| 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 | 38.1 | Very low | 42.6 | Very low | 237 Ų | 237 | 173.2 Ų | 173.2 | 100% | 1.167 | 87% | 0.874 | S | S | * | * | 0 | 127 | 0 | -74 | -163.7 | -174.9 | 0 | 0 | 108.7 | |||||
| 2 | M | 37.8 | Very low | 42.8 | Very low | 194 Ų | 194 | 172.5 Ų | 172.5 | 96% | 0.956 | 87% | 0.874 | S | S | * | * | trans | -81.9 | 132.7 | -166.5 | -59.5 | 166.5 | 83 | 0 | 0 | 111.5 | ||||
| 3 | F | 40.3 | Very low | 42.5 | Very low | 203 Ų | 203 | 168.6 Ų | 168.6 | 89% | 0.89 | 87% | 0.872 | S | S | * | * | trans | -90.3 | 112.8 | 170.5 | -71.8 | -81.3 | 0 | 0 | 0 | 109.6 | L5 | F3-L5 PolarHBondContact O-N 3.38Š| ||
| 4 | A | 41.8 | Very low | 42.4 | Very low | 95 Ų | 95 | 172.7 Ų | 172.7 | 79% | 0.785 | 87% | 0.871 | S | S | * | * | trans | -85.4 | 108.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | R6 | A4-R6 PolarHBondContact O-N 3.39Š| ||
| 5 | L | 42.8 | Very low | 42.3 | Very low | 164 Ų | 164 | 169.9 Ų | 169.9 | 86% | 0.859 | 87% | 0.866 | S | S | * | * | trans | -75.9 | 110 | 168.8 | -75 | 163.3 | 0 | 0 | 0 | 109.3 | F3 V7 | F3-L5 PolarHBondContact O-N 3.38Å; L5-V7 PolarHBondContact O-N 3Å | ||
| 6 | R | 43.6 | Very low | 42.4 | Very low | 240 Ų | 240 | 166.6 Ų | 166.6 | 91% | 0.906 | 86% | 0.857 | S | S | * | * | trans | -81.4 | 104.1 | 171.1 | -73.7 | -174.8 | 175.4 | -179 | -1.2 | 109.8 | A4 | A4-R6 PolarHBondContact O-N 3.39Š| ||
| 7 | V | 42.6 | Very low | 42 | Very low | 131 Ų | 131 | 170.4 Ų | 170.4 | 79% | 0.794 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 126 | 169.2 | 176.4 | 0 | 0 | 0 | 0 | 108.9 | L5 | L5-V7 PolarHBondContact O-N 3Š|
| 8 | V | 44.4 | Very low | 41.8 | Very low | 124 Ų | 124 | 165.1 Ų | 165.1 | 75% | 0.752 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 120.7 | 172.7 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | R10 | V8-R10 PolarHBondContact O-N 3.48Š|
| 9 | P | 47 | Very low | 41.7 | Very low | 112 Ų | 112 | 163.6 Ų | 163.6 | 73% | 0.727 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 122.6 | 176.3 | 30.2 | -30.2 | 0 | 0 | 0 | 110.4 | L11 | P9-L11 PolarHBondContact O-N 3.28Š|
| 10 | R | 43.3 | Very low | 41.6 | Very low | 231 Ų | 231 | 164.8 Ų | 164.8 | 87% | 0.872 | 86% | 0.855 | S | S | * | * | trans | -79.2 | 110.7 | 169.4 | -68.3 | 180 | 177.3 | -178.6 | 0.6 | 108.6 | V8 L12 | V8-R10 PolarHBondContact O-N 3.48Å; R10-L12 PolarHBondContact O-N 3.16Å | ||
| 11 | L | 47.4 | Very low | 41.7 | Very low | 174 Ų | 174 | 162.7 Ų | 162.7 | 91% | 0.911 | 85% | 0.849 | S | S | * | * | trans | -70.7 | 109.2 | 168.2 | -71.2 | 165.5 | 0 | 0 | 0 | 109.1 | P9 | P9-L11 PolarHBondContact O-N 3.28Š| ||
| 12 | L | 44.1 | Very low | 41.5 | Very low | 165 Ų | 165 | 160.4 Ų | 160.4 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | trans | -91.1 | 103.3 | 167.3 | -69.9 | 168.5 | 0 | 0 | 0 | 108 | R10 R14 | R10-L12 PolarHBondContact O-N 3.16Å; L12-R14 PolarHBondContact O-N 3.3Å | ||
| 13 | S | 40 | Very low | 41.4 | Very low | 122 Ų | 122 | 154.8 Ų | 154.8 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -81.4 | 95.3 | 168.4 | 39.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 14 | R | 40.4 | Very low | 41.1 | Very low | 226 Ų | 226 | 149 Ų | 149 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -89 | 111.5 | 171.6 | -158 | 176.9 | -179.7 | -164.2 | -0.7 | 107.8 | L12 | L12-R14 PolarHBondContact O-N 3.3Š| ||
| 15 | T | 41.5 | Very low | 41.2 | Very low | 131 Ų | 131 | 152 Ų | 152 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -83.8 | 119.9 | 169.3 | 38 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 16 | T | 42.7 | Very low | 41.2 | Very low | 117 Ų | 117 | 151 Ų | 151 | 72% | 0.718 | 82% | 0.82 | S | S | * | * | trans | -131.1 | 109.4 | 165.4 | 47 | 0 | 0 | 0 | 0 | 108 | ||||
| 17 | Y | 36.9 | Very low | 40.9 | Very low | 231 Ų | 231 | 147 Ų | 147 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -60.7 | 130.7 | 160.4 | -88.1 | -101.4 | 0 | 0 | 0 | 108.8 | ||||
| 18 | G | 38.5 | Very low | 40.8 | Very low | 75 Ų | 75 | 146.6 Ų | 146.6 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -144.7 | 101.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 19 | V | 39.6 | Very low | 40.5 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -72.9 | 124.9 | 166.8 | 168.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 20 | Q | 40 | Very low | 40.5 | Very low | 188 Ų | 188 | 149 Ų | 149 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | -144.5 | 123.8 | 158.8 | -145.2 | 165 | 19.1 | 0 | 0 | 110.8 | ||||
| 21 | V | 42 | Very low | 40.5 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | trans | -77 | 131.9 | 173.1 | 170.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 22 | H | 35 | Very low | 40.6 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | trans | -160.9 | 131.1 | 148.4 | -119.3 | -79.2 | 0 | 0 | 0 | 110.8 | ||||
| 23 | G | 36.3 | Very low | 40.5 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -75 | 154.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 24 | G | 34.2 | Very low | 40.4 | Very low | 82 Ų | 82 | 137.7 Ų | 137.7 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -176.9 | 120.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 25 | I | 43.1 | Very low | 40.4 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -88.3 | 146.9 | -175 | -78.9 | 169.2 | 0 | 0 | 0 | 109.9 | ||||
| 26 | L | 41.9 | Very low | 40.8 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 70.2 | 111.5 | 170.3 | -63.8 | 161.6 | 0 | 0 | 0 | 117.7 | ||||
| 27 | N | 38.9 | Very low | 40.7 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | -164.1 | 116.8 | 115.7 | -104.8 | -15.7 | 0 | 0 | 0 | 112.9 | C29 | N27-C29 PolarHBondContact O-N 3.46Š| |||
| 28 | T | 40 | Very low | 41.1 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -24.7 | 117.3 | 150.8 | -39.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 29 | C | 37 | Very low | 41.3 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -164 | 95.8 | 149 | -115 | 0 | 0 | 0 | 0 | 108.9 | N27 P31 | N27-C29 PolarHBondContact O-N 3.46Å; C29-P31 WeakPolarHBondContact O-CD 3.48Å | ||
| 30 | L | 48.2 | Very low | 41.6 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -67.1 | 133 | 159.9 | -68.6 | 163.3 | 0 | 0 | 0 | 108.3 | ||||
| 31 | P | 42.1 | Very low | 42.1 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | trans | -98.4 | 96.9 | 142.4 | 27.1 | -16.7 | 0 | 0 | 0 | 107.6 | C29 S33 | C29-P31 WeakPolarHBondContact O-CD 3.48Å; P31-S33 VanDerWaalsContact C-N 3.34Å; P31-S33 PolarHBondContact O-N 3.04Å; P31-S33 VanDerWaalsContact O-N 3.09Å | ||
| 32 | S | 50.7 | Low | 42.4 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -57.2 | 103.7 | 148.4 | 174.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 33 | S | 42.1 | Very low | 43.2 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | trans | -166.8 | 62.2 | 159.6 | 24.6 | 0 | 0 | 0 | 0 | 108 | P31 S35 | P31-S33 VanDerWaalsContact C-N 3.34Å; P31-S33 PolarHBondContact O-N 3.04Å; P31-S33 VanDerWaalsContact O-N 3.09Å; S33-S35 PolarHBondContact O-N 3.38Å | ||
| 34 | C | 37.2 | Very low | 43.9 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 91% | 0.905 | 77% | 0.773 | S | S | * | * | trans | -64.4 | 78.8 | 152.2 | -65.7 | 0 | 0 | 0 | 0 | 107.1 | S36 | C34-S36 PolarHBondContact O-N 3.09Å; C34-S36 VanDerWaalsContact O-N 3.09Å | ||
| 35 | S | 40.5 | Very low | 44.7 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | trans | -61.2 | 111.4 | 153.9 | 45.8 | 0 | 0 | 0 | 0 | 104.9 | S33 L37 | S33-S35 PolarHBondContact O-N 3.38Å; S35-L37 PolarHBondContact O-N 3.46Å | ||
| 36 | S | 50.1 | Low | 45.3 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -61.1 | 82.5 | 164 | 50.3 | 0 | 0 | 0 | 0 | 106.6 | C34 Q38 | C34-S36 PolarHBondContact O-N 3.09Å; C34-S36 VanDerWaalsContact O-N 3.09Å; S36-Q38 PolarHBondContact O-N 3.05Å | ||
| 37 | L | 39.3 | Very low | 46.1 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | -69.6 | 89.9 | 169 | -156.9 | 145.4 | 0 | 0 | 0 | 103.6 | S35 Q39 | S35-L37 PolarHBondContact O-N 3.46Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 3.16Å | ||
| 38 | Q | 45.5 | Very low | 47 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | -41.8 | 105.7 | 170.9 | -71.6 | -174 | -33.3 | 0 | 0 | 105.6 | S36 K40 | S36-Q38 PolarHBondContact O-N 3.05Å; Q38-K40 PolarHBondContact O-N 3.49Å | ||
| 39 | Q | 42.9 | Very low | 47.9 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | trans | -65.6 | 90.9 | 172.5 | -79.5 | -179.5 | -8.1 | 0 | 0 | 104.1 | L37 L41 | L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 3.16Å; Q39-L41 PolarHBondContact O-N 3.45Å | ||
| 40 | K | 46.8 | Very low | 49.2 | Very low | 195 Ų | 195 | 134.2 Ų | 134.2 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | trans | -54.9 | 102.2 | 160.9 | -111.9 | -175.9 | 176.3 | 179.5 | 0 | 104 | Q38 R42 | Q38-K40 PolarHBondContact O-N 3.49Å; K40-R42 PolarHBondContact O-N 3.17Å | ||
| 41 | L | 50.7 | Low | 50.1 | Low | 143 Ų | 143 | 130.9 Ų | 130.9 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | trans | -51.1 | 95.1 | 168.5 | -87.4 | 148.6 | 0 | 0 | 0 | 106.3 | Q39 N43 | Q39-L41 PolarHBondContact O-N 3.45Å; L41-N43 PolarHBondContact O-N 3.43Å | ||
| 42 | R | 47.8 | Very low | 51 | Low | 199 Ų | 199 | 133.7 Ų | 133.7 | 75% | 0.751 | 74% | 0.736 | S | S | * | * | trans | -74.7 | 92.9 | 170.6 | -101.6 | -168.7 | 173.1 | -163.3 | -0.8 | 104.9 | K40 Y44 | K40-R42 PolarHBondContact O-N 3.17Å; R42-Y44 HydrophobicContact CB-CE2 4.34Å; R42-Y44 WeakPolarHBondContact O-CD2 3.49Å; R42-Y44 PolarHBondContact O-N 3.03Å | ||
| 43 | N | 52.4 | Low | 51.5 | Low | 96 Ų | 96 | 130.3 Ų | 130.3 | 51% | 0.513 | 71% | 0.711 | S | S | . | * | trans | -61.4 | 102.3 | 167.5 | -63.7 | -22.7 | 0 | 0 | 0 | 106.8 | L41 S45 | L41-N43 PolarHBondContact O-N 3.43Å; N43-S45 PolarHBondContact O-N 3.42Å | ||
| 44 | Y | 49.8 | Very low | 52.5 | Low | 204 Ų | 204 | 130.3 Ų | 130.3 | 80% | 0.8 | 71% | 0.709 | S | S | * | * | trans | -70.3 | 110 | 175.4 | -75.2 | -90 | 0 | 0 | 0 | 108.1 | R42 | R42-Y44 HydrophobicContact CB-CE2 4.34Å; R42-Y44 WeakPolarHBondContact O-CD2 3.49Å; R42-Y44 PolarHBondContact O-N 3.03Å | ||
