| 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 | 37.6 | Very low | 33.6 | Very low | 238 Ų | 238 | 152.3 Ų | 152.3 | 100% | 1.172 | 85% | 0.852 | S | S | * | * | 0 | 107.3 | 0 | -69.5 | 173.5 | 82.2 | 0 | 0 | 107.4 | G3 | M1-G3 PolarHBondContact O-N 3.47Š| |||
| 2 | N | 33.4 | Very low | 33.4 | Very low | 171 Ų | 171 | 151.3 Ų | 151.3 | 91% | 0.914 | 85% | 0.853 | S | S | * | * | trans | -80.7 | 113.3 | -172 | -68.8 | -21.9 | 0 | 0 | 0 | 110.1 | A4 | N2-A4 PolarHBondContact O-N 3.31Š| ||
| 3 | G | 33.7 | Very low | 33.4 | Very low | 65 Ų | 65 | 148.3 Ų | 148.3 | 67% | 0.67 | 85% | 0.848 | S | S | * | * | trans | -78.2 | 100.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | M1 F5 | M1-G3 PolarHBondContact O-N 3.47Å; G3-F5 PolarHBondContact O-N 2.58Å | ||
| 4 | A | 36.3 | Very low | 33.3 | Very low | 96 Ų | 96 | 148.6 Ų | 148.6 | 79% | 0.793 | 84% | 0.844 | S | S | * | * | trans | -71.8 | 107.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | N2 V6 | N2-A4 PolarHBondContact O-N 3.31Å; A4-V6 PolarHBondContact O-N 2.83Å | ||
| 5 | F | 34.1 | Very low | 33.6 | Very low | 207 Ų | 207 | 146.5 Ų | 146.5 | 91% | 0.908 | 84% | 0.839 | S | S | * | * | trans | -70.7 | 114.1 | 171.9 | -79 | -92.3 | 0 | 0 | 0 | 109.7 | G3 R7 | G3-F5 PolarHBondContact O-N 2.58Å; F5-R7 PolarHBondContact O-N 2.91Å | ||
| 6 | V | 34 | Very low | 33.7 | Very low | 145 Ų | 145 | 150.1 Ų | 150.1 | 88% | 0.879 | 84% | 0.843 | S | S | * | * | trans | -69.6 | 109.2 | 172.4 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | A4 G8 | A4-V6 PolarHBondContact O-N 2.83Å; V6-G8 PolarHBondContact O-N 3.35Å | ||
| 7 | R | 32.6 | Very low | 33.6 | Very low | 222 Ų | 222 | 145.5 Ų | 145.5 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | trans | -69.6 | 107.4 | 176.9 | -166.7 | 179 | -165.2 | -170.9 | 2.3 | 109.1 | F5 Q9 | F5-R7 PolarHBondContact O-N 2.91Å; R7-Q9 PolarHBondContact O-N 3.47Å | ||
| 8 | G | 32.9 | Very low | 34.2 | Very low | 65 Ų | 65 | 144.2 Ų | 144.2 | 67% | 0.67 | 83% | 0.834 | S | S | * | * | trans | -61.2 | 126.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V6 E10 | V6-G8 PolarHBondContact O-N 3.35Å; G8-E10 PolarHBondContact O-N 2.79Å | ||
| 9 | Q | 31.2 | Very low | 34 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | trans | -57.9 | 130.4 | 177.9 | -77.4 | 177.8 | -1 | 0 | 0 | 111.1 | R7 A11 | R7-Q9 PolarHBondContact O-N 3.47Å; Q9-A11 PolarHBondContact O-N 3.45Å | ||
| 10 | E | 32.1 | Very low | 34 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -65.8 | 108.6 | 174.1 | -71.1 | 171.2 | 163 | 0 | 0 | 109.5 | G8 T12 | G8-E10 PolarHBondContact O-N 2.79Å; E10-T12 PolarHBondContact O-N 2.84Å; E10-T12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | A | 32.4 | Very low | 33.8 | Very low | 98 Ų | 98 | 151 Ų | 151 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | trans | -68.4 | 107.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q9 S13 | Q9-A11 PolarHBondContact O-N 3.45Å; A11-S13 PolarHBondContact O-N 2.82Å; A11-S13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | T | 31.3 | Very low | 33.5 | Very low | 140 Ų | 140 | 149.5 Ų | 149.5 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -53.1 | 111.3 | -179.3 | -37.5 | 0 | 0 | 0 | 0 | 110.9 | E10 | E10-T12 PolarHBondContact O-N 2.84Å; E10-T12 VanDerWaalsContact O-N 3.13Å | ||
| 13 | S | 32.7 | Very low | 33.2 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 119 | 176.5 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | A11 | A11-S13 PolarHBondContact O-N 2.82Å; A11-S13 VanDerWaalsContact O-N 3.15Å |
| 14 | L | 31.7 | Very low | 33.1 | Very low | 152 Ų | 152 | 156.4 Ų | 156.4 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 145.6 | 167.9 | -83.5 | 150.7 | 0 | 0 | 0 | 111.3 | ||
| 15 | P | 38.6 | Very low | 32.8 | Very low | 118 Ų | 118 | 159.8 Ų | 159.8 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 122.7 | -167.9 | 34.1 | -30.7 | 0 | 0 | 0 | 111.3 | ||
| 16 | F | 35.1 | Very low | 32.6 | Very low | 204 Ų | 204 | 156 Ų | 156 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | -111.7 | 123.3 | 164.3 | -86.8 | -83.8 | 0 | 0 | 0 | 109.5 | ||||
| 17 | G | 31.4 | Very low | 32.6 | Very low | 72 Ų | 72 | 155 Ų | 155 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -72 | -172.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 18 | P | 44.4 | Very low | 32.8 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -93.9 | 150.5 | -152.9 | 36.9 | -33.3 | 0 | 0 | 0 | 112.4 | ||||
| 19 | L | 30.2 | Very low | 32.7 | Very low | 166 Ų | 166 | 158.1 Ų | 158.1 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | 158.5 | 118.3 | 162.2 | -88.4 | 161.5 | 0 | 0 | 0 | 103.8 | ||||
| 20 | Q | 34.5 | Very low | 32.7 | Very low | 171 Ų | 171 | 157.3 Ų | 157.3 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | -160.4 | 137.7 | 50.4 | -67.1 | -178.3 | -15.7 | 0 | 0 | 108.5 | R22 | Q20-R22 PolarHBondContact O-N 3.27Š| |||
| 21 | R | 29.6 | Very low | 32.5 | Very low | 239 Ų | 239 | 160.1 Ų | 160.1 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -48.3 | 106.9 | 171.3 | -71.5 | 175.1 | 172.6 | 176.7 | -3.7 | 110.3 | ||||
| 22 | R | 31.2 | Very low | 32.7 | Very low | 205 Ų | 205 | 161.2 Ų | 161.2 | 77% | 0.774 | 82% | 0.823 | S | S | * | * | trans | -81.1 | 116.8 | 163.2 | -75.6 | -174.8 | 173.4 | -178.9 | -1.2 | 107.3 | Q20 Y24 | Q20-R22 PolarHBondContact O-N 3.27Å; R22-Y24 HydrophobicContact CB-CD2 4.47Å; R22-Y24 HydrophobicContact CB-CE2 3.94Å; R22-Y24 WeakPolarHBondContact O-CD2 3.32Å; R22-Y24 PolarHBondContact O-N 3.06Å | ||
| 23 | H | 28.3 | Very low | 32.8 | Very low | 186 Ų | 186 | 163.2 Ų | 163.2 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | trans | -58.3 | 97.9 | 173.4 | -63.4 | -84.6 | 0 | 0 | 0 | 109.5 | ||||
| 24 | Y | 31.2 | Very low | 32.7 | Very low | 195 Ų | 195 | 165.4 Ų | 165.4 | 77% | 0.765 | 83% | 0.825 | S | S | * | * | trans | -84.3 | 118.8 | 165.9 | -71.1 | -82.7 | 0 | 0 | 0 | 107.3 | R22 T26 | R22-Y24 HydrophobicContact CB-CD2 4.47Å; R22-Y24 HydrophobicContact CB-CE2 3.94Å; R22-Y24 WeakPolarHBondContact O-CD2 3.32Å; R22-Y24 PolarHBondContact O-N 3.06Å; Y24-T26 PolarHBondContact O-N 3.5Å | ||
| 25 | L | 30.1 | Very low | 32.6 | Very low | 168 Ų | 168 | 164.6 Ų | 164.6 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | trans | -44.1 | 123.1 | 173.3 | -66.7 | 158.5 | 0 | 0 | 0 | 109.8 | P27 | L25-P27 WeakPolarHBondContact O-CD 3.11Š| ||
| 26 | T | 29.4 | Very low | 32.1 | Very low | 127 Ų | 127 | 162.4 Ų | 162.4 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 121.2 | 175 | 37.4 | 0 | 0 | 0 | 0 | 109.9 | Y24 I28 | Y24-T26 PolarHBondContact O-N 3.5Å; T26-I28 PolarHBondContact O-N 3.08Å |
| 27 | P | 34.9 | Very low | 31.8 | Very low | 123 Ų | 123 | 159.8 Ų | 159.8 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 126 | 173.7 | -18.5 | 30.4 | 0 | 0 | 0 | 109.6 | L25 E29 | L25-P27 WeakPolarHBondContact O-CD 3.11Å; P27-E29 PolarHBondContact O-N 2.82Å |
| 28 | I | 34.7 | Very low | 31.9 | Very low | 156 Ų | 156 | 162.2 Ų | 162.2 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 121.1 | 173.7 | -65 | 165.4 | 0 | 0 | 0 | 108 | T26 E30 | T26-I28 PolarHBondContact O-N 3.08Å; I28-E30 VanDerWaalsContact C-N 3.31Å; I28-E30 HydrophobicContact CG2-CG 4.47Å; I28-E30 PolarHBondContact O-N 3.45Å |
| 29 | E | 30.9 | Very low | 31.3 | Very low | 197 Ų | 197 | 160.3 Ų | 160.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -73.6 | 79.9 | 178 | -166.4 | 177.7 | -161.4 | 0 | 0 | 108.8 | P27 | P27-E29 PolarHBondContact O-N 2.82Š| ||
| 30 | E | 32.3 | Very low | 31.3 | Very low | 180 Ų | 180 | 159.7 Ų | 159.7 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -85.7 | 112.6 | 168.2 | -96.8 | -176.5 | 169 | 0 | 0 | 109.8 | I28 | I28-E30 VanDerWaalsContact C-N 3.31Å; I28-E30 HydrophobicContact CG2-CG 4.47Å; I28-E30 PolarHBondContact O-N 3.45Å | ||
| 31 | R | 27.8 | Very low | 31 | Very low | 231 Ų | 231 | 154.7 Ų | 154.7 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -42.6 | 132.1 | 178.5 | -130.6 | 174.1 | 176.5 | 125.6 | -3.8 | 112.6 | E33 | R31-E33 PolarHBondContact O-N 3.06Š| ||
| 32 | P | 36.2 | Very low | 31.1 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -77.9 | 104.3 | 177.7 | 30 | -31.3 | 0 | 0 | 0 | 110.3 | N34 | P32-N34 PolarHBondContact O-N 3.17Š| ||
| 33 | E | 34.1 | Very low | 31 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -72.3 | 95.8 | 163 | -66.8 | -170.6 | 172.5 | 0 | 0 | 109 | R31 | R31-E33 PolarHBondContact O-N 3.06Š| ||
| 34 | N | 29.5 | Very low | 31.3 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 38.6 | 86.2 | 146 | -62.5 | -35.4 | 0 | 0 | 0 | 116.8 | P32 | P32-N34 PolarHBondContact O-N 3.17Š| ||
| 35 | V | 30.8 | Very low | 31.3 | Very low | 135 Ų | 135 | 142.1 Ų | 142.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -87.6 | 112.4 | 158.3 | -177.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 36 | G | 27.9 | Very low | 31.4 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -67.4 | 130.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 37 | L | 28.1 | Very low | 31.4 | Very low | 149 Ų | 149 | 140 Ų | 140 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -75.5 | 152.4 | 170.6 | -85.2 | 91 | 0 | 0 | 0 | 111.6 | ||||
| 38 | P | 33.5 | Very low | 31.2 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | -131.5 | 118.5 | 103.9 | 33.5 | -22.2 | 0 | 0 | 0 | 109.5 | |||||
| 39 | S | 31.4 | Very low | 31 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 57% | 0.573 | 80% | 0.795 | S | S | * | * | 45.8 | 97.7 | 73.2 | -146.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 40 | D | 30.5 | Very low | 31.1 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | 169.2 | 137 | 110.3 | -81.1 | -14.9 | 0 | 0 | 0 | 113 | |||||
| 41 | G | 27.9 | Very low | 31.1 | Very low | 66 Ų | 66 | 137.1 Ų | 137.1 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | 87.6 | 92.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 42 | N | 32.5 | Very low | 31.4 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | 166.6 | 119.1 | 97.5 | -90 | -10.7 | 0 | 0 | 0 | 111.9 | V44 | N42-V44 PolarHBondContact O-N 3.42Š| |||
| 43 | N | 30.1 | Very low | 31.4 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -69.9 | 118.3 | 167.4 | -65 | -51.3 | 0 | 0 | 0 | 109.3 | ||||
| 44 | V | 34.5 | Very low | 31.5 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -122.4 | 101.5 | 156 | -179.2 | 0 | 0 | 0 | 0 | 106.9 | N42 | N42-V44 PolarHBondContact O-N 3.42Š| ||
| 45 | A | 31 | Very low | 31.6 | Very low | 98 Ų | 98 | 126.1 Ų | 126.1 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -71.5 | 124.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 46 | A | 30.8 | Very low | 32 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -179.5 | 119.2 | 138.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 47 | D | 30.4 | Very low | 32.7 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | 112.1 | 110.7 | 133.7 | -144.4 | 9.5 | 0 | 0 | 0 | 117.8 | G49 | D47-G49 PolarHBondContact O-N 3.44Š| ||
| 48 | S | 30.6 | Very low | 33.3 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -75.4 | 79.2 | -177.3 | 49.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 49 | G | 30.3 | Very low | 33.6 | Very low | 55 Ų | 55 | 127 Ų | 127 | 57% | 0.567 | 77% | 0.771 | S | S | * | * | trans | -98.8 | 114.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | D47 R51 | D47-G49 PolarHBondContact O-N 3.44Å; G49-R51 PolarHBondContact O-N 2.72Å | ||
| 50 | M | 32.2 | Very low | 34.1 | Very low | 200 Ų | 200 | 127 Ų | 127 | 99% | 0.985 | 77% | 0.769 | S | S | * | * | trans | -58.5 | 65.3 | 168.6 | -75.3 | -94.2 | -134.6 | 0 | 0 | 110.9 | T52 | M50-T52 PolarHBondContact O-N 2.74Š| ||
| 51 | R | 33.3 | Very low | 34.9 | Very low | 226 Ų | 226 | 130.4 Ų | 130.4 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -85 | 100.2 | 166.7 | -72.1 | -173.5 | 175 | -143.4 | -0.4 | 104.1 | G49 A53 | G49-R51 PolarHBondContact O-N 2.72Å; R51-A53 PolarHBondContact O-N 3.49Å | ||
| 52 | T | 32.9 | Very low | 35.8 | Very low | 135 Ų | 135 | 136 Ų | 136 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | trans | -40.8 | 98.7 | 161.5 | 43.9 | 0 | 0 | 0 | 0 | 107.5 | M50 S54 | M50-T52 PolarHBondContact O-N 2.74Å; T52-S54 VanDerWaalsContact C-N 3.25Å; T52-S54 PolarHBondContact O-N 2.85Å | ||
| 53 | A | 37.1 | Very low | 36.1 | Very low | 91 Ų | 91 | 134.8 Ų | 134.8 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -64.1 | 98.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 104.8 | R51 T55 | R51-A53 PolarHBondContact O-N 3.49Å; A53-T55 PolarHBondContact O-N 2.9Å | ||
| 54 | S | 36.3 | Very low | 36.6 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -58.8 | 101.1 | 164.3 | 46.3 | 0 | 0 | 0 | 0 | 104.5 | T52 P56 | T52-S54 VanDerWaalsContact C-N 3.25Å; T52-S54 PolarHBondContact O-N 2.85Å; S54-P56 WeakPolarHBondContact O-CD 3.26Å | ||
| 55 | T | 32.3 | Very low | 36.9 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | -48.4 | 113.5 | 175.1 | 40.2 | 0 | 0 | 0 | 0 | 106.6 | A53 R57 | A53-T55 PolarHBondContact O-N 2.9Å; T55-R57 PolarHBondContact O-N 3.42Å | ||
| 56 | P | 38.2 | Very low | 37.3 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -58.7 | 118.9 | -178.8 | 21 | -30 | 0 | 0 | 0 | 106 | S54 A58 | S54-P56 WeakPolarHBondContact O-CD 3.26Å; P56-A58 PolarHBondContact O-N 2.8Å | ||
| 57 | R | 42.3 | Very low | 37.6 | Very low | 248 Ų | 248 | 142.7 Ų | 142.7 | 94% | 0.936 | 77% | 0.766 | S | S | * | * | trans | -45.3 | 106.8 | 178.2 | -120.5 | 176.7 | 176 | 137 | -2.1 | 107 | T55 A59 | T55-R57 PolarHBondContact O-N 3.42Å; R57-A59 PolarHBondContact O-N 2.8Å | ||
| 58 | A | 40.2 | Very low | 38.3 | Very low | 81 Ų | 81 | 140.9 Ų | 140.9 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | -55.7 | 115 | 179.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | P56 | P56-A58 PolarHBondContact O-N 2.8Š| ||
| 59 | A | 41.3 | Very low | 38.9 | Very low | 48 Ų | 48 | 143.9 Ų | 143.9 | 40% | 0.397 | 76% | 0.759 | S | S | . | * | trans | -51.9 | 135 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | R57 R61 L63 | R57-A59 PolarHBondContact O-N 2.8Å; A59-R61 PolarHBondContact O-N 3.2Å; A59-L63 HydrophobicContact CB-CD1 4.48Å | ||
| 60 | P | 41.7 | Very low | 40 | Very low | 81 Ų | 81 | 146.7 Ų | 146.7 | 53% | 0.526 | 77% | 0.765 | S | S | . | * | trans | -49.8 | 132.1 | -176.8 | -7.5 | 3.8 | 0 | 0 | 0 | 109.6 | F62 L63 | P60-F62 HydrophobicContact CB-CD2 3.96Å; P60-F62 HydrophobicContact CB-CE2 4.39Å; P60-F62 PolarHBondContact O-N 2.81Å; P60-L63 PolarHBondContact O-N 3.43Å | ||
| 61 | R | 46 | Very low | 40.6 | Very low | 225 Ų | 225 | 138.7 Ų | 138.7 | 85% | 0.849 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -49.4 | -24.2 | -170.2 | -75.9 | -177.9 | 167.4 | 167.7 | -5.3 | 114.5 | A59 L63 R64 | A59-R61 PolarHBondContact O-N 3.2Å; R61-L63 PolarHBondContact O-N 3.35Å; R61-L63 VanDerWaalsContact O-N 3.13Å; R61-R64 PolarHBondContact O-N 2.93Å; R61-R64 VanDerWaalsContact O-N 3.11Å |
| 62 | F | 48.1 | Very low | 41.2 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 80% | 0.803 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -61.9 | -14.6 | 173.8 | -38.6 | -68.5 | 0 | 0 | 0 | 114.9 | P60 | P60-F62 HydrophobicContact CB-CD2 3.96Å; P60-F62 HydrophobicContact CB-CE2 4.39Å; P60-F62 PolarHBondContact O-N 2.81Å |
| 63 | L | 39.4 | Very low | 42 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -98.1 | -11.8 | 176.3 | -66.7 | 174.2 | 0 | 0 | 0 | 113.3 | A59 P60 R61 R65 | A59-L63 HydrophobicContact CB-CD1 4.48Å; P60-L63 PolarHBondContact O-N 3.43Å; R61-L63 PolarHBondContact O-N 3.35Å; R61-L63 VanDerWaalsContact O-N 3.13Å; L63-R65 PolarHBondContact O-N 3.09Å |
| 64 | R | 39.3 | Very low | 42.7 | Very low | 192 Ų | 192 | 128 Ų | 128 | 73% | 0.725 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -89.6 | 105.9 | 176.3 | -80.1 | -169.6 | 170.9 | 177.8 | -1.9 | 108.7 | R61 | R61-R64 PolarHBondContact O-N 2.93Å; R61-R64 VanDerWaalsContact O-N 3.11Å |
| 65 | R | 40.8 | Very low | 43.4 | Very low | 229 Ų | 229 | 129.7 Ų | 129.7 | 86% | 0.864 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 80.3 | 89.5 | 177.7 | -56.6 | -177.7 | 173.8 | 175.9 | -2.4 | 114.7 | L63 L67 | L63-R65 PolarHBondContact O-N 3.09Å; R65-L67 PolarHBondContact O-N 2.72Å |
| 66 | G | 40 | Very low | 44.4 | Very low | 82 Ų | 82 | 128.8 Ų | 128.8 | 85% | 0.845 | 68% | 0.679 | S | S | * | * | S | Bend | 58.3 | -11 | 114.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | V68 | G66-V68 VanDerWaalsContact C-N 3.3Å; G66-V68 PolarHBondContact O-N 3.32Å | |
