| 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 | 45.8 | Very low | 42.2 | Very low | 251 Ų | 251 | 154.8 Ų | 154.8 | 100% | 1.236 | 89% | 0.888 | S | S | * | * | 0 | 70.4 | 0 | -68.6 | 173.3 | -173.1 | 0 | 0 | 107.8 | |||||
| 2 | A | 43 | Very low | 41.4 | Very low | 96 Ų | 96 | 153.5 Ų | 153.5 | 79% | 0.793 | 88% | 0.876 | S | S | * | * | trans | -101.8 | 99 | 179.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 3 | L | 39.8 | Very low | 40.7 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 93% | 0.932 | 87% | 0.871 | S | S | * | * | trans | 175.5 | 56.5 | 167.7 | -102.4 | 157.5 | 0 | 0 | 0 | 109.8 | ||||
| 4 | A | 41.5 | Very low | 40 | Very low | 97 Ų | 97 | 154.4 Ų | 154.4 | 80% | 0.802 | 87% | 0.867 | S | S | * | * | S | Bend | trans | -157.3 | 32.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 5 | D | 40.8 | Very low | 39.4 | Very low | 169 Ų | 169 | 150.8 Ų | 150.8 | 90% | 0.904 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -139.2 | 28 | -174.7 | -113.5 | -16.8 | 0 | 0 | 0 | 114.7 | ||
| 6 | A | 42.2 | Very low | 39 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 81% | 0.81 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -134.1 | 22.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 7 | M | 42.5 | Very low | 38.7 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 95% | 0.946 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -114.7 | 12.3 | 173.9 | -75.2 | -163.7 | 164.1 | 0 | 0 | 114.3 | ||
| 8 | L | 49.4 | Very low | 38.4 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -133.1 | 45.2 | 178.4 | -83 | 174.4 | 0 | 0 | 0 | 113.9 | ||
| 9 | Q | 43.6 | Very low | 38 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -144 | 79.3 | 165.1 | -67.9 | -173.9 | 17.4 | 0 | 0 | 111.3 | ||
| 10 | S | 33.9 | Very low | 37.9 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 85% | 0.846 | 85% | 0.846 | S | S | * | * | trans | 178.8 | 38.3 | 148.7 | 37.5 | 0 | 0 | 0 | 0 | 113.1 | N12 | S10-N12 PolarHBondContact O-N 3.22Š| ||
| 11 | I | 41.6 | Very low | 38.1 | Very low | 153 Ų | 153 | 148 Ų | 148 | 79% | 0.785 | 85% | 0.847 | S | S | * | * | trans | -80.1 | 101.6 | 146.6 | -62.6 | 175.1 | 0 | 0 | 0 | 105.4 | ||||
| 12 | N | 33.2 | Very low | 37.5 | Very low | 139 Ų | 139 | 145 Ų | 145 | 74% | 0.743 | 83% | 0.83 | S | S | * | * | trans | 138.5 | 95.4 | 157.6 | -73.7 | -24 | 0 | 0 | 0 | 109.7 | S10 | S10-N12 PolarHBondContact O-N 3.22Š| ||
| 13 | T | 32.2 | Very low | 37 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | 179.7 | 132.2 | 122.2 | 28.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 14 | F | 30.6 | Very low | 36.8 | Very low | 187 Ų | 187 | 151 Ų | 151 | 82% | 0.82 | 83% | 0.833 | S | S | * | * | trans | 67.5 | 104 | 159 | -94.2 | -107.5 | 0 | 0 | 0 | 117.4 | ||||
| 15 | S | 30.5 | Very low | 36.2 | Very low | 101 Ų | 101 | 151.9 Ų | 151.9 | 71% | 0.706 | 83% | 0.834 | S | S | * | * | 58.3 | 129.3 | 71.2 | -171.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 16 | S | 33.2 | Very low | 35.6 | Very low | 97 Ų | 97 | 147.9 Ų | 147.9 | 68% | 0.678 | 82% | 0.824 | S | S | * | * | trans | 97.5 | 107.2 | 164.8 | -22.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 17 | S | 33.3 | Very low | 35 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -54.6 | 152.1 | 155.5 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 18 | P | 34.2 | Very low | 34.3 | Very low | 122 Ų | 122 | 151.5 Ų | 151.5 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | -135.9 | 169.8 | 126 | 29.7 | -12.2 | 0 | 0 | 0 | 114 | |||||
| 19 | T | 31.5 | Very low | 33.4 | Very low | 135 Ų | 135 | 151.9 Ų | 151.9 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | trans | -76.9 | 163.9 | -161.3 | 43.2 | 0 | 0 | 0 | 0 | 115.8 | E21 | T19-E21 PolarHBondContact O-N 3.28Å; T19-E21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | M | 35.1 | Very low | 32.7 | Very low | 186 Ų | 186 | 149 Ų | 149 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -59.4 | 102.4 | 167.1 | -75.3 | -89.4 | -78.4 | 0 | 0 | 110.7 | ||
| 21 | E | 41.2 | Very low | 32.2 | Very low | 184 Ų | 184 | 155.9 Ų | 155.9 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | 165.1 | 100.9 | 151.8 | -98.3 | 171.6 | 171.8 | 0 | 0 | 107.2 | T19 | T19-E21 PolarHBondContact O-N 3.28Å; T19-E21 VanDerWaalsContact O-N 3.14Å | ||
| 22 | E | 34 | Very low | 31.6 | Very low | 189 Ų | 189 | 156.8 Ų | 156.8 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | 152.1 | 84 | 155.3 | -87.9 | 177.1 | 159.6 | 0 | 0 | 111.1 | ||||
| 23 | K | 33.6 | Very low | 31.5 | Very low | 205 Ų | 205 | 155.1 Ų | 155.1 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -178.8 | 71.8 | 143.7 | -95.6 | 155.1 | -166.4 | -172.7 | 0 | 110.2 | ||||
| 24 | Q | 34.4 | Very low | 31.4 | Very low | 195 Ų | 195 | 157.1 Ų | 157.1 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -76.9 | 144.4 | 136.5 | -77.1 | -178 | -18.2 | 0 | 0 | 107.1 | ||||
| 25 | S | 29.1 | Very low | 31.1 | Very low | 115 Ų | 115 | 151 Ų | 151 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 101.5 | 127.3 | 175.6 | -167.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 26 | A | 28.4 | Very low | 30.9 | Very low | 84 Ų | 84 | 152.9 Ų | 152.9 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | trans | 81.6 | 103 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 27 | I | 30.5 | Very low | 30.6 | Very low | 155 Ų | 155 | 157.1 Ų | 157.1 | 80% | 0.795 | 83% | 0.826 | S | S | * | * | -178.8 | 101.6 | 95.6 | -77.9 | 149.1 | 0 | 0 | 0 | 107.2 | |||||
| 28 | F | 26.9 | Very low | 30.4 | Very low | 212 Ų | 212 | 158.2 Ų | 158.2 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | trans | -108.7 | 108.8 | 155.5 | -126.6 | -84.3 | 0 | 0 | 0 | 104.6 | ||||
| 29 | H | 30 | Very low | 30.2 | Very low | 171 Ų | 171 | 158.1 Ų | 158.1 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | trans | 165.9 | 132 | 169.1 | -88.8 | -60.1 | 0 | 0 | 0 | 103.1 | ||||
| 30 | D | 28.5 | Very low | 30 | Very low | 125 Ų | 125 | 156.1 Ų | 156.1 | 67% | 0.668 | 83% | 0.827 | S | S | * | * | cis | -173.4 | 129.1 | 13.2 | 178.9 | 34.8 | 0 | 0 | 0 | 103.9 | ||||
| 31 | W | 24.6 | Very low | 29.8 | Very low | 265 Ų | 265 | 154.2 Ų | 154.2 | 100% | 1.004 | 83% | 0.826 | S | S | * | * | trans | -156.2 | 111.7 | 141.8 | -125 | 29.7 | 0 | 0 | 0 | 110.9 | ||||
| 32 | K | 28.5 | Very low | 29.2 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | -102.9 | 123.7 | -174.2 | -176 | -179.3 | 175.8 | 178.2 | 0 | 108.5 | ||||
| 33 | V | 30.8 | Very low | 28.9 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 63% | 0.63 | 82% | 0.822 | S | S | * | * | trans | 66.9 | 127.1 | 133.7 | -177.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 34 | D | 29.6 | Very low | 28.7 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | -142.2 | 133.4 | 121.1 | -76.9 | -43.1 | 0 | 0 | 0 | 105.7 | |||||
| 35 | G | 26.1 | Very low | 28.6 | Very low | 60 Ų | 60 | 142.9 Ų | 142.9 | 62% | 0.619 | 81% | 0.811 | S | S | * | * | cis | 148 | 107.3 | 9.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 36 | C | 25.8 | Very low | 28.5 | Very low | 139 Ų | 139 | 146.7 Ų | 146.7 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | trans | -167.1 | 119.5 | 146.3 | -112.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 37 | H | 25.8 | Very low | 28.6 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -76.2 | 139.6 | 173.8 | -75 | -98 | 0 | 0 | 0 | 110.9 | ||||
| 38 | T | 30.2 | Very low | 28.5 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | -153 | 125.4 | 125.5 | 48.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 39 | S | 29 | Very low | 28.5 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -72 | 139.8 | 177.1 | 46.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 40 | A | 28.2 | Very low | 28.3 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -156.5 | 106.9 | 150.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 41 | T | 31 | Very low | 28.3 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | trans | 8.3 | 138.2 | 147.5 | 57.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 42 | G | 27.5 | Very low | 28.3 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 140.6 | 107 | 144 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 43 | D | 28.8 | Very low | 28.1 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -66 | 154.1 | -179.3 | -59.8 | -65.6 | 0 | 0 | 0 | 115.1 | ||||
| 44 | D | 29.4 | Very low | 27.7 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | 114.8 | 138.2 | 128.7 | -120.1 | -15.1 | 0 | 0 | 0 | 120.7 | |||||
| 45 | L | 31.4 | Very low | 27.6 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | 87.1 | 83.7 | 163.9 | -62.4 | 160.7 | 0 | 0 | 0 | 120.7 | ||||
| 46 | K | 27.9 | Very low | 27.5 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | 39.7 | 106.8 | 109.8 | -161.7 | -179.5 | -170.3 | -178.6 | 0 | 117.8 | |||||
| 47 | S | 30.2 | Very low | 27.6 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | 179.2 | 132.9 | 119.6 | 38.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 48 | Q | 28.3 | Very low | 27.6 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -65 | 131.9 | 175.1 | -69.4 | 157.3 | -23.3 | 0 | 0 | 110.2 | ||||
| 49 | I | 26.9 | Very low | 27.5 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -124 | 94.3 | 150.3 | -61 | 177.8 | 0 | 0 | 0 | 104.9 | V51 | I49-V51 HydrophobicContact CG2-CG2 4Å; I49-V51 PolarHBondContact O-N 3.29Å | ||
| 50 | E | 26.4 | Very low | 27.4 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -67.2 | 106.7 | 160.7 | -74.2 | 176.3 | 165.2 | 0 | 0 | 106.7 | E52 | E50-E52 PolarHBondContact O-N 2.95Š| ||
| 51 | V | 27.3 | Very low | 27.5 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 65% | 0.648 | 78% | 0.78 | S | S | * | * | trans | -81.6 | 95.6 | 162.2 | -178.9 | 0 | 0 | 0 | 0 | 105.8 | I49 F53 | I49-V51 HydrophobicContact CG2-CG2 4Å; I49-V51 PolarHBondContact O-N 3.29Å; V51-F53 VanDerWaalsContact C-N 3.34Å; V51-F53 HydrophobicContact CG1-CD2 4.02Å; V51-F53 HydrophobicContact CG1-CE2 4.25Å; V51-F53 PolarHBondContact O-N 3.36Å | ||
| 52 | E | 25.4 | Very low | 27.4 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -64.2 | 96.5 | 168.5 | -157.3 | 180 | -158.6 | 0 | 0 | 107.8 | E50 S54 | E50-E52 PolarHBondContact O-N 2.95Å; E52-S54 VanDerWaalsContact C-N 3.33Å; E52-S54 PolarHBondContact O-N 3.26Å | ||
| 53 | F | 23.9 | Very low | 27.6 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -69.8 | 95.6 | 167.3 | -107.4 | -92.9 | 0 | 0 | 0 | 107.4 | V51 I55 | V51-F53 VanDerWaalsContact C-N 3.34Å; V51-F53 HydrophobicContact CG1-CD2 4.02Å; V51-F53 HydrophobicContact CG1-CE2 4.25Å; V51-F53 PolarHBondContact O-N 3.36Å; F53-I55 PolarHBondContact O-N 3.3Å | ||
| 54 | S | 23.6 | Very low | 27.8 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | trans | -65.7 | 91.1 | 159.7 | -70.4 | 0 | 0 | 0 | 0 | 108 | E52 V56 | E52-S54 VanDerWaalsContact C-N 3.33Å; E52-S54 PolarHBondContact O-N 3.26Å; S54-V56 VanDerWaalsContact C-N 3.27Å; S54-V56 PolarHBondContact O-N 3.41Å | ||
| 55 | I | 25.6 | Very low | 28.2 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | trans | -67.4 | 96.8 | 161.1 | -58.5 | 174.3 | 0 | 0 | 0 | 105.1 | F53 E57 | F53-I55 PolarHBondContact O-N 3.3Å; I55-E57 VanDerWaalsContact C-N 3.25Å; I55-E57 PolarHBondContact O-N 3Å | ||
| 56 | V | 25 | Very low | 28.5 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -65.3 | 99 | 160.2 | 177.2 | 0 | 0 | 0 | 0 | 105.3 | S54 S58 | S54-V56 VanDerWaalsContact C-N 3.27Å; S54-V56 PolarHBondContact O-N 3.41Å; V56-S58 PolarHBondContact O-N 3.41Å | ||
| 57 | E | 26.8 | Very low | 29.1 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -52.8 | 108.3 | 163.3 | -75.8 | -175.1 | 152.1 | 0 | 0 | 107.4 | I55 | I55-E57 VanDerWaalsContact C-N 3.25Å; I55-E57 PolarHBondContact O-N 3Å | ||
| 58 | S | 25.8 | Very low | 29.3 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | trans | -61.8 | 125.4 | 165.2 | -67.8 | 0 | 0 | 0 | 0 | 106.9 | V56 A60 | V56-S58 PolarHBondContact O-N 3.41Å; S58-A60 PolarHBondContact O-N 3.37Å; S58-A60 VanDerWaalsContact O-N 3.1Å | ||
| 59 | P | 29.8 | Very low | 29.7 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 71% | 0.714 | S | S | * | * | trans | -64.1 | 122.6 | 177.5 | 25 | -30.7 | 0 | 0 | 0 | 107.8 | V61 | P59-V61 PolarHBondContact O-N 3.19Š| ||
| 60 | A | 25.3 | Very low | 30.2 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | trans | -44.8 | 108.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | S58 T62 | S58-A60 PolarHBondContact O-N 3.37Å; S58-A60 VanDerWaalsContact O-N 3.1Å; A60-T62 PolarHBondContact O-N 3.26Å | ||
| 61 | V | 30.6 | Very low | 30.8 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 78% | 0.782 | 70% | 0.702 | S | S | * | * | trans | -69.1 | 100 | 170.8 | 176.6 | 0 | 0 | 0 | 0 | 105.8 | P59 R63 | P59-V61 PolarHBondContact O-N 3.19Å; V61-R63 PolarHBondContact O-N 3.42Å | ||
| 62 | T | 29.8 | Very low | 31.2 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 59% | 0.589 | 71% | 0.711 | S | S | * | * | trans | -60.7 | 105.8 | 166.4 | 55 | 0 | 0 | 0 | 0 | 107 | A60 D64 | A60-T62 PolarHBondContact O-N 3.26Å; T62-D64 PolarHBondContact O-N 2.98Å | ||
| 63 | R | 32 | Very low | 32.1 | Very low | 200 Ų | 200 | 126.2 Ų | 126.2 | 76% | 0.755 | 69% | 0.687 | S | S | * | * | trans | -65.1 | 99.3 | 168.7 | -75.7 | 175.8 | 61.1 | 125.3 | 0 | 107.6 | V61 E65 | V61-R63 PolarHBondContact O-N 3.42Å; R63-E65 IonicContact CZ-OE1 3.53Å; R63-E65 IonicContact NE-OE1 3.32Å; R63-E65 PolarHBondContact NE-OE1 3.2Å; R63-E65 IonicContact NH2-OE1 2.84Å; R63-E65 PolarHBondContact NH2-OE1 2.94Å; R63-E65 PolarHBondContact O-N 2.91Å | ||
| 64 | D | 31.6 | Very low | 33.1 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 62% | 0.62 | 67% | 0.666 | S | S | * | * | trans | -85.4 | 101.7 | 169.5 | -71.2 | -41.7 | 0 | 0 | 0 | 108 | T62 D66 | T62-D64 PolarHBondContact O-N 2.98Å; D64-D66 PolarHBondContact O-N 2.94Å | ||
| 65 | E | 38.4 | Very low | 33.9 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 52% | 0.523 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.7 | 48.3 | -176.7 | -69.9 | -78.8 | 144 | 0 | 0 | 113.5 | R63 | R63-E65 IonicContact CZ-OE1 3.53Å; R63-E65 IonicContact NE-OE1 3.32Å; R63-E65 PolarHBondContact NE-OE1 3.2Å; R63-E65 IonicContact NH2-OE1 2.84Å; R63-E65 PolarHBondContact NH2-OE1 2.94Å; R63-E65 PolarHBondContact O-N 2.91Å |
| 66 | D | 37.4 | Very low | 34.2 | Very low | 157 Ų | 157 | 125.8 Ų | 125.8 | 84% | 0.84 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.8 | 3.9 | 179 | -85.9 | -42.9 | 0 | 0 | 0 | 115.2 | D64 L68 | D64-D66 PolarHBondContact O-N 2.94Å; D66-L68 VanDerWaalsContact C-N 3.28Å |
| 67 | D | 40.5 | Very low | 35 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | trans | -87.4 | 7 | 171.2 | -92 | -17.2 | 0 | 0 | 0 | 113.2 | G69 F71 | D67-G69 PolarHBondContact O-N 3.16Å; D67-F71 VanDerWaalsContact O-CE2 3.32Å; D67-F71 WeakPolarHBondContact O-CE2 3.45Å | ||
| 68 | L | 35.6 | Very low | 35.5 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 66% | 0.66 | 64% | 0.644 | S | S | * | * | trans | -74.6 | 69.7 | 175.1 | -70.5 | 173 | 0 | 0 | 0 | 111.6 | D66 F71 | D66-L68 VanDerWaalsContact C-N 3.28Å; L68-F71 HydrophobicContact CD2-CB 4.36Å; L68-F71 HydrophobicContact CD2-CD2 3.75Å; L68-F71 HydrophobicContact CD2-CE2 4.21Å; L68-F71 HydrophobicContact CD2-CG 4.09Å | ||
| 69 | G | 35.4 | Very low | 35.7 | Very low | 61 Ų | 61 | 119.9 Ų | 119.9 | 63% | 0.629 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -151.8 | 36.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D67 | D67-G69 PolarHBondContact O-N 3.16Š|
| 70 | K | 38.9 | Very low | 35.8 | Very low | 200 Ų | 200 | 121.9 Ų | 121.9 | 87% | 0.87 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 173.1 | 54.2 | 164.1 | -91.3 | 150.9 | -166.7 | -173.6 | 0 | 110.3 | ||
