| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.3 | Very low | 43.7 | Very low | 241 Ų | 241 | 136.2 Ų | 136.2 | 100% | 1.187 | 85% | 0.85 | S | S | * | * | 0 | 101.7 | 0 | -74.4 | -71.5 | 174.1 | 0 | 0 | 108.4 | |||||
| 2 | P | 49.3 | Very low | 43.4 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 83% | 0.831 | 86% | 0.856 | S | S | * | * | trans | -108.9 | 137.7 | 151.7 | 18.3 | 0.7 | 0 | 0 | 0 | 110 | ||||
| 3 | S | 44.2 | Very low | 42.6 | Very low | 117 Ų | 117 | 150.8 Ų | 150.8 | 82% | 0.818 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -56 | 127.6 | 179.3 | 38.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 4 | G | 38.1 | Very low | 41.9 | Very low | 77 Ų | 77 | 146.1 Ų | 146.1 | 79% | 0.794 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 138.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 5 | L | 49.8 | Very low | 41.3 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 89% | 0.885 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 143.1 | 167.1 | -70.9 | 167.1 | 0 | 0 | 0 | 109.6 | ||
| 6 | P | 51.3 | Low | 40.7 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 80% | 0.799 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 138.4 | -176.3 | 23.2 | -12 | 0 | 0 | 0 | 112.3 | ||
| 7 | C | 46.3 | Very low | 40.3 | Very low | 121 Ų | 121 | 154.8 Ų | 154.8 | 82% | 0.818 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 145 | 169.4 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 8 | P | 47.1 | Very low | 39.9 | Very low | 126 Ų | 126 | 153.4 Ų | 153.4 | 82% | 0.818 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 134.6 | 174.1 | 29.6 | -30.4 | 0 | 0 | 0 | 111.5 | ||
| 9 | A | 37.9 | Very low | 39.3 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 85% | 0.851 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 127.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 10 | L | 40.4 | Very low | 39 | Very low | 171 Ų | 171 | 149.6 Ų | 149.6 | 90% | 0.895 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 116.7 | 167.1 | -80.6 | 162.2 | 0 | 0 | 0 | 109.8 | R12 | L10-R12 PolarHBondContact O-N 3.25Š|
| 11 | D | 33.6 | Very low | 38.5 | Very low | 122 Ų | 122 | 150.8 Ų | 150.8 | 65% | 0.652 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 116.6 | 174.9 | -165.5 | 6.3 | 0 | 0 | 0 | 110.1 | R13 | D11-R13 IonicContact OD1-NE 2.61Å; D11-R13 PolarHBondContact OD1-NE 3.18Å; D11-R13 IonicContact OD2-NE 2.62Å |
| 12 | R | 40.2 | Very low | 38.1 | Very low | 246 Ų | 246 | 145.3 Ų | 145.3 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | trans | -99.8 | 97.3 | 169.3 | -81.6 | -170 | 173.9 | -160.8 | -0.6 | 108.9 | L10 | L10-R12 PolarHBondContact O-N 3.25Š| ||
| 13 | R | 33.4 | Very low | 37.7 | Very low | 217 Ų | 217 | 145.2 Ų | 145.2 | 82% | 0.819 | 83% | 0.829 | S | S | * | * | trans | -128.3 | 115.3 | 161.7 | -72.5 | -177.4 | -138.3 | -127.7 | 1.8 | 110.3 | D11 | D11-R13 IonicContact OD1-NE 2.61Å; D11-R13 PolarHBondContact OD1-NE 3.18Å; D11-R13 IonicContact OD2-NE 2.62Å | ||
| 14 | G | 32.2 | Very low | 37 | Very low | 84 Ų | 84 | 143.1 Ų | 143.1 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | trans | 152 | 49.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 15 | A | 32.8 | Very low | 36.6 | Very low | 101 Ų | 101 | 149 Ų | 149 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -117.9 | 97.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | R17 | A15-R17 PolarHBondContact O-N 3.24Š| ||
| 16 | R | 32.6 | Very low | 35.7 | Very low | 241 Ų | 241 | 150.9 Ų | 150.9 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -78.2 | 114.3 | 174 | -167.5 | -178.9 | -91.6 | -127.3 | 2.4 | 107.9 | ||||
| 17 | R | 33.1 | Very low | 34.6 | Very low | 245 Ų | 245 | 148.9 Ų | 148.9 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | -76.1 | 134.5 | 168.2 | -68.9 | 179.2 | -157.3 | -110.4 | -0.8 | 108.8 | A15 | A15-R17 PolarHBondContact O-N 3.24Š| ||
| 18 | V | 33.3 | Very low | 33.8 | Very low | 129 Ų | 129 | 147 Ų | 147 | 78% | 0.782 | 82% | 0.822 | S | S | * | * | trans | -116.5 | 123.8 | 158.7 | 176 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 19 | A | 29.5 | Very low | 33 | Very low | 93 Ų | 93 | 145.9 Ų | 145.9 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -102 | 138.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 20 | T | 32.1 | Very low | 32.9 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | trans | -140.7 | 125.4 | 162.4 | 48.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 21 | E | 30 | Very low | 32.5 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -86.6 | 133.4 | -180 | -73.9 | -175.9 | 137.1 | 0 | 0 | 112.9 | ||||
| 22 | T | 32.3 | Very low | 32.4 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | 61.9 | 169.1 | 139.4 | 66.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 23 | P | 42.3 | Very low | 32 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | cis | -133.7 | 173.8 | -8.7 | 25.5 | -2 | 0 | 0 | 0 | 115.5 | ||||
| 24 | G | 28.4 | Very low | 31.9 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | trans | 130.9 | 103 | 139.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 25 | R | 29.9 | Very low | 31.9 | Very low | 202 Ų | 202 | 139.4 Ų | 139.4 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | 59.4 | 123.4 | 135.3 | -84.6 | -168.9 | 170.1 | -143.7 | 1.8 | 124.2 | ||||
| 26 | R | 30.3 | Very low | 32.5 | Very low | 208 Ų | 208 | 140.9 Ų | 140.9 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | 75 | 124.4 | 127.4 | -77 | -175.8 | -167.3 | -142.5 | -0.7 | 120.9 | |||||
| 27 | G | 28 | Very low | 32.5 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | 133.5 | 62 | 124 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 28 | G | 30.3 | Very low | 32.5 | Very low | 82 Ų | 82 | 133 Ų | 133 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | -96.7 | 109.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 29 | A | 31.2 | Very low | 32.3 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | -87.4 | 126.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 30 | H | 35.2 | Very low | 32.4 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 89% | 0.889 | 83% | 0.832 | S | S | * | * | trans | -112 | 140 | 169.3 | -97.8 | -90.4 | 0 | 0 | 0 | 110.8 | ||||
| 31 | C | 31.4 | Very low | 32.3 | Very low | 129 Ų | 129 | 129 Ų | 129 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | trans | -55.2 | 140.5 | -173.9 | -61 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 32 | A | 32 | Very low | 32.3 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -107.7 | 129.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 33 | L | 31.9 | Very low | 32.3 | Very low | 171 Ų | 171 | 126.5 Ų | 126.5 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | trans | -85.7 | 167.2 | 169.4 | -76.3 | 158.9 | 0 | 0 | 0 | 110.9 | ||||
| 34 | S | 31.2 | Very low | 31.8 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | trans | -53.8 | 168.9 | -164.2 | -48.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 35 | A | 33.1 | Very low | 31.9 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 84% | 0.837 | S | S | * | * | trans | -70.1 | -164.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 36 | P | 45.4 | Very low | 32 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 86% | 0.857 | 84% | 0.844 | S | S | * | * | cis | -131.6 | 170.3 | -13.4 | 36.3 | -16.8 | 0 | 0 | 0 | 114.8 | ||||
| 37 | G | 31.6 | Very low | 32.2 | Very low | 81 Ų | 81 | 125 Ų | 125 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | trans | -151.7 | 137.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 38 | R | 32.3 | Very low | 33 | Very low | 240 Ų | 240 | 127 Ų | 127 | 91% | 0.906 | 84% | 0.843 | S | S | * | * | trans | -111.8 | 150 | -159.8 | -157.5 | 177.6 | -175.7 | -118.1 | 4.8 | 111.4 | ||||
| 39 | S | 30.4 | Very low | 32.8 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 83% | 0.832 | 85% | 0.846 | S | S | * | * | trans | 83.2 | 130.9 | 150.8 | 76 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 40 | G | 30.4 | Very low | 33.1 | Very low | 83 Ų | 83 | 141.1 Ų | 141.1 | 86% | 0.856 | 85% | 0.849 | S | S | * | * | trans | 149 | 110.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 41 | G | 30 | Very low | 33.6 | Very low | 72 Ų | 72 | 137.4 Ų | 137.4 | 74% | 0.742 | 84% | 0.842 | S | S | * | * | trans | 89 | 92.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 42 | V | 30.6 | Very low | 33.7 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | 68.3 | 111.7 | 86.5 | -177.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 43 | A | 32.3 | Very low | 33.8 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 81% | 0.81 | 84% | 0.84 | S | S | * | * | -179 | 125.1 | 122.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 44 | C | 31.7 | Very low | 34.1 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | trans | -78.1 | 151 | 170.2 | -82.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 45 | S | 31.3 | Very low | 34.2 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | -176 | 117.6 | 129.1 | -81.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 46 | R | 31.2 | Very low | 34.6 | Very low | 241 Ų | 241 | 134.9 Ų | 134.9 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | trans | 37.4 | 113.7 | 139.6 | -73.2 | 176.5 | 168.1 | -125.2 | -1.2 | 122.4 | ||||
| 47 | A | 34.2 | Very low | 34 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | 24.2 | 158.8 | 120 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 48 | P | 45 | Very low | 34.2 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | cis | -146.7 | -179.4 | 27.4 | 40.3 | -17.4 | 0 | 0 | 0 | 118.3 | ||||
| 49 | W | 27.4 | Very low | 34.4 | Very low | 240 Ų | 240 | 130.1 Ų | 130.1 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -64.8 | 155.9 | 177.9 | -67.6 | 24.7 | 0 | 0 | 0 | 115.7 | ||||
| 50 | R | 36.9 | Very low | 34.7 | Very low | 240 Ų | 240 | 129.3 Ų | 129.3 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | -165.2 | 158.4 | 117.9 | -104.5 | -175.3 | -177.5 | -90.9 | -0.9 | 113.3 | |||||
| 51 | P | 46.3 | Very low | 35 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -107.6 | 164.7 | -162.4 | 40.8 | -32.7 | 0 | 0 | 0 | 113.9 | ||||
| 52 | G | 32.4 | Very low | 35.7 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -177 | 118.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 53 | A | 34.7 | Very low | 36.3 | Very low | 109 Ų | 109 | 136 Ų | 136 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | trans | 78.2 | 115.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 54 | A | 37.1 | Very low | 36.7 | Very low | 87 Ų | 87 | 133.6 Ų | 133.6 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | trans | -71.9 | 150.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 55 | L | 34.1 | Very low | 37.2 | Very low | 155 Ų | 155 | 130.1 Ų | 130.1 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | -179.7 | 134 | 116.7 | -125.1 | 74.1 | 0 | 0 | 0 | 112 | |||||
| 56 | V | 41.5 | Very low | 37.8 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | 37.9 | 117.1 | 151 | -76 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 57 | G | 33.3 | Very low | 38.7 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -179.8 | 83.2 | 154 | 0 | 0 | 0 | 0 | 0 | 109.3 | P59 | G57-P59 VanDerWaalsContact O-CD 3.26Å; G57-P59 WeakPolarHBondContact O-CD 3.45Å | ||
| 58 | L | 36.1 | Very low | 39.5 | Very low | 173 Ų | 173 | 121.1 Ų | 121.1 | 91% | 0.906 | 74% | 0.735 | S | S | * | * | trans | -56 | 122.7 | 164.6 | -86.4 | 103.7 | 0 | 0 | 0 | 107.9 | S60 | L58-S60 PolarHBondContact O-N 3.11Š| ||
| 59 | P | 36.1 | Very low | 40.1 | Very low | 111 Ų | 111 | 122.3 Ų | 122.3 | 72% | 0.721 | 73% | 0.728 | S | S | * | * | trans | -70.9 | 115.8 | 160.4 | -6.5 | 24 | 0 | 0 | 0 | 106.4 | G57 W61 | G57-P59 VanDerWaalsContact O-CD 3.26Å; G57-P59 WeakPolarHBondContact O-CD 3.45Å; P59-W61 VanDerWaalsContact C-N 3.34Å; P59-W61 PolarHBondContact O-N 2.96Å | ||
| 60 | S | 36.7 | Very low | 41.6 | Very low | 103 Ų | 103 | 116.7 Ų | 116.7 | 72% | 0.72 | 71% | 0.713 | S | S | * | * | trans | -46.4 | 102.5 | 158.6 | 151.6 | 0 | 0 | 0 | 0 | 108.5 | L58 V62 | L58-S60 PolarHBondContact O-N 3.11Å; S60-V62 PolarHBondContact O-N 2.9Å; S60-V62 VanDerWaalsContact O-N 3.08Å | ||
| 61 | W | 35.9 | Very low | 42.8 | Very low | 228 Ų | 228 | 110.3 Ų | 110.3 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | trans | -59.1 | 107.7 | 166.1 | -109 | 43.9 | 0 | 0 | 0 | 108.5 | P59 P63 | P59-W61 VanDerWaalsContact C-N 3.34Å; P59-W61 PolarHBondContact O-N 2.96Å; W61-P63 HydrophobicContact CE3-CG 4.09Å | ||
| 62 | V | 45.1 | Very low | 43.5 | Very low | 116 Ų | 116 | 113.3 Ų | 113.3 | 70% | 0.703 | 69% | 0.693 | S | S | * | * | trans | -117.9 | 88.3 | 155.9 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | S60 G64 | S60-V62 PolarHBondContact O-N 2.9Å; S60-V62 VanDerWaalsContact O-N 3.08Å; V62-G64 PolarHBondContact O-N 3.31Å | ||
| 63 | P | 43.3 | Very low | 45.1 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 64.3 | 170 | 32.4 | -30.1 | 0 | 0 | 0 | 109.6 | W61 | W61-P63 HydrophobicContact CE3-CG 4.09Š|
| 64 | G | 40.7 | Very low | 46.7 | Very low | 48 Ų | 48 | 114.6 Ų | 114.6 | 50% | 0.495 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.6 | -31 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | V62 | V62-G64 PolarHBondContact O-N 3.31Š|
| 65 | G | 42.4 | Very low | 48.3 | Very low | 52 Ų | 52 | 113.5 Ų | 113.5 | 54% | 0.536 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -79.9 | -24.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | K69 | G65-K69 WeakPolarHBondContact O-CG 3.27Å; G65-K69 PolarHBondContact O-N 2.93Å |
| 66 | G | 43.1 | Very low | 50.2 | Low | 55 Ų | 55 | 110.1 Ų | 110.1 | 57% | 0.567 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.4 | -39.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | M70 | G66-M70 PolarHBondContact O-N 3.11Å |
| 67 | K | 49.6 | Very low | 51.9 | Low | 162 Ų | 162 | 109.2 Ų | 109.2 | 70% | 0.704 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.7 | -42.7 | 179.7 | -72.6 | -176.3 | 175.4 | -177.8 | 0 | 111.6 | K69 M70 L71 | K67-K69 PolarHBondContact O-N 3.37Å; K67-M70 PolarHBondContact O-N 3.41Å; K67-L71 WeakPolarHBondContact O-CD1 3.2Å; K67-L71 PolarHBondContact O-N 2.96Å |
| 68 | G | 52.2 | Low | 53.9 | Low | 46 Ų | 46 | 108.5 Ų | 108.5 | 47% | 0.474 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.6 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M70 R72 | G68-M70 VanDerWaalsContact C-N 3.3Å; G68-M70 PolarHBondContact O-N 2.81Å; G68-R72 WeakPolarHBondContact O-CB 3.44Å; G68-R72 PolarHBondContact O-N 3.02Å |
| 69 | K | 58.1 | Low | 56.1 | Low | 149 Ų | 149 | 104.8 Ų | 104.8 | 65% | 0.648 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.1 | -25.7 | 176.5 | -72.8 | -177.4 | -179.4 | -173.2 | 0 | 113.9 | G65 K67 R73 | G65-K69 WeakPolarHBondContact O-CG 3.27Å; G65-K69 PolarHBondContact O-N 2.93Å; K67-K69 PolarHBondContact O-N 3.37Å; K69-R73 PolarHBondContact O-N 2.66Å; K69-R73 PolarHBondContact O-NE 3.38Å; K69-R73 VanDerWaalsContact O-NE 3.12Å |
| 70 | M | 58.8 | Low | 58.4 | Low | 122 Ų | 122 | 102.3 Ų | 102.3 | 60% | 0.601 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -83.6 | -39.7 | 178.8 | -162.8 | 176.1 | -141.8 | 0 | 0 | 111.6 | G66 K67 G68 N74 | G66-M70 PolarHBondContact O-N 3.11Å; K67-M70 PolarHBondContact O-N 3.41Å; G68-M70 VanDerWaalsContact C-N 3.3Å; G68-M70 PolarHBondContact O-N 2.81Å; M70-N74 PolarHBondContact O-N 3.39Å; M70-N74 VanDerWaalsContact O-N 3.14Å; M70-N74 PolarHBondContact O-ND2 2.93Å |
| 71 | L | 61.1 | Low | 60.5 | Low | 107 Ų | 107 | 99.8 Ų | 99.8 | 56% | 0.56 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.2 | -41.2 | 171.7 | -89.7 | 94.7 | 0 | 0 | 0 | 111.8 | K67 N74 L75 | K67-L71 WeakPolarHBondContact O-CD1 3.2Å; K67-L71 PolarHBondContact O-N 2.96Å; L71-N74 PolarHBondContact O-N 2.86Å; L71-L75 WeakPolarHBondContact O-CG 3.29Å; L71-L75 PolarHBondContact O-N 3.33Å |
| 72 | R | 61.4 | Low | 62.8 | Low | 175 Ų | 175 | 89.3 Ų | 89.3 | 66% | 0.66 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.5 | -46.6 | 178.9 | -159.9 | 172.3 | -149.4 | -97.8 | 3.8 | 112.3 | G68 N74 L75 D76 | G68-R72 WeakPolarHBondContact O-CB 3.44Å; G68-R72 PolarHBondContact O-N 3.02Å; R72-N74 PolarHBondContact O-N 3.4Å; R72-L75 PolarHBondContact O-N 3.06Å; R72-L75 VanDerWaalsContact O-N 3.13Å; R72-D76 PolarHBondContact O-N 3.37Å |
| 73 | R | 65.9 | Low | 64.9 | Low | 150 Ų | 150 | 90.3 Ų | 90.3 | 57% | 0.566 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.4 | -42.6 | 174.3 | -82 | -176.5 | -81.8 | 162.9 | -8.9 | 113.2 | K69 L75 D76 E77 | K69-R73 PolarHBondContact O-N 2.66Å; K69-R73 PolarHBondContact O-NE 3.38Å; K69-R73 VanDerWaalsContact O-NE 3.12Å; R73-L75 VanDerWaalsContact C-N 3.28Å; R73-L75 PolarHBondContact O-N 3.24Å; R73-D76 PolarHBondContact O-N 3.41Å; R73-E77 WeakPolarHBondContact O-CB 3.47Å; R73-E77 VanDerWaalsContact O-CG 3.32Å; R73-E77 WeakPolarHBondContact O-CG 3.47Å; R73-E77 PolarHBondContact O-N 3.03Å |
| 74 | N | 68.9 | Low | 66.9 | Low | 64 Ų | 64 | 91.7 Ų | 91.7 | 34% | 0.342 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -30.1 | 176.2 | -89.9 | -86.2 | 0 | 0 | 0 | 113.3 | M70 L71 R72 R78 | M70-N74 PolarHBondContact O-N 3.39Å; M70-N74 VanDerWaalsContact O-N 3.14Å; M70-N74 PolarHBondContact O-ND2 2.93Å; L71-N74 PolarHBondContact O-N 2.86Å; R72-N74 PolarHBondContact O-N 3.4Å; N74-R78 VanDerWaalsContact O-CD 3.29Å; N74-R78 WeakPolarHBondContact O-CD 3.34Å; N74-R78 WeakPolarHBondContact O-CG 3.35Å; N74-R78 PolarHBondContact O-NE 3.12Å |
| 75 | L | 70.6 | Confident | 69.1 | Low | 64 Ų | 64 | 89.6 Ų | 89.6 | 34% | 0.335 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74.7 | -47.3 | 174.6 | -72.3 | 165.7 | 0 | 0 | 0 | 110.3 | L71 R72 R73 E77 R78 D79 | L71-L75 WeakPolarHBondContact O-CG 3.29Å; L71-L75 PolarHBondContact O-N 3.33Å; R72-L75 PolarHBondContact O-N 3.06Å; R72-L75 VanDerWaalsContact O-N 3.13Å; R73-L75 VanDerWaalsContact C-N 3.28Å; R73-L75 PolarHBondContact O-N 3.24Å; L75-E77 VanDerWaalsContact C-N 3.3Å; L75-E77 PolarHBondContact O-N 3.32Å; L75-R78 PolarHBondContact O-N 3.17Å; L75-R78 VanDerWaalsContact O-N 3.13Å; L75-D79 PolarHBondContact O-N 3.35Å |
| 76 | D | 73.6 | Confident | 71.5 | Confident | 84 Ų | 84 | 91.5 Ų | 91.5 | 45% | 0.449 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 178.8 | -61.6 | -28.2 | 0 | 0 | 0 | 111.9 | R72 R73 A80 | R72-D76 PolarHBondContact O-N 3.37Å; R73-D76 PolarHBondContact O-N 3.41Å; D76-A80 WeakPolarHBondContact O-CB 3.36Å; D76-A80 PolarHBondContact O-N 3.26Å |
| 77 | E | 77.4 | Confident | 73.8 | Confident | 116 Ų | 116 | 92.5 Ų | 92.5 | 54% | 0.542 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 175.8 | -76.1 | 166.2 | -172.5 | 0 | 0 | 112.6 | R73 L75 A80 Q81 | R73-E77 WeakPolarHBondContact O-CB 3.47Å; R73-E77 VanDerWaalsContact O-CG 3.32Å; R73-E77 WeakPolarHBondContact O-CG 3.47Å; R73-E77 PolarHBondContact O-N 3.03Å; L75-E77 VanDerWaalsContact C-N 3.3Å; L75-E77 PolarHBondContact O-N 3.32Å; E77-A80 PolarHBondContact O-N 3.4Å; E77-Q81 WeakPolarHBondContact O-CG 3.46Å; E77-Q81 PolarHBondContact O-N 2.81Å |
| 78 | R | 76 | Confident | 75.9 | Confident | 54 Ų | 54 | 85.6 Ų | 85.6 | 20% | 0.204 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -71.9 | -34.5 | 179.4 | -68 | 171.7 | -162.4 | 162.3 | 9.3 | 112.3 | N74 L75 Q81 T82 | N74-R78 VanDerWaalsContact O-CD 3.29Å; N74-R78 WeakPolarHBondContact O-CD 3.34Å; N74-R78 WeakPolarHBondContact O-CG 3.35Å; N74-R78 PolarHBondContact O-NE 3.12Å; L75-R78 PolarHBondContact O-N 3.17Å; L75-R78 VanDerWaalsContact O-N 3.13Å; R78-Q81 PolarHBondContact O-N 2.89Å; R78-T82 PolarHBondContact O-N 3.3Å; R78-T82 PolarHBondContact O-OG1 3.01Å |
| 79 | D | 80.9 | Confident | 77.9 | Confident | 95 Ų | 95 | 83.5 Ų | 83.5 | 51% | 0.508 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 174.9 | -72.1 | -13.7 | 0 | 0 | 0 | 110.4 | L75 T82 K83 | L75-D79 PolarHBondContact O-N 3.35Å; D79-T82 PolarHBondContact O-N 2.97Å; D79-K83 WeakPolarHBondContact O-CB 3.47Å; D79-K83 PolarHBondContact O-N 2.96Å |
| 80 | A | 84.3 | Confident | 79.7 | Confident | 58 Ų | 58 | 79.8 Ų | 79.8 | 48% | 0.479 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D76 E77 T82 K83 Q84 | D76-A80 WeakPolarHBondContact O-CB 3.36Å; D76-A80 PolarHBondContact O-N 3.26Å; E77-A80 PolarHBondContact O-N 3.4Å; A80-T82 PolarHBondContact O-N 3.31Å; A80-K83 PolarHBondContact O-N 3.32Å; A80-Q84 WeakPolarHBondContact O-CB 3.04Å; A80-Q84 PolarHBondContact O-N 2.96Å |
| 81 | Q | 82.2 | Confident | 81.5 | Confident | 51 Ų | 51 | 78.3 Ų | 78.3 | 24% | 0.238 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 176 | -74.4 | 173.8 | -20.3 | 0 | 0 | 112.4 | E77 R78 Q84 L85 E231 | E77-Q81 WeakPolarHBondContact O-CG 3.46Å; E77-Q81 PolarHBondContact O-N 2.81Å; R78-Q81 PolarHBondContact O-N 2.89Å; Q81-Q84 PolarHBondContact O-N 2.89Å; Q81-L85 PolarHBondContact O-N 3.3Å; Q81-E231 PolarHBondContact NE2-OE1 3.44Å; Q81-E231 PolarHBondContact OE1-OE1 2.87Å |
| 82 | T | 83.7 | Confident | 83.2 | Confident | 8 Ų | 8 | 73.4 Ų | 73.4 | 5% | 0.049 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.9 | -41.8 | -179.3 | -53.3 | 0 | 0 | 0 | 0 | 111 | R78 D79 A80 L85 Q86 L182 L186 L230 | R78-T82 PolarHBondContact O-N 3.3Å; R78-T82 PolarHBondContact O-OG1 3.01Å; D79-T82 PolarHBondContact O-N 2.97Å; A80-T82 PolarHBondContact O-N 3.31Å; T82-L85 PolarHBondContact O-N 3.11Å; T82-Q86 WeakPolarHBondContact O-CB 3.38Å; T82-Q86 PolarHBondContact O-N 3.19Å; T82-L182 HydrophobicContact CG2-CD2 4.07Å; T82-L186 HydrophobicContact CG2-CD2 3.66Å; T82-L186 HydrophobicContact CG2-CG 4Å; T82-L230 HydrophobicContact CG2-CD2 4.43Å |
