| 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 | 27.9 | Very low | 36.9 | Very low | 239 Ų | 239 | 170.6 Ų | 170.6 | 100% | 1.177 | 81% | 0.814 | S | S | * | * | 0 | 139.4 | 0 | -77.1 | -74.9 | 164.8 | 0 | 0 | 108.4 | |||||
| 2 | P | 43.4 | Very low | 36.9 | Very low | 117 Ų | 117 | 163.5 Ų | 163.5 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | -112.3 | 153.8 | -119.3 | 36.4 | -29.6 | 0 | 0 | 0 | 114.7 | |||||
| 3 | R | 32.5 | Very low | 37.1 | Very low | 243 Ų | 243 | 166.4 Ų | 166.4 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -91.7 | 103.5 | 163.3 | -90.8 | -179.9 | 158.1 | 137.7 | -4.6 | 109 | ||||
| 4 | S | 35.3 | Very low | 36.7 | Very low | 94 Ų | 94 | 168.1 Ų | 168.1 | 66% | 0.657 | 82% | 0.815 | S | S | * | * | trans | -55.5 | 141.2 | 153.6 | 44 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 5 | F | 33.8 | Very low | 35.9 | Very low | 183 Ų | 183 | 170.5 Ų | 170.5 | 80% | 0.803 | 82% | 0.82 | S | S | * | * | trans | -169.2 | 110.2 | 138.3 | -90.4 | -68.1 | 0 | 0 | 0 | 110.2 | ||||
| 6 | L | 41.3 | Very low | 35.6 | Very low | 113 Ų | 113 | 166.6 Ų | 166.6 | 59% | 0.592 | 81% | 0.813 | S | S | * | * | trans | 67.8 | 85.1 | 139.9 | -61.5 | 168.9 | 0 | 0 | 0 | 119.9 | K8 | L6-K8 HydrophobicContact CD1-CD 4.47Å; L6-K8 HydrophobicContact CD2-CD 3.85Å; L6-K8 HydrophobicContact CD2-CG 4.04Å; L6-K8 PolarHBondContact O-N 3.45Å | ||
| 7 | V | 40.9 | Very low | 35 | Very low | 153 Ų | 153 | 164.6 Ų | 164.6 | 93% | 0.927 | 81% | 0.807 | S | S | * | * | trans | -72.9 | 93.2 | 143.6 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 8 | K | 37 | Very low | 35.1 | Very low | 153 Ų | 153 | 164.5 Ų | 164.5 | 67% | 0.665 | 80% | 0.797 | S | S | * | * | trans | -110.7 | 103.7 | 170.1 | -89.7 | 176.8 | 174.4 | 172.2 | 0 | 110.3 | L6 | L6-K8 HydrophobicContact CD1-CD 4.47Å; L6-K8 HydrophobicContact CD2-CD 3.85Å; L6-K8 HydrophobicContact CD2-CG 4.04Å; L6-K8 PolarHBondContact O-N 3.45Å | ||
| 9 | K | 42.5 | Very low | 34.8 | Very low | 192 Ų | 192 | 160.1 Ų | 160.1 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 3 | 116.7 | 145.9 | -65.5 | 176.6 | 175.5 | 177 | 0 | 116.6 | ||||
| 10 | Y | 31.7 | Very low | 34.9 | Very low | 202 Ų | 202 | 160.3 Ų | 160.3 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -168.2 | 128 | 152.5 | -81.4 | -64.4 | 0 | 0 | 0 | 106.3 | ||||
| 11 | F | 39.7 | Very low | 34.9 | Very low | 188 Ų | 188 | 157.3 Ų | 157.3 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | cis | -143.5 | 141.6 | 12.1 | -97.2 | -88.4 | 0 | 0 | 0 | 110.3 | ||||
| 12 | A | 36.7 | Very low | 34.9 | Very low | 85 Ų | 85 | 153.4 Ų | 153.4 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | trans | -78.1 | 158 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 13 | K | 39 | Very low | 34.5 | Very low | 201 Ų | 201 | 151.3 Ų | 151.3 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | 78.3 | 93.1 | 169.1 | -59.4 | -179.8 | 179.3 | -179.7 | 0 | 116.2 | ||||
| 14 | Q | 32 | Very low | 34.6 | Very low | 190 Ų | 190 | 147 Ų | 147 | 89% | 0.888 | 73% | 0.728 | S | S | * | * | -157.8 | 107.3 | 113.3 | -98 | 172.7 | 39.6 | 0 | 0 | 106.6 | P16 | Q14-P16 WeakPolarHBondContact O-CD 3.37Š| |||
| 15 | K | 24.7 | Very low | 34.5 | Very low | 204 Ų | 204 | 147.2 Ų | 147.2 | 89% | 0.887 | 72% | 0.722 | S | S | * | * | trans | -74.6 | 113.2 | 164.5 | -68.5 | -176.6 | 179.3 | -177.8 | 0 | 105.3 | N17 | K15-N17 PolarHBondContact O-N 3.33Š| ||
| 16 | P | 31.8 | Very low | 34.4 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | trans | -62.7 | 115.5 | 165.7 | 25.5 | -29.8 | 0 | 0 | 0 | 106.6 | Q14 Y18 | Q14-P16 WeakPolarHBondContact O-CD 3.37Å; P16-Y18 PolarHBondContact O-N 3.41Å | ||
| 17 | N | 25.4 | Very low | 34.2 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | -64.2 | 112.4 | 172.2 | -170.9 | -14.5 | 0 | 0 | 0 | 107.6 | K15 S19 | K15-N17 PolarHBondContact O-N 3.33Å; N17-S19 WeakPolarHBondContact OD1-CB 3.39Å; N17-S19 PolarHBondContact OD1-N 3.1Å; N17-S19 VanDerWaalsContact OD1-N 3.11Å; N17-S19 PolarHBondContact OD1-OG 3.01Å | ||
| 18 | Y | 36.3 | Very low | 33.6 | Very low | 163 Ų | 163 | 142 Ų | 142 | 64% | 0.639 | 71% | 0.709 | S | S | * | * | trans | -114.9 | 61.7 | 171 | -109.6 | -96.6 | 0 | 0 | 0 | 107.1 | P16 L21 | P16-Y18 PolarHBondContact O-N 3.41Å; Y18-L21 HydrophobicContact CD1-CD1 3.75Å; Y18-L21 HydrophobicContact CE1-CD1 3.4Å | ||
| 19 | S | 29.4 | Very low | 33.5 | Very low | 80 Ų | 80 | 142.6 Ų | 142.6 | 56% | 0.559 | 72% | 0.718 | S | S | * | * | trans | -82 | 123.4 | 166.5 | 52 | 0 | 0 | 0 | 0 | 109.1 | N17 | N17-S19 WeakPolarHBondContact OD1-CB 3.39Å; N17-S19 PolarHBondContact OD1-N 3.1Å; N17-S19 VanDerWaalsContact OD1-N 3.11Å; N17-S19 PolarHBondContact OD1-OG 3.01Å | ||
| 20 | E | 36 | Very low | 32.6 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | trans | 59.9 | 97.2 | 168.5 | -83.1 | 164.3 | 127.8 | 0 | 0 | 117.8 | ||||
| 21 | L | 35.7 | Very low | 32.6 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 52% | 0.518 | 71% | 0.71 | S | S | . | * | trans | -124.5 | 95.1 | 156 | -73.8 | 167 | 0 | 0 | 0 | 108.1 | Y18 | Y18-L21 HydrophobicContact CD1-CD1 3.75Å; Y18-L21 HydrophobicContact CE1-CD1 3.4Å | ||
| 22 | E | 28.4 | Very low | 32 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 73% | 0.729 | 71% | 0.706 | S | S | * | * | trans | -77.6 | 130.9 | 169.3 | -64.2 | -176.3 | 132 | 0 | 0 | 109.2 | ||||
| 23 | C | 34.2 | Very low | 31.7 | Very low | 74 Ų | 74 | 138.3 Ų | 138.3 | 50% | 0.5 | 71% | 0.709 | S | S | . | * | trans | -103.4 | 104.9 | 170.3 | -74.3 | 0 | 0 | 0 | 0 | 108.1 | T122 | C23-T122 PolarHBondContact SG-OG1 3.1Š| ||
| 24 | Q | 34.8 | Very low | 31.1 | Very low | 153 Ų | 153 | 137 Ų | 137 | 72% | 0.715 | 71% | 0.71 | S | S | * | * | trans | -71.4 | 125.8 | 168 | -71.3 | 172.3 | -16.2 | 0 | 0 | 109.2 | D26 | Q24-D26 PolarHBondContact O-N 3.33Š| ||
| 25 | N | 33.3 | Very low | 31 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 52% | 0.524 | 70% | 0.704 | S | S | . | * | trans | -81 | 101.2 | 159.9 | -87.4 | -12.5 | 0 | 0 | 0 | 106.6 | T27 | N25-T27 PolarHBondContact O-N 3.04Š| ||
| 26 | D | 31.1 | Very low | 31.2 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 68% | 0.684 | 70% | 0.704 | S | S | * | * | trans | -72.5 | 82.9 | 164.8 | -71.9 | -43.3 | 0 | 0 | 0 | 108.6 | Q24 S28 | Q24-D26 PolarHBondContact O-N 3.33Å; D26-S28 PolarHBondContact O-N 2.84Å | ||
| 27 | T | 38.3 | Very low | 31.3 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | -88 | 57.2 | 153.5 | 46.7 | 0 | 0 | 0 | 0 | 108.4 | N25 L29 | N25-T27 PolarHBondContact O-N 3.04Å; T27-L29 PolarHBondContact O-N 3.16Å; T27-L29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | S | 27.6 | Very low | 31.5 | Very low | 88 Ų | 88 | 132.1 Ų | 132.1 | 62% | 0.615 | 71% | 0.712 | S | S | * | * | trans | -75.4 | 100.8 | 163.3 | -66 | 0 | 0 | 0 | 0 | 107.1 | D26 E30 | D26-S28 PolarHBondContact O-N 2.84Å; S28-E30 PolarHBondContact O-N 3.44Å | ||
| 29 | L | 34.8 | Very low | 31.2 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | -60 | 89.5 | 154.6 | -78.5 | 162 | 0 | 0 | 0 | 106.5 | T27 T31 | T27-L29 PolarHBondContact O-N 3.16Å; T27-L29 VanDerWaalsContact O-N 3.16Å; L29-T31 PolarHBondContact O-N 2.91Å | ||
| 30 | E | 24.8 | Very low | 31.4 | Very low | 146 Ų | 146 | 131 Ų | 131 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | trans | -60.8 | 95.4 | 158.4 | -74.3 | -93.9 | 122.3 | 0 | 0 | 105.9 | S28 Y32 | S28-E30 PolarHBondContact O-N 3.44Å; E30-Y32 VanDerWaalsContact C-N 3.28Å; E30-Y32 HydrophobicContact CB-CD2 4.5Å; E30-Y32 HydrophobicContact CB-CE2 4.21Å; E30-Y32 PolarHBondContact O-N 2.88Å | ||
| 31 | T | 29.9 | Very low | 31 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | trans | -68.7 | 95.3 | 164 | -54.6 | 0 | 0 | 0 | 0 | 104.8 | L29 P33 | L29-T31 PolarHBondContact O-N 2.91Å; T31-P33 WeakPolarHBondContact O-CD 3.36Å | ||
| 32 | Y | 27.6 | Very low | 30.8 | Very low | 190 Ų | 190 | 134.4 Ų | 134.4 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | trans | -61 | 124.4 | 169 | -77 | -88.3 | 0 | 0 | 0 | 107.7 | E30 L34 | E30-Y32 VanDerWaalsContact C-N 3.28Å; E30-Y32 HydrophobicContact CB-CD2 4.5Å; E30-Y32 HydrophobicContact CB-CE2 4.21Å; E30-Y32 PolarHBondContact O-N 2.88Å; Y32-L34 PolarHBondContact O-N 3.44Å | ||
| 33 | P | 29.8 | Very low | 30.7 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | trans | -59.9 | 130.3 | 171.6 | -17.8 | 29.5 | 0 | 0 | 0 | 108.9 | T31 A35 | T31-P33 WeakPolarHBondContact O-CD 3.36Å; P33-A35 PolarHBondContact O-N 2.99Å | ||
| 34 | L | 28.1 | Very low | 30.8 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | -57.9 | 108.5 | 164.3 | -79.3 | 162.4 | 0 | 0 | 0 | 107.2 | Y32 E36 | Y32-L34 PolarHBondContact O-N 3.44Å; L34-E36 PolarHBondContact O-N 3.11Å; L34-E36 VanDerWaalsContact O-N 3.1Å | ||
| 35 | A | 28.9 | Very low | 30.5 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -63.9 | 111.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | P33 V37 | P33-A35 PolarHBondContact O-N 2.99Å; A35-V37 PolarHBondContact O-N 3.49Å | ||
| 36 | E | 29.7 | Very low | 30.7 | Very low | 186 Ų | 186 | 133.6 Ų | 133.6 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 128.6 | 168 | -66.3 | -178.1 | 139.4 | 0 | 0 | 109 | L34 P38 | L34-E36 PolarHBondContact O-N 3.11Å; L34-E36 VanDerWaalsContact O-N 3.1Å; E36-P38 WeakPolarHBondContact O-CD 3.22Å |
| 37 | V | 32.4 | Very low | 30.7 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 117.3 | 175 | -144.4 | 0 | 0 | 0 | 0 | 106.9 | A35 S39 | A35-V37 PolarHBondContact O-N 3.49Å; V37-S39 PolarHBondContact O-N 3.44Å |
| 38 | P | 30.3 | Very low | 30.4 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 123.4 | 175.4 | -10.8 | 26.9 | 0 | 0 | 0 | 109.3 | E36 A40 | E36-P38 WeakPolarHBondContact O-CD 3.22Å; P38-A40 PolarHBondContact O-N 3.32Å |
| 39 | S | 30.2 | Very low | 30.8 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 124 | 163.1 | -46.2 | 0 | 0 | 0 | 0 | 109.1 | V37 | V37-S39 PolarHBondContact O-N 3.44Š|
| 40 | A | 32.6 | Very low | 31.1 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -124.2 | 107.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P38 | P38-A40 PolarHBondContact O-N 3.32Š| ||
| 41 | D | 28.6 | Very low | 31.6 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -69.3 | 158 | 168.2 | -74.2 | -50.2 | 0 | 0 | 0 | 112.1 | ||||
| 42 | H | 30.5 | Very low | 32.2 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -23.4 | 140.6 | 173.9 | -81 | -100 | 0 | 0 | 0 | 119.5 | ||||
| 43 | S | 27.1 | Very low | 32.6 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | 131.2 | 144.4 | 113.3 | -133.1 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 44 | T | 35.5 | Very low | 32.8 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | 81.7 | 143 | 174 | 76.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 45 | S | 28.5 | Very low | 33.1 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | cis | 179 | 154.7 | -23 | 178.9 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 46 | T | 37.9 | Very low | 33.4 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | 79.5 | 141.9 | 168.6 | 77.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 47 | C | 31.7 | Very low | 33.6 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | cis | -173.7 | 150.2 | -36.9 | 52.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 48 | F | 31.7 | Very low | 34 | Very low | 194 Ų | 194 | 134.6 Ų | 134.6 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | 67.8 | 140.1 | 159.2 | -76.6 | -72.4 | 0 | 0 | 0 | 119 | ||||
| 49 | T | 36.4 | Very low | 34.4 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 66% | 0.663 | 79% | 0.793 | S | S | * | * | cis | -154 | 142.9 | 20.3 | 40.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 50 | T | 40.6 | Very low | 35.4 | Very low | 141 Ų | 141 | 136 Ų | 136 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | 51.4 | 129.7 | 143.5 | 63.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 51 | G | 35.1 | Very low | 35.6 | Very low | 70 Ų | 70 | 135.5 Ų | 135.5 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | cis | 175.2 | 173.5 | 9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 52 | L | 42.3 | Very low | 35.7 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | trans | 87.4 | 88.3 | 172.3 | -51.2 | -177.9 | 0 | 0 | 0 | 117.9 | ||||