| 67 | L | 37.2 | Very low | 45.3 | Very low | 161 Ų | 161 | 126 Ų | 126 | 84% | 0.843 | 66% | 0.659 | S | S | * | * | trans | -100 | 47.2 | 177 | -87.6 | 139.4 | 0 | 0 | 0 | 109.9 | R65 K69 | R65-L67 PolarHBondContact O-N 2.72Å; L67-K69 PolarHBondContact O-N 3.44Å; L67-K69 VanDerWaalsContact O-N 3.09Å | ||
| 68 | V | 44 | Very low | 45.7 | Very low | 117 Ų | 117 | 118.3 Ų | 118.3 | 71% | 0.709 | 63% | 0.634 | S | S | * | * | trans | -61.8 | 115.4 | 157.1 | 177.5 | 0 | 0 | 0 | 0 | 104.6 | G66 T70 | G66-V68 VanDerWaalsContact C-N 3.3Å; G66-V68 PolarHBondContact O-N 3.32Å; V68-T70 PolarHBondContact O-N 2.65Å | ||
| 69 | K | 45.1 | Very low | 46.3 | Very low | 180 Ų | 180 | 116.9 Ų | 116.9 | 78% | 0.783 | 62% | 0.622 | S | S | * | * | trans | -52.3 | 72.4 | -176 | -66.9 | 175.3 | 171.4 | -175.8 | 0 | 112.9 | L67 G71 A72 | L67-K69 PolarHBondContact O-N 3.44Å; L67-K69 VanDerWaalsContact O-N 3.09Å; K69-G71 PolarHBondContact O-N 2.79Å; K69-G71 VanDerWaalsContact O-N 3.13Å; K69-A72 PolarHBondContact O-N 2.92Å | ||
| 70 | T | 51.9 | Low | 46.7 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 69% | 0.693 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -55 | -21.5 | 162.5 | 47.1 | 0 | 0 | 0 | 0 | 110.5 | V68 A72 V73 S74 | V68-T70 PolarHBondContact O-N 2.65Å; T70-A72 VanDerWaalsContact C-N 3.3Å; T70-A72 PolarHBondContact O-N 3.27Å; T70-V73 PolarHBondContact O-N 2.89Å; T70-S74 WeakPolarHBondContact O-CB 3.41Å; T70-S74 PolarHBondContact O-N 2.75Å |
| 71 | G | 44.8 | Very low | 47.4 | Very low | 33 Ų | 33 | 124.1 Ų | 124.1 | 34% | 0.34 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -52.2 | -38.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K69 Q75 | K69-G71 PolarHBondContact O-N 2.79Å; K69-G71 VanDerWaalsContact O-N 3.13Å; G71-Q75 VanDerWaalsContact O-CB 3.24Å; G71-Q75 WeakPolarHBondContact O-CB 3.22Å; G71-Q75 WeakPolarHBondContact O-CG 3.5Å; G71-Q75 PolarHBondContact O-N 2.91Å |
| 72 | A | 45.9 | Very low | 47.7 | Very low | 56 Ų | 56 | 116.9 Ų | 116.9 | 46% | 0.463 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71 | -39.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K69 T70 I76 | K69-A72 PolarHBondContact O-N 2.92Å; T70-A72 VanDerWaalsContact C-N 3.3Å; T70-A72 PolarHBondContact O-N 3.27Å; A72-I76 WeakPolarHBondContact O-CG1 3.31Å; A72-I76 PolarHBondContact O-N 3.29Å |
| 73 | V | 50.6 | Low | 47.9 | Very low | 98 Ų | 98 | 111.5 Ų | 111.5 | 59% | 0.594 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -78.6 | -38.1 | 178.1 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | T70 Q75 I76 V77 | T70-V73 PolarHBondContact O-N 2.89Å; V73-Q75 VanDerWaalsContact C-N 3.28Å; V73-Q75 PolarHBondContact O-N 2.83Å; V73-I76 PolarHBondContact O-N 2.75Å; V73-I76 VanDerWaalsContact O-N 3.16Å; V73-V77 HydrophobicContact CG1-CG2 4.37Å; V73-V77 WeakPolarHBondContact O-CG2 3.32Å; V73-V77 PolarHBondContact O-N 2.85Å |
| 74 | S | 50.6 | Low | 48.5 | Very low | 74 Ų | 74 | 112.1 Ų | 112.1 | 52% | 0.517 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.8 | -36.1 | 173.9 | -167.1 | 0 | 0 | 0 | 0 | 111.8 | T70 Q78 | T70-S74 WeakPolarHBondContact O-CB 3.41Å; T70-S74 PolarHBondContact O-N 2.75Å; S74-Q78 WeakPolarHBondContact O-CB 3.2Å; S74-Q78 PolarHBondContact O-N 2.91Å |
| 75 | Q | 52 | Low | 49.1 | Very low | 143 Ų | 143 | 108.5 Ų | 108.5 | 67% | 0.668 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.9 | -39.6 | 173.7 | -79.3 | 170.6 | 7.4 | 0 | 0 | 112.2 | G71 V73 A79 | G71-Q75 VanDerWaalsContact O-CB 3.24Å; G71-Q75 WeakPolarHBondContact O-CB 3.22Å; G71-Q75 WeakPolarHBondContact O-CG 3.5Å; G71-Q75 PolarHBondContact O-N 2.91Å; V73-Q75 VanDerWaalsContact C-N 3.28Å; V73-Q75 PolarHBondContact O-N 2.83Å; Q75-A79 WeakPolarHBondContact O-CB 3.45Å; Q75-A79 PolarHBondContact O-N 3.04Å |
| 76 | I | 53.5 | Low | 49.5 | Very low | 106 Ų | 106 | 103.6 Ų | 103.6 | 54% | 0.544 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.7 | -44.8 | 177.2 | -65.4 | 164.6 | 0 | 0 | 0 | 110.4 | A72 V73 A79 M80 | A72-I76 WeakPolarHBondContact O-CG1 3.31Å; A72-I76 PolarHBondContact O-N 3.29Å; V73-I76 PolarHBondContact O-N 2.75Å; V73-I76 VanDerWaalsContact O-N 3.16Å; I76-A79 PolarHBondContact O-N 2.98Å; I76-M80 HydrophobicContact CG2-SD 4.37Å; I76-M80 WeakPolarHBondContact O-CG 3.48Å; I76-M80 PolarHBondContact O-N 3.38Å |
| 77 | V | 56.5 | Low | 50 | Low | 64 Ų | 64 | 105 Ų | 105 | 39% | 0.388 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.4 | -40.6 | 177.8 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | V73 M80 R81 | V73-V77 HydrophobicContact CG1-CG2 4.37Å; V73-V77 WeakPolarHBondContact O-CG2 3.32Å; V73-V77 PolarHBondContact O-N 2.85Å; V77-M80 PolarHBondContact O-N 2.89Å; V77-R81 PolarHBondContact O-N 3.3Å |
| 78 | Q | 51 | Low | 50.7 | Low | 87 Ų | 87 | 100.5 Ų | 100.5 | 41% | 0.407 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 175.5 | -168.4 | 63.6 | 42.2 | 0 | 0 | 111.1 | S74 M80 R81 D82 | S74-Q78 WeakPolarHBondContact O-CB 3.2Å; S74-Q78 PolarHBondContact O-N 2.91Å; Q78-M80 VanDerWaalsContact C-N 3.25Å; Q78-M80 PolarHBondContact O-N 3.36Å; Q78-R81 PolarHBondContact O-N 3.06Å; Q78-R81 VanDerWaalsContact O-N 3.08Å; Q78-D82 PolarHBondContact NE2-OD1 2.9Å; Q78-D82 PolarHBondContact O-N 3.48Å |
| 79 | A | 53.1 | Low | 50.9 | Low | 51 Ų | 51 | 104 Ų | 104 | 42% | 0.421 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.1 | -37 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q75 I76 S83 | Q75-A79 WeakPolarHBondContact O-CB 3.45Å; Q75-A79 PolarHBondContact O-N 3.04Å; I76-A79 PolarHBondContact O-N 2.98Å; A79-S83 PolarHBondContact O-N 3.43Å; A79-S83 PolarHBondContact O-OG 3.43Å |
| 80 | M | 50.2 | Low | 50.9 | Low | 132 Ų | 132 | 104.1 Ų | 104.1 | 65% | 0.65 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.9 | -38.5 | 174.8 | -73.9 | -176.7 | 67.5 | 0 | 0 | 112.9 | I76 V77 Q78 Q84 | I76-M80 HydrophobicContact CG2-SD 4.37Å; I76-M80 WeakPolarHBondContact O-CG 3.48Å; I76-M80 PolarHBondContact O-N 3.38Å; V77-M80 PolarHBondContact O-N 2.89Å; Q78-M80 VanDerWaalsContact C-N 3.25Å; Q78-M80 PolarHBondContact O-N 3.36Å; M80-Q84 PolarHBondContact O-N 2.89Å; M80-Q84 VanDerWaalsContact O-N 3.11Å |
| 81 | R | 56.1 | Low | 50.5 | Low | 149 Ų | 149 | 103.2 Ų | 103.2 | 56% | 0.562 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.6 | -43.2 | 172.9 | -73.7 | -173.3 | -150.1 | 177.9 | 6.5 | 111.7 | V77 Q78 S83 Q84 E85 | V77-R81 PolarHBondContact O-N 3.3Å; Q78-R81 PolarHBondContact O-N 3.06Å; Q78-R81 VanDerWaalsContact O-N 3.08Å; R81-S83 VanDerWaalsContact C-N 3.31Å; R81-S83 PolarHBondContact O-N 2.83Å; R81-Q84 PolarHBondContact O-N 2.96Å; R81-Q84 VanDerWaalsContact O-N 3.09Å; R81-E85 PolarHBondContact O-N 2.74Å |
| 82 | D | 51.5 | Low | 50.4 | Low | 74 Ų | 74 | 105 Ų | 105 | 40% | 0.396 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.7 | -37.7 | -180 | -62.1 | -9.8 | 0 | 0 | 0 | 110.8 | Q78 E85 Q86 | Q78-D82 PolarHBondContact NE2-OD1 2.9Å; Q78-D82 PolarHBondContact O-N 3.48Å; D82-E85 PolarHBondContact O-N 3.09Å; D82-Q86 PolarHBondContact O-N 3.29Å |
| 83 | S | 52.1 | Low | 50 | Low | 69 Ų | 69 | 106.4 Ų | 106.4 | 48% | 0.483 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.1 | -37.8 | 171.3 | -74.7 | 0 | 0 | 0 | 0 | 112.8 | A79 R81 Q86 D87 | A79-S83 PolarHBondContact O-N 3.43Å; A79-S83 PolarHBondContact O-OG 3.43Å; R81-S83 VanDerWaalsContact C-N 3.31Å; R81-S83 PolarHBondContact O-N 2.83Å; S83-Q86 PolarHBondContact O-N 3.04Å; S83-D87 PolarHBondContact O-N 2.86Å; S83-D87 VanDerWaalsContact O-N 3.11Å |
| 84 | Q | 51.6 | Low | 49.1 | Very low | 145 Ų | 145 | 106.9 Ų | 106.9 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.9 | -34.8 | 176.6 | -166.5 | 175.3 | 4.5 | 0 | 0 | 112.2 | M80 R81 Q86 D87 S88 | M80-Q84 PolarHBondContact O-N 2.89Å; M80-Q84 VanDerWaalsContact O-N 3.11Å; R81-Q84 PolarHBondContact O-N 2.96Å; R81-Q84 VanDerWaalsContact O-N 3.09Å; Q84-Q86 VanDerWaalsContact C-N 3.33Å; Q84-D87 PolarHBondContact O-N 3.46Å; Q84-S88 PolarHBondContact O-N 2.9Å; Q84-S88 VanDerWaalsContact O-N 3.09Å |
| 85 | E | 52.3 | Low | 48.1 | Very low | 116 Ų | 116 | 108.2 Ų | 108.2 | 54% | 0.542 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.6 | -34.6 | 171.5 | -81.2 | -174 | -177.5 | 0 | 0 | 111.9 | R81 D82 S88 R89 | R81-E85 PolarHBondContact O-N 2.74Å; D82-E85 PolarHBondContact O-N 3.09Å; E85-S88 WeakPolarHBondContact CA-OG 3.19Å; E85-S88 PolarHBondContact O-N 3.43Å; E85-S88 PolarHBondContact O-OG 2.61Å; E85-R89 PolarHBondContact O-N 2.95Å |
| 86 | Q | 50.7 | Low | 47.1 | Very low | 125 Ų | 125 | 107 Ų | 107 | 58% | 0.584 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.1 | -42.4 | 172.6 | -72.9 | -166.4 | -5.3 | 0 | 0 | 112.3 | D82 S83 Q84 S88 R89 Y90 | D82-Q86 PolarHBondContact O-N 3.29Å; S83-Q86 PolarHBondContact O-N 3.04Å; Q84-Q86 VanDerWaalsContact C-N 3.33Å; Q86-S88 VanDerWaalsContact C-N 3.27Å; Q86-S88 PolarHBondContact O-N 3.29Å; Q86-R89 PolarHBondContact O-N 3.06Å; Q86-R89 VanDerWaalsContact O-N 3.11Å; Q86-Y90 WeakPolarHBondContact O-CD2 3.38Å; Q86-Y90 PolarHBondContact O-N 3.17Å |
| 87 | D | 49.9 | Very low | 46 | Very low | 111 Ų | 111 | 107.5 Ų | 107.5 | 59% | 0.594 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.2 | -32.5 | 175.8 | -77.2 | -20.3 | 0 | 0 | 0 | 112.6 | S83 Q84 Y90 S91 | S83-D87 PolarHBondContact O-N 2.86Å; S83-D87 VanDerWaalsContact O-N 3.11Å; Q84-D87 PolarHBondContact O-N 3.46Å; D87-Y90 PolarHBondContact O-N 3.48Å; D87-S91 PolarHBondContact O-N 2.86Å; D87-S91 VanDerWaalsContact O-N 3.08Å; D87-S91 PolarHBondContact O-OG 3.43Å |
| 88 | S | 51.1 | Low | 44.9 | Very low | 67 Ų | 67 | 111.2 Ų | 111.2 | 47% | 0.469 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.9 | -33.4 | 173.7 | 76.2 | 0 | 0 | 0 | 0 | 112.8 | Q84 E85 Q86 S91 A92 | Q84-S88 PolarHBondContact O-N 2.9Å; Q84-S88 VanDerWaalsContact O-N 3.09Å; E85-S88 WeakPolarHBondContact CA-OG 3.19Å; E85-S88 PolarHBondContact O-N 3.43Å; E85-S88 PolarHBondContact O-OG 2.61Å; Q86-S88 VanDerWaalsContact C-N 3.27Å; Q86-S88 PolarHBondContact O-N 3.29Å; S88-S91 PolarHBondContact O-N 2.81Å; S88-A92 PolarHBondContact O-N 2.82Å |
| 89 | R | 49.5 | Very low | 44 | Very low | 190 Ų | 190 | 113 Ų | 113 | 72% | 0.717 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.8 | -31.4 | 175.6 | -71.9 | -171.4 | -173.5 | -168.1 | 4 | 112.8 | E85 Q86 | E85-R89 PolarHBondContact O-N 2.95Å; Q86-R89 PolarHBondContact O-N 3.06Å; Q86-R89 VanDerWaalsContact O-N 3.11Å |
| 90 | Y | 43.6 | Very low | 43 | Very low | 184 Ų | 184 | 118.8 Ų | 118.8 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.5 | -27.3 | 171.8 | -80.5 | -76.2 | 0 | 0 | 0 | 112.8 | Q86 D87 | Q86-Y90 WeakPolarHBondContact O-CD2 3.38Å; Q86-Y90 PolarHBondContact O-N 3.17Å; D87-Y90 PolarHBondContact O-N 3.48Å |
| 91 | S | 44.9 | Very low | 42.1 | Very low | 94 Ų | 94 | 117.5 Ų | 117.5 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.5 | -27.4 | 175.3 | -59.7 | 0 | 0 | 0 | 0 | 113.2 | D87 S88 A93 | D87-S91 PolarHBondContact O-N 2.86Å; D87-S91 VanDerWaalsContact O-N 3.08Å; D87-S91 PolarHBondContact O-OG 3.43Å; S88-S91 PolarHBondContact O-N 2.81Å; S91-A93 VanDerWaalsContact C-N 3.32Å; S91-A93 PolarHBondContact O-N 3.28Å |
| 92 | A | 41.3 | Very low | 40.9 | Very low | 69 Ų | 69 | 116.4 Ų | 116.4 | 57% | 0.57 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -11.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S88 S94 | S88-A92 PolarHBondContact O-N 2.82Å; A92-S94 VanDerWaalsContact C-N 3.34Å |
| 93 | A | 37.8 | Very low | 40 | Very low | 86 Ų | 86 | 119.5 Ų | 119.5 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -4.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S91 | S91-A93 VanDerWaalsContact C-N 3.32Å; S91-A93 PolarHBondContact O-N 3.28Å |
| 94 | S | 32.9 | Very low | 38.9 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | trans | -118.1 | 46.9 | -178.6 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | A92 | A92-S94 VanDerWaalsContact C-N 3.34Š| ||
| 95 | S | 29.7 | Very low | 37.9 | Very low | 103 Ų | 103 | 119 Ų | 119 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | -97.6 | 95.7 | 167.7 | 47.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 96 | S | 31 | Very low | 36.7 | Very low | 117 Ų | 117 | 120.3 Ų | 120.3 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | 164.8 | 83.2 | 141.5 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 97 | S | 30.4 | Very low | 35.9 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | trans | -171.9 | 99.4 | 133.7 | 63.1 | 0 | 0 | 0 | 0 | 109.8 | V99 | S97-V99 PolarHBondContact O-N 3.32Š| ||
| 98 | T | 31.8 | Very low | 35.1 | Very low | 142 Ų | 142 | 122 Ų | 122 | 87% | 0.871 | 75% | 0.745 | S | S | * | * | trans | -68.3 | 109.7 | 162.8 | -55.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 99 | V | 32.4 | Very low | 34.3 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | -156 | 112.9 | 144.2 | -160.8 | 0 | 0 | 0 | 0 | 110.5 | S97 | S97-V99 PolarHBondContact O-N 3.32Š| ||
| 100 | E | 33.1 | Very low | 33.5 | Very low | 173 Ų | 173 | 123.4 Ų | 123.4 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | 17.1 | 119.9 | 147.3 | -63.8 | 168.8 | 149 | 0 | 0 | 121.6 | ||||
| 101 | S | 31.1 | Very low | 33.2 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | 56.6 | 121.1 | 119.3 | -146.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 102 | T | 30.9 | Very low | 32.9 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | 71.2 | 82.9 | 148.3 | 16.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 103 | T | 32.6 | Very low | 32.8 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -154 | 106.7 | 131.8 | -0.1 | 0 | 0 | 0 | 0 | 106.9 | P105 | T103-P105 WeakPolarHBondContact O-CD 3.28Š| ||
| 104 | A | 28.6 | Very low | 33.3 | Very low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -70.2 | 111.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | T106 | A104-T106 PolarHBondContact O-N 3.3Š| ||
| 105 | P | 29.5 | Very low | 34.1 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | trans | -79.7 | 115.8 | 166.4 | 21.5 | -6.3 | 0 | 0 | 0 | 106.7 | T103 V107 | T103-P105 WeakPolarHBondContact O-CD 3.28Å; P105-V107 VanDerWaalsContact C-N 3.31Å; P105-V107 HydrophobicContact CB-CG2 4.24Å; P105-V107 PolarHBondContact O-N 2.97Å | ||
| 106 | T | 28.9 | Very low | 35.3 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -55.6 | 94.3 | 163.8 | -28 | 0 | 0 | 0 | 0 | 107.9 | A104 | A104-T106 PolarHBondContact O-N 3.3Š| ||
| 107 | V | 33.7 | Very low | 36.9 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 65% | 0.648 | 76% | 0.755 | S | S | * | * | trans | -108.4 | 98.8 | 169.8 | -173.1 | 0 | 0 | 0 | 0 | 107 | P105 S109 | P105-V107 VanDerWaalsContact C-N 3.31Å; P105-V107 HydrophobicContact CB-CG2 4.24Å; P105-V107 PolarHBondContact O-N 2.97Å; V107-S109 PolarHBondContact O-N 3.21Å | ||
| 108 | D | 33.3 | Very low | 38.7 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | trans | -52.9 | 91.6 | 152.1 | -98 | -37.2 | 0 | 0 | 0 | 108 | ||||
| 109 | S | 32.7 | Very low | 40.5 | Very low | 83 Ų | 83 | 125.4 Ų | 125.4 | 58% | 0.58 | 73% | 0.726 | S | S | * | * | trans | -159 | 84.9 | 165.7 | -79.1 | 0 | 0 | 0 | 0 | 108.4 | V107 D111 | V107-S109 PolarHBondContact O-N 3.21Å; S109-D111 PolarHBondContact O-N 3.42Å | ||
| 110 | K | 33.3 | Very low | 42.3 | Very low | 202 Ų | 202 | 124.3 Ų | 124.3 | 88% | 0.878 | 71% | 0.713 | S | S | * | * | 32.2 | 49.7 | 115.7 | -141.9 | -179.3 | -167.9 | 177.7 | 0 | 116.9 | |||||
| 111 | D | 37.7 | Very low | 44.1 | Very low | 142 Ų | 142 | 118.5 Ų | 118.5 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | trans | -130.4 | 95.7 | 155.1 | -84.8 | -38.1 | 0 | 0 | 0 | 105.9 | S109 K113 | S109-D111 PolarHBondContact O-N 3.42Å; D111-K113 PolarHBondContact O-N 3.31Å | ||
| 112 | N | 38 | Very low | 46 | Very low | 163 Ų | 163 | 120.4 Ų | 120.4 | 87% | 0.872 | 68% | 0.68 | S | S | * | * | trans | -60.8 | 75.2 | 173.1 | -76.4 | -40.1 | 0 | 0 | 0 | 109.2 | P114 | N112-P114 VanDerWaalsContact O-CD 3.25Å; N112-P114 WeakPolarHBondContact O-CD 3.25Å | ||
| 113 | K | 39.3 | Very low | 48 | Very low | 179 Ų | 179 | 119.4 Ų | 119.4 | 78% | 0.778 | 67% | 0.669 | S | S | * | * | trans | -63 | 114.6 | 154.2 | -77.2 | 179.4 | -179.6 | 171.8 | 0 | 104.1 | D111 D115 | D111-K113 PolarHBondContact O-N 3.31Å; K113-D115 PolarHBondContact O-N 2.65Å | ||