| 83 | K | 87.9 | Confident | 84.9 | Confident | 136 Ų | 136 | 69 Ų | 69 | 59% | 0.591 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.5 | -45.9 | 174.1 | -174.8 | 179.3 | 177.7 | -176.4 | 0 | 111.5 | D79 A80 L85 Q86 D87 | D79-K83 WeakPolarHBondContact O-CB 3.47Å; D79-K83 PolarHBondContact O-N 2.96Å; A80-K83 PolarHBondContact O-N 3.32Å; K83-L85 VanDerWaalsContact C-N 3.34Å; K83-L85 PolarHBondContact O-N 3.05Å; K83-Q86 WeakPolarHBondContact O-CB 3.4Å; K83-Q86 PolarHBondContact O-N 3.47Å; K83-Q86 VanDerWaalsContact O-N 3.14Å; K83-D87 VanDerWaalsContact O-CG 3.28Å; K83-D87 PolarHBondContact O-N 2.74Å |
| 84 | Q | 86.2 | Confident | 86.4 | Confident | 130 Ų | 130 | 67.5 Ų | 67.5 | 61% | 0.607 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.3 | -43.5 | 179.1 | -176 | 179.8 | -4.1 | 0 | 0 | 112.2 | A80 Q81 A88 | A80-Q84 WeakPolarHBondContact O-CB 3.04Å; A80-Q84 PolarHBondContact O-N 2.96Å; Q81-Q84 PolarHBondContact O-N 2.89Å; Q84-A88 WeakPolarHBondContact O-CB 3.46Å; Q84-A88 PolarHBondContact O-N 3.48Å |
| 85 | L | 88 | Confident | 87.8 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 175.6 | 180 | 52.9 | 0 | 0 | 0 | 112 | Q81 T82 K83 D87 A88 V89 L182 L230 I234 F237 | Q81-L85 PolarHBondContact O-N 3.3Å; T82-L85 PolarHBondContact O-N 3.11Å; K83-L85 VanDerWaalsContact C-N 3.34Å; K83-L85 PolarHBondContact O-N 3.05Å; L85-D87 VanDerWaalsContact C-N 3.34Å; L85-D87 PolarHBondContact O-N 3.43Å; L85-A88 PolarHBondContact O-N 3.41Å; L85-V89 HydrophobicContact CD1-CG2 3.84Å; L85-V89 HydrophobicContact CG-CG2 4.33Å; L85-V89 WeakPolarHBondContact O-CG2 3.07Å; L85-V89 PolarHBondContact O-N 3.38Å; L85-L182 HydrophobicContact CB-CD2 4.1Å; L85-L182 HydrophobicContact CD2-CD1 4.43Å; L85-L182 HydrophobicContact CD2-CD2 3.63Å; L85-L182 HydrophobicContact CD2-CG 3.93Å; L85-L182 HydrophobicContact CG-CD1 4.11Å; L85-L182 HydrophobicContact CG-CD2 3.84Å; L85-L182 HydrophobicContact CG-CG 4.13Å; L85-L230 HydrophobicContact CD2-CD1 3.36Å; L85-L230 HydrophobicContact CD2-CD2 4.47Å; L85-L230 HydrophobicContact CD2-CG 3.82Å; L85-I234 HydrophobicContact CB-CD1 3.85Å; L85-I234 HydrophobicContact CB-CG1 3.72Å; L85-I234 HydrophobicContact CD1-CG1 3.83Å; L85-I234 HydrophobicContact CD2-CD1 4.11Å; L85-I234 HydrophobicContact CD2-CG1 3.45Å; L85-I234 VanDerWaalsContact CD2-CG1 3.45Å; L85-I234 HydrophobicContact CG-CD1 4.43Å; L85-I234 HydrophobicContact CG-CG1 3.8Å; L85-F237 HydrophobicContact CD1-CD1 4.21Å |
| 86 | Q | 91.6 | Very high | 89.2 | Confident | 93 Ų | 93 | 66.3 Ų | 66.3 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 176.6 | -174.4 | 167.4 | 12.2 | 0 | 0 | 111.6 | T82 K83 V89 T90 L182 | T82-Q86 WeakPolarHBondContact O-CB 3.38Å; T82-Q86 PolarHBondContact O-N 3.19Å; K83-Q86 WeakPolarHBondContact O-CB 3.4Å; K83-Q86 PolarHBondContact O-N 3.47Å; K83-Q86 VanDerWaalsContact O-N 3.14Å; Q86-V89 PolarHBondContact O-N 2.81Å; Q86-T90 WeakPolarHBondContact O-CB 3.16Å; Q86-T90 PolarHBondContact O-N 3.4Å; Q86-T90 PolarHBondContact O-OG1 3.48Å; Q86-L182 HydrophobicContact CB-CD1 4.38Å |
| 87 | D | 92.4 | Very high | 90.3 | Very high | 76 Ų | 76 | 63.8 Ų | 63.8 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.1 | -66.3 | -18.6 | 0 | 0 | 0 | 110.6 | K83 L85 T90 N91 | K83-D87 VanDerWaalsContact O-CG 3.28Å; K83-D87 PolarHBondContact O-N 2.74Å; L85-D87 VanDerWaalsContact C-N 3.34Å; L85-D87 PolarHBondContact O-N 3.43Å; D87-T90 PolarHBondContact O-N 2.92Å; D87-N91 WeakPolarHBondContact O-CB 3.49Å; D87-N91 PolarHBondContact O-N 2.61Å; D87-N91 PolarHBondContact O-ND2 2.93Å |
| 88 | A | 92.3 | Very high | 91.3 | Very high | 16 Ų | 16 | 62 Ų | 62 | 13% | 0.132 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q84 L85 N91 V92 F237 | Q84-A88 WeakPolarHBondContact O-CB 3.46Å; Q84-A88 PolarHBondContact O-N 3.48Å; L85-A88 PolarHBondContact O-N 3.41Å; A88-N91 PolarHBondContact O-N 3.48Å; A88-V92 VanDerWaalsContact O-CG2 3.3Å; A88-V92 WeakPolarHBondContact O-CG2 3.39Å; A88-V92 PolarHBondContact O-N 3.06Å; A88-F237 HydrophobicContact CB-CE1 4.47Å |
| 89 | V | 94.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64 | -42.4 | 177.4 | 172 | 0 | 0 | 0 | 0 | 110.8 | L85 Q86 V92 E93 V175 K178 R179 L182 F237 | L85-V89 HydrophobicContact CD1-CG2 3.84Å; L85-V89 HydrophobicContact CG-CG2 4.33Å; L85-V89 WeakPolarHBondContact O-CG2 3.07Å; L85-V89 PolarHBondContact O-N 3.38Å; Q86-V89 PolarHBondContact O-N 2.81Å; V89-V92 PolarHBondContact O-N 3.24Å; V89-E93 WeakPolarHBondContact O-CB 3.35Å; V89-E93 PolarHBondContact O-N 2.88Å; V89-V175 HydrophobicContact CG1-CG1 3.81Å; V89-K178 HydrophobicContact CG1-CB 4.49Å; V89-K178 HydrophobicContact CG2-CB 3.85Å; V89-R179 HydrophobicContact CG1-CG 4.45Å; V89-L182 HydrophobicContact CB-CD1 4.41Å; V89-L182 HydrophobicContact CG2-CD1 4.06Å; V89-F237 HydrophobicContact CG2-CE1 4.04Å; V89-F237 HydrophobicContact CG2-CZ 4.27Å |
| 90 | T | 95.9 | Very high | 93.3 | Very high | 71 Ų | 71 | 58.9 Ų | 58.9 | 44% | 0.436 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 178.5 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | Q86 D87 E93 K94 | Q86-T90 WeakPolarHBondContact O-CB 3.16Å; Q86-T90 PolarHBondContact O-N 3.4Å; Q86-T90 PolarHBondContact O-OG1 3.48Å; D87-T90 PolarHBondContact O-N 2.92Å; T90-E93 PolarHBondContact O-N 2.89Å; T90-K94 PolarHBondContact O-N 3.44Å |
| 91 | N | 96.6 | Very high | 94 | Very high | 91 Ų | 91 | 62.9 Ų | 62.9 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 177.9 | -73 | -21.4 | 0 | 0 | 0 | 112 | D87 A88 H95 | D87-N91 WeakPolarHBondContact O-CB 3.49Å; D87-N91 PolarHBondContact O-N 2.61Å; D87-N91 PolarHBondContact O-ND2 2.93Å; A88-N91 PolarHBondContact O-N 3.48Å; N91-H95 PolarHBondContact O-CD2 3.2Å; N91-H95 PolarHBondContact O-N 3.05Å |
| 92 | V | 97.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.03 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.8 | -47 | 175.6 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | A88 V89 K94 F96 Y171 V175 F237 K241 | A88-V92 VanDerWaalsContact O-CG2 3.3Å; A88-V92 WeakPolarHBondContact O-CG2 3.39Å; A88-V92 PolarHBondContact O-N 3.06Å; V89-V92 PolarHBondContact O-N 3.24Å; V92-K94 VanDerWaalsContact C-N 3.33Å; V92-K94 PolarHBondContact O-N 2.8Å; V92-F96 HydrophobicContact CG1-CB 4.45Å; V92-F96 HydrophobicContact CG1-CD1 4.17Å; V92-F96 HydrophobicContact CG1-CD2 4.3Å; V92-F96 HydrophobicContact CG1-CG 4.05Å; V92-F96 WeakPolarHBondContact O-CB 3.31Å; V92-F96 PolarHBondContact O-N 2.89Å; V92-Y171 HydrophobicContact CG1-CD1 3.59Å; V92-Y171 HydrophobicContact CG1-CE1 4Å; V92-V175 HydrophobicContact CG1-CG2 3.88Å; V92-F237 HydrophobicContact CB-CZ 3.95Å; V92-F237 HydrophobicContact CG1-CZ 4Å; V92-F237 HydrophobicContact CG2-CE1 3.99Å; V92-F237 HydrophobicContact CG2-CZ 3.79Å; V92-K241 HydrophobicContact CG2-CD 3.42Å; V92-K241 VanDerWaalsContact CG2-CD 3.42Å; V92-K241 HydrophobicContact CG2-CG 4.22Å |
| 93 | E | 96.9 | Very high | 95.5 | Very high | 83 Ų | 83 | 66.8 Ų | 66.8 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -53.8 | -50.7 | 177.4 | -178.1 | 172.9 | -166.1 | 0 | 0 | 112.3 | V89 T90 G97 V175 R179 | V89-E93 WeakPolarHBondContact O-CB 3.35Å; V89-E93 PolarHBondContact O-N 2.88Å; T90-E93 PolarHBondContact O-N 2.89Å; E93-G97 WeakPolarHBondContact O-CA 3.49Å; E93-G97 PolarHBondContact O-N 3.33Å; E93-V175 HydrophobicContact CB-CG1 3.7Å; E93-V175 HydrophobicContact CB-CG2 4.36Å; E93-V175 HydrophobicContact CG-CG1 4Å; E93-R179 IonicContact OE1-CZ 3.54Å; E93-R179 IonicContact OE1-NH1 3.25Å; E93-R179 IonicContact OE1-NH2 3.15Å; E93-R179 PolarHBondContact OE1-NH2 2.78Å; E93-R179 IonicContact OE2-CZ 3.94Å; E93-R179 VanDerWaalsContact OE2-CZ 3.25Å; E93-R179 IonicContact OE2-NE 3.49Å; E93-R179 PolarHBondContact OE2-NE 3.43Å; E93-R179 IonicContact OE2-NH2 3.97Å; E93-R179 PolarHBondContact OE2-NH2 3.41Å |
| 94 | K | 97.9 | Very high | 96 | Very high | 117 Ų | 117 | 61.6 Ų | 61.6 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.6 | -61.1 | -179.3 | 179.9 | 179.9 | 177 | 179.6 | 0 | 110.7 | T90 V92 G97 E98 | T90-K94 PolarHBondContact O-N 3.44Å; V92-K94 VanDerWaalsContact C-N 3.33Å; V92-K94 PolarHBondContact O-N 2.8Å; K94-G97 PolarHBondContact O-N 3.1Å; K94-E98 WeakPolarHBondContact CE-OE1 3.3Å; K94-E98 WeakPolarHBondContact CG-OE1 3.42Å; K94-E98 WeakPolarHBondContact O-CG 3.11Å; K94-E98 PolarHBondContact O-N 3.49Å |
| 95 | H | 98.4 | Very high | 96.6 | Very high | 89 Ų | 89 | 57 Ų | 57 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74.4 | -35.4 | -169.3 | -68.1 | -52.7 | 0 | 0 | 0 | 113.1 | N91 G97 E98 L99 | N91-H95 PolarHBondContact O-CD2 3.2Å; N91-H95 PolarHBondContact O-N 3.05Å; H95-G97 VanDerWaalsContact C-N 3.32Å; H95-E98 IonicContact CE1-OE2 3.83Å; H95-E98 IonicContact ND1-OE2 2.74Å; H95-E98 PolarHBondContact ND1-OE2 2.99Å; H95-E98 VanDerWaalsContact ND1-OE2 3.13Å; H95-E98 PolarHBondContact O-N 3.27Å; H95-L99 VanDerWaalsContact O-CB 3.31Å; H95-L99 WeakPolarHBondContact O-CB 3.23Å; H95-L99 WeakPolarHBondContact O-CG 3.39Å; H95-L99 PolarHBondContact O-N 2.93Å |
| 96 | F | 98.4 | Very high | 97.1 | Very high | 14 Ų | 14 | 61.1 Ų | 61.1 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.2 | -30.9 | 175.9 | -76.8 | 40.7 | 0 | 0 | 0 | 110.7 | V92 C100 L168 Y171 K241 I245 | V92-F96 HydrophobicContact CG1-CB 4.45Å; V92-F96 HydrophobicContact CG1-CD1 4.17Å; V92-F96 HydrophobicContact CG1-CD2 4.3Å; V92-F96 HydrophobicContact CG1-CG 4.05Å; V92-F96 WeakPolarHBondContact O-CB 3.31Å; V92-F96 PolarHBondContact O-N 2.89Å; F96-C100 WeakPolarHBondContact O-CB 3.39Å; F96-C100 PolarHBondContact O-N 3.36Å; F96-L168 HydrophobicContact CB-CD2 4.44Å; F96-L168 HydrophobicContact CD2-CD2 3.9Å; F96-L168 HydrophobicContact CE2-CD2 4.41Å; F96-L168 HydrophobicContact CG-CD2 4.27Å; F96-Y171 AromaticContact CD2-CD1 3.57Å; F96-Y171 HydrophobicContact CD2-CD1 3.57Å; F96-Y171 AromaticContact CD2-CD2 3.64Å; F96-Y171 HydrophobicContact CD2-CD2 3.64Å; F96-Y171 AromaticContact CD2-CE1 3.92Å; F96-Y171 HydrophobicContact CD2-CE1 3.92Å; F96-Y171 HydrophobicContact CD2-CE2 4.02Å; F96-Y171 AromaticContact CD2-CG 3.42Å; F96-Y171 HydrophobicContact CD2-CG 3.42Å; F96-Y171 VanDerWaalsContact CD2-CG 3.42Å; F96-Y171 AromaticContact CE2-CD1 3.82Å; F96-Y171 HydrophobicContact CE2-CD1 3.82Å; F96-Y171 AromaticContact CE2-CD2 3.83Å; F96-Y171 HydrophobicContact CE2-CD2 3.83Å; F96-Y171 AromaticContact CE2-CE1 3.65Å; F96-Y171 HydrophobicContact CE2-CE1 3.65Å; F96-Y171 AromaticContact CE2-CE2 3.69Å; F96-Y171 HydrophobicContact CE2-CE2 3.69Å; F96-Y171 AromaticContact CE2-CG 3.92Å; F96-Y171 HydrophobicContact CE2-CG 3.92Å; F96-Y171 AromaticContact CE2-CZ 3.6Å; F96-Y171 HydrophobicContact CG-CD1 4.42Å; F96-Y171 HydrophobicContact CG-CG 4.41Å; F96-Y171 HydrophobicContact CZ-CE1 4.48Å; F96-K241 HydrophobicContact CE1-CG 4.43Å; F96-K241 HydrophobicContact CZ-CG 3.94Å; F96-I245 HydrophobicContact CZ-CB 4.44Å |
| 97 | G | 98.3 | Very high | 97.5 | Very high | 31 Ų | 31 | 56.9 Ų | 56.9 | 32% | 0.32 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -51.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E93 K94 H95 C100 Q101 | E93-G97 WeakPolarHBondContact O-CA 3.49Å; E93-G97 PolarHBondContact O-N 3.33Å; K94-G97 PolarHBondContact O-N 3.1Å; H95-G97 VanDerWaalsContact C-N 3.32Å; G97-C100 WeakPolarHBondContact O-CB 3.49Å; G97-C100 PolarHBondContact O-N 3.07Å; G97-Q101 WeakPolarHBondContact O-CG 3.2Å; G97-Q101 PolarHBondContact O-N 3.48Å |
| 98 | E | 98.7 | Very high | 97.8 | Very high | 78 Ų | 78 | 60.4 Ų | 60.4 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 175.9 | -72.6 | 166 | 178 | 0 | 0 | 111.4 | K94 H95 C100 Q101 I102 | K94-E98 WeakPolarHBondContact CE-OE1 3.3Å; K94-E98 WeakPolarHBondContact CG-OE1 3.42Å; K94-E98 WeakPolarHBondContact O-CG 3.11Å; K94-E98 PolarHBondContact O-N 3.49Å; H95-E98 IonicContact CE1-OE2 3.83Å; H95-E98 IonicContact ND1-OE2 2.74Å; H95-E98 PolarHBondContact ND1-OE2 2.99Å; H95-E98 VanDerWaalsContact ND1-OE2 3.13Å; H95-E98 PolarHBondContact O-N 3.27Å; E98-C100 VanDerWaalsContact C-N 3.34Å; E98-C100 PolarHBondContact O-N 3.19Å; E98-Q101 PolarHBondContact O-N 3.45Å; E98-I102 WeakPolarHBondContact O-CG1 3.45Å; E98-I102 PolarHBondContact O-N 3.07Å |
| 99 | L | 98.7 | Very high | 98.1 | Very high | 63 Ų | 63 | 66.7 Ų | 66.7 | 33% | 0.33 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 176.6 | -74.2 | 170.5 | 0 | 0 | 0 | 111.7 | H95 Q101 I102 F103 L168 | H95-L99 VanDerWaalsContact O-CB 3.31Å; H95-L99 WeakPolarHBondContact O-CB 3.23Å; H95-L99 WeakPolarHBondContact O-CG 3.39Å; H95-L99 PolarHBondContact O-N 2.93Å; L99-Q101 VanDerWaalsContact C-N 3.32Å; L99-Q101 PolarHBondContact O-N 2.85Å; L99-I102 PolarHBondContact O-N 2.81Å; L99-F103 HydrophobicContact CB-CD2 4.41Å; L99-F103 HydrophobicContact CD2-CE2 4.19Å; L99-F103 WeakPolarHBondContact O-CB 3.41Å; L99-F103 VanDerWaalsContact O-CD2 3.28Å; L99-F103 WeakPolarHBondContact O-CD2 3.35Å; L99-F103 PolarHBondContact O-N 2.71Å; L99-L168 HydrophobicContact CB-CD1 4.15Å; L99-L168 HydrophobicContact CB-CD2 4.35Å |
| 100 | C | 98.7 | Very high | 98.3 | Very high | 22 Ų | 22 | 67.3 Ų | 67.3 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 178.2 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | F96 G97 E98 A104 L168 | F96-C100 WeakPolarHBondContact O-CB 3.39Å; F96-C100 PolarHBondContact O-N 3.36Å; G97-C100 WeakPolarHBondContact O-CB 3.49Å; G97-C100 PolarHBondContact O-N 3.07Å; E98-C100 VanDerWaalsContact C-N 3.34Å; E98-C100 PolarHBondContact O-N 3.19Å; C100-A104 WeakPolarHBondContact O-CB 3.49Å; C100-A104 PolarHBondContact O-N 3.25Å; C100-L168 HydrophobicContact CB-CB 3.84Å |
| 101 | Q | 98.6 | Very high | 98.4 | Very high | 142 Ų | 142 | 64.9 Ų | 64.9 | 66% | 0.664 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.8 | -46.2 | 178.8 | -71.5 | 175.9 | -9 | 0 | 0 | 111.6 | G97 E98 L99 A104 A105 | G97-Q101 WeakPolarHBondContact O-CG 3.2Å; G97-Q101 PolarHBondContact O-N 3.48Å; E98-Q101 PolarHBondContact O-N 3.45Å; L99-Q101 VanDerWaalsContact C-N 3.32Å; L99-Q101 PolarHBondContact O-N 2.85Å; Q101-A104 PolarHBondContact O-N 3.08Å; Q101-A105 WeakPolarHBondContact O-CB 3.48Å; Q101-A105 PolarHBondContact O-N 3.3Å |
| 102 | I | 98.8 | Very high | 98.5 | Very high | 112 Ų | 112 | 67.5 Ų | 67.5 | 57% | 0.574 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64 | -47.4 | 179.9 | -66.8 | 166.7 | 0 | 0 | 0 | 110.6 | E98 L99 A105 Y106 | E98-I102 WeakPolarHBondContact O-CG1 3.45Å; E98-I102 PolarHBondContact O-N 3.07Å; L99-I102 PolarHBondContact O-N 2.81Å; I102-A105 PolarHBondContact O-N 2.84Å; I102-Y106 WeakPolarHBondContact O-CB 2.87Å; I102-Y106 PolarHBondContact O-N 2.94Å |
| 103 | F | 98.9 | Very high | 98.6 | Very high | 29 Ų | 29 | 71.7 Ų | 71.7 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 177.9 | -83.5 | -66.9 | 0 | 0 | 0 | 112.4 | L99 A105 Y106 V107 V164 V165 L168 L249 F252 | L99-F103 HydrophobicContact CB-CD2 4.41Å; L99-F103 HydrophobicContact CD2-CE2 4.19Å; L99-F103 WeakPolarHBondContact O-CB 3.41Å; L99-F103 VanDerWaalsContact O-CD2 3.28Å; L99-F103 WeakPolarHBondContact O-CD2 3.35Å; L99-F103 PolarHBondContact O-N 2.71Å; F103-A105 VanDerWaalsContact C-N 3.31Å; F103-A105 PolarHBondContact O-N 3.07Å; F103-Y106 WeakPolarHBondContact O-CB 3.41Å; F103-Y106 PolarHBondContact O-N 3.37Å; F103-V107 WeakPolarHBondContact O-CG2 3.36Å; F103-V107 PolarHBondContact O-N 2.87Å; F103-V164 HydrophobicContact CB-CG1 4.23Å; F103-V164 HydrophobicContact CD1-CG1 3.72Å; F103-V164 HydrophobicContact CD2-CG1 3.97Å; F103-V164 HydrophobicContact CE1-CG1 4Å; F103-V164 HydrophobicContact CE2-CG1 4.23Å; F103-V164 HydrophobicContact CG-CG1 3.72Å; F103-V164 HydrophobicContact CZ-CG1 4.24Å; F103-V165 HydrophobicContact CB-CG2 4.16Å; F103-L168 HydrophobicContact CB-CD1 4.45Å; F103-L168 HydrophobicContact CD2-CD1 3.61Å; F103-L168 HydrophobicContact CE2-CD1 4.29Å; F103-L168 HydrophobicContact CG-CD1 4.37Å; F103-L249 HydrophobicContact CZ-CD2 4.33Å; F103-F252 HydrophobicContact CD1-CD2 4.4Å; F103-F252 HydrophobicContact CD1-CE2 4.49Å; F103-F252 HydrophobicContact CE1-CD1 4.42Å; F103-F252 AromaticContact CE1-CD2 3.73Å; F103-F252 HydrophobicContact CE1-CD2 3.73Å; F103-F252 AromaticContact CE1-CE2 3.85Å; F103-F252 HydrophobicContact CE1-CE2 3.85Å; F103-F252 HydrophobicContact CE1-CG 4.04Å; F103-F252 HydrophobicContact CE1-CZ 4.25Å |
| 104 | A | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 69.9 Ų | 69.9 | 22% | 0.223 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | C100 Q101 R108 V165 | C100-A104 WeakPolarHBondContact O-CB 3.49Å; C100-A104 PolarHBondContact O-N 3.25Å; Q101-A104 PolarHBondContact O-N 3.08Å; A104-R108 WeakPolarHBondContact O-CG 3.46Å; A104-R108 PolarHBondContact O-N 3.43Å; A104-R108 VanDerWaalsContact O-N 3.12Å; A104-R108 PolarHBondContact O-NE 3.36Å; A104-V165 HydrophobicContact CB-CG1 3.99Å; A104-V165 HydrophobicContact CB-CG2 4.5Å |
| 105 | A | 98.8 | Very high | 98.7 | Very high | 32 Ų | 32 | 67.8 Ų | 67.8 | 26% | 0.264 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | Q101 I102 F103 R108 K109 | Q101-A105 WeakPolarHBondContact O-CB 3.48Å; Q101-A105 PolarHBondContact O-N 3.3Å; I102-A105 PolarHBondContact O-N 2.84Å; F103-A105 VanDerWaalsContact C-N 3.31Å; F103-A105 PolarHBondContact O-N 3.07Å; A105-R108 PolarHBondContact O-N 3.41Å; A105-K109 WeakPolarHBondContact O-CG 3.25Å; A105-K109 PolarHBondContact O-N 3.1Å |
| 106 | Y | 98.9 | Very high | 98.7 | Very high | 91 Ų | 91 | 70.2 Ų | 70.2 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.4 | -52.4 | 174.7 | -179.8 | -88.2 | 0 | 0 | 0 | 111.2 | I102 F103 R108 K109 T110 L160 F252 E256 | I102-Y106 WeakPolarHBondContact O-CB 2.87Å; I102-Y106 PolarHBondContact O-N 2.94Å; F103-Y106 WeakPolarHBondContact O-CB 3.41Å; F103-Y106 PolarHBondContact O-N 3.37Å; Y106-R108 PolarHBondContact O-N 3.06Å; Y106-K109 WeakPolarHBondContact O-CB 3.49Å; Y106-K109 PolarHBondContact O-N 2.95Å; Y106-K109 VanDerWaalsContact O-N 3.09Å; Y106-T110 PolarHBondContact O-N 3.26Å; Y106-T110 PolarHBondContact O-OG1 3.13Å; Y106-L160 HydrophobicContact CD1-CD1 4.28Å; Y106-L160 HydrophobicContact CE1-CD1 3.91Å; Y106-F252 HydrophobicContact CE1-CE2 4.09Å; Y106-E256 WeakPolarHBondContact CE1-OE1 3.41Å; Y106-E256 PolarHBondContact OH-OE1 3.4Å; Y106-E256 PolarHBondContact OH-OE2 2.84Å |
| 107 | V | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59 | -44.4 | 178.6 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | F103 K109 T110 A111 V157 L160 E161 V165 | F103-V107 WeakPolarHBondContact O-CG2 3.36Å; F103-V107 PolarHBondContact O-N 2.87Å; V107-K109 VanDerWaalsContact C-N 3.35Å; V107-K109 PolarHBondContact O-N 3.36Å; V107-T110 PolarHBondContact O-N 2.92Å; V107-A111 PolarHBondContact O-N 2.86Å; V107-V157 HydrophobicContact CG1-CB 4.49Å; V107-V157 HydrophobicContact CG1-CG1 3.79Å; V107-L160 HydrophobicContact CG2-CB 3.49Å; V107-L160 VanDerWaalsContact CG2-CB 3.49Å; V107-L160 HydrophobicContact CG2-CD1 4.12Å; V107-L160 HydrophobicContact CG2-CG 4.44Å; V107-E161 HydrophobicContact CG1-CB 4.35Å; V107-V165 HydrophobicContact CG2-CG2 4.02Å |
| 108 | R | 98.8 | Very high | 98.7 | Very high | 151 Ų | 151 | 71 Ų | 71 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.4 | -40.5 | 175.1 | -74.1 | -175.9 | -67.3 | 158.8 | -0.3 | 112.3 | A104 A105 Y106 A111 R112 | A104-R108 WeakPolarHBondContact O-CG 3.46Å; A104-R108 PolarHBondContact O-N 3.43Å; A104-R108 VanDerWaalsContact O-N 3.12Å; A104-R108 PolarHBondContact O-NE 3.36Å; A105-R108 PolarHBondContact O-N 3.41Å; Y106-R108 PolarHBondContact O-N 3.06Å; R108-A111 PolarHBondContact O-N 3.47Å; R108-R112 WeakPolarHBondContact O-CG 3.36Å; R108-R112 PolarHBondContact O-N 3.26Å |
| 109 | K | 98.8 | Very high | 98.7 | Very high | 148 Ų | 148 | 72.2 Ų | 72.2 | 64% | 0.643 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65 | -38.7 | 175.4 | -75.2 | -174.8 | 177.9 | -170.5 | 0 | 111.6 | A105 Y106 V107 R112 L113 | A105-K109 WeakPolarHBondContact O-CG 3.25Å; A105-K109 PolarHBondContact O-N 3.1Å; Y106-K109 WeakPolarHBondContact O-CB 3.49Å; Y106-K109 PolarHBondContact O-N 2.95Å; Y106-K109 VanDerWaalsContact O-N 3.09Å; V107-K109 VanDerWaalsContact C-N 3.35Å; V107-K109 PolarHBondContact O-N 3.36Å; K109-R112 PolarHBondContact O-N 3.13Å; K109-L113 PolarHBondContact O-N 2.98Å |
| 110 | T | 98.7 | Very high | 98.7 | Very high | 15 Ų | 15 | 73.9 Ų | 73.9 | 9% | 0.092 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | 174.3 | -56.1 | 0 | 0 | 0 | 0 | 112 | Y106 V107 L113 R114 R153 V157 | Y106-T110 PolarHBondContact O-N 3.26Å; Y106-T110 PolarHBondContact O-OG1 3.13Å; V107-T110 PolarHBondContact O-N 2.92Å; T110-L113 WeakPolarHBondContact O-CB 3.35Å; T110-L113 PolarHBondContact O-N 3.19Å; T110-R114 PolarHBondContact O-N 3.12Å; T110-R114 VanDerWaalsContact O-N 3.14Å; T110-R153 HydrophobicContact CG2-CG 3.9Å; T110-V157 HydrophobicContact CG2-CG2 3.78Å |
| 111 | A | 98.8 | Very high | 98.7 | Very high | 20 Ų | 20 | 73.3 Ų | 73.3 | 17% | 0.165 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.1 | -45 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | V107 R108 L113 R114 D115 V157 | V107-A111 PolarHBondContact O-N 2.86Å; R108-A111 PolarHBondContact O-N 3.47Å; A111-L113 VanDerWaalsContact C-N 3.27Å; A111-L113 PolarHBondContact O-N 2.98Å; A111-R114 WeakPolarHBondContact O-CA 3.23Å; A111-R114 VanDerWaalsContact O-CB 3.24Å; A111-R114 WeakPolarHBondContact O-CB 3.21Å; A111-R114 PolarHBondContact O-N 3.02Å; A111-D115 PolarHBondContact O-N 3.3Å; A111-V157 HydrophobicContact CB-CG1 4.14Å; A111-V157 HydrophobicContact CB-CG2 4.11Å |