| 53 | V | 36.1 | Very low | 35.8 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -65.7 | 149.9 | 146.1 | -81 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 54 | W | 34.7 | Very low | 36.4 | Very low | 238 Ų | 238 | 140 Ų | 140 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | -158.3 | 159.4 | 76.2 | -50.4 | -45.5 | 0 | 0 | 0 | 108.6 | |||||
| 55 | D | 35.2 | Very low | 37.2 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | cis | -161.5 | 161.9 | 11.1 | -144.2 | -42 | 0 | 0 | 0 | 108.8 | ||||
| 56 | L | 35.3 | Very low | 37.4 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -75.1 | 168.8 | -175.9 | -95.6 | 58.5 | 0 | 0 | 0 | 114.3 | ||||
| 57 | S | 33.9 | Very low | 37.5 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 91.3 | 118.4 | 153 | -38.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 58 | V | 40.5 | Very low | 37.5 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | -153.3 | 124.7 | 55.4 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 59 | L | 38.1 | Very low | 37.5 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -94 | 176.9 | 149.6 | -81 | 170.3 | 0 | 0 | 0 | 107.6 | ||||
| 60 | P | 51.7 | Low | 37.4 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | -138 | -175.4 | -7.9 | 22.7 | 3.4 | 0 | 0 | 0 | 112.8 | ||||
| 61 | A | 35.2 | Very low | 37.1 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | trans | 153 | 104.3 | 133.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 62 | L | 32.3 | Very low | 36.9 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | 52.3 | 100.1 | 87.7 | -63 | 179.4 | 0 | 0 | 0 | 113.2 | |||||
| 63 | Y | 32.7 | Very low | 36.4 | Very low | 214 Ų | 214 | 136.4 Ų | 136.4 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | -169.9 | 127.4 | 117.4 | -146.7 | -113.1 | 0 | 0 | 0 | 111.3 | |||||
| 64 | L | 39.4 | Very low | 36.2 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -102.1 | 179.6 | 166.2 | -133.3 | 89.5 | 0 | 0 | 0 | 108.1 | ||||
| 65 | P | 50.9 | Low | 36.1 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | -105.7 | 174 | -124.2 | 40.3 | -24.8 | 0 | 0 | 0 | 114.1 | |||||
| 66 | T | 34.3 | Very low | 35.9 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -142.2 | 114.7 | 156.8 | 37.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 67 | A | 38.9 | Very low | 36.6 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | -82.8 | 149.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 68 | H | 31.6 | Very low | 36.3 | Very low | 194 Ų | 194 | 129 Ų | 129 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -178.8 | 156.6 | 138.1 | -106.1 | -78.3 | 0 | 0 | 0 | 112.2 | ||||
| 69 | S | 32.4 | Very low | 35.6 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | 95.1 | 93.1 | 166.4 | -163.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 70 | E | 33.8 | Very low | 35.2 | Very low | 172 Ų | 172 | 127.8 Ų | 127.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | 73.8 | 111.3 | 78.7 | -66.3 | -156.2 | 132.1 | 0 | 0 | 113.2 | |||||
| 71 | A | 34.2 | Very low | 34.2 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | 87.3 | 141.6 | 104.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 72 | S | 32.3 | Very low | 34.1 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | cis | -175.4 | 157.4 | -0.5 | -85.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 73 | G | 30.5 | Very low | 34.6 | Very low | 69 Ų | 69 | 127.3 Ų | 127.3 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 102.2 | 146.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 74 | T | 33.3 | Very low | 34.2 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | cis | -164.1 | 144.5 | -5.8 | 39.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 75 | S | 31.2 | Very low | 33.7 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | 9.3 | 138.2 | 151.8 | 59.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 76 | G | 30.8 | Very low | 32.7 | Very low | 73 Ų | 73 | 123.9 Ų | 123.9 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 157.4 | 118.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 77 | P | 50.8 | Low | 32.4 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -100 | -168.4 | -177 | 39.4 | -32.1 | 0 | 0 | 0 | 113.5 | ||||
| 78 | L | 28.2 | Very low | 32 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | 95.2 | 137.3 | -178.7 | -49.7 | 177.8 | 0 | 0 | 0 | 112.2 | ||||
| 79 | D | 26 | Very low | 32.1 | Very low | 126 Ų | 126 | 121 Ų | 121 | 67% | 0.674 | 79% | 0.792 | S | S | * | * | cis | -163.1 | 173.7 | 14.8 | -141.6 | -63.8 | 0 | 0 | 0 | 109.9 | ||||
| 80 | L | 29.2 | Very low | 32 | Very low | 148 Ų | 148 | 121 Ų | 121 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -45.9 | 148.4 | 179.9 | -79.7 | 69.4 | 0 | 0 | 0 | 116 | ||||
| 81 | S | 29.8 | Very low | 31.8 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | 159.1 | 122.7 | 112.9 | 48.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 82 | S | 32.9 | Very low | 31.6 | Very low | 115 Ų | 115 | 120 Ų | 120 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -75.5 | 154.1 | 146.2 | -60.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 83 | P | 43.1 | Very low | 31.5 | Very low | 127 Ų | 127 | 120 Ų | 120 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | -139.6 | 161.1 | 111.1 | 33.9 | -19.4 | 0 | 0 | 0 | 114.4 | |||||
| 84 | C | 25.1 | Very low | 31.6 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -72.1 | 164.1 | 178.9 | -63.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 85 | S | 27.9 | Very low | 31.7 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | 80.9 | 104.5 | 145.6 | -52.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 86 | L | 31.1 | Very low | 31.7 | Very low | 174 Ų | 174 | 126.9 Ų | 126.9 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -139.8 | 122.4 | 133.8 | -79.7 | 177.3 | 0 | 0 | 0 | 110.2 | ||||
| 87 | S | 27.9 | Very low | 31.8 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -58.6 | 147.8 | 163.6 | 47.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 88 | S | 30.8 | Very low | 31.1 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | -164.9 | 121 | 138.3 | -79 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 89 | S | 33.3 | Very low | 31.3 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | -75 | 138 | 161.8 | 42.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 90 | A | 29.3 | Very low | 31.8 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 87% | 0.868 | 83% | 0.828 | S | S | * | * | trans | -154.7 | 124.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 91 | S | 29.7 | Very low | 32 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | -87.7 | 132.4 | 168.6 | -44.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 92 | S | 31.1 | Very low | 32.3 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -163.7 | 125.6 | 145.6 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 93 | S | 29.8 | Very low | 32.6 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -50 | 137.1 | 159.5 | 43.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 94 | G | 31.6 | Very low | 32.5 | Very low | 71 Ų | 71 | 132.8 Ų | 132.8 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | -156.7 | 112.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 95 | E | 36.6 | Very low | 33.1 | Very low | 198 Ų | 198 | 133.5 Ų | 133.5 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -79.2 | 122.9 | 178.1 | -61.5 | 168.1 | 119.7 | 0 | 0 | 108.5 | ||||
| 96 | E | 31.7 | Very low | 33.7 | Very low | 197 Ų | 197 | 133.3 Ų | 133.3 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -137.8 | 99.2 | 166.9 | -59.9 | -172.6 | 177.6 | 0 | 0 | 107.8 | ||||
| 97 | D | 33 | Very low | 34.4 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -95.9 | 110.5 | 170 | -161.2 | -48 | 0 | 0 | 0 | 106.2 | ||||
| 98 | E | 34.3 | Very low | 34.9 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -164.9 | 126.3 | 164.4 | -96.7 | -76.6 | 83.7 | 0 | 0 | 108.8 | ||||
| 99 | G | 32.9 | Very low | 35.6 | Very low | 60 Ų | 60 | 131.9 Ų | 131.9 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | trans | 91.8 | 81.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | S101 | G99-S101 VanDerWaalsContact C-N 3.27Å; G99-S101 PolarHBondContact O-N 3.19Å | ||
| 100 | R | 37.8 | Very low | 36.5 | Very low | 240 Ų | 240 | 132 Ų | 132 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -65.7 | 83.7 | 162.2 | -168.1 | 169.4 | -171.9 | -153.2 | 1 | 110.6 | S102 | R100-S102 PolarHBondContact O-N 3.44Å; R100-S102 VanDerWaalsContact O-N 3.15Å | ||
| 101 | S | 31.6 | Very low | 37.8 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | -66.7 | 108.1 | 165.6 | -65.9 | 0 | 0 | 0 | 0 | 108 | G99 D103 | G99-S101 VanDerWaalsContact C-N 3.27Å; G99-S101 PolarHBondContact O-N 3.19Å; S101-D103 PolarHBondContact O-N 3.05Å | ||
| 102 | S | 37.3 | Very low | 38.9 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -76 | 86 | 170.1 | -60 | 0 | 0 | 0 | 0 | 107.1 | R100 | R100-S102 PolarHBondContact O-N 3.44Å; R100-S102 VanDerWaalsContact O-N 3.15Å | ||
| 103 | D | 38 | Very low | 39.8 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 129.3 | 168.6 | -74.7 | -50.9 | 0 | 0 | 0 | 108.6 | S101 | S101-D103 PolarHBondContact O-N 3.05Š|
| 104 | P | 42.1 | Very low | 41 | Very low | 107 Ų | 107 | 126 Ų | 126 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 144.9 | 173.6 | 24.7 | -31.8 | 0 | 0 | 0 | 109.1 | S106 | P104-S106 PolarHBondContact O-N 3.35Š|
| 105 | P | 38.1 | Very low | 41.8 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 117.3 | 180 | 22.4 | -31.9 | 0 | 0 | 0 | 109.2 | ||
| 106 | S | 40.2 | Very low | 42.5 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 136.2 | 173.5 | -94 | 0 | 0 | 0 | 0 | 109.4 | P104 E108 | P104-S106 PolarHBondContact O-N 3.35Å; S106-E108 PolarHBondContact O-N 3.22Å |
| 107 | P | 44.4 | Very low | 43.4 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 79% | 0.792 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 127.3 | -178.4 | 23.3 | -32.5 | 0 | 0 | 0 | 109.5 | ||
| 108 | E | 39.2 | Very low | 44 | Very low | 174 Ų | 174 | 128.2 Ų | 128.2 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 135.4 | 177.9 | -68.6 | -145.3 | 160 | 0 | 0 | 109.8 | S106 V110 | S106-E108 PolarHBondContact O-N 3.22Å; E108-V110 PolarHBondContact O-N 3.3Å |
| 109 | P | 45.8 | Very low | 44.7 | Very low | 75 Ų | 75 | 121.4 Ų | 121.4 | 49% | 0.487 | 66% | 0.664 | S | S | . | * | trans | -63.8 | 108 | -175.3 | 23.6 | -32.2 | 0 | 0 | 0 | 110.3 | I111 P206 | P109-I111 PolarHBondContact O-N 2.59Å; P109-P206 HydrophobicContact CB-CB 4.24Å; P109-P206 HydrophobicContact CB-CG 3.79Å | ||
| 110 | V | 51.3 | Low | 45.3 | Very low | 126 Ų | 126 | 127 Ų | 127 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | trans | -70.6 | 104.8 | 175.4 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | E108 T112 | E108-V110 PolarHBondContact O-N 3.3Å; V110-T112 PolarHBondContact O-N 3.23Å; V110-T112 VanDerWaalsContact O-N 3.11Å | ||
| 111 | I | 56.4 | Low | 45.4 | Very low | 66 Ų | 66 | 118.3 Ų | 118.3 | 34% | 0.338 | 65% | 0.646 | S | S | . | * | trans | -72.3 | 105.4 | 174.1 | -55.6 | 173.4 | 0 | 0 | 0 | 108 | P109 Y113 L218 | P109-I111 PolarHBondContact O-N 2.59Å; I111-Y113 HydrophobicContact CB-CE1 4.17Å; I111-Y113 HydrophobicContact CG2-CD1 4.04Å; I111-Y113 HydrophobicContact CG2-CE1 3.41Å; I111-Y113 VanDerWaalsContact CG2-CE1 3.41Å; I111-Y113 PolarHBondContact O-N 3.45Å; I111-L218 HydrophobicContact CG2-CD2 4.23Å | ||
| 112 | T | 53.7 | Low | 46 | Very low | 94 Ų | 94 | 117.1 Ų | 117.1 | 58% | 0.577 | 64% | 0.635 | S | S | * | * | trans | -69.4 | 128.2 | 173.3 | 50.8 | 0 | 0 | 0 | 0 | 110.4 | V110 | V110-T112 PolarHBondContact O-N 3.23Å; V110-T112 VanDerWaalsContact O-N 3.11Å | ||
| 113 | Y | 51 | Low | 46.5 | Very low | 127 Ų | 127 | 113.7 Ų | 113.7 | 50% | 0.498 | 62% | 0.617 | S | S | . | * | trans | -109.6 | 125.7 | 177.1 | -60.2 | -57.2 | 0 | 0 | 0 | 110.7 | I111 F203 | I111-Y113 HydrophobicContact CB-CE1 4.17Å; I111-Y113 HydrophobicContact CG2-CD1 4.04Å; I111-Y113 HydrophobicContact CG2-CE1 3.41Å; I111-Y113 VanDerWaalsContact CG2-CE1 3.41Å; I111-Y113 PolarHBondContact O-N 3.45Å; Y113-F203 HydrophobicContact CD1-CD1 4.07Å; Y113-F203 AromaticContact CD1-CE1 3.72Å; Y113-F203 HydrophobicContact CD1-CE1 3.72Å; Y113-F203 HydrophobicContact CE1-CD1 4.24Å; Y113-F203 HydrophobicContact CE1-CE1 4.02Å | ||
