| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.7 | Very low | 43.7 | Very low | 242 Ų | 242 | 178.9 Ų | 178.9 | 100% | 1.192 | 86% | 0.861 | S | S | * | * | 0 | 112.8 | 0 | -72.6 | 176.6 | -172.4 | 0 | 0 | 108.8 | K3 | M1-K3 PolarHBondContact O-N 3.37Š| |||
| 2 | R | 41.7 | Very low | 44.4 | Very low | 248 Ų | 248 | 170 Ų | 170 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | trans | -76 | 117.3 | 179.3 | -74.5 | 179.5 | 179.6 | 141 | -0.6 | 109.2 | M4 | R2-M4 PolarHBondContact O-N 3.35Š| ||
| 3 | K | 41.7 | Very low | 44.9 | Very low | 207 Ų | 207 | 162.7 Ų | 162.7 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | trans | -70.6 | 107 | 168.8 | -72 | -177.8 | 175.8 | -178.8 | 0 | 108.1 | M1 A5 | M1-K3 PolarHBondContact O-N 3.37Å; K3-A5 PolarHBondContact O-N 3.08Å | ||
| 4 | M | 42.1 | Very low | 45.8 | Very low | 184 Ų | 184 | 163.4 Ų | 163.4 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -71.9 | 106.9 | 167 | -73.3 | -102.2 | -118.5 | 0 | 0 | 107.5 | R2 L6 | R2-M4 PolarHBondContact O-N 3.35Å; M4-L6 PolarHBondContact O-N 3.31Å | ||
| 5 | A | 43.2 | Very low | 46.3 | Very low | 75 Ų | 75 | 162.3 Ų | 162.3 | 62% | 0.62 | 78% | 0.784 | S | S | * | * | trans | -74.4 | 108.2 | 174 | 0 | 0 | 0 | 0 | 0 | 108.8 | K3 K7 | K3-A5 PolarHBondContact O-N 3.08Å; A5-K7 HydrophobicContact CB-CG 4.13Å; A5-K7 PolarHBondContact O-N 3.46Å | ||
| 6 | L | 44.4 | Very low | 46.5 | Very low | 173 Ų | 173 | 154.9 Ų | 154.9 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | trans | -65.8 | 76.5 | 162.7 | -83.2 | 153.3 | 0 | 0 | 0 | 108.3 | M4 K8 | M4-L6 PolarHBondContact O-N 3.31Å; L6-K8 PolarHBondContact O-N 3.38Å | ||
| 7 | K | 45.2 | Very low | 46.8 | Very low | 181 Ų | 181 | 152.4 Ų | 152.4 | 79% | 0.787 | 74% | 0.735 | S | S | * | * | trans | -79 | 108.3 | 171.6 | -76.1 | -176.6 | 178.7 | -179.3 | 0 | 107.9 | A5 | A5-K7 HydrophobicContact CB-CG 4.13Å; A5-K7 PolarHBondContact O-N 3.46Å | ||
| 8 | K | 43.1 | Very low | 46.9 | Very low | 190 Ų | 190 | 149.7 Ų | 149.7 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | trans | 75.1 | 75.4 | 157.7 | -51.2 | -171 | 179.6 | -172.7 | 0 | 116 | L6 K10 | L6-K8 PolarHBondContact O-N 3.38Å; K8-K10 PolarHBondContact O-N 3.33Å | ||
| 9 | L | 38.6 | Very low | 47.2 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | -71.3 | 100.5 | 144.4 | -138.8 | 81.9 | 0 | 0 | 0 | 106.1 | V11 | L9-V11 PolarHBondContact O-N 3.28Å; L9-V11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | K | 50 | Low | 47.4 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | -62 | 114.6 | 166.1 | -97.3 | 177.7 | 171.8 | 178.2 | 0 | 106.1 | K8 I12 | K8-K10 PolarHBondContact O-N 3.33Å; K10-I12 PolarHBondContact O-N 3.32Å; K10-I12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | V | 48.2 | Very low | 47.5 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 81% | 0.812 | 70% | 0.7 | S | S | * | * | trans | -62.6 | 108.3 | 168.4 | 176.2 | 0 | 0 | 0 | 0 | 106.2 | L9 | L9-V11 PolarHBondContact O-N 3.28Å; L9-V11 VanDerWaalsContact O-N 3.15Å | ||
| 12 | I | 52.2 | Low | 47.8 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 37% | 0.369 | 67% | 0.672 | S | S | . | * | trans | -77.4 | 124.3 | 173.7 | -62.8 | 172.2 | 0 | 0 | 0 | 106.2 | K10 S16 Y17 | K10-I12 PolarHBondContact O-N 3.32Å; K10-I12 VanDerWaalsContact O-N 3.08Å; I12-S16 WeakPolarHBondContact CG2-OG 3.44Å; I12-Y17 HydrophobicContact CB-CE2 3.97Å; I12-Y17 HydrophobicContact CG2-CD2 4.19Å; I12-Y17 HydrophobicContact CG2-CE1 4.45Å; I12-Y17 HydrophobicContact CG2-CE2 3.74Å | ||
| 13 | P | 50.4 | Low | 48.2 | Very low | 75 Ų | 75 | 133.4 Ų | 133.4 | 49% | 0.487 | 66% | 0.663 | S | S | . | * | trans | -57.4 | 146.1 | 176.9 | -21.9 | 32.2 | 0 | 0 | 0 | 111.1 | E15 S16 | P13-E15 WeakPolarHBondContact CB-OE2 3.37Å; P13-E15 PolarHBondContact O-N 3.07Å; P13-E15 VanDerWaalsContact O-N 3.1Å; P13-S16 WeakPolarHBondContact O-CB 3.5Å; P13-S16 PolarHBondContact O-N 3.45Å | ||
| 14 | K | 57.1 | Low | 48.3 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -58.1 | -26.3 | -179.3 | -72 | -178.9 | 177.9 | 179.2 | 0 | 112.3 | S16 | K14-S16 VanDerWaalsContact C-N 3.3Å; K14-S16 PolarHBondContact O-N 3Å |
| 15 | E | 53.5 | Low | 48.7 | Very low | 148 Ų | 148 | 129 Ų | 129 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -74.9 | -16 | 176.8 | -52.8 | 86.5 | -164.4 | 0 | 0 | 113.6 | P13 | P13-E15 WeakPolarHBondContact CB-OE2 3.37Å; P13-E15 PolarHBondContact O-N 3.07Å; P13-E15 VanDerWaalsContact O-N 3.1Å |
| 16 | S | 49.2 | Very low | 49.1 | Very low | 43 Ų | 43 | 132.6 Ų | 132.6 | 30% | 0.301 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -86.3 | -12.5 | -177.4 | 171.9 | 0 | 0 | 0 | 0 | 114.2 | I12 P13 K14 L18 | I12-S16 WeakPolarHBondContact CG2-OG 3.44Å; P13-S16 WeakPolarHBondContact O-CB 3.5Å; P13-S16 PolarHBondContact O-N 3.45Å; K14-S16 VanDerWaalsContact C-N 3.3Å; K14-S16 PolarHBondContact O-N 3Å; S16-L18 VanDerWaalsContact C-N 3.31Å |
| 17 | Y | 51.5 | Low | 49.5 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 44% | 0.439 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -76.4 | -19.7 | -179.7 | -71.8 | -84.2 | 0 | 0 | 0 | 113.2 | I12 | I12-Y17 HydrophobicContact CB-CE2 3.97Å; I12-Y17 HydrophobicContact CG2-CD2 4.19Å; I12-Y17 HydrophobicContact CG2-CE1 4.45Å; I12-Y17 HydrophobicContact CG2-CE2 3.74Å |
| 18 | L | 49.7 | Very low | 49.7 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 55% | 0.55 | 65% | 0.648 | S | S | . | * | G | 310 helix | trans | -79.3 | -20.7 | 176.5 | -70.4 | 174.3 | 0 | 0 | 0 | 113 | S16 L20 | S16-L18 VanDerWaalsContact C-N 3.31Å; L18-L20 PolarHBondContact O-N 3.35Å |
| 19 | L | 52.2 | Low | 50 | Low | 119 Ų | 119 | 127.4 Ų | 127.4 | 62% | 0.623 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -81.9 | -7.4 | -178.3 | -79.3 | 161.6 | 0 | 0 | 0 | 114.4 | ||
| 20 | L | 50.8 | Low | 50.5 | Low | 130 Ų | 130 | 127.3 Ų | 127.3 | 68% | 0.681 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -91.1 | 0.4 | -174.4 | -84.2 | 162.9 | 0 | 0 | 0 | 114.2 | L18 | L18-L20 PolarHBondContact O-N 3.35Š|
| 21 | L | 50.3 | Low | 50.5 | Low | 64 Ų | 64 | 127.5 Ų | 127.5 | 34% | 0.335 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -126.7 | 13.9 | 177.1 | -68.5 | 171.8 | 0 | 0 | 0 | 113 | F23 N151 | L21-F23 HydrophobicContact CD2-CE2 4.21Å; L21-F23 PolarHBondContact O-N 3.18Å; L21-N151 WeakPolarHBondContact CD1-OD1 3.46Å |
| 22 | D | 48.7 | Very low | 50.2 | Low | 114 Ų | 114 | 127 Ų | 127 | 61% | 0.61 | 64% | 0.644 | S | S | * | * | trans | -77 | 86.1 | 160.5 | -62.4 | -27.1 | 0 | 0 | 0 | 105.8 | D24 | D22-D24 PolarHBondContact O-N 2.95Å; D22-D24 VanDerWaalsContact O-N 3.14Å | ||
| 23 | F | 49.4 | Very low | 49.8 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 75% | 0.746 | 66% | 0.66 | S | S | * | * | trans | -62.7 | 111.8 | 163.5 | -75.4 | -87.9 | 0 | 0 | 0 | 106.6 | L21 D25 | L21-F23 HydrophobicContact CD2-CE2 4.21Å; L21-F23 PolarHBondContact O-N 3.18Å; F23-D25 PolarHBondContact O-N 2.76Å; F23-D25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | D | 45.1 | Very low | 49.5 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | trans | -1.4 | 95.2 | 165.8 | -64.9 | -40 | 0 | 0 | 0 | 114.5 | D22 E26 | D22-D24 PolarHBondContact O-N 2.95Å; D22-D24 VanDerWaalsContact O-N 3.14Å; D24-E26 HydrophobicContact CB-CG 4.39Å; D24-E26 PolarHBondContact O-N 3.24Å; D24-E26 VanDerWaalsContact O-N 3.17Å | ||
| 25 | D | 50.1 | Low | 48.7 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 85% | 0.85 | 69% | 0.685 | S | S | * | * | trans | -78.5 | 73.2 | 144.6 | -79.5 | -29.6 | 0 | 0 | 0 | 105.2 | F23 D27 | F23-D25 PolarHBondContact O-N 2.76Å; F23-D25 VanDerWaalsContact O-N 3.14Å; D25-D27 PolarHBondContact O-N 3.4Å | ||
| 26 | E | 52.1 | Low | 48 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 70% | 0.696 | 69% | 0.69 | S | S | * | * | trans | -59.7 | 116.7 | 151.6 | -83.2 | -79.5 | 171.1 | 0 | 0 | 104.9 | D24 D28 | D24-E26 HydrophobicContact CB-CG 4.39Å; D24-E26 PolarHBondContact O-N 3.24Å; D24-E26 VanDerWaalsContact O-N 3.17Å; E26-D28 PolarHBondContact O-N 2.98Å | ||
| 27 | D | 51.9 | Low | 47.4 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | trans | -59.4 | 71.1 | 167.3 | -69.6 | -56.7 | 0 | 0 | 0 | 109.1 | D25 D29 | D25-D27 PolarHBondContact O-N 3.4Å; D27-D29 PolarHBondContact O-N 3.04Å | ||
| 28 | D | 49 | Very low | 47.3 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | -72.2 | 92.2 | 159.9 | -89.5 | -24.3 | 0 | 0 | 0 | 106 | E26 I30 | E26-D28 PolarHBondContact O-N 2.98Å; D28-I30 PolarHBondContact O-N 2.97Å | ||
| 29 | D | 51.1 | Low | 46.9 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | -46.6 | 85.5 | 160.6 | -82.4 | -40.9 | 0 | 0 | 0 | 109.3 | D27 K31 | D27-D29 PolarHBondContact O-N 3.04Å; D29-K31 PolarHBondContact O-N 3.38Å | ||
| 30 | I | 49 | Very low | 46.5 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | trans | -71.5 | 83.3 | 165.7 | -55.4 | 177.1 | 0 | 0 | 0 | 105.8 | D28 V32 | D28-I30 PolarHBondContact O-N 2.97Å; I30-V32 HydrophobicContact CG2-CG2 3.95Å; I30-V32 PolarHBondContact O-N 2.92Å | ||
| 31 | K | 48.3 | Very low | 46.3 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | -58.2 | 92.5 | 158.5 | -120.5 | -171.6 | -179 | -170.5 | 0 | 106.6 | D29 S33 | D29-K31 PolarHBondContact O-N 3.38Å; K31-S33 PolarHBondContact O-N 3.21Å | ||
| 32 | V | 43.3 | Very low | 46 | Very low | 124 Ų | 124 | 149 Ų | 149 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -67.2 | 89.5 | 164.7 | 176.1 | 0 | 0 | 0 | 0 | 106.3 | I30 E34 | I30-V32 HydrophobicContact CG2-CG2 3.95Å; I30-V32 PolarHBondContact O-N 2.92Å; V32-E34 PolarHBondContact O-N 3.35Å | ||
| 33 | S | 43.6 | Very low | 45.7 | Very low | 101 Ų | 101 | 149.2 Ų | 149.2 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -67.3 | 112.4 | 163.1 | 40.2 | 0 | 0 | 0 | 0 | 107.8 | K31 E35 | K31-S33 PolarHBondContact O-N 3.21Å; S33-E35 PolarHBondContact O-N 3.32Å | ||
| 34 | E | 43.6 | Very low | 45 | Very low | 192 Ų | 192 | 145.6 Ų | 145.6 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -64.8 | 71.1 | 172.9 | -173.3 | -178.3 | 177.3 | 0 | 0 | 110.3 | V32 | V32-E34 PolarHBondContact O-N 3.35Š|
| 35 | E | 39.7 | Very low | 45.1 | Very low | 185 Ų | 185 | 149.3 Ų | 149.3 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -164.6 | 80.1 | 175.4 | -126.9 | 175.2 | -172 | 0 | 0 | 111.3 | S33 | S33-E35 PolarHBondContact O-N 3.32Š| ||
| 36 | A | 40 | Very low | 44.8 | Very low | 96 Ų | 96 | 148 Ų | 148 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | 178.1 | 78.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 37 | L | 35.5 | Very low | 44.4 | Very low | 185 Ų | 185 | 149.5 Ų | 149.5 | 97% | 0.969 | 81% | 0.808 | S | S | * | * | trans | -90.3 | 90.9 | 156.1 | -72.3 | 174.8 | 0 | 0 | 0 | 108 | ||||
| 38 | S | 49.9 | Very low | 43.8 | Very low | 97 Ų | 97 | 149.6 Ų | 149.6 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | -161.4 | 120.8 | 155.2 | 52 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 39 | E | 41.8 | Very low | 43.5 | Very low | 191 Ų | 191 | 151.4 Ų | 151.4 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | 46.5 | 91 | 146.4 | -71.4 | 175.4 | 137.3 | 0 | 0 | 118.6 | ||||
| 40 | V | 43.8 | Very low | 43 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 87% | 0.873 | 81% | 0.812 | S | S | * | * | trans | -130.3 | 111.2 | 144.7 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 41 | K | 46.3 | Very low | 42.8 | Very low | 197 Ų | 197 | 151.9 Ų | 151.9 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -59.8 | 120.1 | 172.1 | -170.3 | 171.1 | -176.2 | 173.5 | 0 | 110.6 | ||||
| 42 | S | 44.8 | Very low | 42.3 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -69 | 141.8 | 175.4 | -34.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 43 | P | 40.8 | Very low | 42.4 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -110.6 | 136.3 | 150.6 | 30.6 | -17.9 | 0 | 0 | 0 | 110.9 | ||||
| 44 | A | 35.5 | Very low | 42.3 | Very low | 94 Ų | 94 | 151.7 Ų | 151.7 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -61.2 | 147.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 45 | F | 46.6 | Very low | 41.9 | Very low | 218 Ų | 218 | 146.2 Ų | 146.2 | 96% | 0.956 | 81% | 0.808 | S | S | * | * | trans | -135.5 | 131.4 | 154.1 | -105.2 | -86.8 | 0 | 0 | 0 | 110.9 | ||||