| 112 | R | 98.8 | Very high | 98.7 | Very high | 145 Ų | 145 | 71.1 Ų | 71.1 | 55% | 0.547 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -34.7 | 175.6 | -71.8 | 175.5 | 178.4 | -172.6 | -2.7 | 112.7 | R108 K109 R114 D115 K116 | R108-R112 WeakPolarHBondContact O-CG 3.36Å; R108-R112 PolarHBondContact O-N 3.26Å; K109-R112 PolarHBondContact O-N 3.13Å; R112-R114 VanDerWaalsContact C-N 3.34Å; R112-D115 PolarHBondContact O-N 3.36Å; R112-K116 PolarHBondContact O-N 3.07Å; R112-K116 VanDerWaalsContact O-N 3.12Å |
| 113 | L | 98.7 | Very high | 98.7 | Very high | 93 Ų | 93 | 71.7 Ų | 71.7 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 174.3 | 179.4 | 64.3 | 0 | 0 | 0 | 111.6 | K109 T110 A111 K116 A117 | K109-L113 PolarHBondContact O-N 2.98Å; T110-L113 WeakPolarHBondContact O-CB 3.35Å; T110-L113 PolarHBondContact O-N 3.19Å; A111-L113 VanDerWaalsContact C-N 3.27Å; A111-L113 PolarHBondContact O-N 2.98Å; L113-K116 PolarHBondContact O-N 3.39Å; L113-A117 PolarHBondContact O-N 2.91Å |
| 114 | R | 98.6 | Very high | 98.7 | Very high | 46 Ų | 46 | 72.2 Ų | 72.2 | 17% | 0.174 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.3 | -49.6 | 172.3 | -172.6 | -153.9 | 61 | -121.1 | 1.5 | 110.8 | T110 A111 R112 K116 A117 D118 Q150 R153 | T110-R114 PolarHBondContact O-N 3.12Å; T110-R114 VanDerWaalsContact O-N 3.14Å; A111-R114 WeakPolarHBondContact O-CA 3.23Å; A111-R114 VanDerWaalsContact O-CB 3.24Å; A111-R114 WeakPolarHBondContact O-CB 3.21Å; A111-R114 PolarHBondContact O-N 3.02Å; R112-R114 VanDerWaalsContact C-N 3.34Å; R114-K116 VanDerWaalsContact C-N 3.27Å; R114-K116 PolarHBondContact O-N 3.49Å; R114-A117 CarbonylContact O-C 3.56Å; R114-A117 WeakPolarHBondContact O-CA 3.48Å; R114-A117 WeakPolarHBondContact O-CB 3.38Å; R114-A117 PolarHBondContact O-N 2.93Å; R114-D118 IonicContact NE-OD2 2.64Å; R114-D118 PolarHBondContact O-N 2.93Å; R114-Q150 HydrophobicContact CG-CB 3.68Å; R114-Q150 HydrophobicContact CG-CG 4.14Å; R114-R153 HydrophobicContact CB-CG 4.12Å |
| 115 | D | 98.6 | Very high | 98.7 | Very high | 73 Ų | 73 | 72.9 Ų | 72.9 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.2 | -39.5 | -179.1 | -58.7 | -32 | 0 | 0 | 0 | 112.1 | A111 R112 D118 L119 | A111-D115 PolarHBondContact O-N 3.3Å; R112-D115 PolarHBondContact O-N 3.36Å; D115-D118 PolarHBondContact O-N 3.42Å; D115-L119 PolarHBondContact O-N 3.38Å |
| 116 | K | 98.7 | Very high | 98.7 | Very high | 140 Ų | 140 | 76.8 Ų | 76.8 | 61% | 0.609 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67.8 | -35.8 | 173.9 | -68 | -58.1 | -175.2 | -173.1 | 0 | 112.8 | R112 L113 R114 D118 L119 L120 | R112-K116 PolarHBondContact O-N 3.07Å; R112-K116 VanDerWaalsContact O-N 3.12Å; L113-K116 PolarHBondContact O-N 3.39Å; R114-K116 VanDerWaalsContact C-N 3.27Å; R114-K116 PolarHBondContact O-N 3.49Å; K116-D118 VanDerWaalsContact C-N 3.35Å; K116-L119 HydrophobicContact CD-CD1 4.17Å; K116-L119 PolarHBondContact O-N 3.25Å; K116-L120 PolarHBondContact O-N 2.81Å; K116-L120 VanDerWaalsContact O-N 3.17Å |
| 117 | A | 98.5 | Very high | 98.7 | Very high | 5 Ų | 5 | 78 Ų | 78 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L113 R114 L119 L120 V121 F146 Q150 | L113-A117 PolarHBondContact O-N 2.91Å; R114-A117 CarbonylContact O-C 3.56Å; R114-A117 WeakPolarHBondContact O-CA 3.48Å; R114-A117 WeakPolarHBondContact O-CB 3.38Å; R114-A117 PolarHBondContact O-N 2.93Å; A117-L119 VanDerWaalsContact C-N 3.31Å; A117-L119 PolarHBondContact O-N 3.2Å; A117-L120 WeakPolarHBondContact O-CB 3.46Å; A117-L120 PolarHBondContact O-N 3.09Å; A117-L120 VanDerWaalsContact O-N 3.09Å; A117-V121 WeakPolarHBondContact O-CG2 3.36Å; A117-V121 PolarHBondContact O-N 3.36Å; A117-F146 HydrophobicContact CB-CE1 3.73Å; A117-F146 HydrophobicContact CB-CZ 3.67Å; A117-Q150 HydrophobicContact CB-CG 3.69Å |
| 118 | D | 98.4 | Very high | 98.6 | Very high | 55 Ų | 55 | 77.9 Ų | 77.9 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 174.7 | -64 | -26.6 | 0 | 0 | 0 | 111.6 | R114 D115 K116 L120 V121 N122 Q150 | R114-D118 IonicContact NE-OD2 2.64Å; R114-D118 PolarHBondContact O-N 2.93Å; D115-D118 PolarHBondContact O-N 3.42Å; K116-D118 VanDerWaalsContact C-N 3.35Å; D118-L120 VanDerWaalsContact C-N 3.35Å; D118-L120 PolarHBondContact O-N 3.17Å; D118-V121 PolarHBondContact O-N 2.76Å; D118-N122 VanDerWaalsContact O-CG 3.31Å; D118-N122 PolarHBondContact O-N 3.36Å; D118-N122 VanDerWaalsContact O-N 3.07Å; D118-N122 PolarHBondContact O-ND2 3.08Å; D118-N122 VanDerWaalsContact O-ND2 3.12Å; D118-Q150 WeakPolarHBondContact OD1-CB 3.36Å; D118-Q150 WeakPolarHBondContact OD1-CG 3.39Å |
| 119 | L | 98.7 | Very high | 98.6 | Very high | 104 Ų | 104 | 73.8 Ų | 73.8 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 172.1 | -64.5 | 179.5 | 0 | 0 | 0 | 112.3 | D115 K116 A117 N122 E123 | D115-L119 PolarHBondContact O-N 3.38Å; K116-L119 HydrophobicContact CD-CD1 4.17Å; K116-L119 PolarHBondContact O-N 3.25Å; A117-L119 VanDerWaalsContact C-N 3.31Å; A117-L119 PolarHBondContact O-N 3.2Å; L119-N122 PolarHBondContact O-N 3.49Å; L119-E123 PolarHBondContact O-N 3.39Å |
| 120 | L | 98.6 | Very high | 98.5 | Very high | 98 Ų | 98 | 71.7 Ų | 71.7 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 176.2 | -69.9 | 173.2 | 0 | 0 | 0 | 111.7 | K116 A117 D118 N122 E123 I124 F146 | K116-L120 PolarHBondContact O-N 2.81Å; K116-L120 VanDerWaalsContact O-N 3.17Å; A117-L120 WeakPolarHBondContact O-CB 3.46Å; A117-L120 PolarHBondContact O-N 3.09Å; A117-L120 VanDerWaalsContact O-N 3.09Å; D118-L120 VanDerWaalsContact C-N 3.35Å; D118-L120 PolarHBondContact O-N 3.17Å; L120-N122 VanDerWaalsContact C-N 3.26Å; L120-N122 PolarHBondContact O-N 3.41Å; L120-E123 PolarHBondContact O-N 3.03Å; L120-I124 WeakPolarHBondContact O-CB 3.48Å; L120-I124 WeakPolarHBondContact O-CG1 3.39Å; L120-I124 PolarHBondContact O-N 3.43Å; L120-F146 HydrophobicContact CB-CE1 4.13Å; L120-F146 HydrophobicContact CD1-CE1 4.25Å |
| 121 | V | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 73.7 Ų | 73.7 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -55 | -45.5 | 175.2 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | A117 D118 N125 A143 F146 A147 | A117-V121 WeakPolarHBondContact O-CG2 3.36Å; A117-V121 PolarHBondContact O-N 3.36Å; D118-V121 PolarHBondContact O-N 2.76Å; V121-N125 WeakPolarHBondContact O-CB 3.21Å; V121-N125 PolarHBondContact O-N 2.85Å; V121-N125 PolarHBondContact O-ND2 3.29Å; V121-N125 VanDerWaalsContact O-ND2 3.08Å; V121-A143 HydrophobicContact CG1-CB 4.32Å; V121-F146 HydrophobicContact CG2-CB 4.21Å; V121-F146 HydrophobicContact CG2-CD1 3.54Å; V121-F146 HydrophobicContact CG2-CE1 4.35Å; V121-F146 HydrophobicContact CG2-CG 4.24Å; V121-A147 HydrophobicContact CG1-CB 4.01Å; V121-A147 HydrophobicContact CG2-CB 4.17Å |
| 122 | N | 98.5 | Very high | 98.3 | Very high | 96 Ų | 96 | 74.2 Ų | 74.2 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 179.9 | -71.1 | -33.7 | 0 | 0 | 0 | 112.2 | D118 L119 L120 I124 N125 L126 | D118-N122 VanDerWaalsContact O-CG 3.31Å; D118-N122 PolarHBondContact O-N 3.36Å; D118-N122 VanDerWaalsContact O-N 3.07Å; D118-N122 PolarHBondContact O-ND2 3.08Å; D118-N122 VanDerWaalsContact O-ND2 3.12Å; L119-N122 PolarHBondContact O-N 3.49Å; L120-N122 VanDerWaalsContact C-N 3.26Å; L120-N122 PolarHBondContact O-N 3.41Å; N122-I124 PolarHBondContact O-N 3.25Å; N122-N125 PolarHBondContact O-N 3.46Å; N122-L126 WeakPolarHBondContact O-CG 3.44Å; N122-L126 PolarHBondContact O-N 3.42Å |
| 123 | E | 98.8 | Very high | 98.2 | Very high | 124 Ų | 124 | 71 Ų | 71 | 58% | 0.579 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.1 | -39.9 | -179.9 | -170.7 | 61.8 | -160.4 | 0 | 0 | 112 | L119 L120 N125 L126 Y127 | L119-E123 PolarHBondContact O-N 3.39Å; L120-E123 PolarHBondContact O-N 3.03Å; E123-N125 VanDerWaalsContact C-N 3.33Å; E123-N125 PolarHBondContact O-N 3.49Å; E123-L126 WeakPolarHBondContact O-CB 3.45Å; E123-L126 PolarHBondContact O-N 3.03Å; E123-Y127 PolarHBondContact O-N 3.35Å |
| 124 | I | 98.8 | Very high | 98.1 | Very high | 39 Ų | 39 | 68.6 Ų | 68.6 | 20% | 0.2 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.5 | -67.9 | 167.7 | 0 | 0 | 0 | 110.6 | L120 N122 L126 Y127 A128 L139 F142 A143 | L120-I124 WeakPolarHBondContact O-CB 3.48Å; L120-I124 WeakPolarHBondContact O-CG1 3.39Å; L120-I124 PolarHBondContact O-N 3.43Å; N122-I124 PolarHBondContact O-N 3.25Å; I124-L126 VanDerWaalsContact C-N 3.35Å; I124-L126 PolarHBondContact O-N 3.31Å; I124-Y127 PolarHBondContact O-N 3.28Å; I124-A128 VanDerWaalsContact O-CB 3.25Å; I124-A128 WeakPolarHBondContact O-CB 3.29Å; I124-A128 PolarHBondContact O-N 3.35Å; I124-L139 HydrophobicContact CG2-CB 4.15Å; I124-L139 HydrophobicContact CG2-CD2 4.36Å; I124-F142 HydrophobicContact CD1-CD1 3.96Å; I124-F142 HydrophobicContact CD1-CE1 3.59Å; I124-F142 HydrophobicContact CG2-CD1 4.46Å; I124-A143 HydrophobicContact CB-CB 4.41Å; I124-A143 HydrophobicContact CG2-CB 3.98Å |
| 125 | N | 98.6 | Very high | 98.1 | Very high | 42 Ų | 42 | 68.5 Ų | 68.5 | 23% | 0.225 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 176.9 | -86.7 | -50.9 | 0 | 0 | 0 | 113.2 | V121 N122 E123 S129 | V121-N125 WeakPolarHBondContact O-CB 3.21Å; V121-N125 PolarHBondContact O-N 2.85Å; V121-N125 PolarHBondContact O-ND2 3.29Å; V121-N125 VanDerWaalsContact O-ND2 3.08Å; N122-N125 PolarHBondContact O-N 3.46Å; E123-N125 VanDerWaalsContact C-N 3.33Å; E123-N125 PolarHBondContact O-N 3.49Å; N125-S129 PolarHBondContact O-N 3.41Å; N125-S129 PolarHBondContact O-OG 3.34Å |
| 126 | L | 98.6 | Very high | 98.1 | Very high | 113 Ų | 113 | 68.4 Ų | 68.4 | 59% | 0.592 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.6 | -49.4 | 173.8 | -73.3 | 172.4 | 0 | 0 | 0 | 110.6 | N122 E123 I124 S129 | N122-L126 WeakPolarHBondContact O-CG 3.44Å; N122-L126 PolarHBondContact O-N 3.42Å; E123-L126 WeakPolarHBondContact O-CB 3.45Å; E123-L126 PolarHBondContact O-N 3.03Å; I124-L126 VanDerWaalsContact C-N 3.35Å; I124-L126 PolarHBondContact O-N 3.31Å; L126-S129 WeakPolarHBondContact O-CB 3.41Å; L126-S129 PolarHBondContact O-N 2.91Å |
| 127 | Y | 98.7 | Very high | 98.1 | Very high | 117 Ų | 117 | 66.4 Ų | 66.4 | 46% | 0.459 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 178.8 | -178.5 | -127 | 0 | 0 | 0 | 112.3 | E123 I124 S129 T130 E131 L139 | E123-Y127 PolarHBondContact O-N 3.35Å; I124-Y127 PolarHBondContact O-N 3.28Å; Y127-S129 PolarHBondContact O-N 3.34Å; Y127-T130 PolarHBondContact O-N 3.29Å; Y127-T130 PolarHBondContact O-OG1 2.98Å; Y127-E131 HydrophobicContact CD2-CG 4.48Å; Y127-E131 HydrophobicContact CE1-CG 4.09Å; Y127-E131 HydrophobicContact CE2-CG 4.01Å; Y127-E131 WeakPolarHBondContact CE2-OE1 3.49Å; Y127-E131 VanDerWaalsContact OH-CD 3.24Å; Y127-E131 PolarHBondContact OH-OE1 3.17Å; Y127-L139 HydrophobicContact CD1-CD1 3.89Å; Y127-L139 HydrophobicContact CE1-CD1 4.13Å |
| 128 | A | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -53.3 | -32.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I124 T130 E131 K136 L139 K140 | I124-A128 VanDerWaalsContact O-CB 3.25Å; I124-A128 WeakPolarHBondContact O-CB 3.29Å; I124-A128 PolarHBondContact O-N 3.35Å; A128-T130 PolarHBondContact O-N 3.38Å; A128-E131 PolarHBondContact O-N 2.89Å; A128-K136 WeakPolarHBondContact O-CB 3.39Å; A128-K136 WeakPolarHBondContact O-CD 3.36Å; A128-K136 WeakPolarHBondContact O-CG 3.39Å; A128-L139 HydrophobicContact CB-CB 3.61Å; A128-L139 HydrophobicContact CB-CD1 4.11Å; A128-K140 HydrophobicContact CB-CG 4Å |
| 129 | S | 97.6 | Very high | 98.1 | Very high | 66 Ų | 66 | 65 Ų | 65 | 46% | 0.462 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.7 | 179.7 | -61 | 0 | 0 | 0 | 0 | 114.1 | N125 L126 Y127 | N125-S129 PolarHBondContact O-N 3.41Å; N125-S129 PolarHBondContact O-OG 3.34Å; L126-S129 WeakPolarHBondContact O-CB 3.41Å; L126-S129 PolarHBondContact O-N 2.91Å; Y127-S129 PolarHBondContact O-N 3.34Å |
| 130 | T | 97.3 | Very high | 98.1 | Very high | 104 Ų | 104 | 63.2 Ų | 63.2 | 64% | 0.638 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -10.8 | 176.5 | 66.7 | 0 | 0 | 0 | 0 | 113.9 | Y127 A128 | Y127-T130 PolarHBondContact O-N 3.29Å; Y127-T130 PolarHBondContact O-OG1 2.98Å; A128-T130 PolarHBondContact O-N 3.38Å |
| 131 | E | 97.1 | Very high | 98.1 | Very high | 56 Ų | 56 | 61.1 Ų | 61.1 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -93.4 | 168.4 | -171.6 | -68.6 | -53.2 | 139.3 | 0 | 0 | 113.8 | Y127 A128 L135 L139 | Y127-E131 HydrophobicContact CD2-CG 4.48Å; Y127-E131 HydrophobicContact CE1-CG 4.09Å; Y127-E131 HydrophobicContact CE2-CG 4.01Å; Y127-E131 WeakPolarHBondContact CE2-OE1 3.49Å; Y127-E131 VanDerWaalsContact OH-CD 3.24Å; Y127-E131 PolarHBondContact OH-OE1 3.17Å; A128-E131 PolarHBondContact O-N 2.89Å; E131-L135 HydrophobicContact CB-CB 4.23Å; E131-L135 HydrophobicContact CB-CD2 3.89Å; E131-L135 HydrophobicContact CB-CG 3.92Å; E131-L135 HydrophobicContact CG-CD2 3.7Å; E131-L135 HydrophobicContact CG-CG 4.06Å; E131-L135 WeakPolarHBondContact OE2-CD2 3.22Å; E131-L139 HydrophobicContact CG-CD1 4.39Å |
| 132 | T | 96.5 | Very high | 98.1 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | trans | -59.7 | 156 | 173.6 | 43.2 | 0 | 0 | 0 | 0 | 112.2 | N134 L135 K136 D282 V285 | T132-N134 PolarHBondContact O-N 3.2Å; T132-L135 PolarHBondContact O-N 3.34Å; T132-K136 WeakPolarHBondContact O-CB 3.47Å; T132-K136 PolarHBondContact O-N 3.08Å; T132-D282 WeakPolarHBondContact CB-OD1 3.46Å; T132-D282 VanDerWaalsContact CB-OD2 3.3Å; T132-D282 WeakPolarHBondContact CB-OD2 3.36Å; T132-D282 PolarHBondContact OG1-OD2 3.28Å; T132-V285 HydrophobicContact CG2-CG1 4.38Å | ||
| 133 | P | 96.4 | Very high | 98.1 | Very high | 77 Ų | 77 | 58.3 Ų | 58.3 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -53.6 | -44 | -167.4 | -28.6 | 36.5 | 0 | 0 | 0 | 115.6 | Q137 | P133-Q137 WeakPolarHBondContact O-CB 3.05Å; P133-Q137 PolarHBondContact O-N 3.32Å |
| 134 | N | 96.8 | Very high | 98.1 | Very high | 43 Ų | 43 | 57 Ų | 57 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75.8 | -44.2 | -176.6 | -68.1 | -49.8 | 0 | 0 | 0 | 111.8 | T132 K136 Q137 G138 D278 E281 D282 | T132-N134 PolarHBondContact O-N 3.2Å; N134-K136 VanDerWaalsContact C-N 3.34Å; N134-K136 PolarHBondContact O-N 3.1Å; N134-Q137 PolarHBondContact O-N 3.47Å; N134-G138 PolarHBondContact O-N 3.48Å; N134-D278 HydrophobicContact CB-CB 4.45Å; N134-E281 WeakPolarHBondContact ND2-CB 3.49Å; N134-E281 WeakPolarHBondContact ND2-CG 3.25Å; N134-E281 PolarHBondContact ND2-OE2 2.99Å; N134-D282 WeakPolarHBondContact CB-OD1 3.33Å; N134-D282 PolarHBondContact N-OD1 3.23Å; N134-D282 PolarHBondContact N-OD2 3.39Å; N134-D282 PolarHBondContact ND2-OD1 2.92Å |
| 135 | L | 98 | Very high | 98.1 | Very high | 45 Ų | 45 | 57.2 Ų | 57.2 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 174.4 | 178.5 | 56.6 | 0 | 0 | 0 | 111 | E131 T132 Q137 G138 L139 I277 D282 | E131-L135 HydrophobicContact CB-CB 4.23Å; E131-L135 HydrophobicContact CB-CD2 3.89Å; E131-L135 HydrophobicContact CB-CG 3.92Å; E131-L135 HydrophobicContact CG-CD2 3.7Å; E131-L135 HydrophobicContact CG-CG 4.06Å; E131-L135 WeakPolarHBondContact OE2-CD2 3.22Å; T132-L135 PolarHBondContact O-N 3.34Å; L135-Q137 VanDerWaalsContact C-N 3.32Å; L135-Q137 PolarHBondContact O-N 2.89Å; L135-G138 PolarHBondContact O-N 3.33Å; L135-L139 HydrophobicContact CD1-CD1 3.9Å; L135-L139 HydrophobicContact CD1-CD2 4.44Å; L135-L139 HydrophobicContact CD1-CG 3.89Å; L135-L139 HydrophobicContact CG-CD1 3.97Å; L135-L139 HydrophobicContact CG-CG 4.38Å; L135-L139 WeakPolarHBondContact O-CB 3.35Å; L135-L139 VanDerWaalsContact O-CG 3.23Å; L135-L139 WeakPolarHBondContact O-CG 3.34Å; L135-L139 PolarHBondContact O-N 3.08Å; L135-I277 HydrophobicContact CB-CG2 4.46Å; L135-I277 HydrophobicContact CD1-CD1 3.98Å; L135-D282 VanDerWaalsContact CB-OD2 3.23Å; L135-D282 WeakPolarHBondContact CB-OD2 3.47Å; L135-D282 PolarHBondContact N-OD2 2.9Å |
| 136 | K | 98.1 | Very high | 98.1 | Very high | 70 Ų | 70 | 56.5 Ų | 56.5 | 30% | 0.304 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55 | -47.7 | 173.3 | 169.8 | 167.1 | -175.7 | 173.1 | 0 | 111.7 | A128 T132 N134 K140 | A128-K136 WeakPolarHBondContact O-CB 3.39Å; A128-K136 WeakPolarHBondContact O-CD 3.36Å; A128-K136 WeakPolarHBondContact O-CG 3.39Å; T132-K136 WeakPolarHBondContact O-CB 3.47Å; T132-K136 PolarHBondContact O-N 3.08Å; N134-K136 VanDerWaalsContact C-N 3.34Å; N134-K136 PolarHBondContact O-N 3.1Å; K136-K140 HydrophobicContact CG-CD 4.42Å; K136-K140 WeakPolarHBondContact O-CB 3.24Å; K136-K140 VanDerWaalsContact O-CG 3.31Å; K136-K140 WeakPolarHBondContact O-CG 3.35Å; K136-K140 PolarHBondContact O-N 3.01Å; K136-K140 VanDerWaalsContact O-N 3.11Å |
| 137 | Q | 98.3 | Very high | 98.1 | Very high | 98 Ų | 98 | 52.6 Ų | 52.6 | 46% | 0.458 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.6 | -48.7 | -178.9 | -172.4 | 57.5 | 50.3 | 0 | 0 | 111 | P133 N134 L135 L139 K140 D141 | P133-Q137 WeakPolarHBondContact O-CB 3.05Å; P133-Q137 PolarHBondContact O-N 3.32Å; N134-Q137 PolarHBondContact O-N 3.47Å; L135-Q137 VanDerWaalsContact C-N 3.32Å; L135-Q137 PolarHBondContact O-N 2.89Å; Q137-L139 VanDerWaalsContact C-N 3.34Å; Q137-L139 PolarHBondContact O-N 3.49Å; Q137-K140 WeakPolarHBondContact O-CB 3.48Å; Q137-K140 PolarHBondContact O-N 3.25Å; Q137-K140 VanDerWaalsContact O-N 3.13Å; Q137-D141 PolarHBondContact NE2-OD1 3.37Å; Q137-D141 PolarHBondContact NE2-OD2 3.05Å; Q137-D141 VanDerWaalsContact O-CG 3.3Å; Q137-D141 PolarHBondContact O-N 2.71Å |
| 138 | G | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N134 L135 F142 | N134-G138 PolarHBondContact O-N 3.48Å; L135-G138 PolarHBondContact O-N 3.33Å; G138-F142 WeakPolarHBondContact O-CB 3.44Å; G138-F142 PolarHBondContact O-N 3.14Å |
| 139 | L | 98.7 | Very high | 98.1 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67 | -39.2 | 174 | -71.2 | 175.7 | 0 | 0 | 0 | 112.4 | I124 Y127 A128 E131 L135 Q137 A143 I274 | I124-L139 HydrophobicContact CG2-CB 4.15Å; I124-L139 HydrophobicContact CG2-CD2 4.36Å; Y127-L139 HydrophobicContact CD1-CD1 3.89Å; Y127-L139 HydrophobicContact CE1-CD1 4.13Å; A128-L139 HydrophobicContact CB-CB 3.61Å; A128-L139 HydrophobicContact CB-CD1 4.11Å; E131-L139 HydrophobicContact CG-CD1 4.39Å; L135-L139 HydrophobicContact CD1-CD1 3.9Å; L135-L139 HydrophobicContact CD1-CD2 4.44Å; L135-L139 HydrophobicContact CD1-CG 3.89Å; L135-L139 HydrophobicContact CG-CD1 3.97Å; L135-L139 HydrophobicContact CG-CG 4.38Å; L135-L139 WeakPolarHBondContact O-CB 3.35Å; L135-L139 VanDerWaalsContact O-CG 3.23Å; L135-L139 WeakPolarHBondContact O-CG 3.34Å; L135-L139 PolarHBondContact O-N 3.08Å; Q137-L139 VanDerWaalsContact C-N 3.34Å; Q137-L139 PolarHBondContact O-N 3.49Å; L139-A143 WeakPolarHBondContact O-CB 3.4Å; L139-A143 PolarHBondContact O-N 3.31Å; L139-I274 HydrophobicContact CD2-CD1 4.35Å |
| 140 | K | 98.6 | Very high | 98.1 | Very high | 66 Ų | 66 | 47.4 Ų | 47.4 | 29% | 0.287 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.2 | -46.5 | 174.7 | -77.3 | -176.9 | 171.7 | -158.3 | 0 | 111.8 | A128 K136 Q137 F142 A143 D144 | A128-K140 HydrophobicContact CB-CG 4Å; K136-K140 HydrophobicContact CG-CD 4.42Å; K136-K140 WeakPolarHBondContact O-CB 3.24Å; K136-K140 VanDerWaalsContact O-CG 3.31Å; K136-K140 WeakPolarHBondContact O-CG 3.35Å; K136-K140 PolarHBondContact O-N 3.01Å; K136-K140 VanDerWaalsContact O-N 3.11Å; Q137-K140 WeakPolarHBondContact O-CB 3.48Å; Q137-K140 PolarHBondContact O-N 3.25Å; Q137-K140 VanDerWaalsContact O-N 3.13Å; K140-F142 VanDerWaalsContact C-N 3.28Å; K140-F142 PolarHBondContact O-N 3.41Å; K140-A143 WeakPolarHBondContact O-CB 3.46Å; K140-A143 PolarHBondContact O-N 2.93Å; K140-A143 VanDerWaalsContact O-N 3.07Å; K140-D144 PolarHBondContact O-N 3.45Å |
| 141 | D | 98.6 | Very high | 98.2 | Very high | 55 Ų | 55 | 48 Ų | 48 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.5 | -35.1 | 179.1 | -65.7 | -26.7 | 0 | 0 | 0 | 111.5 | Q137 E145 N273 | Q137-D141 PolarHBondContact NE2-OD1 3.37Å; Q137-D141 PolarHBondContact NE2-OD2 3.05Å; Q137-D141 VanDerWaalsContact O-CG 3.3Å; Q137-D141 PolarHBondContact O-N 2.71Å; D141-E145 PolarHBondContact O-N 3.41Å; D141-N273 HydrophobicContact CB-CB 4Å; D141-N273 PolarHBondContact O-ND2 3.05Å; D141-N273 VanDerWaalsContact O-ND2 3.1Å |
| 142 | F | 98.8 | Very high | 98.3 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 21% | 0.211 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 169.3 | 172.5 | -88.5 | 0 | 0 | 0 | 111.8 | I124 G138 K140 D144 E145 F146 A270 I274 | I124-F142 HydrophobicContact CD1-CD1 3.96Å; I124-F142 HydrophobicContact CD1-CE1 3.59Å; I124-F142 HydrophobicContact CG2-CD1 4.46Å; G138-F142 WeakPolarHBondContact O-CB 3.44Å; G138-F142 PolarHBondContact O-N 3.14Å; K140-F142 VanDerWaalsContact C-N 3.28Å; K140-F142 PolarHBondContact O-N 3.41Å; F142-D144 VanDerWaalsContact C-N 3.31Å; F142-D144 PolarHBondContact O-N 3.12Å; F142-E145 PolarHBondContact O-N 3.05Å; F142-F146 HydrophobicContact CE1-CB 4.24Å; F142-F146 HydrophobicContact CE1-CG 4.48Å; F142-F146 HydrophobicContact CZ-CB 4.48Å; F142-F146 WeakPolarHBondContact O-CB 3.36Å; F142-F146 PolarHBondContact O-N 3.32Å; F142-A270 HydrophobicContact CD2-CB 3.74Å; F142-A270 HydrophobicContact CE2-CB 3.95Å; F142-I274 HydrophobicContact CB-CD1 3.7Å; F142-I274 HydrophobicContact CB-CG1 4.11Å; F142-I274 HydrophobicContact CD2-CD1 4.1Å; F142-I274 HydrophobicContact CD2-CG1 3.74Å; F142-I274 HydrophobicContact CG-CD1 3.98Å; F142-I274 HydrophobicContact CG-CG1 4.15Å |