| 45 | S | 51.2 | Low | 53.4 | Low | 58 Ų | 58 | 134.5 Ų | 134.5 | 41% | 0.406 | 71% | 0.706 | S | S | . | * | trans | -89.3 | 126.4 | 169.5 | -172.4 | 0 | 0 | 0 | 0 | 108.8 | N43 A47 | N43-S45 PolarHBondContact O-N 3.42Å; S45-A47 PolarHBondContact OG-N 2.94Å | ||
| 46 | T | 56.6 | Low | 54.2 | Low | 155 Ų | 155 | 141.4 Ų | 141.4 | 95% | 0.951 | 72% | 0.717 | S | S | * | * | trans | -84.9 | 5.5 | 171.6 | 32.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 47 | A | 57.4 | Low | 54.6 | Low | 59 Ų | 59 | 140.8 Ų | 140.8 | 49% | 0.488 | 71% | 0.709 | S | S | . | * | trans | -74.1 | 132.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S45 D49 | S45-A47 PolarHBondContact OG-N 2.94Å; A47-D49 PolarHBondContact O-N 3.39Å | ||
| 48 | A | 59 | Low | 55.5 | Low | 100 Ų | 100 | 140.6 Ų | 140.6 | 83% | 0.826 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -68 | -22.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 49 | D | 58.9 | Low | 56.2 | Low | 120 Ų | 120 | 137 Ų | 137 | 64% | 0.642 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -99.8 | 131.5 | 175.4 | -54.8 | -38 | 0 | 0 | 0 | 107.4 | A47 T51 | A47-D49 PolarHBondContact O-N 3.39Å; D49-T51 PolarHBondContact O-N 3.43Å |
| 50 | N | 62.8 | Low | 57.1 | Low | 172 Ų | 172 | 135.1 Ų | 135.1 | 92% | 0.92 | 68% | 0.681 | S | S | * | * | trans | -66.1 | 32.2 | -176.6 | -65.7 | -78.3 | 0 | 0 | 0 | 113.9 | ||||
| 51 | T | 67.8 | Low | 57.9 | Low | 98 Ų | 98 | 130.6 Ų | 130.6 | 60% | 0.601 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 134.7 | 175.8 | -48.1 | 0 | 0 | 0 | 0 | 109.4 | D49 | D49-T51 PolarHBondContact O-N 3.43Š|
| 52 | H | 61.4 | Low | 58.3 | Low | 169 Ų | 169 | 131.1 Ų | 131.1 | 78% | 0.782 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 136.8 | 175 | -65.9 | -77.8 | 0 | 0 | 0 | 110.1 | ||
| 53 | P | 60.2 | Low | 58.9 | Low | 48 Ų | 48 | 126.2 Ų | 126.2 | 31% | 0.312 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 141.9 | 179.8 | 23.1 | -31.3 | 0 | 0 | 0 | 109.9 | V57 | P53-V57 HydrophobicContact CB-CB 4.33Å; P53-V57 HydrophobicContact CB-CG2 4.32Å |
| 54 | P | 63.4 | Low | 59.3 | Low | 90 Ų | 90 | 124.6 Ų | 124.6 | 58% | 0.584 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 145.7 | -178.9 | 21.7 | -30.4 | 0 | 0 | 0 | 110.6 | W56 V57 | P54-W56 PolarHBondContact O-N 2.92Å; P54-V57 HydrophobicContact CG-CG2 4.16Å; P54-V57 WeakPolarHBondContact O-CG2 3.21Å; P54-V57 PolarHBondContact O-N 3.35Å |
| 55 | R | 57.2 | Low | 59.8 | Low | 222 Ų | 222 | 119.3 Ų | 119.3 | 84% | 0.838 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -49.8 | -23.2 | -172.3 | -173.6 | 176.2 | 173.9 | -148.7 | -2.8 | 114.9 | V57 H58 | R55-V57 VanDerWaalsContact C-N 3.26Å; R55-V57 PolarHBondContact O-N 3.09Å; R55-H58 PolarHBondContact O-N 3.01Å |
| 56 | W | 57.3 | Low | 60.4 | Low | 241 Ų | 241 | 120.3 Ų | 120.3 | 91% | 0.913 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -75.7 | -9.4 | -178.6 | -55.5 | 62.2 | 0 | 0 | 0 | 113.6 | P54 | P54-W56 PolarHBondContact O-N 2.92Š|
| 57 | V | 57.5 | Low | 60.5 | Low | 97 Ų | 97 | 118.7 Ų | 118.7 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -84 | -14.4 | 173.3 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | P53 P54 R55 L59 | P53-V57 HydrophobicContact CB-CB 4.33Å; P53-V57 HydrophobicContact CB-CG2 4.32Å; P54-V57 HydrophobicContact CG-CG2 4.16Å; P54-V57 WeakPolarHBondContact O-CG2 3.21Å; P54-V57 PolarHBondContact O-N 3.35Å; R55-V57 VanDerWaalsContact C-N 3.26Å; R55-V57 PolarHBondContact O-N 3.09Å; V57-L59 VanDerWaalsContact C-N 3.35Å; V57-L59 PolarHBondContact O-N 3.2Å; V57-L59 VanDerWaalsContact O-N 3.09Å |
| 58 | H | 59.3 | Low | 60.6 | Low | 138 Ų | 138 | 119.2 Ų | 119.2 | 64% | 0.639 | 62% | 0.624 | S | S | * | * | trans | -77.4 | 90.3 | 164.3 | -90.1 | 96.2 | 0 | 0 | 0 | 108.3 | R55 | R55-H58 PolarHBondContact O-N 3.01Š| ||
| 59 | L | 58.8 | Low | 60.5 | Low | 94 Ų | 94 | 117.8 Ų | 117.8 | 49% | 0.492 | 61% | 0.606 | S | S | . | * | trans | -64.6 | 131.2 | 156.9 | -73.1 | 161.8 | 0 | 0 | 0 | 106.8 | V57 L63 | V57-L59 VanDerWaalsContact C-N 3.35Å; V57-L59 PolarHBondContact O-N 3.2Å; V57-L59 VanDerWaalsContact O-N 3.09Å; L59-L63 HydrophobicContact CD2-CD2 3.83Å | ||
| 60 | E | 63.5 | Low | 60.5 | Low | 139 Ų | 139 | 118.9 Ų | 118.9 | 65% | 0.65 | 60% | 0.601 | S | S | * | * | trans | -58 | 140.2 | 175.1 | -64.7 | -148.1 | 156.3 | 0 | 0 | 109.1 | E62 L63 E64 | E60-E62 PolarHBondContact O-N 3.39Å; E60-L63 PolarHBondContact O-N 3.29Å; E60-E64 PolarHBondContact O-N 3.09Å; E60-E64 VanDerWaalsContact O-N 3.15Å | ||
| 61 | P | 61.9 | Low | 60.2 | Low | 101 Ų | 101 | 118.8 Ų | 118.8 | 66% | 0.656 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -51.6 | -32.1 | -174.8 | -27.1 | 33.7 | 0 | 0 | 0 | 113.3 | E64 E65 | P61-E64 PolarHBondContact O-N 2.9Å; P61-E65 PolarHBondContact O-N 3.38Å; P61-E65 VanDerWaalsContact O-N 3.07Å |
| 62 | E | 60.7 | Low | 59.7 | Low | 154 Ų | 154 | 120.6 Ų | 120.6 | 72% | 0.72 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.2 | -37.9 | 177.2 | -58.3 | 178.8 | -179 | 0 | 0 | 112.6 | E60 A66 | E60-E62 PolarHBondContact O-N 3.39Å; E62-A66 PolarHBondContact O-N 3.19Å |
| 63 | L | 59.7 | Low | 59.4 | Low | 95 Ų | 95 | 117 Ų | 117 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -77.3 | -32.9 | 177.8 | -138.6 | 83.6 | 0 | 0 | 0 | 111.7 | L59 E60 E65 A66 L67 | L59-L63 HydrophobicContact CD2-CD2 3.83Å; E60-L63 PolarHBondContact O-N 3.29Å; L63-E65 VanDerWaalsContact C-N 3.33Å; L63-A66 PolarHBondContact O-N 2.97Å; L63-L67 HydrophobicContact CD2-CD1 4.25Å; L63-L67 HydrophobicContact CG-CD1 4.35Å; L63-L67 WeakPolarHBondContact O-CB 3.34Å; L63-L67 VanDerWaalsContact O-CG 3.27Å; L63-L67 WeakPolarHBondContact O-CG 3.36Å; L63-L67 PolarHBondContact O-N 2.84Å |
| 64 | E | 61.7 | Low | 59.3 | Low | 63 Ų | 63 | 118.7 Ų | 118.7 | 29% | 0.294 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.2 | -35.5 | 174.5 | -160.8 | -177.1 | -166.7 | 0 | 0 | 111.6 | E60 P61 V68 R70 | E60-E64 PolarHBondContact O-N 3.09Å; E60-E64 VanDerWaalsContact O-N 3.15Å; P61-E64 PolarHBondContact O-N 2.9Å; E64-V68 PolarHBondContact O-N 2.95Å; E64-R70 IonicContact OE1-CZ 2.69Å; E64-R70 IonicContact OE1-NH1 3.33Å; E64-R70 PolarHBondContact OE1-NH1 2.95Å; E64-R70 VanDerWaalsContact OE1-NH1 3.14Å; E64-R70 IonicContact OE1-NH2 2.57Å; E64-R70 PolarHBondContact OE1-NH2 3.11Å; E64-R70 IonicContact OE2-CZ 3.14Å; E64-R70 IonicContact OE2-NH1 3.87Å; E64-R70 PolarHBondContact OE2-NH1 2.57Å; E64-R70 IonicContact OE2-NH2 3.17Å |
| 65 | E | 60.2 | Low | 59.4 | Low | 93 Ų | 93 | 116.8 Ų | 116.8 | 44% | 0.435 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.6 | -32 | 177 | -157.3 | 169.2 | -163.2 | 0 | 0 | 112.5 | P61 L63 K71 | P61-E65 PolarHBondContact O-N 3.38Å; P61-E65 VanDerWaalsContact O-N 3.07Å; L63-E65 VanDerWaalsContact C-N 3.33Å; E65-K71 WeakPolarHBondContact OE1-CD 3.39Å; E65-K71 WeakPolarHBondContact OE1-CE 3.4Å; E65-K71 IonicContact OE1-NZ 3.38Å; E65-K71 PolarHBondContact OE1-NZ 3.35Å |
| 66 | A | 62 | Low | 59.4 | Low | 78 Ų | 78 | 111.2 Ų | 111.2 | 65% | 0.645 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -74.2 | -37 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E62 L63 | E62-A66 PolarHBondContact O-N 3.19Å; L63-A66 PolarHBondContact O-N 2.97Å |
| 67 | L | 60.1 | Low | 59.4 | Low | 121 Ų | 121 | 105.9 Ų | 105.9 | 63% | 0.634 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -87.8 | -27.5 | -176.4 | -69 | 170.7 | 0 | 0 | 0 | 113.6 | L63 | L63-L67 HydrophobicContact CD2-CD1 4.25Å; L63-L67 HydrophobicContact CG-CD1 4.35Å; L63-L67 WeakPolarHBondContact O-CB 3.34Å; L63-L67 VanDerWaalsContact O-CG 3.27Å; L63-L67 WeakPolarHBondContact O-CG 3.36Å; L63-L67 PolarHBondContact O-N 2.84Å |
| 68 | V | 58.3 | Low | 59.5 | Low | 71 Ų | 71 | 106.4 Ų | 106.4 | 43% | 0.43 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -125 | 97 | 173.8 | -173.3 | 0 | 0 | 0 | 0 | 107.6 | E64 R70 | E64-V68 PolarHBondContact O-N 2.95Å; V68-R70 HydrophobicContact CG1-CG 3.92Å; V68-R70 PolarHBondContact O-N 3.11Å |
| 69 | P | 57.3 | Low | 59.5 | Low | 70 Ų | 70 | 102.3 Ų | 102.3 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | trans | -67.4 | 75.2 | -179.9 | -20.8 | 33.4 | 0 | 0 | 0 | 112 | K71 L72 | P69-K71 PolarHBondContact O-N 3.24Å; P69-L72 HydrophobicContact CB-CB 3.91Å; P69-L72 HydrophobicContact CB-CD1 3.49Å; P69-L72 VanDerWaalsContact CB-CD1 3.49Å; P69-L72 HydrophobicContact CB-CG 3.59Å; P69-L72 HydrophobicContact CG-CD1 4.1Å; P69-L72 PolarHBondContact O-N 3.41Å | ||
| 70 | R | 58.8 | Low | 59.5 | Low | 142 Ų | 142 | 106.6 Ų | 106.6 | 54% | 0.536 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -66.8 | -16.4 | 177.4 | -68.9 | 178.2 | 179.6 | 141.8 | 1.8 | 111.9 | E64 V68 S73 | E64-R70 IonicContact OE1-CZ 2.69Å; E64-R70 IonicContact OE1-NH1 3.33Å; E64-R70 PolarHBondContact OE1-NH1 2.95Å; E64-R70 VanDerWaalsContact OE1-NH1 3.14Å; E64-R70 IonicContact OE1-NH2 2.57Å; E64-R70 PolarHBondContact OE1-NH2 3.11Å; E64-R70 IonicContact OE2-CZ 3.14Å; E64-R70 IonicContact OE2-NH1 3.87Å; E64-R70 PolarHBondContact OE2-NH1 2.57Å; E64-R70 IonicContact OE2-NH2 3.17Å; V68-R70 HydrophobicContact CG1-CG 3.92Å; V68-R70 PolarHBondContact O-N 3.11Å; R70-S73 PolarHBondContact O-OG 3.44Å |
| 71 | K | 56.8 | Low | 59.1 | Low | 170 Ų | 170 | 104.3 Ų | 104.3 | 74% | 0.739 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -88.7 | 0.3 | 171.2 | -65.7 | -172 | 172.2 | 150.9 | 0 | 114.2 | E65 P69 | E65-K71 WeakPolarHBondContact OE1-CD 3.39Å; E65-K71 WeakPolarHBondContact OE1-CE 3.4Å; E65-K71 IonicContact OE1-NZ 3.38Å; E65-K71 PolarHBondContact OE1-NZ 3.35Å; P69-K71 PolarHBondContact O-N 3.24Å |
| 72 | L | 56.8 | Low | 58.9 | Low | 136 Ų | 136 | 103.5 Ų | 103.5 | 71% | 0.712 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -100.4 | 13.3 | 168.8 | -61.6 | -177.3 | 0 | 0 | 0 | 112.7 | P69 V74 | P69-L72 HydrophobicContact CB-CB 3.91Å; P69-L72 HydrophobicContact CB-CD1 3.49Å; P69-L72 VanDerWaalsContact CB-CD1 3.49Å; P69-L72 HydrophobicContact CB-CG 3.59Å; P69-L72 HydrophobicContact CG-CD1 4.1Å; P69-L72 PolarHBondContact O-N 3.41Å; L72-V74 PolarHBondContact O-N 2.88Å |