| 71 | F | 37.9 | Very low | 36.3 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 46% | 0.456 | 65% | 0.647 | S | S | . | * | trans | -104.8 | 86.2 | 175.3 | -88.1 | -94.3 | 0 | 0 | 0 | 109.8 | D67 L68 L74 | D67-F71 VanDerWaalsContact O-CE2 3.32Å; D67-F71 WeakPolarHBondContact O-CE2 3.45Å; L68-F71 HydrophobicContact CD2-CB 4.36Å; L68-F71 HydrophobicContact CD2-CD2 3.75Å; L68-F71 HydrophobicContact CD2-CE2 4.21Å; L68-F71 HydrophobicContact CD2-CG 4.09Å; F71-L74 HydrophobicContact CD1-CB 4.22Å; F71-L74 HydrophobicContact CD1-CD1 4.21Å; F71-L74 HydrophobicContact CE1-CB 4.21Å; F71-L74 HydrophobicContact CE1-CD1 3.61Å; F71-L74 HydrophobicContact CZ-CD1 4.05Å | ||
| 72 | L | 35.3 | Very low | 36.2 | Very low | 159 Ų | 159 | 125.4 Ų | 125.4 | 83% | 0.832 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -134.6 | -10.4 | 158.7 | -71 | 178 | 0 | 0 | 0 | 112.7 | ||
| 73 | D | 44.8 | Very low | 36.1 | Very low | 57 Ų | 57 | 124.7 Ų | 124.7 | 31% | 0.305 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -103.1 | -14.2 | -175.4 | -78.5 | -0.7 | 0 | 0 | 0 | 114.6 | R398 | D73-R398 IonicContact OD2-CZ 3.79Å; D73-R398 IonicContact OD2-NH2 2.72Å; D73-R398 PolarHBondContact OD2-NH2 2.92Å |
| 74 | L | 45.3 | Very low | 35.9 | Very low | 65 Ų | 65 | 120 Ų | 120 | 34% | 0.34 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -85.4 | -37.7 | -174 | -96.5 | 160 | 0 | 0 | 0 | 113 | F71 F76 I77 | F71-L74 HydrophobicContact CD1-CB 4.22Å; F71-L74 HydrophobicContact CD1-CD1 4.21Å; F71-L74 HydrophobicContact CE1-CB 4.21Å; F71-L74 HydrophobicContact CE1-CD1 3.61Å; F71-L74 HydrophobicContact CZ-CD1 4.05Å; L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 3.45Å; L74-I77 PolarHBondContact O-N 3.12Å |
| 75 | E | 40.7 | Very low | 35.8 | Very low | 156 Ų | 156 | 123.9 Ų | 123.9 | 73% | 0.729 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -33.3 | 179.4 | -71.1 | -87 | 132.8 | 0 | 0 | 112.3 | I77 S79 | E75-I77 VanDerWaalsContact C-N 3.34Å; E75-I77 PolarHBondContact O-N 2.9Å; E75-S79 PolarHBondContact O-OG 3.41Å |
| 76 | F | 32 | Very low | 35.3 | Very low | 184 Ų | 184 | 124.3 Ų | 124.3 | 81% | 0.807 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -22.2 | -178 | -168.8 | -101.8 | 0 | 0 | 0 | 113.6 | L74 | L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 3.45Å |
| 77 | I | 41.1 | Very low | 34.8 | Very low | 54 Ų | 54 | 120.6 Ų | 120.6 | 28% | 0.277 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.2 | -19.6 | -174.6 | -59.3 | 179.8 | 0 | 0 | 0 | 112.2 | L74 E75 Y397 | L74-I77 PolarHBondContact O-N 3.12Å; E75-I77 VanDerWaalsContact C-N 3.34Å; E75-I77 PolarHBondContact O-N 2.9Å; I77-Y397 HydrophobicContact CG2-CD1 4.06Å; I77-Y397 HydrophobicContact CG2-CE1 4.33Å |
| 78 | L | 36.2 | Very low | 34.3 | Very low | 131 Ų | 131 | 121 Ų | 121 | 69% | 0.686 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -91 | -0.8 | -178.7 | -72.4 | 169.3 | 0 | 0 | 0 | 114.7 | N80 | L78-N80 PolarHBondContact O-N 3.42Š|
| 79 | S | 31 | Very low | 33.9 | Very low | 93 Ų | 93 | 121 Ų | 121 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | trans | -88.7 | 10.7 | -170.5 | -63.5 | 0 | 0 | 0 | 0 | 116.3 | E75 | E75-S79 PolarHBondContact O-OG 3.41Š| ||
| 80 | N | 32.3 | Very low | 33.5 | Very low | 157 Ų | 157 | 124.7 Ų | 124.7 | 84% | 0.84 | 70% | 0.7 | S | S | * | * | trans | -126.9 | 67.6 | -179.3 | -84.3 | -23.3 | 0 | 0 | 0 | 113.1 | L78 | L78-N80 PolarHBondContact O-N 3.42Š| ||
| 81 | T | 36.2 | Very low | 33 | Very low | 131 Ų | 131 | 123 Ų | 123 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | trans | -158.8 | 73.7 | 153.8 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 82 | I | 28.5 | Very low | 32.5 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | trans | -132.8 | 100.3 | 153.6 | -59.2 | 179.8 | 0 | 0 | 0 | 105.9 | ||||
| 83 | G | 27.5 | Very low | 32.1 | Very low | 80 Ų | 80 | 123.6 Ų | 123.6 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | trans | -78.7 | 127 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 84 | S | 28.1 | Very low | 31.2 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | -153.2 | 105.8 | 160.2 | 56.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 85 | E | 28.7 | Very low | 30.5 | Very low | 198 Ų | 198 | 130.6 Ų | 130.6 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | trans | -149.4 | 109.8 | 139.7 | -70 | -155.4 | 161.7 | 0 | 0 | 109.7 | ||||
| 86 | S | 27.6 | Very low | 29.9 | Very low | 120 Ų | 120 | 132 Ų | 132 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -66.4 | 125 | 160.7 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 87 | G | 26.8 | Very low | 29.6 | Very low | 80 Ų | 80 | 127 Ų | 127 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -117.9 | 119.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 88 | T | 30.2 | Very low | 28.9 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -93.2 | 155 | -177.5 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 89 | N | 26.7 | Very low | 28.4 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | trans | 93.5 | 105.1 | 149.5 | -59.3 | -34.1 | 0 | 0 | 0 | 120.8 | ||||
| 90 | N | 28.4 | Very low | 28.1 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | 65.9 | 105 | 121.9 | -55.7 | -25 | 0 | 0 | 0 | 119.5 | |||||
| 91 | N | 26.7 | Very low | 27.9 | Very low | 166 Ų | 166 | 137.7 Ų | 137.7 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | -149 | 118.2 | 121.2 | -113.7 | -50.9 | 0 | 0 | 0 | 111 | |||||
| 92 | L | 28.3 | Very low | 27.6 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -79.8 | 130.3 | 163.2 | -120.6 | 79.4 | 0 | 0 | 0 | 107.3 | ||||
| 93 | S | 26.2 | Very low | 28.1 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | 176.1 | 132 | 124.3 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 94 | S | 27.1 | Very low | 28.1 | Very low | 92 Ų | 92 | 142.6 Ų | 142.6 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | trans | 72.3 | 99.5 | 150.7 | -59.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 95 | Q | 29.4 | Very low | 28.2 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | 98.8 | 147 | 75.8 | -91.7 | -173.6 | 5.3 | 0 | 0 | 111.6 | |||||
| 96 | Q | 28.6 | Very low | 28.9 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | 87.1 | 96.7 | 177 | -54.5 | 177.8 | -0 | 0 | 0 | 113.7 | ||||
| 97 | A | 25.3 | Very low | 29 | Very low | 79 Ų | 79 | 141.3 Ų | 141.3 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | 75.1 | 133.4 | 57.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 98 | Y | 26.1 | Very low | 29.1 | Very low | 215 Ų | 215 | 143 Ų | 143 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | 85.9 | 101.7 | 172.9 | -55.7 | -73.3 | 0 | 0 | 0 | 115.6 | ||||
| 99 | S | 26 | Very low | 28.8 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | 89 | 122.5 | 63 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 100 | Y | 25.6 | Very low | 28.9 | Very low | 221 Ų | 221 | 141.9 Ų | 141.9 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -40.5 | 149.1 | 172.2 | -73.4 | -97.3 | 0 | 0 | 0 | 115.8 | ||||
| 101 | S | 27.3 | Very low | 29 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | 179.5 | 147.7 | 104 | -72.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 102 | L | 29.7 | Very low | 29 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -70.3 | 172.2 | 172.5 | -98.6 | 126.1 | 0 | 0 | 0 | 112.8 | ||||
| 103 | P | 40.2 | Very low | 29.2 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | trans | -97.6 | 152.7 | -155.2 | 37.7 | -34 | 0 | 0 | 0 | 114.2 | ||||
| 104 | E | 26.5 | Very low | 29.4 | Very low | 201 Ų | 201 | 138.8 Ų | 138.8 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | trans | -137.1 | 132 | 155 | -72.4 | -172.7 | 154 | 0 | 0 | 109.6 | ||||
| 105 | S | 30.1 | Very low | 29.8 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -102.3 | 165.1 | 160.2 | -150.6 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 106 | P | 44.8 | Very low | 29.8 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | cis | -156.6 | 179 | 37.9 | 41.4 | -16.8 | 0 | 0 | 0 | 118.6 | ||||
| 107 | E | 29.2 | Very low | 29.9 | Very low | 182 Ų | 182 | 132 Ų | 132 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | 65.7 | 143.5 | 159.2 | -34.1 | -163.8 | 155.6 | 0 | 0 | 117.4 | ||||
| 108 | S | 28.4 | Very low | 30.2 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | cis | -169.1 | 169.5 | 31.5 | 48.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 109 | C | 24.2 | Very low | 30.4 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -44.4 | 153.4 | -176.8 | -58.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 110 | S | 28.4 | Very low | 30.6 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | 170.4 | 128.9 | 109.9 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 111 | T | 30.6 | Very low | 30.9 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | 38 | 132.2 | 139 | 63 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 112 | G | 27.5 | Very low | 32 | Very low | 65 Ų | 65 | 127.6 Ų | 127.6 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | cis | 140.9 | 162.8 | 29.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 113 | H | 31.8 | Very low | 32.2 | Very low | 167 Ų | 167 | 126.9 Ų | 126.9 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | 78.2 | 109.2 | 170.3 | -70.6 | -86.1 | 0 | 0 | 0 | 117.1 | ||||
| 114 | D | 30.4 | Very low | 31.8 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | 89.6 | 142.9 | 84.8 | -78.4 | 3.2 | 0 | 0 | 0 | 109.9 | |||||
| 115 | S | 35.5 | Very low | 31.9 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 57% | 0.566 | 75% | 0.749 | S | S | * | * | cis | -172.4 | 162.8 | -5.7 | -78.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 116 | D | 30.4 | Very low | 31.9 | Very low | 157 Ų | 157 | 124.8 Ų | 124.8 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | trans | 65.4 | 117.7 | 152.5 | -57.8 | -31 | 0 | 0 | 0 | 118.3 | ||||
| 117 | G | 29.7 | Very low | 31.2 | Very low | 75 Ų | 75 | 125.6 Ų | 125.6 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | 98.7 | 138.8 | 76.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 118 | S | 32.1 | Very low | 31.3 | Very low | 90 Ų | 90 | 122.5 Ų | 122.5 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | cis | -173.4 | 144.9 | 26.7 | -173.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 119 | Q | 31 | Very low | 31.4 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | 41.7 | 125.2 | 141.7 | -57.1 | 164.4 | 32.5 | 0 | 0 | 120.8 | ||||
| 120 | F | 29.9 | Very low | 31.7 | Very low | 183 Ų | 183 | 128 Ų | 128 | 80% | 0.803 | 76% | 0.755 | S | S | * | * | 168.1 | 130.3 | 100.7 | -107.5 | -89 | 0 | 0 | 0 | 110.3 | |||||
| 121 | T | 32.2 | Very low | 31.7 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -75.2 | -166.7 | 165.3 | 61.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 122 | P | 50.1 | Low | 31.6 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -139.8 | 178.5 | -10 | 37.2 | -17.7 | 0 | 0 | 0 | 115.2 | ||||
| 123 | N | 33.3 | Very low | 31.8 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | 61.4 | 153.5 | 142.8 | -79.2 | -5.6 | 0 | 0 | 0 | 118 | ||||
| 124 | A | 32 | Very low | 33 | Very low | 74 Ų | 74 | 129.9 Ų | 129.9 | 61% | 0.612 | 76% | 0.763 | S | S | * | * | cis | 179 | 151.1 | 23.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 125 | Y | 29 | Very low | 32.9 | Very low | 232 Ų | 232 | 126.6 Ų | 126.6 | 91% | 0.91 | 76% | 0.762 | S | S | * | * | trans | 76.3 | 141.2 | 136.5 | -80.3 | -111.8 | 0 | 0 | 0 | 124 | ||||
| 126 | G | 28.8 | Very low | 32.8 | Very low | 68 Ų | 68 | 132.2 Ų | 132.2 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 117.1 | 93.5 | 154.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 127 | S | 30.9 | Very low | 32.8 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | 66 | 108.9 | 54.7 | -60.7 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 128 | S | 31.5 | Very low | 32.9 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 167.3 | 116.5 | 138 | 44.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 129 | N | 31.2 | Very low | 32.9 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | cis | 59 | 108.6 | 46.4 | -84.6 | -2.8 | 0 | 0 | 0 | 115.9 | ||||
| 130 | F | 29.2 | Very low | 32.9 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 87% | 0.873 | 80% | 0.795 | S | S | * | * | trans | -167.3 | 103.2 | 135.7 | -96.7 | -77.3 | 0 | 0 | 0 | 107.4 | ||||
| 131 | N | 29 | Very low | 32.9 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | 58.8 | 111.2 | 88.4 | -80.9 | -19.1 | 0 | 0 | 0 | 116.1 | |||||
| 132 | T | 28.8 | Very low | 32.7 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | -170.7 | 149.5 | 110.1 | 2.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 133 | S | 30.2 | Very low | 31.7 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -131.8 | -167.2 | 179.2 | -122.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 134 | P | 56.9 | Low | 31.7 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | cis | -140.6 | -170.7 | -44.7 | 38 | -18.8 | 0 | 0 | 0 | 113.6 | ||||
| 135 | G | 29.8 | Very low | 32 | Very low | 68 Ų | 68 | 138.2 Ų | 138.2 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | 126.8 | 146.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 136 | H | 32.9 | Very low | 32 | Very low | 198 Ų | 198 | 135 Ų | 135 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | cis | -165.5 | 163.6 | 5.8 | -129.5 | -103.6 | 0 | 0 | 0 | 110 | ||||
| 137 | S | 31.1 | Very low | 32 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 66% | 0.657 | 82% | 0.815 | S | S | * | * | trans | -70.9 | 154.1 | -178.7 | 176.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 138 | L | 31.1 | Very low | 31.9 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -150.4 | 141.2 | 145.4 | -77.8 | -174.8 | 0 | 0 | 0 | 112.9 | ||||
| 139 | V | 33 | Very low | 31.6 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -100.2 | 151.4 | 173.2 | -88.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 140 | A | 29.3 | Very low | 31.4 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -164.9 | 156.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 141 | E | 30.6 | Very low | 31.5 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -119.1 | 178.6 | -151.2 | -163.8 | 178.7 | 167.1 | 0 | 0 | 111.1 | ||||
| 142 | L | 28.1 | Very low | 31.5 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | 87.9 | 132.7 | 162.4 | -56.6 | 177.3 | 0 | 0 | 0 | 116.8 | ||||
| 143 | L | 29.5 | Very low | 31.6 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | cis | -159.9 | 154.5 | 17.1 | -96.6 | 142.2 | 0 | 0 | 0 | 110.8 | ||||
| 144 | T | 32.2 | Very low | 31.6 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | trans | -80.1 | 172.5 | 166.5 | 50 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 145 | P | 38.3 | Very low | 30.3 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | -140 | 145.3 | 113.8 | 34.6 | -20.3 | 0 | 0 | 0 | 115.3 | |||||
| 146 | E | 30 | Very low | 30.2 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -79.6 | 152.6 | 166.3 | -63.3 | -174.9 | 140.3 | 0 | 0 | 111.7 | ||||
| 147 | M | 28.8 | Very low | 30 | Very low | 193 Ų | 193 | 147 Ų | 147 | 95% | 0.951 | 79% | 0.794 | S | S | * | * | trans | -136.6 | 114.2 | 157.6 | -72.3 | -90.1 | -83 | 0 | 0 | 108.4 | ||||
| 148 | N | 28.4 | Very low | 30 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 68% | 0.684 | 80% | 0.797 | S | S | * | * | trans | -108.5 | 167.6 | 169.7 | -101.6 | -36.1 | 0 | 0 | 0 | 109.6 | ||||
| 149 | F | 25.6 | Very low | 29.9 | Very low | 176 Ų | 176 | 146.2 Ų | 146.2 | 77% | 0.772 | 79% | 0.79 | S | S | * | * | trans | 102.3 | 140.2 | 164.2 | -67.9 | -60.6 | 0 | 0 | 0 | 116.7 | ||||
| 150 | H | 27.5 | Very low | 29.8 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 73% | 0.731 | 79% | 0.79 | S | S | * | * | cis | -156.3 | 153.4 | 5 | -110.9 | 107.1 | 0 | 0 | 0 | 107.8 | ||||