| 46 | D | 43.8 | Very low | 42 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -76.5 | 137.3 | -177.4 | -94 | -59.3 | 0 | 0 | 0 | 113.4 | ||||
| 47 | K | 44.4 | Very low | 41.9 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | 42.4 | 121.4 | 135.3 | -59.7 | 175.7 | -172.5 | 167.4 | 0 | 121.9 | ||||
| 48 | N | 38.5 | Very low | 42.3 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | 132.5 | 138.3 | 142.9 | 72.8 | 22.1 | 0 | 0 | 0 | 108.2 | ||||
| 49 | E | 43 | Very low | 42 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | cis | -159.4 | 127.2 | 38.8 | -134.6 | 166.1 | -165.6 | 0 | 0 | 108.3 | ||||
| 50 | N | 41.4 | Very low | 42.1 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | 11.7 | 106.7 | 147 | -152.9 | 5.8 | 0 | 0 | 0 | 119.3 | ||||
| 51 | I | 44.6 | Very low | 42.4 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | trans | -157.4 | 114 | 138.1 | -79.5 | 125 | 0 | 0 | 0 | 106.9 | ||||
| 52 | S | 38.1 | Very low | 42 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -101 | 147.7 | 157.9 | -69.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 53 | P | 45.1 | Very low | 41.8 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | -122.8 | 122.4 | 112.7 | 6.2 | 14 | 0 | 0 | 0 | 109.3 | |||||
| 54 | Q | 41 | Very low | 42 | Very low | 186 Ų | 186 | 145.3 Ų | 145.3 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | 23.9 | 135.1 | 104.7 | -82.8 | -175.5 | -91 | 0 | 0 | 114.7 | |||||
| 55 | A | 35 | Very low | 42.7 | Very low | 78 Ų | 78 | 145.6 Ų | 145.6 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | cis | 176.9 | 119.1 | -9.8 | 0 | 0 | 0 | 0 | 0 | 101.8 | ||||
| 56 | E | 41.3 | Very low | 42.5 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -140.5 | 105.9 | 145.7 | -71.2 | -149.2 | -174.7 | 0 | 0 | 106.9 | D58 | E56-D58 PolarHBondContact O-N 3.15Š| ||
| 57 | A | 37.5 | Very low | 42.5 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -75.5 | 103.8 | 168 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 58 | D | 45.1 | Very low | 42.5 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -100.1 | 97.4 | 156.5 | -82.5 | -20.3 | 0 | 0 | 0 | 107.4 | E56 D60 | E56-D58 PolarHBondContact O-N 3.15Å; D58-D60 PolarHBondContact O-N 2.98Å | ||
| 59 | E | 43.2 | Very low | 42.6 | Very low | 184 Ų | 184 | 144.8 Ų | 144.8 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -52.9 | 115.8 | 154.8 | -56.8 | -179.5 | 165.1 | 0 | 0 | 108.3 | ||||
| 60 | D | 44.7 | Very low | 42.3 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -162.3 | 109.6 | 156.6 | -145.9 | 21.6 | 0 | 0 | 0 | 113.1 | D58 | D58-D60 PolarHBondContact O-N 2.98Š| ||
| 61 | M | 49.1 | Very low | 42.3 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | 50.8 | 83.3 | 156.6 | -48.8 | -38.4 | -136.4 | 0 | 0 | 119.5 | ||||
| 62 | G | 39.2 | Very low | 42.4 | Very low | 75 Ų | 75 | 142.6 Ų | 142.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | -82.1 | 97.9 | 129.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 63 | D | 40 | Very low | 42.4 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | 177.1 | 91.1 | 161.4 | -92.2 | -17.8 | 0 | 0 | 0 | 109.8 | ||||
| 64 | E | 45.7 | Very low | 42.1 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 167.5 | 103.8 | 158.6 | -109.8 | -177.6 | 147.1 | 0 | 0 | 105.3 | ||||
| 65 | V | 49.3 | Very low | 42.3 | Very low | 100 Ų | 100 | 142.3 Ų | 142.3 | 61% | 0.606 | 79% | 0.787 | S | S | * | * | -171 | 82.4 | 67.2 | -81.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 66 | D | 41.8 | Very low | 42.8 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 96% | 0.963 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -106.9 | 20.9 | 171.4 | -126.4 | 1.3 | 0 | 0 | 0 | 112.3 | ||
| 67 | S | 45.3 | Very low | 43.2 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -131.4 | 53.5 | -171.7 | 71.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 68 | M | 43.1 | Very low | 43.4 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | trans | -145.1 | 14.3 | 163 | -91.1 | -160.5 | 132 | 0 | 0 | 115.1 | D70 | M68-D70 PolarHBondContact O-N 2.98Š| ||
| 69 | L | 40.4 | Very low | 43.3 | Very low | 186 Ų | 186 | 142 Ų | 142 | 97% | 0.974 | 79% | 0.786 | S | S | * | * | trans | -90 | 56 | 167 | -134.5 | 156.9 | 0 | 0 | 0 | 109.6 | ||||
| 70 | D | 36.9 | Very low | 43 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -138.8 | 137.6 | 168.7 | -168.7 | 19 | 0 | 0 | 0 | 107.7 | M68 | M68-D70 PolarHBondContact O-N 2.98Š| ||
| 71 | K | 42.9 | Very low | 43 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | 87.8 | 64.4 | -176.2 | -47 | 175.8 | -172.4 | -177 | 0 | 116.9 | ||||
| 72 | S | 44.8 | Very low | 42.7 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | -128.3 | 88.9 | 129.1 | 68.1 | 0 | 0 | 0 | 0 | 107.9 | V74 | S72-V74 PolarHBondContact O-N 2.63Å; S72-V74 VanDerWaalsContact O-N 3.15Å | |||
| 73 | E | 38.3 | Very low | 42.9 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -38.9 | 106.1 | 168.4 | -159.8 | 166.9 | -151.4 | 0 | 0 | 111.3 | N75 | E73-N75 VanDerWaalsContact C-N 3.26Å; E73-N75 PolarHBondContact O-N 2.92Å | ||
| 74 | V | 39.6 | Very low | 43.1 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | -71.8 | 87.9 | 165.4 | 178.1 | 0 | 0 | 0 | 0 | 106.7 | S72 N76 | S72-V74 PolarHBondContact O-N 2.63Å; S72-V74 VanDerWaalsContact O-N 3.15Å; V74-N76 HydrophobicContact CG1-CB 4.36Å; V74-N76 VanDerWaalsContact CG1-ND2 3.3Å; V74-N76 WeakPolarHBondContact CG1-ND2 3.4Å; V74-N76 PolarHBondContact O-N 3.38Å | ||
| 75 | N | 45 | Very low | 43.1 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 68% | 0.684 | 79% | 0.793 | S | S | * | * | trans | -71.7 | 80.9 | 167.5 | -88.7 | -42.4 | 0 | 0 | 0 | 109.4 | E73 P77 | E73-N75 VanDerWaalsContact C-N 3.26Å; E73-N75 PolarHBondContact O-N 2.92Å; N75-P77 WeakPolarHBondContact O-CD 3.39Å | ||
| 76 | N | 45.6 | Very low | 42.9 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -96.1 | 106.9 | 161.3 | -80.1 | -27.9 | 0 | 0 | 0 | 107.9 | V74 A78 | V74-N76 HydrophobicContact CG1-CB 4.36Å; V74-N76 VanDerWaalsContact CG1-ND2 3.3Å; V74-N76 WeakPolarHBondContact CG1-ND2 3.4Å; V74-N76 PolarHBondContact O-N 3.38Å; N76-A78 PolarHBondContact O-N 3.5Å | ||
| 77 | P | 49.6 | Very low | 42.9 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | trans | -72.9 | 101.7 | 173.1 | 27.5 | -28 | 0 | 0 | 0 | 108.9 | N75 | N75-P77 WeakPolarHBondContact O-CD 3.39Š| ||
| 78 | A | 42.8 | Very low | 42.7 | Very low | 87 Ų | 87 | 143.2 Ų | 143.2 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 120.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | N76 | N76-A78 PolarHBondContact O-N 3.5Š| ||
| 79 | I | 41.1 | Very low | 42.5 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 55.8 | 97.9 | 143.2 | -60.7 | 163.7 | 0 | 0 | 0 | 116.4 | K81 | I79-K81 HydrophobicContact CG2-CG 4.31Š| ||
| 80 | G | 38.5 | Very low | 42.8 | Very low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | -117.7 | 101.5 | 142.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | D82 | G80-D82 PolarHBondContact O-N 2.98Š| ||
| 81 | K | 43.4 | Very low | 43.1 | Very low | 194 Ų | 194 | 135.9 Ų | 135.9 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -71.3 | 111.2 | 166.2 | -70.8 | 178.7 | 178.8 | 179.5 | 0 | 106.8 | I79 | I79-K81 HydrophobicContact CG2-CG 4.31Š| ||
| 82 | D | 43.1 | Very low | 43.5 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | -145.9 | 143.2 | 150.7 | -138.9 | -13 | 0 | 0 | 0 | 110.2 | G80 | G80-D82 PolarHBondContact O-N 2.98Š| ||
| 83 | E | 44.4 | Very low | 44.1 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -82.2 | 150.7 | -157.9 | -62.2 | 176.8 | 153.1 | 0 | 0 | 112.6 | ||||
| 84 | N | 43.1 | Very low | 45.3 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | 79.4 | 97.5 | 145.7 | -145.4 | -19.2 | 0 | 0 | 0 | 117.6 | ||||
| 85 | I | 46.8 | Very low | 46.8 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | -158.3 | 120.4 | 126.1 | -84.6 | 136.9 | 0 | 0 | 0 | 108.4 | |||||
| 86 | S | 44.6 | Very low | 48.3 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | -69.5 | 158.7 | 178.5 | -158.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 87 | P | 41.4 | Very low | 50 | Low | 105 Ų | 105 | 134.5 Ų | 134.5 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | trans | -94.2 | 129.1 | -144.9 | 34.7 | -31.7 | 0 | 0 | 0 | 114 | V89 | P87-V89 PolarHBondContact O-N 3.18Š| ||
| 88 | Q | 41.5 | Very low | 51.6 | Low | 167 Ų | 167 | 133.2 Ų | 133.2 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | trans | -82.3 | 105.4 | 163.5 | -87.5 | -163.5 | 35.7 | 0 | 0 | 110.8 | K90 | Q88-K90 PolarHBondContact O-N 3.02Å; Q88-K90 VanDerWaalsContact O-N 3.12Å | ||
| 89 | V | 39.6 | Very low | 53.6 | Low | 134 Ų | 134 | 133.5 Ų | 133.5 | 81% | 0.812 | 71% | 0.709 | S | S | * | * | trans | -66.6 | 94.6 | 164.9 | 175.9 | 0 | 0 | 0 | 0 | 108.7 | P87 | P87-V89 PolarHBondContact O-N 3.18Š| ||
| 90 | K | 45.3 | Very low | 55.8 | Low | 173 Ų | 173 | 127.8 Ų | 127.8 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | trans | -139.6 | 120.2 | 162.3 | -86.6 | -176.6 | 176 | 175.9 | 0 | 108.7 | Q88 | Q88-K90 PolarHBondContact O-N 3.02Å; Q88-K90 VanDerWaalsContact O-N 3.12Å | ||
| 91 | G | 44.8 | Very low | 58.2 | Low | 48 Ų | 48 | 126.3 Ų | 126.3 | 50% | 0.495 | 66% | 0.664 | S | S | . | * | trans | 82.5 | 78.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116 | E93 | G91-E93 PolarHBondContact O-N 3.1Š| ||
| 92 | H | 51.3 | Low | 60.4 | Low | 180 Ų | 180 | 122 Ų | 122 | 83% | 0.833 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -12.2 | 170.9 | -152.5 | -75.9 | 0 | 0 | 0 | 112.8 | ||
| 93 | E | 56.9 | Low | 62.8 | Low | 166 Ų | 166 | 119.7 Ų | 119.7 | 78% | 0.776 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -27.1 | -178.5 | -66.7 | 178 | 171.4 | 0 | 0 | 113.7 | G91 G96 H97 | G91-E93 PolarHBondContact O-N 3.1Å; E93-G96 PolarHBondContact O-N 3.27Å; E93-H97 PolarHBondContact O-N 3.43Å; E93-H97 PolarHBondContact O-ND1 3.39Å |
| 94 | D | 64.1 | Low | 65.1 | Low | 122 Ų | 122 | 116.9 Ų | 116.9 | 65% | 0.652 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -76.8 | -39.2 | -176.3 | -164.2 | 19.9 | 0 | 0 | 0 | 111.7 | G96 H97 E98 | D94-G96 PolarHBondContact O-N 3.03Å; D94-H97 PolarHBondContact O-N 3.5Å; D94-H97 VanDerWaalsContact O-N 3.16Å; D94-E98 PolarHBondContact O-N 3.2Å |
| 95 | R | 69.3 | Low | 67.5 | Low | 153 Ų | 153 | 116.5 Ų | 116.5 | 58% | 0.577 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60 | -32.9 | 173.3 | -122.2 | -174.2 | -64.7 | -133.8 | -2 | 112.6 | I99 | R95-I99 WeakPolarHBondContact O-CB 3.36Å; R95-I99 WeakPolarHBondContact O-CD1 3.41Å; R95-I99 WeakPolarHBondContact O-CG1 3.42Å; R95-I99 PolarHBondContact O-N 2.98Å |
| 96 | G | 76.4 | Confident | 69.7 | Low | 45 Ų | 45 | 110.8 Ų | 110.8 | 46% | 0.464 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.2 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | E93 D94 G100 | E93-G96 PolarHBondContact O-N 3.27Å; D94-G96 PolarHBondContact O-N 3.03Å; G96-G100 PolarHBondContact O-N 3.26Å |
| 97 | H | 81.7 | Confident | 72 | Confident | 144 Ų | 144 | 107.5 Ų | 107.5 | 67% | 0.667 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.3 | -41.7 | 175.5 | -76.8 | 81.8 | 0 | 0 | 0 | 111.9 | E93 D94 G100 S101 | E93-H97 PolarHBondContact O-N 3.43Å; E93-H97 PolarHBondContact O-ND1 3.39Å; D94-H97 PolarHBondContact O-N 3.5Å; D94-H97 VanDerWaalsContact O-N 3.16Å; H97-G100 PolarHBondContact O-N 3.49Å; H97-S101 WeakPolarHBondContact O-CB 3.22Å; H97-S101 PolarHBondContact O-N 3.34Å |
| 98 | E | 83.5 | Confident | 74.6 | Confident | 103 Ų | 103 | 107 Ų | 107 | 48% | 0.481 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.1 | -51.6 | 175.5 | -175 | 178.6 | -169.8 | 0 | 0 | 111.3 | D94 G100 S101 M102 | D94-E98 PolarHBondContact O-N 3.2Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 3.46Å; E98-S101 PolarHBondContact O-N 2.99Å; E98-S101 PolarHBondContact O-OG 2.86Å; E98-M102 HydrophobicContact CG-CE 3.64Å; E98-M102 HydrophobicContact CG-SD 4.31Å; E98-M102 WeakPolarHBondContact O-CG 3.48Å; E98-M102 PolarHBondContact O-N 2.99Å; E98-M102 WeakPolarHBondContact OE1-CE 3.4Å |