| 73 | S | 56.6 | Low | 58.8 | Low | 93 Ų | 93 | 101.5 Ų | 101.5 | 65% | 0.65 | 54% | 0.542 | S | S | * | . | trans | -74.7 | 87.3 | 164.5 | 64.2 | 0 | 0 | 0 | 0 | 108.1 | R70 S75 | R70-S73 PolarHBondContact O-OG 3.44Å; S73-S75 PolarHBondContact O-N 3.06Å; S73-S75 VanDerWaalsContact O-N 3.15Å | ||
| 74 | V | 57.3 | Low | 58.7 | Low | 85 Ų | 85 | 106.3 Ų | 106.3 | 52% | 0.515 | 55% | 0.554 | S | S | . | * | trans | -55.5 | 121.6 | 167.2 | -166.3 | 0 | 0 | 0 | 0 | 106.7 | L72 E78 | L72-V74 PolarHBondContact O-N 2.88Å; V74-E78 HydrophobicContact CG1-CB 3.54Å | ||
| 75 | S | 64.6 | Low | 58.6 | Low | 49 Ų | 49 | 112.3 Ų | 112.3 | 34% | 0.343 | 58% | 0.575 | S | S | . | * | trans | -55.1 | 143.3 | 174.8 | 154.2 | 0 | 0 | 0 | 0 | 108.8 | S73 L77 E78 S79 | S73-S75 PolarHBondContact O-N 3.06Å; S73-S75 VanDerWaalsContact O-N 3.15Å; S75-L77 PolarHBondContact O-N 3.22Å; S75-L77 PolarHBondContact OG-N 2.9Å; S75-E78 PolarHBondContact N-OE2 3.34Å; S75-E78 VanDerWaalsContact N-OE2 3.14Å; S75-E78 PolarHBondContact O-N 3.05Å; S75-S79 PolarHBondContact O-N 3.32Å | ||
| 76 | P | 57.7 | Low | 58.6 | Low | 106 Ų | 106 | 111.9 Ų | 111.9 | 69% | 0.688 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -52.3 | -25.5 | 176.3 | -26.8 | 34.5 | 0 | 0 | 0 | 113.6 | S79 W80 | P76-S79 PolarHBondContact O-OG 3.49Å; P76-W80 VanDerWaalsContact O-CD1 3.28Å |
| 77 | L | 57 | Low | 58.4 | Low | 129 Ų | 129 | 113.3 Ų | 113.3 | 68% | 0.675 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -77.2 | -38.2 | 175.5 | -136.3 | 95.3 | 0 | 0 | 0 | 112.6 | S75 W80 L81 | S75-L77 PolarHBondContact O-N 3.22Å; S75-L77 PolarHBondContact OG-N 2.9Å; L77-W80 PolarHBondContact O-N 2.96Å; L77-L81 PolarHBondContact O-N 3.19Å |
| 78 | E | 59.5 | Low | 58.4 | Low | 108 Ų | 108 | 112.8 Ų | 112.8 | 51% | 0.505 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.1 | -38.9 | 179.1 | -70.7 | 173.8 | 165.8 | 0 | 0 | 110.6 | V74 S75 W80 L81 T82 | V74-E78 HydrophobicContact CG1-CB 3.54Å; S75-E78 PolarHBondContact N-OE2 3.34Å; S75-E78 VanDerWaalsContact N-OE2 3.14Å; S75-E78 PolarHBondContact O-N 3.05Å; E78-W80 VanDerWaalsContact C-N 3.25Å; E78-W80 PolarHBondContact O-N 3.43Å; E78-L81 PolarHBondContact O-N 3.49Å; E78-T82 PolarHBondContact O-N 2.86Å; E78-T82 PolarHBondContact O-OG1 3.34Å |
| 79 | S | 60.2 | Low | 58.5 | Low | 51 Ų | 51 | 115.2 Ų | 115.2 | 36% | 0.357 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.4 | -31 | 178.5 | 77.2 | 0 | 0 | 0 | 0 | 113.1 | S75 P76 L83 | S75-S79 PolarHBondContact O-N 3.32Å; P76-S79 PolarHBondContact O-OG 3.49Å; S79-L83 PolarHBondContact O-N 3.19Å |
| 80 | W | 58.1 | Low | 58.4 | Low | 185 Ų | 185 | 120.3 Ų | 120.3 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -78.2 | -36.9 | 178.3 | -86.7 | 63.5 | 0 | 0 | 0 | 112.9 | P76 L77 E78 R84 | P76-W80 VanDerWaalsContact O-CD1 3.28Å; L77-W80 PolarHBondContact O-N 2.96Å; E78-W80 VanDerWaalsContact C-N 3.25Å; E78-W80 PolarHBondContact O-N 3.43Å; W80-R84 WeakPolarHBondContact O-CG 3.45Å; W80-R84 PolarHBondContact O-N 2.93Å |
| 81 | L | 56.8 | Low | 58.1 | Low | 90 Ų | 90 | 121.4 Ų | 121.4 | 47% | 0.471 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -69.8 | -41.8 | 175.8 | -71.2 | 167.3 | 0 | 0 | 0 | 110.8 | L77 E78 L83 R84 Y85 | L77-L81 PolarHBondContact O-N 3.19Å; E78-L81 PolarHBondContact O-N 3.49Å; L81-L83 VanDerWaalsContact C-N 3.25Å; L81-L83 PolarHBondContact O-N 3.49Å; L81-R84 PolarHBondContact O-N 3.14Å; L81-R84 VanDerWaalsContact O-N 3.09Å; L81-Y85 HydrophobicContact CD2-CE2 4.07Å; L81-Y85 WeakPolarHBondContact O-CD2 3.28Å; L81-Y85 PolarHBondContact O-N 3.38Å |
| 82 | T | 56.9 | Low | 57.8 | Low | 84 Ų | 84 | 122 Ų | 122 | 52% | 0.515 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -61.7 | -33.2 | 178.1 | -39.8 | 0 | 0 | 0 | 0 | 112.4 | E78 R84 S86 | E78-T82 PolarHBondContact O-N 2.86Å; E78-T82 PolarHBondContact O-OG1 3.34Å; T82-R84 VanDerWaalsContact C-N 3.33Å; T82-R84 PolarHBondContact O-N 2.91Å; T82-S86 WeakPolarHBondContact O-CB 3.35Å; T82-S86 PolarHBondContact O-N 3.4Å; T82-S86 PolarHBondContact O-OG 2.89Å |
| 83 | L | 57.9 | Low | 57.3 | Low | 113 Ų | 113 | 121.3 Ų | 121.3 | 59% | 0.592 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.7 | -28.4 | 177.3 | -119 | 154.2 | 0 | 0 | 0 | 113.2 | S79 L81 L87 | S79-L83 PolarHBondContact O-N 3.19Å; L81-L83 VanDerWaalsContact C-N 3.25Å; L81-L83 PolarHBondContact O-N 3.49Å; L83-L87 HydrophobicContact CD2-CD1 3.96Å |
| 84 | R | 58.5 | Low | 56.3 | Low | 195 Ų | 195 | 121.4 Ų | 121.4 | 74% | 0.736 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -84.3 | -22.1 | -178.4 | -71.2 | -84.4 | -176.2 | 156 | -0.3 | 113.5 | W80 L81 T82 | W80-R84 WeakPolarHBondContact O-CG 3.45Å; W80-R84 PolarHBondContact O-N 2.93Å; L81-R84 PolarHBondContact O-N 3.14Å; L81-R84 VanDerWaalsContact O-N 3.09Å; T82-R84 VanDerWaalsContact C-N 3.33Å; T82-R84 PolarHBondContact O-N 2.91Å |
| 85 | Y | 58.7 | Low | 55.6 | Low | 189 Ų | 189 | 123.2 Ų | 123.2 | 74% | 0.741 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -112.5 | -14 | -177.2 | -63.5 | -71.4 | 0 | 0 | 0 | 114.4 | L81 | L81-Y85 HydrophobicContact CD2-CE2 4.07Å; L81-Y85 WeakPolarHBondContact O-CD2 3.28Å; L81-Y85 PolarHBondContact O-N 3.38Å |
| 86 | S | 60.4 | Low | 54.7 | Low | 84 Ų | 84 | 126.9 Ų | 126.9 | 59% | 0.587 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -88.9 | -15.4 | 175.8 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | T82 | T82-S86 WeakPolarHBondContact O-CB 3.35Å; T82-S86 PolarHBondContact O-N 3.4Å; T82-S86 PolarHBondContact O-OG 2.89Å |
| 87 | L | 57.3 | Low | 53.6 | Low | 108 Ų | 108 | 130.6 Ų | 130.6 | 57% | 0.565 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -94.5 | 130.3 | 173.1 | -71.9 | 169 | 0 | 0 | 0 | 109.3 | L83 | L83-L87 HydrophobicContact CD2-CD1 3.96Š|
| 88 | P | 60 | Low | 53 | Low | 110 Ų | 110 | 132.9 Ų | 132.9 | 71% | 0.714 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 135 | 169.8 | -23.7 | 32.8 | 0 | 0 | 0 | 109.6 | L90 | P88-L90 PolarHBondContact O-N 3.07Š|
| 89 | P | 60.3 | Low | 51.9 | Low | 122 Ų | 122 | 135.5 Ų | 135.5 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 125.9 | 177.6 | -22 | 31.5 | 0 | 0 | 0 | 109.5 | L91 | P89-L91 VanDerWaalsContact C-N 3.34Å; P89-L91 PolarHBondContact O-N 2.97Å |
| 90 | L | 56.5 | Low | 51.5 | Low | 177 Ų | 177 | 139.1 Ų | 139.1 | 93% | 0.927 | 75% | 0.745 | S | S | * | * | trans | -66.6 | 99.2 | 172 | -168.5 | 77.9 | 0 | 0 | 0 | 106.7 | P88 E92 | P88-L90 PolarHBondContact O-N 3.07Å; L90-E92 PolarHBondContact O-N 3.25Å | ||
| 91 | L | 51.3 | Low | 51 | Low | 166 Ų | 166 | 138.9 Ų | 138.9 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 125.2 | -177.5 | -98.3 | 162 | 0 | 0 | 0 | 110.6 | P89 | P89-L91 VanDerWaalsContact C-N 3.34Å; P89-L91 PolarHBondContact O-N 2.97Å |
| 92 | E | 50.6 | Low | 50.5 | Low | 183 Ų | 183 | 142.5 Ų | 142.5 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 134 | 175.1 | -134.4 | 163.5 | -179 | 0 | 0 | 109.8 | L90 | L90-E92 PolarHBondContact O-N 3.25Š|
| 93 | S | 46.1 | Very low | 49.8 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 131.5 | -178.5 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 94 | A | 37.4 | Very low | 49.1 | Very low | 95 Ų | 95 | 150.1 Ų | 150.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -124.7 | 138.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 95 | P | 41.3 | Very low | 48.8 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -98.5 | -178 | -176.9 | 43.9 | -37.7 | 0 | 0 | 0 | 111.6 | ||||
| 96 | P | 45.5 | Very low | 48.6 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | -99.2 | 143.9 | -102 | 33.5 | -16.1 | 0 | 0 | 0 | 112.7 | |||||
| 97 | Q | 36 | Very low | 48.1 | Very low | 183 Ų | 183 | 150.2 Ų | 150.2 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -136.2 | 105.5 | 163.1 | -158 | 161.6 | 2.2 | 0 | 0 | 109.4 | D99 | Q97-D99 PolarHBondContact O-N 2.93Š| ||
| 98 | E | 44.1 | Very low | 48 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | 2.8 | 95.6 | 152.5 | -63.9 | 163.3 | -178.4 | 0 | 0 | 115.8 | ||||
| 99 | D | 36.9 | Very low | 47.7 | Very low | 163 Ų | 163 | 152.2 Ų | 152.2 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -132.2 | 103.3 | 147 | -81.9 | -39.3 | 0 | 0 | 0 | 107.4 | Q97 | Q97-D99 PolarHBondContact O-N 2.93Š| ||
| 100 | V | 50.1 | Low | 47.3 | Very low | 128 Ų | 128 | 152 Ų | 152 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -62.5 | 145.4 | 172.1 | 172.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 101 | E | 48 | Very low | 46.8 | Very low | 180 Ų | 180 | 151.2 Ų | 151.2 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 96.8 | 2.3 | 158.6 | -94 | 170 | -178.3 | 0 | 0 | 123.2 | ||
| 102 | L | 47.4 | Very low | 46.8 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -138.2 | 27.8 | 176.6 | -87.6 | 176.9 | 0 | 0 | 0 | 117.7 | ||
| 103 | L | 40.6 | Very low | 47.2 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -127.4 | 75.9 | 160.8 | -74.3 | 173.6 | 0 | 0 | 0 | 108.8 | E105 | L103-E105 PolarHBondContact O-N 3.33Š| ||
| 104 | Q | 43.8 | Very low | 47.3 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -46.2 | 102.1 | 153 | -171 | 172.8 | 21.6 | 0 | 0 | 106.8 | K106 | Q104-K106 PolarHBondContact O-N 3.44Š| ||
| 105 | E | 51.6 | Low | 47.9 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | -35.4 | 105 | 168.5 | -158.8 | -178 | 171.7 | 0 | 0 | 106.8 | L103 L107 | L103-E105 PolarHBondContact O-N 3.33Å; E105-L107 HydrophobicContact CB-CG 4.19Å; E105-L107 HydrophobicContact CG-CD1 4.38Å; E105-L107 HydrophobicContact CG-CD2 4Å; E105-L107 HydrophobicContact CG-CG 3.7Å; E105-L107 PolarHBondContact O-N 2.67Å; E105-L107 VanDerWaalsContact OE1-CD2 3.23Å; E105-L107 WeakPolarHBondContact OE1-CD2 3.41Å | ||
| 106 | K | 54.8 | Low | 48.4 | Very low | 204 Ų | 204 | 148.2 Ų | 148.2 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -70.5 | 68.3 | 165.9 | -71.9 | -158.8 | 179.1 | -165.4 | 0 | 106.5 | Q104 L108 | Q104-K106 PolarHBondContact O-N 3.44Å; K106-L108 PolarHBondContact O-N 2.92Å; K106-L108 VanDerWaalsContact O-N 3.09Å | ||
| 107 | L | 50 | Low | 48.6 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | trans | -55.3 | 112.1 | 157.2 | -72.9 | 173 | 0 | 0 | 0 | 105.1 | E105 | E105-L107 HydrophobicContact CB-CG 4.19Å; E105-L107 HydrophobicContact CG-CD1 4.38Å; E105-L107 HydrophobicContact CG-CD2 4Å; E105-L107 HydrophobicContact CG-CG 3.7Å; E105-L107 PolarHBondContact O-N 2.67Å; E105-L107 VanDerWaalsContact OE1-CD2 3.23Å; E105-L107 WeakPolarHBondContact OE1-CD2 3.41Å | ||