| 114 | P | 47.6 | Very low | 50 | Low | 108 Ų | 108 | 116.7 Ų | 116.7 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | trans | -60.1 | 111.2 | 173.1 | 25.4 | -30.6 | 0 | 0 | 0 | 105 | N112 V116 | N112-P114 VanDerWaalsContact O-CD 3.25Å; N112-P114 WeakPolarHBondContact O-CD 3.25Å; P114-V116 WeakPolarHBondContact O-CG2 3.37Å; P114-V116 PolarHBondContact O-N 3.47Å | ||
| 115 | D | 49.8 | Very low | 52 | Low | 157 Ų | 157 | 120.1 Ų | 120.1 | 84% | 0.84 | 65% | 0.645 | S | S | * | * | trans | -54.5 | 99.1 | 167.4 | -91.7 | -29.9 | 0 | 0 | 0 | 105.4 | K113 S117 | K113-D115 PolarHBondContact O-N 2.65Å; D115-S117 PolarHBondContact O-N 3.19Å | ||
| 116 | V | 56 | Low | 54 | Low | 83 Ų | 83 | 118.3 Ų | 118.3 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | trans | -64.9 | 97.7 | 176.5 | -177.3 | 0 | 0 | 0 | 0 | 103.2 | P114 A118 Q120 V121 | P114-V116 WeakPolarHBondContact O-CG2 3.37Å; P114-V116 PolarHBondContact O-N 3.47Å; V116-A118 PolarHBondContact O-N 3.23Å; V116-Q120 HydrophobicContact CG1-CB 3.69Å; V116-V121 HydrophobicContact CB-CG2 4.26Å; V116-V121 HydrophobicContact CG1-CG2 3.68Å | ||
| 117 | S | 64.7 | Low | 55.7 | Low | 62 Ų | 62 | 116.1 Ų | 116.1 | 43% | 0.434 | 61% | 0.614 | S | S | . | * | trans | -43.6 | 134.7 | -177.3 | 169.6 | 0 | 0 | 0 | 0 | 107.7 | D115 E119 Q120 V121 | D115-S117 PolarHBondContact O-N 3.19Å; S117-E119 CarbonylContact O-C 3.51Å; S117-E119 PolarHBondContact O-N 3.27Å; S117-E119 WeakPolarHBondContact OG-CB 3.38Å; S117-E119 PolarHBondContact OG-N 3.42Å; S117-Q120 WeakPolarHBondContact O-CA 3.07Å; S117-Q120 WeakPolarHBondContact O-CB 3.49Å; S117-Q120 PolarHBondContact O-N 3.35Å; S117-V121 PolarHBondContact O-N 3.47Å; S117-V121 VanDerWaalsContact O-N 3.11Å | ||
| 118 | A | 68.8 | Low | 57.5 | Low | 83 Ų | 83 | 114.7 Ų | 114.7 | 69% | 0.686 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -48.4 | -27 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V116 V121 R122 | V116-A118 PolarHBondContact O-N 3.23Å; A118-V121 PolarHBondContact O-N 3.37Å; A118-R122 VanDerWaalsContact O-CB 3.29Å; A118-R122 WeakPolarHBondContact O-CB 3.42Å; A118-R122 PolarHBondContact O-N 2.72Å |
| 119 | E | 68.4 | Low | 58.9 | Low | 84 Ų | 84 | 110.3 Ų | 110.3 | 39% | 0.393 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.9 | -40.2 | 173 | -164 | 61.3 | -176 | 0 | 0 | 114.3 | S117 R122 L123 | S117-E119 CarbonylContact O-C 3.51Å; S117-E119 PolarHBondContact O-N 3.27Å; S117-E119 WeakPolarHBondContact OG-CB 3.38Å; S117-E119 PolarHBondContact OG-N 3.42Å; E119-R122 VanDerWaalsContact CD-NH2 3.32Å; E119-R122 PolarHBondContact O-N 3.38Å; E119-R122 IonicContact OE1-CZ 3.57Å; E119-R122 IonicContact OE1-NE 2.83Å; E119-R122 IonicContact OE1-NH2 3.18Å; E119-R122 PolarHBondContact OE1-NH2 3.04Å; E119-R122 IonicContact OE2-CZ 3.34Å; E119-R122 IonicContact OE2-NE 2.65Å; E119-R122 PolarHBondContact OE2-NE 3.41Å; E119-R122 IonicContact OE2-NH2 3.48Å; E119-R122 PolarHBondContact OE2-NH2 3.02Å; E119-L123 WeakPolarHBondContact O-CB 3.41Å; E119-L123 VanDerWaalsContact O-CG 3.23Å; E119-L123 WeakPolarHBondContact O-CG 3.3Å; E119-L123 PolarHBondContact O-N 2.93Å |
| 120 | Q | 69.8 | Low | 60.2 | Low | 102 Ų | 102 | 110 Ų | 110 | 48% | 0.477 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.2 | -42.4 | 171 | -72.3 | 174.7 | -17.3 | 0 | 0 | 111.3 | V116 S117 R122 L123 V124 | V116-Q120 HydrophobicContact CG1-CB 3.69Å; S117-Q120 WeakPolarHBondContact O-CA 3.07Å; S117-Q120 WeakPolarHBondContact O-CB 3.49Å; S117-Q120 PolarHBondContact O-N 3.35Å; Q120-R122 VanDerWaalsContact C-N 3.3Å; Q120-R122 PolarHBondContact O-N 3.33Å; Q120-L123 PolarHBondContact O-N 3.27Å; Q120-V124 VanDerWaalsContact O-CG2 3.31Å; Q120-V124 WeakPolarHBondContact O-CG2 3.32Å; Q120-V124 PolarHBondContact O-N 3.32Å |
| 121 | V | 71.1 | Confident | 61.3 | Low | 50 Ų | 50 | 106.3 Ų | 106.3 | 30% | 0.303 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.1 | -43 | 174.6 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | V116 S117 A118 V124 R125 | V116-V121 HydrophobicContact CB-CG2 4.26Å; V116-V121 HydrophobicContact CG1-CG2 3.68Å; S117-V121 PolarHBondContact O-N 3.47Å; S117-V121 VanDerWaalsContact O-N 3.11Å; A118-V121 PolarHBondContact O-N 3.37Å; V121-V124 PolarHBondContact O-N 3.02Å; V121-R125 WeakPolarHBondContact O-CB 3.5Å; V121-R125 WeakPolarHBondContact O-CG 3.14Å; V121-R125 PolarHBondContact O-N 2.8Å |
| 122 | R | 71.6 | Confident | 62.4 | Low | 147 Ų | 147 | 106.8 Ų | 106.8 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.9 | -41.2 | 176.2 | -168.3 | 173.8 | 76.7 | 123.6 | 2.5 | 112.2 | A118 E119 Q120 R125 T126 | A118-R122 VanDerWaalsContact O-CB 3.29Å; A118-R122 WeakPolarHBondContact O-CB 3.42Å; A118-R122 PolarHBondContact O-N 2.72Å; E119-R122 VanDerWaalsContact CD-NH2 3.32Å; E119-R122 PolarHBondContact O-N 3.38Å; E119-R122 IonicContact OE1-CZ 3.57Å; E119-R122 IonicContact OE1-NE 2.83Å; E119-R122 IonicContact OE1-NH2 3.18Å; E119-R122 PolarHBondContact OE1-NH2 3.04Å; E119-R122 IonicContact OE2-CZ 3.34Å; E119-R122 IonicContact OE2-NE 2.65Å; E119-R122 PolarHBondContact OE2-NE 3.41Å; E119-R122 IonicContact OE2-NH2 3.48Å; E119-R122 PolarHBondContact OE2-NH2 3.02Å; Q120-R122 VanDerWaalsContact C-N 3.3Å; Q120-R122 PolarHBondContact O-N 3.33Å; R122-R125 PolarHBondContact O-N 3.48Å; R122-T126 WeakPolarHBondContact O-CB 3.47Å; R122-T126 PolarHBondContact O-N 3.25Å; R122-T126 PolarHBondContact O-OG1 2.97Å |
| 123 | L | 72.5 | Confident | 63.2 | Low | 104 Ų | 104 | 103.4 Ų | 103.4 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 175.8 | -76.8 | 168.8 | 0 | 0 | 0 | 111.4 | E119 Q120 T126 L127 | E119-L123 WeakPolarHBondContact O-CB 3.41Å; E119-L123 VanDerWaalsContact O-CG 3.23Å; E119-L123 WeakPolarHBondContact O-CG 3.3Å; E119-L123 PolarHBondContact O-N 2.93Å; Q120-L123 PolarHBondContact O-N 3.27Å; L123-T126 PolarHBondContact O-N 3.02Å; L123-L127 WeakPolarHBondContact O-CB 3.37Å; L123-L127 PolarHBondContact O-N 3.33Å |
| 124 | V | 73.8 | Confident | 63.6 | Low | 83 Ų | 83 | 96.2 Ų | 96.2 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 176.9 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | Q120 V121 T126 L127 I128 | Q120-V124 VanDerWaalsContact O-CG2 3.31Å; Q120-V124 WeakPolarHBondContact O-CG2 3.32Å; Q120-V124 PolarHBondContact O-N 3.32Å; V121-V124 PolarHBondContact O-N 3.02Å; V124-T126 VanDerWaalsContact C-N 3.33Å; V124-T126 PolarHBondContact O-N 3.11Å; V124-L127 WeakPolarHBondContact O-CB 3.5Å; V124-L127 PolarHBondContact O-N 3.38Å; V124-I128 HydrophobicContact CG1-CD1 3.82Å; V124-I128 HydrophobicContact CG1-CG1 4.43Å; V124-I128 VanDerWaalsContact O-CG1 3.25Å; V124-I128 WeakPolarHBondContact O-CG1 3.46Å; V124-I128 PolarHBondContact O-N 3.36Å |
| 125 | R | 72.2 | Confident | 63.7 | Low | 167 Ų | 167 | 93.3 Ų | 93.3 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.5 | -43.7 | 173.3 | -75.8 | -179.5 | -175.7 | 150.1 | 2.1 | 112 | V121 R122 L127 I128 C129 | V121-R125 WeakPolarHBondContact O-CB 3.5Å; V121-R125 WeakPolarHBondContact O-CG 3.14Å; V121-R125 PolarHBondContact O-N 2.8Å; R122-R125 PolarHBondContact O-N 3.48Å; R125-L127 VanDerWaalsContact C-N 3.34Å; R125-L127 PolarHBondContact O-N 3.32Å; R125-I128 PolarHBondContact O-N 3.34Å; R125-C129 PolarHBondContact O-N 3.48Å; R125-C129 PolarHBondContact O-SG 2.86Å |
| 126 | T | 70.5 | Confident | 63.8 | Low | 69 Ų | 69 | 88.4 Ų | 88.4 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 177.5 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | R122 L123 V124 C129 I130 | R122-T126 WeakPolarHBondContact O-CB 3.47Å; R122-T126 PolarHBondContact O-N 3.25Å; R122-T126 PolarHBondContact O-OG1 2.97Å; L123-T126 PolarHBondContact O-N 3.02Å; V124-T126 VanDerWaalsContact C-N 3.33Å; V124-T126 PolarHBondContact O-N 3.11Å; T126-C129 PolarHBondContact O-N 3.17Å; T126-I130 HydrophobicContact CG2-CD1 4.03Å; T126-I130 VanDerWaalsContact O-CG1 3.23Å; T126-I130 WeakPolarHBondContact O-CG1 3.39Å; T126-I130 PolarHBondContact O-N 2.79Å |
| 127 | L | 65 | Low | 63.6 | Low | 98 Ų | 98 | 91.5 Ų | 91.5 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 177 | -152.7 | 82.2 | 0 | 0 | 0 | 110.3 | L123 V124 R125 C129 I130 F131 | L123-L127 WeakPolarHBondContact O-CB 3.37Å; L123-L127 PolarHBondContact O-N 3.33Å; V124-L127 WeakPolarHBondContact O-CB 3.5Å; V124-L127 PolarHBondContact O-N 3.38Å; R125-L127 VanDerWaalsContact C-N 3.34Å; R125-L127 PolarHBondContact O-N 3.32Å; L127-C129 PolarHBondContact O-N 3.05Å; L127-I130 WeakPolarHBondContact O-CB 3.39Å; L127-I130 PolarHBondContact O-N 3.38Å; L127-I130 VanDerWaalsContact O-N 3.12Å; L127-F131 HydrophobicContact CD2-CD2 4.35Å; L127-F131 HydrophobicContact CD2-CE2 3.71Å; L127-F131 HydrophobicContact CG-CD2 4.01Å; L127-F131 HydrophobicContact CG-CE2 3.67Å; L127-F131 WeakPolarHBondContact O-CD2 3.44Å; L127-F131 PolarHBondContact O-N 3.44Å |
| 128 | I | 70.8 | Confident | 62.9 | Low | 77 Ų | 77 | 98.9 Ų | 98.9 | 40% | 0.395 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.8 | -47.8 | 174.4 | -67.9 | 164.5 | 0 | 0 | 0 | 110.2 | V124 R125 I130 F131 E132 | V124-I128 HydrophobicContact CG1-CD1 3.82Å; V124-I128 HydrophobicContact CG1-CG1 4.43Å; V124-I128 VanDerWaalsContact O-CG1 3.25Å; V124-I128 WeakPolarHBondContact O-CG1 3.46Å; V124-I128 PolarHBondContact O-N 3.36Å; R125-I128 PolarHBondContact O-N 3.34Å; I128-I130 VanDerWaalsContact C-N 3.28Å; I128-I130 PolarHBondContact O-N 3.04Å; I128-F131 CarbonylContact O-C 3.55Å; I128-F131 WeakPolarHBondContact O-CA 3.29Å; I128-F131 WeakPolarHBondContact O-CB 3.5Å; I128-F131 PolarHBondContact O-N 3.44Å; I128-E132 HydrophobicContact CG2-CG 4.15Å; I128-E132 WeakPolarHBondContact O-CB 3.28Å; I128-E132 WeakPolarHBondContact O-CG 3.15Å; I128-E132 PolarHBondContact O-N 3.15Å |
| 129 | C | 62.5 | Low | 62 | Low | 73 Ų | 73 | 97.9 Ų | 97.9 | 49% | 0.493 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -36 | 176.3 | -65.6 | 0 | 0 | 0 | 0 | 112.5 | R125 T126 L127 S133 | R125-C129 PolarHBondContact O-N 3.48Å; R125-C129 PolarHBondContact O-SG 2.86Å; T126-C129 PolarHBondContact O-N 3.17Å; L127-C129 PolarHBondContact O-N 3.05Å; C129-S133 WeakPolarHBondContact O-CB 3.26Å; C129-S133 PolarHBondContact O-N 3.17Å; C129-S133 PolarHBondContact O-OG 3.22Å |
| 130 | I | 61 | Low | 61.2 | Low | 78 Ų | 78 | 95 Ų | 95 | 40% | 0.4 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.4 | -38 | 174.5 | -68.2 | 164.4 | 0 | 0 | 0 | 110.8 | T126 L127 I128 S133 A135 | T126-I130 HydrophobicContact CG2-CD1 4.03Å; T126-I130 VanDerWaalsContact O-CG1 3.23Å; T126-I130 WeakPolarHBondContact O-CG1 3.39Å; T126-I130 PolarHBondContact O-N 2.79Å; L127-I130 WeakPolarHBondContact O-CB 3.39Å; L127-I130 PolarHBondContact O-N 3.38Å; L127-I130 VanDerWaalsContact O-N 3.12Å; I128-I130 VanDerWaalsContact C-N 3.28Å; I128-I130 PolarHBondContact O-N 3.04Å; I130-S133 PolarHBondContact O-OG 2.95Å; I130-A135 HydrophobicContact CG2-CB 3.98Å; I130-A135 PolarHBondContact O-N 3.01Å |
| 131 | F | 55.9 | Low | 60.4 | Low | 123 Ų | 123 | 95.7 Ų | 95.7 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.1 | -45.8 | 175.3 | -82.3 | -73.4 | 0 | 0 | 0 | 112 | L127 I128 V136 | L127-F131 HydrophobicContact CD2-CD2 4.35Å; L127-F131 HydrophobicContact CD2-CE2 3.71Å; L127-F131 HydrophobicContact CG-CD2 4.01Å; L127-F131 HydrophobicContact CG-CE2 3.67Å; L127-F131 WeakPolarHBondContact O-CD2 3.44Å; L127-F131 PolarHBondContact O-N 3.44Å; I128-F131 CarbonylContact O-C 3.55Å; I128-F131 WeakPolarHBondContact O-CA 3.29Å; I128-F131 WeakPolarHBondContact O-CB 3.5Å; I128-F131 PolarHBondContact O-N 3.44Å; F131-V136 HydrophobicContact CD1-CB 4.2Å; F131-V136 HydrophobicContact CD1-CG1 4.25Å; F131-V136 HydrophobicContact CD1-CG2 3.44Å; F131-V136 VanDerWaalsContact CD1-CG2 3.44Å; F131-V136 HydrophobicContact CE1-CB 4.49Å; F131-V136 HydrophobicContact CE1-CG1 4.18Å; F131-V136 HydrophobicContact CE1-CG2 3.69Å; F131-V136 HydrophobicContact CG-CG2 4.11Å |
| 132 | E | 61 | Low | 59.6 | Low | 153 Ų | 153 | 98.9 Ų | 98.9 | 72% | 0.715 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.2 | -37.2 | -179.4 | -73.5 | -179.6 | 163.5 | 0 | 0 | 113 | I128 G134 | I128-E132 HydrophobicContact CG2-CG 4.15Å; I128-E132 WeakPolarHBondContact O-CB 3.28Å; I128-E132 WeakPolarHBondContact O-CG 3.15Å; I128-E132 PolarHBondContact O-N 3.15Å; E132-G134 PolarHBondContact O-N 3.38Å |
| 133 | S | 54.7 | Low | 58.9 | Low | 91 Ų | 91 | 98.6 Ų | 98.6 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 8.4 | 178.1 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | C129 I130 A135 | C129-S133 WeakPolarHBondContact O-CB 3.26Å; C129-S133 PolarHBondContact O-N 3.17Å; C129-S133 PolarHBondContact O-OG 3.22Å; I130-S133 PolarHBondContact O-OG 2.95Å; S133-A135 PolarHBondContact O-N 3.25Å; S133-A135 VanDerWaalsContact O-N 3.14Å |
| 134 | G | 48.6 | Very low | 58.2 | Low | 29 Ų | 29 | 98.9 Ų | 98.9 | 30% | 0.299 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 12.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E132 V136 D137 | E132-G134 PolarHBondContact O-N 3.38Å; G134-V136 PolarHBondContact O-N 3.12Å; G134-V136 VanDerWaalsContact O-N 3.11Å; G134-D137 WeakPolarHBondContact O-CB 3.49Å; G134-D137 PolarHBondContact O-N 3.45Å |
| 135 | A | 48.8 | Very low | 57.7 | Low | 46 Ų | 46 | 101.8 Ų | 101.8 | 38% | 0.38 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -63.5 | -16.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I130 S133 R138 | I130-A135 HydrophobicContact CG2-CB 3.98Å; I130-A135 PolarHBondContact O-N 3.01Å; S133-A135 PolarHBondContact O-N 3.25Å; S133-A135 VanDerWaalsContact O-N 3.14Å; A135-R138 WeakPolarHBondContact O-CB 3.43Å; A135-R138 PolarHBondContact O-N 2.96Å |
| 136 | V | 51.5 | Low | 57.5 | Low | 54 Ų | 54 | 98.8 Ų | 98.8 | 33% | 0.327 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -78.8 | -18.9 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 113.3 | F131 G134 R138 V139 | F131-V136 HydrophobicContact CD1-CB 4.2Å; F131-V136 HydrophobicContact CD1-CG1 4.25Å; F131-V136 HydrophobicContact CD1-CG2 3.44Å; F131-V136 VanDerWaalsContact CD1-CG2 3.44Å; F131-V136 HydrophobicContact CE1-CB 4.49Å; F131-V136 HydrophobicContact CE1-CG1 4.18Å; F131-V136 HydrophobicContact CE1-CG2 3.69Å; F131-V136 HydrophobicContact CG-CG2 4.11Å; G134-V136 PolarHBondContact O-N 3.12Å; G134-V136 VanDerWaalsContact O-N 3.11Å; V136-R138 PolarHBondContact O-N 3.33Å; V136-R138 VanDerWaalsContact O-N 3.14Å; V136-V139 HydrophobicContact CG1-CG2 4.11Å; V136-V139 WeakPolarHBondContact O-CB 3.43Å; V136-V139 WeakPolarHBondContact O-CG2 3.26Å; V136-V139 PolarHBondContact O-N 3.29Å |
| 137 | D | 52.9 | Low | 57.4 | Low | 148 Ų | 148 | 98.4 Ų | 98.4 | 79% | 0.791 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -66.5 | -13.1 | 165.5 | -70.4 | -28.5 | 0 | 0 | 0 | 111.9 | G134 | G134-D137 WeakPolarHBondContact O-CB 3.49Å; G134-D137 PolarHBondContact O-N 3.45Å |
| 138 | R | 48.8 | Very low | 57.9 | Low | 218 Ų | 218 | 98.7 Ų | 98.7 | 82% | 0.823 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -91.4 | 6.6 | 170.6 | -55.6 | -169.9 | 179.4 | -160 | 0.9 | 114 | A135 V136 G140 | A135-R138 WeakPolarHBondContact O-CB 3.43Å; A135-R138 PolarHBondContact O-N 2.96Å; V136-R138 PolarHBondContact O-N 3.33Å; V136-R138 VanDerWaalsContact O-N 3.14Å; R138-G140 PolarHBondContact O-N 3.33Å |
| 139 | V | 50.4 | Low | 57.9 | Low | 61 Ų | 61 | 97.3 Ų | 97.3 | 37% | 0.37 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -72.7 | 70.4 | 158.3 | -170.1 | 0 | 0 | 0 | 0 | 106.9 | V136 K143 | V136-V139 HydrophobicContact CG1-CG2 4.11Å; V136-V139 WeakPolarHBondContact O-CB 3.43Å; V136-V139 WeakPolarHBondContact O-CG2 3.26Å; V136-V139 PolarHBondContact O-N 3.29Å; V139-K143 HydrophobicContact CG1-CB 3.8Å; V139-K143 HydrophobicContact CG1-CD 4.11Å |
| 140 | G | 51.8 | Low | 58.3 | Low | 25 Ų | 25 | 101.3 Ų | 101.3 | 26% | 0.258 | 53% | 0.525 | S | S | . | . | trans | -54.5 | 154.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111 | R138 L142 K143 | R138-G140 PolarHBondContact O-N 3.33Å; G140-L142 PolarHBondContact O-N 3.4Å; G140-K143 PolarHBondContact O-N 2.87Å | ||
| 141 | P | 53.7 | Low | 59.1 | Low | 115 Ų | 115 | 104.8 Ų | 104.8 | 75% | 0.747 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -46.1 | -27.8 | -178.8 | -28.5 | 32.6 | 0 | 0 | 0 | 114.3 | L144 Y145 | P141-L144 PolarHBondContact O-N 3.29Å; P141-Y145 WeakPolarHBondContact O-CB 3.49Å; P141-Y145 PolarHBondContact O-N 2.93Å |
| 142 | L | 53.2 | Low | 60.1 | Low | 117 Ų | 117 | 105.9 Ų | 105.9 | 61% | 0.613 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.1 | -42.2 | 175.7 | -166.1 | 65 | 0 | 0 | 0 | 113.5 | G140 Y145 H146 | G140-L142 PolarHBondContact O-N 3.4Å; L142-Y145 PolarHBondContact O-N 3.38Å; L142-H146 PolarHBondContact O-CD2 2.83Å; L142-H146 PolarHBondContact O-N 3.06Å |