| 151 | S | 30.3 | Very low | 30 | Very low | 99 Ų | 99 | 152.4 Ų | 152.4 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -89.7 | 140.9 | 166.7 | 52.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 152 | D | 29.1 | Very low | 30.1 | Very low | 171 Ų | 171 | 150 Ų | 150 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | -159.2 | 160.6 | 152.1 | -103.3 | -29.7 | 0 | 0 | 0 | 113.1 | ||||
| 153 | S | 31.5 | Very low | 30.1 | Very low | 99 Ų | 99 | 147.4 Ų | 147.4 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -109 | 158.1 | -147.5 | -149.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 154 | L | 29.3 | Very low | 30.2 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | 61.9 | 127.2 | 154.9 | -67.9 | 165.8 | 0 | 0 | 0 | 120.6 | ||||
| 155 | L | 30.2 | Very low | 30 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | -158.7 | 140.9 | 116.3 | -97 | 178.2 | 0 | 0 | 0 | 112.2 | |||||
| 156 | D | 27.9 | Very low | 29.6 | Very low | 124 Ų | 124 | 153.2 Ų | 153.2 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | trans | -73.5 | 135.2 | -179.8 | 179.8 | 20.9 | 0 | 0 | 0 | 111.9 | ||||
| 157 | Y | 29.2 | Very low | 30 | Very low | 216 Ų | 216 | 150.5 Ų | 150.5 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -150.6 | 95.2 | 157.2 | -105.1 | -78.8 | 0 | 0 | 0 | 110.4 | ||||
| 158 | S | 29.3 | Very low | 30 | Very low | 103 Ų | 103 | 149.8 Ų | 149.8 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -68.5 | 129.1 | 157.5 | -81.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 159 | L | 30.1 | Very low | 30.1 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -153.5 | 101.7 | 154.4 | -103.8 | 165 | 0 | 0 | 0 | 112.2 | ||||
| 160 | K | 31.2 | Very low | 30.5 | Very low | 191 Ų | 191 | 151.6 Ų | 151.6 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | 34.4 | 117.7 | 141.6 | -74.2 | 174.1 | 175.5 | 177.7 | 0 | 120.3 | ||||
| 161 | Q | 32.8 | Very low | 30.8 | Very low | 186 Ų | 186 | 152 Ų | 152 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -66 | 156.4 | 147 | -64.9 | -168.8 | -34.7 | 0 | 0 | 111.4 | ||||
| 162 | P | 32.5 | Very low | 30.8 | Very low | 124 Ų | 124 | 156 Ų | 156 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -122 | 137.1 | 134 | 19.7 | -2.4 | 0 | 0 | 0 | 111.8 | ||||
| 163 | A | 28.5 | Very low | 31 | Very low | 88 Ų | 88 | 159.3 Ų | 159.3 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -76.5 | 139.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 164 | T | 30.7 | Very low | 31 | Very low | 128 Ų | 128 | 158.7 Ų | 158.7 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -164.7 | 125.5 | 145.6 | 42.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 165 | D | 28 | Very low | 31.1 | Very low | 154 Ų | 154 | 158.8 Ų | 158.8 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | 60.9 | 119.4 | 139.2 | -60.4 | -32 | 0 | 0 | 0 | 122.9 | ||||
| 166 | R | 30.1 | Very low | 31.1 | Very low | 240 Ų | 240 | 158.6 Ų | 158.6 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -83.3 | 136.1 | 154.5 | -160 | -165.9 | 177.4 | -179.5 | -0.6 | 107.2 | ||||
| 167 | P | 39.6 | Very low | 31.4 | Very low | 107 Ų | 107 | 158.3 Ų | 158.3 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | -139.8 | 179.5 | 91.8 | 37.4 | -19.5 | 0 | 0 | 0 | 108.5 | |||||
| 168 | E | 28.8 | Very low | 31.4 | Very low | 178 Ų | 178 | 152.8 Ų | 152.8 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | cis | -166.5 | 164.1 | 15.5 | -143 | 166.5 | -169.2 | 0 | 0 | 106.2 | ||||
| 169 | Y | 31 | Very low | 31.6 | Very low | 205 Ų | 205 | 154.2 Ų | 154.2 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -80.4 | 123.1 | -177.5 | -171.6 | -92.7 | 0 | 0 | 0 | 110.6 | ||||
| 170 | T | 32.6 | Very low | 31.6 | Very low | 138 Ų | 138 | 152.2 Ų | 152.2 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | trans | -146.4 | 132.8 | 159.1 | 33.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 171 | E | 34.3 | Very low | 31.7 | Very low | 167 Ų | 167 | 149 Ų | 149 | 78% | 0.78 | 82% | 0.817 | S | S | * | * | trans | -64.6 | 135 | 176.6 | -61.2 | 176.4 | 135.1 | 0 | 0 | 111.5 | ||||
| 172 | L | 31 | Very low | 31.5 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 95% | 0.948 | 82% | 0.817 | S | S | * | * | trans | -136.4 | 105.6 | 155.5 | -88.4 | 169.3 | 0 | 0 | 0 | 109.8 | ||||
| 173 | R | 32.3 | Very low | 31.4 | Very low | 241 Ų | 241 | 144.9 Ų | 144.9 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -90.3 | 132.4 | 170.6 | -156.6 | 177.4 | -171.2 | 173.1 | 1.9 | 108.2 | ||||
| 174 | A | 31.4 | Very low | 31.3 | Very low | 87 Ų | 87 | 149 Ų | 149 | 72% | 0.719 | 82% | 0.817 | S | S | * | * | trans | 76.6 | 114.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 175 | L | 31.6 | Very low | 31.1 | Very low | 156 Ų | 156 | 151 Ų | 151 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | -151.2 | 108.2 | 121.9 | -136.5 | 86.3 | 0 | 0 | 0 | 110.4 | T177 | L175-T177 HydrophobicContact CD2-CG2 4.49Š| |||
| 176 | N | 29.7 | Very low | 31.1 | Very low | 168 Ų | 168 | 151.2 Ų | 151.2 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -75.8 | 115.2 | 160.6 | -83.7 | -23.3 | 0 | 0 | 0 | 107.7 | ||||
| 177 | T | 33.8 | Very low | 31.2 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | trans | -140.5 | 126.4 | 153.4 | 41.3 | 0 | 0 | 0 | 0 | 109 | L175 | L175-T177 HydrophobicContact CD2-CG2 4.49Š| ||
| 178 | A | 30.2 | Very low | 30.8 | Very low | 100 Ų | 100 | 147 Ų | 147 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -70.5 | 136.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 179 | T | 32.5 | Very low | 30.7 | Very low | 133 Ų | 133 | 146 Ų | 146 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -147.1 | 110.1 | 144.6 | 32.3 | 0 | 0 | 0 | 0 | 108.6 | T181 | T179-T181 PolarHBondContact O-N 3.43Š| ||
| 180 | A | 31.6 | Very low | 30.6 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -70.3 | 115.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 181 | T | 32.2 | Very low | 30.5 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -134.1 | 110.9 | 158.1 | 25.6 | 0 | 0 | 0 | 0 | 107.6 | T179 V183 | T179-T181 PolarHBondContact O-N 3.43Å; T181-V183 PolarHBondContact O-N 3.29Å | ||
| 182 | A | 28.8 | Very low | 30.2 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | trans | -68.4 | 113.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 183 | V | 30 | Very low | 30.2 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | trans | -115.6 | 106.4 | 162.8 | -179.9 | 0 | 0 | 0 | 0 | 106.4 | T181 F185 | T181-V183 PolarHBondContact O-N 3.29Å; V183-F185 PolarHBondContact O-N 3.43Å | ||
| 184 | H | 27.5 | Very low | 29.9 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -53.8 | 120.5 | 164.3 | -112.5 | -103.8 | 0 | 0 | 0 | 108.3 | ||||
| 185 | F | 26 | Very low | 29.8 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | trans | -121.6 | 96.7 | 165.9 | -137.8 | -90.6 | 0 | 0 | 0 | 107.3 | V183 L187 | V183-F185 PolarHBondContact O-N 3.43Å; F185-L187 HydrophobicContact CD1-CD2 4.39Å; F185-L187 HydrophobicContact CD1-CG 4.48Å; F185-L187 PolarHBondContact O-N 3.41Å | ||
| 186 | E | 28.9 | Very low | 29.6 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -69.3 | 112.2 | 167.4 | -71.2 | -175 | 161.6 | 0 | 0 | 108.2 | ||||
| 187 | L | 30.7 | Very low | 29.6 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -89.8 | 98 | 166.6 | -77.1 | 167.4 | 0 | 0 | 0 | 108.3 | F185 N189 | F185-L187 HydrophobicContact CD1-CD2 4.39Å; F185-L187 HydrophobicContact CD1-CG 4.48Å; F185-L187 PolarHBondContact O-N 3.41Å; L187-N189 PolarHBondContact O-N 3.31Å | ||
| 188 | T | 31.4 | Very low | 29.4 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | trans | -70.4 | 100.9 | 162.2 | 51.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 189 | N | 27.8 | Very low | 29.4 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -110.3 | 90.2 | 162.9 | -95.8 | -19.2 | 0 | 0 | 0 | 109.1 | L187 | L187-N189 PolarHBondContact O-N 3.31Š| ||
| 190 | S | 28.4 | Very low | 29.4 | Very low | 102 Ų | 102 | 150 Ų | 150 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -92.2 | 91.3 | 170.1 | 37.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 191 | H | 30.5 | Very low | 29.3 | Very low | 193 Ų | 193 | 150.8 Ų | 150.8 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | trans | -111.3 | 89.5 | 158.5 | -93.8 | -162.1 | 0 | 0 | 0 | 108.8 | M193 | H191-M193 PolarHBondContact O-N 2.83Š| ||
| 192 | H | 28.4 | Very low | 29.2 | Very low | 186 Ų | 186 | 151.7 Ų | 151.7 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -72.9 | 111.5 | 167.4 | -120.1 | -70.6 | 0 | 0 | 0 | 108.6 | ||||
| 193 | M | 30.4 | Very low | 29.3 | Very low | 165 Ų | 165 | 155 Ų | 155 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -107.4 | 108.6 | 160 | -84.1 | -75.5 | -165.6 | 0 | 0 | 107.4 | H191 | H191-M193 PolarHBondContact O-N 2.83Š| ||
| 194 | G | 25.7 | Very low | 29.5 | Very low | 73 Ų | 73 | 157.7 Ų | 157.7 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -72.6 | 128.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 195 | Y | 30.1 | Very low | 29.4 | Very low | 211 Ų | 211 | 155 Ų | 155 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -93.8 | 117.2 | 165.6 | -65.1 | -84.7 | 0 | 0 | 0 | 108.8 | I197 | Y195-I197 PolarHBondContact O-N 3.1Š| ||
| 196 | K | 27.1 | Very low | 29.6 | Very low | 208 Ų | 208 | 152.1 Ų | 152.1 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | -78.3 | 108.1 | 167.2 | -99.1 | 179.7 | 175.9 | 175.7 | 0 | 108.6 | ||||
| 197 | I | 30.6 | Very low | 29.5 | Very low | 147 Ų | 147 | 153.2 Ų | 153.2 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | -84.9 | 119.3 | 163 | -57.6 | 172.9 | 0 | 0 | 0 | 106.5 | Y195 T199 | Y195-I197 PolarHBondContact O-N 3.1Å; I197-T199 HydrophobicContact CG2-CG2 4.13Å | ||
| 198 | K | 28.6 | Very low | 29.6 | Very low | 192 Ų | 192 | 155.5 Ų | 155.5 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -90.8 | 108.7 | 164.7 | -78.8 | -175.3 | 177.4 | -177.5 | 0 | 107.7 | ||||
| 199 | T | 30.3 | Very low | 29.6 | Very low | 115 Ų | 115 | 154.9 Ų | 154.9 | 71% | 0.706 | 82% | 0.823 | S | S | * | * | trans | -88.2 | 116.2 | 163.7 | 49.4 | 0 | 0 | 0 | 0 | 107.9 | I197 | I197-T199 HydrophobicContact CG2-CG2 4.13Š| ||
| 200 | E | 31.4 | Very low | 29.6 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | -90.1 | 108.3 | 164.5 | -78.2 | -178.8 | 177.9 | 0 | 0 | 108.5 | ||||
| 201 | T | 30.4 | Very low | 29.7 | Very low | 122 Ų | 122 | 154 Ų | 154 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | trans | -85.3 | 127.1 | 164.4 | 44.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 202 | T | 30.8 | Very low | 29.6 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 87% | 0.871 | 82% | 0.824 | S | S | * | * | trans | -135.6 | 118.6 | 153.4 | 34.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 203 | E | 30.9 | Very low | 30 | Very low | 176 Ų | 176 | 151.7 Ų | 151.7 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -84.9 | 135.1 | 175.7 | -74.1 | -179 | 148.2 | 0 | 0 | 111.3 | ||||
| 204 | Q | 34.6 | Very low | 29.9 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 48 | 125.4 | 135.7 | -68.4 | 176.3 | -15.1 | 0 | 0 | 122.1 | ||||
| 205 | S | 24.5 | Very low | 30.2 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | -152 | 127.1 | 123.6 | -171.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 206 | C | 29.3 | Very low | 30.2 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 75% | 0.75 | 80% | 0.803 | S | S | * | * | trans | -80.5 | 140.7 | 173.8 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 207 | M | 27.9 | Very low | 30.4 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 89% | 0.892 | 80% | 0.796 | S | S | * | * | trans | -153.1 | 115.6 | 144.2 | -71.6 | -158.3 | -177.5 | 0 | 0 | 111.2 | ||||
| 208 | M | 33 | Very low | 30.4 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | trans | 36.5 | 142.6 | 142.2 | -52.6 | -61.5 | -90.3 | 0 | 0 | 124.3 | ||||
| 209 | A | 31.6 | Very low | 30.7 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | trans | -43 | 157.5 | 175 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 210 | G | 27.3 | Very low | 31 | Very low | 76 Ų | 76 | 146.5 Ų | 146.5 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | 170.2 | 124.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 211 | D | 30.9 | Very low | 31.1 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -70.3 | 164.6 | -170.5 | -61.8 | -65.7 | 0 | 0 | 0 | 117.7 | ||||
| 212 | F | 27.4 | Very low | 31.1 | Very low | 185 Ų | 185 | 148 Ų | 148 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | 88.7 | 114.6 | 137.3 | -124.2 | -117 | 0 | 0 | 0 | 122.4 | ||||
| 213 | M | 38.1 | Very low | 31.2 | Very low | 146 Ų | 146 | 153.1 Ų | 153.1 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | 63.5 | 125.7 | 137.6 | -75.7 | -86.8 | -89.7 | 0 | 0 | 122.4 | ||||
| 214 | G | 27.4 | Very low | 31.1 | Very low | 63 Ų | 63 | 149.9 Ų | 149.9 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | 157.3 | 89 | 145.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 215 | H | 31.3 | Very low | 31 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 38.9 | 140.3 | 138.3 | -62.9 | -83 | 0 | 0 | 0 | 120.8 | ||||
| 216 | T | 31.4 | Very low | 31.4 | Very low | 110 Ų | 110 | 152.7 Ų | 152.7 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | cis | 175.7 | 156 | 3.9 | 26.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 217 | Y | 30.2 | Very low | 31.5 | Very low | 196 Ų | 196 | 153.4 Ų | 153.4 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 72.6 | 139.8 | 143.9 | -112.1 | -140.6 | 0 | 0 | 0 | 119.4 | ||||
| 218 | E | 31.9 | Very low | 31.7 | Very low | 103 Ų | 103 | 149.9 Ų | 149.9 | 48% | 0.481 | 79% | 0.793 | S | S | . | * | cis | -161.6 | 128.3 | 16.1 | -158.5 | 178 | -164.8 | 0 | 0 | 110.7 | K220 | E218-K220 WeakPolarHBondContact OE2-CE 3.2Å; E218-K220 IonicContact OE2-NZ 3.78Å | ||
| 219 | Q | 33.8 | Very low | 31.5 | Very low | 189 Ų | 189 | 150.1 Ų | 150.1 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -83.8 | 128.3 | 158.9 | -81 | 175.9 | -14.3 | 0 | 0 | 108.2 | ||||
| 220 | K | 37.6 | Very low | 31.6 | Very low | 177 Ų | 177 | 149.9 Ų | 149.9 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -101.2 | 111.9 | 168.5 | -85.5 | 179.5 | 179.1 | 168.3 | 0 | 111.4 | E218 | E218-K220 WeakPolarHBondContact OE2-CE 3.2Å; E218-K220 IonicContact OE2-NZ 3.78Å | ||
| 221 | H | 32.2 | Very low | 32 | Very low | 173 Ų | 173 | 153 Ų | 153 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | -91.6 | 148.9 | 169.7 | -141.8 | 86.3 | 0 | 0 | 0 | 109.9 | ||||
| 222 | M | 31.4 | Very low | 32.1 | Very low | 166 Ų | 166 | 154.3 Ų | 154.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -57.6 | 140.6 | 175.1 | -70.3 | 176.8 | -84.5 | 0 | 0 | 113 | ||||
| 223 | R | 33.3 | Very low | 32.6 | Very low | 250 Ų | 250 | 152.2 Ų | 152.2 | 94% | 0.943 | 77% | 0.774 | S | S | * | * | trans | -148.9 | 136.1 | 147.9 | -95.2 | -177.9 | -174.6 | 172.6 | 0.3 | 113 | ||||
| 224 | S | 28.4 | Very low | 32.3 | Very low | 109 Ų | 109 | 153 Ų | 153 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -65.9 | 147.2 | 174.8 | -167.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 225 | M | 32.3 | Very low | 32.5 | Very low | 187 Ų | 187 | 155.8 Ų | 155.8 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -121.2 | 112.3 | 172.2 | -78.9 | -88.6 | -108.3 | 0 | 0 | 109.7 | ||||
| 226 | H | 31.8 | Very low | 32.4 | Very low | 163 Ų | 163 | 152 Ų | 152 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -99.2 | 134.4 | 166 | -114.9 | -105.7 | 0 | 0 | 0 | 108.9 | ||||
| 227 | T | 33.1 | Very low | 32.4 | Very low | 126 Ų | 126 | 156 Ų | 156 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 53.1 | 120.3 | 149.6 | 32.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 228 | A | 30.4 | Very low | 32.3 | Very low | 108 Ų | 108 | 149.6 Ų | 149.6 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -152.8 | 126.1 | 132.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 229 | F | 29.5 | Very low | 32.2 | Very low | 193 Ų | 193 | 155.1 Ų | 155.1 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -73.9 | 140.3 | 171.1 | -123.2 | -104.3 | 0 | 0 | 0 | 109.9 | ||||
