | 178.2 | -174.8 | 61.5 | 0 | 0 | 0 | 111.5 | S107 Q108 H109 Q113 L114 W115 | S107-L111 PolarHBondContact O-N 3.48Å; Q108-L111 PolarHBondContact O-N 3.19Å; Q108-L111 VanDerWaalsContact O-N 3.12Å; H109-L111 VanDerWaalsContact C-N 3.34Å; L111-Q113 PolarHBondContact O-N 3.48Å; L111-L114 PolarHBondContact O-N 3.43Å; L111-W115 WeakPolarHBondContact O-CB 3.47Å; L111-W115 PolarHBondContact O-N 3.5Å |
| 112 | E | 98.3 | Very high | 98 | Very high | 92 Ų | 92 | 110.1 Ų | 110.1 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 174.5 | -73.4 | 170.7 | -174.2 | 0 | 0 | 111.4 | Q108 H109 L114 W115 T116 | Q108-E112 HydrophobicContact CG-CG 4.48Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.45Å; Q108-E112 PolarHBondContact NE2-OE1 3.46Å; Q108-E112 WeakPolarHBondContact O-CG 3.39Å; Q108-E112 PolarHBondContact O-N 3.42Å; H109-E112 PolarHBondContact O-N 3.05Å; E112-L114 PolarHBondContact O-N 2.99Å; E112-W115 PolarHBondContact O-N 3.05Å; E112-T116 WeakPolarHBondContact O-CB 3.3Å; E112-T116 PolarHBondContact O-N 3.36Å; E112-T116 PolarHBondContact O-OG1 3.27Å; E112-T116 VanDerWaalsContact O-OG1 3.06Å |
| 113 | Q | 98.4 | Very high | 98.1 | Very high | 109 Ų | 109 | 110.9 Ų | 110.9 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 176.6 | -75.4 | -177.7 | -8.5 | 0 | 0 | 112.5 | H109 K110 L111 W115 T116 N117 | H109-Q113 PolarHBondContact CD2-NE2 2.99Å; H109-Q113 PolarHBondContact NE2-NE2 3.46Å; H109-Q113 WeakPolarHBondContact O-CB 3.4Å; H109-Q113 VanDerWaalsContact O-CG 3.31Å; H109-Q113 WeakPolarHBondContact O-CG 3.48Å; H109-Q113 PolarHBondContact O-N 3.43Å; K110-Q113 PolarHBondContact O-N 3.02Å; L111-Q113 PolarHBondContact O-N 3.48Å; Q113-W115 VanDerWaalsContact C-N 3.34Å; Q113-T116 PolarHBondContact O-N 3.35Å; Q113-N117 VanDerWaalsContact O-CB 3.31Å; Q113-N117 WeakPolarHBondContact O-CB 3.38Å; Q113-N117 PolarHBondContact O-N 3.35Å |
| 114 | L | 98.3 | Very high | 98.2 | Very high | 117 Ų | 117 | 108.8 Ų | 108.8 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.2 | -44.9 | 177 | -73.7 | 174.1 | 0 | 0 | 0 | 111.2 | K110 L111 E112 N117 Y118 | K110-L114 WeakPolarHBondContact O-CG 3.44Å; K110-L114 PolarHBondContact O-N 3.27Å; L111-L114 PolarHBondContact O-N 3.43Å; E112-L114 PolarHBondContact O-N 2.99Å; L114-N117 PolarHBondContact O-N 2.93Å; L114-Y118 WeakPolarHBondContact O-CB 3.46Å; L114-Y118 PolarHBondContact O-N 2.88Å |
| 115 | W | 98.3 | Very high | 98.2 | Very high | 177 Ų | 177 | 109.2 Ų | 109.2 | 67% | 0.67 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61 | -50.5 | 177.7 | 178.9 | -103.8 | 0 | 0 | 0 | 112.1 | L111 E112 Q113 N117 Y118 H119 | L111-W115 WeakPolarHBondContact O-CB 3.47Å; L111-W115 PolarHBondContact O-N 3.5Å; E112-W115 PolarHBondContact O-N 3.05Å; Q113-W115 VanDerWaalsContact C-N 3.34Å; W115-N117 VanDerWaalsContact C-N 3.35Å; W115-N117 PolarHBondContact O-N 2.95Å; W115-Y118 PolarHBondContact O-N 3.06Å; W115-H119 WeakPolarHBondContact O-CB 3.46Å; W115-H119 PolarHBondContact O-N 3.43Å |
| 116 | T | 98.6 | Very high | 98.3 | Very high | 95 Ų | 95 | 106 Ų | 106 | 58% | 0.583 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.5 | -42.2 | 178.7 | -61 | 0 | 0 | 0 | 0 | 111.7 | E112 Q113 G120 | E112-T116 WeakPolarHBondContact O-CB 3.3Å; E112-T116 PolarHBondContact O-N 3.36Å; E112-T116 PolarHBondContact O-OG1 3.27Å; E112-T116 VanDerWaalsContact O-OG1 3.06Å; Q113-T116 PolarHBondContact O-N 3.35Å; T116-G120 PolarHBondContact O-N 2.95Å |
| 117 | N | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 109.6 Ų | 109.6 | 49% | 0.492 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 177.1 | -178.9 | 33.3 | 0 | 0 | 0 | 111.3 | Q113 L114 W115 G120 Q121 | Q113-N117 VanDerWaalsContact O-CB 3.31Å; Q113-N117 WeakPolarHBondContact O-CB 3.38Å; Q113-N117 PolarHBondContact O-N 3.35Å; L114-N117 PolarHBondContact O-N 2.93Å; W115-N117 VanDerWaalsContact C-N 3.35Å; W115-N117 PolarHBondContact O-N 2.95Å; N117-G120 PolarHBondContact O-N 3.49Å; N117-Q121 PolarHBondContact ND2-NE2 3.44Å; N117-Q121 WeakPolarHBondContact O-CG 3.5Å; N117-Q121 PolarHBondContact O-N 3.43Å; N117-Q121 PolarHBondContact OD1-NE2 2.94Å |
| 118 | Y | 98.2 | Very high | 98.4 | Very high | 122 Ų | 122 | 111.4 Ų | 111.4 | 48% | 0.478 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 179.5 | -178.4 | -109.2 | 0 | 0 | 0 | 112.3 | L114 W115 G120 Q121 R122 | L114-Y118 WeakPolarHBondContact O-CB 3.46Å; L114-Y118 PolarHBondContact O-N 2.88Å; W115-Y118 PolarHBondContact O-N 3.06Å; Y118-G120 VanDerWaalsContact C-N 3.32Å; Y118-G120 PolarHBondContact O-N 3.25Å; Y118-Q121 PolarHBondContact O-N 2.98Å; Y118-R122 PolarHBondContact O-N 3.32Å; Y118-R122 PolarHBondContact OH-NH2 3.37Å |
| 119 | H | 98.4 | Very high | 98.4 | Very high | 107 Ų | 107 | 113.4 Ų | 113.4 | 50% | 0.495 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 176.8 | -174.4 | 75.4 | 0 | 0 | 0 | 111.7 | W115 R122 K123 | W115-H119 WeakPolarHBondContact O-CB 3.46Å; W115-H119 PolarHBondContact O-N 3.43Å; H119-R122 PolarHBondContact O-N 2.95Å; H119-K123 WeakPolarHBondContact O-CB 3.36Å; H119-K123 PolarHBondContact O-N 3.48Å |
| 120 | G | 98.7 | Very high | 98.5 | Very high | 37 Ų | 37 | 114.8 Ų | 114.8 | 38% | 0.381 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T116 N117 Y118 K123 K124 | T116-G120 PolarHBondContact O-N 2.95Å; N117-G120 PolarHBondContact O-N 3.49Å; Y118-G120 VanDerWaalsContact C-N 3.32Å; Y118-G120 PolarHBondContact O-N 3.25Å; G120-K123 PolarHBondContact O-N 3.47Å; G120-K124 WeakPolarHBondContact O-CB 3.42Å; G120-K124 PolarHBondContact O-N 3.46Å |
| 121 | Q | 98.5 | Very high | 98.5 | Very high | 111 Ų | 111 | 114.2 Ų | 114.2 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 176.2 | -71.5 | 178.4 | 30.7 | 0 | 0 | 111.8 | N117 Y118 K123 K124 M125 | N117-Q121 PolarHBondContact ND2-NE2 3.44Å; N117-Q121 WeakPolarHBondContact O-CG 3.5Å; N117-Q121 PolarHBondContact O-N 3.43Å; N117-Q121 PolarHBondContact OD1-NE2 2.94Å; Y118-Q121 PolarHBondContact O-N 2.98Å; Q121-K123 PolarHBondContact O-N 3.29Å; Q121-K124 PolarHBondContact O-N 3.28Å; Q121-M125 PolarHBondContact O-N 3.46Å |
| 122 | R | 98.5 | Very high | 98.5 | Very high | 133 Ų | 133 | 114.6 Ų | 114.6 | 50% | 0.502 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 177.2 | -173 | -179.3 | -73.3 | -170 | -9.9 | 111.1 | Y118 H119 K124 M125 T126 | Y118-R122 PolarHBondContact O-N 3.32Å; Y118-R122 PolarHBondContact OH-NH2 3.37Å; H119-R122 PolarHBondContact O-N 2.95Å; R122-K124 VanDerWaalsContact C-N 3.35Å; R122-K124 PolarHBondContact O-N 3.01Å; R122-M125 PolarHBondContact O-N 2.94Å; R122-T126 PolarHBondContact O-N 2.97Å; R122-T126 PolarHBondContact O-OG1 2.82Å; R122-T126 VanDerWaalsContact O-OG1 3.07Å |
| 123 | K | 98.7 | Very high | 98.6 | Very high | 119 Ų | 119 | 112.8 Ų | 112.8 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 176.8 | -175.5 | 177.1 | -178.5 | 177.5 | 0 | 111.8 | H119 G120 Q121 T126 Q127 | H119-K123 WeakPolarHBondContact O-CB 3.36Å; H119-K123 PolarHBondContact O-N 3.48Å; G120-K123 PolarHBondContact O-N 3.47Å; Q121-K123 PolarHBondContact O-N 3.29Å; K123-T126 PolarHBondContact O-N 2.95Å; K123-Q127 HydrophobicContact CG-CG 4.5Å; K123-Q127 WeakPolarHBondContact O-CB 3.44Å; K123-Q127 VanDerWaalsContact O-CG 3.27Å; K123-Q127 WeakPolarHBondContact O-CG 3.45Å; K123-Q127 PolarHBondContact O-N 2.7Å |
| 124 | K | 98.7 | Very high | 98.6 | Very high | 128 Ų | 128 | 110.2 Ų | 110.2 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61 | -47 | 178.4 | -176.4 | -179.9 | 178.7 | -178 | 0 | 111.6 | G120 Q121 R122 Q127 Q128 | G120-K124 WeakPolarHBondContact O-CB 3.42Å; G120-K124 PolarHBondContact O-N 3.46Å; Q121-K124 PolarHBondContact O-N 3.28Å; R122-K124 VanDerWaalsContact C-N 3.35Å; R122-K124 PolarHBondContact O-N 3.01Å; K124-Q127 PolarHBondContact O-N 3.2Å; K124-Q128 WeakPolarHBondContact O-CG 3.4Å; K124-Q128 PolarHBondContact O-N 3.06Å |
| 125 | M | 98.6 | Very high | 98.6 | Very high | 126 Ų | 126 | 107.8 Ų | 107.8 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.7 | -45.7 | 178.5 | -175.3 | 175.3 | 71.1 | 0 | 0 | 111.4 | Q121 R122 Q127 Q128 Y129 | Q121-M125 PolarHBondContact O-N 3.46Å; R122-M125 PolarHBondContact O-N 2.94Å; M125-Q127 PolarHBondContact O-N 3.13Å; M125-Q128 PolarHBondContact O-N 3.44Å; M125-Y129 PolarHBondContact O-N 2.94Å |
| 126 | T | 98.6 | Very high | 98.6 | Very high | 86 Ų | 86 | 102.1 Ų | 102.1 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | R122 K123 Y129 H130 | R122-T126 PolarHBondContact O-N 2.97Å; R122-T126 PolarHBondContact O-OG1 2.82Å; R122-T126 VanDerWaalsContact O-OG1 3.07Å; K123-T126 PolarHBondContact O-N 2.95Å; T126-Y129 PolarHBondContact O-N 3.32Å; T126-H130 VanDerWaalsContact O-CB 3.27Å; T126-H130 WeakPolarHBondContact O-CB 3.4Å; T126-H130 PolarHBondContact O-N 2.87Å |
| 127 | Q | 98.8 | Very high | 98.6 | Very high | 110 Ų | 110 | 102.3 Ų | 102.3 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 178.1 | -75.7 | 175.4 | -22.2 | 0 | 0 | 112.3 | K123 K124 M125 H130 Q131 | K123-Q127 HydrophobicContact CG-CG 4.5Å; K123-Q127 WeakPolarHBondContact O-CB 3.44Å; K123-Q127 VanDerWaalsContact O-CG 3.27Å; K123-Q127 WeakPolarHBondContact O-CG 3.45Å; K123-Q127 PolarHBondContact O-N 2.7Å; K124-Q127 PolarHBondContact O-N 3.2Å; M125-Q127 PolarHBondContact O-N 3.13Å; Q127-H130 PolarHBondContact O-N 3.27Å; Q127-Q131 WeakPolarHBondContact O-CB 3.43Å; Q127-Q131 PolarHBondContact O-N 3.14Å |