| 114 | A | 54.2 | Low | 46.8 | Very low | 56 Ų | 56 | 112.8 Ų | 112.8 | 46% | 0.463 | 62% | 0.616 | S | S | . | * | trans | -67.3 | 152.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P202 | A114-P202 HydrophobicContact CB-CB 3.67Š| ||
| 115 | P | 48.7 | Very low | 46.9 | Very low | 127 Ų | 127 | 113.3 Ų | 113.3 | 83% | 0.825 | 61% | 0.611 | S | S | * | * | trans | -58.1 | 143.6 | -179 | 20.7 | -31.5 | 0 | 0 | 0 | 112.9 | Q117 | P115-Q117 PolarHBondContact O-N 3.15Š| ||
| 116 | R | 51.3 | Low | 47.4 | Very low | 196 Ų | 196 | 109.4 Ų | 109.4 | 74% | 0.74 | 59% | 0.589 | S | S | * | * | trans | -82.9 | 104.8 | -175.3 | -67.7 | -177.6 | 177.3 | -138.7 | 9.1 | 111.1 | R118 | R116-R118 PolarHBondContact O-N 3.14Š| ||
| 117 | Q | 51.1 | Low | 47.6 | Very low | 111 Ų | 111 | 112.9 Ų | 112.9 | 52% | 0.519 | 59% | 0.593 | S | S | . | * | trans | -61.8 | 117.1 | 168.8 | -70.7 | 176.4 | 3.1 | 0 | 0 | 111.2 | P115 M119 R191 E200 | P115-Q117 PolarHBondContact O-N 3.15Å; Q117-M119 PolarHBondContact O-N 3.28Å; Q117-R191 PolarHBondContact O-NE 3.34Å; Q117-R191 PolarHBondContact O-NH1 3.45Å; Q117-R191 PolarHBondContact O-NH2 3.4Å; Q117-E200 PolarHBondContact NE2-OE1 3.29Å | ||
| 118 | R | 45.1 | Very low | 47.8 | Very low | 241 Ų | 241 | 108.6 Ų | 108.6 | 91% | 0.909 | 57% | 0.565 | S | S | * | * | trans | -85.9 | 91.7 | -170 | -135.4 | -178.6 | 174.8 | -168.8 | -1.4 | 111.3 | R116 K120 | R116-R118 PolarHBondContact O-N 3.14Å; R118-K120 PolarHBondContact O-N 3.27Å | ||
| 119 | M | 49.7 | Very low | 48 | Very low | 47 Ų | 47 | 104.7 Ų | 104.7 | 23% | 0.232 | 56% | 0.557 | C | S | . | * | trans | -68.3 | 126.4 | 171.3 | -135.9 | 81.6 | 83.5 | 0 | 0 | 111.4 | Q117 I194 | Q117-M119 PolarHBondContact O-N 3.28Å; M119-I194 HydrophobicContact CE-CD1 3.18Å | ||
| 120 | K | 44.9 | Very low | 48 | Very low | 176 Ų | 176 | 105.8 Ų | 105.8 | 77% | 0.765 | 56% | 0.564 | S | S | * | * | trans | -75.7 | 141 | 167.1 | -131.8 | 95.5 | 173.7 | -159.6 | 0 | 108.7 | R118 | R118-K120 PolarHBondContact O-N 3.27Š| ||
| 121 | C | 39.2 | Very low | 47.6 | Very low | 58 Ų | 58 | 103.6 Ų | 103.6 | 39% | 0.392 | 55% | 0.552 | S | S | . | * | trans | -119.9 | 106.7 | 174.1 | -61.7 | 0 | 0 | 0 | 0 | 108.1 | G123 P187 | C121-G123 PolarHBondContact O-N 3.05Å; C121-P187 HydrophobicContact CB-CG 4.33Å; C121-P187 WeakPolarHBondContact SG-CB 3.44Å; C121-P187 WeakPolarHBondContact SG-CG 3.48Å | ||
| 122 | T | 45.3 | Very low | 46.8 | Very low | 73 Ų | 73 | 109 Ų | 109 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | trans | -91.6 | 81.1 | 177 | 44.4 | 0 | 0 | 0 | 0 | 108.6 | C23 | C23-T122 PolarHBondContact SG-OG1 3.1Š| ||
| 123 | G | 47.1 | Very low | 46.3 | Very low | 35 Ų | 35 | 113.7 Ų | 113.7 | 36% | 0.361 | 59% | 0.591 | S | S | . | * | trans | -130.7 | 116.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | C121 M125 | C121-G123 PolarHBondContact O-N 3.05Å; G123-M125 PolarHBondContact O-N 2.88Å; G123-M125 VanDerWaalsContact O-N 3.15Å | ||
| 124 | V | 45.2 | Very low | 45.9 | Very low | 122 Ų | 122 | 116 Ų | 116 | 74% | 0.739 | 61% | 0.606 | S | S | * | * | trans | -66.9 | 111.6 | 171.7 | -176.2 | 0 | 0 | 0 | 0 | 107.1 | A126 | V124-A126 PolarHBondContact O-N 3.44Š| ||
| 125 | M | 43.1 | Very low | 45.8 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 58% | 0.581 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 129 | 173.1 | -66.4 | -137.8 | -139.4 | 0 | 0 | 108.2 | G123 H127 | G123-M125 PolarHBondContact O-N 2.88Å; G123-M125 VanDerWaalsContact O-N 3.15Å; M125-H127 PolarHBondContact O-N 2.74Å |
| 126 | A | 48.8 | Very low | 45.4 | Very low | 46 Ų | 46 | 123.9 Ų | 123.9 | 38% | 0.38 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 131.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V124 V128 | V124-A126 PolarHBondContact O-N 3.44Å; A126-V128 PolarHBondContact O-N 2.79Å; A126-V128 VanDerWaalsContact O-N 3.14Å |
| 127 | H | 43.5 | Very low | 45.3 | Very low | 181 Ų | 181 | 125.3 Ų | 125.3 | 84% | 0.838 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 120.8 | 168.6 | -102.2 | -101.9 | 0 | 0 | 0 | 108.1 | M125 | M125-H127 PolarHBondContact O-N 2.74Š|
| 128 | V | 49.8 | Very low | 44.8 | Very low | 32 Ų | 32 | 123.1 Ų | 123.1 | 19% | 0.194 | 64% | 0.635 | C | S | . | * | trans | -104.7 | 102.4 | 169.4 | -169.5 | 0 | 0 | 0 | 0 | 105.5 | A126 L161 L164 K165 I168 | A126-V128 PolarHBondContact O-N 2.79Å; A126-V128 VanDerWaalsContact O-N 3.14Å; V128-L161 HydrophobicContact CB-CD1 3.78Å; V128-L161 HydrophobicContact CG1-CD1 3.24Å; V128-L164 HydrophobicContact CG1-CD2 4.1Å; V128-K165 HydrophobicContact CG2-CD 4.44Å; V128-K165 HydrophobicContact CG2-CG 3.7Å; V128-I168 HydrophobicContact CG2-CD1 4.22Å | ||
| 129 | S | 42.7 | Very low | 45.2 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 64% | 0.643 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 136.4 | 173.8 | -54.6 | 0 | 0 | 0 | 0 | 109 | ||
| 130 | P | 45.9 | Very low | 45 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 64% | 0.636 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 149.3 | 163.4 | -18.7 | 31.5 | 0 | 0 | 0 | 109.8 | E132 | P130-E132 PolarHBondContact O-N 3.14Š|
| 131 | P | 43.8 | Very low | 45.3 | Very low | 80 Ų | 80 | 122.8 Ų | 122.8 | 52% | 0.519 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 127.2 | 164.8 | 25.5 | -30.1 | 0 | 0 | 0 | 108 | E133 | P131-E133 PolarHBondContact O-N 3.4Š|
| 132 | E | 38.8 | Very low | 45.9 | Very low | 180 Ų | 180 | 124.6 Ų | 124.6 | 84% | 0.841 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 119 | 169.8 | -65 | 179.5 | 160.3 | 0 | 0 | 106.6 | P130 E134 | P130-E132 PolarHBondContact O-N 3.14Å; E132-E134 PolarHBondContact O-N 2.95Å |
| 133 | E | 42.8 | Very low | 46.1 | Very low | 191 Ų | 191 | 130.1 Ų | 130.1 | 89% | 0.893 | 71% | 0.709 | S | S | * | * | trans | -71.8 | 96.6 | 174.7 | -67.4 | -179.6 | -180 | 0 | 0 | 107.2 | P131 E135 | P131-E133 PolarHBondContact O-N 3.4Å; E133-E135 PolarHBondContact O-N 2.95Å; E133-E135 VanDerWaalsContact O-N 3.1Å | ||
| 134 | E | 43.8 | Very low | 46.3 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -69.1 | 103.6 | 164.9 | -70.3 | -170.3 | 167.7 | 0 | 0 | 107.7 | E132 E136 | E132-E134 PolarHBondContact O-N 2.95Å; E134-E136 PolarHBondContact O-N 3.3Å | ||
| 135 | E | 51.8 | Low | 47 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | -65.5 | 80.5 | 171.6 | -171.8 | -174.4 | 156.2 | 0 | 0 | 109.6 | E133 | E133-E135 PolarHBondContact O-N 2.95Å; E133-E135 VanDerWaalsContact O-N 3.1Å | ||
| 136 | E | 39.9 | Very low | 47.9 | Very low | 173 Ų | 173 | 135 Ų | 135 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | trans | -91.7 | 107.2 | 165.2 | -97.2 | -75.7 | 152.7 | 0 | 0 | 108.9 | E134 G138 | E134-E136 PolarHBondContact O-N 3.3Å; E136-G138 PolarHBondContact O-N 3.35Å | ||
| 137 | R | 49.1 | Very low | 48.5 | Very low | 226 Ų | 226 | 137 Ų | 137 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | -65.9 | 96.7 | 174.1 | -179.7 | -173.9 | -63.4 | 179.6 | 0.4 | 109.5 | ||||
| 138 | G | 41.3 | Very low | 50.2 | Low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | trans | -157.5 | 112.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E136 | E136-G138 PolarHBondContact O-N 3.35Š| ||
| 139 | E | 53.6 | Low | 51.9 | Low | 194 Ų | 194 | 131.3 Ų | 131.3 | 91% | 0.907 | 73% | 0.728 | S | S | * | * | trans | -68.9 | 125.9 | -174.3 | -57.9 | 171 | 151.5 | 0 | 0 | 113.1 | ||||
| 140 | T | 43.7 | Very low | 54 | Low | 136 Ų | 136 | 132.1 Ų | 132.1 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | trans | -155.3 | 157.3 | 151 | 52.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 141 | P | 52.3 | Low | 55.8 | Low | 127 Ų | 127 | 128 Ų | 128 | 83% | 0.825 | 70% | 0.698 | S | S | * | * | trans | -86.7 | 125.3 | -165.4 | -0.9 | 20.2 | 0 | 0 | 0 | 114.7 | M143 | P141-M143 PolarHBondContact O-N 3.44Š| ||
| 142 | A | 52.1 | Low | 57.7 | Low | 96 Ų | 96 | 131.5 Ų | 131.5 | 79% | 0.793 | 71% | 0.705 | S | S | * | * | trans | 26.1 | 81.9 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 143 | M | 49.1 | Very low | 59.8 | Low | 190 Ų | 190 | 127.9 Ų | 127.9 | 94% | 0.936 | 69% | 0.688 | S | S | * | * | -135.7 | 89.8 | 126.6 | -84.8 | -154 | 142.6 | 0 | 0 | 107.5 | P141 A145 | P141-M143 PolarHBondContact O-N 3.44Å; M143-A145 PolarHBondContact O-N 3.45Å | |||
| 144 | A | 50.6 | Low | 61.9 | Low | 98 Ų | 98 | 120.1 Ų | 120.1 | 81% | 0.81 | 65% | 0.654 | S | S | * | * | trans | -53.2 | 99.6 | -175 | 0 | 0 | 0 | 0 | 0 | 111.1 | R146 | A144-R146 PolarHBondContact O-N 3.48Š| ||
| 145 | A | 61.6 | Low | 63.8 | Low | 95 Ų | 95 | 118 Ų | 118 | 79% | 0.785 | 66% | 0.656 | S | S | * | * | trans | -58.1 | 105.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | M143 | M143-A145 PolarHBondContact O-N 3.45Š| ||
| 146 | R | 60.5 | Low | 65.3 | Low | 183 Ų | 183 | 115.4 Ų | 115.4 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 134.3 | 174 | -75.3 | 175.4 | 67.9 | 163.7 | 3 | 107.4 | A144 A148 | A144-R146 PolarHBondContact O-N 3.48Å; R146-A148 PolarHBondContact O-N 3.48Å |
| 147 | P | 62.3 | Low | 67.6 | Low | 89 Ų | 89 | 113.6 Ų | 113.6 | 58% | 0.578 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 117.9 | 178.5 | 19.2 | -29.3 | 0 | 0 | 0 | 109.3 | ||
| 148 | A | 79.1 | Confident | 69.4 | Low | 54 Ų | 54 | 105.1 Ų | 105.1 | 45% | 0.446 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -84.2 | 135.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | R146 | R146-A148 PolarHBondContact O-N 3.48Š|
| 149 | F | 85.4 | Confident | 71.5 | Confident | 39 Ų | 39 | 106.7 Ų | 106.7 | 17% | 0.171 | 60% | 0.599 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 112 | 176.4 | -65.1 | -85.1 | 0 | 0 | 0 | 109.2 | Y158 L161 L164 | F149-Y158 PolarHBondContact N-O 3.32Å; F149-Y158 PolarHBondContact O-N 3.17Å; F149-L161 HydrophobicContact CD1-CB 4.05Å; F149-L161 HydrophobicContact CD1-CD1 3.79Å; F149-L161 VanDerWaalsContact CD2-N 3.26Å; F149-L161 HydrophobicContact CE1-CB 3.72Å; F149-L161 HydrophobicContact CE1-CD1 3.87Å; F149-L161 HydrophobicContact CE1-CG 4.3Å; F149-L161 HydrophobicContact CE2-CB 4.24Å; F149-L161 VanDerWaalsContact CE2-N 3.28Å; F149-L161 HydrophobicContact CG-CB 4.45Å; F149-L161 HydrophobicContact CZ-CB 3.82Å; F149-L164 HydrophobicContact CB-CB 3.9Å; F149-L164 HydrophobicContact CB-CD2 3.72Å; F149-L164 HydrophobicContact CB-CG 4.38Å |
| 150 | L | 85.6 | Confident | 73.1 | Confident | 109 Ų | 109 | 99.8 Ų | 99.8 | 57% | 0.571 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 141.7 | -176.9 | -59.1 | 178.3 | 0 | 0 | 0 | 112.1 | E157 L164 | L150-E157 HydrophobicContact CD2-CB 3.85Å; L150-E157 HydrophobicContact CD2-CG 3.39Å; L150-L164 WeakPolarHBondContact O-CD2 3.46Å |
| 151 | C | 84.5 | Confident | 75 | Confident | 12 Ų | 12 | 95.6 Ų | 95.6 | 8% | 0.081 | 54% | 0.544 | C | S | . | . | trans | -83 | 126.1 | 171.4 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | H153 C154 K156 L164 H167 | C151-H153 PolarHBondContact O-N 3.47Å; C151-H153 PolarHBondContact SG-N 2.86Å; C151-H153 VanDerWaalsContact SG-N 3.4Å; C151-C154 WeakPolarHBondContact CB-O 3.14Å; C151-K156 PolarHBondContact N-O 2.98Å; C151-L164 HydrophobicContact CB-CD1 3.74Å; C151-H167 PolarHBondContact SG-CD2 3.38Å; C151-H167 PolarHBondContact SG-NE2 3.34Å | ||
| 152 | K | 84.3 | Confident | 76.7 | Confident | 153 Ų | 153 | 91.9 Ų | 91.9 | 67% | 0.665 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -11.5 | 175.7 | 65.6 | -177.6 | -179.6 | -179.8 | 0 | 115.2 | ||
| 153 | H | 82.8 | Confident | 78.3 | Confident | 104 Ų | 104 | 88.5 Ų | 88.5 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -13 | -177.1 | -62.4 | -67.2 | 0 | 0 | 0 | 113.2 | C151 H171 | C151-H153 PolarHBondContact O-N 3.47Å; C151-H153 PolarHBondContact SG-N 2.86Å; C151-H153 VanDerWaalsContact SG-N 3.4Å; H153-H171 HydrophobicContact CB-CB 4.37Å |
| 154 | C | 86.3 | Confident | 80.1 | Confident | 29 Ų | 29 | 79.8 Ų | 79.8 | 20% | 0.196 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -160.8 | 160.1 | 179.8 | 74.7 | 0 | 0 | 0 | 0 | 110.6 | C151 K156 H167 | C151-C154 WeakPolarHBondContact CB-O 3.14Å; C154-K156 PolarHBondContact O-N 3.3Å; C154-H167 VanDerWaalsContact SG-CE1 3.54Å; C154-H167 PolarHBondContact SG-NE2 3.34Å |
| 155 | P | 84.8 | Confident | 81.7 | Confident | 131 Ų | 131 | 79.2 Ų | 79.2 | 85% | 0.851 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -74.5 | 23.2 | -174 | 31.8 | -36.9 | 0 | 0 | 0 | 114.5 | ||