| 143 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.1 | -39.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V121 I124 L139 K140 F146 A147 | V121-A143 HydrophobicContact CG1-CB 4.32Å; I124-A143 HydrophobicContact CB-CB 4.41Å; I124-A143 HydrophobicContact CG2-CB 3.98Å; L139-A143 WeakPolarHBondContact O-CB 3.4Å; L139-A143 PolarHBondContact O-N 3.31Å; K140-A143 WeakPolarHBondContact O-CB 3.46Å; K140-A143 PolarHBondContact O-N 2.93Å; K140-A143 VanDerWaalsContact O-N 3.07Å; A143-F146 PolarHBondContact O-N 3.04Å; A143-A147 WeakPolarHBondContact O-CB 3.39Å; A143-A147 PolarHBondContact O-N 3.24Å |
| 144 | D | 98.7 | Very high | 98.5 | Very high | 97 Ų | 97 | 48.1 Ų | 48.1 | 52% | 0.519 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.6 | -44.9 | 177.2 | -74.5 | -11.8 | 0 | 0 | 0 | 112 | K140 F142 F146 A147 K148 | K140-D144 PolarHBondContact O-N 3.45Å; F142-D144 VanDerWaalsContact C-N 3.31Å; F142-D144 PolarHBondContact O-N 3.12Å; D144-F146 VanDerWaalsContact C-N 3.35Å; D144-A147 PolarHBondContact O-N 3.29Å; D144-K148 PolarHBondContact O-N 3.03Å |
| 145 | E | 98.6 | Very high | 98.6 | Very high | 42 Ų | 42 | 47.3 Ų | 47.3 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | 173.5 | -73 | -63.1 | 166.4 | 0 | 0 | 111.4 | D141 F142 A147 K148 L149 V266 A269 A270 | D141-E145 PolarHBondContact O-N 3.41Å; F142-E145 PolarHBondContact O-N 3.05Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.25Å; E145-K148 WeakPolarHBondContact O-CB 3.41Å; E145-K148 PolarHBondContact O-N 3.18Å; E145-K148 IonicContact OE1-NZ 3.58Å; E145-K148 IonicContact OE2-NZ 2.86Å; E145-K148 PolarHBondContact OE2-NZ 2.94Å; E145-L149 PolarHBondContact O-N 3.36Å; E145-V266 HydrophobicContact CB-CG1 4.08Å; E145-V266 WeakPolarHBondContact O-CG1 3.35Å; E145-A269 HydrophobicContact CG-CB 4.25Å; E145-A270 HydrophobicContact CB-CB 3.99Å |
| 146 | F | 98.6 | Very high | 98.6 | Very high | 28 Ų | 28 | 45.5 Ų | 45.5 | 12% | 0.123 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.6 | -32.3 | 178.7 | -167.1 | -128.1 | 0 | 0 | 0 | 113 | A117 L120 V121 F142 A143 D144 L149 Q150 F267 | A117-F146 HydrophobicContact CB-CE1 3.73Å; A117-F146 HydrophobicContact CB-CZ 3.67Å; L120-F146 HydrophobicContact CB-CE1 4.13Å; L120-F146 HydrophobicContact CD1-CE1 4.25Å; V121-F146 HydrophobicContact CG2-CB 4.21Å; V121-F146 HydrophobicContact CG2-CD1 3.54Å; V121-F146 HydrophobicContact CG2-CE1 4.35Å; V121-F146 HydrophobicContact CG2-CG 4.24Å; F142-F146 HydrophobicContact CE1-CB 4.24Å; F142-F146 HydrophobicContact CE1-CG 4.48Å; F142-F146 HydrophobicContact CZ-CB 4.48Å; F142-F146 WeakPolarHBondContact O-CB 3.36Å; F142-F146 PolarHBondContact O-N 3.32Å; A143-F146 PolarHBondContact O-N 3.04Å; D144-F146 VanDerWaalsContact C-N 3.35Å; F146-L149 HydrophobicContact CD2-CD2 4.11Å; F146-L149 HydrophobicContact CE2-CD2 4.08Å; F146-L149 WeakPolarHBondContact O-CB 3.35Å; F146-L149 PolarHBondContact O-N 2.94Å; F146-Q150 PolarHBondContact O-N 2.98Å; F146-Q150 PolarHBondContact O-NE2 3.43Å; F146-Q150 VanDerWaalsContact O-NE2 3.08Å; F146-F267 HydrophobicContact CD2-CE1 4Å; F146-F267 AromaticContact CE2-CE1 3.94Å; F146-F267 HydrophobicContact CE2-CE1 3.94Å; F146-F267 HydrophobicContact CE2-CZ 4.21Å |
| 147 | A | 98.7 | Very high | 98.6 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 25% | 0.248 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.3 | -46.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V121 A143 D144 E145 L149 Q150 D151 | V121-A147 HydrophobicContact CG1-CB 4.01Å; V121-A147 HydrophobicContact CG2-CB 4.17Å; A143-A147 WeakPolarHBondContact O-CB 3.39Å; A143-A147 PolarHBondContact O-N 3.24Å; D144-A147 PolarHBondContact O-N 3.29Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.25Å; A147-L149 PolarHBondContact O-N 3.12Å; A147-Q150 WeakPolarHBondContact O-CA 3.17Å; A147-Q150 VanDerWaalsContact O-CB 3.29Å; A147-Q150 WeakPolarHBondContact O-CB 3.38Å; A147-Q150 PolarHBondContact O-N 3.07Å; A147-D151 PolarHBondContact O-N 2.98Å |
| 148 | K | 98.5 | Very high | 98.7 | Very high | 72 Ų | 72 | 43.4 Ų | 43.4 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.1 | -33.1 | 174.7 | 173.2 | 179 | 158.2 | -151.2 | 0 | 112.7 | D144 E145 Q150 D151 Y152 | D144-K148 PolarHBondContact O-N 3.03Å; E145-K148 WeakPolarHBondContact O-CB 3.41Å; E145-K148 PolarHBondContact O-N 3.18Å; E145-K148 IonicContact OE1-NZ 3.58Å; E145-K148 IonicContact OE2-NZ 2.86Å; E145-K148 PolarHBondContact OE2-NZ 2.94Å; K148-Q150 VanDerWaalsContact C-N 3.26Å; K148-Q150 PolarHBondContact O-N 3.13Å; K148-D151 PolarHBondContact O-N 3.47Å; K148-Y152 HydrophobicContact CG-CD2 4.46Å; K148-Y152 HydrophobicContact CG-CE2 3.92Å; K148-Y152 VanDerWaalsContact O-CD2 3.22Å; K148-Y152 WeakPolarHBondContact O-CD2 3.48Å; K148-Y152 PolarHBondContact O-N 3.26Å |
| 149 | L | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -35.4 | 171 | -177.7 | 59.9 | 0 | 0 | 0 | 112.3 | E145 F146 A147 Y152 R153 F259 A263 V266 F267 | E145-L149 PolarHBondContact O-N 3.36Å; F146-L149 HydrophobicContact CD2-CD2 4.11Å; F146-L149 HydrophobicContact CE2-CD2 4.08Å; F146-L149 WeakPolarHBondContact O-CB 3.35Å; F146-L149 PolarHBondContact O-N 2.94Å; A147-L149 PolarHBondContact O-N 3.12Å; L149-Y152 PolarHBondContact O-N 3.05Å; L149-R153 PolarHBondContact O-N 2.7Å; L149-F259 HydrophobicContact CD1-CE2 3.93Å; L149-F259 HydrophobicContact CD1-CZ 4.09Å; L149-A263 HydrophobicContact CD1-CB 3.7Å; L149-V266 HydrophobicContact CB-CG1 3.96Å; L149-F267 HydrophobicContact CD2-CD1 4.34Å; L149-F267 HydrophobicContact CD2-CD2 4.19Å; L149-F267 HydrophobicContact CD2-CE1 3.65Å; L149-F267 HydrophobicContact CD2-CE2 3.47Å; L149-F267 VanDerWaalsContact CD2-CE2 3.47Å; L149-F267 HydrophobicContact CD2-CZ 3.16Å |
| 150 | Q | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71 | -31.5 | 179.2 | -60.3 | -27.2 | -63.3 | 0 | 0 | 112.4 | R114 A117 D118 F146 A147 K148 Y152 R153 Q154 | R114-Q150 HydrophobicContact CG-CB 3.68Å; R114-Q150 HydrophobicContact CG-CG 4.14Å; A117-Q150 HydrophobicContact CB-CG 3.69Å; D118-Q150 WeakPolarHBondContact OD1-CB 3.36Å; D118-Q150 WeakPolarHBondContact OD1-CG 3.39Å; F146-Q150 PolarHBondContact O-N 2.98Å; F146-Q150 PolarHBondContact O-NE2 3.43Å; F146-Q150 VanDerWaalsContact O-NE2 3.08Å; A147-Q150 WeakPolarHBondContact O-CA 3.17Å; A147-Q150 VanDerWaalsContact O-CB 3.29Å; A147-Q150 WeakPolarHBondContact O-CB 3.38Å; A147-Q150 PolarHBondContact O-N 3.07Å; K148-Q150 VanDerWaalsContact C-N 3.26Å; K148-Q150 PolarHBondContact O-N 3.13Å; Q150-Y152 VanDerWaalsContact C-N 3.34Å; Q150-Y152 PolarHBondContact O-N 3.34Å; Q150-R153 CarbonylContact O-C 3.58Å; Q150-R153 WeakPolarHBondContact O-CB 3.16Å; Q150-R153 PolarHBondContact O-N 2.77Å; Q150-Q154 PolarHBondContact O-N 3.44Å |
| 151 | D | 98.6 | Very high | 98.7 | Very high | 117 Ų | 117 | 49.5 Ų | 49.5 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.5 | -42.9 | 169.8 | -66.5 | -30.3 | 0 | 0 | 0 | 111.5 | A147 K148 R153 Q154 A155 | A147-D151 PolarHBondContact O-N 2.98Å; K148-D151 PolarHBondContact O-N 3.47Å; D151-R153 VanDerWaalsContact C-N 3.33Å; D151-R153 PolarHBondContact O-N 2.84Å; D151-Q154 PolarHBondContact O-N 3.25Å; D151-A155 PolarHBondContact O-N 3.34Å |
| 152 | Y | 98.7 | Very high | 98.7 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 174.4 | -69.5 | -58.6 | 0 | 0 | 0 | 112.1 | K148 L149 Q150 A155 E156 K262 V266 | K148-Y152 HydrophobicContact CG-CD2 4.46Å; K148-Y152 HydrophobicContact CG-CE2 3.92Å; K148-Y152 VanDerWaalsContact O-CD2 3.22Å; K148-Y152 WeakPolarHBondContact O-CD2 3.48Å; K148-Y152 PolarHBondContact O-N 3.26Å; L149-Y152 PolarHBondContact O-N 3.05Å; Q150-Y152 VanDerWaalsContact C-N 3.34Å; Q150-Y152 PolarHBondContact O-N 3.34Å; Y152-A155 PolarHBondContact O-N 3.37Å; Y152-E156 PolarHBondContact O-N 2.95Å; Y152-K262 HydrophobicContact CD1-CB 4.46Å; Y152-K262 HydrophobicContact CD1-CG 4.39Å; Y152-K262 HydrophobicContact CD2-CB 4.28Å; Y152-K262 HydrophobicContact CE1-CD 4.16Å; Y152-K262 HydrophobicContact CE1-CG 4.32Å; Y152-K262 HydrophobicContact CE2-CB 4.5Å; Y152-K262 HydrophobicContact CE2-CD 4.35Å; Y152-K262 HydrophobicContact CG-CB 4.26Å; Y152-V266 HydrophobicContact CD2-CG2 4.27Å; Y152-V266 HydrophobicContact CE2-CG2 3.99Å |
| 153 | R | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 10% | 0.102 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | 174.3 | -173.8 | 168.4 | -73 | 152 | -8 | 112.1 | T110 R114 L149 Q150 D151 E156 V157 F259 | T110-R153 HydrophobicContact CG2-CG 3.9Å; R114-R153 HydrophobicContact CB-CG 4.12Å; L149-R153 PolarHBondContact O-N 2.7Å; Q150-R153 CarbonylContact O-C 3.58Å; Q150-R153 WeakPolarHBondContact O-CB 3.16Å; Q150-R153 PolarHBondContact O-N 2.77Å; D151-R153 VanDerWaalsContact C-N 3.33Å; D151-R153 PolarHBondContact O-N 2.84Å; R153-E156 WeakPolarHBondContact O-CB 3.5Å; R153-E156 PolarHBondContact O-N 3.37Å; R153-V157 WeakPolarHBondContact O-CG2 3.49Å; R153-V157 PolarHBondContact O-N 2.98Å; R153-F259 HydrophobicContact CB-CE2 3.76Å; R153-F259 HydrophobicContact CB-CZ 4.24Å; R153-F259 HydrophobicContact CG-CE2 4.43Å |
| 154 | Q | 98.7 | Very high | 98.7 | Very high | 59 Ų | 59 | 52.2 Ų | 52.2 | 28% | 0.276 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 174.2 | 171.5 | 56.1 | 17.4 | 0 | 0 | 111.3 | Q150 D151 E156 V157 E158 | Q150-Q154 PolarHBondContact O-N 3.44Å; D151-Q154 PolarHBondContact O-N 3.25Å; Q154-E156 VanDerWaalsContact C-N 3.31Å; Q154-E156 PolarHBondContact O-N 2.82Å; Q154-V157 PolarHBondContact O-N 3.45Å; Q154-E158 PolarHBondContact NE2-OE1 3.37Å; Q154-E158 WeakPolarHBondContact O-CG 3.47Å; Q154-E158 PolarHBondContact O-N 3.27Å |
| 155 | A | 98.8 | Very high | 98.7 | Very high | 26 Ų | 26 | 48 Ų | 48 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.4 | -34.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D151 Y152 R159 | D151-A155 PolarHBondContact O-N 3.34Å; Y152-A155 PolarHBondContact O-N 3.37Å; A155-R159 WeakPolarHBondContact O-CB 3.29Å; A155-R159 WeakPolarHBondContact O-CD 3.31Å; A155-R159 WeakPolarHBondContact O-CG 3.38Å; A155-R159 PolarHBondContact O-N 2.91Å; A155-R159 VanDerWaalsContact O-N 3.12Å |
| 156 | E | 98.8 | Very high | 98.7 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.6 | -51.6 | 171.9 | 170.9 | -178.7 | -126.1 | 0 | 0 | 111.1 | Y152 R153 Q154 E158 R159 L160 I255 F259 | Y152-E156 PolarHBondContact O-N 2.95Å; R153-E156 WeakPolarHBondContact O-CB 3.5Å; R153-E156 PolarHBondContact O-N 3.37Å; Q154-E156 VanDerWaalsContact C-N 3.31Å; Q154-E156 PolarHBondContact O-N 2.82Å; E156-E158 PolarHBondContact O-N 3.36Å; E156-R159 PolarHBondContact O-N 3.35Å; E156-L160 HydrophobicContact CG-CD1 3.84Å; E156-L160 HydrophobicContact CG-CG 4.26Å; E156-L160 WeakPolarHBondContact O-CB 3.25Å; E156-L160 VanDerWaalsContact O-CG 3.31Å; E156-L160 WeakPolarHBondContact O-CG 3.45Å; E156-L160 PolarHBondContact O-N 2.98Å; E156-I255 HydrophobicContact CG-CG2 4.07Å; E156-F259 HydrophobicContact CB-CB 4.18Å; E156-F259 HydrophobicContact CB-CD2 4.19Å; E156-F259 HydrophobicContact CB-CG 4.26Å; E156-F259 HydrophobicContact CG-CB 4.19Å; E156-F259 HydrophobicContact CG-CG 4.32Å; E156-F259 WeakPolarHBondContact OE1-CB 3.44Å; E156-F259 WeakPolarHBondContact OE1-CD1 3.19Å; E156-F259 VanDerWaalsContact OE1-CG 3.23Å; E156-F259 WeakPolarHBondContact OE1-CG 3.5Å; E156-F259 WeakPolarHBondContact OE2-CD1 3.44Å; E156-F259 WeakPolarHBondContact OE2-CG 3.35Å |
| 157 | V | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -53.5 | -51.9 | 177.7 | 166.5 | 0 | 0 | 0 | 0 | 111.2 | V107 T110 A111 R153 Q154 R159 L160 E161 | V107-V157 HydrophobicContact CG1-CB 4.49Å; V107-V157 HydrophobicContact CG1-CG1 3.79Å; T110-V157 HydrophobicContact CG2-CG2 3.78Å; A111-V157 HydrophobicContact CB-CG1 4.14Å; A111-V157 HydrophobicContact CB-CG2 4.11Å; R153-V157 WeakPolarHBondContact O-CG2 3.49Å; R153-V157 PolarHBondContact O-N 2.98Å; Q154-V157 PolarHBondContact O-N 3.45Å; V157-R159 VanDerWaalsContact C-N 3.32Å; V157-R159 PolarHBondContact O-N 3.22Å; V157-L160 PolarHBondContact O-N 2.99Å; V157-E161 PolarHBondContact O-N 3.34Å |
| 158 | E | 98.8 | Very high | 98.7 | Very high | 114 Ų | 114 | 49.2 Ų | 49.2 | 53% | 0.533 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.5 | -40.9 | 179.9 | -72.2 | 174.6 | -176.8 | 0 | 0 | 112.5 | Q154 E156 A162 | Q154-E158 PolarHBondContact NE2-OE1 3.37Å; Q154-E158 WeakPolarHBondContact O-CG 3.47Å; Q154-E158 PolarHBondContact O-N 3.27Å; E156-E158 PolarHBondContact O-N 3.36Å; E158-A162 WeakPolarHBondContact O-CB 3.33Å; E158-A162 PolarHBondContact O-N 2.93Å |
| 159 | R | 98.9 | Very high | 98.7 | Very high | 130 Ų | 130 | 51.5 Ų | 51.5 | 49% | 0.491 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.5 | -42.4 | 179.6 | -73.8 | 171.8 | -178.9 | 162.1 | 3.1 | 111.7 | A155 E156 V157 E161 A162 K163 I255 | A155-R159 WeakPolarHBondContact O-CB 3.29Å; A155-R159 WeakPolarHBondContact O-CD 3.31Å; A155-R159 WeakPolarHBondContact O-CG 3.38Å; A155-R159 PolarHBondContact O-N 2.91Å; A155-R159 VanDerWaalsContact O-N 3.12Å; E156-R159 PolarHBondContact O-N 3.35Å; V157-R159 VanDerWaalsContact C-N 3.32Å; V157-R159 PolarHBondContact O-N 3.22Å; R159-E161 VanDerWaalsContact C-N 3.31Å; R159-E161 PolarHBondContact O-N 3.38Å; R159-A162 PolarHBondContact O-N 2.85Å; R159-K163 VanDerWaalsContact O-CB 3.23Å; R159-K163 WeakPolarHBondContact O-CB 3.23Å; R159-K163 WeakPolarHBondContact O-CG 3.46Å; R159-K163 PolarHBondContact O-N 3.18Å; R159-I255 HydrophobicContact CB-CD1 3.81Å; R159-I255 HydrophobicContact CB-CG1 4.05Å; R159-I255 HydrophobicContact CB-CG2 4.13Å |
| 160 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -44 | 175.9 | -71.7 | 175.9 | 0 | 0 | 0 | 110.6 | Y106 V107 E156 V157 V164 V165 F252 I255 | Y106-L160 HydrophobicContact CD1-CD1 4.28Å; Y106-L160 HydrophobicContact CE1-CD1 3.91Å; V107-L160 HydrophobicContact CG2-CB 3.49Å; V107-L160 VanDerWaalsContact CG2-CB 3.49Å; V107-L160 HydrophobicContact CG2-CD1 4.12Å; V107-L160 HydrophobicContact CG2-CG 4.44Å; E156-L160 HydrophobicContact CG-CD1 3.84Å; E156-L160 HydrophobicContact CG-CG 4.26Å; E156-L160 WeakPolarHBondContact O-CB 3.25Å; E156-L160 VanDerWaalsContact O-CG 3.31Å; E156-L160 WeakPolarHBondContact O-CG 3.45Å; E156-L160 PolarHBondContact O-N 2.98Å; V157-L160 PolarHBondContact O-N 2.99Å; L160-V164 HydrophobicContact CD2-CG2 4.1Å; L160-V164 WeakPolarHBondContact O-CA 3.36Å; L160-V164 WeakPolarHBondContact O-CB 3.47Å; L160-V164 PolarHBondContact O-N 3.49Å; L160-V165 PolarHBondContact O-N 3Å; L160-V165 VanDerWaalsContact O-N 3.16Å; L160-F252 HydrophobicContact CD2-CD2 3.59Å; L160-F252 HydrophobicContact CD2-CE2 4.06Å; L160-I255 HydrophobicContact CD2-CB 4.18Å; L160-I255 HydrophobicContact CD2-CD1 4.22Å; L160-I255 HydrophobicContact CD2-CG2 3.86Å; L160-I255 HydrophobicContact CG-CG2 3.9Å |
| 161 | E | 98.8 | Very high | 98.7 | Very high | 94 Ų | 94 | 54 Ų | 54 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -61.5 | -48.5 | 177.2 | -167.1 | 141.3 | -174.6 | 0 | 0 | 111.6 | V107 V157 R159 V165 E166 | V107-E161 HydrophobicContact CG1-CB 4.35Å; V157-E161 PolarHBondContact O-N 3.34Å; R159-E161 VanDerWaalsContact C-N 3.31Å; R159-E161 PolarHBondContact O-N 3.38Å; E161-V165 WeakPolarHBondContact O-CB 3.48Å; E161-V165 PolarHBondContact O-N 2.84Å; E161-E166 PolarHBondContact O-N 2.93Å |
| 162 | A | 98.8 | Very high | 98.6 | Very high | 59 Ų | 59 | 51 Ų | 51 | 49% | 0.488 | 27% | 0.267 | S | S | . | . | I | π-helix | trans | -71.9 | -34.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E158 R159 P167 | E158-A162 WeakPolarHBondContact O-CB 3.33Å; E158-A162 PolarHBondContact O-N 2.93Å; R159-A162 PolarHBondContact O-N 2.85Å; A162-P167 WeakPolarHBondContact O-CD 3.44Å |
| 163 | K | 98.8 | Very high | 98.5 | Very high | 100 Ų | 100 | 51.6 Ų | 51.6 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | I | π-helix | trans | -105.2 | -16.2 | -170.3 | -62.3 | -67.2 | -172.1 | 165 | 0 | 114.3 | R159 P167 E251 I255 | R159-K163 VanDerWaalsContact O-CB 3.23Å; R159-K163 WeakPolarHBondContact O-CB 3.23Å; R159-K163 WeakPolarHBondContact O-CG 3.46Å; R159-K163 PolarHBondContact O-N 3.18Å; K163-P167 WeakPolarHBondContact O-CG 3.47Å; K163-E251 HydrophobicContact CB-CB 4.09Å; K163-E251 HydrophobicContact CB-CG 4.39Å; K163-I255 HydrophobicContact CB-CD1 3.97Å; K163-I255 HydrophobicContact CG-CD1 4.37Å |
| 164 | V | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -117.6 | -56.8 | -179.1 | -173 | 0 | 0 | 0 | 0 | 110.3 | F103 L160 L168 I248 F252 | F103-V164 HydrophobicContact CB-CG1 4.23Å; F103-V164 HydrophobicContact CD1-CG1 3.72Å; F103-V164 HydrophobicContact CD2-CG1 3.97Å; F103-V164 HydrophobicContact CE1-CG1 4Å; F103-V164 HydrophobicContact CE2-CG1 4.23Å; F103-V164 HydrophobicContact CG-CG1 3.72Å; F103-V164 HydrophobicContact CZ-CG1 4.24Å; L160-V164 HydrophobicContact CD2-CG2 4.1Å; L160-V164 WeakPolarHBondContact O-CA 3.36Å; L160-V164 WeakPolarHBondContact O-CB 3.47Å; L160-V164 PolarHBondContact O-N 3.49Å; V164-L168 HydrophobicContact CG1-CD1 4.33Å; V164-L168 WeakPolarHBondContact O-CG 3.2Å; V164-L168 PolarHBondContact O-N 2.96Å; V164-I248 HydrophobicContact CG1-CG2 3.87Å; V164-F252 HydrophobicContact CG2-CB 3.85Å; V164-F252 HydrophobicContact CG2-CD2 4.46Å |
| 165 | V | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -71 | -51.6 | -173.6 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | F103 A104 V107 L160 E161 L168 K169 | F103-V165 HydrophobicContact CB-CG2 4.16Å; A104-V165 HydrophobicContact CB-CG1 3.99Å; A104-V165 HydrophobicContact CB-CG2 4.5Å; V107-V165 HydrophobicContact CG2-CG2 4.02Å; L160-V165 PolarHBondContact O-N 3Å; L160-V165 VanDerWaalsContact O-N 3.16Å; E161-V165 WeakPolarHBondContact O-CB 3.48Å; E161-V165 PolarHBondContact O-N 2.84Å; V165-L168 PolarHBondContact O-N 3.41Å; V165-L168 VanDerWaalsContact O-N 3.16Å; V165-K169 WeakPolarHBondContact O-CB 3.31Å; V165-K169 PolarHBondContact O-N 3.43Å |
| 166 | E | 98.7 | Very high | 98 | Very high | 78 Ų | 78 | 55 Ų | 55 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | -177.7 | -77.8 | -63.2 | 138.5 | 0 | 0 | 113.4 | E161 L168 K169 A170 | E161-E166 PolarHBondContact O-N 2.93Å; E166-L168 PolarHBondContact O-N 3.46Å; E166-K169 PolarHBondContact O-N 2.94Å; E166-K169 WeakPolarHBondContact OE1-CD 3.41Å; E166-K169 IonicContact OE1-NZ 2.74Å; E166-K169 PolarHBondContact OE1-NZ 3.03Å; E166-K169 IonicContact OE2-NZ 3.48Å; E166-A170 PolarHBondContact O-N 3.22Å |
| 167 | P | 98.6 | Very high | 97.7 | Very high | 41 Ų | 41 | 60.3 Ų | 60.3 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 171.9 | -28.8 | 38.5 | 0 | 0 | 0 | 113.9 | A162 K163 A170 Y171 I248 | A162-P167 WeakPolarHBondContact O-CD 3.44Å; K163-P167 WeakPolarHBondContact O-CG 3.47Å; P167-A170 PolarHBondContact O-N 2.86Å; P167-Y171 WeakPolarHBondContact O-CD2 3.23Å; P167-I248 HydrophobicContact CB-CD1 3.84Å; P167-I248 HydrophobicContact CB-CG1 3.85Å |
| 168 | L | 98.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 175.6 | -72.6 | 170.4 | 0 | 0 | 0 | 111.6 | F96 L99 C100 F103 V164 V165 E166 A170 Y171 I248 | F96-L168 HydrophobicContact CB-CD2 4.44Å; F96-L168 HydrophobicContact CD2-CD2 3.9Å; F96-L168 HydrophobicContact CE2-CD2 4.41Å; F96-L168 HydrophobicContact CG-CD2 4.27Å; L99-L168 HydrophobicContact CB-CD1 4.15Å; L99-L168 HydrophobicContact CB-CD2 4.35Å; C100-L168 HydrophobicContact CB-CB 3.84Å; F103-L168 HydrophobicContact CB-CD1 4.45Å; F103-L168 HydrophobicContact CD2-CD1 3.61Å; F103-L168 HydrophobicContact CE2-CD1 4.29Å; F103-L168 HydrophobicContact CG-CD1 4.37Å; V164-L168 HydrophobicContact CG1-CD1 4.33Å; V164-L168 WeakPolarHBondContact O-CG 3.2Å; V164-L168 PolarHBondContact O-N 2.96Å; V165-L168 PolarHBondContact O-N 3.41Å; V165-L168 VanDerWaalsContact O-N 3.16Å; E166-L168 PolarHBondContact O-N 3.46Å; L168-A170 VanDerWaalsContact C-N 3.35Å; L168-A170 PolarHBondContact O-N 2.93Å; L168-Y171 WeakPolarHBondContact O-CB 3.38Å; L168-Y171 PolarHBondContact O-N 2.85Å; L168-I248 HydrophobicContact CD1-CG2 4.4Å; L168-I248 HydrophobicContact CD2-CD1 3.99Å; L168-I248 HydrophobicContact CG-CD1 4.15Å; L168-I248 HydrophobicContact CG-CG2 4.28Å |
| 169 | K | 98.3 | Very high | 97.2 | Very high | 120 Ų | 120 | 61.6 Ų | 61.6 | 52% | 0.522 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 176.2 | -176.7 | 177.4 | 169.4 | -170 | 0 | 112.3 | V165 E166 Y171 G172 | V165-K169 WeakPolarHBondContact O-CB 3.31Å; V165-K169 PolarHBondContact O-N 3.43Å; E166-K169 PolarHBondContact O-N 2.94Å; E166-K169 WeakPolarHBondContact OE1-CD 3.41Å; E166-K169 IonicContact OE1-NZ 2.74Å; E166-K169 PolarHBondContact OE1-NZ 3.03Å; E166-K169 IonicContact OE2-NZ 3.48Å; K169-Y171 PolarHBondContact O-N 3.34Å; K169-G172 PolarHBondContact O-N 3.4Å |
| 170 | A | 98.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 59.7 Ų | 59.7 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.6 | -28.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E166 P167 L168 G172 T173 I174 | E166-A170 PolarHBondContact O-N 3.22Å; P167-A170 PolarHBondContact O-N 2.86Å; L168-A170 VanDerWaalsContact C-N 3.35Å; L168-A170 PolarHBondContact O-N 2.93Å; A170-G172 PolarHBondContact O-N 2.92Å; A170-T173 PolarHBondContact O-N 3.26Å; A170-I174 PolarHBondContact O-N 3.09Å |