| 128 | Q | 98.7 | Very high | 98.6 | Very high | 99 Ų | 99 | 104 Ų | 104 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 177.1 | -73.3 | 176.9 | -30.6 | 0 | 0 | 111.6 | K124 M125 Q131 Q132 | K124-Q128 WeakPolarHBondContact O-CG 3.4Å; K124-Q128 PolarHBondContact O-N 3.06Å; M125-Q128 PolarHBondContact O-N 3.44Å; Q128-Q131 PolarHBondContact O-N 3.43Å; Q128-Q132 WeakPolarHBondContact O-CG 3.41Å; Q128-Q132 PolarHBondContact O-N 3.47Å; Q128-Q132 VanDerWaalsContact O-N 3.09Å |
| 129 | Y | 98.7 | Very high | 98.7 | Very high | 157 Ų | 157 | 103.7 Ų | 103.7 | 62% | 0.616 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 177.5 | -174.7 | -103.7 | 0 | 0 | 0 | 111.8 | M125 T126 Q131 Q132 V133 | M125-Y129 PolarHBondContact O-N 2.94Å; T126-Y129 PolarHBondContact O-N 3.32Å; Y129-Q131 VanDerWaalsContact C-N 3.29Å; Y129-Q131 PolarHBondContact O-N 3.33Å; Y129-Q132 WeakPolarHBondContact O-CB 3.42Å; Y129-Q132 PolarHBondContact O-N 3.02Å; Y129-Q132 VanDerWaalsContact O-N 3.14Å; Y129-V133 HydrophobicContact CD1-CG2 4.04Å; Y129-V133 HydrophobicContact CE1-CG2 3.59Å; Y129-V133 HydrophobicContact CE2-CG2 4.27Å; Y129-V133 WeakPolarHBondContact O-CG2 3.05Å; Y129-V133 PolarHBondContact O-N 3.49Å |
| 130 | H | 98.7 | Very high | 98.7 | Very high | 128 Ų | 128 | 107.2 Ų | 107.2 | 59% | 0.593 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -56.4 | -43.9 | 174.6 | 176.2 | 77.7 | 0 | 0 | 0 | 111.7 | T126 Q127 Q132 V133 S134 | T126-H130 VanDerWaalsContact O-CB 3.27Å; T126-H130 WeakPolarHBondContact O-CB 3.4Å; T126-H130 PolarHBondContact O-N 2.87Å; Q127-H130 PolarHBondContact O-N 3.27Å; H130-Q132 PolarHBondContact O-N 3.32Å; H130-V133 PolarHBondContact O-N 3.39Å; H130-S134 VanDerWaalsContact O-CB 3.31Å; H130-S134 WeakPolarHBondContact O-CB 3.44Å; H130-S134 PolarHBondContact O-N 3.38Å |
| 131 | Q | 98.8 | Very high | 98.7 | Very high | 132 Ų | 132 | 111.2 Ų | 111.2 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.4 | -40 | 177.4 | -172.2 | 175.1 | 7.9 | 0 | 0 | 112.3 | Q127 Q128 Y129 S135 | Q127-Q131 WeakPolarHBondContact O-CB 3.43Å; Q127-Q131 PolarHBondContact O-N 3.14Å; Q128-Q131 PolarHBondContact O-N 3.43Å; Y129-Q131 VanDerWaalsContact C-N 3.29Å; Y129-Q131 PolarHBondContact O-N 3.33Å; Q131-S135 WeakPolarHBondContact O-CB 3.39Å; Q131-S135 PolarHBondContact O-N 3.22Å; Q131-S135 PolarHBondContact O-OG 3.04Å |
| 132 | Q | 98.7 | Very high | 98.7 | Very high | 129 Ų | 129 | 109.1 Ų | 109.1 | 60% | 0.603 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.1 | -48.2 | 175.9 | -69.9 | 173.8 | 31 | 0 | 0 | 111.4 | Q128 Y129 H130 S134 S135 A136 | Q128-Q132 WeakPolarHBondContact O-CG 3.41Å; Q128-Q132 PolarHBondContact O-N 3.47Å; Q128-Q132 VanDerWaalsContact O-N 3.09Å; Y129-Q132 WeakPolarHBondContact O-CB 3.42Å; Y129-Q132 PolarHBondContact O-N 3.02Å; Y129-Q132 VanDerWaalsContact O-N 3.14Å; H130-Q132 PolarHBondContact O-N 3.32Å; Q132-S134 PolarHBondContact O-N 3.39Å; Q132-S135 PolarHBondContact O-N 2.89Å; Q132-A136 PolarHBondContact O-N 2.83Å |
| 133 | V | 98.7 | Very high | 98.7 | Very high | 54 Ų | 54 | 107.1 Ų | 107.1 | 33% | 0.327 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 177.9 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | Y129 H130 S135 A136 L137 | Y129-V133 HydrophobicContact CD1-CG2 4.04Å; Y129-V133 HydrophobicContact CE1-CG2 3.59Å; Y129-V133 HydrophobicContact CE2-CG2 4.27Å; Y129-V133 WeakPolarHBondContact O-CG2 3.05Å; Y129-V133 PolarHBondContact O-N 3.49Å; H130-V133 PolarHBondContact O-N 3.39Å; V133-S135 VanDerWaalsContact C-N 3.32Å; V133-S135 PolarHBondContact O-N 3.33Å; V133-A136 PolarHBondContact O-N 3.28Å; V133-L137 HydrophobicContact CG1-CD1 3.93Å; V133-L137 HydrophobicContact CG1-CG 4.31Å; V133-L137 WeakPolarHBondContact O-CG 3.42Å; V133-L137 PolarHBondContact O-N 3.03Å |
| 134 | S | 98.8 | Very high | 98.7 | Very high | 56 Ų | 56 | 103.8 Ų | 103.8 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 177.9 | 177.2 | 0 | 0 | 0 | 0 | 112 | H130 Q132 L137 Q138 | H130-S134 VanDerWaalsContact O-CB 3.31Å; H130-S134 WeakPolarHBondContact O-CB 3.44Å; H130-S134 PolarHBondContact O-N 3.38Å; Q132-S134 PolarHBondContact O-N 3.39Å; S134-L137 PolarHBondContact O-N 3.47Å; S134-Q138 WeakPolarHBondContact O-CB 3.46Å; S134-Q138 PolarHBondContact O-N 3.39Å |
| 135 | S | 98.8 | Very high | 98.7 | Very high | 65 Ų | 65 | 102.7 Ų | 102.7 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 177.4 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | Q131 Q132 V133 Q138 Q139 | Q131-S135 WeakPolarHBondContact O-CB 3.39Å; Q131-S135 PolarHBondContact O-N 3.22Å; Q131-S135 PolarHBondContact O-OG 3.04Å; Q132-S135 PolarHBondContact O-N 2.89Å; V133-S135 VanDerWaalsContact C-N 3.32Å; V133-S135 PolarHBondContact O-N 3.33Å; S135-Q138 PolarHBondContact O-N 2.92Å; S135-Q139 PolarHBondContact O-N 2.88Å |
| 136 | A | 98.8 | Very high | 98.7 | Very high | 59 Ų | 59 | 103.3 Ų | 103.3 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q132 V133 Q139 W140 | Q132-A136 PolarHBondContact O-N 2.83Å; V133-A136 PolarHBondContact O-N 3.28Å; A136-Q139 PolarHBondContact O-N 3.35Å; A136-W140 PolarHBondContact O-N 3.44Å |
| 137 | L | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 102 Ų | 102 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 176.7 | -71.4 | 174.2 | 0 | 0 | 0 | 111.8 | V133 S134 Q139 W140 E141 | V133-L137 HydrophobicContact CG1-CD1 3.93Å; V133-L137 HydrophobicContact CG1-CG 4.31Å; V133-L137 WeakPolarHBondContact O-CG 3.42Å; V133-L137 PolarHBondContact O-N 3.03Å; S134-L137 PolarHBondContact O-N 3.47Å; L137-Q139 VanDerWaalsContact C-N 3.33Å; L137-Q139 PolarHBondContact O-N 3.49Å; L137-W140 PolarHBondContact O-N 3.4Å; L137-E141 PolarHBondContact O-N 2.97Å |
| 138 | Q | 98.8 | Very high | 98.7 | Very high | 127 Ų | 127 | 102.6 Ų | 102.6 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | 176.9 | -173.1 | 179.1 | -2 | 0 | 0 | 111.6 | S134 S135 E141 V142 | S134-Q138 WeakPolarHBondContact O-CB 3.46Å; S134-Q138 PolarHBondContact O-N 3.39Å; S135-Q138 PolarHBondContact O-N 2.92Å; Q138-E141 PolarHBondContact O-N 3.31Å; Q138-V142 WeakPolarHBondContact O-CG2 3.43Å; Q138-V142 PolarHBondContact O-N 3.01Å; Q138-V142 VanDerWaalsContact O-N 3.1Å |
| 139 | Q | 98.7 | Very high | 98.7 | Very high | 117 Ų | 117 | 102.9 Ų | 102.9 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 175 | -177.8 | 177 | -11 | 0 | 0 | 111.4 | S135 A136 L137 E141 V142 E143 | S135-Q139 PolarHBondContact O-N 2.88Å; A136-Q139 PolarHBondContact O-N 3.35Å; L137-Q139 VanDerWaalsContact C-N 3.33Å; L137-Q139 PolarHBondContact O-N 3.49Å; Q139-E141 VanDerWaalsContact C-N 3.32Å; Q139-E141 PolarHBondContact O-N 3.47Å; Q139-V142 PolarHBondContact O-N 3.21Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.42Å; Q139-E143 PolarHBondContact NE2-OE1 3.26Å; Q139-E143 WeakPolarHBondContact O-CG 3.39Å; Q139-E143 PolarHBondContact O-N 2.92Å |
| 140 | W | 98.8 | Very high | 98.7 | Very high | 181 Ų | 181 | 100.4 Ų | 100.4 | 69% | 0.686 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.5 | -40.8 | 177.2 | -172.7 | 4.8 | 0 | 0 | 0 | 111.6 | A136 L137 V142 E143 A144 | A136-W140 PolarHBondContact O-N 3.44Å; L137-W140 PolarHBondContact O-N 3.4Å; W140-V142 PolarHBondContact O-N 3.26Å; W140-E143 PolarHBondContact O-N 2.88Å; W140-A144 WeakPolarHBondContact O-CB 3.49Å; W140-A144 PolarHBondContact O-N 3.24Å |
| 141 | E | 98.8 | Very high | 98.7 | Very high | 120 Ų | 120 | 100.2 Ų | 100.2 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.5 | -45 | 175.7 | -176.4 | 170.7 | -154.4 | 0 | 0 | 112.1 | L137 Q138 Q139 E143 A144 Q145 | L137-E141 PolarHBondContact O-N 2.97Å; Q138-E141 PolarHBondContact O-N 3.31Å; Q139-E141 VanDerWaalsContact C-N 3.32Å; Q139-E141 PolarHBondContact O-N 3.47Å; E141-E143 VanDerWaalsContact C-N 3.35Å; E141-E143 PolarHBondContact O-N 3.41Å; E141-A144 PolarHBondContact O-N 3.14Å; E141-Q145 WeakPolarHBondContact O-CG 3.36Å; E141-Q145 PolarHBondContact O-N 3.49Å |
| 142 | V | 98.7 | Very high | 98.7 | Very high | 67 Ų | 67 | 99.7 Ų | 99.7 | 41% | 0.406 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 175.7 | 172 | 0 | 0 | 0 | 0 | 111.5 | Q138 Q139 W140 Q145 R146 | Q138-V142 WeakPolarHBondContact O-CG2 3.43Å; Q138-V142 PolarHBondContact O-N 3.01Å; Q138-V142 VanDerWaalsContact O-N 3.1Å; Q139-V142 PolarHBondContact O-N 3.21Å; W140-V142 PolarHBondContact O-N 3.26Å; V142-Q145 PolarHBondContact O-N 2.92Å; V142-R146 WeakPolarHBondContact O-CB 3.42Å; V142-R146 PolarHBondContact O-N 3.29Å |
| 143 | E | 98.6 | Very high | 98.7 | Very high | 91 Ų | 91 | 98.9 Ų | 98.9 | 43% | 0.425 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 177.4 | -73.2 | 176 | -170 | 0 | 0 | 112 | Q139 W140 E141 R146 A147 | Q139-E143 WeakPolarHBondContact CG-OE1 3.42Å; Q139-E143 PolarHBondContact NE2-OE1 3.26Å; Q139-E143 WeakPolarHBondContact O-CG 3.39Å; Q139-E143 PolarHBondContact O-N 2.92Å; W140-E143 PolarHBondContact O-N 2.88Å; E141-E143 VanDerWaalsContact C-N 3.35Å; E141-E143 PolarHBondContact O-N 3.41Å; E143-R146 PolarHBondContact O-N 3.12Å; E143-A147 WeakPolarHBondContact O-CB 3.35Å; E143-A147 PolarHBondContact O-N 3.25Å |