| 156 | K | 83.1 | Confident | 82.6 | Confident | 121 Ų | 121 | 79.3 Ų | 79.3 | 53% | 0.526 | 42% | 0.423 | S | S | . | . | trans | -87.1 | 139.4 | -178.9 | -68.2 | -175.6 | -179 | -178.6 | 0 | 111.5 | C151 C154 Y158 | C151-K156 PolarHBondContact N-O 2.98Å; C154-K156 PolarHBondContact O-N 3.3Å; K156-Y158 HydrophobicContact CB-CE2 3.79Å; K156-Y158 WeakPolarHBondContact CD-OH 3.49Å | ||
| 157 | E | 88.4 | Confident | 83.7 | Confident | 135 Ų | 135 | 71.6 Ų | 71.6 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 150.3 | -179.4 | -39.1 | -167.2 | 168.4 | 0 | 0 | 110.9 | L150 | L150-E157 HydrophobicContact CD2-CB 3.85Å; L150-E157 HydrophobicContact CD2-CG 3.39Å |
| 158 | Y | 85.4 | Confident | 84.7 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 18% | 0.184 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139.4 | -176.2 | -64.6 | -83.8 | 0 | 0 | 0 | 110.7 | F149 K156 S160 A163 L164 H167 | F149-Y158 PolarHBondContact N-O 3.32Å; F149-Y158 PolarHBondContact O-N 3.17Å; K156-Y158 HydrophobicContact CB-CE2 3.79Å; K156-Y158 WeakPolarHBondContact CD-OH 3.49Å; Y158-S160 PolarHBondContact O-N 3.38Å; Y158-A163 HydrophobicContact CD1-CB 3.64Å; Y158-A163 HydrophobicContact CG-CB 4.22Å; Y158-L164 HydrophobicContact CD2-CB 3.97Å; Y158-L164 HydrophobicContact CD2-CD1 3.77Å; Y158-L164 HydrophobicContact CD2-CG 4.49Å; Y158-L164 HydrophobicContact CE2-CD1 4.13Å; Y158-L164 HydrophobicContact CG-CB 4.15Å; Y158-H167 HydrophobicContact CE1-CB 3.92Å; Y158-H167 HydrophobicContact CE2-CB 3.73Å; Y158-H167 AromaticContact CE2-CD2 3.4Å; Y158-H167 WeakPolarHBondContact CE2-CD2 3.47Å; Y158-H167 AromaticContact CE2-CG 3.57Å; Y158-H167 AromaticContact CZ-CD2 3.68Å; Y158-H167 AromaticContact CZ-CG 3.35Å; Y158-H167 AromaticContact CZ-ND1 3.96Å; Y158-H167 WeakPolarHBondContact OH-CB 3.33Å; Y158-H167 PolarHBondContact OH-CD2 2.86Å; Y158-H167 PolarHBondContact OH-ND1 3.16Å |
| 159 | T | 85.9 | Confident | 84.6 | Confident | 99 Ų | 99 | 68.6 Ų | 68.6 | 61% | 0.607 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -78.2 | -3.6 | 176.3 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 160 | S | 86.3 | Confident | 84.1 | Confident | 49 Ų | 49 | 69.5 Ų | 69.5 | 34% | 0.343 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -147.9 | 145.2 | 178.4 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | Y158 G162 A163 L164 | Y158-S160 PolarHBondContact O-N 3.38Å; S160-G162 PolarHBondContact O-N 2.77Å; S160-A163 PolarHBondContact O-N 3.33Å; S160-A163 VanDerWaalsContact O-N 3.17Å; S160-A163 VanDerWaalsContact OG-CB 3.27Å; S160-A163 WeakPolarHBondContact OG-CB 3.44Å; S160-A163 PolarHBondContact OG-N 3.45Å; S160-L164 PolarHBondContact O-N 3.38Å; S160-L164 VanDerWaalsContact O-N 3.1Å |
| 161 | L | 85.6 | Confident | 83.8 | Confident | 48 Ų | 48 | 68 Ų | 68 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.8 | -37.7 | 174.8 | -176 | 61.7 | 0 | 0 | 0 | 112.2 | V128 F149 L164 K165 | V128-L161 HydrophobicContact CB-CD1 3.78Å; V128-L161 HydrophobicContact CG1-CD1 3.24Å; F149-L161 HydrophobicContact CD1-CB 4.05Å; F149-L161 HydrophobicContact CD1-CD1 3.79Å; F149-L161 VanDerWaalsContact CD2-N 3.26Å; F149-L161 HydrophobicContact CE1-CB 3.72Å; F149-L161 HydrophobicContact CE1-CD1 3.87Å; F149-L161 HydrophobicContact CE1-CG 4.3Å; F149-L161 HydrophobicContact CE2-CB 4.24Å; F149-L161 VanDerWaalsContact CE2-N 3.28Å; F149-L161 HydrophobicContact CG-CB 4.45Å; F149-L161 HydrophobicContact CZ-CB 3.82Å; L161-L164 PolarHBondContact O-N 3.05Å; L161-K165 HydrophobicContact CG-CD 4.22Å; L161-K165 WeakPolarHBondContact O-CB 3.36Å; L161-K165 WeakPolarHBondContact O-CG 3.41Å; L161-K165 PolarHBondContact O-N 2.89Å |
| 162 | G | 87.1 | Confident | 83.3 | Confident | 49 Ų | 49 | 71 Ų | 71 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S160 K165 M166 | S160-G162 PolarHBondContact O-N 2.77Å; G162-K165 PolarHBondContact O-N 3.11Å; G162-M166 WeakPolarHBondContact O-CB 3.37Å; G162-M166 PolarHBondContact O-N 3.09Å |
| 163 | A | 85.4 | Confident | 83 | Confident | 25 Ų | 25 | 67 Ų | 67 | 21% | 0.207 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.9 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y158 S160 M166 H167 | Y158-A163 HydrophobicContact CD1-CB 3.64Å; Y158-A163 HydrophobicContact CG-CB 4.22Å; S160-A163 PolarHBondContact O-N 3.33Å; S160-A163 VanDerWaalsContact O-N 3.17Å; S160-A163 VanDerWaalsContact OG-CB 3.27Å; S160-A163 WeakPolarHBondContact OG-CB 3.44Å; S160-A163 PolarHBondContact OG-N 3.45Å; A163-M166 PolarHBondContact O-N 3.3Å; A163-H167 WeakPolarHBondContact O-CB 3.48Å; A163-H167 PolarHBondContact O-N 3.31Å |
| 164 | L | 86.8 | Confident | 82.6 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 172.9 | 174.3 | 61.7 | 0 | 0 | 0 | 111.6 | V128 F149 L150 C151 Y158 S160 L161 M166 H167 I168 | V128-L164 HydrophobicContact CG1-CD2 4.1Å; F149-L164 HydrophobicContact CB-CB 3.9Å; F149-L164 HydrophobicContact CB-CD2 3.72Å; F149-L164 HydrophobicContact CB-CG 4.38Å; L150-L164 WeakPolarHBondContact O-CD2 3.46Å; C151-L164 HydrophobicContact CB-CD1 3.74Å; Y158-L164 HydrophobicContact CD2-CB 3.97Å; Y158-L164 HydrophobicContact CD2-CD1 3.77Å; Y158-L164 HydrophobicContact CD2-CG 4.49Å; Y158-L164 HydrophobicContact CE2-CD1 4.13Å; Y158-L164 HydrophobicContact CG-CB 4.15Å; S160-L164 PolarHBondContact O-N 3.38Å; S160-L164 VanDerWaalsContact O-N 3.1Å; L161-L164 PolarHBondContact O-N 3.05Å; L164-M166 VanDerWaalsContact C-N 3.28Å; L164-M166 PolarHBondContact O-N 3.49Å; L164-H167 CarbonylContact O-C 3.54Å; L164-H167 WeakPolarHBondContact O-CA 3.38Å; L164-H167 WeakPolarHBondContact O-CB 3.36Å; L164-H167 PolarHBondContact O-N 2.89Å; L164-I168 HydrophobicContact CD1-CD1 3.97Å; L164-I168 HydrophobicContact CD1-CG1 4.03Å; L164-I168 HydrophobicContact CD2-CD1 4.43Å; L164-I168 HydrophobicContact CG-CD1 3.87Å; L164-I168 HydrophobicContact CG-CG1 4.38Å; L164-I168 WeakPolarHBondContact O-CG1 3.47Å; L164-I168 PolarHBondContact O-N 3.43Å |
| 165 | K | 83.8 | Confident | 82.4 | Confident | 87 Ų | 87 | 63.3 Ų | 63.3 | 38% | 0.378 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.5 | -43.9 | 177.2 | -78.6 | 176.2 | 178.4 | 177.7 | 0 | 111.5 | V128 L161 G162 H167 I168 R169 | V128-K165 HydrophobicContact CG2-CD 4.44Å; V128-K165 HydrophobicContact CG2-CG 3.7Å; L161-K165 HydrophobicContact CG-CD 4.22Å; L161-K165 WeakPolarHBondContact O-CB 3.36Å; L161-K165 WeakPolarHBondContact O-CG 3.41Å; L161-K165 PolarHBondContact O-N 2.89Å; G162-K165 PolarHBondContact O-N 3.11Å; K165-H167 VanDerWaalsContact C-N 3.34Å; K165-I168 PolarHBondContact O-N 3.17Å; K165-R169 WeakPolarHBondContact O-CG 3.49Å |
| 166 | M | 81.4 | Confident | 82.1 | Confident | 97 Ų | 97 | 61 Ų | 61 | 48% | 0.478 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 176.6 | -177.9 | 171.9 | 63.3 | 0 | 0 | 112.1 | G162 A163 L164 R169 R186 | G162-M166 WeakPolarHBondContact O-CB 3.37Å; G162-M166 PolarHBondContact O-N 3.09Å; A163-M166 PolarHBondContact O-N 3.3Å; L164-M166 VanDerWaalsContact C-N 3.28Å; L164-M166 PolarHBondContact O-N 3.49Å; M166-R169 WeakPolarHBondContact O-CB 3.42Å; M166-R169 PolarHBondContact O-N 3.19Å; M166-R186 PolarHBondContact SD-NH2 2.84Å |
| 167 | H | 83.6 | Confident | 82 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 9% | 0.093 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | 176 | 167.2 | 61.1 | 0 | 0 | 0 | 112.5 | C151 C154 Y158 A163 L164 K165 R169 S170 H171 | C151-H167 PolarHBondContact SG-CD2 3.38Å; C151-H167 PolarHBondContact SG-NE2 3.34Å; C154-H167 VanDerWaalsContact SG-CE1 3.54Å; C154-H167 PolarHBondContact SG-NE2 3.34Å; Y158-H167 HydrophobicContact CE1-CB 3.92Å; Y158-H167 HydrophobicContact CE2-CB 3.73Å; Y158-H167 AromaticContact CE2-CD2 3.4Å; Y158-H167 WeakPolarHBondContact CE2-CD2 3.47Å; Y158-H167 AromaticContact CE2-CG 3.57Å; Y158-H167 AromaticContact CZ-CD2 3.68Å; Y158-H167 AromaticContact CZ-CG 3.35Å; Y158-H167 AromaticContact CZ-ND1 3.96Å; Y158-H167 WeakPolarHBondContact OH-CB 3.33Å; Y158-H167 PolarHBondContact OH-CD2 2.86Å; Y158-H167 PolarHBondContact OH-ND1 3.16Å; A163-H167 WeakPolarHBondContact O-CB 3.48Å; A163-H167 PolarHBondContact O-N 3.31Å; L164-H167 CarbonylContact O-C 3.54Å; L164-H167 WeakPolarHBondContact O-CA 3.38Å; L164-H167 WeakPolarHBondContact O-CB 3.36Å; L164-H167 PolarHBondContact O-N 2.89Å; K165-H167 VanDerWaalsContact C-N 3.34Å; H167-R169 PolarHBondContact O-N 3.31Å; H167-S170 WeakPolarHBondContact O-CB 3.34Å; H167-S170 PolarHBondContact O-N 3.5Å; H167-S170 PolarHBondContact O-OG 3.12Å; H167-H171 AromaticContact CE1-CE1 3.99Å; H167-H171 AromaticContact CE1-NE2 3.26Å; H167-H171 PolarHBondContact CE1-NE2 3.49Å; H167-H171 VanDerWaalsContact CE1-NE2 3.26Å; H167-H171 AromaticContact NE2-CD2 3.71Å; H167-H171 AromaticContact NE2-NE2 2.99Å; H167-H171 PolarHBondContact NE2-NE2 3.2Å |
| 168 | I | 82.3 | Confident | 81.5 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 9% | 0.087 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.2 | -29.7 | 179.9 | -69.2 | 165.1 | 0 | 0 | 0 | 111.8 | V128 L164 K165 S170 H171 T172 | V128-I168 HydrophobicContact CG2-CD1 4.22Å; L164-I168 HydrophobicContact CD1-CD1 3.97Å; L164-I168 HydrophobicContact CD1-CG1 4.03Å; L164-I168 HydrophobicContact CD2-CD1 4.43Å; L164-I168 HydrophobicContact CG-CD1 3.87Å; L164-I168 HydrophobicContact CG-CG1 4.38Å; L164-I168 WeakPolarHBondContact O-CG1 3.47Å; L164-I168 PolarHBondContact O-N 3.43Å; K165-I168 PolarHBondContact O-N 3.17Å; I168-S170 PolarHBondContact O-N 3.36Å; I168-H171 WeakPolarHBondContact O-CB 3.38Å; I168-H171 PolarHBondContact O-N 2.86Å; I168-T172 HydrophobicContact CG2-CG2 4.37Å; I168-T172 PolarHBondContact O-N 2.88Å; I168-T172 PolarHBondContact O-OG1 3.12Å |
| 169 | R | 77.3 | Confident | 81.1 | Confident | 63 Ų | 63 | 56 Ų | 56 | 24% | 0.238 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64 | -19.5 | 175.4 | -57.4 | 172 | 80.9 | 131.7 | 9.7 | 113.8 | K165 M166 H167 H171 L173 S185 | K165-R169 WeakPolarHBondContact O-CG 3.49Å; M166-R169 WeakPolarHBondContact O-CB 3.42Å; M166-R169 PolarHBondContact O-N 3.19Å; H167-R169 PolarHBondContact O-N 3.31Å; R169-H171 VanDerWaalsContact C-N 3.27Å; R169-L173 PolarHBondContact O-N 2.81Å; R169-L173 VanDerWaalsContact O-N 3.16Å; R169-S185 PolarHBondContact NE-O 2.92Å; R169-S185 WeakPolarHBondContact O-CA 3.4Å; R169-S185 WeakPolarHBondContact O-CB 3.44Å |
| 170 | S | 76.1 | Confident | 80.9 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 41% | 0.413 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -72.2 | -23.6 | 170.9 | 71.1 | 0 | 0 | 0 | 0 | 112.5 | H167 I168 | H167-S170 WeakPolarHBondContact O-CB 3.34Å; H167-S170 PolarHBondContact O-N 3.5Å; H167-S170 PolarHBondContact O-OG 3.12Å; I168-S170 PolarHBondContact O-N 3.36Å |
| 171 | H | 78.4 | Confident | 80.4 | Confident | 76 Ų | 76 | 54 Ų | 54 | 35% | 0.352 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -87.2 | -34.1 | 176.6 | -60.5 | -58.6 | 0 | 0 | 0 | 112.2 | H153 H167 I168 R169 | H153-H171 HydrophobicContact CB-CB 4.37Å; H167-H171 AromaticContact CE1-CE1 3.99Å; H167-H171 AromaticContact CE1-NE2 3.26Å; H167-H171 PolarHBondContact CE1-NE2 3.49Å; H167-H171 VanDerWaalsContact CE1-NE2 3.26Å; H167-H171 AromaticContact NE2-CD2 3.71Å; H167-H171 AromaticContact NE2-NE2 2.99Å; H167-H171 PolarHBondContact NE2-NE2 3.2Å; I168-H171 WeakPolarHBondContact O-CB 3.38Å; I168-H171 PolarHBondContact O-N 2.86Å; R169-H171 VanDerWaalsContact C-N 3.27Å |
| 172 | T | 74.1 | Confident | 80.1 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -96.8 | -10.2 | -174.1 | 58.2 | 0 | 0 | 0 | 0 | 115.1 | I168 P174 | I168-T172 HydrophobicContact CG2-CG2 4.37Å; I168-T172 PolarHBondContact O-N 2.88Å; I168-T172 PolarHBondContact O-OG1 3.12Å; T172-P174 VanDerWaalsContact C-N 3.32Å |
| 173 | L | 77.7 | Confident | 79.9 | Confident | 68 Ų | 68 | 57.6 Ų | 57.6 | 36% | 0.356 | 33% | 0.334 | S | S | . | . | trans | 30.3 | 59.6 | -179.9 | -58.8 | 180 | 0 | 0 | 0 | 114 | R169 C175 A183 F184 | R169-L173 PolarHBondContact O-N 2.81Å; R169-L173 VanDerWaalsContact O-N 3.16Å; L173-C175 PolarHBondContact O-N 3.46Å; L173-A183 HydrophobicContact CB-CB 3.7Å; L173-A183 HydrophobicContact CD1-CB 4Å; L173-A183 HydrophobicContact CG-CB 4.49Å; L173-F184 CarbonylContact C-O 3.59Å; L173-F184 VanDerWaalsContact C-O 3.23Å; L173-F184 WeakPolarHBondContact CA-O 3.19Å | ||
| 174 | P | 75 | Confident | 79.7 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 31% | 0.312 | 33% | 0.332 | S | S | . | . | trans | -71.7 | -1.5 | -162.6 | 29.9 | -37.5 | 0 | 0 | 0 | 114.5 | T172 | T172-P174 VanDerWaalsContact C-N 3.32Š| ||