| 171 | Y | 97.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 62.1 Ų | 62.1 | 2% | 0.02 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.5 | -24.7 | 174.5 | -92.6 | -98.6 | 0 | 0 | 0 | 113.4 | V92 F96 P167 L168 K169 T173 I174 V175 K241 D244 | V92-Y171 HydrophobicContact CG1-CD1 3.59Å; V92-Y171 HydrophobicContact CG1-CE1 4Å; F96-Y171 AromaticContact CD2-CD1 3.57Å; F96-Y171 HydrophobicContact CD2-CD1 3.57Å; F96-Y171 AromaticContact CD2-CD2 3.64Å; F96-Y171 HydrophobicContact CD2-CD2 3.64Å; F96-Y171 AromaticContact CD2-CE1 3.92Å; F96-Y171 HydrophobicContact CD2-CE1 3.92Å; F96-Y171 HydrophobicContact CD2-CE2 4.02Å; F96-Y171 AromaticContact CD2-CG 3.42Å; F96-Y171 HydrophobicContact CD2-CG 3.42Å; F96-Y171 VanDerWaalsContact CD2-CG 3.42Å; F96-Y171 AromaticContact CE2-CD1 3.82Å; F96-Y171 HydrophobicContact CE2-CD1 3.82Å; F96-Y171 AromaticContact CE2-CD2 3.83Å; F96-Y171 HydrophobicContact CE2-CD2 3.83Å; F96-Y171 AromaticContact CE2-CE1 3.65Å; F96-Y171 HydrophobicContact CE2-CE1 3.65Å; F96-Y171 AromaticContact CE2-CE2 3.69Å; F96-Y171 HydrophobicContact CE2-CE2 3.69Å; F96-Y171 AromaticContact CE2-CG 3.92Å; F96-Y171 HydrophobicContact CE2-CG 3.92Å; F96-Y171 AromaticContact CE2-CZ 3.6Å; F96-Y171 HydrophobicContact CG-CD1 4.42Å; F96-Y171 HydrophobicContact CG-CG 4.41Å; F96-Y171 HydrophobicContact CZ-CE1 4.48Å; P167-Y171 WeakPolarHBondContact O-CD2 3.23Å; L168-Y171 WeakPolarHBondContact O-CB 3.38Å; L168-Y171 PolarHBondContact O-N 2.85Å; K169-Y171 PolarHBondContact O-N 3.34Å; Y171-T173 VanDerWaalsContact C-N 3.27Å; Y171-T173 PolarHBondContact O-N 3.12Å; Y171-I174 HydrophobicContact CD1-CD1 4.38Å; Y171-I174 HydrophobicContact CD2-CD1 4.15Å; Y171-I174 HydrophobicContact CE1-CD1 4.47Å; Y171-I174 HydrophobicContact CE2-CD1 4.2Å; Y171-I174 HydrophobicContact CG-CD1 4.22Å; Y171-I174 PolarHBondContact O-N 3.37Å; Y171-V175 WeakPolarHBondContact O-CB 3.17Å; Y171-V175 VanDerWaalsContact O-CG2 3.25Å; Y171-V175 WeakPolarHBondContact O-CG2 3.34Å; Y171-V175 PolarHBondContact O-N 3.21Å; Y171-K241 WeakPolarHBondContact OH-CA 3.39Å; Y171-D244 HydrophobicContact CE2-CB 3.92Å; Y171-D244 WeakPolarHBondContact CE2-OD2 3.21Å; Y171-D244 WeakPolarHBondContact OH-CB 3.2Å; Y171-D244 PolarHBondContact OH-OD2 3.45Å |
| 172 | G | 96.6 | Very high | 96 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 54% | 0.536 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.8 | -39.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K169 A170 K176 | K169-G172 PolarHBondContact O-N 3.4Å; A170-G172 PolarHBondContact O-N 2.92Å; G172-K176 WeakPolarHBondContact O-CB 3.46Å; G172-K176 PolarHBondContact O-N 3.44Å |
| 173 | T | 96.9 | Very high | 95.6 | Very high | 94 Ų | 94 | 62 Ų | 62 | 58% | 0.577 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -74.5 | -41.6 | 175.9 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | A170 Y171 K176 M177 | A170-T173 PolarHBondContact O-N 3.26Å; Y171-T173 VanDerWaalsContact C-N 3.27Å; Y171-T173 PolarHBondContact O-N 3.12Å; T173-K176 PolarHBondContact O-N 2.83Å; T173-M177 HydrophobicContact CG2-SD 4.31Å; T173-M177 WeakPolarHBondContact O-CG 3.33Å; T173-M177 PolarHBondContact O-N 2.92Å |
| 174 | I | 94.8 | Very high | 95.2 | Very high | 49 Ų | 49 | 60 Ų | 60 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.9 | -50.4 | 179.5 | -60.9 | 172.1 | 0 | 0 | 0 | 110.4 | A170 Y171 K176 M177 K178 F237 | A170-I174 PolarHBondContact O-N 3.09Å; Y171-I174 HydrophobicContact CD1-CD1 4.38Å; Y171-I174 HydrophobicContact CD2-CD1 4.15Å; Y171-I174 HydrophobicContact CE1-CD1 4.47Å; Y171-I174 HydrophobicContact CE2-CD1 4.2Å; Y171-I174 HydrophobicContact CG-CD1 4.22Å; Y171-I174 PolarHBondContact O-N 3.37Å; I174-K176 VanDerWaalsContact C-N 3.32Å; I174-K176 PolarHBondContact O-N 3.23Å; I174-M177 PolarHBondContact O-N 3.28Å; I174-K178 WeakPolarHBondContact O-CG 3.24Å; I174-K178 PolarHBondContact O-N 3.16Å; I174-F237 HydrophobicContact CG2-CD2 4.31Å; I174-F237 HydrophobicContact CG2-CE2 4.04Å |
| 175 | V | 95.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 178.2 | 166.4 | 0 | 0 | 0 | 0 | 110.5 | V89 V92 E93 Y171 M177 K178 R179 | V89-V175 HydrophobicContact CG1-CG1 3.81Å; V92-V175 HydrophobicContact CG1-CG2 3.88Å; E93-V175 HydrophobicContact CB-CG1 3.7Å; E93-V175 HydrophobicContact CB-CG2 4.36Å; E93-V175 HydrophobicContact CG-CG1 4Å; Y171-V175 WeakPolarHBondContact O-CB 3.17Å; Y171-V175 VanDerWaalsContact O-CG2 3.25Å; Y171-V175 WeakPolarHBondContact O-CG2 3.34Å; Y171-V175 PolarHBondContact O-N 3.21Å; V175-M177 PolarHBondContact O-N 3.47Å; V175-K178 PolarHBondContact O-N 2.92Å; V175-R179 VanDerWaalsContact CG1-NH2 3.28Å; V175-R179 PolarHBondContact O-N 3.39Å |
| 176 | K | 95.7 | Very high | 94.3 | Very high | 133 Ų | 133 | 62.8 Ų | 62.8 | 58% | 0.578 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.8 | -49.6 | 177.5 | -177 | -179 | 177.4 | -178 | 0 | 111.7 | G172 T173 I174 K178 R179 D180 | G172-K176 WeakPolarHBondContact O-CB 3.46Å; G172-K176 PolarHBondContact O-N 3.44Å; T173-K176 PolarHBondContact O-N 2.83Å; I174-K176 VanDerWaalsContact C-N 3.32Å; I174-K176 PolarHBondContact O-N 3.23Å; K176-K178 VanDerWaalsContact C-N 3.34Å; K176-K178 PolarHBondContact O-N 2.93Å; K176-R179 WeakPolarHBondContact O-CB 3.35Å; K176-R179 PolarHBondContact O-N 3.48Å; K176-R179 VanDerWaalsContact O-N 3.16Å; K176-D180 PolarHBondContact O-N 3.38Å |
| 177 | M | 93.1 | Very high | 94 | Very high | 116 Ų | 116 | 61.7 Ų | 61.7 | 57% | 0.571 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.1 | -44.5 | 177.2 | -69.3 | 178.1 | 67.8 | 0 | 0 | 111.8 | T173 I174 V175 R179 D180 D181 | T173-M177 HydrophobicContact CG2-SD 4.31Å; T173-M177 WeakPolarHBondContact O-CG 3.33Å; T173-M177 PolarHBondContact O-N 2.92Å; I174-M177 PolarHBondContact O-N 3.28Å; V175-M177 PolarHBondContact O-N 3.47Å; M177-R179 VanDerWaalsContact C-N 3.29Å; M177-R179 PolarHBondContact O-N 2.87Å; M177-D180 PolarHBondContact O-N 3.21Å; M177-D180 VanDerWaalsContact O-N 3.17Å; M177-D181 PolarHBondContact O-N 3.16Å |
| 178 | K | 92.3 | Very high | 93.6 | Very high | 42 Ų | 42 | 60 Ų | 60 | 18% | 0.183 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.7 | -34.2 | 177.3 | -64.6 | -59.6 | 172.6 | -162.6 | 0 | 112.9 | V89 I174 V175 K176 D181 L182 T233 F237 | V89-K178 HydrophobicContact CG1-CB 4.49Å; V89-K178 HydrophobicContact CG2-CB 3.85Å; I174-K178 WeakPolarHBondContact O-CG 3.24Å; I174-K178 PolarHBondContact O-N 3.16Å; V175-K178 PolarHBondContact O-N 2.92Å; K176-K178 VanDerWaalsContact C-N 3.34Å; K176-K178 PolarHBondContact O-N 2.93Å; K178-D181 PolarHBondContact O-N 3.08Å; K178-L182 WeakPolarHBondContact O-CB 3.35Å; K178-L182 WeakPolarHBondContact O-CG 3.2Å; K178-L182 PolarHBondContact O-N 2.98Å; K178-T233 HydrophobicContact CD-CG2 3.82Å; K178-F237 HydrophobicContact CD-CD2 4.39Å; K178-F237 HydrophobicContact CG-CD2 3.98Å; K178-F237 HydrophobicContact CG-CE2 4.17Å |
| 179 | R | 93.3 | Very high | 93 | Very high | 110 Ų | 110 | 60.6 Ų | 60.6 | 42% | 0.415 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 174.5 | -124.7 | -173.3 | -75.3 | 141.2 | 6.4 | 111.8 | V89 E93 V175 K176 M177 L182 K183 | V89-R179 HydrophobicContact CG1-CG 4.45Å; E93-R179 IonicContact OE1-CZ 3.54Å; E93-R179 IonicContact OE1-NH1 3.25Å; E93-R179 IonicContact OE1-NH2 3.15Å; E93-R179 PolarHBondContact OE1-NH2 2.78Å; E93-R179 IonicContact OE2-CZ 3.94Å; E93-R179 VanDerWaalsContact OE2-CZ 3.25Å; E93-R179 IonicContact OE2-NE 3.49Å; E93-R179 PolarHBondContact OE2-NE 3.43Å; E93-R179 IonicContact OE2-NH2 3.97Å; E93-R179 PolarHBondContact OE2-NH2 3.41Å; V175-R179 VanDerWaalsContact CG1-NH2 3.28Å; V175-R179 PolarHBondContact O-N 3.39Å; K176-R179 WeakPolarHBondContact O-CB 3.35Å; K176-R179 PolarHBondContact O-N 3.48Å; K176-R179 VanDerWaalsContact O-N 3.16Å; M177-R179 VanDerWaalsContact C-N 3.29Å; M177-R179 PolarHBondContact O-N 2.87Å; R179-L182 PolarHBondContact O-N 3.17Å; R179-K183 WeakPolarHBondContact O-CB 3.42Å; R179-K183 PolarHBondContact O-N 3.03Å |
| 180 | D | 92.3 | Very high | 92.6 | Very high | 90 Ų | 90 | 59.4 Ų | 59.4 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 175.7 | -69.5 | -27.1 | 0 | 0 | 0 | 111.5 | K176 M177 L182 K183 A184 | K176-D180 PolarHBondContact O-N 3.38Å; M177-D180 PolarHBondContact O-N 3.21Å; M177-D180 VanDerWaalsContact O-N 3.17Å; D180-L182 PolarHBondContact O-N 2.85Å; D180-K183 PolarHBondContact O-N 3.43Å; D180-A184 PolarHBondContact O-N 3.18Å |
| 181 | D | 88.8 | Confident | 92.3 | Very high | 53 Ų | 53 | 64.1 Ų | 64.1 | 28% | 0.283 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 174.6 | -67.4 | -23.2 | 0 | 0 | 0 | 112 | M177 K178 A184 T185 | M177-D181 PolarHBondContact O-N 3.16Å; K178-D181 PolarHBondContact O-N 3.08Å; D181-A184 PolarHBondContact O-N 3.45Å; D181-T185 PolarHBondContact O-N 2.94Å; D181-T185 PolarHBondContact O-OG1 3.34Å |
| 182 | L | 90.1 | Very high | 92 | Very high | 9 Ų | 9 | 64.5 Ų | 64.5 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 174.8 | -86.2 | 168.4 | 0 | 0 | 0 | 111.6 | T82 L85 Q86 V89 K178 R179 D180 A184 T185 L186 L230 | T82-L182 HydrophobicContact CG2-CD2 4.07Å; L85-L182 HydrophobicContact CB-CD2 4.1Å; L85-L182 HydrophobicContact CD2-CD1 4.43Å; L85-L182 HydrophobicContact CD2-CD2 3.63Å; L85-L182 HydrophobicContact CD2-CG 3.93Å; L85-L182 HydrophobicContact CG-CD1 4.11Å; L85-L182 HydrophobicContact CG-CD2 3.84Å; L85-L182 HydrophobicContact CG-CG 4.13Å; Q86-L182 HydrophobicContact CB-CD1 4.38Å; V89-L182 HydrophobicContact CB-CD1 4.41Å; V89-L182 HydrophobicContact CG2-CD1 4.06Å; K178-L182 WeakPolarHBondContact O-CB 3.35Å; K178-L182 WeakPolarHBondContact O-CG 3.2Å; K178-L182 PolarHBondContact O-N 2.98Å; R179-L182 PolarHBondContact O-N 3.17Å; D180-L182 PolarHBondContact O-N 2.85Å; L182-A184 VanDerWaalsContact C-N 3.33Å; L182-A184 PolarHBondContact O-N 3.3Å; L182-T185 PolarHBondContact O-N 2.73Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 3.04Å; L182-L230 HydrophobicContact CD2-CD1 4Å |
| 183 | K | 91.9 | Very high | 91.6 | Very high | 142 Ų | 142 | 64.4 Ų | 64.4 | 62% | 0.617 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.5 | -39.9 | 179.2 | -175 | 179.2 | 179.3 | -179.2 | 0 | 111.8 | R179 D180 T187 | R179-K183 WeakPolarHBondContact O-CB 3.42Å; R179-K183 PolarHBondContact O-N 3.03Å; D180-K183 PolarHBondContact O-N 3.43Å; K183-T187 WeakPolarHBondContact O-CB 3.39Å; K183-T187 PolarHBondContact O-N 3.24Å; K183-T187 PolarHBondContact O-OG1 3Å |
| 184 | A | 90.8 | Very high | 91.3 | Very high | 58 Ų | 58 | 67.1 Ų | 67.1 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | D180 D181 L182 T187 A188 | D180-A184 PolarHBondContact O-N 3.18Å; D181-A184 PolarHBondContact O-N 3.45Å; L182-A184 VanDerWaalsContact C-N 3.33Å; L182-A184 PolarHBondContact O-N 3.3Å; A184-T187 WeakPolarHBondContact O-CB 3.42Å; A184-T187 PolarHBondContact O-N 3.42Å; A184-A188 PolarHBondContact O-N 3.23Å |
| 185 | T | 88.5 | Confident | 91.1 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 178.6 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | D181 L182 T187 A188 R189 L230 | D181-T185 PolarHBondContact O-N 2.94Å; D181-T185 PolarHBondContact O-OG1 3.34Å; L182-T185 PolarHBondContact O-N 2.73Å; T185-T187 VanDerWaalsContact C-N 3.28Å; T185-T187 PolarHBondContact O-N 2.97Å; T185-A188 PolarHBondContact O-N 3.27Å; T185-R189 WeakPolarHBondContact O-CB 3.5Å; T185-R189 WeakPolarHBondContact O-CG 3.4Å; T185-R189 PolarHBondContact O-N 3.19Å; T185-L230 HydrophobicContact CG2-CB 4.42Å; T185-L230 HydrophobicContact CG2-CD1 4.44Å; T185-L230 HydrophobicContact CG2-CD2 4.12Å |
| 186 | L | 89.4 | Confident | 90.7 | Very high | 62 Ų | 62 | 69 Ų | 69 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 174.9 | -75.3 | 171.1 | 0 | 0 | 0 | 112.1 | T82 L182 R189 N190 | T82-L186 HydrophobicContact CG2-CD2 3.66Å; T82-L186 HydrophobicContact CG2-CG 4Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 3.04Å; L186-R189 PolarHBondContact O-N 3.25Å; L186-N190 WeakPolarHBondContact O-CB 3.43Å; L186-N190 VanDerWaalsContact O-CG 3.22Å; L186-N190 PolarHBondContact O-N 3.05Å; L186-N190 PolarHBondContact O-ND2 3.2Å; L186-N190 VanDerWaalsContact O-ND2 3.12Å |
| 187 | T | 92 | Very high | 90.3 | Very high | 55 Ų | 55 | 65.3 Ų | 65.3 | 34% | 0.337 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 178.3 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | K183 A184 T185 R189 N190 R191 | K183-T187 WeakPolarHBondContact O-CB 3.39Å; K183-T187 PolarHBondContact O-N 3.24Å; K183-T187 PolarHBondContact O-OG1 3Å; A184-T187 WeakPolarHBondContact O-CB 3.42Å; A184-T187 PolarHBondContact O-N 3.42Å; T185-T187 VanDerWaalsContact C-N 3.28Å; T185-T187 PolarHBondContact O-N 2.97Å; T187-R189 VanDerWaalsContact C-N 3.33Å; T187-R189 PolarHBondContact O-N 3.35Å; T187-N190 PolarHBondContact O-N 3.43Å; T187-R191 WeakPolarHBondContact O-CG 3.45Å; T187-R191 PolarHBondContact O-N 2.93Å |
| 188 | A | 90.8 | Very high | 90 | Very high | 5 Ų | 5 | 64.1 Ų | 64.1 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A184 T185 R191 E192 T226 | A184-A188 PolarHBondContact O-N 3.23Å; T185-A188 PolarHBondContact O-N 3.27Å; A188-R191 WeakPolarHBondContact O-CB 3.37Å; A188-R191 PolarHBondContact O-N 3.23Å; A188-E192 PolarHBondContact O-N 2.87Å; A188-T226 HydrophobicContact CB-CG2 4.14Å |
| 189 | R | 85.9 | Confident | 89.7 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62 | -46.6 | 176.5 | -72.1 | -80.4 | 161.6 | -155.9 | -6.6 | 112.9 | T185 L186 T187 R191 E192 A193 A223 S227 | T185-R189 WeakPolarHBondContact O-CB 3.5Å; T185-R189 WeakPolarHBondContact O-CG 3.4Å; T185-R189 PolarHBondContact O-N 3.19Å; L186-R189 PolarHBondContact O-N 3.25Å; T187-R189 VanDerWaalsContact C-N 3.33Å; T187-R189 PolarHBondContact O-N 3.35Å; R189-R191 VanDerWaalsContact C-N 3.27Å; R189-R191 PolarHBondContact O-N 3.34Å; R189-E192 IonicContact CZ-OE2 3.76Å; R189-E192 IonicContact NH1-OE2 3.36Å; R189-E192 PolarHBondContact NH1-OE2 2.79Å; R189-E192 WeakPolarHBondContact O-CB 3.25Å; R189-E192 PolarHBondContact O-N 2.58Å; R189-A193 PolarHBondContact O-N 3.02Å; R189-A223 VanDerWaalsContact NH2-C 3.31Å; R189-A223 PolarHBondContact NH2-O 2.62Å; R189-S227 PolarHBondContact NE-OG 3.41Å; R189-S227 VanDerWaalsContact NH2-CB 3.28Å; R189-S227 PolarHBondContact NH2-OG 3Å |
| 190 | N | 90 | Very high | 89.3 | Confident | 94 Ų | 94 | 64.9 Ų | 64.9 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.9 | -33.1 | 177 | -76.1 | -32.6 | 0 | 0 | 0 | 112.4 | L186 T187 K194 | L186-N190 WeakPolarHBondContact O-CB 3.43Å; L186-N190 VanDerWaalsContact O-CG 3.22Å; L186-N190 PolarHBondContact O-N 3.05Å; L186-N190 PolarHBondContact O-ND2 3.2Å; L186-N190 VanDerWaalsContact O-ND2 3.12Å; T187-N190 PolarHBondContact O-N 3.43Å; N190-K194 WeakPolarHBondContact O-CB 3.49Å; N190-K194 VanDerWaalsContact O-CG 3.25Å; N190-K194 WeakPolarHBondContact O-CG 3.33Å; N190-K194 PolarHBondContact O-N 2.84Å; N190-K194 VanDerWaalsContact O-N 3.09Å |
| 191 | R | 91.3 | Very high | 89.1 | Confident | 150 Ų | 150 | 68.9 Ų | 68.9 | 57% | 0.566 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -68 | -43.7 | 173 | -72.3 | 173.1 | -176.4 | 166.4 | 1.4 | 111.6 | T187 A188 R189 K194 Q195 | T187-R191 WeakPolarHBondContact O-CG 3.45Å; T187-R191 PolarHBondContact O-N 2.93Å; A188-R191 WeakPolarHBondContact O-CB 3.37Å; A188-R191 PolarHBondContact O-N 3.23Å; R189-R191 VanDerWaalsContact C-N 3.27Å; R189-R191 PolarHBondContact O-N 3.34Å; R191-K194 PolarHBondContact O-N 2.88Å; R191-Q195 WeakPolarHBondContact O-CB 3.41Å; R191-Q195 WeakPolarHBondContact O-CG 3.2Å; R191-Q195 PolarHBondContact O-N 3.41Å |
| 192 | E | 91.1 | Very high | 88.9 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57 | -49.4 | 173.8 | 178.8 | 178.7 | -144 | 0 | 0 | 111.3 | A188 R189 K194 Q195 L196 A219 T220 A223 | A188-E192 PolarHBondContact O-N 2.87Å; R189-E192 IonicContact CZ-OE2 3.76Å; R189-E192 IonicContact NH1-OE2 3.36Å; R189-E192 PolarHBondContact NH1-OE2 2.79Å; R189-E192 WeakPolarHBondContact O-CB 3.25Å; R189-E192 PolarHBondContact O-N 2.58Å; E192-K194 VanDerWaalsContact C-N 3.35Å; E192-K194 PolarHBondContact O-N 3.11Å; E192-Q195 PolarHBondContact O-N 3.09Å; E192-L196 HydrophobicContact CG-CD1 4.16Å; E192-L196 WeakPolarHBondContact O-CG 3.35Å; E192-L196 PolarHBondContact O-N 3.07Å; E192-A219 HydrophobicContact CB-CB 4.42Å; E192-T220 VanDerWaalsContact OE1-CA 3.31Å; E192-T220 WeakPolarHBondContact OE1-CA 3.28Å; E192-T220 VanDerWaalsContact OE1-CB 3.31Å; E192-T220 WeakPolarHBondContact OE1-CB 3.33Å; E192-T220 WeakPolarHBondContact OE1-CG2 3.44Å; E192-T220 PolarHBondContact OE1-OG1 3.48Å; E192-A223 HydrophobicContact CB-CB 3.94Å; E192-A223 HydrophobicContact CG-CB 4.36Å; E192-A223 WeakPolarHBondContact OE2-CB 3.41Å |
| 193 | A | 88.6 | Confident | 88.5 | Confident | 50 Ų | 50 | 76.3 Ų | 76.3 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R189 S197 | R189-A193 PolarHBondContact O-N 3.02Å; A193-S197 PolarHBondContact O-N 2.83Å; A193-S197 VanDerWaalsContact O-N 3.11Å; A193-S197 PolarHBondContact O-OG 3.31Å |
| 194 | K | 90.9 | Very high | 87.9 | Confident | 151 Ų | 151 | 77.7 Ų | 77.7 | 66% | 0.657 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.2 | -45 | 175 | -75.6 | 175.1 | -177.7 | -176.2 | 0 | 111.7 | N190 R191 E192 S197 Q198 | N190-K194 WeakPolarHBondContact O-CB 3.49Å; N190-K194 VanDerWaalsContact O-CG 3.25Å; N190-K194 WeakPolarHBondContact O-CG 3.33Å; N190-K194 PolarHBondContact O-N 2.84Å; N190-K194 VanDerWaalsContact O-N 3.09Å; R191-K194 PolarHBondContact O-N 2.88Å; E192-K194 VanDerWaalsContact C-N 3.35Å; E192-K194 PolarHBondContact O-N 3.11Å; K194-S197 PolarHBondContact O-N 2.88Å; K194-Q198 WeakPolarHBondContact O-CB 3.18Å; K194-Q198 PolarHBondContact O-N 2.97Å |
| 195 | Q | 89.8 | Confident | 87.4 | Confident | 37 Ų | 37 | 85.6 Ų | 85.6 | 17% | 0.173 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.4 | -35.2 | 179.1 | -72.1 | -66.3 | -0.9 | 0 | 0 | 112.3 | R191 E192 Q198 L199 E215 L216 A219 | R191-Q195 WeakPolarHBondContact O-CB 3.41Å; R191-Q195 WeakPolarHBondContact O-CG 3.2Å; R191-Q195 PolarHBondContact O-N 3.41Å; E192-Q195 PolarHBondContact O-N 3.09Å; Q195-Q198 PolarHBondContact O-N 3.35Å; Q195-L199 WeakPolarHBondContact O-CB 3.34Å; Q195-L199 PolarHBondContact O-N 3.44Å; Q195-E215 PolarHBondContact NE2-OE2 3.05Å; Q195-E215 VanDerWaalsContact NE2-OE2 3.16Å; Q195-L216 HydrophobicContact CB-CB 4.42Å; Q195-L216 HydrophobicContact CB-CD1 4.11Å; Q195-A219 HydrophobicContact CB-CB 4.32Å; Q195-A219 HydrophobicContact CG-CB 4.18Å |
| 196 | L | 87.6 | Confident | 86.8 | Confident | 54 Ų | 54 | 89.7 Ų | 89.7 | 28% | 0.283 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 170.6 | -78 | 167.9 | 0 | 0 | 0 | 111.3 | E192 Q198 L199 E200 L216 | E192-L196 HydrophobicContact CG-CD1 4.16Å; E192-L196 WeakPolarHBondContact O-CG 3.35Å; E192-L196 PolarHBondContact O-N 3.07Å; L196-Q198 VanDerWaalsContact C-N 3.29Å; L196-Q198 PolarHBondContact O-N 2.94Å; L196-L199 PolarHBondContact O-N 3.3Å; L196-E200 PolarHBondContact O-N 3.39Å; L196-L216 HydrophobicContact CB-CD1 4.34Å; L196-L216 HydrophobicContact CD2-CD1 3.56Å; L196-L216 HydrophobicContact CD2-CD2 3.56Å; L196-L216 HydrophobicContact CD2-CG 4.19Å; L196-L216 HydrophobicContact CG-CD1 3.51Å; L196-L216 HydrophobicContact CG-CD2 4.39Å |
| 197 | S | 87.6 | Confident | 86 | Confident | 56 Ų | 56 | 91.7 Ų | 91.7 | 39% | 0.392 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 179.7 | -54.9 | 0 | 0 | 0 | 0 | 112.2 | A193 K194 R201 | A193-S197 PolarHBondContact O-N 2.83Å; A193-S197 VanDerWaalsContact O-N 3.11Å; A193-S197 PolarHBondContact O-OG 3.31Å; K194-S197 PolarHBondContact O-N 2.88Å; S197-R201 WeakPolarHBondContact O-CG 3.41Å; S197-R201 PolarHBondContact O-N 3.02Å |
| 198 | Q | 87.4 | Confident | 85.2 | Confident | 91 Ų | 91 | 93.8 Ų | 93.8 | 43% | 0.425 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.8 | -42 | 176.7 | -179.4 | 172.8 | -16 | 0 | 0 | 111.8 | K194 Q195 L196 R201 T202 | K194-Q198 WeakPolarHBondContact O-CB 3.18Å; K194-Q198 PolarHBondContact O-N 2.97Å; Q195-Q198 PolarHBondContact O-N 3.35Å; L196-Q198 VanDerWaalsContact C-N 3.29Å; L196-Q198 PolarHBondContact O-N 2.94Å; Q198-R201 PolarHBondContact O-N 3.13Å; Q198-T202 WeakPolarHBondContact O-CB 3.43Å; Q198-T202 PolarHBondContact O-N 3.16Å; Q198-T202 PolarHBondContact O-OG1 2.93Å |
| 199 | L | 85.3 | Confident | 84.5 | Confident | 35 Ų | 35 | 96.6 Ų | 96.6 | 18% | 0.183 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 175.9 | -178.7 | 64.9 | 0 | 0 | 0 | 111.4 | Q195 L196 R201 T202 R203 A212 E213 L216 | Q195-L199 WeakPolarHBondContact O-CB 3.34Å; Q195-L199 PolarHBondContact O-N 3.44Å; L196-L199 PolarHBondContact O-N 3.3Å; L199-R201 VanDerWaalsContact C-N 3.33Å; L199-R201 PolarHBondContact O-N 2.63Å; L199-T202 PolarHBondContact O-N 3.43Å; L199-R203 VanDerWaalsContact O-CB 3.27Å; L199-R203 WeakPolarHBondContact O-CB 3.4Å; L199-R203 PolarHBondContact O-N 3.5Å; L199-A212 HydrophobicContact CD1-CB 3.67Å; L199-E213 HydrophobicContact CD1-CG 3.84Å; L199-L216 HydrophobicContact CB-CD2 4.46Å; L199-L216 HydrophobicContact CD2-CB 4.45Å; L199-L216 HydrophobicContact CD2-CD2 3.34Å |
| 200 | E | 86.2 | Confident | 84.3 | Confident | 132 Ų | 132 | 104.2 Ų | 104.2 | 62% | 0.617 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.7 | -43.5 | 176.8 | -74.4 | -179.1 | 174.2 | 0 | 0 | 112.3 | L196 Q204 | L196-E200 PolarHBondContact O-N 3.39Å; E200-Q204 WeakPolarHBondContact O-CG 3.41Å; E200-Q204 PolarHBondContact O-N 3.27Å |
| 201 | R | 86.4 | Confident | 84 | Confident | 174 Ų | 174 | 105.4 Ų | 105.4 | 66% | 0.657 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.9 | -41.4 | 176.6 | -69.5 | 174.3 | -175.8 | 176.5 | 1.6 | 112.7 | S197 Q198 L199 Q204 R205 | S197-R201 WeakPolarHBondContact O-CG 3.41Å; S197-R201 PolarHBondContact O-N 3.02Å; Q198-R201 PolarHBondContact O-N 3.13Å; L199-R201 VanDerWaalsContact C-N 3.33Å; L199-R201 PolarHBondContact O-N 2.63Å; R201-Q204 PolarHBondContact O-N 3.01Å; R201-R205 PolarHBondContact O-N 3.37Å |
| 202 | T | 84.7 | Confident | 83.5 | Confident | 30 Ų | 30 | 98.5 Ų | 98.5 | 18% | 0.184 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -67.9 | -40.4 | -178.4 | -52.6 | 0 | 0 | 0 | 0 | 110.3 | Q198 L199 Q204 R205 N206 D209 A212 | Q198-T202 WeakPolarHBondContact O-CB 3.43Å; Q198-T202 PolarHBondContact O-N 3.16Å; Q198-T202 PolarHBondContact O-OG1 2.93Å; L199-T202 PolarHBondContact O-N 3.43Å; T202-Q204 VanDerWaalsContact C-N 3.29Å; T202-Q204 PolarHBondContact O-N 3.06Å; T202-R205 PolarHBondContact O-N 3.42Å; T202-N206 CarbonylContact O-C 3.56Å; T202-N206 PolarHBondContact O-N 3.29Å; T202-D209 HydrophobicContact CG2-CB 4.04Å; T202-D209 WeakPolarHBondContact CG2-OD2 3.25Å; T202-A212 HydrophobicContact CG2-CB 4.4Å |