| 108 | L | 55.4 | Low | 49.2 | Very low | 152 Ų | 152 | 149 Ų | 149 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 139.9 | 163.3 | -67 | 165.8 | 0 | 0 | 0 | 107.3 | K106 | K106-L108 PolarHBondContact O-N 2.92Å; K106-L108 VanDerWaalsContact O-N 3.09Å |
| 109 | P | 53.4 | Low | 49.2 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 133.4 | 173.4 | 20.9 | -30.4 | 0 | 0 | 0 | 107.7 | I111 | P109-I111 PolarHBondContact O-N 3.47Š|
| 110 | P | 51.7 | Low | 49.8 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -51 | 126.6 | 178.7 | 21 | -31.3 | 0 | 0 | 0 | 106.7 | S112 | P110-S112 PolarHBondContact O-N 2.89Š|
| 111 | I | 47.6 | Very low | 49.7 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -54.4 | 98.1 | 177.4 | -67.9 | 167.2 | 0 | 0 | 0 | 105.7 | P109 V113 | P109-I111 PolarHBondContact O-N 3.47Å; I111-V113 VanDerWaalsContact C-N 3.26Å; I111-V113 PolarHBondContact O-N 3.36Å | ||
| 112 | S | 49.7 | Very low | 49.8 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -63.2 | 102 | 166.2 | 39.1 | 0 | 0 | 0 | 0 | 104.2 | P110 P114 | P110-S112 PolarHBondContact O-N 2.89Å; S112-P114 WeakPolarHBondContact O-CD 3.36Å; S112-P114 VanDerWaalsContact O-N 3.11Å | ||
| 113 | V | 58.7 | Low | 50.4 | Low | 115 Ų | 115 | 135.8 Ų | 135.8 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | trans | -43.5 | 121.3 | 158 | 179.3 | 0 | 0 | 0 | 0 | 105.1 | I111 V115 | I111-V113 VanDerWaalsContact C-N 3.26Å; I111-V113 PolarHBondContact O-N 3.36Å; V113-V115 PolarHBondContact O-N 3.44Å | ||
| 114 | P | 50 | Low | 51.5 | Low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -60.1 | 110.5 | 177 | 22.5 | -29.5 | 0 | 0 | 0 | 106.5 | S112 L116 | S112-P114 WeakPolarHBondContact O-CD 3.36Å; S112-P114 VanDerWaalsContact O-N 3.11Å; P114-L116 PolarHBondContact O-N 2.91Å | ||
| 115 | V | 49.9 | Very low | 52.3 | Low | 129 Ų | 129 | 129.6 Ų | 129.6 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | trans | -53.9 | 109.5 | 161.9 | 169.7 | 0 | 0 | 0 | 0 | 104.5 | V113 E117 | V113-V115 PolarHBondContact O-N 3.44Å; V115-E117 PolarHBondContact O-N 2.98Å | ||
| 116 | L | 50.7 | Low | 52.7 | Low | 161 Ų | 161 | 129.4 Ų | 129.4 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -73.4 | 81.7 | 176.4 | -153 | 142.8 | 0 | 0 | 0 | 105.3 | P114 D118 | P114-L116 PolarHBondContact O-N 2.91Å; L116-D118 PolarHBondContact O-N 3.33Å | ||
| 117 | E | 49.6 | Very low | 53.1 | Low | 170 Ų | 170 | 129.8 Ų | 129.8 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -57.6 | 124 | 165.6 | -116.6 | -96.4 | 143.4 | 0 | 0 | 107 | V115 G119 | V115-E117 PolarHBondContact O-N 2.98Å; E117-G119 PolarHBondContact O-N 2.65Å | ||
| 118 | D | 48.5 | Very low | 53.8 | Low | 158 Ų | 158 | 127.9 Ų | 127.9 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | -68.1 | 92.1 | -172.5 | -164 | 15.5 | 0 | 0 | 0 | 109.3 | L116 | L116-D118 PolarHBondContact O-N 3.33Š| ||
| 119 | G | 44.9 | Very low | 54.7 | Low | 65 Ų | 65 | 127.9 Ų | 127.9 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | trans | -126.3 | 77.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E117 G121 | E117-G119 PolarHBondContact O-N 2.65Å; G119-G121 PolarHBondContact O-N 2.82Å | ||
| 120 | E | 49 | Very low | 56.1 | Low | 200 Ų | 200 | 127.1 Ų | 127.1 | 94% | 0.935 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 29.7 | 83.1 | 150.6 | -157.8 | 166.7 | -150.8 | 0 | 0 | 116.5 | ||
| 121 | G | 48.8 | Very low | 58 | Low | 64 Ų | 64 | 123.9 Ų | 123.9 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | trans | 168 | 86.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | G119 A123 | G119-G121 PolarHBondContact O-N 2.82Å; G121-A123 PolarHBondContact O-N 3.07Å | ||
| 122 | S | 48.7 | Very low | 60.1 | Low | 117 Ų | 117 | 120.2 Ų | 120.2 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | -63.6 | 69.1 | 172 | 62.1 | 0 | 0 | 0 | 0 | 110.4 | T124 | S122-T124 PolarHBondContact O-N 3.26Š| ||
| 123 | A | 60.1 | Low | 62.3 | Low | 90 Ų | 90 | 118.2 Ų | 118.2 | 74% | 0.744 | 68% | 0.676 | S | S | * | * | trans | -71.9 | 78.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | G121 | G121-A123 PolarHBondContact O-N 3.07Š| ||
| 124 | T | 64.9 | Low | 64 | Low | 111 Ų | 111 | 117.2 Ų | 117.2 | 68% | 0.681 | 67% | 0.665 | S | S | * | * | trans | -40.4 | 121.6 | 165.1 | -50.4 | 0 | 0 | 0 | 0 | 105.8 | S122 M126 | S122-T124 PolarHBondContact O-N 3.26Å; T124-M126 PolarHBondContact O-N 3.41Å | ||
| 125 | P | 61.1 | Low | 66.2 | Low | 115 Ų | 115 | 119.8 Ų | 119.8 | 75% | 0.747 | 66% | 0.66 | S | S | * | * | trans | -55.3 | 106.1 | -173 | 19.3 | -31.1 | 0 | 0 | 0 | 106.7 | R127 | P125-R127 PolarHBondContact O-N 2.98Š| ||
| 126 | M | 58.7 | Low | 68.5 | Low | 138 Ų | 138 | 119.9 Ų | 119.9 | 68% | 0.68 | 65% | 0.646 | S | S | * | * | trans | -57.6 | 110.4 | -171.5 | -89.9 | -140.5 | 78.8 | 0 | 0 | 105.1 | T124 C128 V131 | T124-M126 PolarHBondContact O-N 3.41Å; M126-C128 PolarHBondContact O-N 2.71Å; M126-C128 PolarHBondContact O-SG 3.5Å; M126-V131 HydrophobicContact CE-CG2 3.19Å; M126-V131 HydrophobicContact SD-CG2 4.22Å | ||
| 127 | R | 63.2 | Low | 70.7 | Confident | 212 Ų | 212 | 120.5 Ų | 120.5 | 80% | 0.8 | 64% | 0.638 | S | S | * | * | trans | -62.6 | 88 | 172 | -106.3 | -179.4 | 164.1 | -178.1 | -2.1 | 105.8 | P125 K129 N130 | P125-R127 PolarHBondContact O-N 2.98Å; R127-K129 PolarHBondContact O-N 3.22Å; R127-N130 WeakPolarHBondContact O-CB 3.3Å; R127-N130 PolarHBondContact O-N 3.46Å | ||
| 128 | C | 65.3 | Low | 73 | Confident | 84 Ų | 84 | 120 Ų | 120 | 57% | 0.568 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -55.2 | -25.1 | -176.5 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | M126 N130 V131 L132 | M126-C128 PolarHBondContact O-N 2.71Å; M126-C128 PolarHBondContact O-SG 3.5Å; C128-N130 VanDerWaalsContact C-N 3.28Å; C128-N130 PolarHBondContact O-N 3.25Å; C128-V131 PolarHBondContact O-N 3.35Å; C128-L132 WeakPolarHBondContact O-CG 3.43Å; C128-L132 PolarHBondContact O-N 2.79Å |
| 129 | K | 73.7 | Confident | 75.4 | Confident | 151 Ų | 151 | 116.1 Ų | 116.1 | 66% | 0.657 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -50.5 | -45.1 | 168.6 | -169.5 | 172.2 | -179.2 | 178.5 | 0 | 112.3 | R127 E133 | R127-K129 PolarHBondContact O-N 3.22Å; K129-E133 WeakPolarHBondContact CG-OE1 3.29Å; K129-E133 WeakPolarHBondContact O-CB 3.49Å; K129-E133 WeakPolarHBondContact O-CG 3.38Å; K129-E133 PolarHBondContact O-N 2.8Å |
| 130 | N | 83.7 | Confident | 78 | Confident | 93 Ų | 93 | 118 Ų | 118 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.9 | -43 | 179.2 | -163.3 | -19.5 | 0 | 0 | 0 | 111.8 | R127 C128 L132 E133 I134 | R127-N130 WeakPolarHBondContact O-CB 3.3Å; R127-N130 PolarHBondContact O-N 3.46Å; C128-N130 VanDerWaalsContact C-N 3.28Å; C128-N130 PolarHBondContact O-N 3.25Å; N130-L132 PolarHBondContact O-N 3.42Å; N130-E133 PolarHBondContact O-N 3.24Å; N130-I134 WeakPolarHBondContact O-CB 3.45Å; N130-I134 WeakPolarHBondContact O-CG1 3.49Å; N130-I134 PolarHBondContact O-N 2.81Å; N130-I134 WeakPolarHBondContact OD1-CD1 3.34Å; N130-I134 WeakPolarHBondContact OD1-CG1 3.4Å |
| 131 | V | 90.6 | Very high | 80.3 | Confident | 50 Ų | 50 | 116.2 Ų | 116.2 | 30% | 0.303 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.8 | -42.5 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | M126 C128 I134 R135 | M126-V131 HydrophobicContact CE-CG2 3.19Å; M126-V131 HydrophobicContact SD-CG2 4.22Å; C128-V131 PolarHBondContact O-N 3.35Å; V131-I134 PolarHBondContact O-N 2.89Å; V131-R135 HydrophobicContact CG1-CG 4.47Å; V131-R135 WeakPolarHBondContact O-CB 3.33Å; V131-R135 WeakPolarHBondContact O-CG 3.49Å; V131-R135 PolarHBondContact O-N 3.41Å |
| 132 | L | 92.9 | Very high | 82.7 | Confident | 84 Ų | 84 | 117.6 Ų | 117.6 | 44% | 0.44 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.3 | -39.1 | 176.6 | -68.4 | 177.9 | 0 | 0 | 0 | 111.7 | C128 N130 R135 R136 | C128-L132 WeakPolarHBondContact O-CG 3.43Å; C128-L132 PolarHBondContact O-N 2.79Å; N130-L132 PolarHBondContact O-N 3.42Å; L132-R135 PolarHBondContact O-N 2.91Å; L132-R136 WeakPolarHBondContact O-CB 2.92Å; L132-R136 WeakPolarHBondContact O-CG 3.37Å; L132-R136 PolarHBondContact O-N 3.44Å |
| 133 | E | 94.9 | Very high | 85.1 | Confident | 63 Ų | 63 | 118.3 Ų | 118.3 | 29% | 0.294 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.2 | -44.4 | 171.7 | -76.1 | 176.6 | -159.2 | 0 | 0 | 112 | K129 N130 R136 R137 | K129-E133 WeakPolarHBondContact CG-OE1 3.29Å; K129-E133 WeakPolarHBondContact O-CB 3.49Å; K129-E133 WeakPolarHBondContact O-CG 3.38Å; K129-E133 PolarHBondContact O-N 2.8Å; N130-E133 PolarHBondContact O-N 3.24Å; E133-R136 PolarHBondContact O-N 3.45Å; E133-R137 WeakPolarHBondContact O-CB 3.36Å; E133-R137 WeakPolarHBondContact O-CG 3.39Å; E133-R137 PolarHBondContact O-N 3.41Å |
| 134 | I | 95.2 | Very high | 86.9 | Confident | 93 Ų | 93 | 119.7 Ų | 119.7 | 48% | 0.477 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.4 | -47.7 | 176.1 | -68.8 | 164.5 | 0 | 0 | 0 | 110.6 | N130 V131 R136 R137 K138 | N130-I134 WeakPolarHBondContact O-CB 3.45Å; N130-I134 WeakPolarHBondContact O-CG1 3.49Å; N130-I134 PolarHBondContact O-N 2.81Å; N130-I134 WeakPolarHBondContact OD1-CD1 3.34Å; N130-I134 WeakPolarHBondContact OD1-CG1 3.4Å; V131-I134 PolarHBondContact O-N 2.89Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.41Å; I134-R137 PolarHBondContact O-N 3.24Å; I134-K138 VanDerWaalsContact O-CB 3.3Å; I134-K138 WeakPolarHBondContact O-CB 3.27Å; I134-K138 PolarHBondContact O-N 2.84Å |
| 135 | R | 96.3 | Very high | 88.5 | Confident | 168 Ų | 168 | 118.7 Ų | 118.7 | 63% | 0.634 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.1 | -40.1 | 177.4 | -73.5 | 177.2 | 72.2 | -178.7 | 2.7 | 111.7 | V131 L132 K138 I139 | V131-R135 HydrophobicContact CG1-CG 4.47Å; V131-R135 WeakPolarHBondContact O-CB 3.33Å; V131-R135 WeakPolarHBondContact O-CG 3.49Å; V131-R135 PolarHBondContact O-N 3.41Å; L132-R135 PolarHBondContact O-N 2.91Å; R135-K138 WeakPolarHBondContact O-CB 3.42Å; R135-K138 PolarHBondContact O-N 3.25Å; R135-I139 WeakPolarHBondContact O-CG2 3.34Å; R135-I139 PolarHBondContact O-N 3.21Å |