| 175 | C | 81.6 | Confident | 79.5 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 102.1 | -175.7 | -57.7 | 0 | 0 | 0 | 0 | 109.5 | L173 A183 F184 L190 | L173-C175 PolarHBondContact O-N 3.46Å; C175-A183 CarbonylContact O-C 3.6Å; C175-F184 HydrophobicContact CB-CB 4.29Å; C175-F184 WeakPolarHBondContact CB-O 3.31Å; C175-F184 PolarHBondContact N-O 3Å; C175-F184 VanDerWaalsContact N-O 3.14Å; C175-F184 PolarHBondContact O-N 3.33Å; C175-L190 HydrophobicContact CB-CB 4.09Å; C175-L190 HydrophobicContact CB-CD2 3.79Å |
| 176 | V | 78.2 | Confident | 79.2 | Confident | 82 Ų | 82 | 59.7 Ų | 59.7 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 138.2 | -177.7 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | G181 K182 A183 | V176-G181 WeakPolarHBondContact CG1-O 3.44Å; V176-K182 CarbonylContact C-O 3.38Å; V176-A183 HydrophobicContact CG2-CB 4.06Å |
| 177 | C | 81.9 | Confident | 79.1 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | trans | -76.4 | 120.8 | 171.3 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | T179 C180 G181 K182 F184 L190 H193 | C177-T179 VanDerWaalsContact C-N 3.29Å; C177-T179 PolarHBondContact O-N 3.14Å; C177-C180 VanDerWaalsContact SG-SG 3.68Å; C177-G181 WeakPolarHBondContact O-CA 3.41Å; C177-G181 PolarHBondContact O-N 3.16Å; C177-K182 HydrophobicContact CB-CB 4.43Å; C177-K182 WeakPolarHBondContact CB-O 3.29Å; C177-K182 PolarHBondContact N-O 3.28Å; C177-F184 HydrophobicContact CB-CE2 4.34Å; C177-L190 HydrophobicContact CB-CD1 3.65Å; C177-H193 PolarHBondContact SG-NE2 2.89Å | ||
| 178 | T | 78.2 | Confident | 79 | Confident | 102 Ų | 102 | 63.5 Ų | 63.5 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -28.4 | 178.7 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 179 | T | 76.7 | Confident | 79 | Confident | 95 Ų | 95 | 65.5 Ų | 65.5 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -35.3 | -178.7 | -46 | 0 | 0 | 0 | 0 | 113.3 | C177 H197 | C177-T179 VanDerWaalsContact C-N 3.29Å; C177-T179 PolarHBondContact O-N 3.14Å; T179-H197 HydrophobicContact CG2-CB 4.44Å |
| 180 | C | 80.7 | Confident | 79.3 | Confident | 54 Ų | 54 | 63.1 Ų | 63.1 | 37% | 0.365 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.5 | 7.1 | -174.9 | 70.5 | 0 | 0 | 0 | 0 | 115.3 | C177 K182 H193 H197 | C177-C180 VanDerWaalsContact SG-SG 3.68Å; C180-K182 PolarHBondContact O-N 3.45Å; C180-K182 VanDerWaalsContact O-N 3.11Å; C180-H193 PolarHBondContact SG-NE2 3.06Å; C180-H197 PolarHBondContact SG-NE2 3.15Å |
| 181 | G | 77.1 | Confident | 79.7 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 55% | 0.546 | 34% | 0.344 | S | S | . | . | trans | 70.3 | 1.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | V176 C177 A183 | V176-G181 WeakPolarHBondContact CG1-O 3.44Å; C177-G181 WeakPolarHBondContact O-CA 3.41Å; C177-G181 PolarHBondContact O-N 3.16Å; G181-A183 PolarHBondContact O-N 3.21Å | ||
| 182 | K | 79.4 | Confident | 79.9 | Confident | 129 Ų | 129 | 59.5 Ų | 59.5 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | trans | -68.2 | 129.7 | -178.8 | -73.7 | -179.5 | -177.9 | 179 | 0 | 111.6 | V176 C177 C180 F184 | V176-K182 CarbonylContact C-O 3.38Å; C177-K182 HydrophobicContact CB-CB 4.43Å; C177-K182 WeakPolarHBondContact CB-O 3.29Å; C177-K182 PolarHBondContact N-O 3.28Å; C180-K182 PolarHBondContact O-N 3.45Å; C180-K182 VanDerWaalsContact O-N 3.11Å; K182-F184 HydrophobicContact CB-CE2 3.84Å; K182-F184 HydrophobicContact CB-CZ 4.08Å; K182-F184 WeakPolarHBondContact O-CD2 3.41Å; K182-F184 VanDerWaalsContact O-CE2 3.29Å; K182-F184 WeakPolarHBondContact O-CE2 3.43Å | ||
| 183 | A | 82.1 | Confident | 80.4 | Confident | 44 Ų | 44 | 57 Ų | 57 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L173 C175 V176 G181 | L173-A183 HydrophobicContact CB-CB 3.7Å; L173-A183 HydrophobicContact CD1-CB 4Å; L173-A183 HydrophobicContact CG-CB 4.49Å; C175-A183 CarbonylContact O-C 3.6Å; V176-A183 HydrophobicContact CG2-CB 4.06Å; G181-A183 PolarHBondContact O-N 3.21Å |
| 184 | F | 81.8 | Confident | 80.7 | Confident | 39 Ų | 39 | 55.4 Ų | 55.4 | 17% | 0.171 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144.2 | -176 | -61.4 | -89.5 | 0 | 0 | 0 | 110.8 | L173 C175 C177 K182 R186 L189 L190 H193 | L173-F184 CarbonylContact C-O 3.59Å; L173-F184 VanDerWaalsContact C-O 3.23Å; L173-F184 WeakPolarHBondContact CA-O 3.19Å; C175-F184 HydrophobicContact CB-CB 4.29Å; C175-F184 WeakPolarHBondContact CB-O 3.31Å; C175-F184 PolarHBondContact N-O 3Å; C175-F184 VanDerWaalsContact N-O 3.14Å; C175-F184 PolarHBondContact O-N 3.33Å; C177-F184 HydrophobicContact CB-CE2 4.34Å; K182-F184 HydrophobicContact CB-CE2 3.84Å; K182-F184 HydrophobicContact CB-CZ 4.08Å; K182-F184 WeakPolarHBondContact O-CD2 3.41Å; K182-F184 VanDerWaalsContact O-CE2 3.29Å; K182-F184 WeakPolarHBondContact O-CE2 3.43Å; F184-R186 VanDerWaalsContact C-N 3.29Å; F184-R186 PolarHBondContact O-N 3.11Å; F184-L189 HydrophobicContact CB-CB 4.19Å; F184-L189 HydrophobicContact CD1-CB 3.8Å; F184-L189 HydrophobicContact CG-CB 4.29Å; F184-L190 HydrophobicContact CB-CB 4.17Å; F184-L190 HydrophobicContact CD2-CB 3.84Å; F184-L190 HydrophobicContact CD2-CD1 3.66Å; F184-L190 HydrophobicContact CD2-CG 4.34Å; F184-L190 HydrophobicContact CE2-CD1 3.83Å; F184-L190 HydrophobicContact CG-CB 4.11Å; F184-H193 HydrophobicContact CE1-CB 3.83Å; F184-H193 HydrophobicContact CE2-CB 3.9Å; F184-H193 AromaticContact CE2-CD2 3.31Å; F184-H193 WeakPolarHBondContact CE2-CD2 3.41Å; F184-H193 AromaticContact CE2-CG 3.64Å; F184-H193 HydrophobicContact CZ-CB 3.35Å; F184-H193 AromaticContact CZ-CD2 3.38Å; F184-H193 WeakPolarHBondContact CZ-CD2 3.34Å; F184-H193 AromaticContact CZ-CG 3.18Å; F184-H193 AromaticContact CZ-ND1 3.82Å |
| 185 | S | 81.5 | Confident | 81.2 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -73.1 | -22.8 | 177.8 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | R169 | R169-S185 PolarHBondContact NE-O 2.92Å; R169-S185 WeakPolarHBondContact O-CA 3.4Å; R169-S185 WeakPolarHBondContact O-CB 3.44Å |
| 186 | R | 78.9 | Confident | 81.3 | Confident | 95 Ų | 95 | 59.8 Ų | 59.8 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -135.4 | 141.1 | -171.9 | -71.2 | 162.5 | 155.3 | -175.3 | -1.7 | 111.7 | M166 F184 W188 L189 L190 | M166-R186 PolarHBondContact SD-NH2 2.84Å; F184-R186 VanDerWaalsContact C-N 3.29Å; F184-R186 PolarHBondContact O-N 3.11Å; R186-W188 VanDerWaalsContact C-N 3.33Å; R186-W188 PolarHBondContact O-N 3.47Å; R186-L189 HydrophobicContact CB-CD1 3.96Å; R186-L189 HydrophobicContact CB-CG 4.15Å; R186-L189 WeakPolarHBondContact O-CB 3.39Å; R186-L189 PolarHBondContact O-N 2.8Å; R186-L189 VanDerWaalsContact O-N 3.14Å; R186-L190 PolarHBondContact O-N 2.99Å |
| 187 | P | 79.2 | Confident | 81.5 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 24% | 0.24 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.6 | -38.3 | 179.2 | -28.4 | 35.8 | 0 | 0 | 0 | 114.8 | C121 L189 L190 R191 | C121-P187 HydrophobicContact CB-CG 4.33Å; C121-P187 WeakPolarHBondContact SG-CB 3.44Å; C121-P187 WeakPolarHBondContact SG-CG 3.48Å; P187-L189 VanDerWaalsContact C-N 3.29Å; P187-L189 PolarHBondContact O-N 3.2Å; P187-L190 PolarHBondContact O-N 3.04Å; P187-R191 PolarHBondContact O-N 3.26Å |
| 188 | W | 80.3 | Confident | 81.5 | Confident | 159 Ų | 159 | 63.5 Ų | 63.5 | 60% | 0.602 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.5 | -27.6 | -178.8 | 67.5 | -98.8 | 0 | 0 | 0 | 112.4 | R186 G192 | R186-W188 VanDerWaalsContact C-N 3.33Å; R186-W188 PolarHBondContact O-N 3.47Å; W188-G192 PolarHBondContact O-N 3.22Å |
| 189 | L | 83.1 | Confident | 81.8 | Confident | 59 Ų | 59 | 61.2 Ų | 61.2 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.7 | -46.7 | 172.9 | -70.9 | 171.7 | 0 | 0 | 0 | 110.3 | F184 R186 P187 R191 G192 H193 | F184-L189 HydrophobicContact CB-CB 4.19Å; F184-L189 HydrophobicContact CD1-CB 3.8Å; F184-L189 HydrophobicContact CG-CB 4.29Å; R186-L189 HydrophobicContact CB-CD1 3.96Å; R186-L189 HydrophobicContact CB-CG 4.15Å; R186-L189 WeakPolarHBondContact O-CB 3.39Å; R186-L189 PolarHBondContact O-N 2.8Å; R186-L189 VanDerWaalsContact O-N 3.14Å; P187-L189 VanDerWaalsContact C-N 3.29Å; P187-L189 PolarHBondContact O-N 3.2Å; L189-R191 VanDerWaalsContact C-N 3.29Å; L189-R191 PolarHBondContact O-N 2.86Å; L189-G192 PolarHBondContact O-N 3.22Å; L189-H193 WeakPolarHBondContact O-CB 3.39Å; L189-H193 PolarHBondContact O-N 3.44Å |
| 190 | L | 84.4 | Confident | 82.1 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 174.3 | 173.2 | 60.1 | 0 | 0 | 0 | 111.1 | C175 C177 F184 R186 P187 H193 I194 | C175-L190 HydrophobicContact CB-CB 4.09Å; C175-L190 HydrophobicContact CB-CD2 3.79Å; C177-L190 HydrophobicContact CB-CD1 3.65Å; F184-L190 HydrophobicContact CB-CB 4.17Å; F184-L190 HydrophobicContact CD2-CB 3.84Å; F184-L190 HydrophobicContact CD2-CD1 3.66Å; F184-L190 HydrophobicContact CD2-CG 4.34Å; F184-L190 HydrophobicContact CE2-CD1 3.83Å; F184-L190 HydrophobicContact CG-CB 4.11Å; R186-L190 PolarHBondContact O-N 2.99Å; P187-L190 PolarHBondContact O-N 3.04Å; L190-H193 CarbonylContact O-C 3.52Å; L190-H193 WeakPolarHBondContact O-CB 3.38Å; L190-H193 PolarHBondContact O-N 3.07Å; L190-I194 HydrophobicContact CD1-CD1 3.91Å; L190-I194 HydrophobicContact CD1-CG1 4.13Å; L190-I194 HydrophobicContact CG-CD1 3.89Å; L190-I194 WeakPolarHBondContact O-CG1 3.49Å; L190-I194 PolarHBondContact O-N 3.42Å |
| 191 | R | 82.8 | Confident | 82.3 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 178.5 | -167.1 | 177.1 | -56 | -165.6 | -2.5 | 113.1 | Q117 P187 L189 H193 I194 R195 | Q117-R191 PolarHBondContact O-NE 3.34Å; Q117-R191 PolarHBondContact O-NH1 3.45Å; Q117-R191 PolarHBondContact O-NH2 3.4Å; P187-R191 PolarHBondContact O-N 3.26Å; L189-R191 VanDerWaalsContact C-N 3.29Å; L189-R191 PolarHBondContact O-N 2.86Å; R191-H193 VanDerWaalsContact C-N 3.27Å; R191-H193 PolarHBondContact O-N 3.03Å; R191-I194 PolarHBondContact O-N 3.06Å; R191-R195 PolarHBondContact O-N 3.1Å |
| 192 | G | 83.4 | Confident | 82.7 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 7% | 0.072 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.2 | -40 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | W188 L189 R195 | W188-G192 PolarHBondContact O-N 3.22Å; L189-G192 PolarHBondContact O-N 3.22Å; G192-R195 WeakPolarHBondContact O-CB 3.48Å; G192-R195 PolarHBondContact O-N 3.33Å |
| 193 | H | 85.1 | Confident | 83.1 | Confident | 24 Ų | 24 | 59.1 Ų | 59.1 | 11% | 0.111 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 175.3 | 168.1 | 62.6 | 0 | 0 | 0 | 113.3 | C177 C180 F184 L189 L190 R191 R195 T196 H197 | C177-H193 PolarHBondContact SG-NE2 2.89Å; C180-H193 PolarHBondContact SG-NE2 3.06Å; F184-H193 HydrophobicContact CE1-CB 3.83Å; F184-H193 HydrophobicContact CE2-CB 3.9Å; F184-H193 AromaticContact CE2-CD2 3.31Å; F184-H193 WeakPolarHBondContact CE2-CD2 3.41Å; F184-H193 AromaticContact CE2-CG 3.64Å; F184-H193 HydrophobicContact CZ-CB 3.35Å; F184-H193 AromaticContact CZ-CD2 3.38Å; F184-H193 WeakPolarHBondContact CZ-CD2 3.34Å; F184-H193 AromaticContact CZ-CG 3.18Å; F184-H193 AromaticContact CZ-ND1 3.82Å; L189-H193 WeakPolarHBondContact O-CB 3.39Å; L189-H193 PolarHBondContact O-N 3.44Å; L190-H193 CarbonylContact O-C 3.52Å; L190-H193 WeakPolarHBondContact O-CB 3.38Å; L190-H193 PolarHBondContact O-N 3.07Å; R191-H193 VanDerWaalsContact C-N 3.27Å; R191-H193 PolarHBondContact O-N 3.03Å; H193-R195 PolarHBondContact O-N 2.78Å; H193-T196 PolarHBondContact ND1-OG1 2.59Å; H193-T196 WeakPolarHBondContact O-CA 3.39Å; H193-T196 VanDerWaalsContact O-CB 3.27Å; H193-T196 WeakPolarHBondContact O-CB 3.49Å; H193-T196 WeakPolarHBondContact O-CG2 3.32Å; H193-T196 PolarHBondContact O-N 3.01Å; H193-T196 PolarHBondContact O-OG1 2.84Å; H193-H197 AromaticContact CE1-NE2 3.49Å; H193-H197 PolarHBondContact CE1-NE2 3.48Å; H193-H197 AromaticContact NE2-CD2 3.89Å; H193-H197 AromaticContact NE2-NE2 3.3Å; H193-H197 PolarHBondContact NE2-NE2 2.81Å |
| 194 | I | 82.8 | Confident | 83.3 | Confident | 35 Ų | 35 | 59.9 Ų | 59.9 | 18% | 0.179 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.6 | -30 | 179 | -74 | 163.2 | 0 | 0 | 0 | 112 | M119 L190 R191 T196 H197 T198 | M119-I194 HydrophobicContact CE-CD1 3.18Å; L190-I194 HydrophobicContact CD1-CD1 3.91Å; L190-I194 HydrophobicContact CD1-CG1 4.13Å; L190-I194 HydrophobicContact CG-CD1 3.89Å; L190-I194 WeakPolarHBondContact O-CG1 3.49Å; L190-I194 PolarHBondContact O-N 3.42Å; R191-I194 PolarHBondContact O-N 3.06Å; I194-T196 PolarHBondContact O-N 2.94Å; I194-T196 VanDerWaalsContact O-N 3.12Å; I194-H197 WeakPolarHBondContact O-CA 3.38Å; I194-H197 WeakPolarHBondContact O-CB 3.4Å; I194-H197 PolarHBondContact O-N 3.46Å; I194-T198 HydrophobicContact CG2-CG2 4.22Å; I194-T198 PolarHBondContact O-N 2.76Å; I194-T198 VanDerWaalsContact O-N 3.09Å |