| 230 | A | 34.6 | Very low | 31.9 | Very low | 101 Ų | 101 | 150 Ų | 150 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -152.2 | 121.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 231 | H | 34.9 | Very low | 31.5 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | -54.3 | 140.8 | 170.7 | -106.3 | -117.9 | 0 | 0 | 0 | 112.9 | ||||
| 232 | H | 33.5 | Very low | 31.5 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | -156.4 | 119.6 | 133 | -120.2 | -77.8 | 0 | 0 | 0 | 110.7 | ||||
| 233 | Q | 36.8 | Very low | 31.5 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 66% | 0.659 | 79% | 0.794 | S | S | * | * | trans | -80.2 | 149.2 | 166.4 | -64.3 | 178.1 | 2.5 | 0 | 0 | 108.8 | ||||
| 234 | H | 33 | Very low | 31.4 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | 179.8 | 121.5 | 122.9 | -98.1 | -69.8 | 0 | 0 | 0 | 112.5 | |||||
| 235 | T | 30.8 | Very low | 31.5 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 56 | 106.8 | 140 | 34.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 236 | A | 29.8 | Very low | 31.5 | Very low | 85 Ų | 85 | 143.7 Ų | 143.7 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | 38 | 122.8 | 118 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 237 | H | 31.3 | Very low | 31.4 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | -159.9 | 122.4 | 123.4 | -95.8 | -74 | 0 | 0 | 0 | 108.5 | |||||
| 238 | G | 28.5 | Very low | 31.2 | Very low | 63 Ų | 63 | 140.5 Ų | 140.5 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | -80.5 | 163 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 239 | F | 28.2 | Very low | 31 | Very low | 218 Ų | 218 | 140.3 Ų | 140.3 | 96% | 0.956 | 77% | 0.769 | S | S | * | * | trans | -162.1 | 145.4 | 138.7 | -100.8 | -72.5 | 0 | 0 | 0 | 109.4 | ||||
| 240 | A | 29.2 | Very low | 31.1 | Very low | 81 Ų | 81 | 141.7 Ų | 141.7 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | trans | -86.7 | 158.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 241 | S | 29.2 | Very low | 30.9 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | 56.8 | 122.7 | 142.3 | -60.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 242 | H | 31.4 | Very low | 30.7 | Very low | 189 Ų | 189 | 140.3 Ų | 140.3 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | -152.9 | 123.7 | 121.1 | -132.5 | -81.8 | 0 | 0 | 0 | 112.5 | |||||
| 243 | D | 30.9 | Very low | 30.7 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | -65.6 | 145.3 | 161.6 | -104.1 | -61.2 | 0 | 0 | 0 | 111.1 | ||||
| 244 | M | 31.4 | Very low | 30.5 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 84% | 0.837 | 78% | 0.775 | S | S | * | * | trans | -164.5 | 92.7 | 138.9 | -164 | 93.5 | 98 | 0 | 0 | 111.2 | ||||
| 245 | Q | 30.4 | Very low | 30.6 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | 21.2 | 150.4 | 129.6 | -65.2 | 168.7 | -9.2 | 0 | 0 | 122.9 | |||||
| 246 | Q | 32.1 | Very low | 30.8 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 106.4 | 131.9 | 153.3 | -59.2 | -172.9 | 13.8 | 0 | 0 | 114.9 | ||||
| 247 | S | 30.4 | Very low | 30.9 | Very low | 98 Ų | 98 | 147.3 Ų | 147.3 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | cis | -169.8 | 132.6 | 0.8 | 36.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 248 | V | 28.1 | Very low | 31 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | 43.4 | 119.4 | 129.3 | -153.7 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 249 | S | 27.5 | Very low | 31.1 | Very low | 104 Ų | 104 | 150.1 Ų | 150.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | 170.6 | 113.7 | 113.1 | -73.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 250 | R | 31.6 | Very low | 31.3 | Very low | 222 Ų | 222 | 146.7 Ų | 146.7 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | 66.6 | 123.9 | 93.4 | -88.3 | -175.4 | 174.2 | 176.2 | -2.9 | 111.6 | |||||
| 251 | D | 29.7 | Very low | 31.3 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | cis | -150.5 | 164.8 | 37.1 | -66.9 | -57.2 | 0 | 0 | 0 | 109.3 | ||||
| 252 | G | 30.8 | Very low | 31.4 | Very low | 57 Ų | 57 | 151.1 Ų | 151.1 | 59% | 0.588 | 80% | 0.803 | S | S | * | * | cis | 158.3 | 139.6 | 9.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 253 | M | 34.5 | Very low | 31.6 | Very low | 199 Ų | 199 | 150.4 Ų | 150.4 | 98% | 0.98 | 80% | 0.804 | S | S | * | * | trans | 61 | 135.4 | 165.3 | -73.2 | 91.4 | 173 | 0 | 0 | 119.3 | ||||
| 254 | G | 31.9 | Very low | 31.6 | Very low | 75 Ų | 75 | 148.6 Ų | 148.6 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | cis | -170.1 | 149.1 | 13 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 255 | R | 34.2 | Very low | 31.6 | Very low | 223 Ų | 223 | 145.2 Ų | 145.2 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -70.7 | 149.1 | 177.8 | -61 | 174.6 | -177.9 | 175.8 | -1.9 | 111.5 | ||||
| 256 | K | 36.3 | Very low | 31.7 | Very low | 212 Ų | 212 | 146.5 Ų | 146.5 | 92% | 0.922 | 80% | 0.801 | S | S | * | * | trans | -143.2 | 111 | 136.6 | -71.5 | -166.6 | -179.6 | 177.3 | 0 | 109 | ||||
| 257 | D | 32.2 | Very low | 31.8 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | -77.7 | 140.1 | 166.5 | -57.8 | -59.8 | 0 | 0 | 0 | 109.1 | ||||
| 258 | C | 32.8 | Very low | 32 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | trans | -142.9 | 145 | 158.1 | -83.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 259 | H | 31.1 | Very low | 32.2 | Very low | 181 Ų | 181 | 152 Ų | 152 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -67.6 | 148.1 | -157.4 | -85.2 | -76.9 | 0 | 0 | 0 | 118.5 | ||||
| 260 | L | 31.2 | Very low | 32.4 | Very low | 146 Ų | 146 | 151.1 Ų | 151.1 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -0.3 | 131.6 | 136.8 | -72.8 | 159.4 | 0 | 0 | 0 | 118.8 | ||||
| 261 | A | 30.7 | Very low | 32.5 | Very low | 105 Ų | 105 | 148.3 Ų | 148.3 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -153.4 | 114.1 | 132.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 262 | E | 29.5 | Very low | 32.8 | Very low | 179 Ų | 179 | 149 Ų | 149 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -79.4 | 136.9 | 166.4 | -70.5 | 174.1 | 140.4 | 0 | 0 | 109.9 | ||||
| 263 | I | 35.7 | Very low | 32.8 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 89% | 0.892 | 80% | 0.804 | S | S | * | * | trans | -136.5 | 128.4 | 146.9 | -61.7 | -176.6 | 0 | 0 | 0 | 108.3 | ||||
| 264 | S | 30.7 | Very low | 33 | Very low | 100 Ų | 100 | 150 Ų | 150 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -82.5 | 143.6 | -176.7 | -174.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 265 | S | 31.8 | Very low | 33.3 | Very low | 100 Ų | 100 | 150.9 Ų | 150.9 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | 152.8 | 125.7 | 113.9 | 63.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 266 | H | 33.6 | Very low | 33.2 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | 38.2 | 116.5 | 142.7 | -73.7 | -76.3 | 0 | 0 | 0 | 122 | ||||
| 267 | H | 33.3 | Very low | 32.9 | Very low | 189 Ų | 189 | 148.3 Ų | 148.3 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | -160.8 | 145.1 | 104.3 | -140.1 | 2.2 | 0 | 0 | 0 | 112.1 | |||||
| 268 | Q | 35.7 | Very low | 33 | Very low | 151 Ų | 151 | 153 Ų | 153 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -91.4 | 135.8 | -176.7 | -68.9 | 163.8 | -43.4 | 0 | 0 | 110.6 | ||||
| 269 | H | 32.2 | Very low | 32.9 | Very low | 172 Ų | 172 | 151.2 Ų | 151.2 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | 174.9 | 120.5 | 112.9 | -104.1 | 167.5 | 0 | 0 | 0 | 112.7 | |||||
| 270 | S | 30.1 | Very low | 33.4 | Very low | 87 Ų | 87 | 148.4 Ų | 148.4 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | 75.9 | 125.9 | 127.4 | -48.3 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 271 | H | 34.3 | Very low | 33.6 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | 97.9 | 99.1 | 152.9 | -67.9 | -74.5 | 0 | 0 | 0 | 121.2 | ||||
| 272 | M | 35.3 | Very low | 34.2 | Very low | 170 Ų | 170 | 152.8 Ų | 152.8 | 84% | 0.837 | 79% | 0.794 | S | S | * | * | 75.3 | 94.3 | 123.5 | -67.6 | -179.5 | 151.9 | 0 | 0 | 121 | |||||
| 273 | A | 31.2 | Very low | 34.9 | Very low | 90 Ų | 90 | 149.8 Ų | 149.8 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | 43.9 | 105.6 | 117.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 274 | H | 38.4 | Very low | 34.8 | Very low | 186 Ų | 186 | 150.6 Ų | 150.6 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | 77.9 | 155.3 | 124.9 | -91.2 | -53 | 0 | 0 | 0 | 121.7 | |||||
| 275 | P | 39.4 | Very low | 34.8 | Very low | 95 Ų | 95 | 157.2 Ų | 157.2 | 62% | 0.617 | 80% | 0.801 | S | S | * | * | trans | -116.9 | 156.4 | -136.5 | 17.4 | 9.2 | 0 | 0 | 0 | 111.4 | Q277 | P275-Q277 PolarHBondContact O-N 3.3Š| ||
| 276 | Q | 30.8 | Very low | 34.7 | Very low | 200 Ų | 200 | 156.8 Ų | 156.8 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | trans | -85.1 | 110.2 | 167.8 | -74.2 | -159.9 | -23.4 | 0 | 0 | 110.5 | ||||
| 277 | Q | 31.8 | Very low | 34.6 | Very low | 180 Ų | 180 | 156.6 Ų | 156.6 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 148.6 | 168.6 | -69.9 | 176.4 | -29.4 | 0 | 0 | 110.8 | P275 | P275-Q277 PolarHBondContact O-N 3.3Š|
| 278 | Y | 33 | Very low | 34.6 | Very low | 236 Ų | 236 | 156.6 Ų | 156.6 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 134.9 | 174.2 | -80 | -105.6 | 0 | 0 | 0 | 113.4 | ||
| 279 | A | 31.9 | Very low | 34.4 | Very low | 97 Ų | 97 | 157.7 Ų | 157.7 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 134.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 280 | P | 41.3 | Very low | 34.3 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 159.4 | -177.9 | 35.3 | -33.2 | 0 | 0 | 0 | 114.2 | ||
| 281 | Y | 35.3 | Very low | 34.4 | Very low | 227 Ų | 227 | 157.9 Ų | 157.9 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -54 | 154.9 | 176.9 | -75.1 | -94.3 | 0 | 0 | 0 | 115 | ||
| 282 | P | 43.2 | Very low | 34.4 | Very low | 116 Ų | 116 | 159.5 Ų | 159.5 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 151.1 | 179.4 | 33 | -33.3 | 0 | 0 | 0 | 113.4 | ||
| 283 | P | 44.4 | Very low | 34.2 | Very low | 116 Ų | 116 | 160.1 Ų | 160.1 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 160.6 | -169.6 | 34.1 | -34 | 0 | 0 | 0 | 114.8 | ||
| 284 | Q | 32.6 | Very low | 34.2 | Very low | 191 Ų | 191 | 167.1 Ų | 167.1 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 137 | -179.7 | -59.2 | 167.4 | 8 | 0 | 0 | 110.5 | ||
| 285 | Y | 30.4 | Very low | 33.8 | Very low | 238 Ų | 238 | 161.5 Ų | 161.5 | 93% | 0.933 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 124 | 175.4 | -80.7 | -91 | 0 | 0 | 0 | 111 | ||
| 286 | A | 30.6 | Very low | 33.4 | Very low | 91 Ų | 91 | 165.2 Ų | 165.2 | 75% | 0.752 | 84% | 0.842 | S | S | * | * | trans | -105.4 | 154.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 287 | H | 30.8 | Very low | 33.3 | Very low | 170 Ų | 170 | 164.9 Ų | 164.9 | 79% | 0.787 | 84% | 0.838 | S | S | * | * | trans | -38.4 | 139.7 | -178.8 | -90.1 | -96.2 | 0 | 0 | 0 | 117.5 | ||||
| 288 | H | 33 | Very low | 33.3 | Very low | 189 Ų | 189 | 166.1 Ų | 166.1 | 88% | 0.875 | 83% | 0.834 | S | S | * | * | trans | -121 | 117.4 | 147 | -96.3 | -82.2 | 0 | 0 | 0 | 109.5 | ||||
| 289 | Q | 31.5 | Very low | 33.3 | Very low | 175 Ų | 175 | 162.6 Ų | 162.6 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -78.7 | 135 | 164.1 | -71.2 | 174.2 | -17.5 | 0 | 0 | 108.3 | ||||
| 290 | G | 31 | Very low | 33.5 | Very low | 78 Ų | 78 | 163.9 Ų | 163.9 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -142 | 98 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 291 | E | 31.4 | Very low | 33 | Very low | 184 Ų | 184 | 167 Ų | 167 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | trans | -72.4 | 126.8 | 174 | -62 | 176.9 | 140.5 | 0 | 0 | 109.1 | ||||
| 292 | Q | 34.7 | Very low | 33 | Very low | 198 Ų | 198 | 166.5 Ų | 166.5 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -133.5 | 120.3 | 152.5 | -74 | -158.5 | 2.8 | 0 | 0 | 109.4 | ||||
| 293 | Q | 30.8 | Very low | 32.7 | Very low | 183 Ų | 183 | 167.4 Ų | 167.4 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | trans | -107.6 | 116.9 | -173.3 | -176.5 | -177 | 4.8 | 0 | 0 | 108.3 | ||||
| 294 | Y | 32.7 | Very low | 32.1 | Very low | 237 Ų | 237 | 169.1 Ų | 169.1 | 93% | 0.929 | 83% | 0.83 | S | S | * | * | trans | -151.9 | 127.2 | 156.4 | -88.8 | -87 | 0 | 0 | 0 | 103.5 | ||||
| 295 | G | 30 | Very low | 32.4 | Very low | 67 Ų | 67 | 168.7 Ų | 168.7 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | cis | 148.9 | 89.2 | 16.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 296 | M | 31 | Very low | 33 | Very low | 173 Ų | 173 | 163.6 Ų | 163.6 | 85% | 0.852 | 82% | 0.824 | S | S | * | * | trans | 27.1 | 128.5 | 157.9 | -56.6 | -73.6 | -105.9 | 0 | 0 | 119.7 | ||||
| 297 | F | 28.7 | Very low | 33 | Very low | 194 Ų | 194 | 164.4 Ų | 164.4 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | -169.3 | 138.5 | 118.5 | -103.5 | -77.6 | 0 | 0 | 0 | 112.3 | |||||
| 298 | R | 31.8 | Very low | 33.3 | Very low | 205 Ų | 205 | 164.7 Ų | 164.7 | 77% | 0.774 | 83% | 0.828 | S | S | * | * | trans | -28.2 | 155.8 | 170.8 | -59.6 | 175.7 | -180 | -156.9 | -0.1 | 115.9 | ||||
| 299 | E | 31.6 | Very low | 34 | Very low | 162 Ų | 162 | 161 Ų | 161 | 76% | 0.757 | 82% | 0.821 | S | S | * | * | cis | -173.5 | 160.5 | 28.1 | -128.2 | 169.1 | -143 | 0 | 0 | 107.7 | ||||
| 300 | P | 36.3 | Very low | 34 | Very low | 125 Ų | 125 | 155.9 Ų | 155.9 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -88.2 | 116.2 | 178.2 | 31.6 | -29.4 | 0 | 0 | 0 | 113.1 | R302 | P300-R302 PolarHBondContact O-N 3.35Š| ||
| 301 | M | 30.9 | Very low | 34.2 | Very low | 188 Ų | 188 | 160.7 Ų | 160.7 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | trans | -76.4 | 113.4 | 165.7 | -96.6 | -167.3 | -167.6 | 0 | 0 | 110.7 | ||||
| 302 | R | 35.9 | Very low | 34.4 | Very low | 217 Ų | 217 | 159 Ų | 159 | 82% | 0.819 | 82% | 0.816 | S | S | * | * | trans | -61.6 | 124.8 | 156.3 | -74.1 | 177.6 | -173.5 | 160 | 2.8 | 108.6 | P300 | P300-R302 PolarHBondContact O-N 3.35Š| ||
| 303 | V | 35.7 | Very low | 34.4 | Very low | 134 Ų | 134 | 157.8 Ų | 157.8 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -91.5 | 108.7 | 166.8 | -159.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 304 | H | 32.8 | Very low | 34.9 | Very low | 152 Ų | 152 | 154.7 Ų | 154.7 | 70% | 0.704 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69 | 134.8 | 172.6 | -85.9 | -95.9 | 0 | 0 | 0 | 110.7 | ||
| 305 | H | 39.6 | Very low | 35.3 | Very low | 183 Ų | 183 | 149 Ų | 149 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 138.1 | 165.2 | -54.8 | -101.6 | 0 | 0 | 0 | 110.1 | ||
| 306 | P | 42.5 | Very low | 35.7 | Very low | 130 Ų | 130 | 151.8 Ų | 151.8 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 120.4 | 162.7 | -2.8 | 21.2 | 0 | 0 | 0 | 110.7 | ||
| 307 | S | 31 | Very low | 36.2 | Very low | 108 Ų | 108 | 149.2 Ų | 149.2 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 141.5 | 164 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 308 | M | 36.7 | Very low | 36.9 | Very low | 177 Ų | 177 | 145.4 Ų | 145.4 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -133.6 | 151.6 | 157.7 | -86.1 | -70.6 | 175.1 | 0 | 0 | 109.3 | ||||
| 309 | P | 46.7 | Very low | 37.9 | Very low | 112 Ų | 112 | 141 Ų | 141 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -99 | 158.4 | -143.2 | 36.2 | -35.9 | 0 | 0 | 0 | 116.7 | ||||
| 310 | G | 32.4 | Very low | 38.2 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | -11 | 130.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 311 | L | 34.7 | Very low | 38.5 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | trans | -121.9 | 121.9 | 137.6 | -74 | 175.9 | 0 | 0 | 0 | 108.8 | ||||