| 144 | A | 98.6 | Very high | 98.7 | Very high | 50 Ų | 50 | 101.8 Ų | 101.8 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | W140 E141 R146 A147 E148 | W140-A144 WeakPolarHBondContact O-CB 3.49Å; W140-A144 PolarHBondContact O-N 3.24Å; E141-A144 PolarHBondContact O-N 3.14Å; A144-R146 PolarHBondContact O-N 3.5Å; A144-A147 WeakPolarHBondContact O-CB 3.48Å; A144-A147 PolarHBondContact O-N 3.1Å; A144-E148 PolarHBondContact O-N 3.22Å; A144-E148 VanDerWaalsContact O-N 3.09Å |
| 145 | Q | 98.7 | Very high | 98.7 | Very high | 104 Ų | 104 | 102.8 Ų | 102.8 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 174.5 | -71.4 | 174.3 | 4.1 | 0 | 0 | 111.4 | E141 V142 A147 E148 E149 | E141-Q145 WeakPolarHBondContact O-CG 3.36Å; E141-Q145 PolarHBondContact O-N 3.49Å; V142-Q145 PolarHBondContact O-N 2.92Å; Q145-A147 VanDerWaalsContact C-N 3.3Å; Q145-A147 PolarHBondContact O-N 3.49Å; Q145-E148 WeakPolarHBondContact O-CB 3.48Å; Q145-E148 PolarHBondContact O-N 2.93Å; Q145-E149 PolarHBondContact O-N 2.97Å; Q145-E149 VanDerWaalsContact O-N 3.1Å |
| 146 | R | 98.8 | Very high | 98.7 | Very high | 140 Ų | 140 | 102.7 Ų | 102.7 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 175.8 | -174.3 | -174.6 | -66.4 | 148.3 | 0.6 | 111.8 | V142 E143 A144 E148 E149 Q150 | V142-R146 WeakPolarHBondContact O-CB 3.42Å; V142-R146 PolarHBondContact O-N 3.29Å; E143-R146 PolarHBondContact O-N 3.12Å; A144-R146 PolarHBondContact O-N 3.5Å; R146-E148 VanDerWaalsContact C-N 3.34Å; R146-E149 PolarHBondContact O-N 3.38Å; R146-Q150 WeakPolarHBondContact O-CG 3.35Å; R146-Q150 PolarHBondContact O-N 3.36Å; R146-Q150 VanDerWaalsContact O-N 3.12Å |
| 147 | A | 98.6 | Very high | 98.7 | Very high | 59 Ų | 59 | 104.9 Ų | 104.9 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E143 A144 Q145 Q150 E151 | E143-A147 WeakPolarHBondContact O-CB 3.35Å; E143-A147 PolarHBondContact O-N 3.25Å; A144-A147 WeakPolarHBondContact O-CB 3.48Å; A144-A147 PolarHBondContact O-N 3.1Å; Q145-A147 VanDerWaalsContact C-N 3.3Å; Q145-A147 PolarHBondContact O-N 3.49Å; A147-Q150 PolarHBondContact O-N 2.86Å; A147-E151 PolarHBondContact O-N 3.46Å |
| 148 | E | 98.6 | Very high | 98.7 | Very high | 122 Ų | 122 | 107.2 Ų | 107.2 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.1 | -44.8 | 175.8 | -173.8 | 169.7 | -164.2 | 0 | 0 | 111.9 | A144 Q145 R146 Q150 E151 E152 | A144-E148 PolarHBondContact O-N 3.22Å; A144-E148 VanDerWaalsContact O-N 3.09Å; Q145-E148 WeakPolarHBondContact O-CB 3.48Å; Q145-E148 PolarHBondContact O-N 2.93Å; R146-E148 VanDerWaalsContact C-N 3.34Å; E148-Q150 VanDerWaalsContact C-N 3.31Å; E148-Q150 PolarHBondContact O-N 2.93Å; E148-E151 WeakPolarHBondContact O-CB 3.48Å; E148-E151 PolarHBondContact O-N 2.95Å; E148-E152 PolarHBondContact O-N 3.43Å |
| 149 | E | 98.6 | Very high | 98.6 | Very high | 105 Ų | 105 | 108.8 Ų | 108.8 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 175.6 | -68.9 | 179 | -174.2 | 0 | 0 | 113 | Q145 R146 K153 | Q145-E149 PolarHBondContact O-N 2.97Å; Q145-E149 VanDerWaalsContact O-N 3.1Å; R146-E149 PolarHBondContact O-N 3.38Å; E149-K153 WeakPolarHBondContact O-CG 3.32Å; E149-K153 PolarHBondContact O-N 2.92Å; E149-K153 VanDerWaalsContact O-N 3.14Å |
| 150 | Q | 98.5 | Very high | 98.6 | Very high | 104 Ų | 104 | 109 Ų | 109 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.3 | -38.3 | 177.8 | -65.8 | -60 | -32.7 | 0 | 0 | 111.6 | R146 A147 E148 E152 K153 L154 | R146-Q150 WeakPolarHBondContact O-CG 3.35Å; R146-Q150 PolarHBondContact O-N 3.36Å; R146-Q150 VanDerWaalsContact O-N 3.12Å; A147-Q150 PolarHBondContact O-N 2.86Å; E148-Q150 VanDerWaalsContact C-N 3.31Å; E148-Q150 PolarHBondContact O-N 2.93Å; Q150-E152 VanDerWaalsContact C-N 3.33Å; Q150-E152 PolarHBondContact O-N 3.22Å; Q150-K153 PolarHBondContact O-N 3.48Å; Q150-L154 WeakPolarHBondContact O-CB 3.47Å; Q150-L154 PolarHBondContact O-N 3.38Å |
| 151 | E | 98.6 | Very high | 98.6 | Very high | 124 Ų | 124 | 105.5 Ų | 105.5 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -44.5 | 173.3 | -172 | -172.1 | 159.3 | 0 | 0 | 110.9 | A147 E148 K153 L154 N155 | A147-E151 PolarHBondContact O-N 3.46Å; E148-E151 WeakPolarHBondContact O-CB 3.48Å; E148-E151 PolarHBondContact O-N 2.95Å; E151-K153 PolarHBondContact O-N 3.22Å; E151-L154 PolarHBondContact O-N 3.1Å; E151-N155 WeakPolarHBondContact O-CB 3.4Å; E151-N155 PolarHBondContact O-N 3.31Å |
| 152 | E | 98.7 | Very high | 98.6 | Very high | 122 Ų | 122 | 104.7 Ų | 104.7 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -44.6 | 178.4 | -168 | -175.6 | 172.7 | 0 | 0 | 111.8 | E148 Q150 L154 N155 N156 | E148-E152 PolarHBondContact O-N 3.43Å; Q150-E152 VanDerWaalsContact C-N 3.33Å; Q150-E152 PolarHBondContact O-N 3.22Å; E152-L154 VanDerWaalsContact C-N 3.34Å; E152-L154 PolarHBondContact O-N 3.43Å; E152-N155 PolarHBondContact O-N 3.25Å; E152-N156 WeakPolarHBondContact O-CB 3.34Å; E152-N156 PolarHBondContact O-N 3.09Å; E152-N156 PolarHBondContact O-ND2 2.87Å |
| 153 | K | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 108.6 Ų | 108.6 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 175.1 | -73.3 | 170 | -171.6 | 165.7 | 0 | 111.5 | E149 Q150 E151 N156 L157 | E149-K153 WeakPolarHBondContact O-CG 3.32Å; E149-K153 PolarHBondContact O-N 2.92Å; E149-K153 VanDerWaalsContact O-N 3.14Å; Q150-K153 PolarHBondContact O-N 3.48Å; E151-K153 PolarHBondContact O-N 3.22Å; K153-N156 PolarHBondContact O-N 3.38Å; K153-L157 WeakPolarHBondContact O-CG 3.48Å; K153-L157 PolarHBondContact O-N 3.4Å |
| 154 | L | 98.6 | Very high | 98.6 | Very high | 116 Ų | 116 | 108.1 Ų | 108.1 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.8 | -43.6 | 178.1 | -176.8 | 62.8 | 0 | 0 | 0 | 111.5 | Q150 E151 E152 N156 L157 F158 | Q150-L154 WeakPolarHBondContact O-CB 3.47Å; Q150-L154 PolarHBondContact O-N 3.38Å; E151-L154 PolarHBondContact O-N 3.1Å; E152-L154 VanDerWaalsContact C-N 3.34Å; E152-L154 PolarHBondContact O-N 3.43Å; L154-N156 VanDerWaalsContact C-N 3.3Å; L154-N156 PolarHBondContact O-N 2.99Å; L154-L157 PolarHBondContact O-N 2.75Å; L154-F158 WeakPolarHBondContact O-CB 3.47Å; L154-F158 PolarHBondContact O-N 3.4Å |
| 155 | N | 98.7 | Very high | 98.6 | Very high | 76 Ų | 76 | 110.7 Ų | 110.7 | 41% | 0.406 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 175.6 | -106.2 | -46.5 | 0 | 0 | 0 | 111.8 | E151 E152 F158 R159 | E151-N155 WeakPolarHBondContact O-CB 3.4Å; E151-N155 PolarHBondContact O-N 3.31Å; E152-N155 PolarHBondContact O-N 3.25Å; N155-F158 PolarHBondContact O-N 3.38Å; N155-R159 WeakPolarHBondContact O-CB 3.48Å; N155-R159 VanDerWaalsContact O-CG 3.32Å; N155-R159 WeakPolarHBondContact O-CG 3.49Å; N155-R159 PolarHBondContact O-N 3.47Å |
| 156 | N | 98.7 | Very high | 98.6 | Very high | 63 Ų | 63 | 112 Ų | 112 | 34% | 0.337 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 177.2 | -74.7 | -31.4 | 0 | 0 | 0 | 112.1 | E152 K153 L154 F158 R159 Q160 | E152-N156 WeakPolarHBondContact O-CB 3.34Å; E152-N156 PolarHBondContact O-N 3.09Å; E152-N156 PolarHBondContact O-ND2 2.87Å; K153-N156 PolarHBondContact O-N 3.38Å; L154-N156 VanDerWaalsContact C-N 3.3Å; L154-N156 PolarHBondContact O-N 2.99Å; N156-F158 PolarHBondContact O-N 3Å; N156-R159 PolarHBondContact O-N 2.83Å; N156-Q160 WeakPolarHBondContact O-CG 3.41Å; N156-Q160 PolarHBondContact O-N 2.97Å |
| 157 | L | 98.7 | Very high | 98.6 | Very high | 106 Ų | 106 | 111.7 Ų | 111.7 | 56% | 0.555 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.8 | -43.9 | 173.5 | -73.1 | 171.3 | 0 | 0 | 0 | 111.7 | K153 L154 R159 Q160 Q161 | K153-L157 WeakPolarHBondContact O-CG 3.48Å; K153-L157 PolarHBondContact O-N 3.4Å; L154-L157 PolarHBondContact O-N 2.75Å; L157-R159 PolarHBondContact O-N 3.29Å; L157-Q160 PolarHBondContact O-N 2.95Å; L157-Q161 WeakPolarHBondContact O-CB 3.42Å; L157-Q161 PolarHBondContact O-N 2.98Å |
| 158 | F | 98.6 | Very high | 98.6 | Very high | 146 Ų | 146 | 111.1 Ų | 111.1 | 64% | 0.64 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65 | -40.4 | 179.7 | -156.2 | -90.5 | 0 | 0 | 0 | 112 | L154 N155 N156 Q160 Q161 L162 | L154-F158 WeakPolarHBondContact O-CB 3.47Å; L154-F158 PolarHBondContact O-N 3.4Å; N155-F158 PolarHBondContact O-N 3.38Å; N156-F158 PolarHBondContact O-N 3Å; F158-Q160 VanDerWaalsContact C-N 3.34Å; F158-Q160 PolarHBondContact O-N 3.43Å; F158-Q161 PolarHBondContact O-N 2.92Å; F158-L162 WeakPolarHBondContact O-CB 3.47Å; F158-L162 PolarHBondContact O-N 3.09Å |
| 159 | R | 98.7 | Very high | 98.6 | Very high | 160 Ų | 160 | 114 Ų | 114 | 60% | 0.604 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | 172.9 | -76.7 | 174.1 | 176.5 | 174.1 | -0.7 | 112 | N155 N156 L157 K163 | N155-R159 WeakPolarHBondContact O-CB 3.48Å; N155-R159 VanDerWaalsContact O-CG 3.32Å; N155-R159 WeakPolarHBondContact O-CG 3.49Å; N155-R159 PolarHBondContact O-N 3.47Å; N156-R159 PolarHBondContact O-N 2.83Å; L157-R159 PolarHBondContact O-N 3.29Å; R159-K163 WeakPolarHBondContact O-CG 3.47Å; R159-K163 PolarHBondContact O-N 3.47Å |