| 136 | R | 97.3 | Very high | 90.3 | Very high | 130 Ų | 130 | 118.9 Ų | 118.9 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 172.9 | -78.2 | -170.8 | -64.9 | -96.3 | 2.2 | 112.1 | L132 E133 I134 K138 I139 N140 | L132-R136 WeakPolarHBondContact O-CB 2.92Å; L132-R136 WeakPolarHBondContact O-CG 3.37Å; L132-R136 PolarHBondContact O-N 3.44Å; E133-R136 PolarHBondContact O-N 3.45Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.41Å; R136-K138 VanDerWaalsContact C-N 3.34Å; R136-K138 PolarHBondContact O-N 2.88Å; R136-I139 WeakPolarHBondContact O-CG2 3.22Å; R136-I139 PolarHBondContact O-N 2.67Å; R136-N140 WeakPolarHBondContact O-CB 3.45Å; R136-N140 PolarHBondContact O-N 2.97Å |
| 137 | R | 97.6 | Very high | 92.2 | Very high | 175 Ų | 175 | 116.2 Ų | 116.2 | 66% | 0.66 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 176.4 | -72.1 | 175.9 | -177.3 | -176.5 | 3.7 | 111.6 | E133 I134 N140 R141 | E133-R137 WeakPolarHBondContact O-CB 3.36Å; E133-R137 WeakPolarHBondContact O-CG 3.39Å; E133-R137 PolarHBondContact O-N 3.41Å; I134-R137 PolarHBondContact O-N 3.24Å; R137-N140 PolarHBondContact O-N 3.28Å; R137-R141 VanDerWaalsContact O-CB 3.3Å; R137-R141 WeakPolarHBondContact O-CB 3.43Å; R137-R141 PolarHBondContact O-N 3.44Å |
| 138 | K | 98.3 | Very high | 93.8 | Very high | 159 Ų | 159 | 108.7 Ų | 108.7 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58 | -53.2 | 175.4 | -178.8 | -170.1 | 179.6 | -176.4 | 0 | 110.8 | I134 R135 R136 N140 R141 H142 | I134-K138 VanDerWaalsContact O-CB 3.3Å; I134-K138 WeakPolarHBondContact O-CB 3.27Å; I134-K138 PolarHBondContact O-N 2.84Å; R135-K138 WeakPolarHBondContact O-CB 3.42Å; R135-K138 PolarHBondContact O-N 3.25Å; R136-K138 VanDerWaalsContact C-N 3.34Å; R136-K138 PolarHBondContact O-N 2.88Å; K138-N140 PolarHBondContact O-N 3.3Å; K138-R141 PolarHBondContact O-N 3.36Å; K138-H142 WeakPolarHBondContact O-CB 3.4Å; K138-H142 PolarHBondContact O-N 3.48Å |
| 139 | I | 98.4 | Very high | 95.4 | Very high | 76 Ų | 76 | 112.6 Ų | 112.6 | 39% | 0.39 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -38.2 | -178.7 | -167.4 | 62.2 | 0 | 0 | 0 | 111.6 | R135 R136 H142 K143 | R135-I139 WeakPolarHBondContact O-CG2 3.34Å; R135-I139 PolarHBondContact O-N 3.21Å; R136-I139 WeakPolarHBondContact O-CG2 3.22Å; R136-I139 PolarHBondContact O-N 2.67Å; I139-H142 PolarHBondContact O-N 3.49Å; I139-K143 HydrophobicContact CD1-CG 4.44Å; I139-K143 HydrophobicContact CG1-CD 4.22Å; I139-K143 HydrophobicContact CG1-CG 4.38Å; I139-K143 WeakPolarHBondContact O-CB 3.17Å; I139-K143 WeakPolarHBondContact O-CG 3.47Å; I139-K143 PolarHBondContact O-N 2.79Å |
| 140 | N | 98.6 | Very high | 96.6 | Very high | 105 Ų | 105 | 114.7 Ų | 114.7 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.8 | -46.9 | 176.5 | -73.2 | -6.2 | 0 | 0 | 0 | 111.6 | R136 R137 K138 H142 K143 Y144 | R136-N140 WeakPolarHBondContact O-CB 3.45Å; R136-N140 PolarHBondContact O-N 2.97Å; R137-N140 PolarHBondContact O-N 3.28Å; K138-N140 PolarHBondContact O-N 3.3Å; N140-H142 PolarHBondContact O-N 2.96Å; N140-K143 PolarHBondContact O-N 3.35Å; N140-Y144 VanDerWaalsContact O-CB 3.25Å; N140-Y144 WeakPolarHBondContact O-CB 3.3Å; N140-Y144 PolarHBondContact O-N 3Å |
| 141 | R | 98.6 | Very high | 97.3 | Very high | 162 Ų | 162 | 112.1 Ų | 112.1 | 61% | 0.611 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.2 | -42.4 | 175.9 | 179.7 | 62.5 | 176.2 | -107.8 | -3.9 | 111.5 | R137 K138 Y144 K145 | R137-R141 VanDerWaalsContact O-CB 3.3Å; R137-R141 WeakPolarHBondContact O-CB 3.43Å; R137-R141 PolarHBondContact O-N 3.44Å; K138-R141 PolarHBondContact O-N 3.36Å; R141-Y144 PolarHBondContact O-N 2.88Å; R141-K145 WeakPolarHBondContact O-CB 3.25Å; R141-K145 WeakPolarHBondContact O-CG 3.35Å; R141-K145 PolarHBondContact O-N 3.38Å |
| 142 | H | 98.7 | Very high | 97.6 | Very high | 94 Ų | 94 | 116.2 Ų | 116.2 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -50.7 | 176.9 | 177.8 | 82.8 | 0 | 0 | 0 | 111.6 | K138 I139 N140 Y144 K145 K146 | K138-H142 WeakPolarHBondContact O-CB 3.4Å; K138-H142 PolarHBondContact O-N 3.48Å; I139-H142 PolarHBondContact O-N 3.49Å; N140-H142 PolarHBondContact O-N 2.96Å; H142-Y144 VanDerWaalsContact C-N 3.34Å; H142-Y144 PolarHBondContact O-N 2.93Å; H142-K145 PolarHBondContact O-N 3.48Å; H142-K146 WeakPolarHBondContact NE2-CE 3.3Å; H142-K146 PolarHBondContact NE2-NZ 3.36Å; H142-K146 PolarHBondContact O-N 3.48Å |
| 143 | K | 98.8 | Very high | 97.8 | Very high | 132 Ų | 132 | 119.3 Ų | 119.3 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.4 | -43.2 | 176.8 | -74.1 | -179.5 | 176.4 | -178.5 | 0 | 111.4 | I139 N140 K146 L147 | I139-K143 HydrophobicContact CD1-CG 4.44Å; I139-K143 HydrophobicContact CG1-CD 4.22Å; I139-K143 HydrophobicContact CG1-CG 4.38Å; I139-K143 WeakPolarHBondContact O-CB 3.17Å; I139-K143 WeakPolarHBondContact O-CG 3.47Å; I139-K143 PolarHBondContact O-N 2.79Å; N140-K143 PolarHBondContact O-N 3.35Å; K143-K146 PolarHBondContact O-N 3.32Å; K143-L147 WeakPolarHBondContact O-CB 3.49Å; K143-L147 PolarHBondContact O-N 3.27Å |
| 144 | Y | 98.5 | Very high | 97.9 | Very high | 118 Ų | 118 | 121.5 Ų | 121.5 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 176.5 | -179.2 | -109.6 | 0 | 0 | 0 | 112 | N140 R141 H142 L147 Q148 | N140-Y144 VanDerWaalsContact O-CB 3.25Å; N140-Y144 WeakPolarHBondContact O-CB 3.3Å; N140-Y144 PolarHBondContact O-N 3Å; R141-Y144 PolarHBondContact O-N 2.88Å; H142-Y144 VanDerWaalsContact C-N 3.34Å; H142-Y144 PolarHBondContact O-N 2.93Å; Y144-L147 PolarHBondContact O-N 3.41Å; Y144-Q148 HydrophobicContact CD1-CG 4.22Å; Y144-Q148 HydrophobicContact CE1-CG 3.87Å; Y144-Q148 HydrophobicContact CE2-CG 4.29Å; Y144-Q148 WeakPolarHBondContact O-CG 3.22Å; Y144-Q148 PolarHBondContact O-N 2.96Å; Y144-Q148 PolarHBondContact OH-NE2 3.45Å |
| 145 | K | 98.5 | Very high | 98 | Very high | 91 Ų | 91 | 120.9 Ų | 120.9 | 40% | 0.396 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 175.1 | -73 | -64.6 | -172.2 | 179.4 | 0 | 112 | R141 H142 L147 Q148 K149 | R141-K145 WeakPolarHBondContact O-CB 3.25Å; R141-K145 WeakPolarHBondContact O-CG 3.35Å; R141-K145 PolarHBondContact O-N 3.38Å; H142-K145 PolarHBondContact O-N 3.48Å; K145-L147 VanDerWaalsContact C-N 3.34Å; K145-L147 PolarHBondContact O-N 3.08Å; K145-Q148 PolarHBondContact O-N 3.28Å; K145-K149 WeakPolarHBondContact O-CG 3.4Å; K145-K149 PolarHBondContact O-N 2.96Å |
| 146 | K | 98.7 | Very high | 97.9 | Very high | 119 Ų | 119 | 119.3 Ų | 119.3 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 173.2 | -82.7 | -167.3 | 169.2 | 177.1 | 0 | 111.8 | H142 K143 K149 R150 | H142-K146 WeakPolarHBondContact NE2-CE 3.3Å; H142-K146 PolarHBondContact NE2-NZ 3.36Å; H142-K146 PolarHBondContact O-N 3.48Å; K143-K146 PolarHBondContact O-N 3.32Å; K146-K149 PolarHBondContact O-N 3.39Å; K146-R150 WeakPolarHBondContact O-CG 3.39Å; K146-R150 PolarHBondContact O-N 3.32Å; K146-R150 VanDerWaalsContact O-N 3.08Å; K146-R150 PolarHBondContact O-NE 3.32Å |
| 147 | L | 98.4 | Very high | 97.9 | Very high | 82 Ų | 82 | 120.6 Ų | 120.6 | 43% | 0.429 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 174.7 | 179.9 | 63.6 | 0 | 0 | 0 | 111.8 | K143 Y144 K145 K149 R150 T151 | K143-L147 WeakPolarHBondContact O-CB 3.49Å; K143-L147 PolarHBondContact O-N 3.27Å; Y144-L147 PolarHBondContact O-N 3.41Å; K145-L147 VanDerWaalsContact C-N 3.34Å; K145-L147 PolarHBondContact O-N 3.08Å; L147-K149 VanDerWaalsContact C-N 3.3Å; L147-K149 PolarHBondContact O-N 3.48Å; L147-R150 PolarHBondContact O-N 2.91Å; L147-T151 HydrophobicContact CD1-CG2 3.9Å; L147-T151 WeakPolarHBondContact O-CB 3.35Å; L147-T151 PolarHBondContact O-N 2.87Å; L147-T151 PolarHBondContact O-OG1 2.98Å |
| 148 | Q | 97.8 | Very high | 97.8 | Very high | 53 Ų | 53 | 115.3 Ų | 115.3 | 25% | 0.248 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 176.7 | -74.2 | -167.6 | -29.9 | 0 | 0 | 112.1 | Y144 K145 K152 | Y144-Q148 HydrophobicContact CD1-CG 4.22Å; Y144-Q148 HydrophobicContact CE1-CG 3.87Å; Y144-Q148 HydrophobicContact CE2-CG 4.29Å; Y144-Q148 WeakPolarHBondContact O-CG 3.22Å; Y144-Q148 PolarHBondContact O-N 2.96Å; Y144-Q148 PolarHBondContact OH-NE2 3.45Å; K145-Q148 PolarHBondContact O-N 3.28Å; Q148-K152 WeakPolarHBondContact O-CA 3.33Å; Q148-K152 PolarHBondContact O-N 2.85Å |
| 149 | K | 98.2 | Very high | 97.7 | Very high | 167 Ų | 167 | 113 Ų | 113 | 73% | 0.726 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.2 | -51.1 | 176.4 | -72.6 | -176.9 | 178.6 | -170.2 | 0 | 111.4 | K145 K146 L147 T151 K152 | K145-K149 WeakPolarHBondContact O-CG 3.4Å; K145-K149 PolarHBondContact O-N 2.96Å; K146-K149 PolarHBondContact O-N 3.39Å; L147-K149 VanDerWaalsContact C-N 3.3Å; L147-K149 PolarHBondContact O-N 3.48Å; K149-T151 VanDerWaalsContact C-N 3.28Å; K149-T151 PolarHBondContact O-N 3.33Å; K149-K152 WeakPolarHBondContact O-CB 3.36Å; K149-K152 PolarHBondContact O-N 3.48Å |
| 150 | R | 98.3 | Very high | 97.4 | Very high | 194 Ų | 194 | 113.6 Ų | 113.6 | 73% | 0.732 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.9 | -36.4 | 179.1 | -71.6 | -176.7 | -71.1 | 169.3 | -0.6 | 113.1 | K146 L147 | K146-R150 WeakPolarHBondContact O-CG 3.39Å; K146-R150 PolarHBondContact O-N 3.32Å; K146-R150 VanDerWaalsContact O-N 3.08Å; K146-R150 PolarHBondContact O-NE 3.32Å; L147-R150 PolarHBondContact O-N 2.91Å |
| 151 | T | 98.3 | Very high | 97.3 | Very high | 39 Ų | 39 | 110 Ų | 110 | 24% | 0.239 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 11.8 | -176.2 | 59.5 | 0 | 0 | 0 | 0 | 114 | L147 K149 F153 L154 K155 | L147-T151 HydrophobicContact CD1-CG2 3.9Å; L147-T151 WeakPolarHBondContact O-CB 3.35Å; L147-T151 PolarHBondContact O-N 2.87Å; L147-T151 PolarHBondContact O-OG1 2.98Å; K149-T151 VanDerWaalsContact C-N 3.28Å; K149-T151 PolarHBondContact O-N 3.33Å; T151-F153 VanDerWaalsContact C-N 3.35Å; T151-F153 PolarHBondContact O-N 2.87Å; T151-L154 PolarHBondContact O-N 2.85Å; T151-K155 WeakPolarHBondContact O-CG 3.35Å; T151-K155 PolarHBondContact O-N 3.43Å |