| 312 | I | 36.8 | Very low | 38.5 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -80.6 | 119.5 | 177.2 | -63.5 | 166.9 | 0 | 0 | 0 | 107.1 | T314 | I312-T314 HydrophobicContact CG2-CG2 4.48Š| ||
| 313 | L | 34.9 | Very low | 38.8 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -129 | 117.3 | 155.5 | -73.1 | 174.7 | 0 | 0 | 0 | 107.7 | ||||
| 314 | T | 39.8 | Very low | 39 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 144.6 | 178.6 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | I312 | I312-T314 HydrophobicContact CG2-CG2 4.48Š|
| 315 | P | 41 | Very low | 39.6 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 143.1 | 178 | 33.4 | -32.2 | 0 | 0 | 0 | 111.7 | ||
| 316 | P | 39.6 | Very low | 40 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 127 | 163.6 | 31.1 | -27.2 | 0 | 0 | 0 | 111 | ||
| 317 | S | 40.9 | Very low | 40.1 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -26.1 | 127.5 | 167.6 | -38.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 318 | S | 44.1 | Very low | 41.2 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -61.7 | 158.2 | 155 | -50 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 319 | P | 51.7 | Low | 42 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | -149.8 | 168.5 | 85.6 | 43.9 | -25.9 | 0 | 0 | 0 | 111.3 | |||||
| 320 | L | 39.1 | Very low | 42 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | cis | -156 | 146.5 | 31.2 | -80.9 | 167.6 | 0 | 0 | 0 | 109.4 | ||||
| 321 | L | 41.1 | Very low | 42.7 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | 5.3 | 118.5 | 145.9 | -72.6 | 144.9 | 0 | 0 | 0 | 119.1 | F323 | L321-F323 HydrophobicContact CD2-CD2 3.39Å; L321-F323 HydrophobicContact CD2-CE2 3.29Å | ||
| 322 | E | 32.3 | Very low | 43.3 | Very low | 195 Ų | 195 | 144 Ų | 144 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | -140 | 114.2 | 123.9 | -142.9 | 159.3 | -152.4 | 0 | 0 | 110.2 | |||||
| 323 | F | 41.9 | Very low | 43.8 | Very low | 169 Ų | 169 | 148.2 Ų | 148.2 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -64.5 | 123.5 | 167 | -87.9 | -102.6 | 0 | 0 | 0 | 108.8 | L321 | L321-F323 HydrophobicContact CD2-CD2 3.39Å; L321-F323 HydrophobicContact CD2-CE2 3.29Å | ||
| 324 | Y | 39.8 | Very low | 44.2 | Very low | 236 Ų | 236 | 142.7 Ų | 142.7 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | -144 | 129.3 | 136.6 | -112.2 | -86.5 | 0 | 0 | 0 | 109.4 | ||||
| 325 | A | 44.6 | Very low | 44.7 | Very low | 79 Ų | 79 | 148.9 Ų | 148.9 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | trans | -65.1 | 159.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E327 | A325-E327 PolarHBondContact O-N 3.35Š| ||
| 326 | P | 48.3 | Very low | 45.1 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -68.3 | 121.6 | 172.8 | 4.5 | 10 | 0 | 0 | 0 | 108.7 | D328 | P326-D328 PolarHBondContact O-N 3.41Š| ||
| 327 | E | 45.4 | Very low | 45.8 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | -71.9 | 76.9 | 165.5 | -72.7 | -121 | 155.7 | 0 | 0 | 109.4 | A325 S329 | A325-E327 PolarHBondContact O-N 3.35Å; E327-S329 PolarHBondContact O-N 3.09Å | ||
| 328 | D | 54 | Low | 46.1 | Very low | 153 Ų | 153 | 156.9 Ų | 156.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -63.6 | 81.8 | 155.2 | -92.6 | -43.4 | 0 | 0 | 0 | 109.1 | P326 | P326-D328 PolarHBondContact O-N 3.41Š| ||
| 329 | S | 54 | Low | 46.8 | Very low | 80 Ų | 80 | 155.2 Ų | 155.2 | 56% | 0.559 | 77% | 0.773 | S | S | * | * | trans | -156.1 | 51.7 | 162.7 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | E327 P331 | E327-S329 PolarHBondContact O-N 3.09Å; S329-P331 VanDerWaalsContact O-CD 3.24Å; S329-P331 WeakPolarHBondContact O-CD 3.48Å; S329-P331 VanDerWaalsContact O-N 3.09Å | ||
| 330 | K | 46.8 | Very low | 47.4 | Very low | 197 Ų | 197 | 159.4 Ų | 159.4 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -58.1 | 117.7 | 152.5 | -72.6 | -179.1 | -176.7 | 174.6 | 0 | 106.2 | K332 | K330-K332 PolarHBondContact O-N 2.86Š| ||
| 331 | P | 45.5 | Very low | 48.5 | Very low | 110 Ų | 110 | 161.5 Ų | 161.5 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -57.2 | 120.9 | 176.6 | 22.5 | -30.7 | 0 | 0 | 0 | 105.9 | S329 R333 | S329-P331 VanDerWaalsContact O-CD 3.24Å; S329-P331 WeakPolarHBondContact O-CD 3.48Å; S329-P331 VanDerWaalsContact O-N 3.09Å; P331-R333 PolarHBondContact O-N 3.09Å | ||
| 332 | K | 48.4 | Very low | 49.8 | Very low | 208 Ų | 208 | 164.8 Ų | 164.8 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | trans | -52.1 | 100.8 | 167.5 | -75.4 | 178.2 | 179.8 | 172.6 | 0 | 104.4 | K330 G334 | K330-K332 PolarHBondContact O-N 2.86Å; K332-G334 PolarHBondContact O-N 3.22Å | ||
| 333 | R | 46.3 | Very low | 52.2 | Low | 238 Ų | 238 | 160.5 Ų | 160.5 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -60.2 | 91.4 | 168.8 | -80.5 | -172.2 | -84.6 | -152.2 | -3.7 | 103.5 | P331 R335 | P331-R333 PolarHBondContact O-N 3.09Å; R333-R335 PolarHBondContact O-N 3.24Å; R333-R335 VanDerWaalsContact O-N 3.13Å | ||
| 334 | G | 43.3 | Very low | 54.1 | Low | 56 Ų | 56 | 154.6 Ų | 154.6 | 58% | 0.577 | 75% | 0.751 | S | S | * | * | trans | -48.2 | 127.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 105 | K332 R336 | K332-G334 PolarHBondContact O-N 3.22Å; G334-R336 PolarHBondContact O-N 2.95Å | ||
| 335 | R | 50.3 | Low | 56.3 | Low | 246 Ų | 246 | 148 Ų | 148 | 93% | 0.928 | 74% | 0.735 | S | S | * | * | trans | -55.5 | 97.1 | 171.4 | -71.7 | -165.4 | -154.1 | -118.8 | 7.9 | 105.1 | R333 S337 | R333-R335 PolarHBondContact O-N 3.24Å; R333-R335 VanDerWaalsContact O-N 3.13Å; R335-S337 PolarHBondContact O-N 3.49Å | ||
| 336 | R | 50.8 | Low | 58.5 | Low | 216 Ų | 216 | 147.2 Ų | 147.2 | 82% | 0.815 | 72% | 0.718 | S | S | * | * | trans | -63.9 | 100.1 | 167.5 | -68.3 | -172.8 | -127 | -127.2 | 3.2 | 102.9 | G334 W338 | G334-R336 PolarHBondContact O-N 2.95Å; R336-W338 PolarHBondContact O-N 3.28Å | ||
| 337 | S | 52.4 | Low | 60.6 | Low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | trans | -69.2 | 77.7 | 168.9 | 56.4 | 0 | 0 | 0 | 0 | 106.4 | R335 A339 | R335-S337 PolarHBondContact O-N 3.49Å; S337-A339 PolarHBondContact O-N 3.13Å | ||
| 338 | W | 48.6 | Very low | 62.9 | Low | 208 Ų | 208 | 136.6 Ų | 136.6 | 79% | 0.788 | 67% | 0.666 | S | S | * | * | trans | -70.4 | 41.9 | 160.6 | -92.1 | 42.6 | 0 | 0 | 0 | 110 | R336 R340 | R336-W338 PolarHBondContact O-N 3.28Å; W338-R340 PolarHBondContact O-N 3.21Å | ||
| 339 | A | 58.5 | Low | 64.6 | Low | 79 Ų | 79 | 137.7 Ų | 137.7 | 65% | 0.653 | 67% | 0.666 | S | S | * | * | trans | -69.8 | 76.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | S337 K341 | S337-A339 PolarHBondContact O-N 3.13Å; A339-K341 VanDerWaalsContact C-N 3.31Å; A339-K341 PolarHBondContact O-N 3.42Å | ||
| 340 | R | 63.4 | Low | 66.4 | Low | 201 Ų | 201 | 138.3 Ų | 138.3 | 76% | 0.758 | 66% | 0.659 | S | S | * | * | trans | -51 | 109.6 | 154.9 | -84.7 | -177.2 | 175.2 | -176.4 | -1.9 | 104.3 | W338 R342 | W338-R340 PolarHBondContact O-N 3.21Å; R340-R342 PolarHBondContact O-N 2.81Å | ||
| 341 | K | 63.4 | Low | 68.5 | Low | 194 Ų | 194 | 134.3 Ų | 134.3 | 84% | 0.843 | 65% | 0.653 | S | S | * | * | trans | -56.8 | 99.1 | 169.3 | -70.7 | 177.5 | -176.6 | 177 | 0 | 104.5 | A339 T343 | A339-K341 VanDerWaalsContact C-N 3.31Å; A339-K341 PolarHBondContact O-N 3.42Å; K341-T343 VanDerWaalsContact C-N 3.27Å; K341-T343 PolarHBondContact O-N 3.25Å | ||
| 342 | R | 68.1 | Low | 70.6 | Confident | 196 Ų | 196 | 133.4 Ų | 133.4 | 74% | 0.74 | 66% | 0.664 | S | S | * | * | trans | -69.2 | 95.4 | 176.7 | -77.3 | -174.7 | -83 | -171.8 | -5.2 | 105.3 | R340 A344 T358 | R340-R342 PolarHBondContact O-N 2.81Å; R342-A344 PolarHBondContact O-N 2.96Å; R342-T358 HydrophobicContact CB-CG2 3.78Å | ||
| 343 | T | 81.3 | Confident | 72.6 | Confident | 105 Ų | 105 | 124.8 Ų | 124.8 | 64% | 0.644 | 63% | 0.63 | S | S | * | * | trans | -66.9 | 126.1 | 173.4 | 44.3 | 0 | 0 | 0 | 0 | 107.2 | K341 T345 | K341-T343 VanDerWaalsContact C-N 3.27Å; K341-T343 PolarHBondContact O-N 3.25Å; T343-T345 PolarHBondContact O-N 2.74Å; T343-T345 VanDerWaalsContact O-N 3.14Å | ||
| 344 | A | 82.6 | Confident | 74.7 | Confident | 45 Ų | 45 | 116.5 Ų | 116.5 | 37% | 0.372 | 62% | 0.619 | S | S | . | * | trans | -74.1 | 103.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108 | R342 Y357 T358 | R342-A344 PolarHBondContact O-N 2.96Å; A344-Y357 CarbonylContact C-O 3.34Å; A344-Y357 WeakPolarHBondContact CA-O 3.49Å; A344-T358 HydrophobicContact CB-CG2 4.08Å | ||
| 345 | T | 86.6 | Confident | 77 | Confident | 97 Ų | 97 | 119 Ų | 119 | 60% | 0.595 | 61% | 0.614 | S | S | * | * | trans | -93.6 | -15.4 | -176.3 | 48.8 | 0 | 0 | 0 | 0 | 113.1 | T343 Y357 | T343-T345 PolarHBondContact O-N 2.74Å; T343-T345 VanDerWaalsContact O-N 3.14Å; T345-Y357 PolarHBondContact N-O 3.02Å | ||
| 346 | H | 90.2 | Very high | 79.1 | Confident | 63 Ų | 63 | 111.1 Ų | 111.1 | 29% | 0.292 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.1 | 98.9 | -174.3 | -59.8 | -71.9 | 0 | 0 | 0 | 110.7 | T356 Y357 S360 L363 | H346-T356 CarbonylContact O-C 3.46Å; H346-T356 WeakPolarHBondContact O-CA 3.16Å; H346-Y357 WeakPolarHBondContact CB-O 3.5Å; H346-Y357 PolarHBondContact N-O 3.48Å; H346-Y357 PolarHBondContact O-N 3.33Å; H346-S360 PolarHBondContact CD2-N 3.06Å; H346-S360 PolarHBondContact NE2-N 3.28Å; H346-L363 HydrophobicContact CB-CB 4.04Å; H346-L363 HydrophobicContact CB-CD2 3.84Å |
| 347 | S | 92.5 | Very high | 81.1 | Confident | 60 Ų | 60 | 103.2 Ų | 103.2 | 42% | 0.42 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 146.6 | 176.9 | 47.3 | 0 | 0 | 0 | 0 | 112.5 | L363 | S347-L363 WeakPolarHBondContact O-CD2 3.44Å |
| 348 | C | 93.9 | Very high | 83 | Confident | 10 Ų | 10 | 100.7 Ų | 100.7 | 7% | 0.068 | 54% | 0.544 | C | S | . | . | trans | -79.8 | 123.9 | 168 | -177.2 | 0 | 0 | 0 | 0 | 110 | F350 C353 K355 L363 H366 H370 | C348-F350 VanDerWaalsContact C-N 3.32Å; C348-F350 VanDerWaalsContact SG-CB 3.58Å; C348-C353 HydrophobicContact CB-CB 4.36Å; C348-K355 HydrophobicContact CB-CB 4.46Å; C348-K355 WeakPolarHBondContact CB-O 3.49Å; C348-K355 PolarHBondContact N-O 2.98Å; C348-L363 HydrophobicContact CB-CD1 3.88Å; C348-H366 PolarHBondContact SG-NE2 3.02Å; C348-H370 PolarHBondContact SG-NE2 2.94Å; C348-H370 VanDerWaalsContact SG-NE2 3.44Å | ||
| 349 | E | 89.8 | Confident | 85 | Confident | 176 Ų | 176 | 96 Ų | 96 | 82% | 0.822 | 53% | 0.529 | S | S | * | . | trans | -88.8 | 0.2 | -179.3 | -64.4 | 174.5 | -172.6 | 0 | 0 | 112.7 | ||||
| 350 | F | 90.9 | Very high | 86.5 | Confident | 93 Ų | 93 | 95.9 Ų | 95.9 | 41% | 0.408 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -65.7 | 131.2 | 178.9 | -166.1 | -91.8 | 0 | 0 | 0 | 111 | C348 G352 C353 H370 | C348-F350 VanDerWaalsContact C-N 3.32Å; C348-F350 VanDerWaalsContact SG-CB 3.58Å; F350-G352 PolarHBondContact O-N 2.84Å; F350-G352 VanDerWaalsContact O-N 3.16Å; F350-C353 HydrophobicContact CB-CB 4.11Å; F350-C353 WeakPolarHBondContact O-CB 3.38Å; F350-C353 PolarHBondContact O-N 3.32Å; F350-H370 HydrophobicContact CD1-CB 4.48Å; F350-H370 AromaticContact CD1-CE1 3.39Å; F350-H370 WeakPolarHBondContact CD1-CE1 3.45Å; F350-H370 AromaticContact CD1-CG 3.78Å; F350-H370 AromaticContact CD1-ND1 3.17Å; F350-H370 WeakPolarHBondContact CD1-ND1 3.48Å; F350-H370 HydrophobicContact CD2-CB 3.61Å; F350-H370 AromaticContact CD2-CG 3.63Å; F350-H370 AromaticContact CD2-ND1 3.88Å; F350-H370 AromaticContact CE1-ND1 3.51Å; F350-H370 HydrophobicContact CE2-CB 3.77Å; F350-H370 HydrophobicContact CG-CB 3.98Å; F350-H370 AromaticContact CG-CD2 3.76Å; F350-H370 AromaticContact CG-CE1 3.65Å; F350-H370 AromaticContact CG-CG 3.44Å; F350-H370 VanDerWaalsContact CG-CG 3.44Å; F350-H370 AromaticContact CG-ND1 3.37Å; F350-H370 WeakPolarHBondContact CG-ND1 3.43Å; F350-H370 AromaticContact CG-NE2 3.91Å; F350-H370 HydrophobicContact CZ-CB 4.27Å; F350-H370 AromaticContact CZ-ND1 3.99Å |
| 351 | P | 91.4 | Very high | 87.7 | Confident | 112 Ų | 112 | 89.2 Ų | 89.2 | 73% | 0.727 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 122.2 | -178.3 | -27.4 | 34.3 | 0 | 0 | 0 | 112.1 | C353 | P351-C353 PolarHBondContact O-N 2.97Š|
| 352 | G | 89.4 | Confident | 89.1 | Confident | 92 Ų | 92 | 84.2 Ų | 84.2 | 95% | 0.948 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 4.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | F350 | F350-G352 PolarHBondContact O-N 2.84Å; F350-G352 VanDerWaalsContact O-N 3.16Å |
| 353 | C | 91.4 | Very high | 90.2 | Very high | 26 Ų | 26 | 76.4 Ų | 76.4 | 18% | 0.176 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -52.8 | 178.9 | -171.3 | 0 | 0 | 0 | 0 | 113.7 | C348 F350 P351 K355 H366 H370 | C348-C353 HydrophobicContact CB-CB 4.36Å; F350-C353 HydrophobicContact CB-CB 4.11Å; F350-C353 WeakPolarHBondContact O-CB 3.38Å; F350-C353 PolarHBondContact O-N 3.32Å; P351-C353 PolarHBondContact O-N 2.97Å; C353-K355 PolarHBondContact O-N 2.91Å; C353-H366 PolarHBondContact SG-CE1 2.9Å; C353-H366 PolarHBondContact SG-NE2 3.14Å; C353-H370 PolarHBondContact SG-NE2 3.42Å |
| 354 | G | 88.6 | Confident | 90.6 | Very high | 65 Ų | 65 | 76.7 Ų | 76.7 | 67% | 0.67 | 45% | 0.452 | S | S | * | . | trans | 60.8 | 6.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 355 | K | 92.5 | Very high | 90.9 | Very high | 108 Ų | 108 | 75.6 Ų | 75.6 | 47% | 0.47 | 44% | 0.443 | S | S | . | . | trans | -74 | 138.7 | -177.8 | -68.4 | 178.7 | -170.5 | 173 | 0 | 111.2 | C348 C353 Y357 | C348-K355 HydrophobicContact CB-CB 4.46Å; C348-K355 WeakPolarHBondContact CB-O 3.49Å; C348-K355 PolarHBondContact N-O 2.98Å; C353-K355 PolarHBondContact O-N 2.91Å; K355-Y357 HydrophobicContact CB-CE2 3.85Å; K355-Y357 WeakPolarHBondContact CD-OH 3.39Å | ||
| 356 | T | 93.7 | Very high | 91.1 | Very high | 81 Ų | 81 | 71.7 Ų | 71.7 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 146.8 | 178.2 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | H346 | H346-T356 CarbonylContact O-C 3.46Å; H346-T356 WeakPolarHBondContact O-CA 3.16Å |
| 357 | Y | 92.9 | Very high | 91.1 | Very high | 50 Ų | 50 | 71.7 Ų | 71.7 | 20% | 0.196 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 148.9 | -173.7 | -58.8 | -84.9 | 0 | 0 | 0 | 110.6 | A344 T345 H346 K355 H362 L363 H366 | A344-Y357 CarbonylContact C-O 3.34Å; A344-Y357 WeakPolarHBondContact CA-O 3.49Å; T345-Y357 PolarHBondContact N-O 3.02Å; H346-Y357 WeakPolarHBondContact CB-O 3.5Å; H346-Y357 PolarHBondContact N-O 3.48Å; H346-Y357 PolarHBondContact O-N 3.33Å; K355-Y357 HydrophobicContact CB-CE2 3.85Å; K355-Y357 WeakPolarHBondContact CD-OH 3.39Å; Y357-H362 HydrophobicContact CD1-CB 3.72Å; Y357-H362 HydrophobicContact CG-CB 4.11Å; Y357-L363 HydrophobicContact CD2-CB 3.86Å; Y357-L363 HydrophobicContact CD2-CD1 3.76Å; Y357-L363 HydrophobicContact CD2-CG 4.42Å; Y357-L363 HydrophobicContact CE2-CD1 3.99Å; Y357-L363 HydrophobicContact CG-CB 4.28Å; Y357-H366 HydrophobicContact CE1-CB 4.1Å; Y357-H366 HydrophobicContact CE2-CB 3.73Å; Y357-H366 AromaticContact CE2-CD2 3.3Å; Y357-H366 WeakPolarHBondContact CE2-CD2 3.32Å; Y357-H366 AromaticContact CE2-CG 3.58Å; Y357-H366 VanDerWaalsContact CZ-CB 3.43Å; Y357-H366 AromaticContact CZ-CD2 3.59Å; Y357-H366 AromaticContact CZ-CG 3.38Å; Y357-H366 VanDerWaalsContact OH-CB 3.29Å; Y357-H366 WeakPolarHBondContact OH-CB 3.44Å; Y357-H366 PolarHBondContact OH-CD2 3.11Å; Y357-H366 PolarHBondContact OH-ND1 3.36Å |
| 358 | T | 92.4 | Very high | 91.1 | Very high | 54 Ų | 54 | 71 Ų | 71 | 33% | 0.331 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -85.6 | -12.4 | 177.1 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | R342 A344 | R342-T358 HydrophobicContact CB-CG2 3.78Å; A344-T358 HydrophobicContact CB-CG2 4.08Å |