| 203 | R | 82.8 | Confident | 83.2 | Confident | 189 Ų | 189 | 101.4 Ų | 101.4 | 71% | 0.713 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.1 | -33 | 176.4 | -167.4 | 178.1 | -178.6 | -171.1 | 0.9 | 113.4 | L199 R205 | L199-R203 VanDerWaalsContact O-CB 3.27Å; L199-R203 WeakPolarHBondContact O-CB 3.4Å; L199-R203 PolarHBondContact O-N 3.5Å; R203-R205 VanDerWaalsContact C-N 3.35Å |
| 204 | Q | 78.9 | Confident | 83.2 | Confident | 171 Ų | 171 | 103.2 Ų | 103.2 | 80% | 0.799 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71.8 | -27.3 | 174.7 | -71.2 | 175.4 | 7.7 | 0 | 0 | 113.1 | E200 R201 T202 | E200-Q204 WeakPolarHBondContact O-CG 3.41Å; E200-Q204 PolarHBondContact O-N 3.27Å; R201-Q204 PolarHBondContact O-N 3.01Å; T202-Q204 VanDerWaalsContact C-N 3.29Å; T202-Q204 PolarHBondContact O-N 3.06Å |
| 205 | R | 80.6 | Confident | 83 | Confident | 223 Ų | 223 | 99.4 Ų | 99.4 | 84% | 0.842 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -96.6 | -40 | -177.1 | -69.4 | -179.7 | 176.9 | 179.5 | -2.1 | 113.3 | R201 T202 R203 | R201-R205 PolarHBondContact O-N 3.37Å; T202-R205 PolarHBondContact O-N 3.42Å; R203-R205 VanDerWaalsContact C-N 3.35Å |
| 206 | N | 76 | Confident | 82.9 | Confident | 90 Ų | 90 | 98.7 Ų | 98.7 | 48% | 0.481 | 47% | 0.471 | S | S | . | . | trans | -146.5 | 92.6 | -176.1 | -163.6 | -2.2 | 0 | 0 | 0 | 110.4 | T202 S208 D209 | T202-N206 CarbonylContact O-C 3.56Å; T202-N206 PolarHBondContact O-N 3.29Å; N206-S208 PolarHBondContact O-N 3.26Å; N206-S208 VanDerWaalsContact O-N 3.13Å; N206-D209 PolarHBondContact O-N 2.99Å | ||
| 207 | P | 72.9 | Confident | 83 | Confident | 104 Ų | 104 | 102.3 Ų | 102.3 | 68% | 0.675 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -7.7 | -173.5 | 25 | -31.8 | 0 | 0 | 0 | 114.6 | ||
| 208 | S | 75 | Confident | 83.1 | Confident | 100 Ų | 100 | 109.5 Ų | 109.5 | 70% | 0.699 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -3.3 | 179.9 | -56.8 | 0 | 0 | 0 | 0 | 114.2 | N206 R210 | N206-S208 PolarHBondContact O-N 3.26Å; N206-S208 VanDerWaalsContact O-N 3.13Å; S208-R210 PolarHBondContact O-N 3.28Å |
| 209 | D | 76 | Confident | 83.3 | Confident | 63 Ų | 63 | 105.8 Ų | 105.8 | 34% | 0.337 | 49% | 0.49 | S | S | . | . | trans | -76.5 | 109.2 | -179.9 | -174.3 | 5.5 | 0 | 0 | 0 | 111.6 | T202 N206 H211 | T202-D209 HydrophobicContact CG2-CB 4.04Å; T202-D209 WeakPolarHBondContact CG2-OD2 3.25Å; N206-D209 PolarHBondContact O-N 2.99Å; D209-H211 WeakPolarHBondContact OD1-CB 3.32Å; D209-H211 PolarHBondContact OD1-N 3.48Å | ||
| 210 | R | 80.9 | Confident | 83.5 | Confident | 181 Ų | 181 | 106.3 Ų | 106.3 | 68% | 0.683 | 50% | 0.495 | S | S | * | . | trans | -88.6 | -10.2 | -179.6 | -52.3 | -159.9 | 75.7 | 117.3 | 15 | 113.6 | S208 E213 T214 | S208-R210 PolarHBondContact O-N 3.28Å; R210-E213 IonicContact CZ-OE2 3.5Å; R210-E213 IonicContact NE-OE2 3.13Å; R210-E213 IonicContact NH2-OE2 3.93Å; R210-E213 PolarHBondContact NH2-OE2 2.91Å; R210-E213 PolarHBondContact O-N 2.88Å; R210-T214 PolarHBondContact O-N 3.33Å; R210-T214 PolarHBondContact O-OG1 2.64Å; R210-T214 VanDerWaalsContact O-OG1 3.13Å | ||
| 211 | H | 84.1 | Confident | 83.7 | Confident | 120 Ų | 120 | 105.5 Ų | 105.5 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67 | -47 | -174.5 | -175.2 | 57.1 | 0 | 0 | 0 | 111.1 | D209 E213 T214 E215 | D209-H211 WeakPolarHBondContact OD1-CB 3.32Å; D209-H211 PolarHBondContact OD1-N 3.48Å; H211-E213 VanDerWaalsContact C-N 3.26Å; H211-E213 PolarHBondContact O-N 3.03Å; H211-T214 PolarHBondContact O-N 3.39Å; H211-T214 VanDerWaalsContact O-N 3.08Å; H211-E215 IonicContact NE2-OE1 3.88Å; H211-E215 PolarHBondContact O-N 2.85Å; H211-E215 VanDerWaalsContact O-N 3.08Å |
| 212 | A | 81.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 100.4 Ų | 100.4 | 3% | 0.033 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -61.1 | -31.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L199 T202 T214 L216 | L199-A212 HydrophobicContact CD1-CB 3.67Å; T202-A212 HydrophobicContact CG2-CB 4.4Å; A212-T214 VanDerWaalsContact C-N 3.35Å; A212-L216 WeakPolarHBondContact O-CB 3.21Å; A212-L216 PolarHBondContact O-N 3.31Å; A212-L216 VanDerWaalsContact O-N 3.1Å |
| 213 | E | 83.9 | Confident | 84 | Confident | 75 Ų | 75 | 99 Ų | 99 | 35% | 0.35 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 175 | -63.8 | -175.6 | 155.2 | 0 | 0 | 111.3 | L199 R210 H211 Q217 | L199-E213 HydrophobicContact CD1-CG 3.84Å; R210-E213 IonicContact CZ-OE2 3.5Å; R210-E213 IonicContact NE-OE2 3.13Å; R210-E213 IonicContact NH2-OE2 3.93Å; R210-E213 PolarHBondContact NH2-OE2 2.91Å; R210-E213 PolarHBondContact O-N 2.88Å; H211-E213 VanDerWaalsContact C-N 3.26Å; H211-E213 PolarHBondContact O-N 3.03Å; E213-Q217 WeakPolarHBondContact O-CG 3.36Å; E213-Q217 PolarHBondContact O-N 2.88Å |
| 214 | T | 87.6 | Confident | 84.3 | Confident | 87 Ų | 87 | 92.5 Ų | 92.5 | 53% | 0.534 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.5 | -41.4 | -178.3 | -50.7 | 0 | 0 | 0 | 0 | 111.2 | R210 H211 A212 Q217 R218 | R210-T214 PolarHBondContact O-N 3.33Å; R210-T214 PolarHBondContact O-OG1 2.64Å; R210-T214 VanDerWaalsContact O-OG1 3.13Å; H211-T214 PolarHBondContact O-N 3.39Å; H211-T214 VanDerWaalsContact O-N 3.08Å; A212-T214 VanDerWaalsContact C-N 3.35Å; T214-Q217 PolarHBondContact O-N 3.34Å; T214-R218 PolarHBondContact O-N 3.48Å; T214-R218 VanDerWaalsContact O-N 3.11Å |
| 215 | E | 87.6 | Confident | 84.8 | Confident | 72 Ų | 72 | 93.4 Ų | 93.4 | 34% | 0.336 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 175.5 | -67.2 | -151.6 | 133.6 | 0 | 0 | 112.2 | Q195 H211 R218 A219 | Q195-E215 PolarHBondContact NE2-OE2 3.05Å; Q195-E215 VanDerWaalsContact NE2-OE2 3.16Å; H211-E215 IonicContact NE2-OE1 3.88Å; H211-E215 PolarHBondContact O-N 2.85Å; H211-E215 VanDerWaalsContact O-N 3.08Å; E215-R218 PolarHBondContact O-N 3.32Å; E215-A219 PolarHBondContact O-N 2.99Å |
| 216 | L | 88 | Confident | 85.1 | Confident | 22 Ų | 22 | 84 Ų | 84 | 12% | 0.115 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 174.3 | 172.7 | 62.2 | 0 | 0 | 0 | 111.5 | Q195 L196 L199 A212 R218 A219 T220 | Q195-L216 HydrophobicContact CB-CB 4.42Å; Q195-L216 HydrophobicContact CB-CD1 4.11Å; L196-L216 HydrophobicContact CB-CD1 4.34Å; L196-L216 HydrophobicContact CD2-CD1 3.56Å; L196-L216 HydrophobicContact CD2-CD2 3.56Å; L196-L216 HydrophobicContact CD2-CG 4.19Å; L196-L216 HydrophobicContact CG-CD1 3.51Å; L196-L216 HydrophobicContact CG-CD2 4.39Å; L199-L216 HydrophobicContact CB-CD2 4.46Å; L199-L216 HydrophobicContact CD2-CB 4.45Å; L199-L216 HydrophobicContact CD2-CD2 3.34Å; A212-L216 WeakPolarHBondContact O-CB 3.21Å; A212-L216 PolarHBondContact O-N 3.31Å; A212-L216 VanDerWaalsContact O-N 3.1Å; L216-R218 PolarHBondContact O-N 3.09Å; L216-A219 PolarHBondContact O-N 3.37Å; L216-A219 VanDerWaalsContact O-N 3.1Å; L216-T220 PolarHBondContact O-N 2.96Å; L216-T220 PolarHBondContact O-OG1 3.15Å |
| 217 | Q | 88.9 | Confident | 85.5 | Confident | 129 Ų | 129 | 80.1 Ų | 80.1 | 60% | 0.603 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -55.4 | -43.6 | 178.7 | -79.7 | -179.7 | -5.4 | 0 | 0 | 111.5 | E213 T214 T220 I221 | E213-Q217 WeakPolarHBondContact O-CG 3.36Å; E213-Q217 PolarHBondContact O-N 2.88Å; T214-Q217 PolarHBondContact O-N 3.34Å; Q217-T220 PolarHBondContact O-N 3.44Å; Q217-I221 VanDerWaalsContact O-CG1 3.27Å; Q217-I221 WeakPolarHBondContact O-CG1 3.21Å; Q217-I221 PolarHBondContact O-N 2.9Å |
| 218 | R | 91 | Very high | 86 | Confident | 207 Ų | 207 | 82.9 Ų | 82.9 | 78% | 0.781 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.5 | -45.2 | 176.3 | -170.7 | 177.8 | -178.8 | 175.7 | 1.2 | 112.1 | T214 E215 L216 I221 D222 | T214-R218 PolarHBondContact O-N 3.48Å; T214-R218 VanDerWaalsContact O-N 3.11Å; E215-R218 PolarHBondContact O-N 3.32Å; L216-R218 PolarHBondContact O-N 3.09Å; R218-I221 PolarHBondContact O-N 2.93Å; R218-D222 PolarHBondContact O-N 3.15Å; R218-D222 VanDerWaalsContact O-N 3.09Å |
| 219 | A | 90.1 | Very high | 86.6 | Confident | 14 Ų | 14 | 82.7 Ų | 82.7 | 12% | 0.116 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65 | -37.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E192 Q195 E215 L216 D222 A223 | E192-A219 HydrophobicContact CB-CB 4.42Å; Q195-A219 HydrophobicContact CB-CB 4.32Å; Q195-A219 HydrophobicContact CG-CB 4.18Å; E215-A219 PolarHBondContact O-N 2.99Å; L216-A219 PolarHBondContact O-N 3.37Å; L216-A219 VanDerWaalsContact O-N 3.1Å; A219-D222 PolarHBondContact O-N 3.22Å; A219-A223 WeakPolarHBondContact O-CB 3.42Å; A219-A223 PolarHBondContact O-N 3.44Å |
| 220 | T | 89.2 | Confident | 86.9 | Confident | 46 Ų | 46 | 79.8 Ų | 79.8 | 28% | 0.282 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 175.7 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | E192 L216 Q217 D222 A223 T224 | E192-T220 VanDerWaalsContact OE1-CA 3.31Å; E192-T220 WeakPolarHBondContact OE1-CA 3.28Å; E192-T220 VanDerWaalsContact OE1-CB 3.31Å; E192-T220 WeakPolarHBondContact OE1-CB 3.33Å; E192-T220 WeakPolarHBondContact OE1-CG2 3.44Å; E192-T220 PolarHBondContact OE1-OG1 3.48Å; L216-T220 PolarHBondContact O-N 2.96Å; L216-T220 PolarHBondContact O-OG1 3.15Å; Q217-T220 PolarHBondContact O-N 3.44Å; T220-D222 VanDerWaalsContact C-N 3.33Å; T220-D222 PolarHBondContact O-N 3.46Å; T220-A223 PolarHBondContact O-N 3.39Å; T220-T224 HydrophobicContact CG2-CG2 4.32Å; T220-T224 WeakPolarHBondContact O-CB 3.35Å; T220-T224 VanDerWaalsContact O-CG2 3.29Å; T220-T224 WeakPolarHBondContact O-CG2 3.34Å; T220-T224 PolarHBondContact O-N 2.94Å; T220-T224 PolarHBondContact O-OG1 3.26Å |
| 221 | I | 92.1 | Very high | 86.9 | Confident | 115 Ų | 115 | 75.4 Ų | 75.4 | 59% | 0.59 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.5 | -44 | 174.3 | -69.1 | 165.4 | 0 | 0 | 0 | 110.5 | Q217 R218 T224 R225 | Q217-I221 VanDerWaalsContact O-CG1 3.27Å; Q217-I221 WeakPolarHBondContact O-CG1 3.21Å; Q217-I221 PolarHBondContact O-N 2.9Å; R218-I221 PolarHBondContact O-N 2.93Å; I221-T224 WeakPolarHBondContact CA-OG1 3.48Å; I221-T224 PolarHBondContact O-OG1 3.17Å; I221-R225 WeakPolarHBondContact O-CB 3.19Å; I221-R225 PolarHBondContact O-N 2.96Å |
| 222 | D | 89.6 | Confident | 87 | Confident | 66 Ų | 66 | 75 Ų | 75 | 35% | 0.353 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 177.9 | -167 | 30.3 | 0 | 0 | 0 | 111.6 | R218 A219 T220 T224 R225 T226 | R218-D222 PolarHBondContact O-N 3.15Å; R218-D222 VanDerWaalsContact O-N 3.09Å; A219-D222 PolarHBondContact O-N 3.22Å; T220-D222 VanDerWaalsContact C-N 3.33Å; T220-D222 PolarHBondContact O-N 3.46Å; D222-T224 PolarHBondContact O-N 2.95Å; D222-R225 WeakPolarHBondContact O-CB 3.34Å; D222-R225 PolarHBondContact O-N 3.02Å; D222-T226 PolarHBondContact O-N 2.97Å; D222-T226 PolarHBondContact O-OG1 3.42Å |
| 223 | A | 88 | Confident | 87 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63 | -39.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R189 E192 A219 T220 T226 S227 | R189-A223 VanDerWaalsContact NH2-C 3.31Å; R189-A223 PolarHBondContact NH2-O 2.62Å; E192-A223 HydrophobicContact CB-CB 3.94Å; E192-A223 HydrophobicContact CG-CB 4.36Å; E192-A223 WeakPolarHBondContact OE2-CB 3.41Å; A219-A223 WeakPolarHBondContact O-CB 3.42Å; A219-A223 PolarHBondContact O-N 3.44Å; T220-A223 PolarHBondContact O-N 3.39Å; A223-T226 PolarHBondContact O-OG1 3.03Å; A223-T226 VanDerWaalsContact O-OG1 3.06Å; A223-S227 WeakPolarHBondContact O-CB 3.49Å; A223-S227 PolarHBondContact O-N 2.61Å; A223-S227 PolarHBondContact O-OG 3.5Å |
| 224 | T | 87.7 | Confident | 87 | Confident | 54 Ų | 54 | 72.9 Ų | 72.9 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 175.6 | 50 | 0 | 0 | 0 | 0 | 112.1 | T220 I221 D222 R228 | T220-T224 HydrophobicContact CG2-CG2 4.32Å; T220-T224 WeakPolarHBondContact O-CB 3.35Å; T220-T224 VanDerWaalsContact O-CG2 3.29Å; T220-T224 WeakPolarHBondContact O-CG2 3.34Å; T220-T224 PolarHBondContact O-N 2.94Å; T220-T224 PolarHBondContact O-OG1 3.26Å; I221-T224 WeakPolarHBondContact CA-OG1 3.48Å; I221-T224 PolarHBondContact O-OG1 3.17Å; D222-T224 PolarHBondContact O-N 2.95Å; T224-R228 PolarHBondContact O-N 3.22Å |
| 225 | R | 90.6 | Very high | 87 | Confident | 190 Ų | 190 | 73 Ų | 73 | 72% | 0.717 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.3 | -50.3 | 173.3 | 179.3 | -174.4 | 174.3 | -177.9 | -1.3 | 111.6 | I221 D222 S227 R228 H229 | I221-R225 WeakPolarHBondContact O-CB 3.19Å; I221-R225 PolarHBondContact O-N 2.96Å; D222-R225 WeakPolarHBondContact O-CB 3.34Å; D222-R225 PolarHBondContact O-N 3.02Å; R225-S227 VanDerWaalsContact C-N 3.32Å; R225-S227 PolarHBondContact O-N 3Å; R225-R228 PolarHBondContact O-N 3.48Å; R225-H229 PolarHBondContact O-N 3.36Å; R225-H229 VanDerWaalsContact O-N 3.15Å |
| 226 | T | 87.1 | Confident | 87.2 | Confident | 26 Ų | 26 | 74.3 Ų | 74.3 | 16% | 0.16 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.3 | -33.1 | -178.3 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | A188 D222 A223 H229 L230 | A188-T226 HydrophobicContact CB-CG2 4.14Å; D222-T226 PolarHBondContact O-N 2.97Å; D222-T226 PolarHBondContact O-OG1 3.42Å; A223-T226 PolarHBondContact O-OG1 3.03Å; A223-T226 VanDerWaalsContact O-OG1 3.06Å; T226-H229 PolarHBondContact O-N 2.91Å; T226-L230 PolarHBondContact O-N 2.94Å |
| 227 | S | 82.6 | Confident | 87.4 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 5% | 0.049 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.3 | -39.2 | 176.2 | -74.6 | 0 | 0 | 0 | 0 | 113.9 | R189 A223 R225 H229 L230 E231 | R189-S227 PolarHBondContact NE-OG 3.41Å; R189-S227 VanDerWaalsContact NH2-CB 3.28Å; R189-S227 PolarHBondContact NH2-OG 3Å; A223-S227 WeakPolarHBondContact O-CB 3.49Å; A223-S227 PolarHBondContact O-N 2.61Å; A223-S227 PolarHBondContact O-OG 3.5Å; R225-S227 VanDerWaalsContact C-N 3.32Å; R225-S227 PolarHBondContact O-N 3Å; S227-H229 VanDerWaalsContact C-N 3.29Å; S227-H229 PolarHBondContact O-N 3.13Å; S227-L230 WeakPolarHBondContact O-CB 3.33Å; S227-L230 PolarHBondContact O-N 3.43Å; S227-L230 VanDerWaalsContact O-N 3.17Å; S227-E231 PolarHBondContact O-N 2.91Å |
| 228 | R | 85.1 | Confident | 87.6 | Confident | 163 Ų | 163 | 70 Ų | 70 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.5 | -41.7 | 173.2 | -173.4 | -177.4 | -61.9 | 151.5 | 2.4 | 111 | T224 R225 L230 E231 E232 | T224-R228 PolarHBondContact O-N 3.22Å; R225-R228 PolarHBondContact O-N 3.48Å; R228-L230 VanDerWaalsContact C-N 3.28Å; R228-L230 PolarHBondContact O-N 3.41Å; R228-E231 PolarHBondContact O-N 3.32Å; R228-E232 PolarHBondContact O-N 3.03Å |
| 229 | H | 86 | Confident | 87.7 | Confident | 95 Ų | 95 | 65.2 Ų | 65.2 | 44% | 0.44 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 174.4 | -175.9 | 54.7 | 0 | 0 | 0 | 111.9 | R225 T226 S227 E232 T233 | R225-H229 PolarHBondContact O-N 3.36Å; R225-H229 VanDerWaalsContact O-N 3.15Å; T226-H229 PolarHBondContact O-N 2.91Å; S227-H229 VanDerWaalsContact C-N 3.29Å; S227-H229 PolarHBondContact O-N 3.13Å; H229-E232 PolarHBondContact O-N 3.47Å; H229-T233 VanDerWaalsContact O-CB 3.25Å; H229-T233 WeakPolarHBondContact O-CB 3.48Å; H229-T233 PolarHBondContact O-N 3.34Å; H229-T233 PolarHBondContact O-OG1 3.43Å |
| 230 | L | 82.7 | Confident | 88 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 175.3 | -162.5 | 74.1 | 0 | 0 | 0 | 111.8 | T82 L85 L182 T185 T226 S227 R228 E232 T233 I234 | T82-L230 HydrophobicContact CG2-CD2 4.43Å; L85-L230 HydrophobicContact CD2-CD1 3.36Å; L85-L230 HydrophobicContact CD2-CD2 4.47Å; L85-L230 HydrophobicContact CD2-CG 3.82Å; L182-L230 HydrophobicContact CD2-CD1 4Å; T185-L230 HydrophobicContact CG2-CB 4.42Å; T185-L230 HydrophobicContact CG2-CD1 4.44Å; T185-L230 HydrophobicContact CG2-CD2 4.12Å; T226-L230 PolarHBondContact O-N 2.94Å; S227-L230 WeakPolarHBondContact O-CB 3.33Å; S227-L230 PolarHBondContact O-N 3.43Å; S227-L230 VanDerWaalsContact O-N 3.17Å; R228-L230 VanDerWaalsContact C-N 3.28Å; R228-L230 PolarHBondContact O-N 3.41Å; L230-E232 PolarHBondContact O-N 3.22Å; L230-T233 WeakPolarHBondContact O-CB 3.29Å; L230-T233 PolarHBondContact O-N 3.07Å; L230-I234 HydrophobicContact CD2-CD1 4.48Å; L230-I234 HydrophobicContact CG-CD1 4.18Å; L230-I234 VanDerWaalsContact O-CG1 3.25Å; L230-I234 WeakPolarHBondContact O-CG1 3.39Å; L230-I234 PolarHBondContact O-N 3.15Å |
| 231 | E | 82.3 | Confident | 88.3 | Confident | 90 Ų | 90 | 68.8 Ų | 68.8 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.3 | -48.5 | 178.5 | -71.6 | 175.7 | 163.7 | 0 | 0 | 112.1 | Q81 S227 R228 T233 I234 D235 | Q81-E231 PolarHBondContact NE2-OE1 3.44Å; Q81-E231 PolarHBondContact OE1-OE1 2.87Å; S227-E231 PolarHBondContact O-N 2.91Å; R228-E231 PolarHBondContact O-N 3.32Å; E231-T233 PolarHBondContact O-N 3.02Å; E231-I234 PolarHBondContact O-N 3.17Å; E231-D235 PolarHBondContact O-N 3.42Å |
| 232 | E | 84.4 | Confident | 88.6 | Confident | 111 Ų | 111 | 67.7 Ų | 67.7 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -34.8 | 176.7 | -67.9 | 170.2 | -174.1 | 0 | 0 | 112 | R228 H229 L230 N236 | R228-E232 PolarHBondContact O-N 3.03Å; H229-E232 PolarHBondContact O-N 3.47Å; L230-E232 PolarHBondContact O-N 3.22Å; E232-N236 VanDerWaalsContact O-CG 3.3Å; E232-N236 PolarHBondContact O-N 3.3Å; E232-N236 PolarHBondContact O-ND2 3.04Å |
| 233 | T | 81.9 | Confident | 89 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75.1 | -35.2 | -177 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | K178 H229 L230 E231 F237 | K178-T233 HydrophobicContact CD-CG2 3.82Å; H229-T233 VanDerWaalsContact O-CB 3.25Å; H229-T233 WeakPolarHBondContact O-CB 3.48Å; H229-T233 PolarHBondContact O-N 3.34Å; H229-T233 PolarHBondContact O-OG1 3.43Å; L230-T233 WeakPolarHBondContact O-CB 3.29Å; L230-T233 PolarHBondContact O-N 3.07Å; E231-T233 PolarHBondContact O-N 3.02Å; T233-F237 VanDerWaalsContact O-CB 3.3Å; T233-F237 WeakPolarHBondContact O-CB 3.5Å; T233-F237 PolarHBondContact O-N 2.89Å |
| 234 | I | 84.9 | Confident | 89.5 | Confident | 24 Ų | 24 | 72.8 Ų | 72.8 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.9 | -53 | 175.7 | -69.2 | 166.5 | 0 | 0 | 0 | 110.1 | L85 L230 E231 N236 F237 E238 | L85-I234 HydrophobicContact CB-CD1 3.85Å; L85-I234 HydrophobicContact CB-CG1 3.72Å; L85-I234 HydrophobicContact CD1-CG1 3.83Å; L85-I234 HydrophobicContact CD2-CD1 4.11Å; L85-I234 HydrophobicContact CD2-CG1 3.45Å; L85-I234 VanDerWaalsContact CD2-CG1 3.45Å; L85-I234 HydrophobicContact CG-CD1 4.43Å; L85-I234 HydrophobicContact CG-CG1 3.8Å; L230-I234 HydrophobicContact CD2-CD1 4.48Å; L230-I234 HydrophobicContact CG-CD1 4.18Å; L230-I234 VanDerWaalsContact O-CG1 3.25Å; L230-I234 WeakPolarHBondContact O-CG1 3.39Å; L230-I234 PolarHBondContact O-N 3.15Å; E231-I234 PolarHBondContact O-N 3.17Å; I234-N236 VanDerWaalsContact C-N 3.29Å; I234-N236 PolarHBondContact O-N 3.4Å; I234-F237 PolarHBondContact O-N 2.64Å; I234-F237 VanDerWaalsContact O-N 3.15Å; I234-E238 PolarHBondContact O-N 2.74Å |
| 235 | D | 87.7 | Confident | 90 | Very high | 89 Ų | 89 | 73.3 Ų | 73.3 | 48% | 0.476 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | -178.4 | -103.9 | 30.3 | 0 | 0 | 0 | 111.9 | E231 K239 | E231-D235 PolarHBondContact O-N 3.42Å; D235-K239 VanDerWaalsContact O-CB 3.29Å; D235-K239 WeakPolarHBondContact O-CB 3.36Å; D235-K239 WeakPolarHBondContact O-CD 3.36Å; D235-K239 WeakPolarHBondContact O-CG 3.26Å; D235-K239 PolarHBondContact O-N 3.48Å; D235-K239 IonicContact OD2-NZ 2.82Å; D235-K239 PolarHBondContact OD2-NZ 3.06Å; D235-K239 VanDerWaalsContact OD2-NZ 3.15Å |
| 236 | N | 90.6 | Very high | 90.4 | Very high | 101 Ų | 101 | 71 Ų | 71 | 54% | 0.54 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.2 | -39 | 178.8 | -72.2 | -28.4 | 0 | 0 | 0 | 111.8 | E232 I234 Q240 | E232-N236 VanDerWaalsContact O-CG 3.3Å; E232-N236 PolarHBondContact O-N 3.3Å; E232-N236 PolarHBondContact O-ND2 3.04Å; I234-N236 VanDerWaalsContact C-N 3.29Å; I234-N236 PolarHBondContact O-N 3.4Å; N236-Q240 WeakPolarHBondContact O-CB 3.19Å; N236-Q240 PolarHBondContact O-N 3.41Å |
| 237 | F | 92 | Very high | 90.9 | Very high | 5 Ų | 5 | 73.7 Ų | 73.7 | 2% | 0.022 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.3 | -47 | 176.9 | -179.9 | -113.5 | 0 | 0 | 0 | 112 | L85 A88 V89 V92 I174 K178 T233 I234 Q240 K241 | L85-F237 HydrophobicContact CD1-CD1 4.21Å; A88-F237 HydrophobicContact CB-CE1 4.47Å; V89-F237 HydrophobicContact CG2-CE1 4.04Å; V89-F237 HydrophobicContact CG2-CZ 4.27Å; V92-F237 HydrophobicContact CB-CZ 3.95Å; V92-F237 HydrophobicContact CG1-CZ 4Å; V92-F237 HydrophobicContact CG2-CE1 3.99Å; V92-F237 HydrophobicContact CG2-CZ 3.79Å; I174-F237 HydrophobicContact CG2-CD2 4.31Å; I174-F237 HydrophobicContact CG2-CE2 4.04Å; K178-F237 HydrophobicContact CD-CD2 4.39Å; K178-F237 HydrophobicContact CG-CD2 3.98Å; K178-F237 HydrophobicContact CG-CE2 4.17Å; T233-F237 VanDerWaalsContact O-CB 3.3Å; T233-F237 WeakPolarHBondContact O-CB 3.5Å; T233-F237 PolarHBondContact O-N 2.89Å; I234-F237 PolarHBondContact O-N 2.64Å; I234-F237 VanDerWaalsContact O-N 3.15Å; F237-Q240 PolarHBondContact O-N 3.5Å; F237-K241 WeakPolarHBondContact O-CB 3.44Å; F237-K241 PolarHBondContact O-N 3.37Å |