| 143 | K | 56.6 | Low | 60.6 | Low | 142 Ų | 142 | 103 Ų | 103 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.2 | -39.7 | 177.1 | -77.8 | -173.4 | 177.7 | 178.7 | 0 | 111.5 | V139 G140 H146 A147 | V139-K143 HydrophobicContact CG1-CB 3.8Å; V139-K143 HydrophobicContact CG1-CD 4.11Å; G140-K143 PolarHBondContact O-N 2.87Å; K143-H146 PolarHBondContact O-N 3.32Å; K143-A147 WeakPolarHBondContact O-CB 3.4Å; K143-A147 PolarHBondContact O-N 2.86Å |
| 144 | L | 59.3 | Low | 61.3 | Low | 109 Ų | 109 | 102.6 Ų | 102.6 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -40.4 | 174 | -69.1 | 175.1 | 0 | 0 | 0 | 111.6 | P141 A147 Q148 | P141-L144 PolarHBondContact O-N 3.29Å; L144-A147 PolarHBondContact O-N 3.38Å; L144-Q148 WeakPolarHBondContact O-CB 3.32Å; L144-Q148 PolarHBondContact O-N 2.92Å |
| 145 | Y | 63.2 | Low | 62.5 | Low | 144 Ų | 144 | 104.1 Ų | 104.1 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.6 | -45.3 | 173.7 | 178 | -97.6 | 0 | 0 | 0 | 111.8 | P141 L142 Q148 T149 | P141-Y145 WeakPolarHBondContact O-CB 3.49Å; P141-Y145 PolarHBondContact O-N 2.93Å; L142-Y145 PolarHBondContact O-N 3.38Å; Y145-Q148 PolarHBondContact O-N 3.21Å; Y145-T149 VanDerWaalsContact O-CB 3.28Å; Y145-T149 WeakPolarHBondContact O-CB 3.49Å; Y145-T149 PolarHBondContact O-N 3.04Å; Y145-T149 PolarHBondContact O-OG1 3.03Å |
| 146 | H | 67 | Low | 63.8 | Low | 105 Ų | 105 | 110.1 Ų | 110.1 | 49% | 0.486 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 176.3 | -72 | -56.3 | 0 | 0 | 0 | 112.3 | L142 K143 Q148 T149 Y150 | L142-H146 PolarHBondContact O-CD2 2.83Å; L142-H146 PolarHBondContact O-N 3.06Å; K143-H146 PolarHBondContact O-N 3.32Å; H146-Q148 PolarHBondContact O-N 2.8Å; H146-T149 PolarHBondContact O-N 3.19Å; H146-Y150 VanDerWaalsContact O-CB 3.25Å; H146-Y150 WeakPolarHBondContact O-CB 3.36Å; H146-Y150 PolarHBondContact O-N 3.13Å |
| 147 | A | 69.5 | Low | 64.6 | Low | 60 Ų | 60 | 111.9 Ų | 111.9 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K143 L144 Y150 K151 | K143-A147 WeakPolarHBondContact O-CB 3.4Å; K143-A147 PolarHBondContact O-N 2.86Å; L144-A147 PolarHBondContact O-N 3.38Å; A147-Y150 PolarHBondContact O-N 2.87Å; A147-K151 WeakPolarHBondContact O-CB 3.48Å; A147-K151 PolarHBondContact O-N 3.02Å |
| 148 | Q | 75.2 | Confident | 65.5 | Low | 104 Ų | 104 | 108.1 Ų | 108.1 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68 | -39 | 177.1 | -168.7 | 178.9 | 15.3 | 0 | 0 | 112 | L144 Y145 H146 K151 R152 | L144-Q148 WeakPolarHBondContact O-CB 3.32Å; L144-Q148 PolarHBondContact O-N 2.92Å; Y145-Q148 PolarHBondContact O-N 3.21Å; H146-Q148 PolarHBondContact O-N 2.8Å; Q148-K151 PolarHBondContact O-N 3.27Å; Q148-R152 VanDerWaalsContact NE2-NH2 3.14Å; Q148-R152 WeakPolarHBondContact O-CG 3.48Å; Q148-R152 PolarHBondContact O-N 2.97Å |
| 149 | T | 70.5 | Confident | 66.5 | Low | 48 Ų | 48 | 100.6 Ų | 100.6 | 29% | 0.294 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 175.8 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | Y145 H146 K151 R152 E153 | Y145-T149 VanDerWaalsContact O-CB 3.28Å; Y145-T149 WeakPolarHBondContact O-CB 3.49Å; Y145-T149 PolarHBondContact O-N 3.04Å; Y145-T149 PolarHBondContact O-OG1 3.03Å; H146-T149 PolarHBondContact O-N 3.19Å; T149-K151 VanDerWaalsContact C-N 3.34Å; T149-K151 PolarHBondContact O-N 3.09Å; T149-R152 PolarHBondContact O-N 2.91Å; T149-E153 PolarHBondContact O-N 2.68Å |
| 150 | Y | 70 | Confident | 68 | Low | 158 Ų | 158 | 102.4 Ų | 102.4 | 62% | 0.62 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -42.6 | 176.5 | -168.5 | -106.6 | 0 | 0 | 0 | 111.7 | H146 A147 R152 E153 L154 | H146-Y150 VanDerWaalsContact O-CB 3.25Å; H146-Y150 WeakPolarHBondContact O-CB 3.36Å; H146-Y150 PolarHBondContact O-N 3.13Å; A147-Y150 PolarHBondContact O-N 2.87Å; Y150-R152 PolarHBondContact O-N 3.48Å; Y150-E153 PolarHBondContact O-N 2.94Å; Y150-L154 HydrophobicContact CD1-CD1 3.61Å; Y150-L154 HydrophobicContact CD1-CG 4.19Å; Y150-L154 HydrophobicContact CE1-CD1 3.29Å; Y150-L154 HydrophobicContact CE1-CG 3.93Å; Y150-L154 WeakPolarHBondContact O-CB 3.42Å; Y150-L154 WeakPolarHBondContact O-CG 3.5Å; Y150-L154 PolarHBondContact O-N 3.3Å |
| 151 | K | 78.9 | Confident | 69.3 | Low | 151 Ų | 151 | 105 Ų | 105 | 66% | 0.657 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.7 | -42.8 | 173.9 | -176.7 | 176.6 | 179.6 | 174.7 | 0 | 112.4 | A147 Q148 T149 S155 | A147-K151 WeakPolarHBondContact O-CB 3.48Å; A147-K151 PolarHBondContact O-N 3.02Å; Q148-K151 PolarHBondContact O-N 3.27Å; T149-K151 VanDerWaalsContact C-N 3.34Å; T149-K151 PolarHBondContact O-N 3.09Å; K151-S155 WeakPolarHBondContact O-CB 3.49Å; K151-S155 PolarHBondContact O-N 3.27Å; K151-S155 PolarHBondContact O-OG 3.15Å |
| 152 | R | 76.1 | Confident | 70.3 | Confident | 146 Ų | 146 | 104.6 Ų | 104.6 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -44.1 | 177.5 | -74.6 | 178.7 | -173.8 | 176.2 | 5.5 | 111.8 | Q148 T149 Y150 S155 R156 | Q148-R152 VanDerWaalsContact NE2-NH2 3.14Å; Q148-R152 WeakPolarHBondContact O-CG 3.48Å; Q148-R152 PolarHBondContact O-N 2.97Å; T149-R152 PolarHBondContact O-N 2.91Å; Y150-R152 PolarHBondContact O-N 3.48Å; R152-S155 WeakPolarHBondContact O-CB 3.43Å; R152-S155 PolarHBondContact O-N 3.35Å; R152-R156 PolarHBondContact O-N 3.38Å |
| 153 | E | 72.9 | Confident | 71.5 | Confident | 91 Ų | 91 | 99.7 Ų | 99.7 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 178.7 | -73.4 | -56.1 | 145.8 | 0 | 0 | 112.3 | T149 Y150 S155 R156 I157 | T149-E153 PolarHBondContact O-N 2.68Å; Y150-E153 PolarHBondContact O-N 2.94Å; E153-S155 VanDerWaalsContact C-N 3.29Å; E153-S155 PolarHBondContact O-N 3.44Å; E153-R156 WeakPolarHBondContact O-CB 3.48Å; E153-R156 PolarHBondContact O-N 3.35Å; E153-R156 VanDerWaalsContact O-N 3.1Å; E153-I157 WeakPolarHBondContact O-CG1 3.42Å; E153-I157 PolarHBondContact O-N 3.42Å |
| 154 | L | 67.7 | Low | 72.6 | Confident | 84 Ų | 84 | 96.6 Ų | 96.6 | 44% | 0.44 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 171.5 | -80.3 | 177.9 | 0 | 0 | 0 | 111.8 | Y150 R156 I157 S158 | Y150-L154 HydrophobicContact CD1-CD1 3.61Å; Y150-L154 HydrophobicContact CD1-CG 4.19Å; Y150-L154 HydrophobicContact CE1-CD1 3.29Å; Y150-L154 HydrophobicContact CE1-CG 3.93Å; Y150-L154 WeakPolarHBondContact O-CB 3.42Å; Y150-L154 WeakPolarHBondContact O-CG 3.5Å; Y150-L154 PolarHBondContact O-N 3.3Å; L154-R156 VanDerWaalsContact C-N 3.29Å; L154-R156 PolarHBondContact O-N 3.39Å; L154-I157 PolarHBondContact O-N 3.1Å; L154-S158 WeakPolarHBondContact O-CB 3.41Å; L154-S158 PolarHBondContact O-N 2.93Å; L154-S158 PolarHBondContact O-OG 3.43Å; L154-S158 VanDerWaalsContact O-OG 3.13Å |
| 155 | S | 74.5 | Confident | 73.1 | Confident | 61 Ų | 61 | 95.4 Ų | 95.4 | 43% | 0.427 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.4 | -34.6 | 176.6 | -57 | 0 | 0 | 0 | 0 | 112.1 | K151 R152 E153 S158 A159 | K151-S155 WeakPolarHBondContact O-CB 3.49Å; K151-S155 PolarHBondContact O-N 3.27Å; K151-S155 PolarHBondContact O-OG 3.15Å; R152-S155 WeakPolarHBondContact O-CB 3.43Å; R152-S155 PolarHBondContact O-N 3.35Å; E153-S155 VanDerWaalsContact C-N 3.29Å; E153-S155 PolarHBondContact O-N 3.44Å; S155-S158 WeakPolarHBondContact CA-OG 3.21Å; S155-S158 PolarHBondContact O-OG 3.28Å; S155-S158 VanDerWaalsContact O-OG 3.05Å; S155-A159 WeakPolarHBondContact O-CB 3.26Å; S155-A159 PolarHBondContact O-N 2.9Å |
| 156 | R | 75.3 | Confident | 73.5 | Confident | 172 Ų | 172 | 93.5 Ų | 93.5 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.7 | -44.1 | 176.9 | -171.5 | -179.2 | -175.4 | 156.3 | 2.8 | 111.6 | R152 E153 L154 H160 | R152-R156 PolarHBondContact O-N 3.38Å; E153-R156 WeakPolarHBondContact O-CB 3.48Å; E153-R156 PolarHBondContact O-N 3.35Å; E153-R156 VanDerWaalsContact O-N 3.1Å; L154-R156 VanDerWaalsContact C-N 3.29Å; L154-R156 PolarHBondContact O-N 3.39Å; R156-H160 WeakPolarHBondContact O-CB 3.37Å; R156-H160 PolarHBondContact O-N 3.37Å |
| 157 | I | 68.9 | Low | 74 | Confident | 91 Ų | 91 | 95 Ų | 95 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 177.1 | -65.9 | 166.2 | 0 | 0 | 0 | 109.9 | E153 L154 H160 N161 | E153-I157 WeakPolarHBondContact O-CG1 3.42Å; E153-I157 PolarHBondContact O-N 3.42Å; L154-I157 PolarHBondContact O-N 3.1Å; I157-H160 PolarHBondContact O-N 2.85Å; I157-N161 WeakPolarHBondContact O-CB 3.47Å; I157-N161 VanDerWaalsContact O-CG 3.22Å; I157-N161 PolarHBondContact O-N 2.94Å |
| 158 | S | 71.7 | Confident | 74.3 | Confident | 69 Ų | 69 | 99.2 Ų | 99.2 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 179 | 68.5 | 0 | 0 | 0 | 0 | 111.6 | L154 S155 H160 N161 L162 | L154-S158 WeakPolarHBondContact O-CB 3.41Å; L154-S158 PolarHBondContact O-N 2.93Å; L154-S158 PolarHBondContact O-OG 3.43Å; L154-S158 VanDerWaalsContact O-OG 3.13Å; S155-S158 WeakPolarHBondContact CA-OG 3.21Å; S155-S158 PolarHBondContact O-OG 3.28Å; S155-S158 VanDerWaalsContact O-OG 3.05Å; S158-H160 VanDerWaalsContact C-N 3.32Å; S158-H160 PolarHBondContact O-N 3.32Å; S158-N161 PolarHBondContact O-N 3.05Å; S158-L162 WeakPolarHBondContact O-CB 3.29Å; S158-L162 PolarHBondContact O-N 3.13Å |
| 159 | A | 70.5 | Confident | 74.3 | Confident | 59 Ų | 59 | 97.7 Ų | 97.7 | 49% | 0.488 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -37 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S155 G163 | S155-A159 WeakPolarHBondContact O-CB 3.26Å; S155-A159 PolarHBondContact O-N 2.9Å; A159-G163 WeakPolarHBondContact O-CA 3.42Å; A159-G163 PolarHBondContact O-N 3.42Å |
| 160 | H | 82 | Confident | 74.6 | Confident | 100 Ų | 100 | 102.3 Ų | 102.3 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -45.2 | 175.4 | 174.6 | -103.2 | 0 | 0 | 0 | 111.9 | R156 I157 S158 G163 Q164 | R156-H160 WeakPolarHBondContact O-CB 3.37Å; R156-H160 PolarHBondContact O-N 3.37Å; I157-H160 PolarHBondContact O-N 2.85Å; S158-H160 VanDerWaalsContact C-N 3.32Å; S158-H160 PolarHBondContact O-N 3.32Å; H160-G163 CarbonylContact O-C 3.59Å; H160-G163 PolarHBondContact O-N 2.93Å; H160-Q164 PolarHBondContact CE1-NE2 3.21Å; H160-Q164 PolarHBondContact NE2-NE2 2.94Å; H160-Q164 WeakPolarHBondContact O-CG 3.38Å; H160-Q164 PolarHBondContact O-N 3.05Å |
| 161 | N | 77.7 | Confident | 74.9 | Confident | 79 Ų | 79 | 103.2 Ų | 103.2 | 42% | 0.422 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -47.4 | 178.2 | -70.6 | -10.1 | 0 | 0 | 0 | 111.1 | I157 S158 G163 Q164 V165 | I157-N161 WeakPolarHBondContact O-CB 3.47Å; I157-N161 VanDerWaalsContact O-CG 3.22Å; I157-N161 PolarHBondContact O-N 2.94Å; S158-N161 PolarHBondContact O-N 3.05Å; N161-G163 VanDerWaalsContact C-N 3.28Å; N161-G163 PolarHBondContact O-N 2.85Å; N161-Q164 WeakPolarHBondContact O-CB 3.21Å; N161-Q164 PolarHBondContact O-N 2.72Å; N161-V165 WeakPolarHBondContact O-CG2 3.39Å; N161-V165 PolarHBondContact O-N 3.44Å |
| 162 | L | 75.5 | Confident | 74.8 | Confident | 106 Ų | 106 | 102.3 Ų | 102.3 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.1 | -44.1 | 172.4 | -178.4 | 62.5 | 0 | 0 | 0 | 110.6 | S158 Q164 V165 L166 | S158-L162 WeakPolarHBondContact O-CB 3.29Å; S158-L162 PolarHBondContact O-N 3.13Å; L162-Q164 VanDerWaalsContact C-N 3.32Å; L162-Q164 PolarHBondContact O-N 2.86Å; L162-V165 PolarHBondContact O-N 3.14Å; L162-L166 HydrophobicContact CD1-CD1 4.45Å; L162-L166 HydrophobicContact CD1-CG 4.36Å; L162-L166 HydrophobicContact CG-CD1 4.13Å; L162-L166 HydrophobicContact CG-CG 4.45Å; L162-L166 WeakPolarHBondContact O-CB 3.34Å; L162-L166 VanDerWaalsContact O-CG 3.32Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 3.44Å |
| 163 | G | 78.7 | Confident | 74.7 | Confident | 15 Ų | 15 | 99.1 Ų | 99.1 | 16% | 0.155 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A159 H160 N161 R167 | A159-G163 WeakPolarHBondContact O-CA 3.42Å; A159-G163 PolarHBondContact O-N 3.42Å; H160-G163 CarbonylContact O-C 3.59Å; H160-G163 PolarHBondContact O-N 2.93Å; N161-G163 VanDerWaalsContact C-N 3.28Å; N161-G163 PolarHBondContact O-N 2.85Å; G163-R167 WeakPolarHBondContact O-CB 3.31Å; G163-R167 VanDerWaalsContact O-CG 3.26Å; G163-R167 WeakPolarHBondContact O-CG 3.47Å; G163-R167 VanDerWaalsContact O-CZ 3.31Å; G163-R167 PolarHBondContact O-N 2.83Å; G163-R167 PolarHBondContact O-NE 3.32Å; G163-R167 PolarHBondContact O-NH1 2.84Å |
| 164 | Q | 79 | Confident | 75 | Confident | 76 Ų | 76 | 99.9 Ų | 99.9 | 36% | 0.355 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.6 | -44.5 | 172.8 | -73.5 | -170.4 | 22.5 | 0 | 0 | 112 | H160 N161 L162 R167 K168 | H160-Q164 PolarHBondContact CE1-NE2 3.21Å; H160-Q164 PolarHBondContact NE2-NE2 2.94Å; H160-Q164 WeakPolarHBondContact O-CG 3.38Å; H160-Q164 PolarHBondContact O-N 3.05Å; N161-Q164 WeakPolarHBondContact O-CB 3.21Å; N161-Q164 PolarHBondContact O-N 2.72Å; L162-Q164 VanDerWaalsContact C-N 3.32Å; L162-Q164 PolarHBondContact O-N 2.86Å; Q164-R167 PolarHBondContact O-N 3.05Å; Q164-K168 WeakPolarHBondContact O-CG 3.29Å; Q164-K168 PolarHBondContact O-N 2.73Å |
| 165 | V | 70.9 | Confident | 75 | Confident | 84 Ų | 84 | 101.9 Ų | 101.9 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.6 | -52.8 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 109.4 | N161 L162 R167 K168 T169 | N161-V165 WeakPolarHBondContact O-CG2 3.39Å; N161-V165 PolarHBondContact O-N 3.44Å; L162-V165 PolarHBondContact O-N 3.14Å; V165-R167 VanDerWaalsContact C-N 3.3Å; V165-R167 PolarHBondContact O-N 2.64Å; V165-K168 CarbonylContact O-C 3.59Å; V165-K168 WeakPolarHBondContact O-CB 3.14Å; V165-K168 PolarHBondContact O-N 2.8Å; V165-T169 PolarHBondContact O-N 3.47Å; V165-T169 PolarHBondContact O-OG1 3.21Å |
| 166 | L | 70.3 | Confident | 74.8 | Confident | 105 Ų | 105 | 104.3 Ų | 104.3 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 178.7 | -67.6 | 175.2 | 0 | 0 | 0 | 112.7 | L162 K170 | L162-L166 HydrophobicContact CD1-CD1 4.45Å; L162-L166 HydrophobicContact CD1-CG 4.36Å; L162-L166 HydrophobicContact CG-CD1 4.13Å; L162-L166 HydrophobicContact CG-CG 4.45Å; L162-L166 WeakPolarHBondContact O-CB 3.34Å; L162-L166 VanDerWaalsContact O-CG 3.32Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 3.44Å; L166-K170 VanDerWaalsContact O-CB 3.29Å; L166-K170 WeakPolarHBondContact O-CB 3.43Å; L166-K170 PolarHBondContact O-N 3.24Å |
| 167 | R | 77.1 | Confident | 74.5 | Confident | 137 Ų | 137 | 101.5 Ų | 101.5 | 52% | 0.517 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 174.3 | -77.2 | -173.2 | -63.3 | -91.9 | 3.6 | 112.6 | G163 Q164 V165 R171 | G163-R167 WeakPolarHBondContact O-CB 3.31Å; G163-R167 VanDerWaalsContact O-CG 3.26Å; G163-R167 WeakPolarHBondContact O-CG 3.47Å; G163-R167 VanDerWaalsContact O-CZ 3.31Å; G163-R167 PolarHBondContact O-N 2.83Å; G163-R167 PolarHBondContact O-NE 3.32Å; G163-R167 PolarHBondContact O-NH1 2.84Å; Q164-R167 PolarHBondContact O-N 3.05Å; V165-R167 VanDerWaalsContact C-N 3.3Å; V165-R167 PolarHBondContact O-N 2.64Å; R167-R171 WeakPolarHBondContact O-CG 3.46Å; R167-R171 PolarHBondContact O-N 3.45Å |
| 168 | K | 77.2 | Confident | 74.1 | Confident | 147 Ų | 147 | 100.9 Ų | 100.9 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.4 | -45.8 | 175.6 | -75.1 | -178.7 | 179.1 | -179.8 | 0 | 110.9 | Q164 V165 K170 R171 F172 | Q164-K168 WeakPolarHBondContact O-CG 3.29Å; Q164-K168 PolarHBondContact O-N 2.73Å; V165-K168 CarbonylContact O-C 3.59Å; V165-K168 WeakPolarHBondContact O-CB 3.14Å; V165-K168 PolarHBondContact O-N 2.8Å; K168-K170 VanDerWaalsContact C-N 3.33Å; K168-K170 PolarHBondContact O-N 2.97Å; K168-R171 PolarHBondContact O-N 3Å; K168-R171 VanDerWaalsContact O-N 3.17Å; K168-F172 WeakPolarHBondContact O-CB 3.36Å; K168-F172 PolarHBondContact O-N 2.83Å |
| 169 | T | 74 | Confident | 73.3 | Confident | 73 Ų | 73 | 102.9 Ų | 102.9 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 175.3 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | V165 R171 F172 N173 | V165-T169 PolarHBondContact O-N 3.47Å; V165-T169 PolarHBondContact O-OG1 3.21Å; T169-R171 PolarHBondContact O-N 3.42Å; T169-F172 PolarHBondContact O-N 2.95Å; T169-N173 VanDerWaalsContact O-CB 3.26Å; T169-N173 WeakPolarHBondContact O-CB 3.22Å; T169-N173 PolarHBondContact O-N 3.38Å |