| 152 | K | 97.4 | Very high | 97.2 | Very high | 137 Ų | 137 | 110.2 Ų | 110.2 | 60% | 0.596 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -49.7 | -50.4 | -172.5 | 179.8 | -176.2 | 176.3 | -174.7 | 0 | 113 | Q148 K149 K155 R156 | Q148-K152 WeakPolarHBondContact O-CA 3.33Å; Q148-K152 PolarHBondContact O-N 2.85Å; K149-K152 WeakPolarHBondContact O-CB 3.36Å; K149-K152 PolarHBondContact O-N 3.48Å; K152-K155 PolarHBondContact O-N 2.95Å; K152-R156 PolarHBondContact O-N 2.87Å |
| 153 | F | 97.2 | Very high | 97 | Very high | 149 Ų | 149 | 106.5 Ų | 106.5 | 65% | 0.654 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -72.9 | -38.9 | -175.8 | -63.7 | -76.3 | 0 | 0 | 0 | 112.8 | T151 K155 R156 K157 | T151-F153 VanDerWaalsContact C-N 3.35Å; T151-F153 PolarHBondContact O-N 2.87Å; F153-K155 VanDerWaalsContact C-N 3.35Å; F153-K155 PolarHBondContact O-N 3.45Å; F153-R156 PolarHBondContact O-N 2.7Å; F153-K157 PolarHBondContact O-N 3.25Å |
| 154 | L | 97.5 | Very high | 96.9 | Very high | 109 Ų | 109 | 107.3 Ų | 107.3 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.4 | -46.7 | 172.7 | 178.8 | 61.5 | 0 | 0 | 0 | 110.7 | T151 R156 K157 V158 | T151-L154 PolarHBondContact O-N 2.85Å; L154-R156 VanDerWaalsContact C-N 3.33Å; L154-R156 PolarHBondContact O-N 2.95Å; L154-K157 PolarHBondContact O-N 3.46Å; L154-V158 HydrophobicContact CD1-CG2 4.24Å; L154-V158 WeakPolarHBondContact O-CG2 3.5Å; L154-V158 PolarHBondContact O-N 3.35Å |
| 155 | K | 96.5 | Very high | 96.8 | Very high | 80 Ų | 80 | 110.4 Ų | 110.4 | 35% | 0.348 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 176.6 | -69.7 | -175.1 | 75.1 | 176 | 0 | 111.9 | T151 K152 F153 V158 L159 | T151-K155 WeakPolarHBondContact O-CG 3.35Å; T151-K155 PolarHBondContact O-N 3.43Å; K152-K155 PolarHBondContact O-N 2.95Å; F153-K155 VanDerWaalsContact C-N 3.35Å; F153-K155 PolarHBondContact O-N 3.45Å; K155-V158 PolarHBondContact O-N 3.39Å; K155-L159 WeakPolarHBondContact O-CB 3.36Å; K155-L159 VanDerWaalsContact O-CG 3.27Å; K155-L159 WeakPolarHBondContact O-CG 3.47Å; K155-L159 PolarHBondContact O-N 3.47Å |
| 156 | R | 94.9 | Very high | 96.7 | Very high | 135 Ų | 135 | 111.6 Ų | 111.6 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -50.3 | 174.4 | -173.9 | 178.5 | -176.9 | 176.1 | 2 | 111.2 | K152 F153 L154 V158 L159 E160 | K152-R156 PolarHBondContact O-N 2.87Å; F153-R156 PolarHBondContact O-N 2.7Å; L154-R156 VanDerWaalsContact C-N 3.33Å; L154-R156 PolarHBondContact O-N 2.95Å; R156-V158 PolarHBondContact O-N 2.84Å; R156-L159 PolarHBondContact O-N 2.95Å; R156-E160 WeakPolarHBondContact O-CB 3.48Å; R156-E160 PolarHBondContact O-N 2.92Å |
| 157 | K | 95.8 | Very high | 96.6 | Very high | 156 Ų | 156 | 106 Ų | 106 | 68% | 0.678 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.8 | -45.2 | 178 | -175.4 | -179.3 | -69.5 | -173 | 0 | 112 | F153 L154 E160 G161 | F153-K157 PolarHBondContact O-N 3.25Å; L154-K157 PolarHBondContact O-N 3.46Å; K157-E160 PolarHBondContact O-N 3.07Å; K157-G161 PolarHBondContact O-N 2.72Å |
| 158 | V | 96.6 | Very high | 96.5 | Very high | 64 Ų | 64 | 108.1 Ų | 108.1 | 39% | 0.388 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 178.7 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | L154 K155 R156 E160 G161 R162 | L154-V158 HydrophobicContact CD1-CG2 4.24Å; L154-V158 WeakPolarHBondContact O-CG2 3.5Å; L154-V158 PolarHBondContact O-N 3.35Å; K155-V158 PolarHBondContact O-N 3.39Å; R156-V158 PolarHBondContact O-N 2.84Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-G161 PolarHBondContact O-N 3.25Å; V158-R162 HydrophobicContact CG1-CG 4.47Å; V158-R162 WeakPolarHBondContact O-CB 3.43Å; V158-R162 WeakPolarHBondContact O-CG 3.42Å; V158-R162 PolarHBondContact O-N 2.87Å |
| 159 | L | 95.1 | Very high | 96.5 | Very high | 111 Ų | 111 | 114.2 Ų | 114.2 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -40.9 | 177.8 | -76.2 | 172.5 | 0 | 0 | 0 | 111.8 | K155 R156 R162 G163 | K155-L159 WeakPolarHBondContact O-CB 3.36Å; K155-L159 VanDerWaalsContact O-CG 3.27Å; K155-L159 WeakPolarHBondContact O-CG 3.47Å; K155-L159 PolarHBondContact O-N 3.47Å; R156-L159 PolarHBondContact O-N 2.95Å; L159-R162 PolarHBondContact O-N 2.89Å; L159-G163 PolarHBondContact O-N 2.69Å |
| 160 | E | 93.9 | Very high | 96.4 | Very high | 89 Ų | 89 | 109 Ų | 109 | 42% | 0.416 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 174.8 | -172.5 | -177.1 | 165.6 | 0 | 0 | 111.5 | R156 K157 V158 R162 G163 R164 | R156-E160 WeakPolarHBondContact O-CB 3.48Å; R156-E160 PolarHBondContact O-N 2.92Å; K157-E160 PolarHBondContact O-N 3.07Å; V158-E160 VanDerWaalsContact C-N 3.34Å; E160-R162 VanDerWaalsContact C-N 3.32Å; E160-R162 PolarHBondContact O-N 3.28Å; E160-G163 PolarHBondContact O-N 3.19Å; E160-G163 VanDerWaalsContact O-N 3.14Å; E160-R164 WeakPolarHBondContact O-CG 3.48Å; E160-R164 PolarHBondContact O-N 3.49Å; E160-R164 IonicContact OE1-CZ 3.56Å; E160-R164 IonicContact OE1-NE 3.6Å; E160-R164 PolarHBondContact OE1-NE 3.27Å; E160-R164 IonicContact OE1-NH2 2.93Å; E160-R164 PolarHBondContact OE1-NH2 3.09Å |
| 161 | G | 96.1 | Very high | 96.3 | Very high | 28 Ų | 28 | 103 Ų | 103 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K157 V158 R164 R165 | K157-G161 PolarHBondContact O-N 2.72Å; V158-G161 PolarHBondContact O-N 3.25Å; G161-R164 PolarHBondContact O-N 3.26Å; G161-R165 WeakPolarHBondContact O-CG 3.46Å; G161-R165 PolarHBondContact O-N 2.81Å; G161-R165 VanDerWaalsContact O-N 3.07Å |
| 162 | R | 96.4 | Very high | 96.2 | Very high | 168 Ų | 168 | 105.5 Ų | 105.5 | 63% | 0.634 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 173.2 | -74 | 178.5 | -178.7 | -164.7 | -0.6 | 111.8 | V158 L159 E160 R165 K166 | V158-R162 HydrophobicContact CG1-CG 4.47Å; V158-R162 WeakPolarHBondContact O-CB 3.43Å; V158-R162 WeakPolarHBondContact O-CG 3.42Å; V158-R162 PolarHBondContact O-N 2.87Å; L159-R162 PolarHBondContact O-N 2.89Å; E160-R162 VanDerWaalsContact C-N 3.32Å; E160-R162 PolarHBondContact O-N 3.28Å; R162-R165 PolarHBondContact O-N 3.26Å; R162-K166 WeakPolarHBondContact O-CB 3.36Å; R162-K166 PolarHBondContact O-N 3.23Å |
| 163 | G | 95.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 102 Ų | 102 | 17% | 0.165 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L159 E160 R165 K166 Q167 | L159-G163 PolarHBondContact O-N 2.69Å; E160-G163 PolarHBondContact O-N 3.19Å; E160-G163 VanDerWaalsContact O-N 3.14Å; G163-R165 PolarHBondContact O-N 3.47Å; G163-K166 WeakPolarHBondContact O-CB 3.41Å; G163-K166 PolarHBondContact O-N 3.09Å; G163-Q167 PolarHBondContact O-N 3.44Å |
| 164 | R | 95 | Very high | 96 | Very high | 148 Ų | 148 | 96.7 Ų | 96.7 | 56% | 0.558 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.3 | -45.4 | 175.1 | -66.8 | 178.6 | -171.5 | -160.7 | 2 | 112.3 | E160 G161 K166 Q167 K168 | E160-R164 WeakPolarHBondContact O-CG 3.48Å; E160-R164 PolarHBondContact O-N 3.49Å; E160-R164 IonicContact OE1-CZ 3.56Å; E160-R164 IonicContact OE1-NE 3.6Å; E160-R164 PolarHBondContact OE1-NE 3.27Å; E160-R164 IonicContact OE1-NH2 2.93Å; E160-R164 PolarHBondContact OE1-NH2 3.09Å; G161-R164 PolarHBondContact O-N 3.26Å; R164-K166 VanDerWaalsContact C-N 3.3Å; R164-K166 PolarHBondContact O-N 3.47Å; R164-Q167 PolarHBondContact O-N 3.35Å; R164-K168 PolarHBondContact O-N 2.96Å |
| 165 | R | 96.7 | Very high | 95.9 | Very high | 183 Ų | 183 | 94.7 Ų | 94.7 | 69% | 0.691 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.9 | -37.1 | 175.6 | -70.4 | 176.9 | -170.9 | 177.5 | 2 | 112.2 | G161 R162 G163 R169 | G161-R165 WeakPolarHBondContact O-CG 3.46Å; G161-R165 PolarHBondContact O-N 2.81Å; G161-R165 VanDerWaalsContact O-N 3.07Å; R162-R165 PolarHBondContact O-N 3.26Å; G163-R165 PolarHBondContact O-N 3.47Å; R165-R169 WeakPolarHBondContact O-CG 3.49Å; R165-R169 PolarHBondContact O-N 2.63Å |
| 166 | K | 96.6 | Very high | 95.9 | Very high | 116 Ų | 116 | 98.3 Ų | 98.3 | 50% | 0.504 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 176.9 | -167.3 | 177.2 | -178.7 | -173.4 | 0 | 111.5 | R162 G163 R164 R169 F170 F196 | R162-K166 WeakPolarHBondContact O-CB 3.36Å; R162-K166 PolarHBondContact O-N 3.23Å; G163-K166 WeakPolarHBondContact O-CB 3.41Å; G163-K166 PolarHBondContact O-N 3.09Å; R164-K166 VanDerWaalsContact C-N 3.3Å; R164-K166 PolarHBondContact O-N 3.47Å; K166-R169 PolarHBondContact O-N 2.9Å; K166-F170 PolarHBondContact O-N 2.8Å; K166-F170 VanDerWaalsContact O-N 3.11Å; K166-F196 HydrophobicContact CB-CB 4.38Å; K166-F196 HydrophobicContact CB-CD2 4.48Å; K166-F196 HydrophobicContact CB-CG 4.34Å; K166-F196 HydrophobicContact CD-CB 4.49Å; K166-F196 HydrophobicContact CD-CD1 3.62Å; K166-F196 HydrophobicContact CD-CD2 4.26Å; K166-F196 HydrophobicContact CD-CE1 3.85Å; K166-F196 HydrophobicContact CD-CE2 4.43Å; K166-F196 HydrophobicContact CD-CG 3.85Å; K166-F196 HydrophobicContact CD-CZ 4.24Å; K166-F196 HydrophobicContact CG-CB 4.47Å; K166-F196 HydrophobicContact CG-CD1 4.19Å; K166-F196 HydrophobicContact CG-CD2 3.91Å; K166-F196 HydrophobicContact CG-CE1 4.46Å; K166-F196 HydrophobicContact CG-CE2 4.17Å; K166-F196 HydrophobicContact CG-CG 3.91Å; K166-F196 HydrophobicContact CG-CZ 4.44Å; K166-F196 VanDerWaalsContact NZ-CE1 3.3Å |
| 167 | Q | 96.2 | Very high | 96 | Very high | 2 Ų | 2 | 96.7 Ų | 96.7 | 1% | 0.009 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 174.5 | -175.5 | 63.4 | 31.6 | 0 | 0 | 111.8 | G163 R164 R169 F170 E171 P193 F196 I197 | G163-Q167 PolarHBondContact O-N 3.44Å; R164-Q167 PolarHBondContact O-N 3.35Å; Q167-R169 VanDerWaalsContact C-N 3.34Å; Q167-R169 PolarHBondContact O-N 3.42Å; Q167-F170 WeakPolarHBondContact O-CB 3.4Å; Q167-F170 PolarHBondContact O-N 3.19Å; Q167-F170 VanDerWaalsContact O-N 3.11Å; Q167-E171 VanDerWaalsContact CG-OE1 3.29Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.4Å; Q167-E171 PolarHBondContact NE2-OE1 2.87Å; Q167-E171 PolarHBondContact O-N 3.05Å; Q167-P193 PolarHBondContact NE2-O 3.29Å; Q167-F196 HydrophobicContact CB-CB 4.29Å; Q167-I197 HydrophobicContact CB-CD1 4.01Å; Q167-I197 HydrophobicContact CB-CG1 3.95Å; Q167-I197 HydrophobicContact CG-CD1 3.83Å; Q167-I197 HydrophobicContact CG-CG1 4.1Å |