| 195 | R | 85.6 | Confident | 83.6 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 19% | 0.185 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -20.2 | 172.3 | -61.1 | -179.7 | -175 | 127.2 | 5.3 | 113.8 | R191 G192 H193 H197 T198 G199 E200 A213 D214 | R191-R195 PolarHBondContact O-N 3.1Å; G192-R195 WeakPolarHBondContact O-CB 3.48Å; G192-R195 PolarHBondContact O-N 3.33Å; H193-R195 PolarHBondContact O-N 2.78Å; R195-H197 VanDerWaalsContact C-N 3.28Å; R195-T198 WeakPolarHBondContact CA-OG1 3.41Å; R195-G199 WeakPolarHBondContact O-CA 3.43Å; R195-G199 PolarHBondContact O-N 3.15Å; R195-E200 HydrophobicContact CG-CB 4.27Å; R195-A213 HydrophobicContact CB-CB 4.03Å; R195-A213 WeakPolarHBondContact CD-O 3.4Å; R195-A213 PolarHBondContact NH1-O 2.91Å; R195-D214 IonicContact NH1-OD1 3.46Å; R195-D214 PolarHBondContact NH1-OD1 2.89Å |
| 196 | T | 84.2 | Confident | 83.9 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 60% | 0.595 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -74.3 | -21.5 | 173 | 71.1 | 0 | 0 | 0 | 0 | 112.7 | H193 I194 | H193-T196 PolarHBondContact ND1-OG1 2.59Å; H193-T196 WeakPolarHBondContact O-CA 3.39Å; H193-T196 VanDerWaalsContact O-CB 3.27Å; H193-T196 WeakPolarHBondContact O-CB 3.49Å; H193-T196 WeakPolarHBondContact O-CG2 3.32Å; H193-T196 PolarHBondContact O-N 3.01Å; H193-T196 PolarHBondContact O-OG1 2.84Å; I194-T196 PolarHBondContact O-N 2.94Å; I194-T196 VanDerWaalsContact O-N 3.12Å |
| 197 | H | 81.8 | Confident | 84.3 | Confident | 80 Ų | 80 | 61.9 Ų | 61.9 | 37% | 0.37 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -87.6 | -42.1 | 172.4 | -65.4 | -58 | 0 | 0 | 0 | 111.8 | T179 C180 H193 I194 R195 | T179-H197 HydrophobicContact CG2-CB 4.44Å; C180-H197 PolarHBondContact SG-NE2 3.15Å; H193-H197 AromaticContact CE1-NE2 3.49Å; H193-H197 PolarHBondContact CE1-NE2 3.48Å; H193-H197 AromaticContact NE2-CD2 3.89Å; H193-H197 AromaticContact NE2-NE2 3.3Å; H193-H197 PolarHBondContact NE2-NE2 2.81Å; I194-H197 WeakPolarHBondContact O-CA 3.38Å; I194-H197 WeakPolarHBondContact O-CB 3.4Å; I194-H197 PolarHBondContact O-N 3.46Å; R195-H197 VanDerWaalsContact C-N 3.28Å |
| 198 | T | 83.3 | Confident | 84.7 | Confident | 81 Ų | 81 | 62 Ų | 62 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -83.5 | -18.2 | -177.4 | 63 | 0 | 0 | 0 | 0 | 113.7 | I194 R195 E200 | I194-T198 HydrophobicContact CG2-CG2 4.22Å; I194-T198 PolarHBondContact O-N 2.76Å; I194-T198 VanDerWaalsContact O-N 3.09Å; R195-T198 WeakPolarHBondContact CA-OG1 3.41Å; T198-E200 PolarHBondContact O-N 3.15Å; T198-E200 WeakPolarHBondContact OG1-CG 3.32Å; T198-E200 PolarHBondContact OG1-N 3.18Å |
| 199 | G | 83.2 | Confident | 85 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 56% | 0.557 | 34% | 0.339 | S | S | * | . | trans | 74.5 | 4.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R195 R201 | R195-G199 WeakPolarHBondContact O-CA 3.43Å; R195-G199 PolarHBondContact O-N 3.15Å; G199-R201 PolarHBondContact O-N 3.35Å | ||
| 200 | E | 83.9 | Confident | 85.2 | Confident | 82 Ų | 82 | 67.6 Ų | 67.6 | 38% | 0.383 | 35% | 0.353 | S | S | . | . | trans | -60.8 | 129.6 | -179.9 | -75.7 | -177.4 | -175.7 | 0 | 0 | 112.3 | Q117 R195 T198 P202 | Q117-E200 PolarHBondContact NE2-OE1 3.29Å; R195-E200 HydrophobicContact CG-CB 4.27Å; T198-E200 PolarHBondContact O-N 3.15Å; T198-E200 WeakPolarHBondContact OG1-CG 3.32Å; T198-E200 PolarHBondContact OG1-N 3.18Å; E200-P202 WeakPolarHBondContact O-CD 3.27Å | ||
| 201 | R | 85.2 | Confident | 85.4 | Confident | 166 Ų | 166 | 68.1 Ų | 68.1 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | trans | -126.3 | 74.5 | 179.3 | -72.4 | 176.3 | 145.4 | 172.1 | -4.4 | 110.9 | G199 F203 A211 F212 | G199-R201 PolarHBondContact O-N 3.35Å; R201-F203 PolarHBondContact O-N 3.37Å; R201-F203 VanDerWaalsContact O-N 3.17Å; R201-A211 HydrophobicContact CB-CB 3.62Å; R201-A211 VanDerWaalsContact CD-O 3.24Å; R201-A211 WeakPolarHBondContact CD-O 3.47Å; R201-A211 PolarHBondContact NE-O 3.21Å; R201-A211 VanDerWaalsContact NE-O 3.15Å; R201-F212 CarbonylContact C-O 3.6Å; R201-F212 WeakPolarHBondContact CA-O 3.27Å | ||
| 202 | P | 85.1 | Confident | 85.5 | Confident | 25 Ų | 25 | 67.3 Ų | 67.3 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | trans | -73.8 | -4.4 | -172.4 | 29.4 | -35.4 | 0 | 0 | 0 | 114.4 | A114 E200 | A114-P202 HydrophobicContact CB-CB 3.67Å; E200-P202 WeakPolarHBondContact O-CD 3.27Å | ||
| 203 | F | 86.8 | Confident | 85.5 | Confident | 14 Ų | 14 | 68 Ų | 68 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 95.3 | -176.8 | -54.1 | -68 | 0 | 0 | 0 | 110.8 | Y113 R201 A211 F212 A213 D214 R215 L218 | Y113-F203 HydrophobicContact CD1-CD1 4.07Å; Y113-F203 AromaticContact CD1-CE1 3.72Å; Y113-F203 HydrophobicContact CD1-CE1 3.72Å; Y113-F203 HydrophobicContact CE1-CD1 4.24Å; Y113-F203 HydrophobicContact CE1-CE1 4.02Å; R201-F203 PolarHBondContact O-N 3.37Å; R201-F203 VanDerWaalsContact O-N 3.17Å; F203-A211 CarbonylContact O-C 3.59Å; F203-A211 WeakPolarHBondContact O-CA 3.45Å; F203-F212 HydrophobicContact CB-CB 4.41Å; F203-F212 WeakPolarHBondContact CB-O 3.48Å; F203-F212 WeakPolarHBondContact CD2-O 3.49Å; F203-F212 PolarHBondContact N-O 2.86Å; F203-F212 VanDerWaalsContact N-O 3.12Å; F203-F212 PolarHBondContact O-N 3.43Å; F203-A213 WeakPolarHBondContact CE2-O 3.34Å; F203-D214 VanDerWaalsContact CD2-C 3.48Å; F203-R215 HydrophobicContact CD1-CG 3.67Å; F203-R215 HydrophobicContact CD2-CG 4.28Å; F203-R215 HydrophobicContact CE1-CG 3.3Å; F203-R215 HydrophobicContact CE2-CG 3.96Å; F203-R215 HydrophobicContact CG-CG 4.16Å; F203-R215 HydrophobicContact CZ-CG 3.47Å; F203-R215 VanDerWaalsContact CZ-CG 3.47Å; F203-L218 HydrophobicContact CB-CB 4.18Å; F203-L218 HydrophobicContact CB-CD2 3.86Å |
| 204 | S | 87.6 | Confident | 85.4 | Confident | 60 Ų | 60 | 69.6 Ų | 69.6 | 42% | 0.42 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 146.6 | 178.9 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 205 | C | 88.3 | Confident | 85.5 | Confident | 10 Ų | 10 | 73.1 Ų | 73.1 | 7% | 0.068 | 38% | 0.382 | C | S | . | . | trans | -77.4 | 132.6 | 169.9 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | H207 C208 R210 L218 H221 H225 | C205-H207 VanDerWaalsContact C-N 3.27Å; C205-H207 PolarHBondContact O-N 3.04Å; C205-H207 PolarHBondContact SG-N 2.93Å; C205-C208 WeakPolarHBondContact CB-O 3.24Å; C205-C208 VanDerWaalsContact SG-SG 3.69Å; C205-R210 WeakPolarHBondContact CB-O 3.37Å; C205-R210 PolarHBondContact N-O 3.27Å; C205-L218 HydrophobicContact CB-CD1 4.11Å; C205-H221 PolarHBondContact SG-NE2 3.33Å; C205-H225 PolarHBondContact SG-NE2 3.05Å; C205-H225 VanDerWaalsContact SG-NE2 3.42Å | ||
| 206 | P | 87 | Confident | 85.4 | Confident | 72 Ų | 72 | 75 Ų | 75 | 47% | 0.468 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -74.3 | -18.3 | 175.5 | 30.5 | -35 | 0 | 0 | 0 | 112.8 | P109 L222 | P109-P206 HydrophobicContact CB-CB 4.24Å; P109-P206 HydrophobicContact CB-CG 3.79Å; P206-L222 HydrophobicContact CG-CD2 4.33Å |
| 207 | H | 86.5 | Confident | 85.5 | Confident | 122 Ų | 122 | 74.3 Ų | 74.3 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -101.3 | -8.7 | -176.2 | -55.7 | -60.5 | 0 | 0 | 0 | 113.6 | C205 | C205-H207 VanDerWaalsContact C-N 3.27Å; C205-H207 PolarHBondContact O-N 3.04Å; C205-H207 PolarHBondContact SG-N 2.93Å |
| 208 | C | 88.3 | Confident | 85.8 | Confident | 40 Ų | 40 | 70.7 Ų | 70.7 | 27% | 0.27 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -159 | 168.1 | 175.5 | 69.5 | 0 | 0 | 0 | 0 | 112.1 | C205 R210 H221 | C205-C208 WeakPolarHBondContact CB-O 3.24Å; C205-C208 VanDerWaalsContact SG-SG 3.69Å; C208-R210 PolarHBondContact O-N 2.83Å; C208-H221 PolarHBondContact SG-NE2 3.04Å |
| 209 | N | 87.1 | Confident | 85.9 | Confident | 177 Ų | 177 | 75.9 Ų | 75.9 | 95% | 0.947 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -74.2 | 18.1 | -177.5 | -62.2 | -26.2 | 0 | 0 | 0 | 114.7 | ||
| 210 | R | 86.6 | Confident | 86 | Confident | 159 Ų | 159 | 74.2 Ų | 74.2 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | trans | -86.7 | 131.8 | 178.2 | -76 | -176 | 165.7 | 177.2 | -1.1 | 111.2 | C205 C208 F212 | C205-R210 WeakPolarHBondContact CB-O 3.37Å; C205-R210 PolarHBondContact N-O 3.27Å; C208-R210 PolarHBondContact O-N 2.83Å; R210-F212 HydrophobicContact CB-CE2 3.85Å; R210-F212 HydrophobicContact CB-CZ 3.98Å | ||
| 211 | A | 88.1 | Confident | 86.1 | Confident | 24 Ų | 24 | 71 Ų | 71 | 20% | 0.198 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 149.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R201 F203 | R201-A211 HydrophobicContact CB-CB 3.62Å; R201-A211 VanDerWaalsContact CD-O 3.24Å; R201-A211 WeakPolarHBondContact CD-O 3.47Å; R201-A211 PolarHBondContact NE-O 3.21Å; R201-A211 VanDerWaalsContact NE-O 3.15Å; F203-A211 CarbonylContact O-C 3.59Å; F203-A211 WeakPolarHBondContact O-CA 3.45Å |
| 212 | F | 85.5 | Confident | 86.1 | Confident | 36 Ų | 36 | 65.2 Ų | 65.2 | 16% | 0.158 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.2 | -172.6 | -59.4 | -90.8 | 0 | 0 | 0 | 110.9 | R201 F203 R210 D214 N217 L218 H221 | R201-F212 CarbonylContact C-O 3.6Å; R201-F212 WeakPolarHBondContact CA-O 3.27Å; F203-F212 HydrophobicContact CB-CB 4.41Å; F203-F212 WeakPolarHBondContact CB-O 3.48Å; F203-F212 WeakPolarHBondContact CD2-O 3.49Å; F203-F212 PolarHBondContact N-O 2.86Å; F203-F212 VanDerWaalsContact N-O 3.12Å; F203-F212 PolarHBondContact O-N 3.43Å; R210-F212 HydrophobicContact CB-CE2 3.85Å; R210-F212 HydrophobicContact CB-CZ 3.98Å; F212-D214 VanDerWaalsContact C-N 3.31Å; F212-N217 HydrophobicContact CB-CB 4.31Å; F212-N217 HydrophobicContact CD1-CB 3.88Å; F212-N217 HydrophobicContact CG-CB 4.37Å; F212-L218 HydrophobicContact CB-CB 4.3Å; F212-L218 HydrophobicContact CD2-CB 4Å; F212-L218 HydrophobicContact CD2-CD1 3.82Å; F212-L218 HydrophobicContact CE2-CD1 4.05Å; F212-L218 HydrophobicContact CG-CB 4.29Å; F212-H221 HydrophobicContact CE1-CB 3.97Å; F212-H221 HydrophobicContact CE2-CB 3.89Å; F212-H221 AromaticContact CE2-CD2 3.24Å; F212-H221 WeakPolarHBondContact CE2-CD2 3.45Å; F212-H221 AromaticContact CE2-CG 3.69Å; F212-H221 HydrophobicContact CZ-CB 3.41Å; F212-H221 VanDerWaalsContact CZ-CB 3.41Å; F212-H221 AromaticContact CZ-CD2 3.34Å; F212-H221 WeakPolarHBondContact CZ-CD2 3.24Å; F212-H221 AromaticContact CZ-CG 3.3Å |
| 213 | A | 83.6 | Confident | 86 | Confident | 21 Ų | 21 | 67 Ų | 67 | 17% | 0.174 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -74.6 | -22.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R195 F203 | R195-A213 HydrophobicContact CB-CB 4.03Å; R195-A213 WeakPolarHBondContact CD-O 3.4Å; R195-A213 PolarHBondContact NH1-O 2.91Å; F203-A213 WeakPolarHBondContact CE2-O 3.34Å |
| 214 | D | 83.1 | Confident | 85.8 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 31% | 0.31 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -135.5 | 143.4 | -175.4 | -70.1 | -39.2 | 0 | 0 | 0 | 113.1 | R195 F203 F212 S216 N217 L218 | R195-D214 IonicContact NH1-OD1 3.46Å; R195-D214 PolarHBondContact NH1-OD1 2.89Å; F203-D214 VanDerWaalsContact CD2-C 3.48Å; F212-D214 VanDerWaalsContact C-N 3.31Å; D214-S216 VanDerWaalsContact C-N 3.32Å; D214-S216 PolarHBondContact O-N 3.24Å; D214-N217 PolarHBondContact O-N 3.31Å; D214-N217 VanDerWaalsContact O-N 3.15Å; D214-L218 PolarHBondContact O-N 3.31Å; D214-L218 VanDerWaalsContact O-N 3.15Å |
| 215 | R | 84.1 | Confident | 85.5 | Confident | 108 Ų | 108 | 70.8 Ų | 70.8 | 41% | 0.408 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.2 | -39.2 | 178.2 | -69.8 | -174.5 | 175.9 | 148.2 | -7 | 113.3 | F203 N217 L218 R219 | F203-R215 HydrophobicContact CD1-CG 3.67Å; F203-R215 HydrophobicContact CD2-CG 4.28Å; F203-R215 HydrophobicContact CE1-CG 3.3Å; F203-R215 HydrophobicContact CE2-CG 3.96Å; F203-R215 HydrophobicContact CG-CG 4.16Å; F203-R215 HydrophobicContact CZ-CG 3.47Å; F203-R215 VanDerWaalsContact CZ-CG 3.47Å; R215-N217 PolarHBondContact O-N 3.47Å; R215-L218 PolarHBondContact O-N 3.42Å; R215-R219 PolarHBondContact O-N 3.3Å |