| 238 | E | 93 | Very high | 91.7 | Very high | 55 Ų | 55 | 73.6 Ų | 73.6 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 177.2 | -77.1 | -64 | 134.2 | 0 | 0 | 112 | I234 Q240 K241 I242 | I234-E238 PolarHBondContact O-N 2.74Å; E238-Q240 PolarHBondContact O-N 3.44Å; E238-K241 PolarHBondContact O-N 3.11Å; E238-K241 IonicContact OE1-NZ 3.94Å; E238-K241 PolarHBondContact OE1-NZ 3.38Å; E238-K241 VanDerWaalsContact OE2-CE 3.23Å; E238-K241 WeakPolarHBondContact OE2-CE 3.49Å; E238-K241 IonicContact OE2-NZ 3.64Å; E238-K241 PolarHBondContact OE2-NZ 3.18Å; E238-I242 WeakPolarHBondContact O-CG1 3.46Å; E238-I242 PolarHBondContact O-N 3.37Å; E238-I242 VanDerWaalsContact O-N 3.09Å |
| 239 | K | 94.8 | Very high | 92.3 | Very high | 106 Ų | 106 | 69.3 Ų | 69.3 | 46% | 0.461 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 175.2 | -74.2 | 166.6 | -170.7 | 155.9 | 0 | 111.8 | D235 K243 | D235-K239 VanDerWaalsContact O-CB 3.29Å; D235-K239 WeakPolarHBondContact O-CB 3.36Å; D235-K239 WeakPolarHBondContact O-CD 3.36Å; D235-K239 WeakPolarHBondContact O-CG 3.26Å; D235-K239 PolarHBondContact O-N 3.48Å; D235-K239 IonicContact OD2-NZ 2.82Å; D235-K239 PolarHBondContact OD2-NZ 3.06Å; D235-K239 VanDerWaalsContact OD2-NZ 3.15Å; K239-K243 WeakPolarHBondContact O-CG 3.32Å; K239-K243 PolarHBondContact O-N 3.29Å; K239-K243 VanDerWaalsContact O-N 3.13Å |
| 240 | Q | 95.4 | Very high | 93 | Very high | 88 Ų | 88 | 67.9 Ų | 67.9 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 178 | -174.4 | 63 | 32.7 | 0 | 0 | 110.7 | N236 F237 E238 I242 K243 D244 | N236-Q240 WeakPolarHBondContact O-CB 3.19Å; N236-Q240 PolarHBondContact O-N 3.41Å; F237-Q240 PolarHBondContact O-N 3.5Å; E238-Q240 PolarHBondContact O-N 3.44Å; Q240-I242 VanDerWaalsContact C-N 3.33Å; Q240-I242 PolarHBondContact O-N 2.75Å; Q240-K243 PolarHBondContact O-N 2.98Å; Q240-K243 VanDerWaalsContact O-N 3.11Å; Q240-D244 WeakPolarHBondContact CG-OD2 3.32Å; Q240-D244 PolarHBondContact NE2-OD1 3.21Å; Q240-D244 PolarHBondContact NE2-OD2 3.04Å; Q240-D244 WeakPolarHBondContact O-CB 3.31Å; Q240-D244 VanDerWaalsContact O-CG 3.3Å; Q240-D244 PolarHBondContact O-N 3.36Å |
| 241 | K | 96.6 | Very high | 93.7 | Very high | 47 Ų | 47 | 70.3 Ų | 70.3 | 20% | 0.204 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -51.4 | -49.4 | 176.2 | -177.8 | -172.9 | 70.5 | -170.9 | 0 | 112.5 | V92 F96 Y171 F237 E238 D244 I245 | V92-K241 HydrophobicContact CG2-CD 3.42Å; V92-K241 VanDerWaalsContact CG2-CD 3.42Å; V92-K241 HydrophobicContact CG2-CG 4.22Å; F96-K241 HydrophobicContact CE1-CG 4.43Å; F96-K241 HydrophobicContact CZ-CG 3.94Å; Y171-K241 WeakPolarHBondContact OH-CA 3.39Å; F237-K241 WeakPolarHBondContact O-CB 3.44Å; F237-K241 PolarHBondContact O-N 3.37Å; E238-K241 PolarHBondContact O-N 3.11Å; E238-K241 IonicContact OE1-NZ 3.94Å; E238-K241 PolarHBondContact OE1-NZ 3.38Å; E238-K241 VanDerWaalsContact OE2-CE 3.23Å; E238-K241 WeakPolarHBondContact OE2-CE 3.49Å; E238-K241 IonicContact OE2-NZ 3.64Å; E238-K241 PolarHBondContact OE2-NZ 3.18Å; K241-D244 PolarHBondContact O-N 3.43Å; K241-I245 WeakPolarHBondContact O-CG2 3.18Å; K241-I245 PolarHBondContact O-N 3.09Å |
| 242 | I | 97.7 | Very high | 94.5 | Very high | 92 Ų | 92 | 68.2 Ų | 68.2 | 47% | 0.472 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | -179.1 | -66.7 | 166 | 0 | 0 | 0 | 111.5 | E238 Q240 I245 K246 | E238-I242 WeakPolarHBondContact O-CG1 3.46Å; E238-I242 PolarHBondContact O-N 3.37Å; E238-I242 VanDerWaalsContact O-N 3.09Å; Q240-I242 VanDerWaalsContact C-N 3.33Å; Q240-I242 PolarHBondContact O-N 2.75Å; I242-I245 WeakPolarHBondContact O-CG2 3.38Å; I242-K246 HydrophobicContact CG2-CD 4.36Å; I242-K246 WeakPolarHBondContact O-CB 3.35Å; I242-K246 VanDerWaalsContact O-CG 3.26Å; I242-K246 WeakPolarHBondContact O-CG 3.16Å; I242-K246 PolarHBondContact O-N 3.41Å |
| 243 | K | 98.2 | Very high | 95.2 | Very high | 141 Ų | 141 | 67.3 Ų | 67.3 | 61% | 0.613 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.3 | -44.3 | 177.9 | -74.6 | 176.5 | -180 | -179 | 0 | 111.4 | K239 Q240 K246 N247 | K239-K243 WeakPolarHBondContact O-CG 3.32Å; K239-K243 PolarHBondContact O-N 3.29Å; K239-K243 VanDerWaalsContact O-N 3.13Å; Q240-K243 PolarHBondContact O-N 2.98Å; Q240-K243 VanDerWaalsContact O-N 3.11Å; K243-K246 PolarHBondContact O-N 3.02Å; K243-N247 WeakPolarHBondContact O-CB 3.29Å; K243-N247 PolarHBondContact O-N 3.32Å |
| 244 | D | 98.2 | Very high | 96 | Very high | 33 Ų | 33 | 70.1 Ų | 70.1 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.7 | -42.9 | -176.2 | -67.8 | -14.4 | 0 | 0 | 0 | 111.5 | Y171 Q240 K241 K246 N247 I248 | Y171-D244 HydrophobicContact CE2-CB 3.92Å; Y171-D244 WeakPolarHBondContact CE2-OD2 3.21Å; Y171-D244 WeakPolarHBondContact OH-CB 3.2Å; Y171-D244 PolarHBondContact OH-OD2 3.45Å; Q240-D244 WeakPolarHBondContact CG-OD2 3.32Å; Q240-D244 PolarHBondContact NE2-OD1 3.21Å; Q240-D244 PolarHBondContact NE2-OD2 3.04Å; Q240-D244 WeakPolarHBondContact O-CB 3.31Å; Q240-D244 VanDerWaalsContact O-CG 3.3Å; Q240-D244 PolarHBondContact O-N 3.36Å; K241-D244 PolarHBondContact O-N 3.43Å; D244-K246 VanDerWaalsContact C-N 3.28Å; D244-K246 PolarHBondContact O-N 2.93Å; D244-N247 PolarHBondContact O-N 3.1Å; D244-N247 VanDerWaalsContact O-N 3.09Å; D244-I248 HydrophobicContact CB-CD1 4.32Å; D244-I248 WeakPolarHBondContact O-CB 3.3Å; D244-I248 WeakPolarHBondContact O-CD1 3Å; D244-I248 WeakPolarHBondContact O-CG1 3.4Å; D244-I248 PolarHBondContact O-N 3.28Å |
| 245 | I | 98.3 | Very high | 96.7 | Very high | 64 Ų | 64 | 69.4 Ų | 69.4 | 33% | 0.328 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 177.2 | -162.7 | 167.5 | 0 | 0 | 0 | 111.3 | F96 K241 I242 N247 L249 | F96-I245 HydrophobicContact CZ-CB 4.44Å; K241-I245 WeakPolarHBondContact O-CG2 3.18Å; K241-I245 PolarHBondContact O-N 3.09Å; I242-I245 WeakPolarHBondContact O-CG2 3.38Å; I245-N247 VanDerWaalsContact C-N 3.35Å; I245-L249 HydrophobicContact CG1-CD1 3.88Å; I245-L249 HydrophobicContact CG1-CG 4.28Å; I245-L249 WeakPolarHBondContact O-CB 3.37Å; I245-L249 WeakPolarHBondContact O-CG 3.38Å; I245-L249 PolarHBondContact O-N 2.88Å; I245-L249 VanDerWaalsContact O-N 3.07Å |
| 246 | K | 98.6 | Very high | 97.2 | Very high | 141 Ų | 141 | 66.1 Ų | 66.1 | 61% | 0.613 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.4 | -46.1 | 173.5 | -75.7 | 179 | 65.8 | 177.4 | 0 | 111 | I242 K243 D244 S250 | I242-K246 HydrophobicContact CG2-CD 4.36Å; I242-K246 WeakPolarHBondContact O-CB 3.35Å; I242-K246 VanDerWaalsContact O-CG 3.26Å; I242-K246 WeakPolarHBondContact O-CG 3.16Å; I242-K246 PolarHBondContact O-N 3.41Å; K243-K246 PolarHBondContact O-N 3.02Å; D244-K246 VanDerWaalsContact C-N 3.28Å; D244-K246 PolarHBondContact O-N 2.93Å; K246-S250 WeakPolarHBondContact O-CB 3.44Å; K246-S250 PolarHBondContact O-N 2.87Å; K246-S250 PolarHBondContact O-OG 3.49Å |
| 247 | N | 98.7 | Very high | 97.6 | Very high | 84 Ų | 84 | 67.6 Ų | 67.6 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.7 | -52.8 | -178.9 | -169.4 | 71 | 0 | 0 | 0 | 111.5 | K243 D244 I245 L249 S250 E251 | K243-N247 WeakPolarHBondContact O-CB 3.29Å; K243-N247 PolarHBondContact O-N 3.32Å; D244-N247 PolarHBondContact O-N 3.1Å; D244-N247 VanDerWaalsContact O-N 3.09Å; I245-N247 VanDerWaalsContact C-N 3.35Å; N247-L249 PolarHBondContact O-N 3.03Å; N247-S250 PolarHBondContact O-N 2.9Å; N247-E251 WeakPolarHBondContact O-CB 3.44Å; N247-E251 VanDerWaalsContact O-CG 3.25Å; N247-E251 WeakPolarHBondContact O-CG 3.33Å; N247-E251 PolarHBondContact O-N 2.73Å |
| 248 | I | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 72.1 Ų | 72.1 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.7 | -50.6 | -178.8 | -70 | 164.6 | 0 | 0 | 0 | 111 | V164 P167 L168 D244 E251 F252 | V164-I248 HydrophobicContact CG1-CG2 3.87Å; P167-I248 HydrophobicContact CB-CD1 3.84Å; P167-I248 HydrophobicContact CB-CG1 3.85Å; L168-I248 HydrophobicContact CD1-CG2 4.4Å; L168-I248 HydrophobicContact CD2-CD1 3.99Å; L168-I248 HydrophobicContact CG-CD1 4.15Å; L168-I248 HydrophobicContact CG-CG2 4.28Å; D244-I248 HydrophobicContact CB-CD1 4.32Å; D244-I248 WeakPolarHBondContact O-CB 3.3Å; D244-I248 WeakPolarHBondContact O-CD1 3Å; D244-I248 WeakPolarHBondContact O-CG1 3.4Å; D244-I248 PolarHBondContact O-N 3.28Å; I248-E251 PolarHBondContact O-N 3.45Å; I248-F252 PolarHBondContact O-N 3.42Å |
| 249 | L | 98.8 | Very high | 98.2 | Very high | 72 Ų | 72 | 70.2 Ų | 70.2 | 38% | 0.377 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -71.3 | -33.3 | -178.5 | -63.8 | 179.7 | 0 | 0 | 0 | 112.4 | F103 I245 N247 I253 | F103-L249 HydrophobicContact CZ-CD2 4.33Å; I245-L249 HydrophobicContact CG1-CD1 3.88Å; I245-L249 HydrophobicContact CG1-CG 4.28Å; I245-L249 WeakPolarHBondContact O-CB 3.37Å; I245-L249 WeakPolarHBondContact O-CG 3.38Å; I245-L249 PolarHBondContact O-N 2.88Å; I245-L249 VanDerWaalsContact O-N 3.07Å; N247-L249 PolarHBondContact O-N 3.03Å; L249-I253 WeakPolarHBondContact O-CD1 3.34Å; L249-I253 VanDerWaalsContact O-CG1 3.29Å; L249-I253 WeakPolarHBondContact O-CG1 3.42Å; L249-I253 PolarHBondContact O-N 2.99Å; L249-I253 VanDerWaalsContact O-N 3.08Å |
| 250 | S | 98.8 | Very high | 98.4 | Very high | 66 Ų | 66 | 70.2 Ų | 70.2 | 46% | 0.462 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.9 | -40.1 | 175.4 | -58 | 0 | 0 | 0 | 0 | 111.7 | K246 N247 T254 | K246-S250 WeakPolarHBondContact O-CB 3.44Å; K246-S250 PolarHBondContact O-N 2.87Å; K246-S250 PolarHBondContact O-OG 3.49Å; N247-S250 PolarHBondContact O-N 2.9Å; S250-T254 WeakPolarHBondContact O-CB 3.36Å; S250-T254 PolarHBondContact O-N 2.97Å; S250-T254 PolarHBondContact O-OG1 2.75Å |
| 251 | E | 98.8 | Very high | 98.5 | Very high | 53 Ų | 53 | 68.1 Ų | 68.1 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 174.3 | -72.2 | -79 | -169.3 | 0 | 0 | 110.5 | K163 N247 I248 I253 T254 I255 | K163-E251 HydrophobicContact CB-CB 4.09Å; K163-E251 HydrophobicContact CB-CG 4.39Å; N247-E251 WeakPolarHBondContact O-CB 3.44Å; N247-E251 VanDerWaalsContact O-CG 3.25Å; N247-E251 WeakPolarHBondContact O-CG 3.33Å; N247-E251 PolarHBondContact O-N 2.73Å; I248-E251 PolarHBondContact O-N 3.45Å; E251-I253 PolarHBondContact O-N 3.49Å; E251-T254 PolarHBondContact O-N 3.46Å; E251-I255 WeakPolarHBondContact O-CB 3.25Å; E251-I255 WeakPolarHBondContact O-CD1 3.25Å; E251-I255 WeakPolarHBondContact O-CG1 3.3Å; E251-I255 PolarHBondContact O-N 2.92Å |
| 252 | F | 98.9 | Very high | 98.6 | Very high | 46 Ų | 46 | 69.4 Ų | 69.4 | 20% | 0.202 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -51.4 | -56.6 | 174.2 | 173.1 | -107 | 0 | 0 | 0 | 111.7 | F103 Y106 L160 V164 I248 T254 I255 E256 | F103-F252 HydrophobicContact CD1-CD2 4.4Å; F103-F252 HydrophobicContact CD1-CE2 4.49Å; F103-F252 HydrophobicContact CE1-CD1 4.42Å; F103-F252 AromaticContact CE1-CD2 3.73Å; F103-F252 HydrophobicContact CE1-CD2 3.73Å; F103-F252 AromaticContact CE1-CE2 3.85Å; F103-F252 HydrophobicContact CE1-CE2 3.85Å; F103-F252 HydrophobicContact CE1-CG 4.04Å; F103-F252 HydrophobicContact CE1-CZ 4.25Å; Y106-F252 HydrophobicContact CE1-CE2 4.09Å; L160-F252 HydrophobicContact CD2-CD2 3.59Å; L160-F252 HydrophobicContact CD2-CE2 4.06Å; V164-F252 HydrophobicContact CG2-CB 3.85Å; V164-F252 HydrophobicContact CG2-CD2 4.46Å; I248-F252 PolarHBondContact O-N 3.42Å; F252-T254 VanDerWaalsContact C-N 3.28Å; F252-T254 PolarHBondContact O-N 3.03Å; F252-I255 PolarHBondContact O-N 3.49Å; F252-E256 HydrophobicContact CD2-CG 4.16Å; F252-E256 HydrophobicContact CE1-CG 4.2Å; F252-E256 HydrophobicContact CE2-CG 3.69Å; F252-E256 WeakPolarHBondContact CE2-OE1 3.48Å; F252-E256 HydrophobicContact CZ-CG 3.71Å; F252-E256 WeakPolarHBondContact O-CG 3.23Å; F252-E256 PolarHBondContact O-N 3.28Å |
| 253 | I | 98.9 | Very high | 98.6 | Very high | 91 Ų | 91 | 65.3 Ų | 65.3 | 47% | 0.467 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.7 | -41.9 | -179.7 | -67.5 | 165.2 | 0 | 0 | 0 | 111.1 | L249 E251 M257 | L249-I253 WeakPolarHBondContact O-CD1 3.34Å; L249-I253 VanDerWaalsContact O-CG1 3.29Å; L249-I253 WeakPolarHBondContact O-CG1 3.42Å; L249-I253 PolarHBondContact O-N 2.99Å; L249-I253 VanDerWaalsContact O-N 3.08Å; E251-I253 PolarHBondContact O-N 3.49Å; I253-M257 HydrophobicContact CG2-CG 4.31Å; I253-M257 HydrophobicContact CG2-SD 3.88Å; I253-M257 WeakPolarHBondContact O-CB 3.39Å; I253-M257 WeakPolarHBondContact O-CG 3.44Å; I253-M257 PolarHBondContact O-N 3.3Å |
| 254 | T | 98.8 | Very high | 98.7 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 43% | 0.429 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | -178.8 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | S250 E251 F252 M257 L258 | S250-T254 WeakPolarHBondContact O-CB 3.36Å; S250-T254 PolarHBondContact O-N 2.97Å; S250-T254 PolarHBondContact O-OG1 2.75Å; E251-T254 PolarHBondContact O-N 3.46Å; F252-T254 VanDerWaalsContact C-N 3.28Å; F252-T254 PolarHBondContact O-N 3.03Å; T254-M257 PolarHBondContact O-N 3.02Å; T254-L258 HydrophobicContact CG2-CD1 4.2Å; T254-L258 WeakPolarHBondContact O-CB 3.43Å; T254-L258 VanDerWaalsContact O-CG 3.24Å; T254-L258 WeakPolarHBondContact O-CG 3.47Å; T254-L258 PolarHBondContact O-N 2.74Å |
| 255 | I | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 67.9 Ų | 67.9 | 5% | 0.046 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.5 | -49.3 | 178 | -68.3 | 160.3 | 0 | 0 | 0 | 110.4 | E156 R159 L160 K163 E251 F252 M257 L258 F259 | E156-I255 HydrophobicContact CG-CG2 4.07Å; R159-I255 HydrophobicContact CB-CD1 3.81Å; R159-I255 HydrophobicContact CB-CG1 4.05Å; R159-I255 HydrophobicContact CB-CG2 4.13Å; L160-I255 HydrophobicContact CD2-CB 4.18Å; L160-I255 HydrophobicContact CD2-CD1 4.22Å; L160-I255 HydrophobicContact CD2-CG2 3.86Å; L160-I255 HydrophobicContact CG-CG2 3.9Å; K163-I255 HydrophobicContact CB-CD1 3.97Å; K163-I255 HydrophobicContact CG-CD1 4.37Å; E251-I255 WeakPolarHBondContact O-CB 3.25Å; E251-I255 WeakPolarHBondContact O-CD1 3.25Å; E251-I255 WeakPolarHBondContact O-CG1 3.3Å; E251-I255 PolarHBondContact O-N 2.92Å; F252-I255 PolarHBondContact O-N 3.49Å; I255-M257 VanDerWaalsContact C-N 3.35Å; I255-M257 PolarHBondContact O-N 2.91Å; I255-L258 WeakPolarHBondContact O-CB 3.34Å; I255-L258 PolarHBondContact O-N 2.98Å; I255-F259 PolarHBondContact O-N 3.06Å |
| 256 | E | 98.7 | Very high | 98.7 | Very high | 20 Ų | 20 | 64.9 Ų | 64.9 | 9% | 0.093 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 176.9 | -68.3 | -71.1 | 151.6 | 0 | 0 | 111.5 | Y106 F252 L258 F259 H260 | Y106-E256 WeakPolarHBondContact CE1-OE1 3.41Å; Y106-E256 PolarHBondContact OH-OE1 3.4Å; Y106-E256 PolarHBondContact OH-OE2 2.84Å; F252-E256 HydrophobicContact CD2-CG 4.16Å; F252-E256 HydrophobicContact CE1-CG 4.2Å; F252-E256 HydrophobicContact CE2-CG 3.69Å; F252-E256 WeakPolarHBondContact CE2-OE1 3.48Å; F252-E256 HydrophobicContact CZ-CG 3.71Å; F252-E256 WeakPolarHBondContact O-CG 3.23Å; F252-E256 PolarHBondContact O-N 3.28Å; E256-L258 VanDerWaalsContact C-N 3.33Å; E256-L258 PolarHBondContact O-N 3.14Å; E256-F259 PolarHBondContact O-N 3.26Å; E256-H260 WeakPolarHBondContact O-CB 3.44Å; E256-H260 PolarHBondContact O-CD2 3.21Å; E256-H260 PolarHBondContact O-N 3.39Å; E256-H260 IonicContact OE2-CD2 3.37Å; E256-H260 IonicContact OE2-NE2 3.61Å |
| 257 | M | 98.8 | Very high | 98.7 | Very high | 131 Ų | 131 | 62.7 Ų | 62.7 | 65% | 0.645 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.5 | -41.9 | 176.7 | -77.7 | 180 | 65.6 | 0 | 0 | 112.3 | I253 T254 I255 G261 | I253-M257 HydrophobicContact CG2-CG 4.31Å; I253-M257 HydrophobicContact CG2-SD 3.88Å; I253-M257 WeakPolarHBondContact O-CB 3.39Å; I253-M257 WeakPolarHBondContact O-CG 3.44Å; I253-M257 PolarHBondContact O-N 3.3Å; T254-M257 PolarHBondContact O-N 3.02Å; I255-M257 VanDerWaalsContact C-N 3.35Å; I255-M257 PolarHBondContact O-N 2.91Å; M257-G261 PolarHBondContact O-N 3.32Å |
| 258 | L | 98.5 | Very high | 98.7 | Very high | 100 Ų | 100 | 61.9 Ų | 61.9 | 52% | 0.524 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 177.9 | -73.8 | 170.3 | 0 | 0 | 0 | 111.3 | T254 I255 E256 K262 | T254-L258 HydrophobicContact CG2-CD1 4.2Å; T254-L258 WeakPolarHBondContact O-CB 3.43Å; T254-L258 VanDerWaalsContact O-CG 3.24Å; T254-L258 WeakPolarHBondContact O-CG 3.47Å; T254-L258 PolarHBondContact O-N 2.74Å; I255-L258 WeakPolarHBondContact O-CB 3.34Å; I255-L258 PolarHBondContact O-N 2.98Å; E256-L258 VanDerWaalsContact C-N 3.33Å; E256-L258 PolarHBondContact O-N 3.14Å; L258-K262 PolarHBondContact O-N 2.95Å; L258-K262 VanDerWaalsContact O-N 3.13Å |
| 259 | F | 98.8 | Very high | 98.7 | Very high | 15 Ų | 15 | 62.9 Ų | 62.9 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -52.8 | 177.1 | 172.5 | -104.7 | 0 | 0 | 0 | 111 | L149 R153 E156 I255 E256 G261 K262 A263 | L149-F259 HydrophobicContact CD1-CE2 3.93Å; L149-F259 HydrophobicContact CD1-CZ 4.09Å; R153-F259 HydrophobicContact CB-CE2 3.76Å; R153-F259 HydrophobicContact CB-CZ 4.24Å; R153-F259 HydrophobicContact CG-CE2 4.43Å; E156-F259 HydrophobicContact CB-CB 4.18Å; E156-F259 HydrophobicContact CB-CD2 4.19Å; E156-F259 HydrophobicContact CB-CG 4.26Å; E156-F259 HydrophobicContact CG-CB 4.19Å; E156-F259 HydrophobicContact CG-CG 4.32Å; E156-F259 WeakPolarHBondContact OE1-CB 3.44Å; E156-F259 WeakPolarHBondContact OE1-CD1 3.19Å; E156-F259 VanDerWaalsContact OE1-CG 3.23Å; E156-F259 WeakPolarHBondContact OE1-CG 3.5Å; E156-F259 WeakPolarHBondContact OE2-CD1 3.44Å; E156-F259 WeakPolarHBondContact OE2-CG 3.35Å; I255-F259 PolarHBondContact O-N 3.06Å; E256-F259 PolarHBondContact O-N 3.26Å; F259-G261 VanDerWaalsContact C-N 3.31Å; F259-G261 PolarHBondContact O-N 3.45Å; F259-K262 CarbonylContact O-C 3.57Å; F259-K262 PolarHBondContact O-N 3.18Å; F259-K262 VanDerWaalsContact O-N 3.07Å; F259-A263 HydrophobicContact CE1-CB 4.36Å; F259-A263 HydrophobicContact CZ-CB 4.32Å; F259-A263 WeakPolarHBondContact O-CB 3.4Å; F259-A263 PolarHBondContact O-N 3.05Å |
| 260 | H | 98.8 | Very high | 98.7 | Very high | 107 Ų | 107 | 59.6 Ų | 59.6 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63 | -36.2 | -178.8 | -75 | -50.8 | 0 | 0 | 0 | 113.3 | E256 K262 A263 L264 | E256-H260 WeakPolarHBondContact O-CB 3.44Å; E256-H260 PolarHBondContact O-CD2 3.21Å; E256-H260 PolarHBondContact O-N 3.39Å; E256-H260 IonicContact OE2-CD2 3.37Å; E256-H260 IonicContact OE2-NE2 3.61Å; H260-K262 VanDerWaalsContact C-N 3.33Å; H260-A263 PolarHBondContact O-N 3.2Å; H260-L264 PolarHBondContact O-N 3.08Å |
| 261 | G | 98.8 | Very high | 98.7 | Very high | 43 Ų | 43 | 63.4 Ų | 63.4 | 44% | 0.443 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M257 F259 E265 | M257-G261 PolarHBondContact O-N 3.32Å; F259-G261 VanDerWaalsContact C-N 3.31Å; F259-G261 PolarHBondContact O-N 3.45Å; G261-E265 PolarHBondContact O-N 3.34Å |
| 262 | K | 98.3 | Very high | 98.7 | Very high | 74 Ų | 74 | 65.9 Ų | 65.9 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.6 | -37.2 | 175.4 | -76.2 | -72.4 | 159.9 | -160 | 0 | 112.9 | Y152 L258 F259 H260 L264 E265 V266 | Y152-K262 HydrophobicContact CD1-CB 4.46Å; Y152-K262 HydrophobicContact CD1-CG 4.39Å; Y152-K262 HydrophobicContact CD2-CB 4.28Å; Y152-K262 HydrophobicContact CE1-CD 4.16Å; Y152-K262 HydrophobicContact CE1-CG 4.32Å; Y152-K262 HydrophobicContact CE2-CB 4.5Å; Y152-K262 HydrophobicContact CE2-CD 4.35Å; Y152-K262 HydrophobicContact CG-CB 4.26Å; L258-K262 PolarHBondContact O-N 2.95Å; L258-K262 VanDerWaalsContact O-N 3.13Å; F259-K262 CarbonylContact O-C 3.57Å; F259-K262 PolarHBondContact O-N 3.18Å; F259-K262 VanDerWaalsContact O-N 3.07Å; H260-K262 VanDerWaalsContact C-N 3.33Å; K262-L264 VanDerWaalsContact C-N 3.32Å; K262-L264 PolarHBondContact O-N 3.16Å; K262-E265 IonicContact NZ-OE1 2.71Å; K262-E265 PolarHBondContact NZ-OE1 2.86Å; K262-E265 IonicContact NZ-OE2 3.82Å; K262-E265 PolarHBondContact NZ-OE2 3.49Å; K262-E265 WeakPolarHBondContact O-CB 3.48Å; K262-E265 PolarHBondContact O-N 3.43Å; K262-V266 WeakPolarHBondContact O-CG2 3.27Å; K262-V266 PolarHBondContact O-N 3.26Å |
| 263 | A | 98.6 | Very high | 98.6 | Very high | 7 Ų | 7 | 65.7 Ų | 65.7 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L149 F259 H260 E265 V266 F267 | L149-A263 HydrophobicContact CD1-CB 3.7Å; F259-A263 HydrophobicContact CE1-CB 4.36Å; F259-A263 HydrophobicContact CZ-CB 4.32Å; F259-A263 WeakPolarHBondContact O-CB 3.4Å; F259-A263 PolarHBondContact O-N 3.05Å; H260-A263 PolarHBondContact O-N 3.2Å; A263-E265 VanDerWaalsContact C-N 3.35Å; A263-E265 PolarHBondContact O-N 3.28Å; A263-V266 PolarHBondContact O-N 3.09Å; A263-F267 HydrophobicContact CB-CD2 4.26Å; A263-F267 HydrophobicContact CB-CE2 4.29Å; A263-F267 WeakPolarHBondContact O-CB 3.4Å; A263-F267 WeakPolarHBondContact O-CD2 3.37Å; A263-F267 WeakPolarHBondContact O-CG 3.29Å; A263-F267 PolarHBondContact O-N 3.08Å |
| 264 | L | 98.8 | Very high | 98.6 | Very high | 122 Ų | 122 | 64 Ų | 64 | 64% | 0.639 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.9 | -44.3 | 177 | -178.5 | 62.9 | 0 | 0 | 0 | 111.9 | H260 K262 T268 | H260-L264 PolarHBondContact O-N 3.08Å; K262-L264 VanDerWaalsContact C-N 3.32Å; K262-L264 PolarHBondContact O-N 3.16Å; L264-T268 WeakPolarHBondContact O-CB 3.37Å; L264-T268 PolarHBondContact O-N 2.9Å; L264-T268 PolarHBondContact O-OG1 2.95Å |
| 265 | E | 98.5 | Very high | 98.5 | Very high | 105 Ų | 105 | 66.2 Ų | 66.2 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.2 | -51.1 | 176.6 | -174.3 | -174.7 | 143.2 | 0 | 0 | 111.2 | G261 K262 A263 T268 A269 | G261-E265 PolarHBondContact O-N 3.34Å; K262-E265 IonicContact NZ-OE1 2.71Å; K262-E265 PolarHBondContact NZ-OE1 2.86Å; K262-E265 IonicContact NZ-OE2 3.82Å; K262-E265 PolarHBondContact NZ-OE2 3.49Å; K262-E265 WeakPolarHBondContact O-CB 3.48Å; K262-E265 PolarHBondContact O-N 3.43Å; A263-E265 VanDerWaalsContact C-N 3.35Å; A263-E265 PolarHBondContact O-N 3.28Å; E265-T268 PolarHBondContact O-N 3.36Å; E265-A269 PolarHBondContact O-N 3.46Å |