| 160 | Q | 98.7 | Very high | 98.6 | Very high | 121 Ų | 121 | 112.5 Ų | 112.5 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.3 | -46 | 176 | -70.4 | 175.5 | 9.4 | 0 | 0 | 111.2 | N156 L157 F158 L162 K163 V164 | N156-Q160 WeakPolarHBondContact O-CG 3.41Å; N156-Q160 PolarHBondContact O-N 2.97Å; L157-Q160 PolarHBondContact O-N 2.95Å; F158-Q160 VanDerWaalsContact C-N 3.34Å; F158-Q160 PolarHBondContact O-N 3.43Å; Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 3.27Å; Q160-K163 WeakPolarHBondContact O-CB 3.42Å; Q160-K163 PolarHBondContact O-N 3.39Å; Q160-K163 VanDerWaalsContact O-N 3.14Å; Q160-V164 PolarHBondContact O-N 3.14Å |
| 161 | Q | 98.4 | Very high | 98.7 | Very high | 109 Ų | 109 | 110.3 Ų | 110.3 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 178.1 | -168.5 | 64.7 | 16.1 | 0 | 0 | 111.9 | L157 F158 K163 V164 L165 | L157-Q161 WeakPolarHBondContact O-CB 3.42Å; L157-Q161 PolarHBondContact O-N 2.98Å; F158-Q161 PolarHBondContact O-N 2.92Å; Q161-K163 VanDerWaalsContact C-N 3.33Å; Q161-K163 PolarHBondContact O-N 3.36Å; Q161-V164 PolarHBondContact O-N 3.34Å; Q161-L165 HydrophobicContact CG-CD1 4.31Å; Q161-L165 WeakPolarHBondContact O-CG 3.39Å; Q161-L165 PolarHBondContact O-N 3Å |
| 162 | L | 98.7 | Very high | 98.7 | Very high | 103 Ų | 103 | 111.2 Ų | 111.2 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 176.4 | -175.7 | 63.4 | 0 | 0 | 0 | 111.8 | F158 Q160 L165 Q166 | F158-L162 WeakPolarHBondContact O-CB 3.47Å; F158-L162 PolarHBondContact O-N 3.09Å; Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 3.27Å; L162-L165 PolarHBondContact O-N 3.42Å; L162-Q166 WeakPolarHBondContact O-CB 3.4Å; L162-Q166 PolarHBondContact O-N 2.98Å |
| 163 | K | 98.7 | Very high | 98.7 | Very high | 149 Ų | 149 | 109.9 Ų | 109.9 | 65% | 0.648 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.3 | -45.2 | 175.3 | -71.1 | 176.5 | -178.3 | -177.4 | 0 | 111.7 | R159 Q160 Q161 Q166 Q167 | R159-K163 WeakPolarHBondContact O-CG 3.47Å; R159-K163 PolarHBondContact O-N 3.47Å; Q160-K163 WeakPolarHBondContact O-CB 3.42Å; Q160-K163 PolarHBondContact O-N 3.39Å; Q160-K163 VanDerWaalsContact O-N 3.14Å; Q161-K163 VanDerWaalsContact C-N 3.33Å; Q161-K163 PolarHBondContact O-N 3.36Å; K163-Q166 PolarHBondContact O-N 3.24Å; K163-Q167 WeakPolarHBondContact O-CB 3.44Å; K163-Q167 PolarHBondContact O-N 2.95Å |
| 164 | V | 98.7 | Very high | 98.7 | Very high | 81 Ų | 81 | 110.3 Ų | 110.3 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 177.8 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | Q160 Q161 Q166 Q167 A168 | Q160-V164 PolarHBondContact O-N 3.14Å; Q161-V164 PolarHBondContact O-N 3.34Å; V164-Q166 PolarHBondContact O-N 2.97Å; V164-Q167 PolarHBondContact O-N 3.35Å; V164-A168 WeakPolarHBondContact O-CB 3.39Å; V164-A168 PolarHBondContact O-N 3.49Å |
| 165 | L | 98.7 | Very high | 98.7 | Very high | 103 Ų | 103 | 111.6 Ų | 111.6 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 177.9 | -72.7 | 172.6 | 0 | 0 | 0 | 112.2 | Q161 L162 A168 R169 | Q161-L165 HydrophobicContact CG-CD1 4.31Å; Q161-L165 WeakPolarHBondContact O-CG 3.39Å; Q161-L165 PolarHBondContact O-N 3Å; L162-L165 PolarHBondContact O-N 3.42Å; L165-A168 PolarHBondContact O-N 2.86Å; L165-R169 PolarHBondContact O-N 3.47Å |
| 166 | Q | 98.8 | Very high | 98.7 | Very high | 131 Ų | 131 | 113.7 Ų | 113.7 | 61% | 0.612 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 176.6 | -170.7 | 175.1 | 29 | 0 | 0 | 111.4 | L162 K163 V164 R169 V170 | L162-Q166 WeakPolarHBondContact O-CB 3.4Å; L162-Q166 PolarHBondContact O-N 2.98Å; K163-Q166 PolarHBondContact O-N 3.24Å; V164-Q166 PolarHBondContact O-N 2.97Å; Q166-R169 PolarHBondContact O-N 3.12Å; Q166-V170 WeakPolarHBondContact O-CG2 3.35Å; Q166-V170 PolarHBondContact O-N 3.15Å |
| 167 | Q | 98.8 | Very high | 98.7 | Very high | 134 Ų | 134 | 116.9 Ų | 116.9 | 63% | 0.626 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.7 | -44.2 | 176.5 | -173.2 | 179.1 | 9.9 | 0 | 0 | 111.5 | K163 V164 R169 V170 V171 | K163-Q167 WeakPolarHBondContact O-CB 3.44Å; K163-Q167 PolarHBondContact O-N 2.95Å; V164-Q167 PolarHBondContact O-N 3.35Å; Q167-R169 VanDerWaalsContact C-N 3.31Å; Q167-R169 PolarHBondContact O-N 3.45Å; Q167-V170 PolarHBondContact O-N 3.38Å; Q167-V170 VanDerWaalsContact O-N 3.13Å; Q167-V171 WeakPolarHBondContact O-CG2 3.42Å; Q167-V171 PolarHBondContact O-N 3.22Å |
| 168 | A | 98.5 | Very high | 98.7 | Very high | 47 Ų | 47 | 113.9 Ų | 113.9 | 39% | 0.388 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -58.7 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V164 L165 V170 V171 Q172 | V164-A168 WeakPolarHBondContact O-CB 3.39Å; V164-A168 PolarHBondContact O-N 3.49Å; L165-A168 PolarHBondContact O-N 2.86Å; A168-V170 PolarHBondContact O-N 2.91Å; A168-V171 PolarHBondContact O-N 3.41Å; A168-Q172 WeakPolarHBondContact O-CB 3.41Å; A168-Q172 WeakPolarHBondContact O-CG 3.48Å; A168-Q172 PolarHBondContact O-N 3.36Å |
| 169 | R | 98.7 | Very high | 98.7 | Very high | 183 Ų | 183 | 111.4 Ų | 111.4 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.9 | -45 | 174.1 | 176.9 | -174.3 | -93 | -151.8 | -2.7 | 111.7 | L165 Q166 Q167 Q172 N173 | L165-R169 PolarHBondContact O-N 3.47Å; Q166-R169 PolarHBondContact O-N 3.12Å; Q167-R169 VanDerWaalsContact C-N 3.31Å; Q167-R169 PolarHBondContact O-N 3.45Å; R169-Q172 PolarHBondContact O-N 2.97Å; R169-N173 PolarHBondContact O-N 3.27Å; R169-N173 PolarHBondContact O-ND2 3.42Å |
| 170 | V | 98.7 | Very high | 98.7 | Very high | 73 Ų | 73 | 111.1 Ų | 111.1 | 44% | 0.442 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 178.8 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | Q166 Q167 A168 Q172 N173 Q174 | Q166-V170 WeakPolarHBondContact O-CG2 3.35Å; Q166-V170 PolarHBondContact O-N 3.15Å; Q167-V170 PolarHBondContact O-N 3.38Å; Q167-V170 VanDerWaalsContact O-N 3.13Å; A168-V170 PolarHBondContact O-N 2.91Å; V170-Q172 PolarHBondContact O-N 3.23Å; V170-N173 PolarHBondContact O-N 2.97Å; V170-Q174 WeakPolarHBondContact O-CG 3.49Å; V170-Q174 PolarHBondContact O-N 2.98Å |
| 171 | V | 98.8 | Very high | 98.7 | Very high | 59 Ų | 59 | 109.3 Ų | 109.3 | 36% | 0.358 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 179.5 | 172 | 0 | 0 | 0 | 0 | 111.5 | Q167 A168 Q174 K175 | Q167-V171 WeakPolarHBondContact O-CG2 3.42Å; Q167-V171 PolarHBondContact O-N 3.22Å; A168-V171 PolarHBondContact O-N 3.41Å; V171-Q174 PolarHBondContact O-N 3.33Å; V171-K175 WeakPolarHBondContact O-CG 3.49Å; V171-K175 PolarHBondContact O-N 2.95Å |
| 172 | Q | 98.5 | Very high | 98.7 | Very high | 142 Ų | 142 | 109.4 Ų | 109.4 | 66% | 0.664 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.7 | -42.7 | 176.7 | -77.4 | -172.9 | -14.2 | 0 | 0 | 112.4 | A168 R169 V170 Q174 K175 L176 | A168-Q172 WeakPolarHBondContact O-CB 3.41Å; A168-Q172 WeakPolarHBondContact O-CG 3.48Å; A168-Q172 PolarHBondContact O-N 3.36Å; R169-Q172 PolarHBondContact O-N 2.97Å; V170-Q172 PolarHBondContact O-N 3.23Å; Q172-Q174 VanDerWaalsContact C-N 3.33Å; Q172-Q174 PolarHBondContact O-N 3.03Å; Q172-K175 PolarHBondContact O-N 2.83Å; Q172-L176 PolarHBondContact O-N 3.27Å |
| 173 | N | 98.8 | Very high | 98.7 | Very high | 95 Ų | 95 | 111.7 Ų | 111.7 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 176 | -81.8 | -72.4 | 0 | 0 | 0 | 112.1 | R169 V170 L176 K177 | R169-N173 PolarHBondContact O-N 3.27Å; R169-N173 PolarHBondContact O-ND2 3.42Å; V170-N173 PolarHBondContact O-N 2.97Å; N173-L176 PolarHBondContact O-N 3.41Å; N173-K177 WeakPolarHBondContact O-CB 3.31Å; N173-K177 PolarHBondContact O-N 2.92Å |
| 174 | Q | 98.8 | Very high | 98.7 | Very high | 119 Ų | 119 | 108.8 Ų | 108.8 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 174.7 | -73.2 | 173.1 | -16.8 | 0 | 0 | 111.7 | V170 V171 Q172 L176 K177 A178 | V170-Q174 WeakPolarHBondContact O-CG 3.49Å; V170-Q174 PolarHBondContact O-N 2.98Å; V171-Q174 PolarHBondContact O-N 3.33Å; Q172-Q174 VanDerWaalsContact C-N 3.33Å; Q172-Q174 PolarHBondContact O-N 3.03Å; Q174-L176 PolarHBondContact O-N 3.45Å; Q174-K177 PolarHBondContact O-N 3.34Å; Q174-A178 PolarHBondContact O-N 2.86Å |
| 175 | K | 98.6 | Very high | 98.7 | Very high | 144 Ų | 144 | 110.2 Ų | 110.2 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.4 | -44.6 | 175.4 | -73.7 | -175.7 | 178.4 | -172.5 | 0 | 111.9 | V171 Q172 K177 A178 V179 | V171-K175 WeakPolarHBondContact O-CG 3.49Å; V171-K175 PolarHBondContact O-N 2.95Å; Q172-K175 PolarHBondContact O-N 2.83Å; K175-K177 VanDerWaalsContact C-N 3.32Å; K175-K177 PolarHBondContact O-N 3.32Å; K175-A178 PolarHBondContact O-N 2.99Å; K175-V179 WeakPolarHBondContact O-CG2 3.44Å; K175-V179 PolarHBondContact O-N 3.33Å |
| 176 | L | 98.7 | Very high | 98.7 | Very high | 120 Ų | 120 | 111 Ų | 111 | 63% | 0.628 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62 | -41.5 | 177.2 | -177.3 | 63.1 | 0 | 0 | 0 | 111.6 | Q172 N173 Q174 V179 R180 | Q172-L176 PolarHBondContact O-N 3.27Å; N173-L176 PolarHBondContact O-N 3.41Å; Q174-L176 PolarHBondContact O-N 3.45Å; L176-V179 PolarHBondContact O-N 3.31Å; L176-R180 PolarHBondContact O-N 3.06Å |