| 216 | S | 84.4 | Confident | 84.7 | Confident | 90 Ų | 90 | 73.3 Ų | 73.3 | 63% | 0.629 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.6 | -37.5 | 179.6 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | D214 A220 | D214-S216 VanDerWaalsContact C-N 3.32Å; D214-S216 PolarHBondContact O-N 3.24Å; S216-A220 VanDerWaalsContact O-CB 3.24Å; S216-A220 WeakPolarHBondContact O-CB 3.24Å; S216-A220 PolarHBondContact O-N 3.39Å |
| 217 | N | 85.5 | Confident | 83.8 | Confident | 81 Ų | 81 | 77.9 Ų | 77.9 | 43% | 0.433 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72 | -40.7 | 177.6 | -68.4 | -13.6 | 0 | 0 | 0 | 111.4 | F212 D214 R215 A220 H221 | F212-N217 HydrophobicContact CB-CB 4.31Å; F212-N217 HydrophobicContact CD1-CB 3.88Å; F212-N217 HydrophobicContact CG-CB 4.37Å; D214-N217 PolarHBondContact O-N 3.31Å; D214-N217 VanDerWaalsContact O-N 3.15Å; R215-N217 PolarHBondContact O-N 3.47Å; N217-A220 PolarHBondContact O-N 2.84Å; N217-H221 WeakPolarHBondContact O-CB 3.38Å; N217-H221 PolarHBondContact O-N 3.46Å |
| 218 | L | 88.2 | Confident | 82.8 | Confident | 4 Ų | 4 | 75.1 Ų | 75.1 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.1 | -50.6 | 171.6 | 174.2 | 62.2 | 0 | 0 | 0 | 111 | I111 F203 C205 F212 D214 R215 A220 H221 L222 | I111-L218 HydrophobicContact CG2-CD2 4.23Å; F203-L218 HydrophobicContact CB-CB 4.18Å; F203-L218 HydrophobicContact CB-CD2 3.86Å; C205-L218 HydrophobicContact CB-CD1 4.11Å; F212-L218 HydrophobicContact CB-CB 4.3Å; F212-L218 HydrophobicContact CD2-CB 4Å; F212-L218 HydrophobicContact CD2-CD1 3.82Å; F212-L218 HydrophobicContact CE2-CD1 4.05Å; F212-L218 HydrophobicContact CG-CB 4.29Å; D214-L218 PolarHBondContact O-N 3.31Å; D214-L218 VanDerWaalsContact O-N 3.15Å; R215-L218 PolarHBondContact O-N 3.42Å; L218-A220 VanDerWaalsContact C-N 3.29Å; L218-A220 PolarHBondContact O-N 3.38Å; L218-H221 CarbonylContact O-C 3.54Å; L218-H221 WeakPolarHBondContact O-CA 3.35Å; L218-H221 WeakPolarHBondContact O-CB 3.37Å; L218-H221 PolarHBondContact O-N 3.03Å; L218-L222 HydrophobicContact CD1-CD2 4.37Å; L218-L222 HydrophobicContact CD1-CG 4.2Å; L218-L222 HydrophobicContact CG-CD1 4.32Å; L218-L222 HydrophobicContact CG-CG 4.43Å; L218-L222 WeakPolarHBondContact O-CG 3.38Å; L218-L222 PolarHBondContact O-N 2.83Å |
| 219 | R | 86.6 | Confident | 81.7 | Confident | 191 Ų | 191 | 79.6 Ų | 79.6 | 72% | 0.721 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -57.3 | -43.7 | 178.6 | 176.7 | 177.7 | -83 | 170.7 | -7.1 | 111.8 | R215 H221 L222 Q223 | R215-R219 PolarHBondContact O-N 3.3Å; R219-H221 VanDerWaalsContact C-N 3.28Å; R219-H221 PolarHBondContact O-N 3.31Å; R219-L222 PolarHBondContact O-N 3.18Å; R219-Q223 PolarHBondContact O-N 2.9Å |
| 220 | A | 84 | Confident | 81.1 | Confident | 18 Ų | 18 | 78.1 Ų | 78.1 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.9 | -30.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S216 N217 L218 R242 | S216-A220 VanDerWaalsContact O-CB 3.24Å; S216-A220 WeakPolarHBondContact O-CB 3.24Å; S216-A220 PolarHBondContact O-N 3.39Å; N217-A220 PolarHBondContact O-N 2.84Å; L218-A220 VanDerWaalsContact C-N 3.29Å; L218-A220 PolarHBondContact O-N 3.38Å; A220-R242 HydrophobicContact CB-CG 4.49Å |
| 221 | H | 86.3 | Confident | 80.8 | Confident | 16 Ų | 16 | 74.6 Ų | 74.6 | 7% | 0.074 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -73.1 | -38.5 | 171.4 | 168.1 | 55.9 | 0 | 0 | 0 | 112.4 | C205 C208 F212 N217 L218 R219 Q223 T224 H225 | C205-H221 PolarHBondContact SG-NE2 3.33Å; C208-H221 PolarHBondContact SG-NE2 3.04Å; F212-H221 HydrophobicContact CE1-CB 3.97Å; F212-H221 HydrophobicContact CE2-CB 3.89Å; F212-H221 AromaticContact CE2-CD2 3.24Å; F212-H221 WeakPolarHBondContact CE2-CD2 3.45Å; F212-H221 AromaticContact CE2-CG 3.69Å; F212-H221 HydrophobicContact CZ-CB 3.41Å; F212-H221 VanDerWaalsContact CZ-CB 3.41Å; F212-H221 AromaticContact CZ-CD2 3.34Å; F212-H221 WeakPolarHBondContact CZ-CD2 3.24Å; F212-H221 AromaticContact CZ-CG 3.3Å; N217-H221 WeakPolarHBondContact O-CB 3.38Å; N217-H221 PolarHBondContact O-N 3.46Å; L218-H221 CarbonylContact O-C 3.54Å; L218-H221 WeakPolarHBondContact O-CA 3.35Å; L218-H221 WeakPolarHBondContact O-CB 3.37Å; L218-H221 PolarHBondContact O-N 3.03Å; R219-H221 VanDerWaalsContact C-N 3.28Å; R219-H221 PolarHBondContact O-N 3.31Å; H221-Q223 PolarHBondContact O-N 2.99Å; H221-Q223 VanDerWaalsContact O-N 3.15Å; H221-T224 PolarHBondContact ND1-OG1 2.98Å; H221-T224 WeakPolarHBondContact O-CB 3.4Å; H221-T224 PolarHBondContact O-N 3.26Å; H221-T224 PolarHBondContact O-OG1 3Å; H221-H225 AromaticContact CE1-CD2 3.89Å; H221-H225 AromaticContact CE1-NE2 3.35Å; H221-H225 PolarHBondContact CE1-NE2 3.35Å; H221-H225 AromaticContact NE2-CD2 3.86Å; H221-H225 AromaticContact NE2-NE2 3.31Å; H221-H225 PolarHBondContact NE2-NE2 2.74Å |
| 222 | L | 85.3 | Confident | 80.6 | Confident | 44 Ų | 44 | 79 Ų | 79 | 23% | 0.23 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.7 | -30.4 | 176.4 | -67.9 | 174.6 | 0 | 0 | 0 | 112.3 | P206 L218 R219 T224 H225 A226 | P206-L222 HydrophobicContact CG-CD2 4.33Å; L218-L222 HydrophobicContact CD1-CD2 4.37Å; L218-L222 HydrophobicContact CD1-CG 4.2Å; L218-L222 HydrophobicContact CG-CD1 4.32Å; L218-L222 HydrophobicContact CG-CG 4.43Å; L218-L222 WeakPolarHBondContact O-CG 3.38Å; L218-L222 PolarHBondContact O-N 2.83Å; R219-L222 PolarHBondContact O-N 3.18Å; L222-T224 PolarHBondContact O-N 3.18Å; L222-H225 PolarHBondContact O-N 3.15Å; L222-A226 PolarHBondContact O-N 3.11Å |
| 223 | Q | 83.7 | Confident | 80.5 | Confident | 61 Ų | 61 | 77.6 Ų | 77.6 | 29% | 0.285 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -20.5 | 172.6 | -66.3 | 174.3 | -15.5 | 0 | 0 | 113.6 | R219 H221 S241 | R219-Q223 PolarHBondContact O-N 2.9Å; H221-Q223 PolarHBondContact O-N 2.99Å; H221-Q223 VanDerWaalsContact O-N 3.15Å; Q223-S241 PolarHBondContact OE1-O 3.15Å |
| 224 | T | 81.7 | Confident | 80.4 | Confident | 76 Ų | 76 | 80.6 Ų | 80.6 | 47% | 0.466 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -78.3 | -25.4 | 174.3 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | H221 L222 | H221-T224 PolarHBondContact ND1-OG1 2.98Å; H221-T224 WeakPolarHBondContact O-CB 3.4Å; H221-T224 PolarHBondContact O-N 3.26Å; H221-T224 PolarHBondContact O-OG1 3Å; L222-T224 PolarHBondContact O-N 3.18Å |
| 225 | H | 82.1 | Confident | 80.4 | Confident | 78 Ų | 78 | 82.3 Ų | 82.3 | 36% | 0.361 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -78 | -32.4 | 173.3 | -71.7 | -72 | 0 | 0 | 0 | 111.8 | C205 H221 L222 E227 | C205-H225 PolarHBondContact SG-NE2 3.05Å; C205-H225 VanDerWaalsContact SG-NE2 3.42Å; H221-H225 AromaticContact CE1-CD2 3.89Å; H221-H225 AromaticContact CE1-NE2 3.35Å; H221-H225 PolarHBondContact CE1-NE2 3.35Å; H221-H225 AromaticContact NE2-CD2 3.86Å; H221-H225 AromaticContact NE2-NE2 3.31Å; H221-H225 PolarHBondContact NE2-NE2 2.74Å; L222-H225 PolarHBondContact O-N 3.15Å; H225-E227 VanDerWaalsContact C-N 3.27Å; H225-E227 PolarHBondContact O-N 3.38Å |
| 226 | A | 72.2 | Confident | 80.4 | Confident | 64 Ų | 64 | 79.1 Ų | 79.1 | 53% | 0.529 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 3.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L222 V228 | L222-A226 PolarHBondContact O-N 3.11Å; A226-V228 HydrophobicContact CB-CG2 3.71Å; A226-V228 WeakPolarHBondContact O-CG2 3.48Å; A226-V228 PolarHBondContact O-N 3.49Å |
| 227 | E | 66.8 | Low | 80.1 | Confident | 168 Ų | 168 | 78.7 Ų | 78.7 | 79% | 0.785 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 12.9 | -175.7 | -58.9 | -165 | 161.6 | 0 | 0 | 116.5 | H225 K229 | H225-E227 VanDerWaalsContact C-N 3.27Å; H225-E227 PolarHBondContact O-N 3.38Å; E227-K229 PolarHBondContact O-N 3.31Å |
| 228 | V | 65.6 | Low | 79.9 | Confident | 63 Ų | 63 | 82.2 Ų | 82.2 | 38% | 0.382 | 43% | 0.429 | S | S | . | . | trans | -77.7 | 85.8 | -173.6 | -155.1 | 0 | 0 | 0 | 0 | 110.5 | A226 K230 | A226-V228 HydrophobicContact CB-CG2 3.71Å; A226-V228 WeakPolarHBondContact O-CG2 3.48Å; A226-V228 PolarHBondContact O-N 3.49Å; V228-K230 HydrophobicContact CB-CG 4.43Å; V228-K230 HydrophobicContact CG1-CD 4.11Å; V228-K230 HydrophobicContact CG1-CG 3.59Å; V228-K230 PolarHBondContact O-N 3.13Å | ||
| 229 | K | 66.4 | Low | 79.6 | Confident | 134 Ų | 134 | 85 Ų | 85 | 58% | 0.583 | 45% | 0.446 | S | S | * | . | trans | -82.4 | 86.4 | 172.7 | -62.8 | -179.9 | -172.5 | 168.2 | 0 | 110 | E227 T239 | E227-K229 PolarHBondContact O-N 3.31Å; K229-T239 VanDerWaalsContact CD-OG1 3.3Å; K229-T239 WeakPolarHBondContact CD-OG1 3.32Å | ||
| 230 | K | 73.6 | Confident | 79.3 | Confident | 146 Ų | 146 | 77.7 Ų | 77.7 | 64% | 0.635 | 42% | 0.42 | S | S | * | . | trans | -80.5 | -20.2 | -175.5 | -60.5 | -171.2 | 179 | -172.7 | 0 | 114.8 | V228 F240 | V228-K230 HydrophobicContact CB-CG 4.43Å; V228-K230 HydrophobicContact CG1-CD 4.11Å; V228-K230 HydrophobicContact CG1-CG 3.59Å; V228-K230 PolarHBondContact O-N 3.13Å; K230-F240 PolarHBondContact N-O 3.24Å | ||
| 231 | Y | 79.8 | Confident | 79.1 | Confident | 86 Ų | 86 | 78 Ų | 78 | 34% | 0.337 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 106.5 | -166.1 | -57.4 | -77.5 | 0 | 0 | 0 | 111.2 | T239 F240 M243 | Y231-T239 CarbonylContact O-C 3.54Å; Y231-T239 WeakPolarHBondContact O-CA 3.3Å; Y231-F240 PolarHBondContact N-O 2.83Å; Y231-F240 PolarHBondContact O-N 3.42Å; Y231-M243 HydrophobicContact CD1-CB 4.13Å; Y231-M243 HydrophobicContact CE1-CB 4Å; Y231-M243 HydrophobicContact CG-CB 4.45Å |
| 232 | Q | 83.7 | Confident | 78.7 | Confident | 116 Ų | 116 | 81.3 Ų | 81.3 | 54% | 0.542 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 140.7 | 178.4 | -166.9 | 171.9 | 23.1 | 0 | 0 | 111.5 | S237 R238 T239 | Q232-S237 WeakPolarHBondContact CG-O 3.08Å; Q232-S237 PolarHBondContact NE2-O 2.82Å; Q232-R238 CarbonylContact C-O 3.23Å; Q232-R238 WeakPolarHBondContact CA-O 3.32Å; Q232-T239 HydrophobicContact CB-CG2 4.05Å; Q232-T239 HydrophobicContact CG-CG2 3.86Å |
| 233 | C | 84.2 | Confident | 78.7 | Confident | 6 Ų | 6 | 84.3 Ų | 84.3 | 4% | 0.041 | 45% | 0.446 | C | S | . | . | trans | -74.8 | 125.2 | 167.1 | -174.9 | 0 | 0 | 0 | 0 | 110 | V235 C236 S237 R238 F240 L246 | C233-V235 PolarHBondContact O-N 2.85Å; C233-C236 PolarHBondContact SG-SG 3.25Å; C233-S237 VanDerWaalsContact O-CA 3.29Å; C233-S237 WeakPolarHBondContact O-CA 3.48Å; C233-S237 PolarHBondContact O-N 3.4Å; C233-R238 PolarHBondContact N-O 3.17Å; C233-F240 HydrophobicContact CB-CE2 4.25Å; C233-L246 HydrophobicContact CB-CD1 3.64Å | ||
| 234 | G | 80.9 | Confident | 78.7 | Confident | 84 Ų | 84 | 84.1 Ų | 84.1 | 87% | 0.866 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 235 | V | 82.6 | Confident | 78.8 | Confident | 94 Ų | 94 | 83.2 Ų | 83.2 | 57% | 0.57 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -42.4 | -177.5 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | C233 C255 | C233-V235 PolarHBondContact O-N 2.85Å; V235-C255 HydrophobicContact CB-CB 3.93Å; V235-C255 HydrophobicContact CG1-CB 3.78Å |
| 236 | C | 84.1 | Confident | 78.9 | Confident | 42 Ų | 42 | 81 Ų | 81 | 28% | 0.284 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 15.1 | -170.7 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | C233 R238 H249 C255 | C233-C236 PolarHBondContact SG-SG 3.25Å; C236-R238 PolarHBondContact O-N 2.83Å; C236-H249 PolarHBondContact SG-NE2 3.04Å; C236-C255 HydrophobicContact CB-CB 3.86Å; C236-C255 WeakPolarHBondContact CB-SG 3.24Å; C236-C255 WeakPolarHBondContact SG-CB 3.11Å; C236-C255 CovalentContact SG-SG 2.05Å; C236-C255 PolarHBondContact SG-SG 3.14Å |
| 237 | S | 79.6 | Confident | 79.5 | Confident | 80 Ų | 80 | 83.7 Ų | 83.7 | 56% | 0.559 | 44% | 0.436 | S | S | * | . | trans | 53.6 | 8.3 | 174.6 | -61.5 | 0 | 0 | 0 | 0 | 116.4 | Q232 C233 | Q232-S237 WeakPolarHBondContact CG-O 3.08Å; Q232-S237 PolarHBondContact NE2-O 2.82Å; C233-S237 VanDerWaalsContact O-CA 3.29Å; C233-S237 WeakPolarHBondContact O-CA 3.48Å; C233-S237 PolarHBondContact O-N 3.4Å | ||
| 238 | R | 80 | Confident | 80.4 | Confident | 156 Ų | 156 | 82.4 Ų | 82.4 | 59% | 0.589 | 43% | 0.428 | S | S | * | . | trans | -67.2 | 133.5 | 177.5 | -75.4 | -175.8 | 177.3 | -177.9 | 1.8 | 110.6 | Q232 C233 C236 F240 | Q232-R238 CarbonylContact C-O 3.23Å; Q232-R238 WeakPolarHBondContact CA-O 3.32Å; C233-R238 PolarHBondContact N-O 3.17Å; C236-R238 PolarHBondContact O-N 2.83Å; R238-F240 HydrophobicContact CB-CE2 3.84Å; R238-F240 HydrophobicContact CB-CZ 3.98Å; R238-F240 WeakPolarHBondContact O-CE2 3.43Å | ||