| 168 | K | 96.5 | Very high | 95.9 | Very high | 126 Ų | 126 | 91.3 Ų | 91.3 | 55% | 0.548 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 177.2 | -176.5 | 174 | 173.5 | 179.3 | 0 | 111.9 | R164 F170 E171 E172 | R164-K168 PolarHBondContact O-N 2.96Å; K168-F170 VanDerWaalsContact C-N 3.27Å; K168-F170 PolarHBondContact O-N 3.45Å; K168-E171 PolarHBondContact O-N 2.95Å; K168-E172 WeakPolarHBondContact CE-OE1 3.5Å; K168-E172 HydrophobicContact CG-CG 4.34Å; K168-E172 IonicContact NZ-OE1 2.95Å; K168-E172 WeakPolarHBondContact O-CB 3.21Å; K168-E172 VanDerWaalsContact O-CG 3.3Å; K168-E172 WeakPolarHBondContact O-CG 3.48Å; K168-E172 PolarHBondContact O-N 3.14Å |
| 169 | R | 97.4 | Very high | 95.8 | Very high | 182 Ų | 182 | 95.7 Ų | 95.7 | 69% | 0.687 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.9 | -36 | 176.3 | -74.9 | 176.6 | -176.7 | -172.2 | -2.5 | 112.9 | R165 K166 Q167 D173 | R165-R169 WeakPolarHBondContact O-CG 3.49Å; R165-R169 PolarHBondContact O-N 2.63Å; K166-R169 PolarHBondContact O-N 2.9Å; Q167-R169 VanDerWaalsContact C-N 3.34Å; Q167-R169 PolarHBondContact O-N 3.42Å; R169-D173 WeakPolarHBondContact O-CB 3.23Å; R169-D173 PolarHBondContact O-N 3.04Å; R169-D173 VanDerWaalsContact O-N 3.09Å |
| 170 | F | 96.8 | Very high | 95.9 | Very high | 56 Ų | 56 | 101.4 Ų | 101.4 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67.7 | -45.2 | 175.9 | 169.4 | -104.1 | 0 | 0 | 0 | 111.5 | K166 Q167 K168 D173 L174 T192 I195 F196 | K166-F170 PolarHBondContact O-N 2.8Å; K166-F170 VanDerWaalsContact O-N 3.11Å; Q167-F170 WeakPolarHBondContact O-CB 3.4Å; Q167-F170 PolarHBondContact O-N 3.19Å; Q167-F170 VanDerWaalsContact O-N 3.11Å; K168-F170 VanDerWaalsContact C-N 3.27Å; K168-F170 PolarHBondContact O-N 3.45Å; F170-D173 PolarHBondContact O-N 3.31Å; F170-L174 HydrophobicContact CD1-CD1 4.29Å; F170-L174 HydrophobicContact CE1-CD1 3.69Å; F170-L174 HydrophobicContact CE2-CD1 4.15Å; F170-L174 HydrophobicContact CE2-CG 4.37Å; F170-L174 HydrophobicContact CZ-CD1 3.61Å; F170-L174 HydrophobicContact CZ-CG 4.33Å; F170-L174 WeakPolarHBondContact O-CG 3.4Å; F170-L174 PolarHBondContact O-N 3.09Å; F170-L174 VanDerWaalsContact O-N 3.09Å; F170-T192 HydrophobicContact CD1-CG2 4.21Å; F170-T192 HydrophobicContact CE1-CG2 3.75Å; F170-I195 HydrophobicContact CE1-CD1 4.06Å; F170-I195 HydrophobicContact CE2-CD1 4.49Å; F170-I195 HydrophobicContact CZ-CD1 3.83Å; F170-F196 HydrophobicContact CB-CD2 4.34Å; F170-F196 HydrophobicContact CB-CE2 4.03Å; F170-F196 HydrophobicContact CD2-CE2 4.45Å; F170-F196 HydrophobicContact CG-CE2 4.2Å |
| 171 | E | 95.8 | Very high | 96 | Very high | 68 Ų | 68 | 100.8 Ų | 100.8 | 32% | 0.318 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.1 | -74.4 | 164 | -165.9 | 0 | 0 | 112 | Q167 K168 D173 L174 E175 T192 | Q167-E171 VanDerWaalsContact CG-OE1 3.29Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.4Å; Q167-E171 PolarHBondContact NE2-OE1 2.87Å; Q167-E171 PolarHBondContact O-N 3.05Å; K168-E171 PolarHBondContact O-N 2.95Å; E171-D173 VanDerWaalsContact C-N 3.29Å; E171-D173 PolarHBondContact O-N 3.26Å; E171-L174 PolarHBondContact O-N 2.68Å; E171-E175 WeakPolarHBondContact O-CB 3.35Å; E171-E175 PolarHBondContact O-N 2.99Å; E171-T192 HydrophobicContact CG-CG2 3.71Å |
| 172 | E | 96.4 | Very high | 95.9 | Very high | 93 Ų | 93 | 102.5 Ų | 102.5 | 44% | 0.435 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.4 | -34.4 | 175.9 | -73.4 | 172.5 | 163.9 | 0 | 0 | 112.7 | K168 E175 R176 | K168-E172 WeakPolarHBondContact CE-OE1 3.5Å; K168-E172 HydrophobicContact CG-CG 4.34Å; K168-E172 IonicContact NZ-OE1 2.95Å; K168-E172 WeakPolarHBondContact O-CB 3.21Å; K168-E172 VanDerWaalsContact O-CG 3.3Å; K168-E172 WeakPolarHBondContact O-CG 3.48Å; K168-E172 PolarHBondContact O-N 3.14Å; E172-E175 PolarHBondContact O-N 3.22Å; E172-R176 WeakPolarHBondContact O-CB 3.19Å; E172-R176 PolarHBondContact O-N 3.15Å |
| 173 | D | 96.8 | Very high | 95.8 | Very high | 62 Ų | 62 | 98.6 Ų | 98.6 | 33% | 0.332 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70 | -44.8 | 177.8 | -167 | 10.7 | 0 | 0 | 0 | 111.4 | R169 F170 E171 E175 R176 I177 | R169-D173 WeakPolarHBondContact O-CB 3.23Å; R169-D173 PolarHBondContact O-N 3.04Å; R169-D173 VanDerWaalsContact O-N 3.09Å; F170-D173 PolarHBondContact O-N 3.31Å; E171-D173 VanDerWaalsContact C-N 3.29Å; E171-D173 PolarHBondContact O-N 3.26Å; D173-E175 VanDerWaalsContact C-N 3.26Å; D173-E175 PolarHBondContact O-N 2.98Å; D173-R176 VanDerWaalsContact CG-NH2 3.3Å; D173-R176 WeakPolarHBondContact O-CB 3.45Å; D173-R176 PolarHBondContact O-N 2.99Å; D173-R176 IonicContact OD1-CZ 3.72Å; D173-R176 IonicContact OD1-NE 2.69Å; D173-R176 PolarHBondContact OD1-NE 3.27Å; D173-R176 IonicContact OD1-NH2 3.13Å; D173-R176 PolarHBondContact OD1-NH2 2.72Å; D173-R176 IonicContact OD2-NH2 3.78Å; D173-I177 WeakPolarHBondContact O-CG1 3.17Å; D173-I177 PolarHBondContact O-N 3.27Å |
| 174 | L | 95 | Very high | 95.6 | Very high | 38 Ų | 38 | 107.6 Ų | 107.6 | 20% | 0.199 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 171.9 | -65.8 | 177.8 | 0 | 0 | 0 | 111.2 | F170 E171 R176 I177 W178 T192 | F170-L174 HydrophobicContact CD1-CD1 4.29Å; F170-L174 HydrophobicContact CE1-CD1 3.69Å; F170-L174 HydrophobicContact CE2-CD1 4.15Å; F170-L174 HydrophobicContact CE2-CG 4.37Å; F170-L174 HydrophobicContact CZ-CD1 3.61Å; F170-L174 HydrophobicContact CZ-CG 4.33Å; F170-L174 WeakPolarHBondContact O-CG 3.4Å; F170-L174 PolarHBondContact O-N 3.09Å; F170-L174 VanDerWaalsContact O-N 3.09Å; E171-L174 PolarHBondContact O-N 2.68Å; L174-R176 VanDerWaalsContact C-N 3.32Å; L174-R176 PolarHBondContact O-N 2.69Å; L174-I177 PolarHBondContact O-N 2.97Å; L174-I177 VanDerWaalsContact O-N 3.17Å; L174-W178 VanDerWaalsContact C-CE3 3.5Å; L174-W178 HydrophobicContact CB-CE3 4.36Å; L174-W178 HydrophobicContact CB-CZ3 3.89Å; L174-W178 PolarHBondContact O-N 3.09Å; L174-W178 VanDerWaalsContact O-N 3.16Å; L174-T192 HydrophobicContact CD1-CG2 3.61Å |
| 175 | E | 94.7 | Very high | 95.5 | Very high | 67 Ų | 67 | 108.9 Ų | 108.9 | 31% | 0.313 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 176.3 | -179.3 | 177.8 | 175.9 | 0 | 0 | 112.8 | E171 E172 D173 I177 W178 R179 | E171-E175 WeakPolarHBondContact O-CB 3.35Å; E171-E175 PolarHBondContact O-N 2.99Å; E172-E175 PolarHBondContact O-N 3.22Å; D173-E175 VanDerWaalsContact C-N 3.26Å; D173-E175 PolarHBondContact O-N 2.98Å; E175-I177 VanDerWaalsContact C-N 3.29Å; E175-I177 PolarHBondContact O-N 2.67Å; E175-W178 HydrophobicContact CB-CD2 4.45Å; E175-W178 HydrophobicContact CB-CH2 3.72Å; E175-W178 HydrophobicContact CB-CZ2 3.36Å; E175-W178 HydrophobicContact CB-CZ3 4.43Å; E175-W178 HydrophobicContact CG-CH2 4.32Å; E175-W178 HydrophobicContact CG-CZ2 3.45Å; E175-W178 VanDerWaalsContact CG-CZ2 3.45Å; E175-W178 PolarHBondContact O-N 2.8Å; E175-W178 PolarHBondContact O-NE1 3.3Å; E175-R179 HydrophobicContact CG-CG 4.4Å; E175-R179 WeakPolarHBondContact O-CB 3.17Å; E175-R179 WeakPolarHBondContact O-CG 3.21Å; E175-R179 PolarHBondContact O-N 2.74Å; E175-R179 IonicContact OE1-CZ 3.45Å; E175-R179 IonicContact OE1-NE 2.67Å; E175-R179 IonicContact OE1-NH1 3.92Å; E175-R179 IonicContact OE1-NH2 3.49Å; E175-R179 PolarHBondContact OE1-NH2 2.81Å |
| 176 | R | 96.3 | Very high | 95.3 | Very high | 156 Ų | 156 | 101.9 Ų | 101.9 | 59% | 0.589 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.8 | -39.7 | 175.5 | -179.1 | 177.1 | 63.9 | -154.4 | 10.8 | 111.8 | E172 D173 L174 R180 | E172-R176 WeakPolarHBondContact O-CB 3.19Å; E172-R176 PolarHBondContact O-N 3.15Å; D173-R176 VanDerWaalsContact CG-NH2 3.3Å; D173-R176 WeakPolarHBondContact O-CB 3.45Å; D173-R176 PolarHBondContact O-N 2.99Å; D173-R176 IonicContact OD1-CZ 3.72Å; D173-R176 IonicContact OD1-NE 2.69Å; D173-R176 PolarHBondContact OD1-NE 3.27Å; D173-R176 IonicContact OD1-NH2 3.13Å; D173-R176 PolarHBondContact OD1-NH2 2.72Å; D173-R176 IonicContact OD2-NH2 3.78Å; L174-R176 VanDerWaalsContact C-N 3.32Å; L174-R176 PolarHBondContact O-N 2.69Å; R176-R180 WeakPolarHBondContact O-CB 3.47Å; R176-R180 PolarHBondContact O-N 3.26Å |
| 177 | I | 96.3 | Very high | 95.2 | Very high | 102 Ų | 102 | 99.4 Ų | 99.4 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.7 | -51.1 | 179.7 | -67.8 | 165.6 | 0 | 0 | 0 | 110.9 | D173 L174 E175 R179 R180 A181 | D173-I177 WeakPolarHBondContact O-CG1 3.17Å; D173-I177 PolarHBondContact O-N 3.27Å; L174-I177 PolarHBondContact O-N 2.97Å; L174-I177 VanDerWaalsContact O-N 3.17Å; E175-I177 VanDerWaalsContact C-N 3.29Å; E175-I177 PolarHBondContact O-N 2.67Å; I177-R179 PolarHBondContact O-N 2.78Å; I177-R180 PolarHBondContact O-N 2.78Å; I177-A181 PolarHBondContact O-N 2.72Å |
| 178 | W | 94.4 | Very high | 95 | Very high | 43 Ų | 43 | 107.5 Ų | 107.5 | 16% | 0.163 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -68.7 | -35.9 | -178.2 | 68.3 | 63.1 | 0 | 0 | 0 | 112.1 | L174 E175 R180 A181 G182 L183 A186 | L174-W178 VanDerWaalsContact C-CE3 3.5Å; L174-W178 HydrophobicContact CB-CE3 4.36Å; L174-W178 HydrophobicContact CB-CZ3 3.89Å; L174-W178 PolarHBondContact O-N 3.09Å; L174-W178 VanDerWaalsContact O-N 3.16Å; E175-W178 HydrophobicContact CB-CD2 4.45Å; E175-W178 HydrophobicContact CB-CH2 3.72Å; E175-W178 HydrophobicContact CB-CZ2 3.36Å; E175-W178 HydrophobicContact CB-CZ3 4.43Å; E175-W178 HydrophobicContact CG-CH2 4.32Å; E175-W178 HydrophobicContact CG-CZ2 3.45Å; E175-W178 VanDerWaalsContact CG-CZ2 3.45Å; E175-W178 PolarHBondContact O-N 2.8Å; E175-W178 PolarHBondContact O-NE1 3.3Å; W178-R180 VanDerWaalsContact C-N 3.33Å; W178-R180 PolarHBondContact O-N 3.37Å; W178-A181 CarbonylContact O-C 3.55Å; W178-A181 WeakPolarHBondContact O-CB 3.27Å; W178-A181 PolarHBondContact O-N 2.95Å; W178-A181 VanDerWaalsContact O-N 3.16Å; W178-G182 PolarHBondContact O-N 2.84Å; W178-L183 HydrophobicContact CB-CB 4.22Å; W178-L183 HydrophobicContact CB-CD1 4.29Å; W178-L183 WeakPolarHBondContact O-CB 3.36Å; W178-L183 PolarHBondContact O-N 3.07Å; W178-A186 HydrophobicContact CE3-CB 4.37Å; W178-A186 HydrophobicContact CH2-CB 4.33Å; W178-A186 HydrophobicContact CZ3-CB 4.23Å |