| 170 | K | 77.5 | Confident | 72.5 | Confident | 145 Ų | 145 | 110.1 Ų | 110.1 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.6 | -42.1 | 174.9 | -173.9 | 174.2 | -178.5 | 174.2 | 0 | 112.5 | L166 K168 N173 Q174 | L166-K170 VanDerWaalsContact O-CB 3.29Å; L166-K170 WeakPolarHBondContact O-CB 3.43Å; L166-K170 PolarHBondContact O-N 3.24Å; K168-K170 VanDerWaalsContact C-N 3.33Å; K168-K170 PolarHBondContact O-N 2.97Å; K170-N173 PolarHBondContact O-N 3.11Å; K170-Q174 WeakPolarHBondContact O-CB 3.39Å; K170-Q174 VanDerWaalsContact O-CG 3.3Å; K170-Q174 WeakPolarHBondContact O-CG 3.4Å; K170-Q174 PolarHBondContact O-N 3.07Å |
| 171 | R | 76 | Confident | 71 | Confident | 177 Ų | 177 | 116.8 Ų | 116.8 | 67% | 0.668 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.1 | -39.8 | 175.1 | -76 | 179.1 | -171.7 | -116.4 | 1.5 | 112.4 | R167 K168 T169 Q174 L175 | R167-R171 WeakPolarHBondContact O-CG 3.46Å; R167-R171 PolarHBondContact O-N 3.45Å; K168-R171 PolarHBondContact O-N 3Å; K168-R171 VanDerWaalsContact O-N 3.17Å; T169-R171 PolarHBondContact O-N 3.42Å; R171-Q174 WeakPolarHBondContact O-CB 3.5Å; R171-Q174 PolarHBondContact O-N 3.42Å; R171-L175 WeakPolarHBondContact O-CG 3.22Å; R171-L175 PolarHBondContact O-N 2.85Å |
| 172 | F | 77 | Confident | 69.7 | Low | 131 Ų | 131 | 118 Ų | 118 | 58% | 0.575 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.6 | -44.2 | 175.5 | -179.6 | -105.5 | 0 | 0 | 0 | 111.2 | K168 T169 Q174 L175 L176 | K168-F172 WeakPolarHBondContact O-CB 3.36Å; K168-F172 PolarHBondContact O-N 2.83Å; T169-F172 PolarHBondContact O-N 2.95Å; F172-Q174 VanDerWaalsContact C-N 3.32Å; F172-Q174 PolarHBondContact O-N 2.95Å; F172-L175 WeakPolarHBondContact O-CA 3.37Å; F172-L175 WeakPolarHBondContact O-CB 3.44Å; F172-L175 PolarHBondContact O-N 2.83Å; F172-L176 HydrophobicContact CD1-CD1 3.91Å; F172-L176 HydrophobicContact CD1-CG 4.4Å; F172-L176 HydrophobicContact CE1-CD1 3.41Å; F172-L176 VanDerWaalsContact CE1-CD1 3.41Å; F172-L176 HydrophobicContact CE1-CG 4.05Å; F172-L176 HydrophobicContact CZ-CD1 3.91Å; F172-L176 HydrophobicContact CZ-CD2 4.22Å; F172-L176 HydrophobicContact CZ-CG 4.17Å; F172-L176 WeakPolarHBondContact O-CG 3.4Å; F172-L176 PolarHBondContact O-N 2.94Å |
| 173 | N | 74.4 | Confident | 68.3 | Low | 79 Ų | 79 | 116 Ų | 116 | 42% | 0.422 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.4 | -37.4 | 176.2 | -153 | -58.9 | 0 | 0 | 0 | 111.4 | T169 K170 L175 L176 N177 | T169-N173 VanDerWaalsContact O-CB 3.26Å; T169-N173 WeakPolarHBondContact O-CB 3.22Å; T169-N173 PolarHBondContact O-N 3.38Å; K170-N173 PolarHBondContact O-N 3.11Å; N173-L175 VanDerWaalsContact C-N 3.35Å; N173-L175 PolarHBondContact O-N 3.35Å; N173-L176 PolarHBondContact O-N 3.1Å; N173-N177 WeakPolarHBondContact O-CB 3.41Å; N173-N177 VanDerWaalsContact O-CG 3.27Å; N173-N177 PolarHBondContact O-N 3.39Å; N173-N177 PolarHBondContact O-ND2 2.89Å; N173-N177 PolarHBondContact OD1-ND2 3.3Å |
| 174 | Q | 78 | Confident | 67.1 | Low | 108 Ų | 108 | 122.6 Ų | 122.6 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.7 | -40.7 | 169 | -77.4 | 173.8 | -13.4 | 0 | 0 | 112.4 | K170 R171 F172 L176 N177 T178 | K170-Q174 WeakPolarHBondContact O-CB 3.39Å; K170-Q174 VanDerWaalsContact O-CG 3.3Å; K170-Q174 WeakPolarHBondContact O-CG 3.4Å; K170-Q174 PolarHBondContact O-N 3.07Å; R171-Q174 WeakPolarHBondContact O-CB 3.5Å; R171-Q174 PolarHBondContact O-N 3.42Å; F172-Q174 VanDerWaalsContact C-N 3.32Å; F172-Q174 PolarHBondContact O-N 2.95Å; Q174-L176 VanDerWaalsContact C-N 3.33Å; Q174-N177 PolarHBondContact O-N 3.25Å; Q174-T178 WeakPolarHBondContact O-CA 3.28Å; Q174-T178 WeakPolarHBondContact O-CB 3.36Å; Q174-T178 WeakPolarHBondContact O-CG2 3.43Å; Q174-T178 PolarHBondContact O-N 3.44Å; Q174-T178 PolarHBondContact O-OG1 3.17Å; Q174-T178 VanDerWaalsContact O-OG1 3.06Å |
| 175 | L | 68.8 | Low | 65.8 | Low | 126 Ų | 126 | 124.5 Ų | 124.5 | 66% | 0.66 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.4 | -32.8 | 176.9 | -72.4 | 164.2 | 0 | 0 | 0 | 112.9 | R171 F172 N173 T178 | R171-L175 WeakPolarHBondContact O-CG 3.22Å; R171-L175 PolarHBondContact O-N 2.85Å; F172-L175 WeakPolarHBondContact O-CA 3.37Å; F172-L175 WeakPolarHBondContact O-CB 3.44Å; F172-L175 PolarHBondContact O-N 2.83Å; N173-L175 VanDerWaalsContact C-N 3.35Å; N173-L175 PolarHBondContact O-N 3.35Å; L175-T178 WeakPolarHBondContact CA-OG1 3.25Å; L175-T178 PolarHBondContact O-OG1 2.98Å |
| 176 | L | 70.4 | Confident | 65 | Low | 112 Ų | 112 | 121.9 Ų | 121.9 | 59% | 0.586 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.8 | -41.2 | 174.7 | -68.3 | 178.9 | 0 | 0 | 0 | 111.9 | F172 N173 Q174 | F172-L176 HydrophobicContact CD1-CD1 3.91Å; F172-L176 HydrophobicContact CD1-CG 4.4Å; F172-L176 HydrophobicContact CE1-CD1 3.41Å; F172-L176 VanDerWaalsContact CE1-CD1 3.41Å; F172-L176 HydrophobicContact CE1-CG 4.05Å; F172-L176 HydrophobicContact CZ-CD1 3.91Å; F172-L176 HydrophobicContact CZ-CD2 4.22Å; F172-L176 HydrophobicContact CZ-CG 4.17Å; F172-L176 WeakPolarHBondContact O-CG 3.4Å; F172-L176 PolarHBondContact O-N 2.94Å; N173-L176 PolarHBondContact O-N 3.1Å; Q174-L176 VanDerWaalsContact C-N 3.33Å |
| 177 | N | 69.3 | Low | 64.3 | Low | 113 Ų | 113 | 120.8 Ų | 120.8 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -87.9 | -14.8 | -177.3 | -62.9 | -19.4 | 0 | 0 | 0 | 113.5 | N173 Q174 P179 | N173-N177 WeakPolarHBondContact O-CB 3.41Å; N173-N177 VanDerWaalsContact O-CG 3.27Å; N173-N177 PolarHBondContact O-N 3.39Å; N173-N177 PolarHBondContact O-ND2 2.89Å; N173-N177 PolarHBondContact OD1-ND2 3.3Å; Q174-N177 PolarHBondContact O-N 3.25Å; N177-P179 WeakPolarHBondContact O-CD 3.45Å |
| 178 | T | 59 | Low | 63.3 | Low | 77 Ų | 77 | 116.5 Ų | 116.5 | 47% | 0.472 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -61.5 | 114.9 | 169.7 | 41.5 | 0 | 0 | 0 | 0 | 105.8 | Q174 L175 R180 | Q174-T178 WeakPolarHBondContact O-CA 3.28Å; Q174-T178 WeakPolarHBondContact O-CB 3.36Å; Q174-T178 WeakPolarHBondContact O-CG2 3.43Å; Q174-T178 PolarHBondContact O-N 3.44Å; Q174-T178 PolarHBondContact O-OG1 3.17Å; Q174-T178 VanDerWaalsContact O-OG1 3.06Å; L175-T178 WeakPolarHBondContact CA-OG1 3.25Å; L175-T178 PolarHBondContact O-OG1 2.98Å; T178-R180 PolarHBondContact O-N 2.74Å |
| 179 | P | 54.9 | Low | 62.3 | Low | 112 Ų | 112 | 114.9 Ų | 114.9 | 73% | 0.727 | 57% | 0.566 | S | S | * | * | trans | -50.6 | 119.2 | 174.7 | -23 | 33.5 | 0 | 0 | 0 | 105.4 | N177 R181 | N177-P179 WeakPolarHBondContact O-CD 3.45Å; P179-R181 PolarHBondContact O-N 2.87Å | ||
| 180 | R | 55.3 | Low | 61.5 | Low | 210 Ų | 210 | 115.2 Ų | 115.2 | 79% | 0.792 | 56% | 0.564 | S | S | * | * | trans | -55 | 96.2 | 175.3 | -127.5 | 172.7 | -179.7 | 155.3 | -0.8 | 103.6 | T178 H182 | T178-R180 PolarHBondContact O-N 2.74Å; R180-H182 WeakPolarHBondContact CD-NE2 3.38Å; R180-H182 PolarHBondContact O-CD2 3.01Å; R180-H182 PolarHBondContact O-N 3.15Å | ||
| 181 | R | 50.6 | Low | 60.5 | Low | 241 Ų | 241 | 113.9 Ų | 113.9 | 91% | 0.909 | 56% | 0.56 | S | S | * | * | trans | -69.3 | 75.7 | 166.6 | -73.8 | -172.4 | 167.6 | -156 | -4 | 102.8 | P179 S183 | P179-R181 PolarHBondContact O-N 2.87Å; R181-S183 PolarHBondContact O-N 3.13Å | ||
| 182 | H | 49.4 | Very low | 59.4 | Low | 103 Ų | 103 | 108.4 Ų | 108.4 | 48% | 0.477 | 55% | 0.549 | S | S | . | . | trans | -49.9 | 101.9 | 147.2 | -63.2 | -68.8 | 0 | 0 | 0 | 102 | R180 L184 S186 | R180-H182 WeakPolarHBondContact CD-NE2 3.38Å; R180-H182 PolarHBondContact O-CD2 3.01Å; R180-H182 PolarHBondContact O-N 3.15Å; H182-L184 PolarHBondContact O-N 3.36Å; H182-S186 WeakPolarHBondContact CA-OG 3.48Å | ||
| 183 | S | 46.6 | Very low | 58.3 | Low | 66 Ų | 66 | 107 Ų | 107 | 46% | 0.462 | 55% | 0.547 | S | S | . | . | trans | -45.3 | 130.1 | 165.6 | 40.4 | 0 | 0 | 0 | 0 | 104.6 | R181 D185 S186 Q187 | R181-S183 PolarHBondContact O-N 3.13Å; S183-D185 CarbonylContact O-C 3.59Å; S183-D185 PolarHBondContact O-N 2.88Å; S183-S186 PolarHBondContact N-OG 3.11Å; S183-S186 WeakPolarHBondContact O-CA 3.25Å; S183-S186 PolarHBondContact O-N 3.39Å; S183-S186 PolarHBondContact O-OG 3.46Å; S183-S186 PolarHBondContact OG-OG 2.84Å; S183-Q187 PolarHBondContact O-N 3.09Å | ||
| 184 | L | 53.1 | Low | 57.2 | Low | 153 Ų | 153 | 109.2 Ų | 109.2 | 80% | 0.801 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -49.1 | -27.3 | 178.4 | -79.4 | 158.7 | 0 | 0 | 0 | 111 | H182 S186 Q187 A188 | H182-L184 PolarHBondContact O-N 3.36Å; L184-S186 PolarHBondContact O-N 3.5Å; L184-Q187 PolarHBondContact O-N 2.72Å; L184-A188 VanDerWaalsContact O-CB 3.26Å; L184-A188 WeakPolarHBondContact O-CB 3.36Å; L184-A188 PolarHBondContact O-N 3.5Å |
| 185 | D | 52.8 | Low | 56 | Low | 116 Ų | 116 | 108.3 Ų | 108.3 | 62% | 0.62 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.2 | -34.7 | 170.8 | -63.4 | -15.2 | 0 | 0 | 0 | 115.3 | S183 M189 | S183-D185 CarbonylContact O-C 3.59Å; S183-D185 PolarHBondContact O-N 2.88Å; D185-M189 HydrophobicContact CB-CE 4.45Å; D185-M189 WeakPolarHBondContact O-CB 3.46Å; D185-M189 WeakPolarHBondContact O-CE 3.17Å; D185-M189 VanDerWaalsContact O-CG 3.22Å; D185-M189 WeakPolarHBondContact O-CG 3.34Å; D185-M189 PolarHBondContact O-N 3.34Å |
| 186 | S | 54.1 | Low | 55.1 | Low | 28 Ų | 28 | 105.9 Ų | 105.9 | 20% | 0.196 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -73.1 | -37.3 | 176 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | H182 S183 L184 M189 I190 | H182-S186 WeakPolarHBondContact CA-OG 3.48Å; S183-S186 PolarHBondContact N-OG 3.11Å; S183-S186 WeakPolarHBondContact O-CA 3.25Å; S183-S186 PolarHBondContact O-N 3.39Å; S183-S186 PolarHBondContact O-OG 3.46Å; S183-S186 PolarHBondContact OG-OG 2.84Å; L184-S186 PolarHBondContact O-N 3.5Å; S186-M189 PolarHBondContact O-N 3.45Å; S186-I190 WeakPolarHBondContact O-CD1 3.42Å; S186-I190 WeakPolarHBondContact O-CG1 3.45Å; S186-I190 PolarHBondContact O-N 2.89Å |
| 187 | Q | 54.2 | Low | 53.5 | Low | 82 Ų | 82 | 103.2 Ų | 103.2 | 38% | 0.383 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -71.4 | -42.6 | 175.1 | -163.7 | 69.8 | 13 | 0 | 0 | 110.4 | S183 L184 M189 I190 E191 | S183-Q187 PolarHBondContact O-N 3.09Å; L184-Q187 PolarHBondContact O-N 2.72Å; Q187-M189 VanDerWaalsContact C-N 3.31Å; Q187-M189 PolarHBondContact O-N 3.41Å; Q187-I190 PolarHBondContact O-N 3.47Å; Q187-E191 WeakPolarHBondContact O-CB 3.11Å; Q187-E191 WeakPolarHBondContact O-CG 3.24Å; Q187-E191 PolarHBondContact O-N 2.82Å |
| 188 | A | 57.7 | Low | 52.3 | Low | 48 Ų | 48 | 104.5 Ų | 104.5 | 40% | 0.397 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.1 | -37.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L184 S192 | L184-A188 VanDerWaalsContact O-CB 3.26Å; L184-A188 WeakPolarHBondContact O-CB 3.36Å; L184-A188 PolarHBondContact O-N 3.5Å; A188-S192 VanDerWaalsContact O-CB 3.31Å; A188-S192 WeakPolarHBondContact O-CB 3.39Å; A188-S192 PolarHBondContact O-N 3.44Å; A188-S192 PolarHBondContact O-OG 3.48Å |
| 189 | M | 54.5 | Low | 51.4 | Low | 113 Ų | 113 | 104.7 Ų | 104.7 | 56% | 0.557 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.8 | -40 | 173 | -84 | -171.8 | -74.5 | 0 | 0 | 112.3 | D185 S186 Q187 S192 L193 | D185-M189 HydrophobicContact CB-CE 4.45Å; D185-M189 WeakPolarHBondContact O-CB 3.46Å; D185-M189 WeakPolarHBondContact O-CE 3.17Å; D185-M189 VanDerWaalsContact O-CG 3.22Å; D185-M189 WeakPolarHBondContact O-CG 3.34Å; D185-M189 PolarHBondContact O-N 3.34Å; S186-M189 PolarHBondContact O-N 3.45Å; Q187-M189 VanDerWaalsContact C-N 3.31Å; Q187-M189 PolarHBondContact O-N 3.41Å; M189-S192 VanDerWaalsContact CA-OG 3.32Å; M189-S192 WeakPolarHBondContact CA-OG 3.15Å; M189-S192 PolarHBondContact O-OG 3.31Å; M189-L193 VanDerWaalsContact O-CB 3.25Å; M189-L193 WeakPolarHBondContact O-CB 3.44Å; M189-L193 WeakPolarHBondContact O-CD1 3.4Å; M189-L193 VanDerWaalsContact O-CG 3.28Å; M189-L193 WeakPolarHBondContact O-CG 3.21Å; M189-L193 PolarHBondContact O-N 2.92Å |
| 190 | I | 58.7 | Low | 50.4 | Low | 80 Ų | 80 | 103.4 Ų | 103.4 | 41% | 0.41 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.7 | -41.3 | 175.5 | -67.7 | 162.9 | 0 | 0 | 0 | 110.5 | S186 Q187 L193 N194 | S186-I190 WeakPolarHBondContact O-CD1 3.42Å; S186-I190 WeakPolarHBondContact O-CG1 3.45Å; S186-I190 PolarHBondContact O-N 2.89Å; Q187-I190 PolarHBondContact O-N 3.47Å; I190-L193 PolarHBondContact O-N 2.99Å; I190-N194 PolarHBondContact O-N 3.47Å |
| 191 | E | 55.5 | Low | 49.3 | Very low | 116 Ų | 116 | 99.7 Ų | 99.7 | 54% | 0.542 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.4 | -39 | 176.5 | -75.4 | 173.7 | -169.4 | 0 | 0 | 111.7 | Q187 N194 A195 | Q187-E191 WeakPolarHBondContact O-CB 3.11Å; Q187-E191 WeakPolarHBondContact O-CG 3.24Å; Q187-E191 PolarHBondContact O-N 2.82Å; E191-N194 PolarHBondContact O-N 3.04Å; E191-A195 VanDerWaalsContact O-CB 3.32Å; E191-A195 WeakPolarHBondContact O-CB 3.33Å; E191-A195 PolarHBondContact O-N 3.42Å |
| 192 | S | 53.7 | Low | 48.9 | Very low | 62 Ų | 62 | 94.5 Ų | 94.5 | 43% | 0.434 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.9 | -30 | 173.4 | 46.1 | 0 | 0 | 0 | 0 | 112.9 | A188 M189 N194 A195 A196 | A188-S192 VanDerWaalsContact O-CB 3.31Å; A188-S192 WeakPolarHBondContact O-CB 3.39Å; A188-S192 PolarHBondContact O-N 3.44Å; A188-S192 PolarHBondContact O-OG 3.48Å; M189-S192 VanDerWaalsContact CA-OG 3.32Å; M189-S192 WeakPolarHBondContact CA-OG 3.15Å; M189-S192 PolarHBondContact O-OG 3.31Å; S192-N194 VanDerWaalsContact C-N 3.31Å; S192-A195 PolarHBondContact O-N 3.38Å; S192-A196 WeakPolarHBondContact O-CB 3.48Å; S192-A196 PolarHBondContact O-N 2.84Å |
| 193 | L | 53 | Low | 48.3 | Very low | 101 Ų | 101 | 94.2 Ų | 94.2 | 53% | 0.529 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.5 | -33.9 | 167.7 | -84.2 | 158.4 | 0 | 0 | 0 | 112.2 | M189 I190 | M189-L193 VanDerWaalsContact O-CB 3.25Å; M189-L193 WeakPolarHBondContact O-CB 3.44Å; M189-L193 WeakPolarHBondContact O-CD1 3.4Å; M189-L193 VanDerWaalsContact O-CG 3.28Å; M189-L193 WeakPolarHBondContact O-CG 3.21Å; M189-L193 PolarHBondContact O-N 2.92Å; I190-L193 PolarHBondContact O-N 2.99Å |
| 194 | N | 51.6 | Low | 47.6 | Very low | 127 Ų | 127 | 95.6 Ų | 95.6 | 68% | 0.679 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -79.4 | -32.2 | 175.6 | -74.3 | -20.1 | 0 | 0 | 0 | 112.7 | I190 E191 S192 | I190-N194 PolarHBondContact O-N 3.47Å; E191-N194 PolarHBondContact O-N 3.04Å; S192-N194 VanDerWaalsContact C-N 3.31Å |
| 195 | A | 53.7 | Low | 46.7 | Very low | 88 Ų | 88 | 99.6 Ų | 99.6 | 73% | 0.727 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -80.6 | -32.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E191 S192 A197 | E191-A195 VanDerWaalsContact O-CB 3.32Å; E191-A195 WeakPolarHBondContact O-CB 3.33Å; E191-A195 PolarHBondContact O-N 3.42Å; S192-A195 PolarHBondContact O-N 3.38Å; A195-A197 VanDerWaalsContact C-N 3.3Å; A195-A197 PolarHBondContact O-N 3.38Å |
| 196 | A | 48.8 | Very low | 45.9 | Very low | 75 Ų | 75 | 104.2 Ų | 104.2 | 62% | 0.62 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -85.4 | 75.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | S192 | S192-A196 WeakPolarHBondContact O-CB 3.48Å; S192-A196 PolarHBondContact O-N 2.84Å |
| 197 | A | 37.7 | Very low | 45.2 | Very low | 56 Ų | 56 | 109.8 Ų | 109.8 | 46% | 0.463 | 64% | 0.641 | S | S | . | * | trans | 80 | 116.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | A195 G199 | A195-A197 VanDerWaalsContact C-N 3.3Å; A195-A197 PolarHBondContact O-N 3.38Å; A197-G199 PolarHBondContact O-N 3.33Å; A197-G199 VanDerWaalsContact O-N 3.09Å | ||
| 198 | P | 43.2 | Very low | 44.2 | Very low | 140 Ų | 140 | 108.9 Ų | 108.9 | 91% | 0.909 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 113 | 167.9 | 28.7 | -29.4 | 0 | 0 | 0 | 108.3 | ||
| 199 | G | 40 | Very low | 43.2 | Very low | 82 Ų | 82 | 115.3 Ų | 115.3 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117.8 | 4.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | A197 | A197-G199 PolarHBondContact O-N 3.33Å; A197-G199 VanDerWaalsContact O-N 3.09Å |
| 200 | A | 34.1 | Very low | 42.3 | Very low | 84 Ų | 84 | 112 Ų | 112 | 69% | 0.694 | 68% | 0.676 | S | S | * | * | trans | -119.2 | 58.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 201 | H | 32 | Very low | 41.6 | Very low | 133 Ų | 133 | 116.6 Ų | 116.6 | 62% | 0.616 | 70% | 0.702 | S | S | * | * | trans | -98 | 121.7 | 164 | -152.6 | -80.2 | 0 | 0 | 0 | 109.5 | S203 | H201-S203 PolarHBondContact O-N 2.71Š| ||
| 202 | P | 42.7 | Very low | 41.2 | Very low | 131 Ų | 131 | 114.6 Ų | 114.6 | 85% | 0.851 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 20.4 | -168.9 | 29.1 | -34.9 | 0 | 0 | 0 | 115.4 | ||
| 203 | S | 36.6 | Very low | 40.8 | Very low | 97 Ų | 97 | 113.7 Ų | 113.7 | 68% | 0.678 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -3.6 | 178.8 | -173 | 0 | 0 | 0 | 0 | 114.1 | H201 | H201-S203 PolarHBondContact O-N 2.71Š|