| 177 | K | 98.8 | Very high | 98.7 | Very high | 130 Ų | 130 | 108.2 Ų | 108.2 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.9 | -45.2 | 175.4 | -174.2 | 176.3 | 174.8 | -178.1 | 0 | 111.7 | N173 Q174 K175 V179 R180 E181 | N173-K177 WeakPolarHBondContact O-CB 3.31Å; N173-K177 PolarHBondContact O-N 2.92Å; Q174-K177 PolarHBondContact O-N 3.34Å; K175-K177 VanDerWaalsContact C-N 3.32Å; K175-K177 PolarHBondContact O-N 3.32Å; K177-V179 PolarHBondContact O-N 3.02Å; K177-R180 WeakPolarHBondContact O-CB 3.33Å; K177-R180 PolarHBondContact O-N 3.42Å; K177-E181 WeakPolarHBondContact CE-OE1 3.3Å; K177-E181 WeakPolarHBondContact O-CG 3.4Å; K177-E181 PolarHBondContact O-N 3Å |
| 178 | A | 98.8 | Very high | 98.7 | Very high | 43 Ų | 43 | 107.8 Ų | 107.8 | 36% | 0.355 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q174 K175 R180 E181 L182 | Q174-A178 PolarHBondContact O-N 2.86Å; K175-A178 PolarHBondContact O-N 2.99Å; A178-R180 VanDerWaalsContact C-N 3.33Å; A178-R180 PolarHBondContact O-N 2.94Å; A178-E181 PolarHBondContact O-N 3.29Å; A178-L182 WeakPolarHBondContact O-CG 3.38Å; A178-L182 PolarHBondContact O-N 3.48Å |
| 179 | V | 98.8 | Very high | 98.7 | Very high | 94 Ų | 94 | 110.6 Ų | 110.6 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 175 | 172 | 0 | 0 | 0 | 0 | 111.1 | K175 L176 K177 L182 Y183 | K175-V179 WeakPolarHBondContact O-CG2 3.44Å; K175-V179 PolarHBondContact O-N 3.33Å; L176-V179 PolarHBondContact O-N 3.31Å; K177-V179 PolarHBondContact O-N 3.02Å; V179-L182 PolarHBondContact O-N 3.27Å; V179-Y183 PolarHBondContact O-N 3.43Å |
| 180 | R | 98.8 | Very high | 98.7 | Very high | 154 Ų | 154 | 105.8 Ų | 105.8 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 176.3 | -174.9 | 178.7 | 179.1 | -72.8 | -12.6 | 111.7 | L176 K177 A178 Y183 E184 | L176-R180 PolarHBondContact O-N 3.06Å; K177-R180 WeakPolarHBondContact O-CB 3.33Å; K177-R180 PolarHBondContact O-N 3.42Å; A178-R180 VanDerWaalsContact C-N 3.33Å; A178-R180 PolarHBondContact O-N 2.94Å; R180-Y183 PolarHBondContact O-N 2.94Å; R180-E184 IonicContact CZ-OE1 2.82Å; R180-E184 IonicContact NE-OE1 2.85Å; R180-E184 IonicContact NH1-OE1 3.87Å; R180-E184 PolarHBondContact NH1-OE1 3.3Å; R180-E184 IonicContact NH1-OE2 2.92Å; R180-E184 PolarHBondContact NH1-OE2 2.94Å; R180-E184 IonicContact NH2-OE1 2.7Å; R180-E184 PolarHBondContact NH2-OE1 3.43Å; R180-E184 WeakPolarHBondContact O-CG 3.5Å; R180-E184 PolarHBondContact O-N 3.46Å |
| 181 | E | 98.8 | Very high | 98.7 | Very high | 82 Ų | 82 | 107 Ų | 107 | 38% | 0.383 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 177.7 | -72.7 | 169.9 | 179.8 | 0 | 0 | 112 | K177 A178 Y183 E184 Q185 | K177-E181 WeakPolarHBondContact CE-OE1 3.3Å; K177-E181 WeakPolarHBondContact O-CG 3.4Å; K177-E181 PolarHBondContact O-N 3Å; A178-E181 PolarHBondContact O-N 3.29Å; E181-Y183 VanDerWaalsContact C-N 3.33Å; E181-Y183 PolarHBondContact O-N 3Å; E181-E184 PolarHBondContact O-N 2.97Å; E181-Q185 VanDerWaalsContact O-CG 3.3Å; E181-Q185 WeakPolarHBondContact O-CG 3.46Å; E181-Q185 PolarHBondContact O-N 3.4Å |
| 182 | L | 98.8 | Very high | 98.7 | Very high | 112 Ų | 112 | 107 Ų | 107 | 59% | 0.586 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.4 | -41.2 | 174.7 | -76.4 | 170.3 | 0 | 0 | 0 | 112.1 | A178 V179 Q185 F186 | A178-L182 WeakPolarHBondContact O-CG 3.38Å; A178-L182 PolarHBondContact O-N 3.48Å; V179-L182 PolarHBondContact O-N 3.27Å; L182-Q185 PolarHBondContact O-N 3.28Å; L182-F186 WeakPolarHBondContact O-CB 3.34Å; L182-F186 PolarHBondContact O-N 2.92Å |
| 183 | Y | 98.7 | Very high | 98.7 | Very high | 151 Ų | 151 | 104.2 Ų | 104.2 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.2 | -44.5 | 176.7 | -177.5 | -93.8 | 0 | 0 | 0 | 111.9 | V179 R180 E181 Q185 F186 M187 | V179-Y183 PolarHBondContact O-N 3.43Å; R180-Y183 PolarHBondContact O-N 2.94Å; E181-Y183 VanDerWaalsContact C-N 3.33Å; E181-Y183 PolarHBondContact O-N 3Å; Y183-Q185 VanDerWaalsContact C-N 3.32Å; Y183-Q185 PolarHBondContact O-N 3.41Å; Y183-F186 PolarHBondContact O-N 3.43Å; Y183-M187 HydrophobicContact CD1-CG 4.17Å; Y183-M187 HydrophobicContact CE1-CG 3.69Å; Y183-M187 HydrophobicContact CE1-SD 4.46Å; Y183-M187 WeakPolarHBondContact O-CG 3.27Å; Y183-M187 PolarHBondContact O-N 3.47Å |
| 184 | E | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 106.4 Ų | 106.4 | 41% | 0.407 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 175.9 | -72.9 | 175.3 | 163.4 | 0 | 0 | 111.7 | R180 E181 M187 K188 | R180-E184 IonicContact CZ-OE1 2.82Å; R180-E184 IonicContact NE-OE1 2.85Å; R180-E184 IonicContact NH1-OE1 3.87Å; R180-E184 PolarHBondContact NH1-OE1 3.3Å; R180-E184 IonicContact NH1-OE2 2.92Å; R180-E184 PolarHBondContact NH1-OE2 2.94Å; R180-E184 IonicContact NH2-OE1 2.7Å; R180-E184 PolarHBondContact NH2-OE1 3.43Å; R180-E184 WeakPolarHBondContact O-CG 3.5Å; R180-E184 PolarHBondContact O-N 3.46Å; E181-E184 PolarHBondContact O-N 2.97Å; E184-M187 PolarHBondContact O-N 3.42Å; E184-K188 WeakPolarHBondContact O-CB 3.44Å; E184-K188 PolarHBondContact O-N 3.43Å |
| 185 | Q | 98.8 | Very high | 98.6 | Very high | 112 Ų | 112 | 105.9 Ų | 105.9 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 175.3 | -73.1 | 174 | 11.3 | 0 | 0 | 112.3 | E181 L182 Y183 M187 K188 N189 | E181-Q185 VanDerWaalsContact O-CG 3.3Å; E181-Q185 WeakPolarHBondContact O-CG 3.46Å; E181-Q185 PolarHBondContact O-N 3.4Å; L182-Q185 PolarHBondContact O-N 3.28Å; Y183-Q185 VanDerWaalsContact C-N 3.32Å; Y183-Q185 PolarHBondContact O-N 3.41Å; Q185-M187 PolarHBondContact O-N 3.3Å; Q185-K188 PolarHBondContact O-N 2.89Å; Q185-N189 WeakPolarHBondContact O-CB 3.27Å; Q185-N189 PolarHBondContact O-N 3.34Å; Q185-N189 PolarHBondContact O-ND2 3.01Å |
| 186 | F | 98.6 | Very high | 98.6 | Very high | 120 Ų | 120 | 103.5 Ų | 103.5 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 177.3 | 175.6 | -99.4 | 0 | 0 | 0 | 111.5 | L182 Y183 K188 N189 M190 | L182-F186 WeakPolarHBondContact O-CB 3.34Å; L182-F186 PolarHBondContact O-N 2.92Å; Y183-F186 PolarHBondContact O-N 3.43Å; F186-K188 PolarHBondContact O-N 3.07Å; F186-N189 PolarHBondContact O-N 3.41Å; F186-M190 HydrophobicContact CD1-CG 4.32Å; F186-M190 HydrophobicContact CE1-CG 3.85Å; F186-M190 HydrophobicContact CE2-CG 4.16Å; F186-M190 HydrophobicContact CE2-SD 4.33Å; F186-M190 HydrophobicContact CZ-CG 3.76Å; F186-M190 HydrophobicContact CZ-SD 4Å; F186-M190 WeakPolarHBondContact O-CG 3.38Å; F186-M190 PolarHBondContact O-N 3.46Å |
| 187 | M | 98.8 | Very high | 98.6 | Very high | 72 Ų | 72 | 102.6 Ų | 102.6 | 36% | 0.355 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 177.3 | -73.3 | -59.7 | -57.3 | 0 | 0 | 111.7 | Y183 E184 Q185 N189 M190 E191 | Y183-M187 HydrophobicContact CD1-CG 4.17Å; Y183-M187 HydrophobicContact CE1-CG 3.69Å; Y183-M187 HydrophobicContact CE1-SD 4.46Å; Y183-M187 WeakPolarHBondContact O-CG 3.27Å; Y183-M187 PolarHBondContact O-N 3.47Å; E184-M187 PolarHBondContact O-N 3.42Å; Q185-M187 PolarHBondContact O-N 3.3Å; M187-N189 VanDerWaalsContact C-N 3.34Å; M187-N189 PolarHBondContact O-N 3.3Å; M187-M190 WeakPolarHBondContact O-CB 3.43Å; M187-M190 PolarHBondContact O-N 2.85Å; M187-E191 WeakPolarHBondContact O-CG 3.45Å; M187-E191 PolarHBondContact O-N 3.34Å |
| 188 | K | 98.8 | Very high | 98.6 | Very high | 125 Ų | 125 | 102 Ų | 102 | 54% | 0.543 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 176.7 | -175.7 | 178.8 | 177.6 | -176.7 | 0 | 112.2 | E184 Q185 F186 M190 E191 D192 | E184-K188 WeakPolarHBondContact O-CB 3.44Å; E184-K188 PolarHBondContact O-N 3.43Å; Q185-K188 PolarHBondContact O-N 2.89Å; F186-K188 PolarHBondContact O-N 3.07Å; K188-M190 VanDerWaalsContact C-N 3.3Å; K188-M190 PolarHBondContact O-N 3.45Å; K188-E191 PolarHBondContact O-N 2.97Å; K188-D192 PolarHBondContact O-N 3.44Å |
| 189 | N | 98.6 | Very high | 98.5 | Very high | 105 Ų | 105 | 105.4 Ų | 105.4 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -37.6 | 178 | -69.6 | -14.5 | 0 | 0 | 0 | 111.9 | Q185 F186 M187 M193 | Q185-N189 WeakPolarHBondContact O-CB 3.27Å; Q185-N189 PolarHBondContact O-N 3.34Å; Q185-N189 PolarHBondContact O-ND2 3.01Å; F186-N189 PolarHBondContact O-N 3.41Å; M187-N189 VanDerWaalsContact C-N 3.34Å; M187-N189 PolarHBondContact O-N 3.3Å; N189-M193 VanDerWaalsContact O-CB 3.29Å; N189-M193 WeakPolarHBondContact O-CB 3.44Å; N189-M193 PolarHBondContact O-N 3.06Å |
| 190 | M | 98.6 | Very high | 98.5 | Very high | 83 Ų | 83 | 107.7 Ų | 107.7 | 41% | 0.409 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 174.8 | -72.6 | -66 | -63 | 0 | 0 | 111.5 | F186 M187 K188 D192 M193 E194 | F186-M190 HydrophobicContact CD1-CG 4.32Å; F186-M190 HydrophobicContact CE1-CG 3.85Å; F186-M190 HydrophobicContact CE2-CG 4.16Å; F186-M190 HydrophobicContact CE2-SD 4.33Å; F186-M190 HydrophobicContact CZ-CG 3.76Å; F186-M190 HydrophobicContact CZ-SD 4Å; F186-M190 WeakPolarHBondContact O-CG 3.38Å; F186-M190 PolarHBondContact O-N 3.46Å; M187-M190 WeakPolarHBondContact O-CB 3.43Å; M187-M190 PolarHBondContact O-N 2.85Å; K188-M190 VanDerWaalsContact C-N 3.3Å; K188-M190 PolarHBondContact O-N 3.45Å; M190-D192 PolarHBondContact O-N 2.94Å; M190-M193 HydrophobicContact CE-CE 3.82Å; M190-M193 PolarHBondContact O-N 3.47Å; M190-M193 HydrophobicContact SD-CE 3.54Å; M190-M193 VanDerWaalsContact SD-CE 3.54Å; M190-E194 WeakPolarHBondContact O-CB 3.33Å; M190-E194 PolarHBondContact O-N 3.48Å |