| 99 | I | 85.3 | Confident | 77.2 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 48% | 0.482 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.6 | -43.5 | 177.5 | -67.7 | 165.4 | 0 | 0 | 0 | 110.9 | R95 S101 M102 L103 | R95-I99 WeakPolarHBondContact O-CB 3.36Å; R95-I99 WeakPolarHBondContact O-CD1 3.41Å; R95-I99 WeakPolarHBondContact O-CG1 3.42Å; R95-I99 PolarHBondContact O-N 2.98Å; I99-S101 PolarHBondContact O-N 2.97Å; I99-M102 PolarHBondContact O-N 2.96Å; I99-L103 HydrophobicContact CG2-CD1 3.97Å; I99-L103 HydrophobicContact CG2-CG 4.35Å; I99-L103 WeakPolarHBondContact O-CB 3.4Å; I99-L103 WeakPolarHBondContact O-CG 3.45Å; I99-L103 PolarHBondContact O-N 2.95Å |
| 100 | G | 86.9 | Confident | 79.9 | Confident | 27 Ų | 27 | 101.8 Ų | 101.8 | 28% | 0.278 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.5 | -48.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | G96 H97 E98 M102 L103 D104 | G96-G100 PolarHBondContact O-N 3.26Å; H97-G100 PolarHBondContact O-N 3.49Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 3.46Å; G100-M102 VanDerWaalsContact C-N 3.32Å; G100-M102 PolarHBondContact O-N 3.48Å; G100-L103 PolarHBondContact O-N 3.34Å; G100-D104 PolarHBondContact O-N 3.33Å |
| 101 | S | 88.5 | Confident | 82.3 | Confident | 48 Ų | 48 | 100.6 Ų | 100.6 | 34% | 0.336 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -33.4 | 178.2 | 78.7 | 0 | 0 | 0 | 0 | 113.5 | H97 E98 I99 K105 | H97-S101 WeakPolarHBondContact O-CB 3.22Å; H97-S101 PolarHBondContact O-N 3.34Å; E98-S101 PolarHBondContact O-N 2.99Å; E98-S101 PolarHBondContact O-OG 2.86Å; I99-S101 PolarHBondContact O-N 2.97Å; S101-K105 VanDerWaalsContact O-CG 3.25Å; S101-K105 WeakPolarHBondContact O-CG 3.49Å; S101-K105 PolarHBondContact O-N 3.5Å; S101-K105 VanDerWaalsContact O-N 3.15Å |
| 102 | M | 90 | Very high | 84.8 | Confident | 103 Ų | 103 | 103.5 Ų | 103.5 | 51% | 0.507 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70 | -40.7 | 174.6 | -71.5 | 178.9 | 177.9 | 0 | 0 | 111.2 | E98 I99 G100 S106 | E98-M102 HydrophobicContact CG-CE 3.64Å; E98-M102 HydrophobicContact CG-SD 4.31Å; E98-M102 WeakPolarHBondContact O-CG 3.48Å; E98-M102 PolarHBondContact O-N 2.99Å; E98-M102 WeakPolarHBondContact OE1-CE 3.4Å; I99-M102 PolarHBondContact O-N 2.96Å; G100-M102 VanDerWaalsContact C-N 3.32Å; G100-M102 PolarHBondContact O-N 3.48Å; M102-S106 WeakPolarHBondContact O-CB 3.47Å; M102-S106 PolarHBondContact O-N 3.45Å |
| 103 | L | 93.5 | Very high | 87 | Confident | 109 Ų | 109 | 99.4 Ų | 99.4 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.1 | -43.9 | 175.7 | -73.1 | 172.3 | 0 | 0 | 0 | 111.5 | I99 G100 K105 S106 G107 | I99-L103 HydrophobicContact CG2-CD1 3.97Å; I99-L103 HydrophobicContact CG2-CG 4.35Å; I99-L103 WeakPolarHBondContact O-CB 3.4Å; I99-L103 WeakPolarHBondContact O-CG 3.45Å; I99-L103 PolarHBondContact O-N 2.95Å; G100-L103 PolarHBondContact O-N 3.34Å; L103-K105 PolarHBondContact O-N 2.99Å; L103-S106 WeakPolarHBondContact CA-OG 3.47Å; L103-S106 CarbonylContact O-C 3.59Å; L103-S106 PolarHBondContact O-N 2.74Å; L103-S106 VanDerWaalsContact O-N 3.16Å; L103-S106 PolarHBondContact O-OG 2.99Å; L103-G107 PolarHBondContact O-N 3.18Å |
| 104 | D | 92 | Very high | 89 | Confident | 117 Ų | 117 | 96.1 Ų | 96.1 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.9 | -46.8 | 176.7 | -72.8 | -18 | 0 | 0 | 0 | 111.3 | G100 S106 G107 D108 | G100-D104 PolarHBondContact O-N 3.33Å; D104-S106 VanDerWaalsContact C-N 3.33Å; D104-S106 PolarHBondContact O-N 3.42Å; D104-G107 PolarHBondContact O-N 3.09Å; D104-G107 VanDerWaalsContact O-N 3.15Å; D104-D108 PolarHBondContact O-N 3.39Å |
| 105 | K | 93.6 | Very high | 90.5 | Very high | 133 Ų | 133 | 94 Ų | 94 | 58% | 0.578 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.8 | -43.7 | 173.8 | -72.7 | 170.3 | -174.9 | 174.1 | 0 | 112 | S101 L103 G107 D108 D109 | S101-K105 VanDerWaalsContact O-CG 3.25Å; S101-K105 WeakPolarHBondContact O-CG 3.49Å; S101-K105 PolarHBondContact O-N 3.5Å; S101-K105 VanDerWaalsContact O-N 3.15Å; L103-K105 PolarHBondContact O-N 2.99Å; K105-G107 VanDerWaalsContact C-N 3.31Å; K105-G107 PolarHBondContact O-N 3.1Å; K105-D108 PolarHBondContact O-N 3.44Å; K105-D109 PolarHBondContact O-N 3.39Å |
| 106 | S | 92.7 | Very high | 91.9 | Very high | 50 Ų | 50 | 92.3 Ų | 92.3 | 35% | 0.35 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 176.6 | 78.2 | 0 | 0 | 0 | 0 | 112 | M102 L103 D104 D109 I110 | M102-S106 WeakPolarHBondContact O-CB 3.47Å; M102-S106 PolarHBondContact O-N 3.45Å; L103-S106 WeakPolarHBondContact CA-OG 3.47Å; L103-S106 CarbonylContact O-C 3.59Å; L103-S106 PolarHBondContact O-N 2.74Å; L103-S106 VanDerWaalsContact O-N 3.16Å; L103-S106 PolarHBondContact O-OG 2.99Å; D104-S106 VanDerWaalsContact C-N 3.33Å; D104-S106 PolarHBondContact O-N 3.42Å; S106-D109 PolarHBondContact O-N 3.28Å; S106-I110 WeakPolarHBondContact O-CB 3.48Å; S106-I110 WeakPolarHBondContact O-CD1 3.41Å; S106-I110 WeakPolarHBondContact O-CG1 3.48Å; S106-I110 PolarHBondContact O-N 2.9Å |
| 107 | G | 94.5 | Very high | 92.9 | Very high | 36 Ų | 36 | 96.2 Ų | 96.2 | 37% | 0.371 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L103 D104 K105 I110 Y111 | L103-G107 PolarHBondContact O-N 3.18Å; D104-G107 PolarHBondContact O-N 3.09Å; D104-G107 VanDerWaalsContact O-N 3.15Å; K105-G107 VanDerWaalsContact C-N 3.31Å; K105-G107 PolarHBondContact O-N 3.1Å; G107-I110 PolarHBondContact O-N 3.43Å; G107-Y111 WeakPolarHBondContact O-CB 3.43Å; G107-Y111 PolarHBondContact O-N 2.86Å |
| 108 | D | 95.2 | Very high | 93.7 | Very high | 96 Ų | 96 | 95.7 Ų | 95.7 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 174.6 | -81.9 | -12 | 0 | 0 | 0 | 112.2 | D104 K105 Y111 K112 | D104-D108 PolarHBondContact O-N 3.39Å; K105-D108 PolarHBondContact O-N 3.44Å; D108-Y111 PolarHBondContact O-N 3.47Å; D108-K112 VanDerWaalsContact O-CG 3.27Å; D108-K112 WeakPolarHBondContact O-CG 3.45Å; D108-K112 PolarHBondContact O-N 3.28Å |
| 109 | D | 95.6 | Very high | 94.4 | Very high | 89 Ų | 89 | 95.5 Ų | 95.5 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.6 | -38.1 | 179.6 | -71 | -17.3 | 0 | 0 | 0 | 111.9 | K105 S106 K112 T113 | K105-D109 PolarHBondContact O-N 3.39Å; S106-D109 PolarHBondContact O-N 3.28Å; D109-K112 IonicContact OD1-NZ 2.63Å; D109-K112 PolarHBondContact OD1-NZ 3.09Å; D109-T113 WeakPolarHBondContact O-CB 3.41Å; D109-T113 PolarHBondContact O-N 3.34Å; D109-T113 PolarHBondContact O-OG1 3.45Å |
| 110 | I | 96.3 | Very high | 95 | Very high | 102 Ų | 102 | 98 Ų | 98 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 170.1 | -70.4 | 163.7 | 0 | 0 | 0 | 110.2 | S106 G107 K112 T113 L114 | S106-I110 WeakPolarHBondContact O-CB 3.48Å; S106-I110 WeakPolarHBondContact O-CD1 3.41Å; S106-I110 WeakPolarHBondContact O-CG1 3.48Å; S106-I110 PolarHBondContact O-N 2.9Å; G107-I110 PolarHBondContact O-N 3.43Å; I110-K112 PolarHBondContact O-N 3.23Å; I110-T113 PolarHBondContact O-N 3.13Å; I110-L114 HydrophobicContact CG2-CD1 3.88Å; I110-L114 HydrophobicContact CG2-CG 4.34Å; I110-L114 WeakPolarHBondContact O-CB 3.5Å; I110-L114 WeakPolarHBondContact O-CG 3.47Å; I110-L114 PolarHBondContact O-N 3.36Å |
| 111 | Y | 97 | Very high | 95.5 | Very high | 147 Ų | 147 | 101.1 Ų | 101.1 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | -179.9 | 178.2 | -97.6 | 0 | 0 | 0 | 112.1 | G107 D108 T113 L114 H115 | G107-Y111 WeakPolarHBondContact O-CB 3.43Å; G107-Y111 PolarHBondContact O-N 2.86Å; D108-Y111 PolarHBondContact O-N 3.47Å; Y111-T113 PolarHBondContact O-N 2.97Å; Y111-L114 PolarHBondContact O-N 3.41Å; Y111-H115 WeakPolarHBondContact O-CB 3.41Å; Y111-H115 PolarHBondContact O-N 3.26Å |
| 112 | K | 97.4 | Very high | 96 | Very high | 110 Ų | 110 | 103.2 Ų | 103.2 | 48% | 0.478 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -46 | 175.8 | -71.3 | 167.9 | -165.9 | 158 | 0 | 111.5 | D108 D109 I110 L114 H115 I116 | D108-K112 VanDerWaalsContact O-CG 3.27Å; D108-K112 WeakPolarHBondContact O-CG 3.45Å; D108-K112 PolarHBondContact O-N 3.28Å; D109-K112 IonicContact OD1-NZ 2.63Å; D109-K112 PolarHBondContact OD1-NZ 3.09Å; I110-K112 PolarHBondContact O-N 3.23Å; K112-L114 PolarHBondContact O-N 3.21Å; K112-H115 PolarHBondContact O-N 2.97Å; K112-I116 WeakPolarHBondContact O-CG1 3.44Å; K112-I116 PolarHBondContact O-N 2.96Å |
| 113 | T | 96.9 | Very high | 96.3 | Very high | 93 Ų | 93 | 101.5 Ų | 101.5 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.5 | -45.5 | 179 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | D109 I110 Y111 H115 I116 K117 | D109-T113 WeakPolarHBondContact O-CB 3.41Å; D109-T113 PolarHBondContact O-N 3.34Å; D109-T113 PolarHBondContact O-OG1 3.45Å; I110-T113 PolarHBondContact O-N 3.13Å; Y111-T113 PolarHBondContact O-N 2.97Å; T113-H115 VanDerWaalsContact C-N 3.34Å; T113-H115 PolarHBondContact O-N 3.49Å; T113-I116 PolarHBondContact O-N 2.86Å; T113-K117 WeakPolarHBondContact O-CB 3.3Å; T113-K117 PolarHBondContact O-N 3.17Å |
| 114 | L | 97.9 | Very high | 96.5 | Very high | 97 Ų | 97 | 101.9 Ų | 101.9 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 175.5 | -72.6 | 175.7 | 0 | 0 | 0 | 112.2 | I110 Y111 K112 K117 R118 | I110-L114 HydrophobicContact CG2-CD1 3.88Å; I110-L114 HydrophobicContact CG2-CG 4.34Å; I110-L114 WeakPolarHBondContact O-CB 3.5Å; I110-L114 WeakPolarHBondContact O-CG 3.47Å; I110-L114 PolarHBondContact O-N 3.36Å; Y111-L114 PolarHBondContact O-N 3.41Å; K112-L114 PolarHBondContact O-N 3.21Å; L114-K117 PolarHBondContact O-N 3.07Å; L114-R118 WeakPolarHBondContact O-CB 3.39Å; L114-R118 PolarHBondContact O-N 3Å |
| 115 | H | 97.4 | Very high | 96.8 | Very high | 77 Ų | 77 | 100.5 Ų | 100.5 | 36% | 0.356 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 177 | -170.8 | 81.6 | 0 | 0 | 0 | 111.9 | Y111 K112 T113 R118 K119 | Y111-H115 WeakPolarHBondContact O-CB 3.41Å; Y111-H115 PolarHBondContact O-N 3.26Å; K112-H115 PolarHBondContact O-N 2.97Å; T113-H115 VanDerWaalsContact C-N 3.34Å; T113-H115 PolarHBondContact O-N 3.49Å; H115-R118 PolarHBondContact O-N 3.47Å; H115-K119 WeakPolarHBondContact O-CG 3.49Å; H115-K119 PolarHBondContact O-N 2.92Å |
| 116 | I | 97.8 | Very high | 96.9 | Very high | 118 Ų | 118 | 101.9 Ų | 101.9 | 61% | 0.605 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.4 | -48.6 | 175.6 | -67.7 | 166.1 | 0 | 0 | 0 | 110.2 | K112 T113 R118 K119 W120 | K112-I116 WeakPolarHBondContact O-CG1 3.44Å; K112-I116 PolarHBondContact O-N 2.96Å; T113-I116 PolarHBondContact O-N 2.86Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 3.18Å; I116-K119 PolarHBondContact O-N 3.33Å; I116-W120 PolarHBondContact O-N 3.45Å |
| 117 | K | 98.1 | Very high | 97.1 | Very high | 127 Ų | 127 | 105.7 Ų | 105.7 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.4 | -42.7 | 178.3 | -168.9 | -173.1 | -178.6 | -164 | 0 | 111.8 | T113 L114 W120 M121 | T113-K117 WeakPolarHBondContact O-CB 3.3Å; T113-K117 PolarHBondContact O-N 3.17Å; L114-K117 PolarHBondContact O-N 3.07Å; K117-W120 PolarHBondContact O-N 3.45Å; K117-M121 WeakPolarHBondContact O-CG 3.28Å; K117-M121 PolarHBondContact O-N 3.05Å |
| 118 | R | 98 | Very high | 97.2 | Very high | 134 Ų | 134 | 105.6 Ų | 105.6 | 51% | 0.506 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 175.7 | -177.1 | -172.1 | -61.8 | 150.5 | 2.7 | 111.3 | L114 H115 I116 W120 M121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.39Å; L114-R118 PolarHBondContact O-N 3Å; H115-R118 PolarHBondContact O-N 3.47Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 3.18Å; R118-W120 VanDerWaalsContact C-N 3.3Å; R118-W120 PolarHBondContact O-N 3.24Å; R118-M121 PolarHBondContact O-N 3.44Å; R118-E122 WeakPolarHBondContact CD-OE1 3.35Å; R118-E122 HydrophobicContact CG-CG 4.39Å; R118-E122 WeakPolarHBondContact CG-OE1 3.48Å; R118-E122 WeakPolarHBondContact O-CG 3.31Å; R118-E122 PolarHBondContact O-N 3.38Å |