| 359 | K | 90.5 | Very high | 90.9 | Very high | 109 Ų | 109 | 75 Ų | 75 | 47% | 0.474 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -131.2 | 139.4 | 178 | -63 | -171.2 | 176.3 | -169.3 | 0 | 109.7 | S361 H362 L363 | K359-S361 VanDerWaalsContact C-N 3.28Å; K359-S361 PolarHBondContact O-N 2.75Å; K359-H362 HydrophobicContact CB-CB 4.41Å; K359-H362 PolarHBondContact O-N 2.72Å; K359-L363 PolarHBondContact O-N 3.48Å |
| 360 | S | 90.9 | Very high | 90.8 | Very high | 76 Ų | 76 | 69.1 Ų | 69.1 | 53% | 0.531 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.8 | -38.1 | 173.5 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | H346 H362 L363 K364 | H346-S360 PolarHBondContact CD2-N 3.06Å; H346-S360 PolarHBondContact NE2-N 3.28Å; S360-H362 VanDerWaalsContact C-N 3.3Å; S360-H362 PolarHBondContact O-N 2.99Å; S360-L363 WeakPolarHBondContact O-CB 3.29Å; S360-L363 PolarHBondContact O-N 3.27Å; S360-L363 VanDerWaalsContact O-N 3.12Å; S360-K364 PolarHBondContact O-N 3.04Å |
| 361 | S | 89.4 | Confident | 90.7 | Very high | 62 Ų | 62 | 68.6 Ų | 68.6 | 43% | 0.434 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.6 | -37.6 | 177.1 | 60.9 | 0 | 0 | 0 | 0 | 112.9 | K359 K364 A365 | K359-S361 VanDerWaalsContact C-N 3.28Å; K359-S361 PolarHBondContact O-N 2.75Å; S361-K364 PolarHBondContact O-N 2.83Å; S361-A365 WeakPolarHBondContact O-CB 3.46Å; S361-A365 PolarHBondContact O-N 3.43Å |
| 362 | H | 91 | Very high | 90.6 | Very high | 89 Ų | 89 | 65.6 Ų | 65.6 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.3 | -38.7 | 174.6 | -65.1 | 168.7 | 0 | 0 | 0 | 112 | Y357 K359 S360 H366 | Y357-H362 HydrophobicContact CD1-CB 3.72Å; Y357-H362 HydrophobicContact CG-CB 4.11Å; K359-H362 HydrophobicContact CB-CB 4.41Å; K359-H362 PolarHBondContact O-N 2.72Å; S360-H362 VanDerWaalsContact C-N 3.3Å; S360-H362 PolarHBondContact O-N 2.99Å; H362-H366 VanDerWaalsContact O-CB 3.27Å; H362-H366 WeakPolarHBondContact O-CB 3.41Å; H362-H366 PolarHBondContact O-N 3.37Å |
| 363 | L | 92.6 | Very high | 90.6 | Very high | 32 Ų | 32 | 66.6 Ų | 66.6 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 172.8 | 174.5 | 62.3 | 0 | 0 | 0 | 110.6 | H346 S347 C348 Y357 K359 S360 A365 H366 M367 | H346-L363 HydrophobicContact CB-CB 4.04Å; H346-L363 HydrophobicContact CB-CD2 3.84Å; S347-L363 WeakPolarHBondContact O-CD2 3.44Å; C348-L363 HydrophobicContact CB-CD1 3.88Å; Y357-L363 HydrophobicContact CD2-CB 3.86Å; Y357-L363 HydrophobicContact CD2-CD1 3.76Å; Y357-L363 HydrophobicContact CD2-CG 4.42Å; Y357-L363 HydrophobicContact CE2-CD1 3.99Å; Y357-L363 HydrophobicContact CG-CB 4.28Å; K359-L363 PolarHBondContact O-N 3.48Å; S360-L363 WeakPolarHBondContact O-CB 3.29Å; S360-L363 PolarHBondContact O-N 3.27Å; S360-L363 VanDerWaalsContact O-N 3.12Å; L363-A365 PolarHBondContact O-N 2.94Å; L363-H366 CarbonylContact O-C 3.5Å; L363-H366 WeakPolarHBondContact O-CA 3.41Å; L363-H366 WeakPolarHBondContact O-CB 3.36Å; L363-H366 PolarHBondContact O-N 2.9Å; L363-M367 HydrophobicContact CD1-CG 4.32Å; L363-M367 HydrophobicContact CD1-SD 4.32Å; L363-M367 HydrophobicContact CG-CG 4.49Å; L363-M367 WeakPolarHBondContact O-CG 3.32Å; L363-M367 PolarHBondContact O-N 3.2Å |
| 364 | K | 89.4 | Confident | 90.6 | Very high | 110 Ų | 110 | 71.3 Ų | 71.3 | 48% | 0.478 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 177.1 | -172.4 | 176.5 | -177.3 | -179.6 | 0 | 111.8 | S360 S361 H366 M367 | S360-K364 PolarHBondContact O-N 3.04Å; S361-K364 PolarHBondContact O-N 2.83Å; K364-H366 VanDerWaalsContact C-N 3.3Å; K364-H366 PolarHBondContact O-N 3.35Å; K364-M367 PolarHBondContact O-N 3.43Å |
| 365 | A | 89.1 | Confident | 90.7 | Very high | 23 Ų | 23 | 71.3 Ų | 71.3 | 19% | 0.19 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S361 L363 R368 R389 | S361-A365 WeakPolarHBondContact O-CB 3.46Å; S361-A365 PolarHBondContact O-N 3.43Å; L363-A365 PolarHBondContact O-N 2.94Å; A365-R368 WeakPolarHBondContact O-CB 3.44Å; A365-R368 PolarHBondContact O-N 3.07Å; A365-R389 HydrophobicContact CB-CG 4.46Å |
| 366 | H | 90.4 | Very high | 90.8 | Very high | 14 Ų | 14 | 69.7 Ų | 69.7 | 7% | 0.065 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68 | -38.5 | 174.5 | 166.1 | 57.5 | 0 | 0 | 0 | 112.8 | C348 C353 Y357 H362 L363 K364 R368 T369 H370 | C348-H366 PolarHBondContact SG-NE2 3.02Å; C353-H366 PolarHBondContact SG-CE1 2.9Å; C353-H366 PolarHBondContact SG-NE2 3.14Å; Y357-H366 HydrophobicContact CE1-CB 4.1Å; Y357-H366 HydrophobicContact CE2-CB 3.73Å; Y357-H366 AromaticContact CE2-CD2 3.3Å; Y357-H366 WeakPolarHBondContact CE2-CD2 3.32Å; Y357-H366 AromaticContact CE2-CG 3.58Å; Y357-H366 VanDerWaalsContact CZ-CB 3.43Å; Y357-H366 AromaticContact CZ-CD2 3.59Å; Y357-H366 AromaticContact CZ-CG 3.38Å; Y357-H366 VanDerWaalsContact OH-CB 3.29Å; Y357-H366 WeakPolarHBondContact OH-CB 3.44Å; Y357-H366 PolarHBondContact OH-CD2 3.11Å; Y357-H366 PolarHBondContact OH-ND1 3.36Å; H362-H366 VanDerWaalsContact O-CB 3.27Å; H362-H366 WeakPolarHBondContact O-CB 3.41Å; H362-H366 PolarHBondContact O-N 3.37Å; L363-H366 CarbonylContact O-C 3.5Å; L363-H366 WeakPolarHBondContact O-CA 3.41Å; L363-H366 WeakPolarHBondContact O-CB 3.36Å; L363-H366 PolarHBondContact O-N 2.9Å; K364-H366 VanDerWaalsContact C-N 3.3Å; K364-H366 PolarHBondContact O-N 3.35Å; H366-R368 PolarHBondContact O-N 3.09Å; H366-R368 VanDerWaalsContact O-N 3.12Å; H366-T369 PolarHBondContact CE1-OG1 3.33Å; H366-T369 PolarHBondContact ND1-OG1 3.39Å; H366-T369 VanDerWaalsContact O-CB 3.3Å; H366-T369 WeakPolarHBondContact O-CB 3.38Å; H366-T369 WeakPolarHBondContact O-CG2 3.37Å; H366-T369 PolarHBondContact O-N 3.21Å; H366-T369 PolarHBondContact O-OG1 3.29Å; H366-H370 AromaticContact CE1-CD2 3.96Å; H366-H370 AromaticContact CE1-NE2 3.35Å; H366-H370 PolarHBondContact CE1-NE2 3.44Å; H366-H370 VanDerWaalsContact CE1-NE2 3.35Å; H366-H370 AromaticContact NE2-CD2 3.85Å; H366-H370 AromaticContact NE2-NE2 3.27Å; H366-H370 PolarHBondContact NE2-NE2 3.47Å |
| 367 | M | 91.1 | Very high | 90.8 | Very high | 64 Ų | 64 | 71 Ų | 71 | 32% | 0.315 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.7 | -30.4 | 178.2 | -72 | -54.9 | -62.6 | 0 | 0 | 112.2 | L363 K364 T369 H370 T371 | L363-M367 HydrophobicContact CD1-CG 4.32Å; L363-M367 HydrophobicContact CD1-SD 4.32Å; L363-M367 HydrophobicContact CG-CG 4.49Å; L363-M367 WeakPolarHBondContact O-CG 3.32Å; L363-M367 PolarHBondContact O-N 3.2Å; K364-M367 PolarHBondContact O-N 3.43Å; M367-T369 PolarHBondContact O-N 2.86Å; M367-T369 VanDerWaalsContact O-N 3.13Å; M367-H370 WeakPolarHBondContact O-CB 3.49Å; M367-H370 PolarHBondContact O-N 3.5Å; M367-T371 PolarHBondContact O-N 3.29Å; M367-T371 VanDerWaalsContact O-N 3.15Å |
| 368 | R | 91.4 | Very high | 90.9 | Very high | 46 Ų | 46 | 69.1 Ų | 69.1 | 17% | 0.174 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.9 | -22 | 172.8 | -60.9 | -174.5 | 179.1 | 107.7 | 2.1 | 114.1 | A365 H366 H370 T371 G372 E373 A388 | A365-R368 WeakPolarHBondContact O-CB 3.44Å; A365-R368 PolarHBondContact O-N 3.07Å; H366-R368 PolarHBondContact O-N 3.09Å; H366-R368 VanDerWaalsContact O-N 3.12Å; R368-H370 VanDerWaalsContact C-N 3.29Å; R368-T371 WeakPolarHBondContact CA-OG1 3.48Å; R368-G372 VanDerWaalsContact O-CA 3.31Å; R368-G372 WeakPolarHBondContact O-CA 3.29Å; R368-G372 PolarHBondContact O-N 2.68Å; R368-E373 HydrophobicContact CB-CB 4.46Å; R368-E373 HydrophobicContact CG-CB 4.3Å; R368-E373 PolarHBondContact O-N 2.82Å; R368-A388 HydrophobicContact CB-CB 4.12Å; R368-A388 WeakPolarHBondContact CD-O 3.32Å |
| 369 | T | 89.1 | Confident | 91 | Very high | 92 Ų | 92 | 71.4 Ų | 71.4 | 56% | 0.564 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -73.6 | -21.9 | 173.8 | 68 | 0 | 0 | 0 | 0 | 113 | H366 M367 | H366-T369 PolarHBondContact CE1-OG1 3.33Å; H366-T369 PolarHBondContact ND1-OG1 3.39Å; H366-T369 VanDerWaalsContact O-CB 3.3Å; H366-T369 WeakPolarHBondContact O-CB 3.38Å; H366-T369 WeakPolarHBondContact O-CG2 3.37Å; H366-T369 PolarHBondContact O-N 3.21Å; H366-T369 PolarHBondContact O-OG1 3.29Å; M367-T369 PolarHBondContact O-N 2.86Å; M367-T369 VanDerWaalsContact O-N 3.13Å |
| 370 | H | 89.4 | Confident | 91.1 | Very high | 53 Ų | 53 | 71.5 Ų | 71.5 | 25% | 0.245 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -88.8 | -42.2 | 174.8 | -66.8 | -59.7 | 0 | 0 | 0 | 111.8 | C348 F350 C353 H366 M367 R368 G372 | C348-H370 PolarHBondContact SG-NE2 2.94Å; C348-H370 VanDerWaalsContact SG-NE2 3.44Å; F350-H370 HydrophobicContact CD1-CB 4.48Å; F350-H370 AromaticContact CD1-CE1 3.39Å; F350-H370 WeakPolarHBondContact CD1-CE1 3.45Å; F350-H370 AromaticContact CD1-CG 3.78Å; F350-H370 AromaticContact CD1-ND1 3.17Å; F350-H370 WeakPolarHBondContact CD1-ND1 3.48Å; F350-H370 HydrophobicContact CD2-CB 3.61Å; F350-H370 AromaticContact CD2-CG 3.63Å; F350-H370 AromaticContact CD2-ND1 3.88Å; F350-H370 AromaticContact CE1-ND1 3.51Å; F350-H370 HydrophobicContact CE2-CB 3.77Å; F350-H370 HydrophobicContact CG-CB 3.98Å; F350-H370 AromaticContact CG-CD2 3.76Å; F350-H370 AromaticContact CG-CE1 3.65Å; F350-H370 AromaticContact CG-CG 3.44Å; F350-H370 VanDerWaalsContact CG-CG 3.44Å; F350-H370 AromaticContact CG-ND1 3.37Å; F350-H370 WeakPolarHBondContact CG-ND1 3.43Å; F350-H370 AromaticContact CG-NE2 3.91Å; F350-H370 HydrophobicContact CZ-CB 4.27Å; F350-H370 AromaticContact CZ-ND1 3.99Å; C353-H370 PolarHBondContact SG-NE2 3.42Å; H366-H370 AromaticContact CE1-CD2 3.96Å; H366-H370 AromaticContact CE1-NE2 3.35Å; H366-H370 PolarHBondContact CE1-NE2 3.44Å; H366-H370 VanDerWaalsContact CE1-NE2 3.35Å; H366-H370 AromaticContact NE2-CD2 3.85Å; H366-H370 AromaticContact NE2-NE2 3.27Å; H366-H370 PolarHBondContact NE2-NE2 3.47Å; M367-H370 WeakPolarHBondContact O-CB 3.49Å; M367-H370 PolarHBondContact O-N 3.5Å; R368-H370 VanDerWaalsContact C-N 3.29Å; H370-G372 VanDerWaalsContact C-N 3.35Å |
| 371 | T | 87.6 | Confident | 91.3 | Very high | 82 Ų | 82 | 76.8 Ų | 76.8 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -80.6 | -17.9 | 179.9 | 60.1 | 0 | 0 | 0 | 0 | 113 | M367 R368 E373 | M367-T371 PolarHBondContact O-N 3.29Å; M367-T371 VanDerWaalsContact O-N 3.15Å; R368-T371 WeakPolarHBondContact CA-OG1 3.48Å; T371-E373 PolarHBondContact O-N 3.4Å; T371-E373 WeakPolarHBondContact OG1-CG 3.39Å; T371-E373 PolarHBondContact OG1-N 3.43Å |
| 372 | G | 88.9 | Confident | 91.4 | Very high | 50 Ų | 50 | 78.3 Ų | 78.3 | 52% | 0.515 | 42% | 0.419 | S | S | . | . | trans | 72.6 | 8.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R368 H370 K374 | R368-G372 VanDerWaalsContact O-CA 3.31Å; R368-G372 WeakPolarHBondContact O-CA 3.29Å; R368-G372 PolarHBondContact O-N 2.68Å; H370-G372 VanDerWaalsContact C-N 3.35Å; G372-K374 PolarHBondContact O-N 2.75Å | ||
| 373 | E | 90.4 | Very high | 91.5 | Very high | 113 Ų | 113 | 75 Ų | 75 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | trans | -63.3 | 130.2 | -179.7 | -76.7 | 175.9 | -166.9 | 0 | 0 | 112 | R368 T371 | R368-E373 HydrophobicContact CB-CB 4.46Å; R368-E373 HydrophobicContact CG-CB 4.3Å; R368-E373 PolarHBondContact O-N 2.82Å; T371-E373 PolarHBondContact O-N 3.4Å; T371-E373 WeakPolarHBondContact OG1-CG 3.39Å; T371-E373 PolarHBondContact OG1-N 3.43Å | ||
| 374 | K | 91.8 | Very high | 91.5 | Very high | 124 Ų | 124 | 76.7 Ų | 76.7 | 54% | 0.539 | 43% | 0.431 | S | S | . | . | trans | -129.7 | 79.3 | 179.6 | -69.3 | 170.5 | 172.4 | -168.1 | 0 | 109.8 | G372 Y376 K386 F387 | G372-K374 PolarHBondContact O-N 2.75Å; K374-Y376 PolarHBondContact O-N 3.42Å; K374-K386 HydrophobicContact CB-CB 3.63Å; K374-K386 HydrophobicContact CD-CB 4.09Å; K374-K386 WeakPolarHBondContact CD-O 3.42Å; K374-K386 HydrophobicContact CG-CB 4.47Å; K374-F387 CarbonylContact C-O 3.49Å; K374-F387 VanDerWaalsContact C-O 3.29Å; K374-F387 VanDerWaalsContact CA-O 3.24Å; K374-F387 WeakPolarHBondContact CA-O 3.4Å | ||
| 375 | P | 90.5 | Very high | 91.7 | Very high | 65 Ų | 65 | 79.4 Ų | 79.4 | 42% | 0.422 | 44% | 0.438 | S | S | . | . | trans | -69.5 | -22.5 | -175.1 | 24.9 | -31.5 | 0 | 0 | 0 | 113.1 | ||||
| 376 | Y | 93.4 | Very high | 92 | Very high | 74 Ų | 74 | 84.2 Ų | 84.2 | 29% | 0.29 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 112.8 | -175.5 | -57.1 | -78.7 | 0 | 0 | 0 | 110.5 | K374 K386 F387 A388 | K374-Y376 PolarHBondContact O-N 3.42Å; Y376-K386 CarbonylContact O-C 3.6Å; Y376-K386 VanDerWaalsContact O-CA 3.32Å; Y376-K386 WeakPolarHBondContact O-CA 3.33Å; Y376-F387 PolarHBondContact N-O 2.82Å; Y376-F387 VanDerWaalsContact N-O 3.11Å; Y376-F387 PolarHBondContact O-N 2.82Å; Y376-A388 WeakPolarHBondContact CE2-O 3.44Å |
| 377 | H | 93.8 | Very high | 92.1 | Very high | 108 Ų | 108 | 84.9 Ų | 84.9 | 50% | 0.5 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 146.6 | -179.5 | 51.9 | -75.8 | 0 | 0 | 0 | 110.8 | N379 K386 L393 | H377-N379 PolarHBondContact CD2-OD1 3.43Å; H377-N379 PolarHBondContact NE2-OD1 3.33Å; H377-N379 PolarHBondContact O-OD1 3.46Å; H377-K386 HydrophobicContact CB-CG 4.37Å; H377-L393 WeakPolarHBondContact O-CD1 3.01Å; H377-L393 WeakPolarHBondContact O-CD2 3.49Å |
| 378 | C | 96 | Very high | 92.1 | Very high | 11 Ų | 11 | 82.7 Ų | 82.7 | 7% | 0.074 | 45% | 0.449 | C | S | . | . | trans | -79.8 | 130.8 | 168.8 | -167.5 | 0 | 0 | 0 | 0 | 109.3 | W380 C383 W385 L393 H396 H400 | C378-W380 VanDerWaalsContact C-N 3.35Å; C378-C383 HydrophobicContact CB-CB 4.33Å; C378-W385 WeakPolarHBondContact CB-O 3.32Å; C378-W385 PolarHBondContact N-O 3.29Å; C378-L393 HydrophobicContact CB-CD1 4.06Å; C378-H396 VanDerWaalsContact SG-CD2 3.55Å; C378-H396 PolarHBondContact SG-NE2 2.81Å; C378-H396 VanDerWaalsContact SG-NE2 3.42Å; C378-H400 PolarHBondContact SG-NE2 3.46Å | ||
| 379 | N | 94.1 | Very high | 92.1 | Very high | 102 Ų | 102 | 85.5 Ų | 85.5 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | trans | -98 | 8.8 | 180 | -56.4 | -2.3 | 0 | 0 | 0 | 111.6 | H377 Y397 | H377-N379 PolarHBondContact CD2-OD1 3.43Å; H377-N379 PolarHBondContact NE2-OD1 3.33Å; H377-N379 PolarHBondContact O-OD1 3.46Å; N379-Y397 WeakPolarHBondContact CA-OH 3.32Å; N379-Y397 WeakPolarHBondContact CB-OH 3.35Å; N379-Y397 PolarHBondContact N-OH 3.48Å | ||
| 380 | W | 93.6 | Very high | 92.2 | Very high | 112 Ų | 112 | 83 Ų | 83 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -72.3 | 134 | 177.1 | -165.4 | -81.3 | 0 | 0 | 0 | 110.2 | C378 G382 C383 Y397 H400 T401 | C378-W380 VanDerWaalsContact C-N 3.35Å; W380-G382 PolarHBondContact O-N 3.04Å; W380-C383 HydrophobicContact CB-CB 3.86Å; W380-C383 WeakPolarHBondContact O-CA 3.39Å; W380-C383 WeakPolarHBondContact O-CB 3.24Å; W380-C383 PolarHBondContact O-N 3.47Å; W380-Y397 HydrophobicContact CE3-CE1 4.03Å; W380-Y397 PolarHBondContact N-OH 3.41Å; W380-H400 AromaticContact CD1-CE1 3.66Å; W380-H400 AromaticContact CD1-CG 3.98Å; W380-H400 AromaticContact CD1-ND1 3.4Å; W380-H400 HydrophobicContact CD2-CB 3.42Å; W380-H400 VanDerWaalsContact CD2-CB 3.42Å; W380-H400 AromaticContact CD2-CG 3.49Å; W380-H400 VanDerWaalsContact CD2-CG 3.49Å; W380-H400 AromaticContact CD2-ND1 3.69Å; W380-H400 AromaticContact CE2-CG 3.94Å; W380-H400 AromaticContact CE2-ND1 3.82Å; W380-H400 HydrophobicContact CE3-CB 3.36Å; W380-H400 AromaticContact CE3-CG 3.85Å; W380-H400 HydrophobicContact CG-CB 4.04Å; W380-H400 AromaticContact CG-CD2 3.84Å; W380-H400 AromaticContact CG-CE1 3.68Å; W380-H400 AromaticContact CG-CG 3.53Å; W380-H400 AromaticContact CG-ND1 3.42Å; W380-H400 AromaticContact CG-NE2 3.96Å; W380-H400 HydrophobicContact CH2-CB 3.88Å; W380-H400 HydrophobicContact CZ2-CB 3.95Å; W380-H400 HydrophobicContact CZ3-CB 3.6Å; W380-H400 AromaticContact NE1-ND1 3.65Å; W380-T401 HydrophobicContact CZ3-CG2 4.05Å |
| 381 | E | 93.6 | Very high | 92.3 | Very high | 186 Ų | 186 | 83.9 Ų | 83.9 | 87% | 0.869 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 132.6 | -177.4 | -65.1 | -165.8 | 160.6 | 0 | 0 | 112.1 | C383 | E381-C383 PolarHBondContact O-N 2.89Š|
| 382 | G | 91.9 | Very high | 92.5 | Very high | 94 Ų | 94 | 82.4 Ų | 82.4 | 97% | 0.969 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | -0.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | W380 | W380-G382 PolarHBondContact O-N 3.04Š|