| 179 | R | 94.5 | Very high | 94.7 | Very high | 155 Ų | 155 | 105.7 Ų | 105.7 | 59% | 0.585 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.9 | -36.9 | 176 | -73.7 | -148.1 | -76.9 | -156.4 | -10.7 | 111.9 | E175 I177 A181 G182 | E175-R179 HydrophobicContact CG-CG 4.4Å; E175-R179 WeakPolarHBondContact O-CB 3.17Å; E175-R179 WeakPolarHBondContact O-CG 3.21Å; E175-R179 PolarHBondContact O-N 2.74Å; E175-R179 IonicContact OE1-CZ 3.45Å; E175-R179 IonicContact OE1-NE 2.67Å; E175-R179 IonicContact OE1-NH1 3.92Å; E175-R179 IonicContact OE1-NH2 3.49Å; E175-R179 PolarHBondContact OE1-NH2 2.81Å; I177-R179 PolarHBondContact O-N 2.78Å; R179-A181 VanDerWaalsContact C-N 3.27Å; R179-A181 PolarHBondContact O-N 3.09Å; R179-G182 PolarHBondContact O-N 3.03Å; R179-G182 VanDerWaalsContact O-N 3.09Å |
| 180 | R | 96.6 | Very high | 94.5 | Very high | 231 Ų | 231 | 103.7 Ų | 103.7 | 87% | 0.872 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.2 | -32.2 | 173.1 | -173 | 176.3 | -176.8 | -178.1 | 0.9 | 112.1 | R176 I177 W178 G182 | R176-R180 WeakPolarHBondContact O-CB 3.47Å; R176-R180 PolarHBondContact O-N 3.26Å; I177-R180 PolarHBondContact O-N 2.78Å; W178-R180 VanDerWaalsContact C-N 3.33Å; W178-R180 PolarHBondContact O-N 3.37Å; R180-G182 PolarHBondContact O-N 2.89Å |
| 181 | A | 96.1 | Very high | 94.2 | Very high | 76 Ų | 76 | 105 Ų | 105 | 63% | 0.628 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 0.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I177 W178 R179 | I177-A181 PolarHBondContact O-N 2.72Å; W178-A181 CarbonylContact O-C 3.55Å; W178-A181 WeakPolarHBondContact O-CB 3.27Å; W178-A181 PolarHBondContact O-N 2.95Å; W178-A181 VanDerWaalsContact O-N 3.16Å; R179-A181 VanDerWaalsContact C-N 3.27Å; R179-A181 PolarHBondContact O-N 3.09Å |
| 182 | G | 95.1 | Very high | 94 | Very high | 64 Ų | 64 | 103.8 Ų | 103.8 | 66% | 0.66 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 1.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | W178 R179 R180 | W178-G182 PolarHBondContact O-N 2.84Å; R179-G182 PolarHBondContact O-N 3.03Å; R179-G182 VanDerWaalsContact O-N 3.09Å; R180-G182 PolarHBondContact O-N 2.89Å |
| 183 | L | 94.7 | Very high | 93.7 | Very high | 86 Ų | 86 | 102.2 Ų | 102.2 | 45% | 0.45 | 54% | 0.542 | S | S | . | . | trans | -79.6 | 129.8 | 176.6 | -62.9 | 172.1 | 0 | 0 | 0 | 110.5 | W178 P187 | W178-L183 HydrophobicContact CB-CB 4.22Å; W178-L183 HydrophobicContact CB-CD1 4.29Å; W178-L183 WeakPolarHBondContact O-CB 3.36Å; W178-L183 PolarHBondContact O-N 3.07Å; L183-P187 HydrophobicContact CD1-CG 4.3Å | ||
| 184 | K | 90.5 | Very high | 93.5 | Very high | 205 Ų | 205 | 105.4 Ų | 105.4 | 89% | 0.891 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -77.8 | -26.7 | 175.6 | -68.8 | -177.2 | 179.5 | 176.8 | 0 | 113 | ||
| 185 | K | 91.7 | Very high | 93.4 | Very high | 175 Ų | 175 | 108.6 Ų | 108.6 | 76% | 0.761 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -126.6 | 164.4 | -178.3 | -64.6 | -177.8 | -179.6 | 177.7 | 0 | 109.5 | ||
| 186 | A | 93.1 | Very high | 93.2 | Very high | 36 Ų | 36 | 109 Ų | 109 | 30% | 0.298 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 150.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110 | W178 | W178-A186 HydrophobicContact CE3-CB 4.37Å; W178-A186 HydrophobicContact CH2-CB 4.33Å; W178-A186 HydrophobicContact CZ3-CB 4.23Å |
| 187 | P | 94.1 | Very high | 92.9 | Very high | 64 Ų | 64 | 104.7 Ų | 104.7 | 42% | 0.416 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 145.1 | 173.4 | -24.6 | 33.9 | 0 | 0 | 0 | 111.9 | L183 G189 W190 | L183-P187 HydrophobicContact CD1-CG 4.3Å; P187-G189 PolarHBondContact O-N 3.14Å; P187-W190 HydrophobicContact CB-CB 4.34Å; P187-W190 WeakPolarHBondContact O-CB 3.04Å; P187-W190 PolarHBondContact O-N 3.46Å |
| 188 | D | 92.5 | Very high | 92 | Very high | 172 Ų | 172 | 107.9 Ų | 107.9 | 92% | 0.92 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 133 | -179.5 | -69 | -31.3 | 0 | 0 | 0 | 110.9 | W190 | D188-W190 VanDerWaalsContact C-N 3.29Å; D188-W190 PolarHBondContact O-N 2.93Å |
| 189 | G | 91.1 | Very high | 91 | Very high | 88 Ų | 88 | 112.2 Ų | 112.2 | 91% | 0.907 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79 | -1.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | P187 | P187-G189 PolarHBondContact O-N 3.14Š|
| 190 | W | 91.6 | Very high | 89.4 | Confident | 141 Ų | 141 | 111.1 Ų | 111.1 | 53% | 0.534 | 59% | 0.591 | S | S | . | * | trans | -87.4 | 117.2 | 177.5 | -173.7 | -104.4 | 0 | 0 | 0 | 112.6 | P187 D188 | P187-W190 HydrophobicContact CB-CB 4.34Å; P187-W190 WeakPolarHBondContact O-CB 3.04Å; P187-W190 PolarHBondContact O-N 3.46Å; D188-W190 VanDerWaalsContact C-N 3.29Å; D188-W190 PolarHBondContact O-N 2.93Å | ||
| 191 | A | 90.7 | Very high | 87.5 | Confident | 84 Ų | 84 | 102.6 Ų | 102.6 | 69% | 0.694 | 58% | 0.576 | S | S | * | * | trans | -112.8 | 118.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P193 | A191-P193 VanDerWaalsContact O-CD 3.28Å; A191-P193 WeakPolarHBondContact O-CD 3.41Å | ||
| 192 | T | 91.4 | Very high | 85.3 | Confident | 42 Ų | 42 | 105.9 Ų | 105.9 | 26% | 0.258 | 58% | 0.583 | S | S | . | * | trans | -66.3 | 118.5 | -176.8 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | F170 E171 L174 | F170-T192 HydrophobicContact CD1-CG2 4.21Å; F170-T192 HydrophobicContact CE1-CG2 3.75Å; E171-T192 HydrophobicContact CG-CG2 3.71Å; L174-T192 HydrophobicContact CD1-CG2 3.61Å | ||
| 193 | P | 91.5 | Very high | 83.1 | Confident | 60 Ų | 60 | 113 Ų | 113 | 39% | 0.39 | 60% | 0.595 | S | S | . | * | trans | -73 | 145 | -178.3 | 28.7 | -34.6 | 0 | 0 | 0 | 112.1 | Q167 A191 I195 | Q167-P193 PolarHBondContact NE2-O 3.29Å; A191-P193 VanDerWaalsContact O-CD 3.28Å; A191-P193 WeakPolarHBondContact O-CD 3.41Å; P193-I195 HydrophobicContact CB-CG1 4.14Å; P193-I195 HydrophobicContact CG-CD1 4.08Å; P193-I195 HydrophobicContact CG-CG1 4.03Å; P193-I195 PolarHBondContact O-N 3.42Å | ||
| 194 | K | 92.7 | Very high | 81 | Confident | 128 Ų | 128 | 120 Ų | 120 | 56% | 0.557 | 62% | 0.616 | S | S | * | * | trans | -87.6 | 79.4 | 175 | -68.3 | -179.2 | -178.5 | 174.3 | 0 | 111.2 | I197 | K194-I197 HydrophobicContact CD-CD1 4.36Š| ||
| 195 | I | 92.7 | Very high | 78.7 | Confident | 106 Ų | 106 | 121.9 Ų | 121.9 | 54% | 0.544 | 64% | 0.636 | S | S | . | * | trans | -78.2 | -36.7 | -174 | -51.2 | 168.6 | 0 | 0 | 0 | 111.8 | F170 P193 | F170-I195 HydrophobicContact CE1-CD1 4.06Å; F170-I195 HydrophobicContact CE2-CD1 4.49Å; F170-I195 HydrophobicContact CZ-CD1 3.83Å; P193-I195 HydrophobicContact CB-CG1 4.14Å; P193-I195 HydrophobicContact CG-CD1 4.08Å; P193-I195 HydrophobicContact CG-CG1 4.03Å; P193-I195 PolarHBondContact O-N 3.42Å | ||
| 196 | F | 90.6 | Very high | 78.1 | Confident | 76 Ų | 76 | 119.3 Ų | 119.3 | 33% | 0.333 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -93.6 | -5.6 | -173.7 | -61.4 | -63.2 | 0 | 0 | 0 | 114.7 | K166 Q167 F170 | K166-F196 HydrophobicContact CB-CB 4.38Å; K166-F196 HydrophobicContact CB-CD2 4.48Å; K166-F196 HydrophobicContact CB-CG 4.34Å; K166-F196 HydrophobicContact CD-CB 4.49Å; K166-F196 HydrophobicContact CD-CD1 3.62Å; K166-F196 HydrophobicContact CD-CD2 4.26Å; K166-F196 HydrophobicContact CD-CE1 3.85Å; K166-F196 HydrophobicContact CD-CE2 4.43Å; K166-F196 HydrophobicContact CD-CG 3.85Å; K166-F196 HydrophobicContact CD-CZ 4.24Å; K166-F196 HydrophobicContact CG-CB 4.47Å; K166-F196 HydrophobicContact CG-CD1 4.19Å; K166-F196 HydrophobicContact CG-CD2 3.91Å; K166-F196 HydrophobicContact CG-CE1 4.46Å; K166-F196 HydrophobicContact CG-CE2 4.17Å; K166-F196 HydrophobicContact CG-CG 3.91Å; K166-F196 HydrophobicContact CG-CZ 4.44Å; K166-F196 VanDerWaalsContact NZ-CE1 3.3Å; Q167-F196 HydrophobicContact CB-CB 4.29Å; F170-F196 HydrophobicContact CB-CD2 4.34Å; F170-F196 HydrophobicContact CB-CE2 4.03Å; F170-F196 HydrophobicContact CD2-CE2 4.45Å; F170-F196 HydrophobicContact CG-CE2 4.2Å |
| 197 | I | 88.9 | Confident | 77.3 | Confident | 64 Ų | 64 | 123.6 Ų | 123.6 | 33% | 0.328 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -98.7 | 112.2 | 176.8 | -59.8 | 175.7 | 0 | 0 | 0 | 107.6 | Q167 K194 Q199 | Q167-I197 HydrophobicContact CB-CD1 4.01Å; Q167-I197 HydrophobicContact CB-CG1 3.95Å; Q167-I197 HydrophobicContact CG-CD1 3.83Å; Q167-I197 HydrophobicContact CG-CG1 4.1Å; K194-I197 HydrophobicContact CD-CD1 4.36Å; I197-Q199 PolarHBondContact O-N 3.15Å |
| 198 | K | 78.1 | Confident | 76.4 | Confident | 170 Ų | 170 | 126.9 Ų | 126.9 | 74% | 0.739 | 66% | 0.66 | S | S | * | * | trans | -67.2 | 107.2 | 176.7 | -171.8 | 176.6 | -176.8 | 178.3 | 0 | 109.5 | Q200 | K198-Q200 HydrophobicContact CD-CG 4.47Å; K198-Q200 HydrophobicContact CG-CG 4.3Å; K198-Q200 PolarHBondContact O-N 2.98Å | ||
| 199 | Q | 72.8 | Confident | 75.4 | Confident | 133 Ų | 133 | 124.3 Ų | 124.3 | 62% | 0.621 | 65% | 0.645 | S | S | * | * | trans | -69.5 | 108.5 | 168.2 | -59.8 | -169.5 | 8.2 | 0 | 0 | 108 | I197 G201 | I197-Q199 PolarHBondContact O-N 3.15Å; Q199-G201 PolarHBondContact O-N 2.84Å | ||
| 200 | Q | 61.8 | Low | 74.4 | Confident | 132 Ų | 132 | 126.6 Ų | 126.6 | 62% | 0.617 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -82.2 | 18.2 | -175.8 | -72.4 | 174.4 | 28 | 0 | 0 | 113.3 | K198 | K198-Q200 HydrophobicContact CD-CG 4.47Å; K198-Q200 HydrophobicContact CG-CG 4.3Å; K198-Q200 PolarHBondContact O-N 2.98Å |
| 201 | G | 55.8 | Low | 73.3 | Confident | 53 Ų | 53 | 125.6 Ų | 125.6 | 55% | 0.546 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -125.2 | -21.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | Q199 K203 | Q199-G201 PolarHBondContact O-N 2.84Å; G201-K203 PolarHBondContact O-N 2.69Å |
| 202 | N | 49.5 | Very low | 72 | Confident | 145 Ų | 145 | 128.6 Ų | 128.6 | 78% | 0.775 | 63% | 0.63 | S | S | * | * | trans | -100.8 | 48.8 | -171 | -86.8 | 2 | 0 | 0 | 0 | 114.4 | ||||
| 203 | K | 50 | Low | 70.6 | Confident | 212 Ų | 212 | 135.2 Ų | 135.2 | 92% | 0.922 | 66% | 0.659 | S | S | * | * | trans | -123.5 | 68.6 | 157.5 | -78.6 | -169.4 | 174.7 | -167.6 | 0 | 108.4 | G201 | G201-K203 PolarHBondContact O-N 2.69Š| ||
| 204 | R | 51 | Low | 68.8 | Low | 234 Ų | 234 | 141.5 Ų | 141.5 | 88% | 0.883 | 68% | 0.681 | S | S | * | * | trans | -101.8 | 105.5 | 149.7 | -75.7 | -177.2 | 176.9 | 178.6 | -1.6 | 104.8 | ||||
| 205 | N | 41.8 | Very low | 66.6 | Low | 245 Ų | 245 | 142.7 Ų | 142.7 | 100% | 1.31 | 69% | 0.693 | S | S | * | * | trans | -164.6 | 0 | 156.7 | -84.2 | -16.6 | 0 | 0 | 0 | 104.7 |
Retrieved 205 of 205 residues in 68.8 ms
(Link to these results)