| 119 | K | 98 | Very high | 97.2 | Very high | 99 Ų | 99 | 106.6 Ų | 106.6 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 179.7 | -77.5 | -74.1 | 162.7 | -144.3 | 0 | 112.5 | H115 I116 E122 T123 | H115-K119 WeakPolarHBondContact O-CG 3.49Å; H115-K119 PolarHBondContact O-N 2.92Å; I116-K119 PolarHBondContact O-N 3.33Å; K119-E122 IonicContact NZ-OE2 3.44Å; K119-E122 PolarHBondContact NZ-OE2 3.34Å; K119-T123 WeakPolarHBondContact O-CB 3.4Å; K119-T123 PolarHBondContact O-N 3.29Å; K119-T123 VanDerWaalsContact O-N 3.09Å; K119-T123 PolarHBondContact O-OG1 3.49Å |
| 120 | W | 97.7 | Very high | 97.3 | Very high | 145 Ų | 145 | 109 Ų | 109 | 55% | 0.549 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -49.4 | 173.6 | 177 | 84 | 0 | 0 | 0 | 111.6 | I116 K117 R118 E122 T123 Y124 | I116-W120 PolarHBondContact O-N 3.45Å; K117-W120 PolarHBondContact O-N 3.45Å; R118-W120 VanDerWaalsContact C-N 3.3Å; R118-W120 PolarHBondContact O-N 3.24Å; W120-E122 PolarHBondContact O-N 3.34Å; W120-T123 PolarHBondContact O-N 2.99Å; W120-Y124 HydrophobicContact CZ2-CD2 4.47Å; W120-Y124 WeakPolarHBondContact O-CB 3.49Å; W120-Y124 PolarHBondContact O-N 2.97Å |
| 121 | M | 98.2 | Very high | 97.2 | Very high | 93 Ų | 93 | 105.8 Ų | 105.8 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 177.8 | -73.5 | 179.8 | 55 | 0 | 0 | 112.7 | K117 R118 T123 Y124 V125 | K117-M121 WeakPolarHBondContact O-CG 3.28Å; K117-M121 PolarHBondContact O-N 3.05Å; R118-M121 PolarHBondContact O-N 3.44Å; M121-T123 VanDerWaalsContact C-N 3.27Å; M121-T123 PolarHBondContact O-N 2.95Å; M121-Y124 PolarHBondContact O-N 3.31Å; M121-V125 WeakPolarHBondContact O-CB 3.38Å; M121-V125 WeakPolarHBondContact O-CG2 3.26Å; M121-V125 PolarHBondContact O-N 3.43Å |
| 122 | E | 97.6 | Very high | 97.2 | Very high | 92 Ų | 92 | 106.2 Ų | 106.2 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.3 | -44.1 | 176 | -76.1 | 171.8 | -171.1 | 0 | 0 | 111.1 | R118 K119 W120 K126 | R118-E122 WeakPolarHBondContact CD-OE1 3.35Å; R118-E122 HydrophobicContact CG-CG 4.39Å; R118-E122 WeakPolarHBondContact CG-OE1 3.48Å; R118-E122 WeakPolarHBondContact O-CG 3.31Å; R118-E122 PolarHBondContact O-N 3.38Å; K119-E122 IonicContact NZ-OE2 3.44Å; K119-E122 PolarHBondContact NZ-OE2 3.34Å; W120-E122 PolarHBondContact O-N 3.34Å; E122-K126 VanDerWaalsContact O-CB 3.27Å; E122-K126 WeakPolarHBondContact O-CB 3.36Å; E122-K126 PolarHBondContact O-N 2.9Å; E122-K126 VanDerWaalsContact O-N 3.15Å |
| 123 | T | 97.7 | Very high | 97.2 | Very high | 67 Ų | 67 | 104.2 Ų | 104.2 | 41% | 0.411 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.4 | -48.5 | 179 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | K119 W120 M121 V125 K126 E127 | K119-T123 WeakPolarHBondContact O-CB 3.4Å; K119-T123 PolarHBondContact O-N 3.29Å; K119-T123 VanDerWaalsContact O-N 3.09Å; K119-T123 PolarHBondContact O-OG1 3.49Å; W120-T123 PolarHBondContact O-N 2.99Å; M121-T123 VanDerWaalsContact C-N 3.27Å; M121-T123 PolarHBondContact O-N 2.95Å; T123-V125 PolarHBondContact O-N 2.93Å; T123-K126 PolarHBondContact O-N 3.43Å; T123-E127 HydrophobicContact CG2-CG 4.41Å; T123-E127 WeakPolarHBondContact O-CG 3.39Å; T123-E127 PolarHBondContact O-N 3.34Å |
| 124 | Y | 97.1 | Very high | 97.2 | Very high | 118 Ų | 118 | 104.3 Ų | 104.3 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.5 | -47.7 | 179 | 175.2 | -99.7 | 0 | 0 | 0 | 112.4 | W120 M121 K126 E127 S128 | W120-Y124 HydrophobicContact CZ2-CD2 4.47Å; W120-Y124 WeakPolarHBondContact O-CB 3.49Å; W120-Y124 PolarHBondContact O-N 2.97Å; M121-Y124 PolarHBondContact O-N 3.31Å; Y124-K126 PolarHBondContact O-N 2.93Å; Y124-E127 PolarHBondContact O-N 2.89Å; Y124-S128 WeakPolarHBondContact O-CB 3.43Å; Y124-S128 PolarHBondContact O-N 3.39Å; Y124-S128 PolarHBondContact O-OG 3.09Å |
| 125 | V | 97.6 | Very high | 97.1 | Very high | 88 Ų | 88 | 106.8 Ų | 106.8 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 178.1 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | M121 T123 S128 F129 | M121-V125 WeakPolarHBondContact O-CB 3.38Å; M121-V125 WeakPolarHBondContact O-CG2 3.26Å; M121-V125 PolarHBondContact O-N 3.43Å; T123-V125 PolarHBondContact O-N 2.93Å; V125-S128 PolarHBondContact O-N 3.25Å; V125-F129 WeakPolarHBondContact O-CB 3.38Å; V125-F129 PolarHBondContact O-N 3.39Å |
| 126 | K | 97.4 | Very high | 97.1 | Very high | 162 Ų | 162 | 108 Ų | 108 | 70% | 0.704 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.2 | -46.6 | 179.4 | -177.7 | -179.6 | 178.6 | -178.8 | 0 | 111.9 | E122 T123 Y124 K130 | E122-K126 VanDerWaalsContact O-CB 3.27Å; E122-K126 WeakPolarHBondContact O-CB 3.36Å; E122-K126 PolarHBondContact O-N 2.9Å; E122-K126 VanDerWaalsContact O-N 3.15Å; T123-K126 PolarHBondContact O-N 3.43Å; Y124-K126 PolarHBondContact O-N 2.93Å; K126-K130 WeakPolarHBondContact O-CB 3.28Å; K126-K130 PolarHBondContact O-N 3.1Å |
| 127 | E | 96.6 | Very high | 97.1 | Very high | 129 Ų | 129 | 107.2 Ų | 107.2 | 60% | 0.603 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.9 | -43 | 178.9 | -71 | 176.4 | 168.1 | 0 | 0 | 111.6 | T123 Y124 F129 K130 G131 | T123-E127 HydrophobicContact CG2-CG 4.41Å; T123-E127 WeakPolarHBondContact O-CG 3.39Å; T123-E127 PolarHBondContact O-N 3.34Å; Y124-E127 PolarHBondContact O-N 2.89Å; E127-F129 VanDerWaalsContact C-N 3.33Å; E127-F129 PolarHBondContact O-N 3.43Å; E127-K130 PolarHBondContact O-N 3.02Å; E127-G131 PolarHBondContact O-N 3.08Å |
| 128 | S | 95.2 | Very high | 97.1 | Very high | 34 Ų | 34 | 109.1 Ų | 109.1 | 24% | 0.238 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 175.8 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | Y124 V125 R132 | Y124-S128 WeakPolarHBondContact O-CB 3.43Å; Y124-S128 PolarHBondContact O-N 3.39Å; Y124-S128 PolarHBondContact O-OG 3.09Å; V125-S128 PolarHBondContact O-N 3.25Å; S128-R132 WeakPolarHBondContact O-CB 3.34Å; S128-R132 VanDerWaalsContact O-CG 3.32Å; S128-R132 WeakPolarHBondContact O-CG 3.43Å; S128-R132 PolarHBondContact O-N 3.32Å; S128-R132 PolarHBondContact O-NE 3.12Å; S128-R132 VanDerWaalsContact O-NE 3.16Å |
| 129 | F | 96.7 | Very high | 97.1 | Very high | 118 Ų | 118 | 109.3 Ų | 109.3 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.5 | -40.7 | 177.4 | -162.4 | -110.8 | 0 | 0 | 0 | 111.5 | V125 E127 G131 R132 N133 | V125-F129 WeakPolarHBondContact O-CB 3.38Å; V125-F129 PolarHBondContact O-N 3.39Å; E127-F129 VanDerWaalsContact C-N 3.33Å; E127-F129 PolarHBondContact O-N 3.43Å; F129-G131 PolarHBondContact O-N 2.95Å; F129-R132 PolarHBondContact O-N 3.32Å; F129-N133 WeakPolarHBondContact CD1-ND2 3.37Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.14Å; F129-N133 WeakPolarHBondContact O-CB 3.43Å; F129-N133 VanDerWaalsContact O-CG 3.28Å; F129-N133 PolarHBondContact O-N 3.43Å; F129-N133 PolarHBondContact O-OD1 3Å |
| 130 | K | 97 | Very high | 97 | Very high | 138 Ų | 138 | 107.1 Ų | 107.1 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.1 | -48.7 | 175.7 | -175.3 | -177.9 | 177.8 | -172.8 | 0 | 111.9 | K126 E127 N133 Q134 | K126-K130 WeakPolarHBondContact O-CB 3.28Å; K126-K130 PolarHBondContact O-N 3.1Å; E127-K130 PolarHBondContact O-N 3.02Å; K130-N133 PolarHBondContact O-N 3.36Å; K130-Q134 WeakPolarHBondContact O-CG 3.42Å; K130-Q134 PolarHBondContact O-N 3.11Å |
| 131 | G | 94.7 | Very high | 97 | Very high | 35 Ų | 35 | 105.2 Ų | 105.2 | 36% | 0.361 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | E127 F129 Q134 K135 | E127-G131 PolarHBondContact O-N 3.08Å; F129-G131 PolarHBondContact O-N 2.95Å; G131-Q134 PolarHBondContact O-N 2.91Å; G131-K135 PolarHBondContact O-N 3.07Å; G131-K135 VanDerWaalsContact O-N 3.08Å |
| 132 | R | 96.1 | Very high | 97 | Very high | 157 Ų | 157 | 106 Ų | 106 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | 177.1 | -75.7 | -175.6 | -69.5 | -176.4 | 1.4 | 112.5 | S128 F129 Q134 K135 L136 | S128-R132 WeakPolarHBondContact O-CB 3.34Å; S128-R132 VanDerWaalsContact O-CG 3.32Å; S128-R132 WeakPolarHBondContact O-CG 3.43Å; S128-R132 PolarHBondContact O-N 3.32Å; S128-R132 PolarHBondContact O-NE 3.12Å; S128-R132 VanDerWaalsContact O-NE 3.16Å; F129-R132 PolarHBondContact O-N 3.32Å; R132-Q134 PolarHBondContact O-N 3.03Å; R132-K135 WeakPolarHBondContact O-CB 3.48Å; R132-K135 PolarHBondContact O-N 3.05Å; R132-K135 VanDerWaalsContact O-N 3.14Å; R132-L136 PolarHBondContact O-N 2.8Å |
| 133 | N | 97 | Very high | 96.9 | Very high | 68 Ų | 68 | 105.2 Ų | 105.2 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 178 | -73.1 | -0.5 | 0 | 0 | 0 | 112 | F129 K130 K135 L136 E137 | F129-N133 WeakPolarHBondContact CD1-ND2 3.37Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.14Å; F129-N133 WeakPolarHBondContact O-CB 3.43Å; F129-N133 VanDerWaalsContact O-CG 3.28Å; F129-N133 PolarHBondContact O-N 3.43Å; F129-N133 PolarHBondContact O-OD1 3Å; K130-N133 PolarHBondContact O-N 3.36Å; N133-K135 VanDerWaalsContact C-N 3.28Å; N133-K135 PolarHBondContact O-N 2.85Å; N133-L136 PolarHBondContact O-N 3.38Å; N133-E137 WeakPolarHBondContact O-CB 3.38Å; N133-E137 PolarHBondContact O-N 3.44Å |
| 134 | Q | 97.4 | Very high | 96.9 | Very high | 95 Ų | 95 | 106.9 Ų | 106.9 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -33.2 | 174.4 | -74 | 179.2 | -15.9 | 0 | 0 | 112.8 | K130 G131 R132 R138 | K130-Q134 WeakPolarHBondContact O-CG 3.42Å; K130-Q134 PolarHBondContact O-N 3.11Å; G131-Q134 PolarHBondContact O-N 2.91Å; R132-Q134 PolarHBondContact O-N 3.03Å; Q134-R138 VanDerWaalsContact O-CG 3.32Å; Q134-R138 WeakPolarHBondContact O-CG 3.36Å; Q134-R138 PolarHBondContact O-N 3.19Å; Q134-R138 PolarHBondContact O-NE 2.96Å |
| 135 | K | 97 | Very high | 97 | Very high | 149 Ų | 149 | 108.7 Ų | 108.7 | 65% | 0.648 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.4 | -44.3 | 174.5 | -172.3 | 173.2 | -177.6 | 172.3 | 0 | 111.2 | G131 R132 N133 R138 F139 | G131-K135 PolarHBondContact O-N 3.07Å; G131-K135 VanDerWaalsContact O-N 3.08Å; R132-K135 WeakPolarHBondContact O-CB 3.48Å; R132-K135 PolarHBondContact O-N 3.05Å; R132-K135 VanDerWaalsContact O-N 3.14Å; N133-K135 VanDerWaalsContact C-N 3.28Å; N133-K135 PolarHBondContact O-N 2.85Å; K135-R138 PolarHBondContact O-N 3.37Å; K135-F139 PolarHBondContact O-N 3.02Å |
| 136 | L | 97.2 | Very high | 97 | Very high | 103 Ų | 103 | 109.9 Ų | 109.9 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 176 | -179.5 | 61.4 | 0 | 0 | 0 | 111.5 | R132 N133 R138 F139 C140 | R132-L136 PolarHBondContact O-N 2.8Å; N133-L136 PolarHBondContact O-N 3.38Å; L136-R138 VanDerWaalsContact C-N 3.34Å; L136-R138 PolarHBondContact O-N 2.93Å; L136-F139 WeakPolarHBondContact O-CB 3.25Å; L136-F139 PolarHBondContact O-N 3.46Å; L136-F139 VanDerWaalsContact O-N 3.12Å; L136-C140 PolarHBondContact O-N 3.45Å; L136-C140 PolarHBondContact O-SG 3.21Å; L136-C140 VanDerWaalsContact O-SG 3.35Å |
| 137 | E | 97.5 | Very high | 97 | Very high | 101 Ų | 101 | 110.3 Ų | 110.3 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 178.5 | -170.9 | -170.6 | 164.5 | 0 | 0 | 111.9 | N133 F139 C140 K141 | N133-E137 WeakPolarHBondContact O-CB 3.38Å; N133-E137 PolarHBondContact O-N 3.44Å; E137-F139 VanDerWaalsContact C-N 3.34Å; E137-F139 PolarHBondContact O-N 2.87Å; E137-C140 PolarHBondContact O-N 2.81Å; E137-K141 HydrophobicContact CG-CD 4.3Å; E137-K141 WeakPolarHBondContact O-CB 3.37Å; E137-K141 WeakPolarHBondContact O-CG 3.4Å; E137-K141 PolarHBondContact O-N 3Å; E137-K141 WeakPolarHBondContact OE1-CE 3.48Å; E137-K141 IonicContact OE1-NZ 2.74Å; E137-K141 PolarHBondContact OE1-NZ 3.27Å |
| 138 | R | 97.9 | Very high | 97 | Very high | 166 Ų | 166 | 110.6 Ų | 110.6 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.8 | -43.2 | 174.5 | -79 | -176.6 | -76.3 | 157.4 | -10.2 | 111.9 | Q134 K135 L136 M142 | Q134-R138 VanDerWaalsContact O-CG 3.32Å; Q134-R138 WeakPolarHBondContact O-CG 3.36Å; Q134-R138 PolarHBondContact O-N 3.19Å; Q134-R138 PolarHBondContact O-NE 2.96Å; K135-R138 PolarHBondContact O-N 3.37Å; L136-R138 VanDerWaalsContact C-N 3.34Å; L136-R138 PolarHBondContact O-N 2.93Å; R138-M142 WeakPolarHBondContact O-CB 3.43Å; R138-M142 PolarHBondContact O-N 3.22Å |