| 383 | C | 93.2 | Very high | 92.8 | Very high | 20 Ų | 20 | 81.4 Ų | 81.4 | 14% | 0.135 | 42% | 0.423 | C | S | . | . | trans | -97.5 | 108.3 | 176.1 | -166.1 | 0 | 0 | 0 | 0 | 111.7 | C378 W380 E381 W385 H396 H400 | C378-C383 HydrophobicContact CB-CB 4.33Å; W380-C383 HydrophobicContact CB-CB 3.86Å; W380-C383 WeakPolarHBondContact O-CA 3.39Å; W380-C383 WeakPolarHBondContact O-CB 3.24Å; W380-C383 PolarHBondContact O-N 3.47Å; E381-C383 PolarHBondContact O-N 2.89Å; C383-W385 VanDerWaalsContact SG-CD1 3.53Å; C383-H396 PolarHBondContact SG-NE2 2.83Å; C383-H400 PolarHBondContact SG-NE2 3.42Å | ||
| 384 | G | 91.9 | Very high | 93 | Very high | 68 Ų | 68 | 77.2 Ų | 77.2 | 70% | 0.701 | 41% | 0.405 | S | S | * | . | trans | -90.2 | 13.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 385 | W | 94.8 | Very high | 93.1 | Very high | 166 Ų | 166 | 75.9 Ų | 75.9 | 63% | 0.629 | 40% | 0.397 | S | S | * | . | trans | -77.3 | 133.5 | -171.3 | -74.8 | 74.3 | 0 | 0 | 0 | 112.4 | C378 C383 F387 H396 | C378-W385 WeakPolarHBondContact CB-O 3.32Å; C378-W385 PolarHBondContact N-O 3.29Å; C383-W385 VanDerWaalsContact SG-CD1 3.53Å; W385-F387 HydrophobicContact CB-CE2 3.89Å; W385-F387 HydrophobicContact CB-CZ 3.85Å; W385-F387 HydrophobicContact CE3-CZ 4.31Å; W385-H396 AromaticContact CG-CE1 3.82Å | ||
| 386 | K | 94.4 | Very high | 93.3 | Very high | 125 Ų | 125 | 73.5 Ų | 73.5 | 54% | 0.543 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 146.3 | 177 | -53.2 | -177.1 | -178.1 | -179.4 | 0 | 111 | K374 Y376 H377 | K374-K386 HydrophobicContact CB-CB 3.63Å; K374-K386 HydrophobicContact CD-CB 4.09Å; K374-K386 WeakPolarHBondContact CD-O 3.42Å; K374-K386 HydrophobicContact CG-CB 4.47Å; Y376-K386 CarbonylContact O-C 3.6Å; Y376-K386 VanDerWaalsContact O-CA 3.32Å; Y376-K386 WeakPolarHBondContact O-CA 3.33Å; H377-K386 HydrophobicContact CB-CG 4.37Å |
| 387 | F | 93.4 | Very high | 93.3 | Very high | 28 Ų | 28 | 72 Ų | 72 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 150.7 | -172.9 | -58.2 | -80.3 | 0 | 0 | 0 | 111.7 | K374 Y376 W385 E392 L393 H396 | K374-F387 CarbonylContact C-O 3.49Å; K374-F387 VanDerWaalsContact C-O 3.29Å; K374-F387 VanDerWaalsContact CA-O 3.24Å; K374-F387 WeakPolarHBondContact CA-O 3.4Å; Y376-F387 PolarHBondContact N-O 2.82Å; Y376-F387 VanDerWaalsContact N-O 3.11Å; Y376-F387 PolarHBondContact O-N 2.82Å; W385-F387 HydrophobicContact CB-CE2 3.89Å; W385-F387 HydrophobicContact CB-CZ 3.85Å; W385-F387 HydrophobicContact CE3-CZ 4.31Å; F387-E392 HydrophobicContact CB-CB 3.97Å; F387-E392 HydrophobicContact CD1-CB 3.81Å; F387-E392 HydrophobicContact CG-CB 4.08Å; F387-L393 HydrophobicContact CB-CB 4.43Å; F387-L393 HydrophobicContact CD2-CB 3.92Å; F387-L393 HydrophobicContact CD2-CD1 3.8Å; F387-L393 HydrophobicContact CD2-CG 4.49Å; F387-L393 HydrophobicContact CE2-CD1 4.03Å; F387-L393 HydrophobicContact CG-CB 4.37Å; F387-H396 HydrophobicContact CE1-CB 4.03Å; F387-H396 HydrophobicContact CE2-CB 3.66Å; F387-H396 AromaticContact CE2-CD2 3.53Å; F387-H396 AromaticContact CE2-CG 3.49Å; F387-H396 VanDerWaalsContact CE2-CG 3.49Å; F387-H396 HydrophobicContact CZ-CB 3.36Å; F387-H396 AromaticContact CZ-CD2 3.73Å; F387-H396 AromaticContact CZ-CE1 3.99Å; F387-H396 AromaticContact CZ-CG 3.22Å; F387-H396 AromaticContact CZ-ND1 3.44Å; F387-H396 WeakPolarHBondContact CZ-ND1 3.47Å |
| 388 | A | 91.3 | Very high | 93.3 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -83.6 | -18.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R368 Y376 E392 | R368-A388 HydrophobicContact CB-CB 4.12Å; R368-A388 WeakPolarHBondContact CD-O 3.32Å; Y376-A388 WeakPolarHBondContact CE2-O 3.44Å; A388-E392 PolarHBondContact N-OE2 2.96Å |
| 389 | R | 90.3 | Very high | 93.1 | Very high | 106 Ų | 106 | 75.7 Ų | 75.7 | 40% | 0.4 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -132.6 | 152.2 | -178.6 | -59.9 | 169.5 | 41.6 | 150.9 | -0.3 | 112.6 | A365 D391 E392 L393 | A365-R389 HydrophobicContact CB-CG 4.46Å; R389-D391 VanDerWaalsContact CB-OD1 3.23Å; R389-D391 WeakPolarHBondContact CB-OD1 3.32Å; R389-D391 IonicContact CZ-OD1 3.19Å; R389-D391 IonicContact CZ-OD2 3.44Å; R389-D391 IonicContact NE-OD1 2.75Å; R389-D391 PolarHBondContact NE-OD1 3.16Å; R389-D391 IonicContact NE-OD2 3.64Å; R389-D391 IonicContact NH2-OD1 2.82Å; R389-D391 PolarHBondContact NH2-OD1 3.04Å; R389-D391 IonicContact NH2-OD2 2.68Å; R389-D391 PolarHBondContact NH2-OD2 2.93Å; R389-E392 HydrophobicContact CB-CB 4.42Å; R389-E392 HydrophobicContact CB-CG 3.98Å; R389-E392 PolarHBondContact N-OE2 3.42Å; R389-E392 WeakPolarHBondContact O-CB 3.48Å; R389-E392 PolarHBondContact O-N 3.38Å; R389-L393 PolarHBondContact O-N 3.37Å |
| 390 | S | 92 | Very high | 93.1 | Very high | 40 Ų | 40 | 73.4 Ų | 73.4 | 28% | 0.28 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 179.4 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | E392 L393 T394 | S390-E392 PolarHBondContact O-N 3.5Å; S390-L393 WeakPolarHBondContact O-CB 3.4Å; S390-L393 PolarHBondContact O-N 2.87Å; S390-L393 VanDerWaalsContact O-N 3.09Å; S390-T394 PolarHBondContact O-N 3.24Å; S390-T394 PolarHBondContact O-OG1 2.67Å |
| 391 | D | 90.4 | Very high | 93.1 | Very high | 70 Ų | 70 | 71 Ų | 71 | 37% | 0.374 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.8 | -28.9 | 179 | 65.8 | -59.4 | 0 | 0 | 0 | 113 | R389 R395 | R389-D391 VanDerWaalsContact CB-OD1 3.23Å; R389-D391 WeakPolarHBondContact CB-OD1 3.32Å; R389-D391 IonicContact CZ-OD1 3.19Å; R389-D391 IonicContact CZ-OD2 3.44Å; R389-D391 IonicContact NE-OD1 2.75Å; R389-D391 PolarHBondContact NE-OD1 3.16Å; R389-D391 IonicContact NE-OD2 3.64Å; R389-D391 IonicContact NH2-OD1 2.82Å; R389-D391 PolarHBondContact NH2-OD1 3.04Å; R389-D391 IonicContact NH2-OD2 2.68Å; R389-D391 PolarHBondContact NH2-OD2 2.93Å; D391-R395 VanDerWaalsContact O-CB 3.29Å; D391-R395 WeakPolarHBondContact O-CB 3.23Å; D391-R395 PolarHBondContact O-N 3.41Å |
| 392 | E | 93.6 | Very high | 93 | Very high | 51 Ų | 51 | 64.6 Ų | 64.6 | 24% | 0.238 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.6 | -42.6 | 173 | -66.4 | 174.3 | 167.3 | 0 | 0 | 111.3 | F387 A388 R389 S390 R395 H396 | F387-E392 HydrophobicContact CB-CB 3.97Å; F387-E392 HydrophobicContact CD1-CB 3.81Å; F387-E392 HydrophobicContact CG-CB 4.08Å; A388-E392 PolarHBondContact N-OE2 2.96Å; R389-E392 HydrophobicContact CB-CB 4.42Å; R389-E392 HydrophobicContact CB-CG 3.98Å; R389-E392 PolarHBondContact N-OE2 3.42Å; R389-E392 WeakPolarHBondContact O-CB 3.48Å; R389-E392 PolarHBondContact O-N 3.38Å; S390-E392 PolarHBondContact O-N 3.5Å; E392-R395 PolarHBondContact O-N 3.2Å; E392-H396 WeakPolarHBondContact O-CB 3.43Å; E392-H396 PolarHBondContact O-N 2.88Å |
| 393 | L | 95.3 | Very high | 93.1 | Very high | 30 Ų | 30 | 63.6 Ų | 63.6 | 16% | 0.157 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 174 | 173.9 | 63.5 | 0 | 0 | 0 | 111 | H377 C378 F387 R389 S390 R395 H396 Y397 | H377-L393 WeakPolarHBondContact O-CD1 3.01Å; H377-L393 WeakPolarHBondContact O-CD2 3.49Å; C378-L393 HydrophobicContact CB-CD1 4.06Å; F387-L393 HydrophobicContact CB-CB 4.43Å; F387-L393 HydrophobicContact CD2-CB 3.92Å; F387-L393 HydrophobicContact CD2-CD1 3.8Å; F387-L393 HydrophobicContact CD2-CG 4.49Å; F387-L393 HydrophobicContact CE2-CD1 4.03Å; F387-L393 HydrophobicContact CG-CB 4.37Å; R389-L393 PolarHBondContact O-N 3.37Å; S390-L393 WeakPolarHBondContact O-CB 3.4Å; S390-L393 PolarHBondContact O-N 2.87Å; S390-L393 VanDerWaalsContact O-N 3.09Å; L393-R395 VanDerWaalsContact C-N 3.32Å; L393-R395 PolarHBondContact O-N 2.62Å; L393-H396 CarbonylContact O-C 3.46Å; L393-H396 WeakPolarHBondContact O-CA 3.33Å; L393-H396 WeakPolarHBondContact O-CB 3.38Å; L393-H396 PolarHBondContact O-N 3.3Å; L393-H396 VanDerWaalsContact O-N 3.07Å; L393-Y397 HydrophobicContact CD1-CD2 3.8Å; L393-Y397 HydrophobicContact CD1-CE2 4.05Å; L393-Y397 HydrophobicContact CG-CD2 4.18Å; L393-Y397 PolarHBondContact O-N 3.12Å |
| 394 | T | 93.8 | Very high | 93.1 | Very high | 24 Ų | 24 | 69.8 Ų | 69.8 | 15% | 0.147 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 177.9 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | S390 H396 Y397 R398 | S390-T394 PolarHBondContact O-N 3.24Å; S390-T394 PolarHBondContact O-OG1 2.67Å; T394-H396 VanDerWaalsContact C-N 3.3Å; T394-H396 PolarHBondContact O-N 3.47Å; T394-Y397 WeakPolarHBondContact O-CB 3.26Å; T394-Y397 PolarHBondContact O-N 3.45Å; T394-R398 PolarHBondContact O-N 2.93Å |
| 395 | R | 92.9 | Very high | 93.2 | Very high | 97 Ų | 97 | 69.1 Ų | 69.1 | 37% | 0.366 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 175.9 | 178.7 | 179 | 62.4 | -174.9 | -4.3 | 112.1 | D391 E392 L393 R417 | D391-R395 VanDerWaalsContact O-CB 3.29Å; D391-R395 WeakPolarHBondContact O-CB 3.23Å; D391-R395 PolarHBondContact O-N 3.41Å; E392-R395 PolarHBondContact O-N 3.2Å; L393-R395 VanDerWaalsContact C-N 3.32Å; L393-R395 PolarHBondContact O-N 2.62Å; R395-R417 HydrophobicContact CG-CG 4.21Å |
| 396 | H | 94.7 | Very high | 93.2 | Very high | 15 Ų | 15 | 64.1 Ų | 64.1 | 7% | 0.069 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66 | -42.6 | 174.7 | 170.3 | 83.3 | 0 | 0 | 0 | 111.4 | C378 C383 W385 F387 E392 L393 T394 R398 K399 H400 | C378-H396 VanDerWaalsContact SG-CD2 3.55Å; C378-H396 PolarHBondContact SG-NE2 2.81Å; C378-H396 VanDerWaalsContact SG-NE2 3.42Å; C383-H396 PolarHBondContact SG-NE2 2.83Å; W385-H396 AromaticContact CG-CE1 3.82Å; F387-H396 HydrophobicContact CE1-CB 4.03Å; F387-H396 HydrophobicContact CE2-CB 3.66Å; F387-H396 AromaticContact CE2-CD2 3.53Å; F387-H396 AromaticContact CE2-CG 3.49Å; F387-H396 VanDerWaalsContact CE2-CG 3.49Å; F387-H396 HydrophobicContact CZ-CB 3.36Å; F387-H396 AromaticContact CZ-CD2 3.73Å; F387-H396 AromaticContact CZ-CE1 3.99Å; F387-H396 AromaticContact CZ-CG 3.22Å; F387-H396 AromaticContact CZ-ND1 3.44Å; F387-H396 WeakPolarHBondContact CZ-ND1 3.47Å; E392-H396 WeakPolarHBondContact O-CB 3.43Å; E392-H396 PolarHBondContact O-N 2.88Å; L393-H396 CarbonylContact O-C 3.46Å; L393-H396 WeakPolarHBondContact O-CA 3.33Å; L393-H396 WeakPolarHBondContact O-CB 3.38Å; L393-H396 PolarHBondContact O-N 3.3Å; L393-H396 VanDerWaalsContact O-N 3.07Å; T394-H396 VanDerWaalsContact C-N 3.3Å; T394-H396 PolarHBondContact O-N 3.47Å; H396-R398 PolarHBondContact O-N 3.15Å; H396-K399 WeakPolarHBondContact O-CA 3.33Å; H396-K399 WeakPolarHBondContact O-CB 3.44Å; H396-K399 WeakPolarHBondContact O-CG 3.31Å; H396-K399 PolarHBondContact O-N 3.13Å; H396-H400 AromaticContact CD2-NE2 3.87Å; H396-H400 AromaticContact CE1-NE2 3.73Å; H396-H400 AromaticContact NE2-CD2 3.8Å; H396-H400 AromaticContact NE2-NE2 3.13Å; H396-H400 PolarHBondContact NE2-NE2 3.12Å; H396-H400 VanDerWaalsContact NE2-NE2 3.13Å |
| 397 | Y | 93.8 | Very high | 93.3 | Very high | 41 Ų | 41 | 64.6 Ų | 64.6 | 16% | 0.161 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.7 | -35.7 | 177.3 | -115 | -85 | 0 | 0 | 0 | 113.1 | I77 N379 W380 L393 T394 K399 H400 T401 | I77-Y397 HydrophobicContact CG2-CD1 4.06Å; I77-Y397 HydrophobicContact CG2-CE1 4.33Å; N379-Y397 WeakPolarHBondContact CA-OH 3.32Å; N379-Y397 WeakPolarHBondContact CB-OH 3.35Å; N379-Y397 PolarHBondContact N-OH 3.48Å; W380-Y397 HydrophobicContact CE3-CE1 4.03Å; W380-Y397 PolarHBondContact N-OH 3.41Å; L393-Y397 HydrophobicContact CD1-CD2 3.8Å; L393-Y397 HydrophobicContact CD1-CE2 4.05Å; L393-Y397 HydrophobicContact CG-CD2 4.18Å; L393-Y397 PolarHBondContact O-N 3.12Å; T394-Y397 WeakPolarHBondContact O-CB 3.26Å; T394-Y397 PolarHBondContact O-N 3.45Å; Y397-K399 PolarHBondContact O-N 3.35Å; Y397-K399 VanDerWaalsContact O-N 3.09Å; Y397-H400 WeakPolarHBondContact O-CB 3.49Å; Y397-H400 PolarHBondContact O-N 3.05Å; Y397-T401 PolarHBondContact O-N 2.84Å; Y397-T401 VanDerWaalsContact O-N 3.12Å; Y397-T401 PolarHBondContact O-OG1 2.91Å |
| 398 | R | 94.9 | Very high | 93.5 | Very high | 35 Ų | 35 | 63.5 Ų | 63.5 | 13% | 0.132 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -19.7 | 173.6 | -65.2 | -179.2 | -176.1 | 160.5 | 0.2 | 113.8 | D73 T394 H396 G402 H403 S416 | D73-R398 IonicContact OD2-CZ 3.79Å; D73-R398 IonicContact OD2-NH2 2.72Å; D73-R398 PolarHBondContact OD2-NH2 2.92Å; T394-R398 PolarHBondContact O-N 2.93Å; H396-R398 PolarHBondContact O-N 3.15Å; R398-G402 CarbonylContact O-C 3.29Å; R398-G402 WeakPolarHBondContact O-CA 3.4Å; R398-G402 PolarHBondContact O-N 3.13Å; R398-G402 VanDerWaalsContact O-N 3.09Å; R398-H403 HydrophobicContact CG-CB 4.33Å; R398-H403 PolarHBondContact O-N 3.4Å; R398-S416 WeakPolarHBondContact CD-O 3.39Å; R398-S416 PolarHBondContact NH1-O 3.35Å |
| 399 | K | 92.4 | Very high | 93.7 | Very high | 162 Ų | 162 | 70 Ų | 70 | 70% | 0.704 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -74.2 | -33.3 | 173.3 | -59.7 | -177.5 | 176.4 | -173.6 | 0 | 112 | H396 Y397 | H396-K399 WeakPolarHBondContact O-CA 3.33Å; H396-K399 WeakPolarHBondContact O-CB 3.44Å; H396-K399 WeakPolarHBondContact O-CG 3.31Å; H396-K399 PolarHBondContact O-N 3.13Å; Y397-K399 PolarHBondContact O-N 3.35Å; Y397-K399 VanDerWaalsContact O-N 3.09Å |
| 400 | H | 92.9 | Very high | 93.9 | Very high | 55 Ų | 55 | 69.7 Ų | 69.7 | 26% | 0.255 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -76 | -46.6 | 177 | -67.9 | -64.2 | 0 | 0 | 0 | 111.4 | C378 W380 C383 H396 Y397 G402 | C378-H400 PolarHBondContact SG-NE2 3.46Å; W380-H400 AromaticContact CD1-CE1 3.66Å; W380-H400 AromaticContact CD1-CG 3.98Å; W380-H400 AromaticContact CD1-ND1 3.4Å; W380-H400 HydrophobicContact CD2-CB 3.42Å; W380-H400 VanDerWaalsContact CD2-CB 3.42Å; W380-H400 AromaticContact CD2-CG 3.49Å; W380-H400 VanDerWaalsContact CD2-CG 3.49Å; W380-H400 AromaticContact CD2-ND1 3.69Å; W380-H400 AromaticContact CE2-CG 3.94Å; W380-H400 AromaticContact CE2-ND1 3.82Å; W380-H400 HydrophobicContact CE3-CB 3.36Å; W380-H400 AromaticContact CE3-CG 3.85Å; W380-H400 HydrophobicContact CG-CB 4.04Å; W380-H400 AromaticContact CG-CD2 3.84Å; W380-H400 AromaticContact CG-CE1 3.68Å; W380-H400 AromaticContact CG-CG 3.53Å; W380-H400 AromaticContact CG-ND1 3.42Å; W380-H400 AromaticContact CG-NE2 3.96Å; W380-H400 HydrophobicContact CH2-CB 3.88Å; W380-H400 HydrophobicContact CZ2-CB 3.95Å; W380-H400 HydrophobicContact CZ3-CB 3.6Å; W380-H400 AromaticContact NE1-ND1 3.65Å; C383-H400 PolarHBondContact SG-NE2 3.42Å; H396-H400 AromaticContact CD2-NE2 3.87Å; H396-H400 AromaticContact CE1-NE2 3.73Å; H396-H400 AromaticContact NE2-CD2 3.8Å; H396-H400 AromaticContact NE2-NE2 3.13Å; H396-H400 PolarHBondContact NE2-NE2 3.12Å; H396-H400 VanDerWaalsContact NE2-NE2 3.13Å; Y397-H400 WeakPolarHBondContact O-CB 3.49Å; Y397-H400 PolarHBondContact O-N 3.05Å; H400-G402 VanDerWaalsContact C-N 3.31Å; H400-G402 PolarHBondContact O-N 3.24Å |
| 401 | T | 93 | Very high | 94.2 | Very high | 62 Ų | 62 | 69.7 Ų | 69.7 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -80.4 | -12 | -177.2 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | W380 Y397 H403 | W380-T401 HydrophobicContact CZ3-CG2 4.05Å; Y397-T401 PolarHBondContact O-N 2.84Å; Y397-T401 VanDerWaalsContact O-N 3.12Å; Y397-T401 PolarHBondContact O-OG1 2.91Å; T401-H403 PolarHBondContact O-N 3.05Å; T401-H403 VanDerWaalsContact O-N 3.16Å; T401-H403 VanDerWaalsContact OG1-CB 3.29Å; T401-H403 WeakPolarHBondContact OG1-CB 3.3Å; T401-H403 PolarHBondContact OG1-N 3.31Å |
| 402 | G | 92.4 | Very high | 94.3 | Very high | 50 Ų | 50 | 75.1 Ų | 75.1 | 52% | 0.515 | 37% | 0.366 | S | S | . | . | trans | 65.6 | 10.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R398 H400 R404 | R398-G402 CarbonylContact O-C 3.29Å; R398-G402 WeakPolarHBondContact O-CA 3.4Å; R398-G402 PolarHBondContact O-N 3.13Å; R398-G402 VanDerWaalsContact O-N 3.09Å; H400-G402 VanDerWaalsContact C-N 3.31Å; H400-G402 PolarHBondContact O-N 3.24Å; G402-R404 WeakPolarHBondContact O-CG 3.46Å; G402-R404 PolarHBondContact O-N 3.27Å | ||
| 403 | H | 93.8 | Very high | 94.4 | Very high | 73 Ų | 73 | 79.7 Ų | 79.7 | 34% | 0.338 | 38% | 0.381 | S | S | . | . | trans | -63.5 | 124 | -174.2 | -177.2 | -129.5 | 0 | 0 | 0 | 112 | R398 T401 S416 | R398-H403 HydrophobicContact CG-CB 4.33Å; R398-H403 PolarHBondContact O-N 3.4Å; T401-H403 PolarHBondContact O-N 3.05Å; T401-H403 VanDerWaalsContact O-N 3.16Å; T401-H403 VanDerWaalsContact OG1-CB 3.29Å; T401-H403 WeakPolarHBondContact OG1-CB 3.3Å; T401-H403 PolarHBondContact OG1-N 3.31Å; H403-S416 WeakPolarHBondContact O-CB 3.4Å | ||