| 239 | T | 81.6 | Confident | 81.3 | Confident | 63 Ų | 63 | 80.1 Ų | 80.1 | 39% | 0.387 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 137.7 | -179.3 | 58.3 | 0 | 0 | 0 | 0 | 111.5 | K229 Y231 Q232 | K229-T239 VanDerWaalsContact CD-OG1 3.3Å; K229-T239 WeakPolarHBondContact CD-OG1 3.32Å; Y231-T239 CarbonylContact O-C 3.54Å; Y231-T239 WeakPolarHBondContact O-CA 3.3Å; Q232-T239 HydrophobicContact CB-CG2 4.05Å; Q232-T239 HydrophobicContact CG-CG2 3.86Å |
| 240 | F | 81.3 | Confident | 82 | Confident | 37 Ų | 37 | 77.3 Ų | 77.3 | 16% | 0.162 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 145 | -176.6 | -59.2 | -87.6 | 0 | 0 | 0 | 109.3 | K230 Y231 C233 R238 R242 L245 L246 H249 | K230-F240 PolarHBondContact N-O 3.24Å; Y231-F240 PolarHBondContact N-O 2.83Å; Y231-F240 PolarHBondContact O-N 3.42Å; C233-F240 HydrophobicContact CB-CE2 4.25Å; R238-F240 HydrophobicContact CB-CE2 3.84Å; R238-F240 HydrophobicContact CB-CZ 3.98Å; R238-F240 WeakPolarHBondContact O-CE2 3.43Å; F240-R242 VanDerWaalsContact C-N 3.27Å; F240-R242 PolarHBondContact O-N 3.2Å; F240-L245 HydrophobicContact CB-CB 4.29Å; F240-L245 HydrophobicContact CD1-CB 3.81Å; F240-L245 HydrophobicContact CG-CB 4.32Å; F240-L246 HydrophobicContact CB-CB 4.4Å; F240-L246 HydrophobicContact CD2-CB 3.87Å; F240-L246 HydrophobicContact CD2-CD1 3.85Å; F240-L246 HydrophobicContact CD2-CG 4.44Å; F240-L246 HydrophobicContact CE2-CD1 3.89Å; F240-L246 HydrophobicContact CG-CB 4.22Å; F240-H249 HydrophobicContact CE1-CB 4.05Å; F240-H249 HydrophobicContact CE2-CB 4.23Å; F240-H249 AromaticContact CE2-CD2 3.38Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.38Å; F240-H249 AromaticContact CE2-CG 3.94Å; F240-H249 AromaticContact CE2-NE2 3.95Å; F240-H249 HydrophobicContact CZ-CB 3.61Å; F240-H249 AromaticContact CZ-CD2 3.23Å; F240-H249 WeakPolarHBondContact CZ-CD2 3.38Å; F240-H249 AromaticContact CZ-CG 3.34Å; F240-H249 AromaticContact CZ-ND1 3.95Å; F240-H249 AromaticContact CZ-NE2 3.7Å |
| 241 | S | 80.4 | Confident | 82.3 | Confident | 23 Ų | 23 | 75 Ų | 75 | 16% | 0.161 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -73.9 | -18.4 | 172.5 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | Q223 | Q223-S241 PolarHBondContact OE1-O 3.15Š|
| 242 | R | 77.8 | Confident | 82.2 | Confident | 87 Ų | 87 | 73.9 Ų | 73.9 | 33% | 0.328 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -137.2 | 139.4 | -174.9 | -56.4 | -177.3 | -62.1 | 146 | -9.9 | 112.5 | A220 F240 S244 L245 L246 | A220-R242 HydrophobicContact CB-CG 4.49Å; F240-R242 VanDerWaalsContact C-N 3.27Å; F240-R242 PolarHBondContact O-N 3.2Å; R242-S244 VanDerWaalsContact C-N 3.29Å; R242-S244 PolarHBondContact O-N 3.36Å; R242-L245 HydrophobicContact CB-CD1 4.23Å; R242-L245 HydrophobicContact CB-CG 4.26Å; R242-L245 WeakPolarHBondContact O-CB 3.3Å; R242-L245 PolarHBondContact O-N 2.78Å; R242-L245 VanDerWaalsContact O-N 3.13Å; R242-L246 PolarHBondContact O-N 2.93Å |
| 243 | M | 83.6 | Confident | 81.5 | Confident | 106 Ų | 106 | 70.8 Ų | 70.8 | 52% | 0.522 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.8 | -36.2 | 176.2 | -169 | 179 | 86.9 | 0 | 0 | 113 | Y231 L245 L246 Q247 | Y231-M243 HydrophobicContact CD1-CB 4.13Å; Y231-M243 HydrophobicContact CE1-CB 4Å; Y231-M243 HydrophobicContact CG-CB 4.45Å; M243-L245 VanDerWaalsContact C-N 3.28Å; M243-L245 PolarHBondContact O-N 3.07Å; M243-L246 WeakPolarHBondContact O-CB 3.37Å; M243-L246 PolarHBondContact O-N 3.2Å; M243-Q247 PolarHBondContact O-N 3.5Å |
| 244 | S | 83.8 | Confident | 80.6 | Confident | 57 Ų | 57 | 74.7 Ų | 74.7 | 40% | 0.399 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.5 | -27.9 | 178.5 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | R242 K248 | R242-S244 VanDerWaalsContact C-N 3.29Å; R242-S244 PolarHBondContact O-N 3.36Å; S244-K248 WeakPolarHBondContact O-CG 3.25Å; S244-K248 PolarHBondContact O-N 2.88Å; S244-K248 VanDerWaalsContact O-N 3.11Å |
| 245 | L | 83.9 | Confident | 79.7 | Confident | 58 Ų | 58 | 72.1 Ų | 72.1 | 30% | 0.304 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -73.2 | -42.2 | 172.6 | -70.1 | 174.4 | 0 | 0 | 0 | 110.9 | F240 R242 M243 Q247 K248 H249 | F240-L245 HydrophobicContact CB-CB 4.29Å; F240-L245 HydrophobicContact CD1-CB 3.81Å; F240-L245 HydrophobicContact CG-CB 4.32Å; R242-L245 HydrophobicContact CB-CD1 4.23Å; R242-L245 HydrophobicContact CB-CG 4.26Å; R242-L245 WeakPolarHBondContact O-CB 3.3Å; R242-L245 PolarHBondContact O-N 2.78Å; R242-L245 VanDerWaalsContact O-N 3.13Å; M243-L245 VanDerWaalsContact C-N 3.28Å; M243-L245 PolarHBondContact O-N 3.07Å; L245-Q247 VanDerWaalsContact C-N 3.35Å; L245-K248 PolarHBondContact O-N 3.27Å; L245-H249 VanDerWaalsContact O-CB 3.3Å; L245-H249 WeakPolarHBondContact O-CB 3.42Å; L245-H249 PolarHBondContact O-N 3.47Å |
| 246 | L | 85.5 | Confident | 78.6 | Confident | 31 Ų | 31 | 72.3 Ų | 72.3 | 16% | 0.162 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 172.3 | 172.6 | 61.4 | 0 | 0 | 0 | 111.3 | C233 F240 R242 M243 K248 H249 S250 | C233-L246 HydrophobicContact CB-CD1 3.64Å; F240-L246 HydrophobicContact CB-CB 4.4Å; F240-L246 HydrophobicContact CD2-CB 3.87Å; F240-L246 HydrophobicContact CD2-CD1 3.85Å; F240-L246 HydrophobicContact CD2-CG 4.44Å; F240-L246 HydrophobicContact CE2-CD1 3.89Å; F240-L246 HydrophobicContact CG-CB 4.22Å; R242-L246 PolarHBondContact O-N 2.93Å; M243-L246 WeakPolarHBondContact O-CB 3.37Å; M243-L246 PolarHBondContact O-N 3.2Å; L246-K248 PolarHBondContact O-N 2.79Å; L246-H249 CarbonylContact O-C 3.53Å; L246-H249 WeakPolarHBondContact O-CB 3.4Å; L246-H249 PolarHBondContact O-N 2.94Å; L246-S250 PolarHBondContact O-N 3.32Å; L246-S250 PolarHBondContact O-OG 2.88Å |
| 247 | Q | 85.3 | Confident | 77.2 | Confident | 120 Ų | 120 | 76 Ų | 76 | 56% | 0.561 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.3 | -41 | 178.4 | -77.7 | -156.3 | -33.8 | 0 | 0 | 112.8 | M243 L245 H249 S250 S251 | M243-Q247 PolarHBondContact O-N 3.5Å; L245-Q247 VanDerWaalsContact C-N 3.35Å; Q247-H249 VanDerWaalsContact C-N 3.32Å; Q247-H249 PolarHBondContact O-N 2.72Å; Q247-S250 WeakPolarHBondContact CA-OG 3.23Å; Q247-S250 PolarHBondContact O-N 2.89Å; Q247-S250 PolarHBondContact O-OG 3.42Å; Q247-S251 VanDerWaalsContact O-CB 3.25Å; Q247-S251 WeakPolarHBondContact O-CB 3.4Å; Q247-S251 PolarHBondContact O-N 3.04Å; Q247-S251 PolarHBondContact O-OG 3.07Å; Q247-S251 VanDerWaalsContact O-OG 3.07Å |
| 248 | K | 84.8 | Confident | 75.8 | Confident | 141 Ų | 141 | 80.9 Ų | 80.9 | 61% | 0.613 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.6 | -45.3 | 173.4 | -76.5 | 179.8 | -178.8 | -167.5 | 0 | 111.1 | S244 L245 L246 S251 S252 | S244-K248 WeakPolarHBondContact O-CG 3.25Å; S244-K248 PolarHBondContact O-N 2.88Å; S244-K248 VanDerWaalsContact O-N 3.11Å; L245-K248 PolarHBondContact O-N 3.27Å; L246-K248 PolarHBondContact O-N 2.79Å; K248-S251 WeakPolarHBondContact CA-OG 3.47Å; K248-S251 PolarHBondContact O-N 3.35Å; K248-S251 PolarHBondContact O-OG 3.17Å; K248-S252 VanDerWaalsContact O-CB 3.32Å; K248-S252 WeakPolarHBondContact O-CB 3.29Å; K248-S252 PolarHBondContact O-N 2.79Å; K248-S252 PolarHBondContact O-OG 2.78Å |
| 249 | H | 84 | Confident | 74 | Confident | 16 Ų | 16 | 80.6 Ų | 80.6 | 7% | 0.074 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 178.4 | 172.8 | 65.5 | 0 | 0 | 0 | 113.4 | C236 F240 L245 L246 Q247 S251 S252 C255 | C236-H249 PolarHBondContact SG-NE2 3.04Å; F240-H249 HydrophobicContact CE1-CB 4.05Å; F240-H249 HydrophobicContact CE2-CB 4.23Å; F240-H249 AromaticContact CE2-CD2 3.38Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.38Å; F240-H249 AromaticContact CE2-CG 3.94Å; F240-H249 AromaticContact CE2-NE2 3.95Å; F240-H249 HydrophobicContact CZ-CB 3.61Å; F240-H249 AromaticContact CZ-CD2 3.23Å; F240-H249 WeakPolarHBondContact CZ-CD2 3.38Å; F240-H249 AromaticContact CZ-CG 3.34Å; F240-H249 AromaticContact CZ-ND1 3.95Å; F240-H249 AromaticContact CZ-NE2 3.7Å; L245-H249 VanDerWaalsContact O-CB 3.3Å; L245-H249 WeakPolarHBondContact O-CB 3.42Å; L245-H249 PolarHBondContact O-N 3.47Å; L246-H249 CarbonylContact O-C 3.53Å; L246-H249 WeakPolarHBondContact O-CB 3.4Å; L246-H249 PolarHBondContact O-N 2.94Å; Q247-H249 VanDerWaalsContact C-N 3.32Å; Q247-H249 PolarHBondContact O-N 2.72Å; H249-S251 VanDerWaalsContact C-N 3.35Å; H249-S252 PolarHBondContact O-OG 3.34Å; H249-C255 PolarHBondContact CE1-SG 3.28Å; H249-C255 PolarHBondContact NE2-SG 3.48Å |
| 250 | S | 80.9 | Confident | 73.6 | Confident | 75 Ų | 75 | 81.5 Ų | 81.5 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.6 | -34 | 174.9 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | L246 Q247 | L246-S250 PolarHBondContact O-N 3.32Å; L246-S250 PolarHBondContact O-OG 2.88Å; Q247-S250 WeakPolarHBondContact CA-OG 3.23Å; Q247-S250 PolarHBondContact O-N 2.89Å; Q247-S250 PolarHBondContact O-OG 3.42Å |
| 251 | S | 81.3 | Confident | 73.2 | Confident | 96 Ų | 96 | 83.8 Ų | 83.8 | 67% | 0.671 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -76.9 | -23.5 | 177.6 | 69.4 | 0 | 0 | 0 | 0 | 113.7 | Q247 K248 H249 G253 | Q247-S251 VanDerWaalsContact O-CB 3.25Å; Q247-S251 WeakPolarHBondContact O-CB 3.4Å; Q247-S251 PolarHBondContact O-N 3.04Å; Q247-S251 PolarHBondContact O-OG 3.07Å; Q247-S251 VanDerWaalsContact O-OG 3.07Å; K248-S251 WeakPolarHBondContact CA-OG 3.47Å; K248-S251 PolarHBondContact O-N 3.35Å; K248-S251 PolarHBondContact O-OG 3.17Å; H249-S251 VanDerWaalsContact C-N 3.35Å; S251-G253 PolarHBondContact O-N 3.1Å |
| 252 | S | 77.4 | Confident | 72.8 | Confident | 63 Ų | 63 | 87.2 Ų | 87.2 | 44% | 0.441 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 5.7 | -176.3 | 67 | 0 | 0 | 0 | 0 | 113.4 | K248 H249 C254 | K248-S252 VanDerWaalsContact O-CB 3.32Å; K248-S252 WeakPolarHBondContact O-CB 3.29Å; K248-S252 PolarHBondContact O-N 2.79Å; K248-S252 PolarHBondContact O-OG 2.78Å; H249-S252 PolarHBondContact O-OG 3.34Å; S252-C254 PolarHBondContact O-N 3.03Å; S252-C254 PolarHBondContact O-SG 3.23Å; S252-C254 VanDerWaalsContact O-SG 3.32Å; S252-C254 PolarHBondContact OG-SG 3.48Å |
| 253 | G | 67.7 | Low | 72.5 | Confident | 52 Ų | 52 | 87.2 Ų | 87.2 | 54% | 0.536 | 56% | 0.56 | S | S | . | * | trans | 63.5 | 0.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | S251 C255 S256 | S251-G253 PolarHBondContact O-N 3.1Å; G253-C255 PolarHBondContact O-N 2.05Å; G253-C255 VanDerWaalsContact O-N 3.14Å; G253-S256 PolarHBondContact O-OG 3.43Å | ||
| 254 | C | 65.5 | Low | 71.8 | Confident | 88 Ų | 88 | 86 Ų | 86 | 60% | 0.595 | 56% | 0.562 | S | S | * | * | trans | -72.8 | -3.8 | -172.7 | -64.9 | 0 | 0 | 0 | 0 | 114.4 | S252 | S252-C254 PolarHBondContact O-N 3.03Å; S252-C254 PolarHBondContact O-SG 3.23Å; S252-C254 VanDerWaalsContact O-SG 3.32Å; S252-C254 PolarHBondContact OG-SG 3.48Å | ||
| 255 | C | 62.2 | Low | 71 | Confident | 29 Ų | 29 | 87.9 Ų | 87.9 | 20% | 0.196 | 57% | 0.573 | C | S | . | * | trans | -104 | 69.1 | 168.8 | -65.2 | 0 | 0 | 0 | 0 | 108.5 | V235 C236 H249 G253 | V235-C255 HydrophobicContact CB-CB 3.93Å; V235-C255 HydrophobicContact CG1-CB 3.78Å; C236-C255 HydrophobicContact CB-CB 3.86Å; C236-C255 WeakPolarHBondContact CB-SG 3.24Å; C236-C255 WeakPolarHBondContact SG-CB 3.11Å; C236-C255 CovalentContact SG-SG 2.05Å; C236-C255 PolarHBondContact SG-SG 3.14Å; H249-C255 PolarHBondContact CE1-SG 3.28Å; H249-C255 PolarHBondContact NE2-SG 3.48Å; G253-C255 PolarHBondContact O-N 2.05Å; G253-C255 VanDerWaalsContact O-N 3.14Å | ||
| 256 | S | 59.4 | Low | 70.1 | Confident | 98 Ų | 98 | 90.1 Ų | 90.1 | 69% | 0.685 | 59% | 0.592 | S | S | * | * | trans | -68.9 | 126.1 | 161.3 | -42.4 | 0 | 0 | 0 | 0 | 107.3 | G253 L258 | G253-S256 PolarHBondContact O-OG 3.43Å; S256-L258 PolarHBondContact O-N 3.04Å | ||
| 257 | T | 55.6 | Low | 68.9 | Low | 121 Ų | 121 | 94.6 Ų | 94.6 | 74% | 0.742 | 63% | 0.626 | S | S | * | * | trans | -39.2 | 125.7 | 172.2 | 33.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 258 | L | 50.8 | Low | 67.5 | Low | 181 Ų | 181 | 92.5 Ų | 92.5 | 95% | 0.948 | 63% | 0.631 | S | S | * | * | trans | -123.2 | 110.6 | 153.7 | -91.4 | 168.1 | 0 | 0 | 0 | 107.2 | S256 | S256-L258 PolarHBondContact O-N 3.04Š| ||
| 259 | G | 40.7 | Very low | 66 | Low | 150 Ų | 150 | 88.1 Ų | 88.1 | 100% | 1.546 | 63% | 0.633 | S | S | * | * | trans | 111.5 | 0 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 |
Retrieved 259 of 259 residues in 131 ms
(Link to these results)