| 139 | F | 96.8 | Very high | 97.1 | Very high | 138 Ų | 138 | 112.7 Ų | 112.7 | 61% | 0.605 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.2 | -47.8 | 177.5 | 179.7 | -97.9 | 0 | 0 | 0 | 111.8 | K135 L136 E137 K141 M142 N143 | K135-F139 PolarHBondContact O-N 3.02Å; L136-F139 WeakPolarHBondContact O-CB 3.25Å; L136-F139 PolarHBondContact O-N 3.46Å; L136-F139 VanDerWaalsContact O-N 3.12Å; E137-F139 VanDerWaalsContact C-N 3.34Å; E137-F139 PolarHBondContact O-N 2.87Å; F139-K141 PolarHBondContact O-N 3.35Å; F139-M142 WeakPolarHBondContact O-CB 3.37Å; F139-M142 PolarHBondContact O-N 3.38Å; F139-N143 PolarHBondContact O-N 3.26Å |
| 140 | C | 96.3 | Very high | 97.1 | Very high | 53 Ų | 53 | 112 Ų | 112 | 36% | 0.358 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.3 | -47.9 | 177 | -66 | 0 | 0 | 0 | 0 | 111.7 | L136 E137 M142 N143 E144 | L136-C140 PolarHBondContact O-N 3.45Å; L136-C140 PolarHBondContact O-SG 3.21Å; L136-C140 VanDerWaalsContact O-SG 3.35Å; E137-C140 PolarHBondContact O-N 2.81Å; C140-M142 VanDerWaalsContact C-N 3.29Å; C140-M142 PolarHBondContact O-N 2.9Å; C140-N143 PolarHBondContact O-N 3.23Å; C140-E144 WeakPolarHBondContact O-CG 3.47Å; C140-E144 PolarHBondContact O-N 3.46Å |
| 141 | K | 98.1 | Very high | 97.1 | Very high | 105 Ų | 105 | 107.7 Ų | 107.7 | 46% | 0.457 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.3 | -36.3 | 176.7 | -76 | 174.5 | 172.3 | 171.5 | 0 | 113.1 | E137 F139 R145 | E137-K141 HydrophobicContact CG-CD 4.3Å; E137-K141 WeakPolarHBondContact O-CB 3.37Å; E137-K141 WeakPolarHBondContact O-CG 3.4Å; E137-K141 PolarHBondContact O-N 3Å; E137-K141 WeakPolarHBondContact OE1-CE 3.48Å; E137-K141 IonicContact OE1-NZ 2.74Å; E137-K141 PolarHBondContact OE1-NZ 3.27Å; F139-K141 PolarHBondContact O-N 3.35Å; K141-R145 WeakPolarHBondContact O-CB 3.39Å; K141-R145 PolarHBondContact O-N 3.1Å |
| 142 | M | 97.7 | Very high | 97.3 | Very high | 109 Ų | 109 | 109.6 Ų | 109.6 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -49 | 175.5 | -169.8 | 69.6 | 80.5 | 0 | 0 | 110.7 | R138 F139 C140 E144 R145 E146 | R138-M142 WeakPolarHBondContact O-CB 3.43Å; R138-M142 PolarHBondContact O-N 3.22Å; F139-M142 WeakPolarHBondContact O-CB 3.37Å; F139-M142 PolarHBondContact O-N 3.38Å; C140-M142 VanDerWaalsContact C-N 3.29Å; C140-M142 PolarHBondContact O-N 2.9Å; M142-E144 PolarHBondContact O-N 3.06Å; M142-R145 WeakPolarHBondContact O-CB 3.38Å; M142-R145 PolarHBondContact O-N 3.41Å; M142-R145 VanDerWaalsContact O-N 3.16Å; M142-E146 PolarHBondContact O-N 3.4Å |
| 143 | N | 97 | Very high | 97.3 | Very high | 77 Ų | 77 | 107.7 Ų | 107.7 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 179.9 | -174.7 | 60.9 | 0 | 0 | 0 | 112.3 | F139 C140 R145 E146 R147 | F139-N143 PolarHBondContact O-N 3.26Å; C140-N143 PolarHBondContact O-N 3.23Å; N143-R145 VanDerWaalsContact C-N 3.32Å; N143-R145 PolarHBondContact O-N 3.34Å; N143-E146 PolarHBondContact O-N 3.27Å; N143-R147 PolarHBondContact O-N 2.9Å |
| 144 | E | 97.1 | Very high | 97.3 | Very high | 101 Ų | 101 | 109.1 Ų | 109.1 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 173 | -77.3 | 170.9 | -152.7 | 0 | 0 | 112.3 | C140 M142 R147 K148 | C140-E144 WeakPolarHBondContact O-CG 3.47Å; C140-E144 PolarHBondContact O-N 3.46Å; M142-E144 PolarHBondContact O-N 3.06Å; E144-R147 PolarHBondContact O-N 2.88Å; E144-K148 WeakPolarHBondContact O-CB 3.44Å; E144-K148 WeakPolarHBondContact O-CG 3.45Å; E144-K148 PolarHBondContact O-N 2.81Å |
| 145 | R | 97.8 | Very high | 97.3 | Very high | 156 Ų | 156 | 105.4 Ų | 105.4 | 59% | 0.589 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.1 | -41.1 | 178.2 | -169.9 | -172.9 | -59.5 | 140.9 | 1.7 | 111.4 | K141 M142 N143 K148 N149 | K141-R145 WeakPolarHBondContact O-CB 3.39Å; K141-R145 PolarHBondContact O-N 3.1Å; M142-R145 WeakPolarHBondContact O-CB 3.38Å; M142-R145 PolarHBondContact O-N 3.41Å; M142-R145 VanDerWaalsContact O-N 3.16Å; N143-R145 VanDerWaalsContact C-N 3.32Å; N143-R145 PolarHBondContact O-N 3.34Å; R145-K148 PolarHBondContact O-N 3.23Å; R145-N149 WeakPolarHBondContact O-CB 3.44Å; R145-N149 PolarHBondContact O-N 3.34Å |
| 146 | E | 97.8 | Very high | 97.3 | Very high | 113 Ų | 113 | 104.3 Ų | 104.3 | 53% | 0.528 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 176.8 | -173.6 | 171.8 | -171.9 | 0 | 0 | 111.5 | M142 N143 K148 N149 I150 | M142-E146 PolarHBondContact O-N 3.4Å; N143-E146 PolarHBondContact O-N 3.27Å; E146-K148 PolarHBondContact O-N 3.15Å; E146-N149 WeakPolarHBondContact O-CB 3.39Å; E146-N149 PolarHBondContact O-N 3.44Å; E146-N149 VanDerWaalsContact O-N 3.15Å; E146-I150 HydrophobicContact CG-CD1 4.13Å; E146-I150 WeakPolarHBondContact O-CG1 3.49Å; E146-I150 PolarHBondContact O-N 3.45Å |
| 147 | R | 97.3 | Very high | 97.3 | Very high | 171 Ų | 171 | 105.5 Ų | 105.5 | 65% | 0.645 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -55.5 | -48.1 | 173.1 | -77.6 | -179.9 | 52.5 | 138.4 | -3.8 | 112.1 | N143 E144 N149 I150 N151 | N143-R147 PolarHBondContact O-N 2.9Å; E144-R147 PolarHBondContact O-N 2.88Å; R147-N149 VanDerWaalsContact C-N 3.34Å; R147-N149 PolarHBondContact O-N 3.35Å; R147-I150 PolarHBondContact O-N 3.45Å; R147-N151 WeakPolarHBondContact O-CB 3.34Å; R147-N151 PolarHBondContact O-N 3.45Å |
| 148 | K | 97.5 | Very high | 97.2 | Very high | 136 Ų | 136 | 106.2 Ų | 106.2 | 59% | 0.591 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.1 | -42.2 | 176.5 | -76.4 | 175.6 | 177.8 | 171.6 | 0 | 111.9 | E144 R145 E146 N151 N152 | E144-K148 WeakPolarHBondContact O-CB 3.44Å; E144-K148 WeakPolarHBondContact O-CG 3.45Å; E144-K148 PolarHBondContact O-N 2.81Å; R145-K148 PolarHBondContact O-N 3.23Å; E146-K148 PolarHBondContact O-N 3.15Å; K148-N151 PolarHBondContact O-N 3.31Å; K148-N152 WeakPolarHBondContact O-CB 3.42Å; K148-N152 PolarHBondContact O-N 3.03Å; K148-N152 PolarHBondContact O-ND2 3.22Å; K148-N152 PolarHBondContact O-OD1 3.38Å |
| 149 | N | 97.6 | Very high | 97.2 | Very high | 77 Ų | 77 | 101.7 Ų | 101.7 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 177.9 | -177.1 | 44.1 | 0 | 0 | 0 | 112.4 | R145 E146 R147 N152 K153 | R145-N149 WeakPolarHBondContact O-CB 3.44Å; R145-N149 PolarHBondContact O-N 3.34Å; E146-N149 WeakPolarHBondContact O-CB 3.39Å; E146-N149 PolarHBondContact O-N 3.44Å; E146-N149 VanDerWaalsContact O-N 3.15Å; R147-N149 VanDerWaalsContact C-N 3.34Å; R147-N149 PolarHBondContact O-N 3.35Å; N149-N152 PolarHBondContact O-N 2.93Å; N149-K153 WeakPolarHBondContact O-CG 3.46Å; N149-K153 PolarHBondContact O-N 3.1Å; N149-K153 VanDerWaalsContact O-N 3.1Å |
| 150 | I | 96.7 | Very high | 97.3 | Very high | 104 Ų | 104 | 99.2 Ų | 99.2 | 53% | 0.533 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 176 | -67.5 | 167 | 0 | 0 | 0 | 110.1 | E146 R147 N152 K153 F154 | E146-I150 HydrophobicContact CG-CD1 4.13Å; E146-I150 WeakPolarHBondContact O-CG1 3.49Å; E146-I150 PolarHBondContact O-N 3.45Å; R147-I150 PolarHBondContact O-N 3.45Å; I150-N152 PolarHBondContact O-N 3.15Å; I150-K153 PolarHBondContact O-N 2.91Å; I150-F154 PolarHBondContact O-N 2.96Å |
| 151 | N | 97.4 | Very high | 97.3 | Very high | 48 Ų | 48 | 101.2 Ų | 101.2 | 26% | 0.257 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 179.3 | -167.1 | 40.6 | 0 | 0 | 0 | 111.9 | L21 R147 K148 K153 F154 C155 | L21-N151 WeakPolarHBondContact CD1-OD1 3.46Å; R147-N151 WeakPolarHBondContact O-CB 3.34Å; R147-N151 PolarHBondContact O-N 3.45Å; K148-N151 PolarHBondContact O-N 3.31Å; N151-K153 PolarHBondContact O-N 3.33Å; N151-F154 WeakPolarHBondContact O-CB 3.49Å; N151-F154 PolarHBondContact O-N 3.08Å; N151-C155 WeakPolarHBondContact O-CB 3.16Å; N151-C155 PolarHBondContact O-N 3.42Å; N151-C155 PolarHBondContact O-SG 2.89Å; N151-C155 VanDerWaalsContact O-SG 3.33Å |
| 152 | N | 97.5 | Very high | 97.3 | Very high | 75 Ų | 75 | 102.7 Ų | 102.7 | 40% | 0.401 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 178.3 | -72.6 | -11.7 | 0 | 0 | 0 | 111.9 | K148 N149 I150 F154 C155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.42Å; K148-N152 PolarHBondContact O-N 3.03Å; K148-N152 PolarHBondContact O-ND2 3.22Å; K148-N152 PolarHBondContact O-OD1 3.38Å; N149-N152 PolarHBondContact O-N 2.93Å; I150-N152 PolarHBondContact O-N 3.15Å; N152-F154 VanDerWaalsContact C-N 3.29Å; N152-F154 PolarHBondContact O-N 3.21Å; N152-C155 PolarHBondContact O-N 3.39Å; N152-E156 WeakPolarHBondContact O-CG 3.45Å; N152-E156 PolarHBondContact O-N 3.47Å |
| 153 | K | 97.5 | Very high | 97.4 | Very high | 116 Ų | 116 | 102.4 Ų | 102.4 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 176.6 | -72.6 | 175.2 | -179.6 | -179.3 | 0 | 111.9 | N149 I150 N151 Q157 | N149-K153 WeakPolarHBondContact O-CG 3.46Å; N149-K153 PolarHBondContact O-N 3.1Å; N149-K153 VanDerWaalsContact O-N 3.1Å; I150-K153 PolarHBondContact O-N 2.91Å; N151-K153 PolarHBondContact O-N 3.33Å; K153-Q157 WeakPolarHBondContact O-CG 3.49Å; K153-Q157 PolarHBondContact O-N 2.84Å |
| 154 | F | 96.1 | Very high | 97.4 | Very high | 98 Ų | 98 | 105 Ų | 105 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -49.2 | 176.3 | -172.9 | -99.5 | 0 | 0 | 0 | 111.1 | I150 N151 N152 E156 Q157 Y158 | I150-F154 PolarHBondContact O-N 2.96Å; N151-F154 WeakPolarHBondContact O-CB 3.49Å; N151-F154 PolarHBondContact O-N 3.08Å; N152-F154 VanDerWaalsContact C-N 3.29Å; N152-F154 PolarHBondContact O-N 3.21Å; F154-E156 VanDerWaalsContact C-N 3.32Å; F154-E156 PolarHBondContact O-N 3.47Å; F154-Q157 WeakPolarHBondContact O-CB 3.4Å; F154-Q157 PolarHBondContact O-N 3.1Å; F154-Q157 VanDerWaalsContact O-N 3.1Å; F154-Y158 AromaticContact CD1-CD2 3.76Å; F154-Y158 HydrophobicContact CD1-CD2 3.76Å; F154-Y158 AromaticContact CD1-CE2 3.73Å; F154-Y158 HydrophobicContact CD1-CE2 3.73Å; F154-Y158 HydrophobicContact CD2-CD2 4.42Å; F154-Y158 AromaticContact CD2-CE2 3.98Å; F154-Y158 HydrophobicContact CD2-CE2 3.98Å; F154-Y158 AromaticContact CE1-CD2 3.6Å; F154-Y158 HydrophobicContact CE1-CD2 3.6Å; F154-Y158 AromaticContact CE1-CE2 3.14Å; F154-Y158 HydrophobicContact CE1-CE2 3.14Å; F154-Y158 AromaticContact CE1-CZ 3.76Å; F154-Y158 HydrophobicContact CE2-CD2 4.29Å; F154-Y158 AromaticContact CE2-CE2 3.44Å; F154-Y158 HydrophobicContact CE2-CE2 3.44Å; F154-Y158 VanDerWaalsContact CE2-CE2 3.44Å; F154-Y158 HydrophobicContact CG-CD2 4.2Å; F154-Y158 HydrophobicContact CG-CE2 4.13Å; F154-Y158 AromaticContact CZ-CD2 3.92Å; F154-Y158 HydrophobicContact CZ-CD2 3.92Å; F154-Y158 AromaticContact CZ-CE2 3.01Å; F154-Y158 HydrophobicContact CZ-CE2 3.01Å; F154-Y158 AromaticContact CZ-CZ 3.51Å; F154-Y158 WeakPolarHBondContact CZ-OH 3.38Å; F154-Y158 WeakPolarHBondContact O-CD2 3.43Å; F154-Y158 PolarHBondContact O-N 3.29Å |
| 155 | C | 97.1 | Very high | 97.5 | Very high | 17 Ų | 17 | 103.1 Ų | 103.1 | 12% | 0.115 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -55.9 | -43.7 | 175.8 | -73.9 | 0 | 0 | 0 | 0 | 112.6 | N151 N152 Q157 Y158 I159 | N151-C155 WeakPolarHBondContact O-CB 3.16Å; N151-C155 PolarHBondContact O-N 3.42Å; N151-C155 PolarHBondContact O-SG 2.89Å; N151-C155 VanDerWaalsContact O-SG 3.33Å; N152-C155 PolarHBondContact O-N 3.39Å; C155-Q157 VanDerWaalsContact C-N 3.32Å; C155-Q157 PolarHBondContact O-N 3.39Å; C155-Y158 PolarHBondContact O-N 3.16Å; C155-I159 WeakPolarHBondContact O-CB 3.32Å; C155-I159 VanDerWaalsContact O-CG1 3.25Å; C155-I159 WeakPolarHBondContact O-CG1 3.37Å; C155-I159 PolarHBondContact O-N 2.91Å |
| 156 | E | 97.3 | Very high | 97.5 | Very high | 127 Ų | 127 | 102.2 Ų | 102.2 | 59% | 0.593 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.4 | -42.2 | 176.1 | -76.4 | 176.1 | -179.5 | 0 | 0 | 112.3 | N152 F154 T160 | N152-E156 WeakPolarHBondContact O-CG 3.45Å; N152-E156 PolarHBondContact O-N 3.47Å; F154-E156 VanDerWaalsContact C-N 3.32Å; F154-E156 PolarHBondContact O-N 3.47Å; E156-T160 WeakPolarHBondContact O-CB 3.32Å; E156-T160 PolarHBondContact O-N 3.19Å; E156-T160 PolarHBondContact O-OG1 3.41Å |
| 157 | Q | 97.1 | Very high | 97.5 | Very high | 127 Ų | 127 | 102 Ų | 102 | 59% | 0.593 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 176 | -71.5 | -179.4 | -10.1 | 0 | 0 | 112 | K153 F154 C155 T160 T161 | K153-Q157 WeakPolarHBondContact O-CG 3.49Å; K153-Q157 PolarHBondContact O-N 2.84Å; F154-Q157 WeakPolarHBondContact O-CB 3.4Å; F154-Q157 PolarHBondContact O-N 3.1Å; F154-Q157 VanDerWaalsContact O-N 3.1Å; C155-Q157 VanDerWaalsContact C-N 3.32Å; C155-Q157 PolarHBondContact O-N 3.39Å; Q157-T160 PolarHBondContact O-N 3Å; Q157-T161 WeakPolarHBondContact O-CB 3.43Å; Q157-T161 PolarHBondContact O-N 2.96Å; Q157-T161 PolarHBondContact O-OG1 3.17Å |