| 204 | C | 32.1 | Very low | 40.9 | Very low | 96 Ų | 96 | 116.5 Ų | 116.5 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | trans | -133 | 71.8 | 175.5 | -71.3 | 0 | 0 | 0 | 0 | 109 | Y206 | C204-Y206 HydrophobicContact CB-CD2 4.38Å; C204-Y206 PolarHBondContact O-N 3.41Å | ||
| 205 | R | 34.3 | Very low | 40.9 | Very low | 237 Ų | 237 | 114 Ų | 114 | 89% | 0.894 | 71% | 0.706 | S | S | * | * | trans | -64.1 | 79.9 | 142.7 | -79.1 | -174.3 | 167.2 | 158.6 | -2.7 | 106 | L207 | R205-L207 PolarHBondContact O-N 3.09Š| ||
| 206 | Y | 35 | Very low | 40.7 | Very low | 213 Ų | 213 | 113.6 Ų | 113.6 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | trans | -58.3 | 94.3 | 151.2 | -112.1 | -95.9 | 0 | 0 | 0 | 103.7 | C204 G208 | C204-Y206 HydrophobicContact CB-CD2 4.38Å; C204-Y206 PolarHBondContact O-N 3.41Å; Y206-G208 VanDerWaalsContact C-N 3.27Å; Y206-G208 PolarHBondContact O-N 3.13Å | ||
| 207 | L | 39.5 | Very low | 40.7 | Very low | 144 Ų | 144 | 116.3 Ų | 116.3 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | trans | -52.2 | 104.2 | 162.2 | -80.2 | 133 | 0 | 0 | 0 | 104.6 | R205 D209 | R205-L207 PolarHBondContact O-N 3.09Å; L207-D209 PolarHBondContact O-N 2.64Å | ||
| 208 | G | 34.7 | Very low | 41.6 | Very low | 63 Ų | 63 | 118.4 Ų | 118.4 | 65% | 0.649 | 70% | 0.696 | S | S | * | * | trans | -57.4 | 134 | -175.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y206 G210 | Y206-G208 VanDerWaalsContact C-N 3.27Å; Y206-G208 PolarHBondContact O-N 3.13Å; G208-G210 PolarHBondContact O-N 3.27Å | ||
| 209 | D | 36.7 | Very low | 42.1 | Very low | 184 Ų | 184 | 119.8 Ų | 119.8 | 98% | 0.984 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 25 | 34.2 | 160.8 | -76.8 | -10.9 | 0 | 0 | 0 | 118.8 | L207 | L207-D209 PolarHBondContact O-N 2.64Š|
| 210 | G | 35.9 | Very low | 42.5 | Very low | 43 Ų | 43 | 118.6 Ų | 118.6 | 44% | 0.443 | 67% | 0.665 | S | S | . | * | trans | -111.6 | 114.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | G208 V212 | G208-G210 PolarHBondContact O-N 3.27Å; G210-V212 PolarHBondContact O-N 3.24Å | ||
| 211 | D | 43.7 | Very low | 43.3 | Very low | 177 Ų | 177 | 120.4 Ų | 120.4 | 95% | 0.947 | 66% | 0.663 | S | S | * | * | trans | -63.8 | 68.1 | 177.2 | -159.4 | 13 | 0 | 0 | 0 | 110.9 | ||||
| 212 | V | 46.7 | Very low | 44.3 | Very low | 73 Ų | 73 | 116.7 Ų | 116.7 | 44% | 0.442 | 65% | 0.652 | S | S | . | * | trans | -96.3 | 112 | 179 | -169.2 | 0 | 0 | 0 | 0 | 107.8 | G210 D216 | G210-V212 PolarHBondContact O-N 3.24Å; V212-D216 HydrophobicContact CG1-CB 3.95Å | ||
| 213 | G | 44.5 | Very low | 44.7 | Very low | 44 Ų | 44 | 113.3 Ų | 113.3 | 45% | 0.454 | 63% | 0.631 | S | S | . | * | trans | -50.4 | 146.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114 | A215 D216 | G213-A215 PolarHBondContact O-N 2.9Å; G213-D216 PolarHBondContact O-N 3.25Å | ||
| 214 | E | 55.7 | Low | 45.4 | Very low | 160 Ų | 160 | 113.2 Ų | 113.2 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -50.1 | -27.3 | -173.8 | -155.9 | 172.5 | -169.3 | 0 | 0 | 114.3 | D216 K217 V218 | E214-D216 PolarHBondContact O-N 3.17Å; E214-K217 WeakPolarHBondContact O-CB 3.25Å; E214-K217 PolarHBondContact O-N 2.97Å; E214-V218 PolarHBondContact O-N 3.41Å |
| 215 | A | 50.9 | Low | 46.2 | Very low | 75 Ų | 75 | 114.2 Ų | 114.2 | 62% | 0.62 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.4 | -36.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | G213 R219 | G213-A215 PolarHBondContact O-N 2.9Å; A215-R219 PolarHBondContact O-N 2.86Å |
| 216 | D | 49.2 | Very low | 46.8 | Very low | 78 Ų | 78 | 108.2 Ų | 108.2 | 42% | 0.417 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -76.7 | -27.1 | 179 | -74.3 | -30.4 | 0 | 0 | 0 | 111.8 | V212 G213 E214 V218 R219 A220 | V212-D216 HydrophobicContact CG1-CB 3.95Å; G213-D216 PolarHBondContact O-N 3.25Å; E214-D216 PolarHBondContact O-N 3.17Å; D216-V218 VanDerWaalsContact C-N 3.35Å; D216-R219 PolarHBondContact O-N 3.34Å; D216-R219 IonicContact OD1-NH1 3.59Å; D216-R219 PolarHBondContact OD1-NH1 2.87Å; D216-A220 PolarHBondContact O-N 3.36Å |
| 217 | K | 50.4 | Low | 47.3 | Very low | 133 Ų | 133 | 104 Ų | 104 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.5 | -40.5 | 173.6 | -62.6 | 179.7 | -175.8 | 173.6 | 0 | 111.3 | E214 A220 L221 | E214-K217 WeakPolarHBondContact O-CB 3.25Å; E214-K217 PolarHBondContact O-N 2.97Å; K217-A220 PolarHBondContact O-N 3.31Å; K217-L221 WeakPolarHBondContact O-CG 3.5Å; K217-L221 PolarHBondContact O-N 3.09Å; K217-L221 VanDerWaalsContact O-N 3.12Å |
| 218 | V | 55.2 | Low | 47.5 | Very low | 100 Ų | 100 | 100.4 Ų | 100.4 | 61% | 0.606 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.2 | -40 | 176.7 | 179.8 | 0 | 0 | 0 | 0 | 111 | E214 D216 L221 S222 | E214-V218 PolarHBondContact O-N 3.41Å; D216-V218 VanDerWaalsContact C-N 3.35Å; V218-L221 PolarHBondContact O-N 3.04Å; V218-S222 PolarHBondContact O-N 3.26Å |
| 219 | R | 53.3 | Low | 47.9 | Very low | 169 Ų | 169 | 103.6 Ų | 103.6 | 64% | 0.638 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.6 | -38 | 176.6 | -169.9 | 178.6 | -66.5 | 150.5 | 0.4 | 112.6 | A215 D216 L221 S222 S223 | A215-R219 PolarHBondContact O-N 2.86Å; D216-R219 PolarHBondContact O-N 3.34Å; D216-R219 IonicContact OD1-NH1 3.59Å; D216-R219 PolarHBondContact OD1-NH1 2.87Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-S222 PolarHBondContact O-N 2.93Å; R219-S222 PolarHBondContact O-OG 3.36Å; R219-S223 PolarHBondContact O-N 2.81Å |
| 220 | A | 48.8 | Very low | 48.1 | Very low | 57 Ų | 57 | 97.7 Ų | 97.7 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.2 | -35.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D216 K217 S223 V224 | D216-A220 PolarHBondContact O-N 3.36Å; K217-A220 PolarHBondContact O-N 3.31Å; A220-S223 PolarHBondContact O-OG 3.39Å; A220-V224 WeakPolarHBondContact O-CG2 3.32Å |
| 221 | L | 51.9 | Low | 48.3 | Very low | 122 Ų | 122 | 103.3 Ų | 103.3 | 64% | 0.639 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71 | -34.5 | 175.7 | -73.6 | 169.6 | 0 | 0 | 0 | 112.4 | K217 V218 R219 L225 | K217-L221 WeakPolarHBondContact O-CG 3.5Å; K217-L221 PolarHBondContact O-N 3.09Å; K217-L221 VanDerWaalsContact O-N 3.12Å; V218-L221 PolarHBondContact O-N 3.04Å; R219-L221 VanDerWaalsContact C-N 3.32Å; L221-L225 PolarHBondContact O-N 3.16Å |
| 222 | S | 53.1 | Low | 47.8 | Very low | 55 Ų | 55 | 103 Ų | 103 | 39% | 0.385 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.3 | -39.9 | 177.5 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | V218 R219 V224 L225 D226 | V218-S222 PolarHBondContact O-N 3.26Å; R219-S222 PolarHBondContact O-N 2.93Å; R219-S222 PolarHBondContact O-OG 3.36Å; S222-V224 VanDerWaalsContact C-N 3.31Å; S222-V224 PolarHBondContact O-N 2.91Å; S222-L225 PolarHBondContact O-N 3.31Å; S222-L225 VanDerWaalsContact O-N 3.15Å; S222-D226 PolarHBondContact O-N 3.28Å |
| 223 | S | 50.3 | Low | 47.4 | Very low | 59 Ų | 59 | 106.7 Ų | 106.7 | 41% | 0.413 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.3 | -35.7 | -180 | 74.7 | 0 | 0 | 0 | 0 | 112.7 | R219 A220 L225 D226 D227 | R219-S223 PolarHBondContact O-N 2.81Å; A220-S223 PolarHBondContact O-OG 3.39Å; S223-L225 VanDerWaalsContact C-N 3.29Å; S223-L225 PolarHBondContact O-N 2.86Å; S223-D226 PolarHBondContact O-N 2.93Å; S223-D227 PolarHBondContact O-N 3.42Å |
| 224 | V | 50.7 | Low | 47 | Very low | 96 Ų | 96 | 108 Ų | 108 | 58% | 0.582 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.3 | -33.3 | 176.8 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | A220 S222 A228 | A220-V224 WeakPolarHBondContact O-CG2 3.32Å; S222-V224 VanDerWaalsContact C-N 3.31Å; S222-V224 PolarHBondContact O-N 2.91Å; V224-A228 PolarHBondContact O-N 3.3Å |
| 225 | L | 50.6 | Low | 45.8 | Very low | 117 Ų | 117 | 105 Ų | 105 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -75.3 | -37.5 | 176.7 | -69 | 173.3 | 0 | 0 | 0 | 112.2 | L221 S222 S223 A228 L229 | L221-L225 PolarHBondContact O-N 3.16Å; S222-L225 PolarHBondContact O-N 3.31Å; S222-L225 VanDerWaalsContact O-N 3.15Å; S223-L225 VanDerWaalsContact C-N 3.29Å; S223-L225 PolarHBondContact O-N 2.86Å; L225-A228 PolarHBondContact O-N 3.4Å; L225-L229 PolarHBondContact O-N 3.08Å |
| 226 | D | 45.7 | Very low | 45.3 | Very low | 110 Ų | 110 | 109.5 Ų | 109.5 | 59% | 0.588 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.6 | -41 | 176.6 | -79.8 | -28.5 | 0 | 0 | 0 | 111.8 | S222 S223 A228 L229 G230 | S222-D226 PolarHBondContact O-N 3.28Å; S223-D226 PolarHBondContact O-N 2.93Å; D226-A228 VanDerWaalsContact C-N 3.3Å; D226-A228 PolarHBondContact O-N 2.82Å; D226-L229 PolarHBondContact O-N 2.84Å; D226-G230 PolarHBondContact O-N 3.34Å; D226-G230 VanDerWaalsContact O-N 3.17Å |
| 227 | D | 46.5 | Very low | 44.4 | Very low | 125 Ų | 125 | 111 Ų | 111 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64 | -34.7 | 175.2 | -79.4 | -16.7 | 0 | 0 | 0 | 112.3 | S223 L229 G230 | S223-D227 PolarHBondContact O-N 3.42Å; D227-L229 VanDerWaalsContact C-N 3.29Å; D227-L229 PolarHBondContact O-N 2.86Å; D227-G230 PolarHBondContact O-N 2.97Å |
| 228 | A | 42.9 | Very low | 43.8 | Very low | 69 Ų | 69 | 110.1 Ų | 110.1 | 57% | 0.57 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.3 | -27 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V224 L225 D226 | V224-A228 PolarHBondContact O-N 3.3Å; L225-A228 PolarHBondContact O-N 3.4Å; D226-A228 VanDerWaalsContact C-N 3.3Å; D226-A228 PolarHBondContact O-N 2.82Å |
| 229 | L | 43.9 | Very low | 42.7 | Very low | 129 Ų | 129 | 111.6 Ų | 111.6 | 68% | 0.675 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -83.2 | -29.7 | 178.1 | -79.9 | 161.2 | 0 | 0 | 0 | 112.7 | L225 D226 D227 M231 Y232 | L225-L229 PolarHBondContact O-N 3.08Å; D226-L229 PolarHBondContact O-N 2.84Å; D227-L229 VanDerWaalsContact C-N 3.29Å; D227-L229 PolarHBondContact O-N 2.86Å; L229-M231 PolarHBondContact O-N 3.22Å; L229-Y232 PolarHBondContact O-N 2.8Å |
| 230 | G | 39.4 | Very low | 41.9 | Very low | 61 Ų | 61 | 109.5 Ų | 109.5 | 63% | 0.629 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64.4 | -19.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D226 D227 Y232 | D226-G230 PolarHBondContact O-N 3.34Å; D226-G230 VanDerWaalsContact O-N 3.17Å; D227-G230 PolarHBondContact O-N 2.97Å; G230-Y232 VanDerWaalsContact C-N 3.27Å; G230-Y232 PolarHBondContact O-N 2.83Å |
| 231 | M | 41.4 | Very low | 41.1 | Very low | 160 Ų | 160 | 111.4 Ų | 111.4 | 79% | 0.788 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 11.3 | -177.8 | -70.5 | -91.1 | 64.5 | 0 | 0 | 114.9 | L229 | L229-M231 PolarHBondContact O-N 3.22Š|
| 232 | Y | 33.2 | Very low | 40.2 | Very low | 171 Ų | 171 | 112.4 Ų | 112.4 | 67% | 0.671 | 68% | 0.678 | S | S | * | * | trans | -112 | 59.2 | 180 | -122 | -94.5 | 0 | 0 | 0 | 113.1 | L229 G230 G234 R293 | L229-Y232 PolarHBondContact O-N 2.8Å; G230-Y232 VanDerWaalsContact C-N 3.27Å; G230-Y232 PolarHBondContact O-N 2.83Å; Y232-G234 PolarHBondContact O-N 2.78Å; Y232-R293 PolarHBondContact OH-NH2 3.12Å | ||
| 233 | D | 38.8 | Very low | 39.4 | Very low | 150 Ų | 150 | 117 Ų | 117 | 80% | 0.802 | 70% | 0.698 | S | S | * | * | trans | -80 | 113.9 | 167.6 | -168.6 | 4.8 | 0 | 0 | 0 | 110.5 | S235 | D233-S235 PolarHBondContact O-N 3.05Š| ||
| 234 | G | 34.9 | Very low | 38.6 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | trans | -77.9 | 37.2 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y232 L236 | Y232-G234 PolarHBondContact O-N 2.78Å; G234-L236 PolarHBondContact O-N 3.11Å | ||
| 235 | S | 31.8 | Very low | 38 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | trans | -91.5 | 75.8 | 178.9 | 170.4 | 0 | 0 | 0 | 0 | 112.5 | D233 | D233-S235 PolarHBondContact O-N 3.05Š| ||
| 236 | L | 39.7 | Very low | 37.6 | Very low | 169 Ų | 169 | 122.8 Ų | 122.8 | 89% | 0.885 | 73% | 0.725 | S | S | * | * | trans | -138.8 | 87.5 | 160.9 | -72.7 | 176.5 | 0 | 0 | 0 | 110.3 | G234 | G234-L236 PolarHBondContact O-N 3.11Š| ||
| 237 | S | 30 | Very low | 37.4 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | -52.9 | 129.7 | 169.8 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | V239 | S237-V239 PolarHBondContact O-N 3.43Š| ||
| 238 | P | 37 | Very low | 37.3 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | trans | -76.8 | 113.9 | -171.1 | 28.9 | -32.4 | 0 | 0 | 0 | 111.4 | P240 | P238-P240 VanDerWaalsContact O-CD 3.28Å; P238-P240 WeakPolarHBondContact O-CD 3.38Å | ||
| 239 | V | 33.3 | Very low | 37.5 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | trans | -61.8 | 116.6 | 171.4 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | S237 | S237-V239 PolarHBondContact O-N 3.43Š| ||
| 240 | P | 36.1 | Very low | 37.5 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | trans | -93.7 | 104.5 | 178.1 | 32.3 | -23.5 | 0 | 0 | 0 | 109.7 | P238 | P238-P240 VanDerWaalsContact O-CD 3.28Å; P238-P240 WeakPolarHBondContact O-CD 3.38Å | ||
| 241 | S | 31.6 | Very low | 38.1 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | -160 | 153.9 | 157.1 | 63.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 242 | L | 33 | Very low | 38.5 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | 88 | 71.1 | 172.2 | -76 | 132.5 | 0 | 0 | 0 | 119.3 | K244 | L242-K244 PolarHBondContact O-N 3.39Š| ||
| 243 | N | 35.8 | Very low | 39 | Very low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | 43.4 | 66.1 | 112.7 | -72 | -20.3 | 0 | 0 | 0 | 118.5 | |||||
| 244 | K | 35.2 | Very low | 39.6 | Very low | 203 Ų | 203 | 129.3 Ų | 129.3 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | trans | -142.1 | 57.5 | 151.3 | -70 | -172.4 | -178.6 | 170.7 | 0 | 111.3 | L242 | L242-K244 PolarHBondContact O-N 3.39Š| ||
| 245 | T | 37.3 | Very low | 40.4 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 44% | 0.436 | 70% | 0.704 | S | S | . | * | trans | -126.4 | 26.7 | 177.8 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | G247 F249 | T245-G247 PolarHBondContact O-N 3.03Å; T245-F249 HydrophobicContact CG2-CE2 4.36Å; T245-F249 WeakPolarHBondContact O-CD2 3.46Å | ||
| 246 | S | 41.6 | Very low | 40.8 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -17.2 | 172 | -170.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 247 | G | 41.4 | Very low | 41.1 | Very low | 61 Ų | 61 | 131.7 Ų | 131.7 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -34.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T245 | T245-G247 PolarHBondContact O-N 3.03Š|
| 248 | R | 46.1 | Very low | 42.3 | Very low | 213 Ų | 213 | 130.6 Ų | 130.6 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -81.6 | -34.4 | -176.4 | -86.2 | -173.4 | -177.4 | 161.5 | 1.7 | 113.2 | R250 R251 Q252 | R248-R250 VanDerWaalsContact C-N 3.29Å; R248-R250 PolarHBondContact O-N 3.11Å; R248-R251 PolarHBondContact O-N 2.71Å; R248-Q252 PolarHBondContact O-N 3.3Å |
| 249 | F | 45.7 | Very low | 43 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 47% | 0.469 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -69 | -24.7 | -179.4 | -85.7 | -74.3 | 0 | 0 | 0 | 113.8 | T245 R251 Q252 K253 | T245-F249 HydrophobicContact CG2-CE2 4.36Å; T245-F249 WeakPolarHBondContact O-CD2 3.46Å; F249-R251 VanDerWaalsContact C-N 3.3Å; F249-R251 PolarHBondContact O-N 2.91Å; F249-Q252 PolarHBondContact O-N 3.09Å; F249-K253 WeakPolarHBondContact O-CB 3.09Å; F249-K253 WeakPolarHBondContact O-CG 3.45Å; F249-K253 PolarHBondContact O-N 3.38Å |
| 250 | R | 44.7 | Very low | 44 | Very low | 210 Ų | 210 | 127.4 Ų | 127.4 | 79% | 0.792 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.1 | -35.3 | 178.5 | -154.3 | 177.5 | -174.8 | -178.5 | 2.5 | 112 | R248 S254 | R248-R250 VanDerWaalsContact C-N 3.29Å; R248-R250 PolarHBondContact O-N 3.11Å; R250-S254 PolarHBondContact O-N 3.07Å; R250-S254 PolarHBondContact O-OG 3.28Å |
| 251 | R | 50.7 | Low | 44.4 | Very low | 204 Ų | 204 | 124.7 Ų | 124.7 | 77% | 0.77 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -75.6 | -34.4 | 176.9 | -73.2 | -174.2 | 172.7 | -129.3 | -1.4 | 112.8 | R248 F249 S254 F255 | R248-R251 PolarHBondContact O-N 2.71Å; F249-R251 VanDerWaalsContact C-N 3.3Å; F249-R251 PolarHBondContact O-N 2.91Å; R251-S254 WeakPolarHBondContact CA-OG 3.46Å; R251-S254 PolarHBondContact O-OG 3.09Å; R251-F255 VanDerWaalsContact O-CB 3.29Å; R251-F255 WeakPolarHBondContact O-CB 3.23Å; R251-F255 PolarHBondContact O-N 3.29Å |