| 191 | E | 98.6 | Very high | 98.4 | Very high | 99 Ų | 99 | 105.8 Ų | 105.8 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 175.9 | -71.5 | 174 | -167.5 | 0 | 0 | 112.1 | M187 K188 E194 K195 | M187-E191 WeakPolarHBondContact O-CG 3.45Å; M187-E191 PolarHBondContact O-N 3.34Å; K188-E191 PolarHBondContact O-N 2.97Å; E191-E194 PolarHBondContact O-N 3.33Å; E191-K195 WeakPolarHBondContact O-CG 3.37Å; E191-K195 PolarHBondContact O-N 2.99Å; E191-K195 VanDerWaalsContact O-N 3.09Å |
| 192 | D | 98.5 | Very high | 98.4 | Very high | 59 Ų | 59 | 106.4 Ų | 106.4 | 32% | 0.316 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.8 | -37.2 | 179.2 | -71 | -20.3 | 0 | 0 | 0 | 111.7 | K188 M190 K195 N196 | K188-D192 PolarHBondContact O-N 3.44Å; M190-D192 PolarHBondContact O-N 2.94Å; D192-K195 IonicContact OD1-NZ 3.49Å; D192-K195 PolarHBondContact OD1-NZ 2.96Å; D192-N196 VanDerWaalsContact O-CG 3.26Å; D192-N196 PolarHBondContact O-N 3.49Å; D192-N196 PolarHBondContact O-ND2 3.44Å |
| 193 | M | 98.4 | Very high | 98.3 | Very high | 82 Ų | 82 | 102.6 Ų | 102.6 | 40% | 0.404 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 172.7 | -177.7 | 179.2 | 63.7 | 0 | 0 | 111.7 | N189 M190 N196 H197 | N189-M193 VanDerWaalsContact O-CB 3.29Å; N189-M193 WeakPolarHBondContact O-CB 3.44Å; N189-M193 PolarHBondContact O-N 3.06Å; M190-M193 HydrophobicContact CE-CE 3.82Å; M190-M193 PolarHBondContact O-N 3.47Å; M190-M193 HydrophobicContact SD-CE 3.54Å; M190-M193 VanDerWaalsContact SD-CE 3.54Å; M193-N196 PolarHBondContact O-N 3.4Å; M193-H197 PolarHBondContact O-N 3.45Å |
| 194 | E | 98.3 | Very high | 98.3 | Very high | 141 Ų | 141 | 98.8 Ų | 98.8 | 66% | 0.659 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 177.9 | -173.7 | 157.1 | -142.3 | 0 | 0 | 111.6 | M190 E191 N196 H197 E198 | M190-E194 WeakPolarHBondContact O-CB 3.33Å; M190-E194 PolarHBondContact O-N 3.48Å; E191-E194 PolarHBondContact O-N 3.33Å; E194-N196 VanDerWaalsContact C-N 3.34Å; E194-N196 PolarHBondContact O-N 2.85Å; E194-H197 PolarHBondContact O-N 2.89Å; E194-E198 PolarHBondContact O-N 2.9Å |
| 195 | K | 98.4 | Very high | 98.2 | Very high | 108 Ų | 108 | 99.2 Ų | 99.2 | 47% | 0.47 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 172.6 | -69.1 | 168.8 | -165.5 | 156.4 | 0 | 112.3 | E191 D192 E198 M199 | E191-K195 WeakPolarHBondContact O-CG 3.37Å; E191-K195 PolarHBondContact O-N 2.99Å; E191-K195 VanDerWaalsContact O-N 3.09Å; D192-K195 IonicContact OD1-NZ 3.49Å; D192-K195 PolarHBondContact OD1-NZ 2.96Å; K195-E198 PolarHBondContact O-N 2.74Å; K195-M199 WeakPolarHBondContact O-CG 3.31Å; K195-M199 PolarHBondContact O-N 2.87Å |
| 196 | N | 97.9 | Very high | 98.2 | Very high | 94 Ų | 94 | 99.1 Ų | 99.1 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 177.7 | -72.6 | -29.2 | 0 | 0 | 0 | 112 | D192 M193 E194 M199 F200 | D192-N196 VanDerWaalsContact O-CG 3.26Å; D192-N196 PolarHBondContact O-N 3.49Å; D192-N196 PolarHBondContact O-ND2 3.44Å; M193-N196 PolarHBondContact O-N 3.4Å; E194-N196 VanDerWaalsContact C-N 3.34Å; E194-N196 PolarHBondContact O-N 2.85Å; N196-M199 PolarHBondContact O-N 3.29Å; N196-M199 WeakPolarHBondContact OD1-CE 3.5Å; N196-F200 WeakPolarHBondContact O-CB 3.32Å; N196-F200 PolarHBondContact O-N 3.21Å |
| 197 | H | 98.1 | Very high | 98.1 | Very high | 102 Ų | 102 | 98.1 Ų | 98.1 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 174.8 | -72.9 | 173.3 | 0 | 0 | 0 | 112 | M193 E194 F200 L201 | M193-H197 PolarHBondContact O-N 3.45Å; E194-H197 PolarHBondContact O-N 2.89Å; H197-F200 PolarHBondContact O-N 3.44Å; H197-L201 WeakPolarHBondContact O-CB 3.27Å; H197-L201 VanDerWaalsContact O-CG 3.3Å; H197-L201 WeakPolarHBondContact O-CG 3.39Å; H197-L201 PolarHBondContact O-N 3.04Å |
| 198 | E | 98.2 | Very high | 98.1 | Very high | 116 Ų | 116 | 99.4 Ų | 99.4 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 175.8 | -170 | 177 | -174.1 | 0 | 0 | 111.3 | E194 K195 F200 L201 Q202 | E194-E198 PolarHBondContact O-N 2.9Å; K195-E198 PolarHBondContact O-N 2.74Å; E198-F200 PolarHBondContact O-N 3.07Å; E198-L201 PolarHBondContact O-N 3.37Å; E198-Q202 WeakPolarHBondContact O-CG 3.31Å; E198-Q202 PolarHBondContact O-N 3.12Å |
| 199 | M | 97.7 | Very high | 98.1 | Very high | 115 Ų | 115 | 100.4 Ų | 100.4 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.1 | -43.5 | 175.1 | -69.3 | -171 | -63.6 | 0 | 0 | 112.4 | K195 N196 Q202 G203 | K195-M199 WeakPolarHBondContact O-CG 3.31Å; K195-M199 PolarHBondContact O-N 2.87Å; N196-M199 PolarHBondContact O-N 3.29Å; N196-M199 WeakPolarHBondContact OD1-CE 3.5Å; M199-Q202 PolarHBondContact O-N 3.25Å; M199-G203 PolarHBondContact O-N 3.41Å |
| 200 | F | 97.8 | Very high | 98.1 | Very high | 142 Ų | 142 | 100.8 Ų | 100.8 | 62% | 0.623 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.2 | -43.3 | 177.8 | 175.5 | -97.3 | 0 | 0 | 0 | 112.3 | N196 H197 E198 G203 T204 | N196-F200 WeakPolarHBondContact O-CB 3.32Å; N196-F200 PolarHBondContact O-N 3.21Å; H197-F200 PolarHBondContact O-N 3.44Å; E198-F200 PolarHBondContact O-N 3.07Å; F200-G203 PolarHBondContact O-N 3.46Å; F200-T204 WeakPolarHBondContact O-CB 3.37Å; F200-T204 PolarHBondContact O-N 3.14Å; F200-T204 PolarHBondContact O-OG1 2.97Å |
| 201 | L | 97.9 | Very high | 98 | Very high | 114 Ų | 114 | 103.5 Ų | 103.5 | 60% | 0.597 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 176.7 | -76 | 171.7 | 0 | 0 | 0 | 111.2 | H197 E198 G203 T204 Q205 | H197-L201 WeakPolarHBondContact O-CB 3.27Å; H197-L201 VanDerWaalsContact O-CG 3.3Å; H197-L201 WeakPolarHBondContact O-CG 3.39Å; H197-L201 PolarHBondContact O-N 3.04Å; E198-L201 PolarHBondContact O-N 3.37Å; L201-G203 PolarHBondContact O-N 2.9Å; L201-T204 PolarHBondContact O-N 2.98Å; L201-Q205 VanDerWaalsContact O-CB 3.31Å; L201-Q205 WeakPolarHBondContact O-CB 3.36Å; L201-Q205 PolarHBondContact O-N 3.19Å |
| 202 | Q | 97.9 | Very high | 98 | Very high | 95 Ų | 95 | 104.5 Ų | 104.5 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 174.1 | -73.7 | 179.3 | 12.2 | 0 | 0 | 111.5 | E198 M199 Q205 Q206 | E198-Q202 WeakPolarHBondContact O-CG 3.31Å; E198-Q202 PolarHBondContact O-N 3.12Å; M199-Q202 PolarHBondContact O-N 3.25Å; Q202-Q205 PolarHBondContact O-N 3.29Å; Q202-Q206 VanDerWaalsContact O-CG 3.32Å; Q202-Q206 WeakPolarHBondContact O-CG 3.43Å; Q202-Q206 PolarHBondContact O-N 3.29Å |
| 203 | G | 97.5 | Very high | 98 | Very high | 33 Ų | 33 | 104.3 Ų | 104.3 | 34% | 0.34 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M199 F200 L201 Q205 Q206 E207 | M199-G203 PolarHBondContact O-N 3.41Å; F200-G203 PolarHBondContact O-N 3.46Å; L201-G203 PolarHBondContact O-N 2.9Å; G203-Q205 VanDerWaalsContact C-N 3.32Å; G203-Q205 PolarHBondContact O-N 3.12Å; G203-Q206 WeakPolarHBondContact O-CB 3.42Å; G203-Q206 PolarHBondContact O-N 2.85Å; G203-E207 PolarHBondContact O-N 2.99Å |
| 204 | T | 97.5 | Very high | 98 | Very high | 70 Ų | 70 | 104.9 Ų | 104.9 | 43% | 0.429 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 177.1 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | F200 L201 E207 L208 | F200-T204 WeakPolarHBondContact O-CB 3.37Å; F200-T204 PolarHBondContact O-N 3.14Å; F200-T204 PolarHBondContact O-OG1 2.97Å; L201-T204 PolarHBondContact O-N 2.98Å; T204-E207 PolarHBondContact O-N 3.34Å; T204-L208 PolarHBondContact O-N 2.86Å |
| 205 | Q | 97.7 | Very high | 97.9 | Very high | 97 Ų | 97 | 103 Ų | 103 | 45% | 0.453 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.9 | -35.9 | 177.8 | -163 | -169 | 17.4 | 0 | 0 | 112.1 | L201 Q202 G203 R209 | L201-Q205 VanDerWaalsContact O-CB 3.31Å; L201-Q205 WeakPolarHBondContact O-CB 3.36Å; L201-Q205 PolarHBondContact O-N 3.19Å; Q202-Q205 PolarHBondContact O-N 3.29Å; G203-Q205 VanDerWaalsContact C-N 3.32Å; G203-Q205 PolarHBondContact O-N 3.12Å; Q205-R209 VanDerWaalsContact NE2-NH2 3.13Å; Q205-R209 WeakPolarHBondContact O-CG 3.44Å; Q205-R209 PolarHBondContact O-N 2.87Å; Q205-R209 VanDerWaalsContact O-N 3.12Å |
| 206 | Q | 98 | Very high | 97.9 | Very high | 109 Ų | 109 | 104.8 Ų | 104.8 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 173.7 | -73.2 | 175.6 | 12.9 | 0 | 0 | 111.3 | Q202 G203 R209 K210 | Q202-Q206 VanDerWaalsContact O-CG 3.32Å; Q202-Q206 WeakPolarHBondContact O-CG 3.43Å; Q202-Q206 PolarHBondContact O-N 3.29Å; G203-Q206 WeakPolarHBondContact O-CB 3.42Å; G203-Q206 PolarHBondContact O-N 2.85Å; Q206-R209 WeakPolarHBondContact O-CB 3.45Å; Q206-R209 PolarHBondContact O-N 3.44Å; Q206-K210 PolarHBondContact O-N 3.42Å |
| 207 | E | 97.8 | Very high | 97.9 | Very high | 100 Ų | 100 | 107 Ų | 107 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.4 | -40.5 | 179.9 | -117 | 50.4 | -169.2 | 0 | 0 | 112 | G203 T204 R209 K210 E211 | G203-E207 PolarHBondContact O-N 2.99Å; T204-E207 PolarHBondContact O-N 3.34Å; E207-R209 VanDerWaalsContact C-N 3.29Å; E207-R209 PolarHBondContact O-N 2.94Å; E207-K210 WeakPolarHBondContact O-CB 3.39Å; E207-K210 PolarHBondContact O-N 2.97Å; E207-K210 VanDerWaalsContact O-N 3.12Å; E207-K210 IonicContact OE1-NZ 2.74Å; E207-K210 PolarHBondContact OE1-NZ 3.42Å; E207-K210 WeakPolarHBondContact OE2-CE 3.34Å; E207-K210 IonicContact OE2-NZ 3.43Å; E207-K210 PolarHBondContact OE2-NZ 2.93Å; E207-E211 PolarHBondContact O-N 3.49Å |