| 158 | Y | 96.4 | Very high | 97.6 | Very high | 116 Ų | 116 | 98 Ų | 98 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 177.1 | -88.5 | -96 | 0 | 0 | 0 | 111.8 | F154 C155 T160 T161 F162 | F154-Y158 AromaticContact CD1-CD2 3.76Å; F154-Y158 HydrophobicContact CD1-CD2 3.76Å; F154-Y158 AromaticContact CD1-CE2 3.73Å; F154-Y158 HydrophobicContact CD1-CE2 3.73Å; F154-Y158 HydrophobicContact CD2-CD2 4.42Å; F154-Y158 AromaticContact CD2-CE2 3.98Å; F154-Y158 HydrophobicContact CD2-CE2 3.98Å; F154-Y158 AromaticContact CE1-CD2 3.6Å; F154-Y158 HydrophobicContact CE1-CD2 3.6Å; F154-Y158 AromaticContact CE1-CE2 3.14Å; F154-Y158 HydrophobicContact CE1-CE2 3.14Å; F154-Y158 AromaticContact CE1-CZ 3.76Å; F154-Y158 HydrophobicContact CE2-CD2 4.29Å; F154-Y158 AromaticContact CE2-CE2 3.44Å; F154-Y158 HydrophobicContact CE2-CE2 3.44Å; F154-Y158 VanDerWaalsContact CE2-CE2 3.44Å; F154-Y158 HydrophobicContact CG-CD2 4.2Å; F154-Y158 HydrophobicContact CG-CE2 4.13Å; F154-Y158 AromaticContact CZ-CD2 3.92Å; F154-Y158 HydrophobicContact CZ-CD2 3.92Å; F154-Y158 AromaticContact CZ-CE2 3.01Å; F154-Y158 HydrophobicContact CZ-CE2 3.01Å; F154-Y158 AromaticContact CZ-CZ 3.51Å; F154-Y158 WeakPolarHBondContact CZ-OH 3.38Å; F154-Y158 WeakPolarHBondContact O-CD2 3.43Å; F154-Y158 PolarHBondContact O-N 3.29Å; C155-Y158 PolarHBondContact O-N 3.16Å; Y158-T160 VanDerWaalsContact C-N 3.31Å; Y158-T160 PolarHBondContact O-N 3.43Å; Y158-T161 PolarHBondContact O-N 3.45Å; Y158-F162 HydrophobicContact CD1-CD2 4.43Å; Y158-F162 AromaticContact CD1-CE2 3.71Å; Y158-F162 HydrophobicContact CD1-CE2 3.71Å; Y158-F162 HydrophobicContact CD1-CZ 4.35Å; Y158-F162 WeakPolarHBondContact O-CB 3.44Å; Y158-F162 WeakPolarHBondContact O-CD2 3.34Å; Y158-F162 PolarHBondContact O-N 3.44Å |
| 159 | I | 97.3 | Very high | 97.6 | Very high | 71 Ų | 71 | 95.3 Ų | 95.3 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 178.3 | -70.5 | 165.7 | 0 | 0 | 0 | 110 | C155 T161 F162 Q163 | C155-I159 WeakPolarHBondContact O-CB 3.32Å; C155-I159 VanDerWaalsContact O-CG1 3.25Å; C155-I159 WeakPolarHBondContact O-CG1 3.37Å; C155-I159 PolarHBondContact O-N 2.91Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 2.95Å; I159-F162 PolarHBondContact O-N 2.97Å; I159-Q163 HydrophobicContact CG2-CG 4.43Å; I159-Q163 WeakPolarHBondContact O-CB 3.36Å; I159-Q163 VanDerWaalsContact O-CG 3.28Å; I159-Q163 WeakPolarHBondContact O-CG 3.18Å; I159-Q163 PolarHBondContact O-N 3.12Å |
| 160 | T | 97.8 | Very high | 97.6 | Very high | 87 Ų | 87 | 95.8 Ų | 95.8 | 53% | 0.534 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 179 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | E156 Q157 Y158 Q163 K164 | E156-T160 WeakPolarHBondContact O-CB 3.32Å; E156-T160 PolarHBondContact O-N 3.19Å; E156-T160 PolarHBondContact O-OG1 3.41Å; Q157-T160 PolarHBondContact O-N 3Å; Y158-T160 VanDerWaalsContact C-N 3.31Å; Y158-T160 PolarHBondContact O-N 3.43Å; T160-Q163 PolarHBondContact O-N 3.48Å; T160-K164 PolarHBondContact O-N 3.41Å |
| 161 | T | 98.1 | Very high | 97.7 | Very high | 94 Ų | 94 | 96.6 Ų | 96.6 | 58% | 0.577 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.8 | -43.9 | 179.2 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | Q157 Y158 I159 K164 S165 | Q157-T161 WeakPolarHBondContact O-CB 3.43Å; Q157-T161 PolarHBondContact O-N 2.96Å; Q157-T161 PolarHBondContact O-OG1 3.17Å; Y158-T161 PolarHBondContact O-N 3.45Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 2.95Å; T161-K164 PolarHBondContact O-N 3.5Å; T161-S165 WeakPolarHBondContact O-CB 3.39Å; T161-S165 PolarHBondContact O-N 3.42Å |
| 162 | F | 98 | Very high | 97.8 | Very high | 137 Ų | 137 | 100.3 Ų | 100.3 | 60% | 0.601 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.3 | -38.9 | 178 | -78 | -58.2 | 0 | 0 | 0 | 112.8 | Y158 I159 K164 S165 Y166 | Y158-F162 HydrophobicContact CD1-CD2 4.43Å; Y158-F162 AromaticContact CD1-CE2 3.71Å; Y158-F162 HydrophobicContact CD1-CE2 3.71Å; Y158-F162 HydrophobicContact CD1-CZ 4.35Å; Y158-F162 WeakPolarHBondContact O-CB 3.44Å; Y158-F162 WeakPolarHBondContact O-CD2 3.34Å; Y158-F162 PolarHBondContact O-N 3.44Å; I159-F162 PolarHBondContact O-N 2.97Å; F162-K164 VanDerWaalsContact C-N 3.34Å; F162-S165 PolarHBondContact O-N 2.88Å; F162-Y166 WeakPolarHBondContact O-CB 2.95Å; F162-Y166 PolarHBondContact O-N 3.19Å |
| 163 | Q | 98.1 | Very high | 97.8 | Very high | 103 Ų | 103 | 100.6 Ų | 100.6 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 173.6 | -76.2 | 176.4 | -6.4 | 0 | 0 | 111.3 | I159 T160 Y166 M167 | I159-Q163 HydrophobicContact CG2-CG 4.43Å; I159-Q163 WeakPolarHBondContact O-CB 3.36Å; I159-Q163 VanDerWaalsContact O-CG 3.28Å; I159-Q163 WeakPolarHBondContact O-CG 3.18Å; I159-Q163 PolarHBondContact O-N 3.12Å; T160-Q163 PolarHBondContact O-N 3.48Å; Q163-Y166 PolarHBondContact O-N 3.32Å; Q163-M167 WeakPolarHBondContact O-CG 3.24Å; Q163-M167 PolarHBondContact O-N 3.05Å |
| 164 | K | 98.1 | Very high | 97.8 | Very high | 131 Ų | 131 | 100.3 Ų | 100.3 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.7 | -50.1 | 175 | -174.4 | 179.8 | 177.8 | -176.9 | 0 | 111.9 | T160 T161 F162 Y166 M167 D168 | T160-K164 PolarHBondContact O-N 3.41Å; T161-K164 PolarHBondContact O-N 3.5Å; F162-K164 VanDerWaalsContact C-N 3.34Å; K164-Y166 VanDerWaalsContact C-N 3.27Å; K164-Y166 PolarHBondContact O-N 3.49Å; K164-M167 HydrophobicContact CB-CE 4.49Å; K164-M167 PolarHBondContact O-N 3.02Å; K164-M167 VanDerWaalsContact O-N 3.12Å; K164-D168 PolarHBondContact O-N 3.14Å |
| 165 | S | 98.3 | Very high | 97.9 | Very high | 62 Ų | 62 | 100.7 Ų | 100.7 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.4 | -41.8 | 177 | -179.9 | 0 | 0 | 0 | 0 | 112.2 | T161 F162 D168 V169 | T161-S165 WeakPolarHBondContact O-CB 3.39Å; T161-S165 PolarHBondContact O-N 3.42Å; F162-S165 PolarHBondContact O-N 2.88Å; S165-D168 PolarHBondContact O-N 3.19Å; S165-V169 WeakPolarHBondContact O-CG2 3.38Å; S165-V169 PolarHBondContact O-N 3.01Å |
| 166 | Y | 98.2 | Very high | 98 | Very high | 136 Ų | 136 | 105.4 Ų | 105.4 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 176.1 | -179.3 | -101 | 0 | 0 | 0 | 112.5 | F162 Q163 K164 V169 Q170 | F162-Y166 WeakPolarHBondContact O-CB 2.95Å; F162-Y166 PolarHBondContact O-N 3.19Å; Q163-Y166 PolarHBondContact O-N 3.32Å; K164-Y166 VanDerWaalsContact C-N 3.27Å; K164-Y166 PolarHBondContact O-N 3.49Å; Y166-V169 PolarHBondContact O-N 3Å; Y166-Q170 HydrophobicContact CE1-CG 4.22Å; Y166-Q170 VanDerWaalsContact CZ-NE2 3.26Å; Y166-Q170 PolarHBondContact O-N 3.38Å; Y166-Q170 PolarHBondContact OH-NE2 3.43Å |
| 167 | M | 98.3 | Very high | 98 | Very high | 110 Ų | 110 | 105.5 Ų | 105.5 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 174.9 | -69.3 | -174.5 | -65.1 | 0 | 0 | 112 | Q163 K164 V169 Q170 K171 | Q163-M167 WeakPolarHBondContact O-CG 3.24Å; Q163-M167 PolarHBondContact O-N 3.05Å; K164-M167 HydrophobicContact CB-CE 4.49Å; K164-M167 PolarHBondContact O-N 3.02Å; K164-M167 VanDerWaalsContact O-N 3.12Å; M167-V169 VanDerWaalsContact C-N 3.32Å; M167-V169 PolarHBondContact O-N 3.28Å; M167-Q170 WeakPolarHBondContact O-CB 3.37Å; M167-Q170 PolarHBondContact O-N 2.89Å; M167-K171 PolarHBondContact O-N 3.39Å |
| 168 | D | 98.4 | Very high | 98.1 | Very high | 86 Ų | 86 | 106.1 Ų | 106.1 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 177.6 | -69.8 | -25.3 | 0 | 0 | 0 | 111.4 | K164 S165 K171 F172 | K164-D168 PolarHBondContact O-N 3.14Å; S165-D168 PolarHBondContact O-N 3.19Å; D168-K171 PolarHBondContact O-N 3.35Å; D168-F172 WeakPolarHBondContact O-CB 3.43Å; D168-F172 PolarHBondContact O-N 3.17Å |
| 169 | V | 98.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 104.4 Ų | 104.4 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 174.1 | 170.1 | 0 | 0 | 0 | 0 | 111.9 | S165 Y166 M167 N173 | S165-V169 WeakPolarHBondContact O-CG2 3.38Å; S165-V169 PolarHBondContact O-N 3.01Å; Y166-V169 PolarHBondContact O-N 3Å; M167-V169 VanDerWaalsContact C-N 3.32Å; M167-V169 PolarHBondContact O-N 3.28Å; V169-N173 PolarHBondContact O-N 3.38Å; V169-N173 VanDerWaalsContact O-N 3.1Å; V169-N173 PolarHBondContact O-ND2 2.92Å; V169-N173 VanDerWaalsContact O-ND2 3.11Å |
| 170 | Q | 98.2 | Very high | 98.2 | Very high | 87 Ų | 87 | 104.9 Ų | 104.9 | 41% | 0.407 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 174.9 | -72.7 | -172.5 | -16.4 | 0 | 0 | 111.1 | Y166 M167 F172 N173 E174 | Y166-Q170 HydrophobicContact CE1-CG 4.22Å; Y166-Q170 VanDerWaalsContact CZ-NE2 3.26Å; Y166-Q170 PolarHBondContact O-N 3.38Å; Y166-Q170 PolarHBondContact OH-NE2 3.43Å; M167-Q170 WeakPolarHBondContact O-CB 3.37Å; M167-Q170 PolarHBondContact O-N 2.89Å; Q170-F172 VanDerWaalsContact C-N 3.33Å; Q170-F172 PolarHBondContact O-N 3.14Å; Q170-N173 WeakPolarHBondContact O-CB 3.33Å; Q170-N173 PolarHBondContact O-N 3.14Å; Q170-N173 VanDerWaalsContact O-N 3.08Å; Q170-E174 PolarHBondContact O-N 3.21Å; Q170-E174 VanDerWaalsContact O-N 3.09Å |
| 171 | K | 98.5 | Very high | 98.2 | Very high | 122 Ų | 122 | 104.3 Ų | 104.3 | 53% | 0.53 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 178.1 | -173.8 | -178.4 | 175.7 | -171.8 | 0 | 112.2 | M167 D168 N173 E174 E175 | M167-K171 PolarHBondContact O-N 3.39Å; D168-K171 PolarHBondContact O-N 3.35Å; K171-N173 VanDerWaalsContact C-N 3.3Å; K171-N173 PolarHBondContact O-N 3.08Å; K171-E174 PolarHBondContact O-N 2.86Å; K171-E175 VanDerWaalsContact CE-OE1 3.28Å; K171-E175 WeakPolarHBondContact CE-OE1 3.27Å; K171-E175 PolarHBondContact O-N 3.37Å |
| 172 | F | 98.4 | Very high | 98.2 | Very high | 126 Ų | 126 | 103.2 Ų | 103.2 | 55% | 0.553 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.5 | -41.7 | 175.1 | 172.7 | -99.4 | 0 | 0 | 0 | 112.2 | D168 Q170 E175 K176 | D168-F172 WeakPolarHBondContact O-CB 3.43Å; D168-F172 PolarHBondContact O-N 3.17Å; Q170-F172 VanDerWaalsContact C-N 3.33Å; Q170-F172 PolarHBondContact O-N 3.14Å; F172-E175 PolarHBondContact O-N 3.43Å; F172-K176 HydrophobicContact CE1-CD 4.33Å; F172-K176 VanDerWaalsContact O-CB 3.26Å; F172-K176 WeakPolarHBondContact O-CB 3.46Å; F172-K176 PolarHBondContact O-N 3.47Å |
| 173 | N | 98.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 100.3 Ų | 100.3 | 43% | 0.433 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 178.3 | -75.9 | -40.3 | 0 | 0 | 0 | 112.3 | V169 Q170 K171 K176 E177 | V169-N173 PolarHBondContact O-N 3.38Å; V169-N173 VanDerWaalsContact O-N 3.1Å; V169-N173 PolarHBondContact O-ND2 2.92Å; V169-N173 VanDerWaalsContact O-ND2 3.11Å; Q170-N173 WeakPolarHBondContact O-CB 3.33Å; Q170-N173 PolarHBondContact O-N 3.14Å; Q170-N173 VanDerWaalsContact O-N 3.08Å; K171-N173 VanDerWaalsContact C-N 3.3Å; K171-N173 PolarHBondContact O-N 3.08Å; N173-K176 PolarHBondContact O-N 3.24Å; N173-E177 PolarHBondContact O-N 3.4Å |
| 174 | E | 98.2 | Very high | 98.2 | Very high | 110 Ų | 110 | 100.2 Ų | 100.2 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 174.6 | -67.4 | 177.8 | -170.5 | 0 | 0 | 112.2 | Q170 K171 E177 K178 | Q170-E174 PolarHBondContact O-N 3.21Å; Q170-E174 VanDerWaalsContact O-N 3.09Å; K171-E174 PolarHBondContact O-N 2.86Å; E174-E177 PolarHBondContact O-N 2.63Å; E174-K178 WeakPolarHBondContact O-CG 3.45Å; E174-K178 PolarHBondContact O-N 3.2Å |
| 175 | E | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 101.2 Ų | 101.2 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 176.6 | -73.2 | 178.8 | -173.5 | 0 | 0 | 111.7 | K171 F172 E177 K178 S179 | K171-E175 VanDerWaalsContact CE-OE1 3.28Å; K171-E175 WeakPolarHBondContact CE-OE1 3.27Å; K171-E175 PolarHBondContact O-N 3.37Å; F172-E175 PolarHBondContact O-N 3.43Å; E175-E177 PolarHBondContact O-N 2.94Å; E175-K178 PolarHBondContact O-N 2.89Å; E175-S179 WeakPolarHBondContact O-CB 3.45Å; E175-S179 PolarHBondContact O-N 2.72Å |