| 252 | Q | 49.9 | Very low | 44.7 | Very low | 110 Ų | 110 | 123.1 Ų | 123.1 | 51% | 0.514 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -71.9 | -37.9 | 177.9 | -144.6 | 172.5 | 2.3 | 0 | 0 | 111.2 | R248 F249 F255 L256 | R248-Q252 PolarHBondContact O-N 3.3Å; F249-Q252 PolarHBondContact O-N 3.09Å; Q252-F255 PolarHBondContact O-N 3.05Å; Q252-L256 HydrophobicContact CG-CD1 4.38Å; Q252-L256 WeakPolarHBondContact O-CB 3.46Å; Q252-L256 PolarHBondContact O-N 3.46Å |
| 253 | K | 43.8 | Very low | 45.6 | Very low | 133 Ų | 133 | 119.5 Ų | 119.5 | 58% | 0.578 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.6 | -42.8 | 173.1 | -73 | -177.2 | 180 | -170.9 | 0 | 112.6 | F249 R257 | F249-K253 WeakPolarHBondContact O-CB 3.09Å; F249-K253 WeakPolarHBondContact O-CG 3.45Å; F249-K253 PolarHBondContact O-N 3.38Å; K253-R257 VanDerWaalsContact O-CB 3.26Å; K253-R257 WeakPolarHBondContact O-CB 3.49Å; K253-R257 PolarHBondContact O-N 3.35Å; K253-R257 VanDerWaalsContact O-N 3.09Å |
| 254 | S | 52.9 | Low | 46 | Very low | 74 Ų | 74 | 119.2 Ų | 119.2 | 52% | 0.517 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.8 | -36.2 | 175.4 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | R250 R251 A258 | R250-S254 PolarHBondContact O-N 3.07Å; R250-S254 PolarHBondContact O-OG 3.28Å; R251-S254 WeakPolarHBondContact CA-OG 3.46Å; R251-S254 PolarHBondContact O-OG 3.09Å; S254-A258 WeakPolarHBondContact O-CB 3.45Å; S254-A258 PolarHBondContact O-N 3.11Å |
| 255 | F | 50.5 | Low | 46.2 | Very low | 144 Ų | 144 | 112.8 Ų | 112.8 | 63% | 0.632 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.5 | -46.3 | -179.3 | -164.2 | -94.5 | 0 | 0 | 0 | 111.8 | R251 Q252 R257 A258 V259 | R251-F255 VanDerWaalsContact O-CB 3.29Å; R251-F255 WeakPolarHBondContact O-CB 3.23Å; R251-F255 PolarHBondContact O-N 3.29Å; Q252-F255 PolarHBondContact O-N 3.05Å; F255-R257 PolarHBondContact O-N 3.14Å; F255-A258 WeakPolarHBondContact O-CB 3.44Å; F255-A258 PolarHBondContact O-N 3.18Å; F255-A258 VanDerWaalsContact O-N 3.14Å; F255-V259 HydrophobicContact CD1-CG2 4Å; F255-V259 HydrophobicContact CE1-CG2 3.76Å; F255-V259 HydrophobicContact CZ-CG2 4.28Å; F255-V259 VanDerWaalsContact O-CG2 3.31Å; F255-V259 WeakPolarHBondContact O-CG2 3.13Å; F255-V259 PolarHBondContact O-N 3.05Å |
| 256 | L | 40.2 | Very low | 46.4 | Very low | 78 Ų | 78 | 118.2 Ų | 118.2 | 41% | 0.408 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.7 | -37.3 | 176.3 | -97.3 | 147.1 | 0 | 0 | 0 | 112.3 | Q252 A258 V259 T260 | Q252-L256 HydrophobicContact CG-CD1 4.38Å; Q252-L256 WeakPolarHBondContact O-CB 3.46Å; Q252-L256 PolarHBondContact O-N 3.46Å; L256-A258 VanDerWaalsContact C-N 3.3Å; L256-A258 PolarHBondContact O-N 2.95Å; L256-V259 PolarHBondContact O-N 3.11Å; L256-T260 HydrophobicContact CD2-CG2 4.33Å; L256-T260 PolarHBondContact O-N 2.73Å; L256-T260 PolarHBondContact O-OG1 2.68Å |
| 257 | R | 46.5 | Very low | 46.1 | Very low | 167 Ų | 167 | 115.3 Ų | 115.3 | 63% | 0.63 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.3 | -37.8 | 171.9 | -177 | -179.5 | -101.5 | -140.8 | -1.9 | 111.8 | K253 F255 G261 | K253-R257 VanDerWaalsContact O-CB 3.26Å; K253-R257 WeakPolarHBondContact O-CB 3.49Å; K253-R257 PolarHBondContact O-N 3.35Å; K253-R257 VanDerWaalsContact O-N 3.09Å; F255-R257 PolarHBondContact O-N 3.14Å; R257-G261 WeakPolarHBondContact O-CA 3.48Å; R257-G261 PolarHBondContact O-N 2.78Å |
| 258 | A | 54.4 | Low | 45.6 | Very low | 86 Ų | 86 | 120.9 Ų | 120.9 | 71% | 0.711 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.1 | -32.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S254 F255 L256 | S254-A258 WeakPolarHBondContact O-CB 3.45Å; S254-A258 PolarHBondContact O-N 3.11Å; F255-A258 WeakPolarHBondContact O-CB 3.44Å; F255-A258 PolarHBondContact O-N 3.18Å; F255-A258 VanDerWaalsContact O-N 3.14Å; L256-A258 VanDerWaalsContact C-N 3.3Å; L256-A258 PolarHBondContact O-N 2.95Å |
| 259 | V | 52.2 | Low | 45.1 | Very low | 99 Ų | 99 | 119 Ų | 119 | 60% | 0.6 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -84.8 | -36.1 | -177.6 | 174.1 | 0 | 0 | 0 | 0 | 112.7 | F255 L256 | F255-V259 HydrophobicContact CD1-CG2 4Å; F255-V259 HydrophobicContact CE1-CG2 3.76Å; F255-V259 HydrophobicContact CZ-CG2 4.28Å; F255-V259 VanDerWaalsContact O-CG2 3.31Å; F255-V259 WeakPolarHBondContact O-CG2 3.13Å; F255-V259 PolarHBondContact O-N 3.05Å; L256-V259 PolarHBondContact O-N 3.11Å |
| 260 | T | 54.9 | Low | 44.5 | Very low | 78 Ų | 78 | 120.9 Ų | 120.9 | 48% | 0.479 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -110.5 | -11.3 | -172.1 | 56.7 | 0 | 0 | 0 | 0 | 114.5 | L256 S262 | L256-T260 HydrophobicContact CD2-CG2 4.33Å; L256-T260 PolarHBondContact O-N 2.73Å; L256-T260 PolarHBondContact O-OG1 2.68Å; T260-S262 PolarHBondContact O-N 2.88Å |
| 261 | G | 44.4 | Very low | 43.9 | Very low | 69 Ų | 69 | 117.8 Ų | 117.8 | 71% | 0.711 | 64% | 0.637 | S | S | * | * | trans | 63.8 | -7.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | R257 | R257-G261 WeakPolarHBondContact O-CA 3.48Å; R257-G261 PolarHBondContact O-N 2.78Å | ||
| 262 | S | 38 | Very low | 43 | Very low | 63 Ų | 63 | 113.2 Ų | 113.2 | 44% | 0.441 | 64% | 0.636 | S | S | . | * | trans | -99.8 | 126.8 | -175.9 | 80.6 | 0 | 0 | 0 | 0 | 111.7 | T260 N264 | T260-S262 PolarHBondContact O-N 2.88Å; S262-N264 VanDerWaalsContact C-N 3.28Å | ||
| 263 | A | 51.7 | Low | 42.1 | Very low | 67 Ų | 67 | 114.2 Ų | 114.2 | 55% | 0.554 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -17.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 264 | N | 43.6 | Very low | 41.4 | Very low | 146 Ų | 146 | 114.9 Ų | 114.9 | 78% | 0.781 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 12 | -167.2 | -64.8 | -4.9 | 0 | 0 | 0 | 113.8 | S262 Y266 | S262-N264 VanDerWaalsContact C-N 3.28Å; N264-Y266 PolarHBondContact O-N 3.49Å |
| 265 | A | 38.9 | Very low | 40.1 | Very low | 68 Ų | 68 | 119.3 Ų | 119.3 | 56% | 0.562 | 67% | 0.667 | S | S | * | * | trans | -71.2 | 7.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 266 | Y | 42.7 | Very low | 38.9 | Very low | 184 Ų | 184 | 122.6 Ų | 122.6 | 72% | 0.722 | 68% | 0.676 | S | S | * | * | trans | -113.7 | 84.6 | 168.2 | -71.4 | -86.5 | 0 | 0 | 0 | 108.8 | N264 | N264-Y266 PolarHBondContact O-N 3.49Š| ||
| 267 | G | 33.8 | Very low | 38.2 | Very low | 61 Ų | 61 | 124.4 Ų | 124.4 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | trans | -62.4 | 138 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110 | L269 | G267-L269 PolarHBondContact O-N 3.08Å; G267-L269 VanDerWaalsContact O-N 3.11Å | ||
| 268 | K | 31.7 | Very low | 37.3 | Very low | 177 Ų | 177 | 123.9 Ų | 123.9 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | trans | -24.9 | 104.1 | 174.7 | -70.1 | 176.4 | 167.1 | -163.3 | 0 | 113.9 | E270 | K268-E270 HydrophobicContact CB-CG 4.27Å; K268-E270 IonicContact NZ-OE1 3.51Å | ||
| 269 | L | 36.7 | Very low | 35.7 | Very low | 175 Ų | 175 | 125.6 Ų | 125.6 | 92% | 0.916 | 70% | 0.704 | S | S | * | * | trans | -93.1 | 95.9 | 151 | -114.6 | 104.1 | 0 | 0 | 0 | 105.8 | G267 | G267-L269 PolarHBondContact O-N 3.08Å; G267-L269 VanDerWaalsContact O-N 3.11Å | ||
| 270 | E | 32.1 | Very low | 34.4 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | trans | -66.1 | 137.1 | 174.1 | -66.7 | -172.6 | 167 | 0 | 0 | 109.6 | K268 S272 | K268-E270 HydrophobicContact CB-CG 4.27Å; K268-E270 IonicContact NZ-OE1 3.51Å; E270-S272 PolarHBondContact O-N 2.94Å; E270-S272 VanDerWaalsContact O-N 3.09Å | ||
| 271 | N | 31.7 | Very low | 32.9 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | trans | -57 | 103.4 | 175.2 | -88.3 | -26.5 | 0 | 0 | 0 | 110.6 | ||||
| 272 | S | 32.3 | Very low | 32 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -94.6 | 81.4 | 154.6 | 48.2 | 0 | 0 | 0 | 0 | 108.9 | E270 D274 | E270-S272 PolarHBondContact O-N 2.94Å; E270-S272 VanDerWaalsContact O-N 3.09Å; S272-D274 VanDerWaalsContact C-N 3.34Å; S272-D274 PolarHBondContact O-N 3.07Å | ||
| 273 | N | 31.7 | Very low | 31.5 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -82.2 | 82.5 | 163.8 | -79.4 | -43.5 | 0 | 0 | 0 | 108.1 | ||||
| 274 | D | 29.5 | Very low | 30.2 | Very low | 146 Ų | 146 | 146 Ų | 146 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | -119.9 | 99.2 | 168.7 | -78.6 | -41.8 | 0 | 0 | 0 | 110.9 | S272 | S272-D274 VanDerWaalsContact C-N 3.34Å; S272-D274 PolarHBondContact O-N 3.07Å | ||
| 275 | H | 25.5 | Very low | 29.4 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | trans | 14.5 | 117.8 | 148 | -69.6 | -78.9 | 0 | 0 | 0 | 119.6 | ||||
| 276 | R | 25.1 | Very low | 28.7 | Very low | 213 Ų | 213 | 149.3 Ų | 149.3 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | -155.1 | 104.7 | 128.3 | -128 | 175.7 | -167.2 | -173.2 | 3.5 | 111.8 | F278 | R276-F278 HydrophobicContact CB-CD2 4.32Å; R276-F278 HydrophobicContact CB-CE2 3.93Å; R276-F278 HydrophobicContact CG-CE2 4.07Å; R276-F278 HydrophobicContact CG-CZ 4.48Å; R276-F278 PolarHBondContact O-N 3.35Å | |||
| 277 | S | 25.2 | Very low | 27.9 | Very low | 115 Ų | 115 | 151.7 Ų | 151.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -62.7 | 114.5 | 170.8 | -44.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 278 | F | 26.7 | Very low | 27.5 | Very low | 156 Ų | 156 | 157.4 Ų | 157.4 | 68% | 0.684 | 79% | 0.792 | S | S | * | * | trans | -112.4 | 118.3 | 166.3 | -78.3 | -77.3 | 0 | 0 | 0 | 109.3 | R276 | R276-F278 HydrophobicContact CB-CD2 4.32Å; R276-F278 HydrophobicContact CB-CE2 3.93Å; R276-F278 HydrophobicContact CG-CE2 4.07Å; R276-F278 HydrophobicContact CG-CZ 4.48Å; R276-F278 PolarHBondContact O-N 3.35Å | ||
| 279 | S | 21.4 | Very low | 27.4 | Very low | 122 Ų | 122 | 155.2 Ų | 155.2 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -65.9 | 126.2 | 178.3 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | A281 | S279-A281 PolarHBondContact O-N 3.47Š| ||
| 280 | F | 25.5 | Very low | 26.9 | Very low | 198 Ų | 198 | 155 Ų | 155 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -78.4 | 115.5 | 177.3 | -87.5 | -99 | 0 | 0 | 0 | 111.1 | ||||
| 281 | A | 23 | Very low | 26.6 | Very low | 79 Ų | 79 | 153.1 Ų | 153.1 | 65% | 0.653 | 79% | 0.79 | S | S | * | * | trans | -86.6 | 128.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | S279 L283 | S279-A281 PolarHBondContact O-N 3.47Å; A281-L283 PolarHBondContact O-N 3.42Å; A281-L283 VanDerWaalsContact O-N 3.08Å | ||
| 282 | P | 25.4 | Very low | 26.6 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -83 | 90.3 | -171.5 | 31.8 | -31.8 | 0 | 0 | 0 | 110.8 | R284 | P282-R284 PolarHBondContact O-N 3.43Š| ||
| 283 | L | 27.3 | Very low | 26.4 | Very low | 159 Ų | 159 | 154.6 Ų | 154.6 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -89.7 | 106.6 | 170.3 | -75.8 | 170.3 | 0 | 0 | 0 | 110.7 | A281 F285 | A281-L283 PolarHBondContact O-N 3.42Å; A281-L283 VanDerWaalsContact O-N 3.08Å; L283-F285 PolarHBondContact O-N 3.14Å | ||
| 284 | R | 25.6 | Very low | 26.3 | Very low | 240 Ų | 240 | 157.6 Ų | 157.6 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | 1.6 | 107.4 | 159.7 | -63.9 | -175.2 | 173.3 | 168.8 | -1.4 | 115.3 | P282 A286 | P282-R284 PolarHBondContact O-N 3.43Å; R284-A286 VanDerWaalsContact C-N 3.25Å; R284-A286 PolarHBondContact O-N 3.43Å | ||
| 285 | F | 25.4 | Very low | 26.6 | Very low | 202 Ų | 202 | 155.5 Ų | 155.5 | 89% | 0.886 | 78% | 0.778 | S | S | * | * | trans | -64.9 | 81.5 | 166.8 | -73.9 | -87 | 0 | 0 | 0 | 110.8 | L283 R287 | L283-F285 PolarHBondContact O-N 3.14Å; F285-R287 PolarHBondContact O-N 2.98Å | ||
| 286 | A | 25.5 | Very low | 26.9 | Very low | 82 Ų | 82 | 154.5 Ų | 154.5 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -63 | 105.1 | 153 | 0 | 0 | 0 | 0 | 0 | 106.1 | R284 F288 | R284-A286 VanDerWaalsContact C-N 3.25Å; R284-A286 PolarHBondContact O-N 3.43Å; A286-F288 VanDerWaalsContact C-N 3.29Å; A286-F288 PolarHBondContact O-N 2.65Å | ||
| 287 | R | 25.5 | Very low | 27.3 | Very low | 233 Ų | 233 | 148.9 Ų | 148.9 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -60.8 | 92.8 | 178.6 | -77.2 | 179.2 | 176.9 | 156.1 | -0.1 | 108.7 | F285 V289 | F285-R287 PolarHBondContact O-N 2.98Å; R287-V289 VanDerWaalsContact C-N 3.3Å; R287-V289 PolarHBondContact O-N 2.87Å | ||
| 288 | F | 25.5 | Very low | 27.9 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | -59.8 | 100.1 | 158.9 | -101.8 | -94.3 | 0 | 0 | 0 | 107 | A286 H290 | A286-F288 VanDerWaalsContact C-N 3.29Å; A286-F288 PolarHBondContact O-N 2.65Å; F288-H290 VanDerWaalsContact C-N 3.25Å; F288-H290 PolarHBondContact O-N 3.04Å | ||
| 289 | V | 28.6 | Very low | 28.3 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | -61.4 | 99.1 | 162.7 | 174.8 | 0 | 0 | 0 | 0 | 105 | R287 S291 | R287-V289 VanDerWaalsContact C-N 3.3Å; R287-V289 PolarHBondContact O-N 2.87Å; V289-S291 PolarHBondContact O-N 2.78Å | ||
| 290 | H | 26.4 | Very low | 29.1 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | trans | -57.3 | 91.3 | 169.2 | -80.3 | -69.1 | 0 | 0 | 0 | 108.3 | F288 S292 | F288-H290 VanDerWaalsContact C-N 3.25Å; F288-H290 PolarHBondContact O-N 3.04Å; H290-S292 PolarHBondContact O-N 3.3Å | ||
| 291 | S | 26.8 | Very low | 29.6 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | -53.3 | 99.8 | 150.3 | 170.6 | 0 | 0 | 0 | 0 | 105.4 | V289 R293 | V289-S291 PolarHBondContact O-N 2.78Å; S291-R293 VanDerWaalsContact C-N 3.27Å; S291-R293 PolarHBondContact O-N 2.88Å | ||
| 292 | S | 30.6 | Very low | 30.4 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | trans | -64 | 98.5 | 175 | 69.4 | 0 | 0 | 0 | 0 | 106.4 | H290 R294 | H290-S292 PolarHBondContact O-N 3.3Å; S292-R294 PolarHBondContact O-N 2.9Å | ||
| 293 | R | 28.2 | Very low | 30.9 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 73% | 0.732 | 71% | 0.709 | S | S | * | * | trans | -48.7 | 94.6 | 157.7 | -75.1 | -177 | -179.3 | 175.5 | 8.9 | 107.3 | Y232 S291 | Y232-R293 PolarHBondContact OH-NH2 3.12Å; S291-R293 VanDerWaalsContact C-N 3.27Å; S291-R293 PolarHBondContact O-N 2.88Å | ||
| 294 | R | 30.3 | Very low | 31.7 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 73% | 0.732 | 69% | 0.693 | S | S | * | * | trans | -92.5 | 129.7 | 154.1 | -73.7 | -169.5 | 176 | -166.2 | -1.3 | 105.1 | S292 | S292-R294 PolarHBondContact O-N 2.9Š| ||
| 295 | P | 34.4 | Very low | 32.4 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | trans | -61.5 | 148.9 | -173.8 | 28.3 | -33.5 | 0 | 0 | 0 | 109.1 | C297 | P295-C297 PolarHBondContact O-N 3.48Š| ||
| 296 | N | 33.5 | Very low | 33.1 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 78% | 0.781 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -57.2 | 23.5 | -173.4 | -76.9 | -29.5 | 0 | 0 | 0 | 116.6 | L298 | N296-L298 VanDerWaalsContact C-N 3.28Å; N296-L298 PolarHBondContact O-N 3.29Å |
| 297 | C | 33.5 | Very low | 33.9 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 64% | 0.642 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 1.3 | 178.2 | -52.5 | 0 | 0 | 0 | 0 | 114.1 | P295 | P295-C297 PolarHBondContact O-N 3.48Š|
| 298 | L | 36.4 | Very low | 34.6 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 58% | 0.576 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -15.8 | 178.1 | -82.5 | 168.6 | 0 | 0 | 0 | 115 | N296 N301 Q302 | N296-L298 VanDerWaalsContact C-N 3.28Å; N296-L298 PolarHBondContact O-N 3.29Å; L298-N301 PolarHBondContact O-N 2.87Å; L298-Q302 PolarHBondContact O-N 3.32Å |
| 299 | L | 36.1 | Very low | 35.4 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 57% | 0.565 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.9 | -33.8 | 175.5 | -103.6 | 149.3 | 0 | 0 | 0 | 111.8 | N301 Q302 | L299-N301 VanDerWaalsContact C-N 3.3Å; L299-N301 PolarHBondContact O-N 2.86Å; L299-Q302 PolarHBondContact O-N 3.48Å |
| 300 | A | 38.4 | Very low | 35.8 | Very low | 64 Ų | 64 | 120 Ų | 120 | 53% | 0.529 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.1 | -35.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I304 | A300-I304 WeakPolarHBondContact O-CD1 3.35Å; A300-I304 VanDerWaalsContact O-CG1 3.29Å; A300-I304 WeakPolarHBondContact O-CG1 3.46Å; A300-I304 PolarHBondContact O-N 3.2Å |
| 301 | N | 36 | Very low | 36.5 | Very low | 92 Ų | 92 | 115.2 Ų | 115.2 | 49% | 0.492 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -79.3 | -20.7 | -178.8 | -93.7 | -39.7 | 0 | 0 | 0 | 114.3 | L298 L299 L305 | L298-N301 PolarHBondContact O-N 2.87Å; L299-N301 VanDerWaalsContact C-N 3.3Å; L299-N301 PolarHBondContact O-N 2.86Å; N301-L305 WeakPolarHBondContact O-CB 3.25Å; N301-L305 PolarHBondContact O-N 2.87Å; N301-L305 VanDerWaalsContact O-N 3.11Å |