| 404 | R | 93.9 | Very high | 94.5 | Very high | 151 Ų | 151 | 79.3 Ų | 79.3 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | trans | -128.6 | 78.3 | -175.4 | -74.7 | 175.2 | 148 | -159.2 | -5.8 | 111.4 | G402 F406 A414 F415 | G402-R404 WeakPolarHBondContact O-CG 3.46Å; G402-R404 PolarHBondContact O-N 3.27Å; R404-F406 PolarHBondContact O-N 3.14Å; R404-A414 HydrophobicContact CB-CB 3.88Å; R404-A414 WeakPolarHBondContact CD-O 3.37Å; R404-A414 PolarHBondContact NE-O 3.24Å; R404-A414 PolarHBondContact NH1-O 3.42Å; R404-F415 CarbonylContact C-O 3.56Å; R404-F415 WeakPolarHBondContact CA-O 3.29Å | ||
| 405 | P | 92.9 | Very high | 94.5 | Very high | 53 Ų | 53 | 79.7 Ų | 79.7 | 34% | 0.344 | 38% | 0.381 | S | S | . | . | trans | -73 | -13 | -174.4 | 27.1 | -33.1 | 0 | 0 | 0 | 114.1 | ||||
| 406 | F | 96 | Very high | 94.6 | Very high | 62 Ų | 62 | 76.6 Ų | 76.6 | 27% | 0.272 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 94.5 | -174.3 | -57.1 | -76.6 | 0 | 0 | 0 | 111.4 | R404 A414 F415 L421 | R404-F406 PolarHBondContact O-N 3.14Å; F406-A414 CarbonylContact O-C 3.55Å; F406-A414 WeakPolarHBondContact O-CA 3.47Å; F406-F415 HydrophobicContact CB-CB 4.3Å; F406-F415 WeakPolarHBondContact CB-O 3.45Å; F406-F415 WeakPolarHBondContact CD2-O 3.3Å; F406-F415 PolarHBondContact N-O 3.35Å; F406-F415 PolarHBondContact O-N 3.36Å; F406-L421 HydrophobicContact CB-CB 4.18Å; F406-L421 HydrophobicContact CB-CD2 3.99Å |
| 407 | Q | 96.3 | Very high | 94.6 | Very high | 134 Ų | 134 | 79.2 Ų | 79.2 | 63% | 0.626 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 139.5 | 177.9 | -167.2 | 167.1 | -0.2 | 0 | 0 | 112 | A414 | Q407-A414 HydrophobicContact CB-CB 4.49Å |
| 408 | C | 97.3 | Very high | 94.7 | Very high | 6 Ų | 6 | 80.7 Ų | 80.7 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | trans | -73.3 | 139.9 | 168.7 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | L410 C411 R413 L421 H428 | C408-L410 PolarHBondContact SG-N 3.47Å; C408-L410 VanDerWaalsContact SG-N 3.43Å; C408-C411 CarbonylContact C-O 3.51Å; C408-C411 WeakPolarHBondContact CB-O 3.44Å; C408-R413 VanDerWaalsContact CB-O 3.32Å; C408-R413 WeakPolarHBondContact CB-O 3.43Å; C408-R413 PolarHBondContact N-O 3.24Å; C408-L421 HydrophobicContact CB-CD1 3.87Å; C408-H428 PolarHBondContact SG-NE2 2.96Å | ||
| 409 | H | 95.3 | Very high | 94.7 | Very high | 152 Ų | 152 | 82 Ų | 82 | 70% | 0.704 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -90.3 | -11.7 | 177.7 | 60.5 | -85.2 | 0 | 0 | 0 | 113 | M425 | H409-M425 WeakPolarHBondContact CE1-CE 3.27Š|
| 410 | L | 95.4 | Very high | 94.9 | Very high | 101 Ų | 101 | 77.9 Ų | 77.9 | 53% | 0.529 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -99 | -16.8 | 179 | -58.9 | 177.8 | 0 | 0 | 0 | 112.5 | C408 M425 H428 | C408-L410 PolarHBondContact SG-N 3.47Å; C408-L410 VanDerWaalsContact SG-N 3.43Å; L410-M425 HydrophobicContact CD1-CE 3.56Å; L410-M425 HydrophobicContact CG-CE 4.07Å; L410-H428 HydrophobicContact CD1-CB 3.46Å; L410-H428 VanDerWaalsContact CD1-CB 3.46Å |
| 411 | C | 96.3 | Very high | 95.1 | Very high | 40 Ų | 40 | 76.8 Ų | 76.8 | 27% | 0.27 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -152.6 | 168.7 | 173.2 | 73.4 | 0 | 0 | 0 | 0 | 110.9 | C408 R413 H424 H428 | C408-C411 CarbonylContact C-O 3.51Å; C408-C411 WeakPolarHBondContact CB-O 3.44Å; C411-R413 PolarHBondContact O-N 3.44Å; C411-H424 PolarHBondContact SG-NE2 3.07Å; C411-H428 PolarHBondContact SG-NE2 3.2Å |
| 412 | E | 94.4 | Very high | 95.2 | Very high | 184 Ų | 184 | 76.4 Ų | 76.4 | 86% | 0.86 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -75.7 | 9.1 | -174.3 | -60.8 | 177.6 | 176.3 | 0 | 0 | 114.6 | A414 | E412-A414 PolarHBondContact O-N 3.21Š|
| 413 | R | 95.4 | Very high | 95.4 | Very high | 146 Ų | 146 | 79 Ų | 79 | 55% | 0.551 | 39% | 0.394 | S | S | * | . | trans | -76.9 | 127.5 | -178.8 | -71.9 | -176.8 | 167.6 | 174.5 | -2.5 | 111.4 | C408 C411 F415 | C408-R413 VanDerWaalsContact CB-O 3.32Å; C408-R413 WeakPolarHBondContact CB-O 3.43Å; C408-R413 PolarHBondContact N-O 3.24Å; C411-R413 PolarHBondContact O-N 3.44Å; R413-F415 HydrophobicContact CB-CE2 3.9Å; R413-F415 HydrophobicContact CB-CZ 3.92Å | ||
| 414 | A | 96.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 75.9 Ų | 75.9 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 149.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R404 F406 Q407 E412 | R404-A414 HydrophobicContact CB-CB 3.88Å; R404-A414 WeakPolarHBondContact CD-O 3.37Å; R404-A414 PolarHBondContact NE-O 3.24Å; R404-A414 PolarHBondContact NH1-O 3.42Å; F406-A414 CarbonylContact O-C 3.55Å; F406-A414 WeakPolarHBondContact O-CA 3.47Å; Q407-A414 HydrophobicContact CB-CB 4.49Å; E412-A414 PolarHBondContact O-N 3.21Å |
| 415 | F | 95.4 | Very high | 95.7 | Very high | 32 Ų | 32 | 70.5 Ų | 70.5 | 14% | 0.14 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 148.6 | -174.2 | -57.3 | -88.8 | 0 | 0 | 0 | 110.9 | R404 F406 R413 R417 H420 L421 H424 | R404-F415 CarbonylContact C-O 3.56Å; R404-F415 WeakPolarHBondContact CA-O 3.29Å; F406-F415 HydrophobicContact CB-CB 4.3Å; F406-F415 WeakPolarHBondContact CB-O 3.45Å; F406-F415 WeakPolarHBondContact CD2-O 3.3Å; F406-F415 PolarHBondContact N-O 3.35Å; F406-F415 PolarHBondContact O-N 3.36Å; R413-F415 HydrophobicContact CB-CE2 3.9Å; R413-F415 HydrophobicContact CB-CZ 3.92Å; F415-R417 VanDerWaalsContact C-N 3.29Å; F415-H420 HydrophobicContact CB-CB 4.15Å; F415-H420 HydrophobicContact CD1-CB 3.88Å; F415-H420 HydrophobicContact CG-CB 4.25Å; F415-L421 HydrophobicContact CB-CB 4.43Å; F415-L421 HydrophobicContact CD2-CB 3.92Å; F415-L421 HydrophobicContact CD2-CD1 3.84Å; F415-L421 HydrophobicContact CD2-CG 4.48Å; F415-L421 HydrophobicContact CE2-CD1 3.95Å; F415-L421 HydrophobicContact CG-CB 4.33Å; F415-H424 HydrophobicContact CE1-CB 4Å; F415-H424 HydrophobicContact CE2-CB 3.86Å; F415-H424 AromaticContact CE2-CD2 3.32Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.29Å; F415-H424 AromaticContact CE2-CG 3.66Å; F415-H424 HydrophobicContact CZ-CB 3.41Å; F415-H424 VanDerWaalsContact CZ-CB 3.41Å; F415-H424 AromaticContact CZ-CD2 3.4Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.35Å; F415-H424 AromaticContact CZ-CG 3.26Å; F415-H424 AromaticContact CZ-ND1 3.97Å |
| 416 | S | 94.6 | Very high | 95.8 | Very high | 32 Ų | 32 | 74.5 Ų | 74.5 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -81.4 | -9.6 | 176.6 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | R398 H403 | R398-S416 WeakPolarHBondContact CD-O 3.39Å; R398-S416 PolarHBondContact NH1-O 3.35Å; H403-S416 WeakPolarHBondContact O-CB 3.4Å |
| 417 | R | 94.4 | Very high | 95.8 | Very high | 71 Ų | 71 | 80.2 Ų | 80.2 | 27% | 0.268 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -140.5 | 145.7 | -179.1 | -56.4 | 160.8 | 54.9 | 161.1 | -2.4 | 111.6 | R395 F415 D419 H420 L421 | R395-R417 HydrophobicContact CG-CG 4.21Å; F415-R417 VanDerWaalsContact C-N 3.29Å; R417-D419 WeakPolarHBondContact CB-OD1 3.17Å; R417-D419 IonicContact CZ-OD1 3.65Å; R417-D419 IonicContact CZ-OD2 3.39Å; R417-D419 IonicContact NE-OD1 2.94Å; R417-D419 PolarHBondContact NE-OD1 3.02Å; R417-D419 IonicContact NE-OD2 3.5Å; R417-D419 PolarHBondContact NE-OD2 3.48Å; R417-D419 IonicContact NH2-OD1 3.58Å; R417-D419 IonicContact NH2-OD2 2.67Å; R417-D419 PolarHBondContact NH2-OD2 3.14Å; R417-H420 HydrophobicContact CB-CB 4.45Å; R417-H420 WeakPolarHBondContact CD-NE2 3.41Å; R417-H420 PolarHBondContact NE-NE2 3.18Å; R417-H420 PolarHBondContact O-N 2.78Å; R417-L421 PolarHBondContact O-N 2.94Å |
| 418 | S | 95.7 | Very high | 95.6 | Very high | 71 Ų | 71 | 77.5 Ų | 77.5 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.4 | -34.3 | -178.9 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | H420 L421 A422 | S418-H420 VanDerWaalsContact C-N 3.3Å; S418-H420 PolarHBondContact O-N 3.16Å; S418-L421 WeakPolarHBondContact O-CB 3.33Å; S418-L421 PolarHBondContact O-N 2.72Å; S418-A422 PolarHBondContact O-N 2.67Å |
| 419 | D | 95.3 | Very high | 95.1 | Very high | 64 Ų | 64 | 87.3 Ų | 87.3 | 34% | 0.342 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.2 | -34.7 | 176.9 | 63.1 | -41.3 | 0 | 0 | 0 | 111.9 | R417 A422 L423 | R417-D419 WeakPolarHBondContact CB-OD1 3.17Å; R417-D419 IonicContact CZ-OD1 3.65Å; R417-D419 IonicContact CZ-OD2 3.39Å; R417-D419 IonicContact NE-OD1 2.94Å; R417-D419 PolarHBondContact NE-OD1 3.02Å; R417-D419 IonicContact NE-OD2 3.5Å; R417-D419 PolarHBondContact NE-OD2 3.48Å; R417-D419 IonicContact NH2-OD1 3.58Å; R417-D419 IonicContact NH2-OD2 2.67Å; R417-D419 PolarHBondContact NH2-OD2 3.14Å; D419-A422 PolarHBondContact O-N 2.78Å; D419-L423 WeakPolarHBondContact O-CG 3.37Å; D419-L423 PolarHBondContact O-N 2.83Å |
| 420 | H | 95.9 | Very high | 95.1 | Very high | 74 Ų | 74 | 84.1 Ų | 84.1 | 34% | 0.343 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.5 | -41.7 | 172.8 | -68.1 | -162.4 | 0 | 0 | 0 | 111.6 | F415 R417 S418 L423 H424 | F415-H420 HydrophobicContact CB-CB 4.15Å; F415-H420 HydrophobicContact CD1-CB 3.88Å; F415-H420 HydrophobicContact CG-CB 4.25Å; R417-H420 HydrophobicContact CB-CB 4.45Å; R417-H420 WeakPolarHBondContact CD-NE2 3.41Å; R417-H420 PolarHBondContact NE-NE2 3.18Å; R417-H420 PolarHBondContact O-N 2.78Å; S418-H420 VanDerWaalsContact C-N 3.3Å; S418-H420 PolarHBondContact O-N 3.16Å; H420-L423 PolarHBondContact O-N 2.91Å; H420-H424 WeakPolarHBondContact O-CB 3.38Å; H420-H424 PolarHBondContact O-N 2.83Å |
| 421 | L | 96.6 | Very high | 95.1 | Very high | 32 Ų | 32 | 83.2 Ų | 83.2 | 17% | 0.168 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61 | -47.2 | 172.4 | 173.6 | 62.3 | 0 | 0 | 0 | 110.5 | F406 C408 F415 R417 S418 L423 H424 M425 | F406-L421 HydrophobicContact CB-CB 4.18Å; F406-L421 HydrophobicContact CB-CD2 3.99Å; C408-L421 HydrophobicContact CB-CD1 3.87Å; F415-L421 HydrophobicContact CB-CB 4.43Å; F415-L421 HydrophobicContact CD2-CB 3.92Å; F415-L421 HydrophobicContact CD2-CD1 3.84Å; F415-L421 HydrophobicContact CD2-CG 4.48Å; F415-L421 HydrophobicContact CE2-CD1 3.95Å; F415-L421 HydrophobicContact CG-CB 4.33Å; R417-L421 PolarHBondContact O-N 2.94Å; S418-L421 WeakPolarHBondContact O-CB 3.33Å; S418-L421 PolarHBondContact O-N 2.72Å; L421-L423 VanDerWaalsContact C-N 3.35Å; L421-L423 PolarHBondContact O-N 3.13Å; L421-H424 CarbonylContact O-C 3.52Å; L421-H424 WeakPolarHBondContact O-CA 3.42Å; L421-H424 WeakPolarHBondContact O-CB 3.37Å; L421-H424 PolarHBondContact O-N 2.89Å; L421-M425 HydrophobicContact CD1-CG 4.18Å; L421-M425 HydrophobicContact CD1-SD 4.01Å; L421-M425 HydrophobicContact CG-CG 4.37Å; L421-M425 WeakPolarHBondContact O-CG 3.42Å; L421-M425 PolarHBondContact O-N 2.78Å |
| 422 | A | 96.3 | Very high | 95 | Very high | 55 Ų | 55 | 85.6 Ų | 85.6 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S418 D419 H424 M425 | S418-A422 PolarHBondContact O-N 2.67Å; D419-A422 PolarHBondContact O-N 2.78Å; A422-H424 VanDerWaalsContact C-N 3.34Å; A422-M425 PolarHBondContact O-N 3.43Å |
| 423 | L | 96.8 | Very high | 95 | Very high | 104 Ų | 104 | 79.8 Ų | 79.8 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 172.9 | -72.2 | 173.6 | 0 | 0 | 0 | 112.1 | D419 H420 L421 K426 | D419-L423 WeakPolarHBondContact O-CG 3.37Å; D419-L423 PolarHBondContact O-N 2.83Å; H420-L423 PolarHBondContact O-N 2.91Å; L421-L423 VanDerWaalsContact C-N 3.35Å; L421-L423 PolarHBondContact O-N 3.13Å; L423-K426 HydrophobicContact CD2-CD 4.48Å; L423-K426 WeakPolarHBondContact O-CB 3.38Å; L423-K426 PolarHBondContact O-N 2.9Å |
| 424 | H | 96.4 | Very high | 95 | Very high | 7 Ų | 7 | 75.6 Ų | 75.6 | 3% | 0.032 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 175.2 | 170.4 | 54.8 | 0 | 0 | 0 | 112.3 | C411 F415 H420 L421 A422 K426 R427 H428 | C411-H424 PolarHBondContact SG-NE2 3.07Å; F415-H424 HydrophobicContact CE1-CB 4Å; F415-H424 HydrophobicContact CE2-CB 3.86Å; F415-H424 AromaticContact CE2-CD2 3.32Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.29Å; F415-H424 AromaticContact CE2-CG 3.66Å; F415-H424 HydrophobicContact CZ-CB 3.41Å; F415-H424 VanDerWaalsContact CZ-CB 3.41Å; F415-H424 AromaticContact CZ-CD2 3.4Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.35Å; F415-H424 AromaticContact CZ-CG 3.26Å; F415-H424 AromaticContact CZ-ND1 3.97Å; H420-H424 WeakPolarHBondContact O-CB 3.38Å; H420-H424 PolarHBondContact O-N 2.83Å; L421-H424 CarbonylContact O-C 3.52Å; L421-H424 WeakPolarHBondContact O-CA 3.42Å; L421-H424 WeakPolarHBondContact O-CB 3.37Å; L421-H424 PolarHBondContact O-N 2.89Å; A422-H424 VanDerWaalsContact C-N 3.34Å; H424-K426 PolarHBondContact O-N 2.8Å; H424-K426 VanDerWaalsContact O-N 3.16Å; H424-R427 VanDerWaalsContact O-CB 3.29Å; H424-R427 WeakPolarHBondContact O-CB 3.24Å; H424-R427 PolarHBondContact O-N 3.31Å; H424-H428 AromaticContact CD2-NE2 3.99Å; H424-H428 AromaticContact CE1-CD2 3.99Å; H424-H428 AromaticContact CE1-NE2 3.29Å; H424-H428 PolarHBondContact CE1-NE2 2.7Å; H424-H428 VanDerWaalsContact CE1-NE2 3.29Å; H424-H428 AromaticContact NE2-CD2 3.76Å; H424-H428 AromaticContact NE2-NE2 3.04Å; H424-H428 PolarHBondContact NE2-NE2 2.68Å |
| 425 | M | 96.2 | Very high | 95 | Very high | 38 Ų | 38 | 79.2 Ų | 79.2 | 19% | 0.187 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.9 | -29.4 | 178.8 | -69.6 | -52 | -57.2 | 0 | 0 | 112.6 | H409 L410 L421 A422 R427 H428 | H409-M425 WeakPolarHBondContact CE1-CE 3.27Å; L410-M425 HydrophobicContact CD1-CE 3.56Å; L410-M425 HydrophobicContact CG-CE 4.07Å; L421-M425 HydrophobicContact CD1-CG 4.18Å; L421-M425 HydrophobicContact CD1-SD 4.01Å; L421-M425 HydrophobicContact CG-CG 4.37Å; L421-M425 WeakPolarHBondContact O-CG 3.42Å; L421-M425 PolarHBondContact O-N 2.78Å; A422-M425 PolarHBondContact O-N 3.43Å; M425-R427 PolarHBondContact O-N 2.8Å; M425-R427 VanDerWaalsContact O-N 3.13Å; M425-H428 PolarHBondContact O-N 2.97Å |
| 426 | K | 96.6 | Very high | 94.9 | Very high | 137 Ų | 137 | 82.6 Ų | 82.6 | 60% | 0.596 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -12.8 | 174.5 | -60.1 | -176.9 | 178.7 | -175.7 | 0 | 114.2 | L423 H424 | L423-K426 HydrophobicContact CD2-CD 4.48Å; L423-K426 WeakPolarHBondContact O-CB 3.38Å; L423-K426 PolarHBondContact O-N 2.9Å; H424-K426 PolarHBondContact O-N 2.8Å; H424-K426 VanDerWaalsContact O-N 3.16Å |
| 427 | R | 94.7 | Very high | 95 | Very high | 182 Ų | 182 | 86.5 Ų | 86.5 | 69% | 0.687 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -12.1 | 175.6 | -59 | 178.1 | 176.9 | 165 | -3.7 | 112.7 | H424 M425 | H424-R427 VanDerWaalsContact O-CB 3.29Å; H424-R427 WeakPolarHBondContact O-CB 3.24Å; H424-R427 PolarHBondContact O-N 3.31Å; M425-R427 PolarHBondContact O-N 2.8Å; M425-R427 VanDerWaalsContact O-N 3.13Å |
| 428 | H | 92.1 | Very high | 95 | Very high | 77 Ų | 77 | 87.8 Ų | 87.8 | 36% | 0.356 | 44% | 0.438 | S | S | . | . | trans | -102.8 | -0.7 | 175.4 | -60.9 | -64.6 | 0 | 0 | 0 | 112.4 | C408 L410 C411 H424 M425 | C408-H428 PolarHBondContact SG-NE2 2.96Å; L410-H428 HydrophobicContact CD1-CB 3.46Å; L410-H428 VanDerWaalsContact CD1-CB 3.46Å; C411-H428 PolarHBondContact SG-NE2 3.2Å; H424-H428 AromaticContact CD2-NE2 3.99Å; H424-H428 AromaticContact CE1-CD2 3.99Å; H424-H428 AromaticContact CE1-NE2 3.29Å; H424-H428 PolarHBondContact CE1-NE2 2.7Å; H424-H428 VanDerWaalsContact CE1-NE2 3.29Å; H424-H428 AromaticContact NE2-CD2 3.76Å; H424-H428 AromaticContact NE2-NE2 3.04Å; H424-H428 PolarHBondContact NE2-NE2 2.68Å; M425-H428 PolarHBondContact O-N 2.97Å | ||
| 429 | M | 87.6 | Confident | 94.9 | Very high | 212 Ų | 212 | 89.3 Ų | 89.3 | 100% | 1.044 | 43% | 0.432 | S | S | * | . | trans | -99.9 | 0 | 170.3 | -64.9 | -177.9 | 145.9 | 0 | 0 | 107.6 |
Retrieved 429 of 429 residues in 383.8 ms
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