| 176 | K | 98.1 | Very high | 98.2 | Very high | 116 Ų | 116 | 105 Ų | 105 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 174.3 | 178.1 | -175.8 | 173.1 | -178.9 | 0 | 111.6 | F172 N173 S179 V180 | F172-K176 HydrophobicContact CE1-CD 4.33Å; F172-K176 VanDerWaalsContact O-CB 3.26Å; F172-K176 WeakPolarHBondContact O-CB 3.46Å; F172-K176 PolarHBondContact O-N 3.47Å; N173-K176 PolarHBondContact O-N 3.24Å; K176-S179 PolarHBondContact O-N 3.16Å; K176-V180 VanDerWaalsContact O-CG2 3.31Å; K176-V180 WeakPolarHBondContact O-CG2 3.4Å; K176-V180 PolarHBondContact O-N 2.89Å |
| 177 | E | 98.1 | Very high | 98.2 | Very high | 129 Ų | 129 | 103.6 Ų | 103.6 | 60% | 0.603 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 178.1 | -174.9 | 173.4 | -178.5 | 0 | 0 | 111.6 | N173 E174 E175 S179 V180 N181 | N173-E177 PolarHBondContact O-N 3.4Å; E174-E177 PolarHBondContact O-N 2.63Å; E175-E177 PolarHBondContact O-N 2.94Å; E177-S179 VanDerWaalsContact C-N 3.34Å; E177-S179 PolarHBondContact O-N 2.75Å; E177-V180 PolarHBondContact O-N 3.47Å; E177-N181 VanDerWaalsContact O-CG 3.3Å; E177-N181 PolarHBondContact O-N 3.06Å; E177-N181 PolarHBondContact O-ND2 3.47Å |
| 178 | K | 98.2 | Very high | 98.2 | Very high | 141 Ų | 141 | 103.5 Ų | 103.5 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.2 | -45.6 | 174.1 | -71.3 | 170.8 | -174.3 | 168.4 | 0 | 111.8 | E174 E175 N181 S182 | E174-K178 WeakPolarHBondContact O-CG 3.45Å; E174-K178 PolarHBondContact O-N 3.2Å; E175-K178 PolarHBondContact O-N 2.89Å; K178-N181 PolarHBondContact O-N 3.23Å; K178-S182 PolarHBondContact O-N 3.5Å |
| 179 | S | 97.7 | Very high | 98.2 | Very high | 79 Ų | 79 | 102.2 Ų | 102.2 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 178.3 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | E175 K176 E177 N181 S182 C183 | E175-S179 WeakPolarHBondContact O-CB 3.45Å; E175-S179 PolarHBondContact O-N 2.72Å; K176-S179 PolarHBondContact O-N 3.16Å; E177-S179 VanDerWaalsContact C-N 3.34Å; E177-S179 PolarHBondContact O-N 2.75Å; S179-N181 VanDerWaalsContact C-N 3.35Å; S179-N181 PolarHBondContact O-N 3.5Å; S179-S182 PolarHBondContact O-N 3.48Å; S179-C183 WeakPolarHBondContact O-CB 3.35Å; S179-C183 PolarHBondContact O-N 2.91Å |
| 180 | V | 98.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 104.5 Ų | 104.5 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | K176 E177 S182 C183 Q184 | K176-V180 VanDerWaalsContact O-CG2 3.31Å; K176-V180 WeakPolarHBondContact O-CG2 3.4Å; K176-V180 PolarHBondContact O-N 2.89Å; E177-V180 PolarHBondContact O-N 3.47Å; V180-S182 VanDerWaalsContact C-N 3.34Å; V180-S182 PolarHBondContact O-N 2.7Å; V180-C183 PolarHBondContact O-N 3.43Å; V180-Q184 PolarHBondContact O-N 2.99Å |
| 181 | N | 98.2 | Very high | 98.2 | Very high | 76 Ų | 76 | 106.8 Ų | 106.8 | 41% | 0.406 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 177.9 | -71.9 | -26.6 | 0 | 0 | 0 | 112.2 | E177 K178 S179 Q184 K185 | E177-N181 VanDerWaalsContact O-CG 3.3Å; E177-N181 PolarHBondContact O-N 3.06Å; E177-N181 PolarHBondContact O-ND2 3.47Å; K178-N181 PolarHBondContact O-N 3.23Å; S179-N181 VanDerWaalsContact C-N 3.35Å; S179-N181 PolarHBondContact O-N 3.5Å; N181-Q184 PolarHBondContact O-N 2.9Å; N181-K185 WeakPolarHBondContact O-CG 3.34Å; N181-K185 PolarHBondContact O-N 3.43Å |
| 182 | S | 98.1 | Very high | 98.2 | Very high | 71 Ų | 71 | 107 Ų | 107 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 175.2 | -167.1 | 0 | 0 | 0 | 0 | 111.7 | K178 S179 V180 Q184 K185 E186 | K178-S182 PolarHBondContact O-N 3.5Å; S179-S182 PolarHBondContact O-N 3.48Å; V180-S182 VanDerWaalsContact C-N 3.34Å; V180-S182 PolarHBondContact O-N 2.7Å; S182-Q184 VanDerWaalsContact C-N 3.28Å; S182-Q184 PolarHBondContact O-N 2.98Å; S182-K185 WeakPolarHBondContact O-CB 3.45Å; S182-K185 PolarHBondContact O-N 2.91Å; S182-K185 VanDerWaalsContact O-N 3.13Å; S182-E186 PolarHBondContact O-N 3.19Å |
| 183 | C | 97.8 | Very high | 98.1 | Very high | 76 Ų | 76 | 104.6 Ų | 104.6 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | S179 V180 E186 Q187 | S179-C183 WeakPolarHBondContact O-CB 3.35Å; S179-C183 PolarHBondContact O-N 2.91Å; V180-C183 PolarHBondContact O-N 3.43Å; C183-E186 PolarHBondContact O-N 3.39Å; C183-Q187 VanDerWaalsContact O-CB 3.3Å; C183-Q187 WeakPolarHBondContact O-CB 3.3Å; C183-Q187 PolarHBondContact O-N 3.2Å |
| 184 | Q | 98.4 | Very high | 98.1 | Very high | 101 Ų | 101 | 107.4 Ų | 107.4 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 175.7 | -176.5 | 177.8 | -22.3 | 0 | 0 | 112.5 | V180 N181 S182 Q187 Q188 | V180-Q184 PolarHBondContact O-N 2.99Å; N181-Q184 PolarHBondContact O-N 2.9Å; S182-Q184 VanDerWaalsContact C-N 3.28Å; S182-Q184 PolarHBondContact O-N 2.98Å; Q184-Q187 PolarHBondContact O-N 2.84Å; Q184-Q188 WeakPolarHBondContact O-CG 3.38Å; Q184-Q188 PolarHBondContact O-N 2.84Å; Q184-Q188 VanDerWaalsContact O-N 3.07Å |
| 185 | K | 98.3 | Very high | 98.1 | Very high | 152 Ų | 152 | 105.3 Ų | 105.3 | 66% | 0.661 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.3 | -45.6 | 176.1 | -71.6 | 177.4 | -179.7 | -179.6 | 0 | 111.4 | N181 S182 Q187 Q188 A189 | N181-K185 WeakPolarHBondContact O-CG 3.34Å; N181-K185 PolarHBondContact O-N 3.43Å; S182-K185 WeakPolarHBondContact O-CB 3.45Å; S182-K185 PolarHBondContact O-N 2.91Å; S182-K185 VanDerWaalsContact O-N 3.13Å; K185-Q187 VanDerWaalsContact C-N 3.35Å; K185-Q187 PolarHBondContact O-N 2.78Å; K185-Q188 PolarHBondContact O-N 3.35Å; K185-A189 PolarHBondContact O-N 2.8Å |
| 186 | E | 97.8 | Very high | 98.1 | Very high | 140 Ų | 140 | 103.4 Ų | 103.4 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.3 | -41.3 | 177.7 | -171.2 | 174.9 | -176.8 | 0 | 0 | 111.6 | S182 C183 Q188 A189 L190 | S182-E186 PolarHBondContact O-N 3.19Å; C183-E186 PolarHBondContact O-N 3.39Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.15Å; E186-A189 PolarHBondContact O-N 3.22Å; E186-L190 WeakPolarHBondContact O-CB 3.34Å; E186-L190 PolarHBondContact O-N 2.88Å |
| 187 | Q | 98 | Very high | 98.1 | Very high | 108 Ų | 108 | 104.4 Ų | 104.4 | 51% | 0.505 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.6 | -38.7 | 174.6 | -170.2 | -175.2 | 26 | 0 | 0 | 112.2 | C183 Q184 K185 K191 | C183-Q187 VanDerWaalsContact O-CB 3.3Å; C183-Q187 WeakPolarHBondContact O-CB 3.3Å; C183-Q187 PolarHBondContact O-N 3.2Å; Q184-Q187 PolarHBondContact O-N 2.84Å; K185-Q187 VanDerWaalsContact C-N 3.35Å; K185-Q187 PolarHBondContact O-N 2.78Å; Q187-K191 WeakPolarHBondContact O-CG 3.45Å; Q187-K191 PolarHBondContact O-N 3.22Å; Q187-K191 VanDerWaalsContact O-N 3.17Å |
| 188 | Q | 98.3 | Very high | 98.1 | Very high | 108 Ų | 108 | 102.3 Ų | 102.3 | 51% | 0.505 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.3 | -45 | 174.9 | -72.6 | 178.1 | -2.9 | 0 | 0 | 111.7 | Q184 K185 E186 L190 K191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.38Å; Q184-Q188 PolarHBondContact O-N 2.84Å; Q184-Q188 VanDerWaalsContact O-N 3.07Å; K185-Q188 PolarHBondContact O-N 3.35Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.15Å; Q188-L190 VanDerWaalsContact C-N 3.33Å; Q188-L190 PolarHBondContact O-N 3.28Å; Q188-K191 PolarHBondContact O-N 3.44Å; Q188-L192 PolarHBondContact O-N 2.93Å; Q188-L192 VanDerWaalsContact O-N 3.09Å |
| 189 | A | 98.3 | Very high | 98 | Very high | 59 Ų | 59 | 101.7 Ų | 101.7 | 49% | 0.488 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K185 E186 K191 L192 S193 | K185-A189 PolarHBondContact O-N 2.8Å; E186-A189 PolarHBondContact O-N 3.22Å; A189-K191 PolarHBondContact O-N 3.09Å; A189-L192 PolarHBondContact O-N 3.46Å; A189-S193 WeakPolarHBondContact O-CB 3.38Å; A189-S193 PolarHBondContact O-N 3.4Å |
| 190 | L | 98.3 | Very high | 98 | Very high | 126 Ų | 126 | 102.5 Ų | 102.5 | 66% | 0.66 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.6 | -42.9 | 176.9 | -172.4 | 74.2 | 0 | 0 | 0 | 112.1 | E186 Q188 S193 K194 | E186-L190 WeakPolarHBondContact O-CB 3.34Å; E186-L190 PolarHBondContact O-N 2.88Å; Q188-L190 VanDerWaalsContact C-N 3.33Å; Q188-L190 PolarHBondContact O-N 3.28Å; L190-S193 PolarHBondContact O-N 2.85Å; L190-K194 WeakPolarHBondContact O-CB 3.5Å; L190-K194 PolarHBondContact O-N 2.98Å |
| 191 | K | 98.2 | Very high | 98 | Very high | 135 Ų | 135 | 103.2 Ų | 103.2 | 59% | 0.587 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.2 | -44.3 | 176.1 | -75.8 | 176 | -179 | 179.1 | 0 | 111.8 | Q187 Q188 A189 K194 C195 | Q187-K191 WeakPolarHBondContact O-CG 3.45Å; Q187-K191 PolarHBondContact O-N 3.22Å; Q187-K191 VanDerWaalsContact O-N 3.17Å; Q188-K191 PolarHBondContact O-N 3.44Å; A189-K191 PolarHBondContact O-N 3.09Å; K191-K194 PolarHBondContact O-N 2.99Å; K191-C195 PolarHBondContact O-N 2.92Å; K191-C195 VanDerWaalsContact O-N 3.09Å |
| 192 | L | 98.2 | Very high | 98 | Very high | 128 Ų | 128 | 104.5 Ų | 104.5 | 67% | 0.67 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.8 | -45 | 177.7 | -70.6 | 173.8 | 0 | 0 | 0 | 111.7 | Q188 A189 K194 C195 S196 | Q188-L192 PolarHBondContact O-N 2.93Å; Q188-L192 VanDerWaalsContact O-N 3.09Å; A189-L192 PolarHBondContact O-N 3.46Å; L192-K194 VanDerWaalsContact C-N 3.31Å; L192-K194 PolarHBondContact O-N 3.36Å; L192-C195 WeakPolarHBondContact O-CB 3.38Å; L192-C195 PolarHBondContact O-N 3.47Å; L192-S196 PolarHBondContact O-N 2.95Å |
| 193 | S | 97.9 | Very high | 98 | Very high | 75 Ų | 75 | 103.6 Ų | 103.6 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 176.4 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | A189 L190 S196 Q197 | A189-S193 WeakPolarHBondContact O-CB 3.38Å; A189-S193 PolarHBondContact O-N 3.4Å; L190-S193 PolarHBondContact O-N 2.85Å; S193-S196 PolarHBondContact O-N 3.19Å; S193-Q197 WeakPolarHBondContact O-CB 3.17Å; S193-Q197 PolarHBondContact O-N 2.89Å |
| 194 | K | 98.2 | Very high | 98 | Very high | 140 Ų | 140 | 101.8 Ų | 101.8 | 61% | 0.609 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.9 | -40.5 | 177.3 | -171.5 | 176.7 | -178.2 | 177 | 0 | 112.1 | L190 K191 L192 N198 | L190-K194 WeakPolarHBondContact O-CB 3.5Å; L190-K194 PolarHBondContact O-N 2.98Å; K191-K194 PolarHBondContact O-N 2.99Å; L192-K194 VanDerWaalsContact C-N 3.31Å; L192-K194 PolarHBondContact O-N 3.36Å; K194-N198 PolarHBondContact O-N 3.37Å; K194-N198 VanDerWaalsContact O-N 3.1Å |
| 195 | C | 98.1 | Very high | 97.9 | Very high | 65 Ų | 65 | 101.9 Ų | 101.9 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -47.8 | 175.8 | -171.2 | 0 | 0 | 0 | 0 | 111.4 | K191 L192 Q197 N198 Q199 | K191-C195 PolarHBondContact O-N 2.92Å; K191-C195 VanDerWaalsContact O-N 3.09Å; L192-C195 WeakPolarHBondContact O-CB 3.38Å; L192-C195 PolarHBondContact O-N 3.47Å; C195-Q197 PolarHBondContact O-N 2.98Å; C195-N198 PolarHBondContact O-N 3.15Å; C195-Q199 WeakPolarHBondContact O-CG 3.49Å; C195-Q199 PolarHBondContact O-N 2.77Å |
| 196 | S | 97.6 | Very high | 97.9 | Very high | 65 Ų | 65 | 99.3 Ų | 99.3 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 178.7 | 176.1 | 0 | 0 | 0 | 0 | 112.7 | L192 S193 N198 Q199 T200 | L192-S196 PolarHBondContact O-N 2.95Å; S193-S196 PolarHBondContact O-N 3.19Å; S196-N198 PolarHBondContact O-N 2.77Å; S196-Q199 PolarHBondContact O-N 3.49Å; S196-T200 PolarHBondContact O-N 3.39Å; S196-T200 PolarHBondContact O-OG1 3.49Å |
| 197 | Q | 97.8 | Very high | 97.9 | Very high | 137 Ų | 137 | 99.1 Ų | 99.1 | 64% | 0.64 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.6 | -44.4 | 175.5 | -172.3 | 179.5 | 25.5 | 0 | 0 | 111.6 | S193 C195 T200 L201 | S193-Q197 WeakPolarHBondContact O-CB 3.17Å; S193-Q197 PolarHBondContact O-N 2.89Å; C195-Q197 PolarHBondContact O-N 2.98Å; Q197-T200 PolarHBondContact O-N 2.93Å; Q197-L201 PolarHBondContact O-N 3.31Å |
| 198 | N | 98 | Very high | 97.8 | Very high | 85 Ų | 85 | 100 Ų | 100 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 176.6 | -74.1 | -13.1 | 0 | 0 | 0 | 111.8 | K194 C195 S196 T200 L201 E202 | K194-N198 PolarHBondContact O-N 3.37Å; K194-N198 VanDerWaalsContact O-N 3.1Å; C195-N198 PolarHBondContact O-N 3.15Å; S196-N198 PolarHBondContact O-N 2.77Å; N198-T200 VanDerWaalsContact C-N 3.33Å; N198-T200 PolarHBondContact O-N 2.9Å; N198-L201 WeakPolarHBondContact O-CB 3.33Å; N198-L201 PolarHBondContact O-N 2.98Å; N198-E202 WeakPolarHBondContact O-CG 3.43Å; N198-E202 PolarHBondContact O-N 3.22Å |