| 208 | L | 97.9 | Very high | 97.9 | Very high | 98 Ų | 98 | 108.4 Ų | 108.4 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 171.6 | -178 | 63.2 | 0 | 0 | 0 | 112 | T204 E211 M212 | T204-L208 PolarHBondContact O-N 2.86Å; L208-E211 PolarHBondContact O-N 3.03Å; L208-M212 HydrophobicContact CD1-CE 4.44Å; L208-M212 WeakPolarHBondContact O-CB 3.39Å; L208-M212 WeakPolarHBondContact O-CG 3.27Å; L208-M212 PolarHBondContact O-N 3.34Å |
| 209 | R | 98.3 | Very high | 97.8 | Very high | 146 Ų | 146 | 107.5 Ų | 107.5 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.5 | -40 | 175.3 | -79 | -174.6 | -177.8 | 99.9 | -1 | 112.1 | Q205 Q206 E207 M212 A213 | Q205-R209 VanDerWaalsContact NE2-NH2 3.13Å; Q205-R209 WeakPolarHBondContact O-CG 3.44Å; Q205-R209 PolarHBondContact O-N 2.87Å; Q205-R209 VanDerWaalsContact O-N 3.12Å; Q206-R209 WeakPolarHBondContact O-CB 3.45Å; Q206-R209 PolarHBondContact O-N 3.44Å; E207-R209 VanDerWaalsContact C-N 3.29Å; E207-R209 PolarHBondContact O-N 2.94Å; R209-M212 PolarHBondContact O-N 3.49Å; R209-A213 WeakPolarHBondContact O-CB 3.5Å; R209-A213 PolarHBondContact O-N 3.33Å |
| 210 | K | 98.3 | Very high | 97.8 | Very high | 113 Ų | 113 | 107 Ų | 107 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 176.5 | -68.6 | 174.1 | -171.9 | 158.6 | 0 | 111.7 | Q206 E207 A213 T214 | Q206-K210 PolarHBondContact O-N 3.42Å; E207-K210 WeakPolarHBondContact O-CB 3.39Å; E207-K210 PolarHBondContact O-N 2.97Å; E207-K210 VanDerWaalsContact O-N 3.12Å; E207-K210 IonicContact OE1-NZ 2.74Å; E207-K210 PolarHBondContact OE1-NZ 3.42Å; E207-K210 WeakPolarHBondContact OE2-CE 3.34Å; E207-K210 IonicContact OE2-NZ 3.43Å; E207-K210 PolarHBondContact OE2-NZ 2.93Å; K210-A213 PolarHBondContact O-N 3.31Å; K210-T214 WeakPolarHBondContact O-CB 3.4Å; K210-T214 PolarHBondContact O-N 2.94Å; K210-T214 PolarHBondContact O-OG1 2.94Å |
| 211 | E | 98 | Very high | 97.8 | Very high | 140 Ų | 140 | 105.3 Ų | 105.3 | 65% | 0.654 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.9 | -48.6 | 174.8 | -79.6 | -77.3 | 149.2 | 0 | 0 | 111 | E207 L208 A213 T214 L215 | E207-E211 PolarHBondContact O-N 3.49Å; L208-E211 PolarHBondContact O-N 3.03Å; E211-A213 PolarHBondContact O-N 3.47Å; E211-T214 PolarHBondContact O-N 3.22Å; E211-L215 WeakPolarHBondContact O-CB 3.47Å; E211-L215 PolarHBondContact O-N 3.11Å |
| 212 | M | 97.8 | Very high | 97.7 | Very high | 121 Ų | 121 | 104 Ų | 104 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.6 | -42.7 | 176.7 | -77.8 | -162.2 | 174 | 0 | 0 | 112.8 | L208 R209 T214 L215 Q216 | L208-M212 HydrophobicContact CD1-CE 4.44Å; L208-M212 WeakPolarHBondContact O-CB 3.39Å; L208-M212 WeakPolarHBondContact O-CG 3.27Å; L208-M212 PolarHBondContact O-N 3.34Å; R209-M212 PolarHBondContact O-N 3.49Å; M212-T214 VanDerWaalsContact C-N 3.33Å; M212-T214 PolarHBondContact O-N 3.46Å; M212-L215 PolarHBondContact O-N 2.94Å; M212-Q216 WeakPolarHBondContact O-CB 3.33Å; M212-Q216 PolarHBondContact O-N 2.94Å |
| 213 | A | 98.2 | Very high | 97.6 | Very high | 55 Ų | 55 | 102.8 Ų | 102.8 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | R209 K210 E211 Q216 K217 | R209-A213 WeakPolarHBondContact O-CB 3.5Å; R209-A213 PolarHBondContact O-N 3.33Å; K210-A213 PolarHBondContact O-N 3.31Å; E211-A213 PolarHBondContact O-N 3.47Å; A213-Q216 PolarHBondContact O-N 3.11Å; A213-K217 WeakPolarHBondContact O-CB 3.26Å; A213-K217 PolarHBondContact O-N 2.95Å |
| 214 | T | 98 | Very high | 97.5 | Very high | 94 Ų | 94 | 106.3 Ų | 106.3 | 58% | 0.577 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -44.2 | 176.9 | -57 | 0 | 0 | 0 | 0 | 111 | K210 E211 M212 K217 K218 | K210-T214 WeakPolarHBondContact O-CB 3.4Å; K210-T214 PolarHBondContact O-N 2.94Å; K210-T214 PolarHBondContact O-OG1 2.94Å; E211-T214 PolarHBondContact O-N 3.22Å; M212-T214 VanDerWaalsContact C-N 3.33Å; M212-T214 PolarHBondContact O-N 3.46Å; T214-K217 PolarHBondContact O-N 2.97Å; T214-K218 WeakPolarHBondContact O-CB 3.35Å; T214-K218 PolarHBondContact O-N 3.41Å |
| 215 | L | 98.1 | Very high | 97.4 | Very high | 101 Ų | 101 | 109.3 Ų | 109.3 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 174.5 | 178.1 | 62.5 | 0 | 0 | 0 | 111.5 | E211 M212 K217 K218 I219 | E211-L215 WeakPolarHBondContact O-CB 3.47Å; E211-L215 PolarHBondContact O-N 3.11Å; M212-L215 PolarHBondContact O-N 2.94Å; L215-K217 VanDerWaalsContact C-N 3.31Å; L215-K217 PolarHBondContact O-N 3.39Å; L215-K218 WeakPolarHBondContact O-CB 3.35Å; L215-K218 PolarHBondContact O-N 3.23Å; L215-K218 VanDerWaalsContact O-N 3.15Å; L215-I219 HydrophobicContact CD1-CD1 4.14Å; L215-I219 HydrophobicContact CD1-CG1 4.33Å; L215-I219 HydrophobicContact CG-CD1 4.02Å; L215-I219 WeakPolarHBondContact O-CG1 3.43Å; L215-I219 PolarHBondContact O-N 3.31Å |
| 216 | Q | 97.5 | Very high | 97.2 | Very high | 145 Ų | 145 | 110.8 Ų | 110.8 | 68% | 0.678 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.6 | -43.1 | 178.4 | -171.1 | 179.4 | 7.6 | 0 | 0 | 111.5 | M212 A213 I219 L220 | M212-Q216 WeakPolarHBondContact O-CB 3.33Å; M212-Q216 PolarHBondContact O-N 2.94Å; A213-Q216 PolarHBondContact O-N 3.11Å; Q216-I219 PolarHBondContact O-N 2.85Å; Q216-L220 PolarHBondContact O-N 2.88Å; Q216-L220 VanDerWaalsContact O-N 3.13Å |
| 217 | K | 97.9 | Very high | 97 | Very high | 142 Ų | 142 | 111.6 Ų | 111.6 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 175 | -174.5 | 179.3 | 179.4 | -179 | 0 | 111.8 | A213 T214 L215 L220 M221 | A213-K217 WeakPolarHBondContact O-CB 3.26Å; A213-K217 PolarHBondContact O-N 2.95Å; T214-K217 PolarHBondContact O-N 2.97Å; L215-K217 VanDerWaalsContact C-N 3.31Å; L215-K217 PolarHBondContact O-N 3.39Å; K217-L220 PolarHBondContact O-N 3.34Å; K217-M221 HydrophobicContact CG-SD 4.46Å; K217-M221 WeakPolarHBondContact O-CG 3.02Å; K217-M221 PolarHBondContact O-N 2.91Å |
| 218 | K | 97.6 | Very high | 96.9 | Very high | 131 Ų | 131 | 112.2 Ų | 112.2 | 57% | 0.57 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.2 | -48.1 | 178.6 | -170.6 | 177.7 | -175 | 179 | 0 | 111.7 | T214 L215 L220 M221 D222 | T214-K218 WeakPolarHBondContact O-CB 3.35Å; T214-K218 PolarHBondContact O-N 3.41Å; L215-K218 WeakPolarHBondContact O-CB 3.35Å; L215-K218 PolarHBondContact O-N 3.23Å; L215-K218 VanDerWaalsContact O-N 3.15Å; K218-L220 VanDerWaalsContact C-N 3.3Å; K218-L220 PolarHBondContact O-N 2.94Å; K218-M221 PolarHBondContact O-N 3.43Å; K218-D222 WeakPolarHBondContact O-CB 3.43Å; K218-D222 PolarHBondContact O-N 2.89Å |
| 219 | I | 97.3 | Very high | 96.6 | Very high | 96 Ų | 96 | 109.2 Ų | 109.2 | 49% | 0.492 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -56.7 | -44.3 | 177 | -68.6 | 168.4 | 0 | 0 | 0 | 111.1 | L215 Q216 T223 | L215-I219 HydrophobicContact CD1-CD1 4.14Å; L215-I219 HydrophobicContact CD1-CG1 4.33Å; L215-I219 HydrophobicContact CG-CD1 4.02Å; L215-I219 WeakPolarHBondContact O-CG1 3.43Å; L215-I219 PolarHBondContact O-N 3.31Å; Q216-I219 PolarHBondContact O-N 2.85Å; I219-T223 WeakPolarHBondContact O-CB 3.29Å; I219-T223 PolarHBondContact O-N 3.44Å; I219-T223 PolarHBondContact O-OG1 2.93Å |
| 220 | L | 97.1 | Very high | 96.4 | Very high | 106 Ų | 106 | 105.6 Ų | 105.6 | 56% | 0.555 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.7 | -46.9 | 178.7 | -177 | 65.5 | 0 | 0 | 0 | 112 | Q216 K217 K218 T223 Q224 | Q216-L220 PolarHBondContact O-N 2.88Å; Q216-L220 VanDerWaalsContact O-N 3.13Å; K217-L220 PolarHBondContact O-N 3.34Å; K218-L220 VanDerWaalsContact C-N 3.3Å; K218-L220 PolarHBondContact O-N 2.94Å; L220-T223 PolarHBondContact O-N 3.33Å; L220-Q224 WeakPolarHBondContact O-CG 3.43Å; L220-Q224 PolarHBondContact O-N 2.92Å |
| 221 | M | 96.9 | Very high | 96.1 | Very high | 105 Ų | 105 | 104 Ų | 104 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 178.7 | -71.6 | -173.3 | 71.1 | 0 | 0 | 112.1 | K217 K218 T223 Q224 Q225 | K217-M221 HydrophobicContact CG-SD 4.46Å; K217-M221 WeakPolarHBondContact O-CG 3.02Å; K217-M221 PolarHBondContact O-N 2.91Å; K218-M221 PolarHBondContact O-N 3.43Å; M221-T223 VanDerWaalsContact C-N 3.32Å; M221-T223 PolarHBondContact O-N 2.89Å; M221-Q224 PolarHBondContact O-N 2.92Å; M221-Q225 WeakPolarHBondContact O-CB 3.5Å; M221-Q225 PolarHBondContact O-N 3.45Å |
| 222 | D | 96.6 | Very high | 95.8 | Very high | 86 Ų | 86 | 104.8 Ų | 104.8 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 179 | -71.3 | -13.8 | 0 | 0 | 0 | 111 | K218 Q225 Q226 | K218-D222 WeakPolarHBondContact O-CB 3.43Å; K218-D222 PolarHBondContact O-N 2.89Å; D222-Q225 PolarHBondContact O-N 3.47Å; D222-Q226 WeakPolarHBondContact O-CB 3.5Å; D222-Q226 PolarHBondContact O-N 3.36Å |
| 223 | T | 96 | Very high | 95.4 | Very high | 70 Ų | 70 | 106.4 Ų | 106.4 | 43% | 0.429 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -48 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | I219 L220 M221 Q225 Q226 E227 | I219-T223 WeakPolarHBondContact O-CB 3.29Å; I219-T223 PolarHBondContact O-N 3.44Å; I219-T223 PolarHBondContact O-OG1 2.93Å; L220-T223 PolarHBondContact O-N 3.33Å; M221-T223 VanDerWaalsContact C-N 3.32Å; M221-T223 PolarHBondContact O-N 2.89Å; T223-Q225 VanDerWaalsContact C-N 3.29Å; T223-Q225 PolarHBondContact O-N 3.37Å; T223-Q226 WeakPolarHBondContact O-CB 3.43Å; T223-Q226 PolarHBondContact O-N 2.92Å; T223-E227 PolarHBondContact O-N 3.44Å |