| 302 | Q | 39.8 | Very low | 37 | Very low | 133 Ų | 133 | 112.3 Ų | 112.3 | 62% | 0.621 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -74.2 | -37.4 | 173.9 | -74.6 | -172 | -17 | 0 | 0 | 111.9 | L298 L299 L305 F306 | L298-Q302 PolarHBondContact O-N 3.32Å; L299-Q302 PolarHBondContact O-N 3.48Å; Q302-L305 PolarHBondContact O-N 2.79Å; Q302-F306 PolarHBondContact O-N 3.41Å; Q302-F306 VanDerWaalsContact O-N 3.1Å |
| 303 | H | 35.7 | Very low | 37.7 | Very low | 135 Ų | 135 | 113.1 Ų | 113.1 | 63% | 0.625 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.6 | -38 | 173.2 | -87.6 | -80.3 | 0 | 0 | 0 | 112.5 | L305 F306 L307 | H303-L305 VanDerWaalsContact C-N 3.32Å; H303-L305 PolarHBondContact O-N 3.41Å; H303-F306 PolarHBondContact O-N 3.24Å; H303-L307 WeakPolarHBondContact O-CG 3.23Å; H303-L307 PolarHBondContact O-N 2.86Å |
| 304 | I | 43.6 | Very low | 38 | Very low | 96 Ų | 96 | 112.9 Ų | 112.9 | 49% | 0.492 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.5 | -38.7 | 175.4 | -65.4 | 166.2 | 0 | 0 | 0 | 110.9 | A300 L307 F308 | A300-I304 WeakPolarHBondContact O-CD1 3.35Å; A300-I304 VanDerWaalsContact O-CG1 3.29Å; A300-I304 WeakPolarHBondContact O-CG1 3.46Å; A300-I304 PolarHBondContact O-N 3.2Å; I304-L307 PolarHBondContact O-N 3.21Å; I304-F308 WeakPolarHBondContact O-CB 3.38Å; I304-F308 PolarHBondContact O-N 3.49Å |
| 305 | L | 41 | Very low | 38.2 | Very low | 119 Ų | 119 | 109.5 Ų | 109.5 | 62% | 0.623 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.7 | -33.5 | -179.4 | -147.1 | 117.6 | 0 | 0 | 0 | 112.7 | N301 Q302 H303 F308 V309 | N301-L305 WeakPolarHBondContact O-CB 3.25Å; N301-L305 PolarHBondContact O-N 2.87Å; N301-L305 VanDerWaalsContact O-N 3.11Å; Q302-L305 PolarHBondContact O-N 2.79Å; H303-L305 VanDerWaalsContact C-N 3.32Å; H303-L305 PolarHBondContact O-N 3.41Å; L305-F308 PolarHBondContact O-N 3.11Å; L305-V309 WeakPolarHBondContact O-CG2 3.31Å; L305-V309 PolarHBondContact O-N 3.26Å |
| 306 | F | 39.8 | Very low | 38.4 | Very low | 172 Ų | 172 | 112 Ų | 112 | 75% | 0.754 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.4 | -38.3 | 172.4 | -102.8 | -84 | 0 | 0 | 0 | 112.3 | Q302 H303 F308 G310 | Q302-F306 PolarHBondContact O-N 3.41Å; Q302-F306 VanDerWaalsContact O-N 3.1Å; H303-F306 PolarHBondContact O-N 3.24Å; F306-F308 VanDerWaalsContact C-N 3.33Å; F306-G310 PolarHBondContact O-N 2.81Å |
| 307 | L | 42.3 | Very low | 38.7 | Very low | 117 Ų | 117 | 109.8 Ų | 109.8 | 61% | 0.613 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.8 | -39.5 | 171.3 | -76.6 | 164.9 | 0 | 0 | 0 | 111.4 | H303 I304 V309 G310 S311 | H303-L307 WeakPolarHBondContact O-CG 3.23Å; H303-L307 PolarHBondContact O-N 2.86Å; I304-L307 PolarHBondContact O-N 3.21Å; L307-V309 PolarHBondContact O-N 3.44Å; L307-G310 PolarHBondContact O-N 3.34Å; L307-S311 WeakPolarHBondContact O-CB 3.36Å; L307-S311 PolarHBondContact O-N 2.71Å; L307-S311 PolarHBondContact O-OG 2.92Å; L307-S311 VanDerWaalsContact O-OG 3.09Å |
| 308 | F | 39.6 | Very low | 38.5 | Very low | 157 Ų | 157 | 109 Ų | 109 | 69% | 0.689 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.4 | -37.6 | -179.4 | -149.1 | -92.6 | 0 | 0 | 0 | 113 | I304 L305 F306 A312 | I304-F308 WeakPolarHBondContact O-CB 3.38Å; I304-F308 PolarHBondContact O-N 3.49Å; L305-F308 PolarHBondContact O-N 3.11Å; F306-F308 VanDerWaalsContact C-N 3.33Å; F308-A312 VanDerWaalsContact O-CB 3.25Å; F308-A312 WeakPolarHBondContact O-CB 3.29Å; F308-A312 PolarHBondContact O-N 3.05Å |
| 309 | V | 42.2 | Very low | 38.2 | Very low | 78 Ų | 78 | 107 Ų | 107 | 47% | 0.473 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.5 | -37.6 | 175.1 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | L305 L307 I313 | L305-V309 WeakPolarHBondContact O-CG2 3.31Å; L305-V309 PolarHBondContact O-N 3.26Å; L307-V309 PolarHBondContact O-N 3.44Å; V309-I313 HydrophobicContact CG1-CD1 3.75Å; V309-I313 WeakPolarHBondContact O-CD1 3.4Å; V309-I313 VanDerWaalsContact O-CG1 3.22Å; V309-I313 WeakPolarHBondContact O-CG1 3.39Å; V309-I313 PolarHBondContact O-N 2.76Å; V309-I313 VanDerWaalsContact O-N 3.15Å |
| 310 | G | 37.1 | Very low | 37.8 | Very low | 42 Ų | 42 | 111.5 Ų | 111.5 | 43% | 0.433 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.9 | -46.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F306 L307 I313 W314 | F306-G310 PolarHBondContact O-N 2.81Å; L307-G310 PolarHBondContact O-N 3.34Å; G310-I313 PolarHBondContact O-N 3.28Å; G310-W314 WeakPolarHBondContact O-CB 3.48Å; G310-W314 PolarHBondContact O-N 2.88Å |
| 311 | S | 41.5 | Very low | 37.4 | Very low | 70 Ų | 70 | 111.7 Ų | 111.7 | 49% | 0.49 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.5 | -37.2 | 179.5 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | L307 I313 W314 E315 | L307-S311 WeakPolarHBondContact O-CB 3.36Å; L307-S311 PolarHBondContact O-N 2.71Å; L307-S311 PolarHBondContact O-OG 2.92Å; L307-S311 VanDerWaalsContact O-OG 3.09Å; S311-I313 VanDerWaalsContact C-N 3.33Å; S311-I313 PolarHBondContact O-N 2.9Å; S311-W314 PolarHBondContact O-N 3.32Å; S311-E315 WeakPolarHBondContact O-CB 3.37Å; S311-E315 PolarHBondContact O-N 3.42Å |
| 312 | A | 37.7 | Very low | 37.1 | Very low | 43 Ų | 43 | 116.5 Ų | 116.5 | 36% | 0.355 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.5 | -32.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F308 L316 | F308-A312 VanDerWaalsContact O-CB 3.25Å; F308-A312 WeakPolarHBondContact O-CB 3.29Å; F308-A312 PolarHBondContact O-N 3.05Å; A312-L316 WeakPolarHBondContact O-CD1 3.18Å; A312-L316 PolarHBondContact O-N 3.18Å |
| 313 | I | 43.9 | Very low | 36.8 | Very low | 107 Ų | 107 | 118.4 Ų | 118.4 | 55% | 0.549 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -74.4 | -36.7 | 174.4 | -64.1 | 168.5 | 0 | 0 | 0 | 110.3 | V309 G310 S311 L316 S317 | V309-I313 HydrophobicContact CG1-CD1 3.75Å; V309-I313 WeakPolarHBondContact O-CD1 3.4Å; V309-I313 VanDerWaalsContact O-CG1 3.22Å; V309-I313 WeakPolarHBondContact O-CG1 3.39Å; V309-I313 PolarHBondContact O-N 2.76Å; V309-I313 VanDerWaalsContact O-N 3.15Å; G310-I313 PolarHBondContact O-N 3.28Å; S311-I313 VanDerWaalsContact C-N 3.33Å; S311-I313 PolarHBondContact O-N 2.9Å; I313-L316 PolarHBondContact O-N 2.65Å; I313-S317 PolarHBondContact O-N 2.71Å |
| 314 | W | 36.1 | Very low | 36.7 | Very low | 190 Ų | 190 | 120.1 Ų | 120.1 | 72% | 0.72 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.8 | -40.8 | 175.7 | -163.9 | -73.9 | 0 | 0 | 0 | 112.8 | G310 S311 L316 S317 C318 | G310-W314 WeakPolarHBondContact O-CB 3.48Å; G310-W314 PolarHBondContact O-N 2.88Å; S311-W314 PolarHBondContact O-N 3.32Å; W314-L316 PolarHBondContact O-N 3.4Å; W314-S317 PolarHBondContact O-N 3.48Å; W314-C318 PolarHBondContact O-N 2.83Å; W314-C318 VanDerWaalsContact O-N 3.09Å |
| 315 | E | 33.3 | Very low | 36.1 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 58% | 0.575 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -65.7 | -24 | 175.5 | -84.1 | -157.9 | 153.8 | 0 | 0 | 113.1 | S311 Y322 | S311-E315 WeakPolarHBondContact O-CB 3.37Å; S311-E315 PolarHBondContact O-N 3.42Å; E315-Y322 WeakPolarHBondContact OE1-CE2 3.47Å |
| 316 | L | 39.2 | Very low | 35.7 | Very low | 154 Ų | 154 | 122.1 Ų | 122.1 | 81% | 0.806 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -78.2 | -20 | 172.2 | -85.7 | 158.6 | 0 | 0 | 0 | 113.1 | A312 I313 W314 | A312-L316 WeakPolarHBondContact O-CD1 3.18Å; A312-L316 PolarHBondContact O-N 3.18Å; I313-L316 PolarHBondContact O-N 2.65Å; W314-L316 PolarHBondContact O-N 3.4Å |
| 317 | S | 39.7 | Very low | 35.3 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -94.4 | -20.1 | 176.9 | -73.1 | 0 | 0 | 0 | 0 | 114.2 | I313 W314 | I313-S317 PolarHBondContact O-N 2.71Å; W314-S317 PolarHBondContact O-N 3.48Å |
| 318 | C | 29.4 | Very low | 34.7 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 53% | 0.527 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -109.2 | 89.7 | 175.3 | -66.5 | 0 | 0 | 0 | 0 | 110.5 | W314 | W314-C318 PolarHBondContact O-N 2.83Å; W314-C318 VanDerWaalsContact O-N 3.09Å |
| 319 | G | 29 | Very low | 34.5 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | trans | -58.8 | 159.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 320 | H | 29 | Very low | 33.8 | Very low | 204 Ų | 204 | 132.4 Ų | 132.4 | 94% | 0.944 | 72% | 0.715 | S | S | * | * | trans | 74.3 | 99.6 | 174.1 | -80.2 | 26.1 | 0 | 0 | 0 | 116.4 | ||||
| 321 | G | 30.4 | Very low | 33.5 | Very low | 68 Ų | 68 | 136.7 Ų | 136.7 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | 178.2 | -17.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 322 | Y | 28.9 | Very low | 32.9 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | -118.4 | 64.4 | -174.5 | -75.1 | -80.7 | 0 | 0 | 0 | 113.6 | E315 | E315-Y322 WeakPolarHBondContact OE1-CE2 3.47Š| ||
| 323 | L | 34 | Very low | 32.5 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -104.9 | 10.9 | 162.6 | -138.4 | 130.9 | 0 | 0 | 0 | 113.1 | ||
| 324 | E | 32.8 | Very low | 31.8 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -127.1 | 30.7 | -174.4 | -136.3 | -168.2 | -178.2 | 0 | 0 | 116.4 | ||
| 325 | L | 31.9 | Very low | 31.4 | Very low | 161 Ų | 161 | 148.6 Ų | 148.6 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -123.8 | 16.8 | 168.6 | -136.4 | 81.4 | 0 | 0 | 0 | 115.3 | ||
| 326 | A | 31.2 | Very low | 31.2 | Very low | 97 Ų | 97 | 154.2 Ų | 154.2 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -99 | -2.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 327 | R | 32.6 | Very low | 30.6 | Very low | 234 Ų | 234 | 153.2 Ų | 153.2 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -94.2 | 4.7 | -175.1 | -116.4 | -178.6 | -176.1 | 164.6 | 1.9 | 116.3 | ||
| 328 | R | 30.2 | Very low | 30 | Very low | 237 Ų | 237 | 154 Ų | 154 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | trans | -130.9 | 65.9 | 178 | -74.2 | -173.9 | 178 | -177.7 | 1.1 | 113 | ||||
| 329 | T | 34.6 | Very low | 29.9 | Very low | 130 Ų | 130 | 156 Ų | 156 | 80% | 0.798 | 82% | 0.82 | S | S | * | * | trans | -134.8 | 94.3 | 149.1 | 48.7 | 0 | 0 | 0 | 0 | 109.4 | V331 | T329-V331 PolarHBondContact O-N 2.84Š| ||
| 330 | T | 27.1 | Very low | 29.8 | Very low | 138 Ų | 138 | 158.6 Ų | 158.6 | 85% | 0.847 | 83% | 0.827 | S | S | * | * | trans | -64.5 | 114.9 | 164.3 | 37 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 331 | V | 30.8 | Very low | 29.8 | Very low | 133 Ų | 133 | 156.8 Ų | 156.8 | 81% | 0.806 | 82% | 0.823 | S | S | * | * | trans | -129.3 | 107.9 | 156.8 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | T329 S333 | T329-V331 PolarHBondContact O-N 2.84Å; V331-S333 PolarHBondContact O-N 2.9Å | ||
| 332 | K | 28.7 | Very low | 29.6 | Very low | 204 Ų | 204 | 161.7 Ų | 161.7 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | trans | -43.7 | 101.9 | 170.1 | -68.5 | 167.6 | 173.1 | 174.8 | 0 | 111 | S334 | K332-S334 PolarHBondContact O-N 3.37Š| ||
| 333 | S | 30.5 | Very low | 29.5 | Very low | 118 Ų | 118 | 162.9 Ų | 162.9 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -90.4 | 95.2 | 163.4 | 171.3 | 0 | 0 | 0 | 0 | 108.5 | V331 | V331-S333 PolarHBondContact O-N 2.9Š| ||
| 334 | S | 28.9 | Very low | 29.1 | Very low | 109 Ų | 109 | 163.8 Ų | 163.8 | 76% | 0.762 | 83% | 0.834 | S | S | * | * | trans | -51.1 | 131.3 | 174.4 | -173.4 | 0 | 0 | 0 | 0 | 112 | K332 R336 | K332-S334 PolarHBondContact O-N 3.37Å; S334-R336 PolarHBondContact O-N 3.41Å | ||
| 335 | R | 26.8 | Very low | 28.9 | Very low | 229 Ų | 229 | 159.5 Ų | 159.5 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -55.6 | 118.8 | 174.4 | -68.1 | 174 | 177.7 | -179.2 | -2.1 | 110.8 | ||||
| 336 | R | 29.4 | Very low | 28.9 | Very low | 240 Ų | 240 | 157.3 Ų | 157.3 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -133.3 | 85.6 | 145.2 | -79.3 | -168.8 | -176.8 | 179.5 | 1.3 | 108.5 | S334 T338 | S334-R336 PolarHBondContact O-N 3.41Å; R336-T338 PolarHBondContact O-N 3.38Å | ||
| 337 | T | 27.5 | Very low | 28.8 | Very low | 134 Ų | 134 | 161.8 Ų | 161.8 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -63.6 | 109.7 | 159.2 | 32.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 338 | T | 27.5 | Very low | 28.6 | Very low | 117 Ų | 117 | 159.5 Ų | 159.5 | 72% | 0.718 | 82% | 0.819 | S | S | * | * | trans | -115.9 | 118.4 | 155.9 | 40.9 | 0 | 0 | 0 | 0 | 107.1 | R336 C340 | R336-T338 PolarHBondContact O-N 3.38Å; T338-C340 PolarHBondContact O-N 3.18Å | ||
| 339 | P | 26.9 | Very low | 28.6 | Very low | 120 Ų | 120 | 154.6 Ų | 154.6 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | trans | -74 | 111.8 | -176.8 | 29.5 | -31.2 | 0 | 0 | 0 | 109.2 | L341 | P339-L341 PolarHBondContact O-N 3.24Š| ||
| 340 | C | 27.1 | Very low | 28.2 | Very low | 122 Ų | 122 | 152.8 Ų | 152.8 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -74.7 | 106.2 | 168.1 | -67.8 | 0 | 0 | 0 | 0 | 108 | T338 L342 | T338-C340 PolarHBondContact O-N 3.18Å; C340-L342 PolarHBondContact O-N 3.05Å | ||
| 341 | L | 28.2 | Very low | 28.9 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | trans | -51.7 | 124 | 172.3 | -71.3 | 159.5 | 0 | 0 | 0 | 110.2 | P339 Y343 | P339-L341 PolarHBondContact O-N 3.24Å; L341-Y343 PolarHBondContact O-N 3.34Å | ||
| 342 | L | 26.9 | Very low | 28.8 | Very low | 170 Ų | 170 | 156.8 Ų | 156.8 | 89% | 0.89 | 83% | 0.833 | S | S | * | * | trans | -58.6 | 99.2 | 168.2 | -84.2 | 149.5 | 0 | 0 | 0 | 109.5 | C340 K344 | C340-L342 PolarHBondContact O-N 3.05Å; L342-K344 PolarHBondContact O-N 3.12Å; L342-K344 VanDerWaalsContact O-N 3.14Å | ||
| 343 | Y | 25.4 | Very low | 28.8 | Very low | 217 Ų | 217 | 154.3 Ų | 154.3 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | trans | -80.7 | 89.8 | 165.5 | -146.7 | -98.4 | 0 | 0 | 0 | 108.3 | L341 S345 | L341-Y343 PolarHBondContact O-N 3.34Å; Y343-S345 PolarHBondContact O-N 3.14Å; Y343-S345 VanDerWaalsContact O-N 3.12Å | ||
| 344 | K | 26.8 | Very low | 28.7 | Very low | 192 Ų | 192 | 156.3 Ų | 156.3 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | trans | -68.1 | 93.1 | 164.8 | -103.5 | 176 | 170.8 | 177.9 | 0 | 107.5 | L342 S346 | L342-K344 PolarHBondContact O-N 3.12Å; L342-K344 VanDerWaalsContact O-N 3.14Å; K344-S346 PolarHBondContact O-N 3.2Å | ||
| 345 | S | 28.6 | Very low | 28.7 | Very low | 81 Ų | 81 | 159.1 Ų | 159.1 | 57% | 0.566 | 83% | 0.834 | S | S | * | * | trans | -87.4 | 99.9 | 163.2 | 55.4 | 0 | 0 | 0 | 0 | 108.3 | Y343 F347 | Y343-S345 PolarHBondContact O-N 3.14Å; Y343-S345 VanDerWaalsContact O-N 3.12Å; S345-F347 PolarHBondContact O-N 3.45Å | ||
| 346 | S | 30.4 | Very low | 28.8 | Very low | 115 Ų | 115 | 154.8 Ų | 154.8 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -51.9 | 113.1 | 169.6 | -46 | 0 | 0 | 0 | 0 | 109.7 | K344 F348 | K344-S346 PolarHBondContact O-N 3.2Å; S346-F348 PolarHBondContact O-N 3.34Å; S346-F348 VanDerWaalsContact O-N 3.13Å | ||
| 347 | F | 30.8 | Very low | 28.7 | Very low | 192 Ų | 192 | 149.1 Ų | 149.1 | 84% | 0.842 | 83% | 0.828 | S | S | * | * | trans | -72.1 | 104.7 | 166.6 | -95.6 | -90.9 | 0 | 0 | 0 | 107.9 | S345 V349 | S345-F347 PolarHBondContact O-N 3.45Å; F347-V349 PolarHBondContact O-N 3.13Å | ||
| 348 | F | 27 | Very low | 28.8 | Very low | 185 Ų | 185 | 150.1 Ų | 150.1 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | trans | -61.7 | 114.7 | 163.8 | -160.1 | -100.6 | 0 | 0 | 0 | 107.1 | S346 P350 | S346-F348 PolarHBondContact O-N 3.34Å; S346-F348 VanDerWaalsContact O-N 3.13Å; F348-P350 HydrophobicContact CD1-CB 4.38Å; F348-P350 HydrophobicContact CE1-CB 4.42Å; F348-P350 WeakPolarHBondContact O-CD 3.36Å | ||
| 349 | V | 31 | Very low | 28.9 | Very low | 134 Ų | 134 | 152.7 Ų | 152.7 | 81% | 0.812 | 84% | 0.836 | S | S | * | * | trans | -96.1 | 108.7 | 170.8 | 177.3 | 0 | 0 | 0 | 0 | 106.3 | F347 | F347-V349 PolarHBondContact O-N 3.13Š| ||
| 350 | P | 25.5 | Very low | 29.1 | Very low | 93 Ų | 93 | 155.4 Ų | 155.4 | 60% | 0.604 | 84% | 0.841 | S | S | * | * | trans | -92.5 | 123.1 | 174.9 | 33.1 | -25.7 | 0 | 0 | 0 | 109.9 | F348 | F348-P350 HydrophobicContact CD1-CB 4.38Å; F348-P350 HydrophobicContact CE1-CB 4.42Å; F348-P350 WeakPolarHBondContact O-CD 3.36Å | ||
| 351 | S | 41.4 | Very low | 29.3 | Very low | 198 Ų | 198 | 158.5 Ų | 158.5 | 100% | 1.385 | 84% | 0.843 | S | S | * | * | trans | -176.3 | 0 | 135.9 | -73.4 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 351 of 351 residues in 365.4 ms
(Link to these results)