| 199 | Q | 97.6 | Very high | 97.8 | Very high | 128 Ų | 128 | 101.4 Ų | 101.4 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.7 | -42.4 | 176.3 | -72.7 | 173.9 | -14.2 | 0 | 0 | 112.1 | C195 S196 L201 E202 A203 | C195-Q199 WeakPolarHBondContact O-CG 3.49Å; C195-Q199 PolarHBondContact O-N 2.77Å; S196-Q199 PolarHBondContact O-N 3.49Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 2.94Å; Q199-E202 PolarHBondContact O-N 2.89Å; Q199-A203 PolarHBondContact O-N 3Å |
| 200 | T | 97.8 | Very high | 97.7 | Very high | 96 Ų | 96 | 103.8 Ų | 103.8 | 59% | 0.589 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.5 | -40.5 | 177.3 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | S196 Q197 N198 A203 G204 | S196-T200 PolarHBondContact O-N 3.39Å; S196-T200 PolarHBondContact O-OG1 3.49Å; Q197-T200 PolarHBondContact O-N 2.93Å; N198-T200 VanDerWaalsContact C-N 3.33Å; N198-T200 PolarHBondContact O-N 2.9Å; T200-A203 PolarHBondContact O-N 3.39Å; T200-G204 PolarHBondContact O-N 3.47Å |
| 201 | L | 97.8 | Very high | 97.6 | Very high | 96 Ų | 96 | 101.1 Ų | 101.1 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 175.6 | 178.6 | 63.6 | 0 | 0 | 0 | 111.8 | Q197 N198 Q199 G204 K205 | Q197-L201 PolarHBondContact O-N 3.31Å; N198-L201 WeakPolarHBondContact O-CB 3.33Å; N198-L201 PolarHBondContact O-N 2.98Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 2.94Å; L201-G204 PolarHBondContact O-N 3.4Å; L201-K205 WeakPolarHBondContact O-CG 3.27Å; L201-K205 PolarHBondContact O-N 2.91Å |
| 202 | E | 97.9 | Very high | 97.4 | Very high | 104 Ų | 104 | 98.7 Ų | 98.7 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 178 | -66.2 | -50.6 | 129.1 | 0 | 0 | 112.2 | N198 Q199 G204 K205 E206 | N198-E202 WeakPolarHBondContact O-CG 3.43Å; N198-E202 PolarHBondContact O-N 3.22Å; Q199-E202 PolarHBondContact O-N 2.89Å; E202-G204 VanDerWaalsContact C-N 3.3Å; E202-G204 PolarHBondContact O-N 2.98Å; E202-K205 WeakPolarHBondContact O-CB 3.41Å; E202-K205 PolarHBondContact O-N 3.33Å; E202-K205 IonicContact OE1-NZ 3.71Å; E202-K205 PolarHBondContact OE1-NZ 2.88Å; E202-K205 IonicContact OE2-NZ 2.77Å; E202-E206 PolarHBondContact O-N 3.44Å |
| 203 | A | 97.8 | Very high | 97.3 | Very high | 51 Ų | 51 | 97.8 Ų | 97.8 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q199 T200 E206 M207 | Q199-A203 PolarHBondContact O-N 3Å; T200-A203 PolarHBondContact O-N 3.39Å; A203-E206 PolarHBondContact O-N 2.92Å; A203-M207 WeakPolarHBondContact O-CG 3.4Å; A203-M207 PolarHBondContact O-N 3.42Å |
| 204 | G | 97.5 | Very high | 97.1 | Very high | 38 Ų | 38 | 98.3 Ų | 98.3 | 39% | 0.392 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | T200 L201 E202 H208 | T200-G204 PolarHBondContact O-N 3.47Å; L201-G204 PolarHBondContact O-N 3.4Å; E202-G204 VanDerWaalsContact C-N 3.3Å; E202-G204 PolarHBondContact O-N 2.98Å; G204-H208 PolarHBondContact O-N 3.5Å; G204-H208 VanDerWaalsContact O-N 3.1Å |
| 205 | K | 97.8 | Very high | 96.9 | Very high | 104 Ų | 104 | 96.9 Ų | 96.9 | 45% | 0.452 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -46 | 175.3 | -70 | 172.6 | -176.1 | 168.8 | 0 | 111.9 | L201 E202 M207 H208 E209 | L201-K205 WeakPolarHBondContact O-CG 3.27Å; L201-K205 PolarHBondContact O-N 2.91Å; E202-K205 WeakPolarHBondContact O-CB 3.41Å; E202-K205 PolarHBondContact O-N 3.33Å; E202-K205 IonicContact OE1-NZ 3.71Å; E202-K205 PolarHBondContact OE1-NZ 2.88Å; E202-K205 IonicContact OE2-NZ 2.77Å; K205-M207 PolarHBondContact O-N 3.31Å; K205-H208 WeakPolarHBondContact O-CB 3.46Å; K205-H208 PolarHBondContact O-N 3.34Å; K205-E209 PolarHBondContact O-N 2.81Å |
| 206 | E | 97.6 | Very high | 96.6 | Very high | 98 Ų | 98 | 99.4 Ų | 99.4 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 179.3 | -172 | -172.2 | 166.1 | 0 | 0 | 111.7 | E202 A203 H208 E209 K210 | E202-E206 PolarHBondContact O-N 3.44Å; A203-E206 PolarHBondContact O-N 2.92Å; E206-H208 PolarHBondContact O-N 2.91Å; E206-E209 PolarHBondContact O-N 2.68Å; E206-K210 HydrophobicContact CG-CD 4.48Å; E206-K210 WeakPolarHBondContact O-CG 3.25Å; E206-K210 PolarHBondContact O-N 3.16Å; E206-K210 WeakPolarHBondContact OE1-CE 3.33Å; E206-K210 IonicContact OE1-NZ 2.63Å; E206-K210 PolarHBondContact OE1-NZ 3.48Å |
| 207 | M | 97.1 | Very high | 96.3 | Very high | 135 Ų | 135 | 100.2 Ų | 100.2 | 67% | 0.665 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -39.9 | 175.3 | -72.2 | -141.3 | -59.6 | 0 | 0 | 112.6 | A203 K205 S211 | A203-M207 WeakPolarHBondContact O-CG 3.4Å; A203-M207 PolarHBondContact O-N 3.42Å; K205-M207 PolarHBondContact O-N 3.31Å; M207-S211 WeakPolarHBondContact O-CB 3.21Å; M207-S211 PolarHBondContact O-N 2.94Å; M207-S211 PolarHBondContact O-OG 3.15Å |
| 208 | H | 97.4 | Very high | 95.8 | Very high | 127 Ų | 127 | 98.8 Ų | 98.8 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.9 | -46 | 175.6 | 174.7 | -87.3 | 0 | 0 | 0 | 111.3 | G204 K205 E206 S211 M212 | G204-H208 PolarHBondContact O-N 3.5Å; G204-H208 VanDerWaalsContact O-N 3.1Å; K205-H208 WeakPolarHBondContact O-CB 3.46Å; K205-H208 PolarHBondContact O-N 3.34Å; E206-H208 PolarHBondContact O-N 2.91Å; H208-S211 PolarHBondContact O-N 3.46Å; H208-M212 WeakPolarHBondContact O-CG 3.44Å; H208-M212 PolarHBondContact O-N 3.15Å |
| 209 | E | 96.7 | Very high | 95 | Very high | 137 Ų | 137 | 97.4 Ų | 97.4 | 64% | 0.64 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.9 | -49.7 | 177 | -174.1 | 172.1 | -168.3 | 0 | 0 | 112 | K205 E206 S211 M212 E213 | K205-E209 PolarHBondContact O-N 2.81Å; E206-E209 PolarHBondContact O-N 2.68Å; E209-S211 VanDerWaalsContact C-N 3.3Å; E209-S211 PolarHBondContact O-N 3.41Å; E209-M212 PolarHBondContact O-N 3.19Å; E209-E213 PolarHBondContact O-N 3.37Å |
| 210 | K | 96.5 | Very high | 94 | Very high | 110 Ų | 110 | 96.4 Ų | 96.4 | 48% | 0.478 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.8 | -39.9 | 175.1 | -72.6 | 176.6 | -175.2 | 168.7 | 0 | 112.7 | E206 E213 V214 | E206-K210 HydrophobicContact CG-CD 4.48Å; E206-K210 WeakPolarHBondContact O-CG 3.25Å; E206-K210 PolarHBondContact O-N 3.16Å; E206-K210 WeakPolarHBondContact OE1-CE 3.33Å; E206-K210 IonicContact OE1-NZ 2.63Å; E206-K210 PolarHBondContact OE1-NZ 3.48Å; K210-E213 PolarHBondContact O-N 3.27Å; K210-V214 WeakPolarHBondContact O-CG2 3.36Å; K210-V214 PolarHBondContact O-N 2.89Å |
| 211 | S | 95.9 | Very high | 92.4 | Very high | 69 Ų | 69 | 100.2 Ų | 100.2 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 178.4 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | M207 H208 E209 V214 L215 | M207-S211 WeakPolarHBondContact O-CB 3.21Å; M207-S211 PolarHBondContact O-N 2.94Å; M207-S211 PolarHBondContact O-OG 3.15Å; H208-S211 PolarHBondContact O-N 3.46Å; E209-S211 VanDerWaalsContact C-N 3.3Å; E209-S211 PolarHBondContact O-N 3.41Å; S211-V214 PolarHBondContact O-N 3.49Å; S211-L215 WeakPolarHBondContact O-CG 3.49Å; S211-L215 PolarHBondContact O-N 3.41Å |
| 212 | M | 95.1 | Very high | 90.1 | Very high | 85 Ų | 85 | 105.6 Ų | 105.6 | 42% | 0.419 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.7 | -40.3 | 175.7 | -70.8 | -61.3 | -64.4 | 0 | 0 | 111.9 | H208 E209 L215 M216 | H208-M212 WeakPolarHBondContact O-CG 3.44Å; H208-M212 PolarHBondContact O-N 3.15Å; E209-M212 PolarHBondContact O-N 3.19Å; M212-L215 PolarHBondContact O-N 2.74Å; M212-L215 HydrophobicContact SD-CD1 4.45Å; M212-M216 HydrophobicContact CB-CE 4.47Å; M212-M216 WeakPolarHBondContact O-CG 3.39Å; M212-M216 PolarHBondContact O-N 2.9Å |
| 213 | E | 95 | Very high | 89.7 | Confident | 109 Ų | 109 | 105.7 Ų | 105.7 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.8 | -45.7 | 175.4 | -173.6 | -178.9 | -177.3 | 0 | 0 | 112.2 | E209 K210 L215 M216 N217 | E209-E213 PolarHBondContact O-N 3.37Å; K210-E213 PolarHBondContact O-N 3.27Å; E213-L215 VanDerWaalsContact C-N 3.34Å; E213-L215 PolarHBondContact O-N 3.19Å; E213-M216 PolarHBondContact O-N 3.05Å; E213-N217 WeakPolarHBondContact O-CB 3.19Å; E213-N217 VanDerWaalsContact O-CG 3.28Å; E213-N217 PolarHBondContact O-N 3.16Å; E213-N217 PolarHBondContact O-ND2 2.93Å; E213-N217 VanDerWaalsContact O-ND2 3.15Å |
| 214 | V | 94.7 | Very high | 89.3 | Confident | 86 Ų | 86 | 108.5 Ų | 108.5 | 52% | 0.521 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.1 | -44 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | K210 S211 N217 L218 | K210-V214 WeakPolarHBondContact O-CG2 3.36Å; K210-V214 PolarHBondContact O-N 2.89Å; S211-V214 PolarHBondContact O-N 3.49Å; V214-N217 PolarHBondContact O-N 3Å; V214-L218 HydrophobicContact CG1-CD1 3.9Å; V214-L218 WeakPolarHBondContact O-CG 3.46Å; V214-L218 PolarHBondContact O-N 3.31Å |
| 215 | L | 93.4 | Very high | 88.9 | Confident | 109 Ų | 109 | 112.4 Ų | 112.4 | 57% | 0.571 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.5 | -42.8 | 177.5 | -70.9 | 174.1 | 0 | 0 | 0 | 112.3 | S211 M212 E213 L218 G219 | S211-L215 WeakPolarHBondContact O-CG 3.49Å; S211-L215 PolarHBondContact O-N 3.41Å; M212-L215 PolarHBondContact O-N 2.74Å; M212-L215 HydrophobicContact SD-CD1 4.45Å; E213-L215 VanDerWaalsContact C-N 3.34Å; E213-L215 PolarHBondContact O-N 3.19Å; L215-L218 PolarHBondContact O-N 2.9Å; L215-G219 PolarHBondContact O-N 3.48Å; L215-G219 VanDerWaalsContact O-N 3.08Å |
| 216 | M | 91.4 | Very high | 88.3 | Confident | 119 Ų | 119 | 112.9 Ų | 112.9 | 59% | 0.586 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.4 | -42.2 | 175.5 | -73.5 | -173.7 | -73.3 | 0 | 0 | 111.8 | M212 E213 L218 G219 T220 | M212-M216 HydrophobicContact CB-CE 4.47Å; M212-M216 WeakPolarHBondContact O-CG 3.39Å; M212-M216 PolarHBondContact O-N 2.9Å; E213-M216 PolarHBondContact O-N 3.05Å; M216-L218 VanDerWaalsContact C-N 3.33Å; M216-L218 PolarHBondContact O-N 2.94Å; M216-G219 PolarHBondContact O-N 3.24Å; M216-T220 WeakPolarHBondContact O-CG2 3.45Å; M216-T220 PolarHBondContact O-N 3.39Å; M216-T220 PolarHBondContact O-OG1 3.46Å |
| 217 | N | 91.4 | Very high | 87.8 | Confident | 82 Ų | 82 | 113.9 Ų | 113.9 | 44% | 0.439 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.8 | -25.7 | 178.4 | -73.2 | -32.8 | 0 | 0 | 0 | 113.9 | E213 V214 T220 | E213-N217 WeakPolarHBondContact O-CB 3.19Å; E213-N217 VanDerWaalsContact O-CG 3.28Å; E213-N217 PolarHBondContact O-N 3.16Å; E213-N217 PolarHBondContact O-ND2 2.93Å; E213-N217 VanDerWaalsContact O-ND2 3.15Å; V214-N217 PolarHBondContact O-N 3Å; N217-T220 PolarHBondContact O-OG1 2.98Å |
| 218 | L | 88.5 | Confident | 87.1 | Confident | 106 Ų | 106 | 112.5 Ų | 112.5 | 56% | 0.555 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -75.7 | -38.8 | 172.1 | -79.8 | 160.2 | 0 | 0 | 0 | 111.4 | V214 L215 M216 T220 K221 | V214-L218 HydrophobicContact CG1-CD1 3.9Å; V214-L218 WeakPolarHBondContact O-CG 3.46Å; V214-L218 PolarHBondContact O-N 3.31Å; L215-L218 PolarHBondContact O-N 2.9Å; M216-L218 VanDerWaalsContact C-N 3.33Å; M216-L218 PolarHBondContact O-N 2.94Å; L218-T220 VanDerWaalsContact C-N 3.27Å; L218-T220 PolarHBondContact O-N 3.12Å; L218-K221 PolarHBondContact O-N 3.26Å |
| 219 | G | 81.2 | Confident | 86.4 | Confident | 56 Ų | 56 | 111.4 Ų | 111.4 | 58% | 0.577 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.2 | -22.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | L215 M216 | L215-G219 PolarHBondContact O-N 3.48Å; L215-G219 VanDerWaalsContact O-N 3.08Å; M216-G219 PolarHBondContact O-N 3.24Å |
| 220 | T | 76.4 | Confident | 85.6 | Confident | 108 Ų | 108 | 109.5 Ų | 109.5 | 66% | 0.663 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -7.7 | 178.2 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | M216 N217 L218 | M216-T220 WeakPolarHBondContact O-CG2 3.45Å; M216-T220 PolarHBondContact O-N 3.39Å; M216-T220 PolarHBondContact O-OG1 3.46Å; N217-T220 PolarHBondContact O-OG1 2.98Å; L218-T220 VanDerWaalsContact C-N 3.27Å; L218-T220 PolarHBondContact O-N 3.12Å |
| 221 | K | 63.6 | Low | 84.7 | Confident | 175 Ų | 175 | 109.4 Ų | 109.4 | 76% | 0.761 | 60% | 0.6 | S | S | * | * | trans | -98 | 4.4 | -178.9 | -76.6 | -177.8 | 179 | 177 | 0 | 114.6 | L218 | L218-K221 PolarHBondContact O-N 3.26Š| ||
| 222 | N | 49.8 | Very low | 83.7 | Confident | 209 Ų | 209 | 113.1 Ų | 113.1 | 100% | 1.118 | 61% | 0.611 | S | S | * | * | trans | -113.3 | 0 | 170 | -75.4 | -21.9 | 0 | 0 | 0 | 110.1 |
Retrieved 222 of 222 residues in 226.7 ms
(Link to these results)