| 224 | Q | 94.7 | Very high | 95 | Very high | 108 Ų | 108 | 106.6 Ų | 106.6 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 176.1 | -76.2 | -179.8 | -14.2 | 0 | 0 | 112.1 | L220 M221 E227 M228 | L220-Q224 WeakPolarHBondContact O-CG 3.43Å; L220-Q224 PolarHBondContact O-N 2.92Å; M221-Q224 PolarHBondContact O-N 2.92Å; Q224-E227 PolarHBondContact O-N 3.25Å; Q224-M228 WeakPolarHBondContact O-CB 3.3Å; Q224-M228 WeakPolarHBondContact O-CG 3.29Å; Q224-M228 PolarHBondContact O-N 3.31Å |
| 225 | Q | 94.9 | Very high | 94.6 | Very high | 133 Ų | 133 | 106.3 Ų | 106.3 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.1 | -38.9 | 178.6 | -171 | 159.1 | -8.2 | 0 | 0 | 111.7 | M221 D222 T223 A229 | M221-Q225 WeakPolarHBondContact O-CB 3.5Å; M221-Q225 PolarHBondContact O-N 3.45Å; D222-Q225 PolarHBondContact O-N 3.47Å; T223-Q225 VanDerWaalsContact C-N 3.29Å; T223-Q225 PolarHBondContact O-N 3.37Å; Q225-A229 WeakPolarHBondContact O-CB 3.39Å; Q225-A229 PolarHBondContact O-N 3.3Å |
| 226 | Q | 94.7 | Very high | 93.9 | Very high | 128 Ų | 128 | 107.4 Ų | 107.4 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.8 | -43.4 | 173.6 | -176.7 | 64.8 | 11.5 | 0 | 0 | 112.2 | D222 T223 A229 T230 | D222-Q226 WeakPolarHBondContact O-CB 3.5Å; D222-Q226 PolarHBondContact O-N 3.36Å; T223-Q226 WeakPolarHBondContact O-CB 3.43Å; T223-Q226 PolarHBondContact O-N 2.92Å; Q226-A229 PolarHBondContact O-N 3.5Å; Q226-T230 WeakPolarHBondContact O-CB 3.47Å; Q226-T230 PolarHBondContact O-N 2.97Å; Q226-T230 PolarHBondContact O-OG1 3.22Å |
| 227 | E | 94.3 | Very high | 93.3 | Very high | 125 Ų | 125 | 104.4 Ų | 104.4 | 58% | 0.584 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.8 | -47.8 | 174.8 | -74.3 | -174.3 | 169.7 | 0 | 0 | 111.3 | T223 Q224 A229 T230 V231 | T223-E227 PolarHBondContact O-N 3.44Å; Q224-E227 PolarHBondContact O-N 3.25Å; E227-A229 VanDerWaalsContact C-N 3.33Å; E227-A229 PolarHBondContact O-N 2.89Å; E227-T230 WeakPolarHBondContact O-CA 3.32Å; E227-T230 WeakPolarHBondContact O-CB 3.36Å; E227-T230 PolarHBondContact O-N 2.85Å; E227-T230 VanDerWaalsContact O-N 3.09Å; E227-V231 WeakPolarHBondContact O-CG2 3.32Å; E227-V231 PolarHBondContact O-N 2.97Å |
| 228 | M | 94 | Very high | 92.5 | Very high | 113 Ų | 113 | 104.5 Ų | 104.5 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.6 | -40 | 176.5 | -77.3 | -70.2 | -174.7 | 0 | 0 | 112.6 | Q224 T230 V231 R232 | Q224-M228 WeakPolarHBondContact O-CB 3.3Å; Q224-M228 WeakPolarHBondContact O-CG 3.29Å; Q224-M228 PolarHBondContact O-N 3.31Å; M228-T230 VanDerWaalsContact C-N 3.32Å; M228-V231 PolarHBondContact O-N 3.39Å; M228-R232 WeakPolarHBondContact O-CG 3.4Å; M228-R232 PolarHBondContact O-N 3.28Å |
| 229 | A | 92.7 | Very high | 91.3 | Very high | 36 Ų | 36 | 105 Ų | 105 | 30% | 0.298 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q225 Q226 E227 R232 K233 | Q225-A229 WeakPolarHBondContact O-CB 3.39Å; Q225-A229 PolarHBondContact O-N 3.3Å; Q226-A229 PolarHBondContact O-N 3.5Å; E227-A229 VanDerWaalsContact C-N 3.33Å; E227-A229 PolarHBondContact O-N 2.89Å; A229-R232 PolarHBondContact O-N 2.97Å; A229-K233 PolarHBondContact O-N 2.84Å |
| 230 | T | 93.1 | Very high | 89.5 | Confident | 70 Ų | 70 | 111.4 Ų | 111.4 | 43% | 0.429 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.1 | -49.1 | 175.5 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | Q226 E227 M228 R232 K233 S234 | Q226-T230 WeakPolarHBondContact O-CB 3.47Å; Q226-T230 PolarHBondContact O-N 2.97Å; Q226-T230 PolarHBondContact O-OG1 3.22Å; E227-T230 WeakPolarHBondContact O-CA 3.32Å; E227-T230 WeakPolarHBondContact O-CB 3.36Å; E227-T230 PolarHBondContact O-N 2.85Å; E227-T230 VanDerWaalsContact O-N 3.09Å; M228-T230 VanDerWaalsContact C-N 3.32Å; T230-R232 PolarHBondContact O-N 2.83Å; T230-K233 WeakPolarHBondContact O-CB 3.43Å; T230-K233 PolarHBondContact O-N 3.03Å; T230-K233 VanDerWaalsContact O-N 3.17Å; T230-S234 PolarHBondContact O-N 3.48Å; T230-S234 PolarHBondContact O-OG 2.95Å |
| 231 | V | 91.9 | Very high | 89.1 | Confident | 78 Ų | 78 | 111.7 Ų | 111.7 | 47% | 0.473 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -57.7 | -45.5 | 176.1 | 172 | 0 | 0 | 0 | 0 | 111.5 | E227 M228 K233 S234 L235 | E227-V231 WeakPolarHBondContact O-CG2 3.32Å; E227-V231 PolarHBondContact O-N 2.97Å; M228-V231 PolarHBondContact O-N 3.39Å; V231-K233 PolarHBondContact O-N 3.44Å; V231-S234 PolarHBondContact O-N 3.31Å; V231-L235 HydrophobicContact CG1-CD1 3.82Å; V231-L235 HydrophobicContact CG1-CG 4.39Å; V231-L235 WeakPolarHBondContact O-CB 3.39Å; V231-L235 WeakPolarHBondContact O-CG 3.47Å; V231-L235 PolarHBondContact O-N 2.98Å |
| 232 | R | 91.6 | Very high | 88.7 | Confident | 157 Ų | 157 | 112 Ų | 112 | 59% | 0.592 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.6 | -44.9 | 176 | -75.4 | -173.4 | -150.9 | 116.1 | 2.9 | 112.1 | M228 A229 T230 L235 Q236 | M228-R232 WeakPolarHBondContact O-CG 3.4Å; M228-R232 PolarHBondContact O-N 3.28Å; A229-R232 PolarHBondContact O-N 2.97Å; T230-R232 PolarHBondContact O-N 2.83Å; R232-L235 PolarHBondContact O-N 3.22Å; R232-Q236 WeakPolarHBondContact O-CB 3.13Å; R232-Q236 PolarHBondContact O-N 3.03Å |
| 233 | K | 91.3 | Very high | 88.3 | Confident | 156 Ų | 156 | 113.4 Ų | 113.4 | 68% | 0.678 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.8 | -47.6 | 175.7 | -85.3 | -177.7 | 175.2 | -179.9 | 0 | 111.4 | A229 T230 V231 L235 Q236 S237 | A229-K233 PolarHBondContact O-N 2.84Å; T230-K233 WeakPolarHBondContact O-CB 3.43Å; T230-K233 PolarHBondContact O-N 3.03Å; T230-K233 VanDerWaalsContact O-N 3.17Å; V231-K233 PolarHBondContact O-N 3.44Å; K233-L235 VanDerWaalsContact C-N 3.34Å; K233-L235 PolarHBondContact O-N 3.39Å; K233-Q236 PolarHBondContact O-N 3.04Å; K233-S237 PolarHBondContact O-N 3.22Å; K233-S237 PolarHBondContact O-OG 3.49Å |
| 234 | S | 89.6 | Confident | 87.8 | Confident | 59 Ų | 59 | 116 Ų | 116 | 41% | 0.413 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.6 | -41.4 | 178.5 | -52.2 | 0 | 0 | 0 | 0 | 112.4 | T230 V231 S237 M238 | T230-S234 PolarHBondContact O-N 3.48Å; T230-S234 PolarHBondContact O-OG 2.95Å; V231-S234 PolarHBondContact O-N 3.31Å; S234-S237 WeakPolarHBondContact CA-OG 3.43Å; S234-S237 PolarHBondContact O-OG 3.07Å; S234-M238 WeakPolarHBondContact O-CG 3.35Å; S234-M238 PolarHBondContact O-N 3.27Å |
| 235 | L | 88.1 | Confident | 87.4 | Confident | 87 Ų | 87 | 116.5 Ų | 116.5 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.7 | -42.2 | 175.5 | -74 | 167.5 | 0 | 0 | 0 | 112.1 | V231 R232 K233 S237 M238 L239 | V231-L235 HydrophobicContact CG1-CD1 3.82Å; V231-L235 HydrophobicContact CG1-CG 4.39Å; V231-L235 WeakPolarHBondContact O-CB 3.39Å; V231-L235 WeakPolarHBondContact O-CG 3.47Å; V231-L235 PolarHBondContact O-N 2.98Å; R232-L235 PolarHBondContact O-N 3.22Å; K233-L235 VanDerWaalsContact C-N 3.34Å; K233-L235 PolarHBondContact O-N 3.39Å; L235-S237 VanDerWaalsContact C-N 3.35Å; L235-S237 PolarHBondContact O-N 3.19Å; L235-M238 HydrophobicContact CD2-CE 3.82Å; L235-M238 PolarHBondContact O-N 3.03Å; L235-M238 VanDerWaalsContact O-N 3.12Å; L235-L239 PolarHBondContact O-N 3.42Å |
| 236 | Q | 84.6 | Confident | 86.9 | Confident | 124 Ų | 124 | 115.4 Ų | 115.4 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60 | -43.4 | 175.3 | -98.9 | 179.4 | -28.5 | 0 | 0 | 112.1 | R232 K233 M238 L239 F240 | R232-Q236 WeakPolarHBondContact O-CB 3.13Å; R232-Q236 PolarHBondContact O-N 3.03Å; K233-Q236 PolarHBondContact O-N 3.04Å; Q236-M238 PolarHBondContact O-N 3.18Å; Q236-L239 PolarHBondContact O-N 3.39Å; Q236-L239 VanDerWaalsContact O-N 3.13Å; Q236-F240 PolarHBondContact O-N 2.98Å |
| 237 | S | 84.9 | Confident | 86.3 | Confident | 82 Ų | 82 | 114.5 Ų | 114.5 | 57% | 0.573 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.3 | -9.8 | 176.3 | 54.2 | 0 | 0 | 0 | 0 | 114.8 | K233 S234 L235 | K233-S237 PolarHBondContact O-N 3.22Å; K233-S237 PolarHBondContact O-OG 3.49Å; S234-S237 WeakPolarHBondContact CA-OG 3.43Å; S234-S237 PolarHBondContact O-OG 3.07Å; L235-S237 VanDerWaalsContact C-N 3.35Å; L235-S237 PolarHBondContact O-N 3.19Å |
| 238 | M | 79.9 | Confident | 85.7 | Confident | 145 Ų | 145 | 113.7 Ų | 113.7 | 71% | 0.714 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -95.9 | -19.1 | 171.8 | -71.6 | -165.4 | -65.6 | 0 | 0 | 112.9 | S234 L235 Q236 | S234-M238 WeakPolarHBondContact O-CG 3.35Å; S234-M238 PolarHBondContact O-N 3.27Å; L235-M238 HydrophobicContact CD2-CE 3.82Å; L235-M238 PolarHBondContact O-N 3.03Å; L235-M238 VanDerWaalsContact O-N 3.12Å; Q236-M238 PolarHBondContact O-N 3.18Å |
| 239 | L | 73.9 | Confident | 85 | Confident | 141 Ų | 141 | 113.8 Ų | 113.8 | 74% | 0.738 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -100.5 | -11.8 | -176.3 | -72.3 | 168.3 | 0 | 0 | 0 | 113.4 | L235 Q236 | L235-L239 PolarHBondContact O-N 3.42Å; Q236-L239 PolarHBondContact O-N 3.39Å; Q236-L239 VanDerWaalsContact O-N 3.13Å |
| 240 | F | 58.5 | Low | 84.3 | Confident | 230 Ų | 230 | 120.8 Ų | 120.8 | 100% | 1.009 | 61% | 0.605 | S | S | * | * | trans | -134.9 | 0 | 172.9 | -66.5 | -79 | 0 | 0 | 0 | 109.4 | Q236 | Q236-F240 PolarHBondContact O-N 2.98Š|
Retrieved 240 of 240 residues in 37.9 ms
(Link to these results)