| 266 | V | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.1 | -44.6 | -177.8 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | E145 L149 Y152 K262 A263 T268 A269 A270 | E145-V266 HydrophobicContact CB-CG1 4.08Å; E145-V266 WeakPolarHBondContact O-CG1 3.35Å; L149-V266 HydrophobicContact CB-CG1 3.96Å; Y152-V266 HydrophobicContact CD2-CG2 4.27Å; Y152-V266 HydrophobicContact CE2-CG2 3.99Å; K262-V266 WeakPolarHBondContact O-CG2 3.27Å; K262-V266 PolarHBondContact O-N 3.26Å; A263-V266 PolarHBondContact O-N 3.09Å; V266-T268 VanDerWaalsContact C-N 3.25Å; V266-T268 PolarHBondContact O-N 3.12Å; V266-A269 PolarHBondContact O-N 3.13Å; V266-A270 WeakPolarHBondContact O-CB 3.14Å; V266-A270 PolarHBondContact O-N 3.31Å |
| 267 | F | 98.6 | Very high | 98.4 | Very high | 96 Ų | 96 | 72.2 Ų | 72.2 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.4 | -31.8 | 177.2 | -78.8 | -52.6 | 0 | 0 | 0 | 112.6 | F146 L149 A263 Y271 | F146-F267 HydrophobicContact CD2-CE1 4Å; F146-F267 AromaticContact CE2-CE1 3.94Å; F146-F267 HydrophobicContact CE2-CE1 3.94Å; F146-F267 HydrophobicContact CE2-CZ 4.21Å; L149-F267 HydrophobicContact CD2-CD1 4.34Å; L149-F267 HydrophobicContact CD2-CD2 4.19Å; L149-F267 HydrophobicContact CD2-CE1 3.65Å; L149-F267 HydrophobicContact CD2-CE2 3.47Å; L149-F267 VanDerWaalsContact CD2-CE2 3.47Å; L149-F267 HydrophobicContact CD2-CZ 3.16Å; A263-F267 HydrophobicContact CB-CD2 4.26Å; A263-F267 HydrophobicContact CB-CE2 4.29Å; A263-F267 WeakPolarHBondContact O-CB 3.4Å; A263-F267 WeakPolarHBondContact O-CD2 3.37Å; A263-F267 WeakPolarHBondContact O-CG 3.29Å; A263-F267 PolarHBondContact O-N 3.08Å; F267-Y271 VanDerWaalsContact O-CB 3.29Å; F267-Y271 WeakPolarHBondContact O-CB 3.45Å; F267-Y271 PolarHBondContact O-N 3.1Å |
| 268 | T | 98.7 | Very high | 98.3 | Very high | 67 Ų | 67 | 69.6 Ų | 69.6 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 174.3 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | L264 E265 V266 Y271 Q272 | L264-T268 WeakPolarHBondContact O-CB 3.37Å; L264-T268 PolarHBondContact O-N 2.9Å; L264-T268 PolarHBondContact O-OG1 2.95Å; E265-T268 PolarHBondContact O-N 3.36Å; V266-T268 VanDerWaalsContact C-N 3.25Å; V266-T268 PolarHBondContact O-N 3.12Å; T268-Y271 PolarHBondContact O-N 3.35Å; T268-Q272 WeakPolarHBondContact O-CG 3.49Å; T268-Q272 PolarHBondContact O-N 3Å; T268-Q272 VanDerWaalsContact O-N 3.1Å |
| 269 | A | 98.5 | Very high | 98.1 | Very high | 26 Ų | 26 | 71.8 Ų | 71.8 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.5 | -47 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E145 E265 V266 Y271 Q272 N273 | E145-A269 HydrophobicContact CG-CB 4.25Å; E265-A269 PolarHBondContact O-N 3.46Å; V266-A269 PolarHBondContact O-N 3.13Å; A269-Y271 VanDerWaalsContact C-N 3.29Å; A269-Y271 PolarHBondContact O-N 2.84Å; A269-Q272 WeakPolarHBondContact O-CB 3.38Å; A269-Q272 PolarHBondContact O-N 2.96Å; A269-Q272 VanDerWaalsContact O-N 3.08Å; A269-N273 PolarHBondContact O-N 2.74Å |
| 270 | A | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 77.2 Ų | 77.2 | 2% | 0.017 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.4 | -40.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F142 E145 V266 N273 I274 | F142-A270 HydrophobicContact CD2-CB 3.74Å; F142-A270 HydrophobicContact CE2-CB 3.95Å; E145-A270 HydrophobicContact CB-CB 3.99Å; V266-A270 WeakPolarHBondContact O-CB 3.14Å; V266-A270 PolarHBondContact O-N 3.31Å; A270-N273 PolarHBondContact O-N 3.36Å; A270-I274 PolarHBondContact O-N 3.03Å |
| 271 | Y | 98.6 | Very high | 97.8 | Very high | 147 Ų | 147 | 77 Ų | 77 | 58% | 0.576 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 174.7 | -179.4 | -95.5 | 0 | 0 | 0 | 111.8 | F267 T268 A269 N273 I274 Q275 | F267-Y271 VanDerWaalsContact O-CB 3.29Å; F267-Y271 WeakPolarHBondContact O-CB 3.45Å; F267-Y271 PolarHBondContact O-N 3.1Å; T268-Y271 PolarHBondContact O-N 3.35Å; A269-Y271 VanDerWaalsContact C-N 3.29Å; A269-Y271 PolarHBondContact O-N 2.84Å; Y271-N273 VanDerWaalsContact C-N 3.34Å; Y271-N273 PolarHBondContact O-N 2.84Å; Y271-I274 PolarHBondContact O-N 3.4Å; Y271-Q275 HydrophobicContact CD1-CG 3.87Å; Y271-Q275 HydrophobicContact CE1-CG 3.39Å; Y271-Q275 HydrophobicContact CE2-CG 4.2Å; Y271-Q275 HydrophobicContact CG-CG 4.44Å; Y271-Q275 WeakPolarHBondContact O-CG 3.33Å; Y271-Q275 PolarHBondContact O-N 3.2Å |
| 272 | Q | 98.4 | Very high | 97.6 | Very high | 104 Ų | 104 | 75.5 Ų | 75.5 | 49% | 0.486 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 176.7 | -71 | 171.1 | 0.6 | 0 | 0 | 111.9 | T268 A269 I274 Q275 N276 | T268-Q272 WeakPolarHBondContact O-CG 3.49Å; T268-Q272 PolarHBondContact O-N 3Å; T268-Q272 VanDerWaalsContact O-N 3.1Å; A269-Q272 WeakPolarHBondContact O-CB 3.38Å; A269-Q272 PolarHBondContact O-N 2.96Å; A269-Q272 VanDerWaalsContact O-N 3.08Å; Q272-I274 VanDerWaalsContact C-N 3.28Å; Q272-I274 PolarHBondContact O-N 3.01Å; Q272-Q275 PolarHBondContact O-N 2.8Å; Q272-N276 WeakPolarHBondContact O-CB 3.33Å; Q272-N276 PolarHBondContact O-N 2.97Å; Q272-N276 PolarHBondContact O-ND2 3.46Å; Q272-N276 VanDerWaalsContact O-ND2 3.13Å |
| 273 | N | 98 | Very high | 97.4 | Very high | 42 Ų | 42 | 75.6 Ų | 75.6 | 23% | 0.225 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.1 | -40.9 | 177.2 | -67.1 | -16.9 | 0 | 0 | 0 | 112 | D141 A269 A270 Y271 | D141-N273 HydrophobicContact CB-CB 4Å; D141-N273 PolarHBondContact O-ND2 3.05Å; D141-N273 VanDerWaalsContact O-ND2 3.1Å; A269-N273 PolarHBondContact O-N 2.74Å; A270-N273 PolarHBondContact O-N 3.36Å; Y271-N273 VanDerWaalsContact C-N 3.34Å; Y271-N273 PolarHBondContact O-N 2.84Å |
| 274 | I | 98.1 | Very high | 97.2 | Very high | 57 Ų | 57 | 80.9 Ų | 80.9 | 29% | 0.292 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -70.2 | -42.5 | 175.8 | -63.1 | -60.6 | 0 | 0 | 0 | 112 | L139 F142 A270 Y271 Q272 N276 I277 | L139-I274 HydrophobicContact CD2-CD1 4.35Å; F142-I274 HydrophobicContact CB-CD1 3.7Å; F142-I274 HydrophobicContact CB-CG1 4.11Å; F142-I274 HydrophobicContact CD2-CD1 4.1Å; F142-I274 HydrophobicContact CD2-CG1 3.74Å; F142-I274 HydrophobicContact CG-CD1 3.98Å; F142-I274 HydrophobicContact CG-CG1 4.15Å; A270-I274 PolarHBondContact O-N 3.03Å; Y271-I274 PolarHBondContact O-N 3.4Å; Q272-I274 VanDerWaalsContact C-N 3.28Å; Q272-I274 PolarHBondContact O-N 3.01Å; I274-N276 PolarHBondContact O-N 3.5Å; I274-I277 HydrophobicContact CD1-CD1 4.22Å; I274-I277 WeakPolarHBondContact O-CD1 3.47Å; I274-I277 WeakPolarHBondContact O-CG1 3.37Å; I274-I277 PolarHBondContact O-N 2.97Å |
| 275 | Q | 98.1 | Very high | 96.9 | Very high | 115 Ų | 115 | 77.9 Ų | 77.9 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.3 | -21.7 | -178.8 | -68.2 | -60.9 | -77.3 | 0 | 0 | 113.9 | Y271 Q272 I277 | Y271-Q275 HydrophobicContact CD1-CG 3.87Å; Y271-Q275 HydrophobicContact CE1-CG 3.39Å; Y271-Q275 HydrophobicContact CE2-CG 4.2Å; Y271-Q275 HydrophobicContact CG-CG 4.44Å; Y271-Q275 WeakPolarHBondContact O-CG 3.33Å; Y271-Q275 PolarHBondContact O-N 3.2Å; Q272-Q275 PolarHBondContact O-N 2.8Å; Q275-I277 VanDerWaalsContact C-N 3.34Å |
| 276 | N | 96.9 | Very high | 96.6 | Very high | 124 Ų | 124 | 78 Ų | 78 | 66% | 0.663 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 6.1 | -178.8 | -67.1 | -24.2 | 0 | 0 | 0 | 113.3 | Q272 I274 D278 | Q272-N276 WeakPolarHBondContact O-CB 3.33Å; Q272-N276 PolarHBondContact O-N 2.97Å; Q272-N276 PolarHBondContact O-ND2 3.46Å; Q272-N276 VanDerWaalsContact O-ND2 3.13Å; I274-N276 PolarHBondContact O-N 3.5Å; N276-D278 PolarHBondContact O-N 3.41Å |
| 277 | I | 97.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 84.9 Ų | 84.9 | 16% | 0.159 | 41% | 0.412 | C | S | . | . | trans | -65.2 | 123.9 | 174.6 | -65.3 | 169.7 | 0 | 0 | 0 | 108.8 | L135 I274 Q275 E279 | L135-I277 HydrophobicContact CB-CG2 4.46Å; L135-I277 HydrophobicContact CD1-CD1 3.98Å; I274-I277 HydrophobicContact CD1-CD1 4.22Å; I274-I277 WeakPolarHBondContact O-CD1 3.47Å; I274-I277 WeakPolarHBondContact O-CG1 3.37Å; I274-I277 PolarHBondContact O-N 2.97Å; Q275-I277 VanDerWaalsContact C-N 3.34Å; I277-E279 PolarHBondContact O-N 2.9Å | ||
| 278 | D | 95.9 | Very high | 96 | Very high | 77 Ų | 77 | 84 Ų | 84 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | trans | -82.4 | 98.6 | 175 | -166.9 | -32.8 | 0 | 0 | 0 | 110.3 | N134 N276 D280 E281 | N134-D278 HydrophobicContact CB-CB 4.45Å; N276-D278 PolarHBondContact O-N 3.41Å; D278-D280 PolarHBondContact OD1-N 3.32Å; D278-E281 HydrophobicContact CB-CB 4.48Å; D278-E281 PolarHBondContact OD1-N 3.03Å; D278-E281 VanDerWaalsContact OD1-N 3.1Å | ||
| 279 | E | 95.9 | Very high | 95.5 | Very high | 145 Ų | 145 | 84.3 Ų | 84.3 | 68% | 0.678 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69.2 | -34.6 | 179.6 | -60.7 | 176.4 | -165.5 | 0 | 0 | 112.4 | I277 D282 L283 | I277-E279 PolarHBondContact O-N 2.9Å; E279-D282 PolarHBondContact O-N 3.38Å; E279-L283 WeakPolarHBondContact O-CB 3.37Å; E279-L283 WeakPolarHBondContact O-CG 3.31Å; E279-L283 PolarHBondContact O-N 3.11Å |
| 280 | D | 96 | Very high | 95 | Very high | 130 Ų | 130 | 87.7 Ų | 87.7 | 70% | 0.695 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -70.2 | -43.9 | -173.2 | -79.6 | -36.4 | 0 | 0 | 0 | 111 | D278 L283 E284 | D278-D280 PolarHBondContact OD1-N 3.32Å; D280-L283 PolarHBondContact O-N 3.28Å; D280-E284 PolarHBondContact O-N 2.88Å |
| 281 | E | 94.5 | Very high | 93.9 | Very high | 103 Ų | 103 | 96 Ų | 96 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 175.8 | -177.1 | 174.9 | -157.4 | 0 | 0 | 111.3 | N134 D278 L283 E284 V285 | N134-E281 WeakPolarHBondContact ND2-CB 3.49Å; N134-E281 WeakPolarHBondContact ND2-CG 3.25Å; N134-E281 PolarHBondContact ND2-OE2 2.99Å; D278-E281 HydrophobicContact CB-CB 4.48Å; D278-E281 PolarHBondContact OD1-N 3.03Å; D278-E281 VanDerWaalsContact OD1-N 3.1Å; E281-L283 PolarHBondContact O-N 3.36Å; E281-E284 PolarHBondContact O-N 3.36Å; E281-V285 WeakPolarHBondContact O-CG2 3.31Å; E281-V285 PolarHBondContact O-N 3.34Å |
| 282 | D | 94.2 | Very high | 92.1 | Very high | 10 Ų | 10 | 95.8 Ų | 95.8 | 5% | 0.053 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 177.6 | -93 | 2.9 | 0 | 0 | 0 | 112.6 | T132 N134 L135 E279 E284 V285 F286 | T132-D282 WeakPolarHBondContact CB-OD1 3.46Å; T132-D282 VanDerWaalsContact CB-OD2 3.3Å; T132-D282 WeakPolarHBondContact CB-OD2 3.36Å; T132-D282 PolarHBondContact OG1-OD2 3.28Å; N134-D282 WeakPolarHBondContact CB-OD1 3.33Å; N134-D282 PolarHBondContact N-OD1 3.23Å; N134-D282 PolarHBondContact N-OD2 3.39Å; N134-D282 PolarHBondContact ND2-OD1 2.92Å; L135-D282 VanDerWaalsContact CB-OD2 3.23Å; L135-D282 WeakPolarHBondContact CB-OD2 3.47Å; L135-D282 PolarHBondContact N-OD2 2.9Å; E279-D282 PolarHBondContact O-N 3.38Å; D282-E284 VanDerWaalsContact C-N 3.31Å; D282-E284 PolarHBondContact O-N 2.91Å; D282-V285 PolarHBondContact O-N 3.33Å; D282-F286 WeakPolarHBondContact O-CB 3.37Å; D282-F286 PolarHBondContact O-N 3.43Å |
| 283 | L | 94.8 | Very high | 90 | Very high | 76 Ų | 76 | 95.5 Ų | 95.5 | 40% | 0.398 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.4 | -36.2 | 173.1 | -74.7 | 174.5 | 0 | 0 | 0 | 111.9 | E279 D280 E281 R287 | E279-L283 WeakPolarHBondContact O-CB 3.37Å; E279-L283 WeakPolarHBondContact O-CG 3.31Å; E279-L283 PolarHBondContact O-N 3.11Å; D280-L283 PolarHBondContact O-N 3.28Å; E281-L283 PolarHBondContact O-N 3.36Å; L283-R287 WeakPolarHBondContact O-CB 3.39Å; L283-R287 WeakPolarHBondContact O-CD 3.43Å; L283-R287 WeakPolarHBondContact O-CG 3.36Å; L283-R287 PolarHBondContact O-N 3.04Å |
| 284 | E | 93.9 | Very high | 87.8 | Confident | 118 Ų | 118 | 100.2 Ų | 100.2 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66 | -46.2 | 173.9 | -175.3 | 171.3 | -176.2 | 0 | 0 | 111.4 | D280 E281 D282 F286 R287 N288 | D280-E284 PolarHBondContact O-N 2.88Å; E281-E284 PolarHBondContact O-N 3.36Å; D282-E284 VanDerWaalsContact C-N 3.31Å; D282-E284 PolarHBondContact O-N 2.91Å; E284-F286 VanDerWaalsContact C-N 3.31Å; E284-F286 PolarHBondContact O-N 2.95Å; E284-R287 PolarHBondContact O-N 3.32Å; E284-N288 WeakPolarHBondContact O-CB 3.43Å; E284-N288 VanDerWaalsContact O-CG 3.26Å; E284-N288 PolarHBondContact O-N 3.13Å; E284-N288 PolarHBondContact O-ND2 2.96Å |
| 285 | V | 92.8 | Very high | 85.7 | Confident | 59 Ų | 59 | 107 Ų | 107 | 36% | 0.358 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.1 | -46 | 174.6 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | T132 E281 D282 N288 S289 | T132-V285 HydrophobicContact CG2-CG1 4.38Å; E281-V285 WeakPolarHBondContact O-CG2 3.31Å; E281-V285 PolarHBondContact O-N 3.34Å; D282-V285 PolarHBondContact O-N 3.33Å; V285-N288 PolarHBondContact O-N 3.13Å; V285-S289 PolarHBondContact O-N 3.06Å |
| 286 | F | 92.2 | Very high | 83.6 | Confident | 109 Ų | 109 | 105.8 Ų | 105.8 | 48% | 0.478 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 177.8 | 179.5 | -101.3 | 0 | 0 | 0 | 111.9 | D282 E284 N288 S289 L290 | D282-F286 WeakPolarHBondContact O-CB 3.37Å; D282-F286 PolarHBondContact O-N 3.43Å; E284-F286 VanDerWaalsContact C-N 3.31Å; E284-F286 PolarHBondContact O-N 2.95Å; F286-N288 VanDerWaalsContact C-N 3.34Å; F286-N288 PolarHBondContact O-N 3.42Å; F286-S289 WeakPolarHBondContact O-CB 3.43Å; F286-S289 PolarHBondContact O-N 3.35Å; F286-S289 VanDerWaalsContact O-N 3.17Å; F286-S289 PolarHBondContact O-OG 2.88Å; F286-L290 HydrophobicContact CD1-CD1 4.14Å; F286-L290 HydrophobicContact CE1-CD1 3.56Å; F286-L290 HydrophobicContact CE1-CG 4.25Å; F286-L290 HydrophobicContact CZ-CD1 3.97Å; F286-L290 HydrophobicContact CZ-CD2 4.36Å; F286-L290 HydrophobicContact CZ-CG 4.35Å; F286-L290 PolarHBondContact O-N 2.77Å |
| 287 | R | 93.5 | Very high | 81.7 | Confident | 144 Ų | 144 | 102.1 Ų | 102.1 | 54% | 0.543 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 177.1 | -72.4 | 167 | -172 | 164.6 | 7.1 | 111.4 | L283 E284 S289 L290 Y291 | L283-R287 WeakPolarHBondContact O-CB 3.39Å; L283-R287 WeakPolarHBondContact O-CD 3.43Å; L283-R287 WeakPolarHBondContact O-CG 3.36Å; L283-R287 PolarHBondContact O-N 3.04Å; E284-R287 PolarHBondContact O-N 3.32Å; R287-S289 VanDerWaalsContact C-N 3.26Å; R287-S289 PolarHBondContact O-N 3.13Å; R287-L290 WeakPolarHBondContact O-CB 3.29Å; R287-L290 PolarHBondContact O-N 3.05Å; R287-Y291 HydrophobicContact CB-CD2 4.39Å; R287-Y291 HydrophobicContact CB-CE2 4.25Å; R287-Y291 WeakPolarHBondContact O-CD2 3.16Å; R287-Y291 PolarHBondContact O-N 3.38Å; R287-Y291 VanDerWaalsContact O-N 3.12Å |
| 288 | N | 90.5 | Very high | 79.6 | Confident | 78 Ų | 78 | 110.6 Ų | 110.6 | 42% | 0.417 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.2 | -38.7 | 178.6 | -73.7 | -26.9 | 0 | 0 | 0 | 111.8 | E284 V285 F286 L290 Y291 L292 | E284-N288 WeakPolarHBondContact O-CB 3.43Å; E284-N288 VanDerWaalsContact O-CG 3.26Å; E284-N288 PolarHBondContact O-N 3.13Å; E284-N288 PolarHBondContact O-ND2 2.96Å; V285-N288 PolarHBondContact O-N 3.13Å; F286-N288 VanDerWaalsContact C-N 3.34Å; F286-N288 PolarHBondContact O-N 3.42Å; N288-L290 VanDerWaalsContact C-N 3.31Å; N288-L290 PolarHBondContact O-N 3.32Å; N288-Y291 PolarHBondContact O-N 3.14Å; N288-L292 HydrophobicContact CB-CD1 4.43Å; N288-L292 WeakPolarHBondContact O-CB 3.43Å; N288-L292 WeakPolarHBondContact O-CD1 3.41Å; N288-L292 WeakPolarHBondContact O-CG 3.4Å; N288-L292 PolarHBondContact O-N 2.75Å |
| 289 | S | 89.6 | Confident | 77.8 | Confident | 74 Ų | 74 | 113.2 Ų | 113.2 | 52% | 0.517 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.3 | -33.6 | 175.6 | 81.8 | 0 | 0 | 0 | 0 | 113.4 | V285 F286 R287 | V285-S289 PolarHBondContact O-N 3.06Å; F286-S289 WeakPolarHBondContact O-CB 3.43Å; F286-S289 PolarHBondContact O-N 3.35Å; F286-S289 VanDerWaalsContact O-N 3.17Å; F286-S289 PolarHBondContact O-OG 2.88Å; R287-S289 VanDerWaalsContact C-N 3.26Å; R287-S289 PolarHBondContact O-N 3.13Å |
| 290 | L | 87.3 | Confident | 75.9 | Confident | 97 Ų | 97 | 111.1 Ų | 111.1 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.7 | -41.1 | 177 | -64 | 179.4 | 0 | 0 | 0 | 112 | F286 R287 N288 | F286-L290 HydrophobicContact CD1-CD1 4.14Å; F286-L290 HydrophobicContact CE1-CD1 3.56Å; F286-L290 HydrophobicContact CE1-CG 4.25Å; F286-L290 HydrophobicContact CZ-CD1 3.97Å; F286-L290 HydrophobicContact CZ-CD2 4.36Å; F286-L290 HydrophobicContact CZ-CG 4.35Å; F286-L290 PolarHBondContact O-N 2.77Å; R287-L290 WeakPolarHBondContact O-CB 3.29Å; R287-L290 PolarHBondContact O-N 3.05Å; N288-L290 VanDerWaalsContact C-N 3.31Å; N288-L290 PolarHBondContact O-N 3.32Å |
| 291 | Y | 76.1 | Confident | 74.2 | Confident | 176 Ų | 176 | 109 Ų | 109 | 69% | 0.69 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -86.7 | -20 | -173.4 | -65.6 | -65.9 | 0 | 0 | 0 | 114.5 | R287 N288 S293 | R287-Y291 HydrophobicContact CB-CD2 4.39Å; R287-Y291 HydrophobicContact CB-CE2 4.25Å; R287-Y291 WeakPolarHBondContact O-CD2 3.16Å; R287-Y291 PolarHBondContact O-N 3.38Å; R287-Y291 VanDerWaalsContact O-N 3.12Å; N288-Y291 PolarHBondContact O-N 3.14Å; Y291-S293 PolarHBondContact O-N 2.91Å |
| 292 | L | 59.3 | Low | 72.5 | Confident | 142 Ų | 142 | 108.7 Ų | 108.7 | 74% | 0.743 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -9.1 | 174.7 | -80.6 | 160 | 0 | 0 | 0 | 113.5 | N288 | N288-L292 HydrophobicContact CB-CD1 4.43Å; N288-L292 WeakPolarHBondContact O-CB 3.43Å; N288-L292 WeakPolarHBondContact O-CD1 3.41Å; N288-L292 WeakPolarHBondContact O-CG 3.4Å; N288-L292 PolarHBondContact O-N 2.75Å |
| 293 | S | 54.9 | Low | 70.9 | Confident | 99 Ų | 99 | 117 Ų | 117 | 69% | 0.692 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -16.7 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 114.5 | Y291 | Y291-S293 PolarHBondContact O-N 2.91Š|
| 294 | D | 52.1 | Low | 69.2 | Low | 141 Ų | 141 | 116.9 Ų | 116.9 | 75% | 0.754 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -104.1 | 2.7 | -167.6 | -108.1 | 2.4 | 0 | 0 | 0 | 115.6 | P296 | D294-P296 VanDerWaalsContact O-CD 3.29Å; D294-P296 WeakPolarHBondContact O-CD 3.48Å |
| 295 | Y | 54.7 | Low | 67.5 | Low | 200 Ų | 200 | 117.5 Ų | 117.5 | 78% | 0.784 | 59% | 0.592 | S | S | * | * | trans | -111.2 | 90.4 | 170.4 | -88 | -91.8 | 0 | 0 | 0 | 110.4 | S297 | Y295-S297 VanDerWaalsContact C-N 3.25Å; Y295-S297 PolarHBondContact O-N 3.34Å | ||
| 296 | P | 54 | Low | 65.7 | Low | 89 Ų | 89 | 118.7 Ų | 118.7 | 58% | 0.578 | 60% | 0.603 | S | S | * | * | trans | -59.3 | 105.6 | 150.5 | 26.9 | -28.7 | 0 | 0 | 0 | 105.1 | D294 R298 I301 | D294-P296 VanDerWaalsContact O-CD 3.29Å; D294-P296 WeakPolarHBondContact O-CD 3.48Å; P296-R298 PolarHBondContact O-N 3.28Å; P296-I301 HydrophobicContact CB-CD1 4.22Å; P296-I301 HydrophobicContact CG-CD1 4.34Å | ||
| 297 | S | 55.4 | Low | 64.1 | Low | 46 Ų | 46 | 122.4 Ų | 122.4 | 32% | 0.322 | 62% | 0.619 | S | S | . | * | trans | -43.2 | 116.4 | 178.3 | 179.6 | 0 | 0 | 0 | 0 | 108 | Y295 L299 D300 I301 | Y295-S297 VanDerWaalsContact C-N 3.25Å; Y295-S297 PolarHBondContact O-N 3.34Å; S297-L299 PolarHBondContact O-N 3.41Å; S297-L299 WeakPolarHBondContact OG-CB 3.32Å; S297-D300 PolarHBondContact O-N 3.26Å; S297-I301 PolarHBondContact O-N 3.26Å | ||
| 298 | R | 53.8 | Low | 61.9 | Low | 210 Ų | 210 | 120.6 Ų | 120.6 | 79% | 0.792 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -55.3 | -19.8 | 177.5 | -74.4 | -166.1 | 119.5 | -162.3 | 2.4 | 111.3 | P296 V302 | P296-R298 PolarHBondContact O-N 3.28Å; R298-V302 WeakPolarHBondContact O-CB 3.47Å; R298-V302 WeakPolarHBondContact O-CG2 3.41Å; R298-V302 PolarHBondContact O-N 3.38Å; R298-V302 VanDerWaalsContact O-N 3.11Å |
| 299 | L | 57.4 | Low | 60.2 | Low | 132 Ų | 132 | 122.9 Ų | 122.9 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68 | -34.2 | 172.3 | -71.6 | 158.3 | 0 | 0 | 0 | 113.3 | S297 R303 | S297-L299 PolarHBondContact O-N 3.41Å; S297-L299 WeakPolarHBondContact OG-CB 3.32Å; L299-R303 VanDerWaalsContact O-CB 3.27Å; L299-R303 WeakPolarHBondContact O-CB 3.38Å; L299-R303 PolarHBondContact O-N 3.06Å |
| 300 | D | 56.2 | Low | 58 | Low | 100 Ų | 100 | 127 Ų | 127 | 54% | 0.535 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -77.5 | -34.2 | 178.1 | -71.2 | -34.6 | 0 | 0 | 0 | 112 | S297 V302 R303 A304 | S297-D300 PolarHBondContact O-N 3.26Å; D300-V302 VanDerWaalsContact C-N 3.35Å; D300-R303 PolarHBondContact O-N 3.03Å; D300-A304 WeakPolarHBondContact O-CB 3.27Å; D300-A304 PolarHBondContact O-N 3.01Å |
| 301 | I | 60.3 | Low | 56.1 | Low | 85 Ų | 85 | 131.6 Ų | 131.6 | 44% | 0.436 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -65.3 | -39.2 | 171.8 | -60.4 | 173.9 | 0 | 0 | 0 | 110.8 | P296 S297 N305 | P296-I301 HydrophobicContact CB-CD1 4.22Å; P296-I301 HydrophobicContact CG-CD1 4.34Å; S297-I301 PolarHBondContact O-N 3.26Å; I301-N305 PolarHBondContact O-N 2.89Å; I301-N305 PolarHBondContact O-ND2 3.22Å |
| 302 | V | 59.3 | Low | 54.6 | Low | 97 Ų | 97 | 135 Ų | 135 | 59% | 0.588 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -73.5 | -34.4 | 177 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | R298 D300 N305 S306 | R298-V302 WeakPolarHBondContact O-CB 3.47Å; R298-V302 WeakPolarHBondContact O-CG2 3.41Å; R298-V302 PolarHBondContact O-N 3.38Å; R298-V302 VanDerWaalsContact O-N 3.11Å; D300-V302 VanDerWaalsContact C-N 3.35Å; V302-N305 PolarHBondContact O-N 3.4Å; V302-S306 WeakPolarHBondContact O-CB 3.16Å; V302-S306 PolarHBondContact O-N 3.21Å; V302-S306 VanDerWaalsContact O-N 3.11Å |
| 303 | R | 61.7 | Low | 53.6 | Low | 186 Ų | 186 | 132.7 Ų | 132.7 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.6 | -33.8 | 175.3 | -173.3 | -178.2 | -65.5 | -136.7 | 0.2 | 113 | L299 D300 N305 S306 | L299-R303 VanDerWaalsContact O-CB 3.27Å; L299-R303 WeakPolarHBondContact O-CB 3.38Å; L299-R303 PolarHBondContact O-N 3.06Å; D300-R303 PolarHBondContact O-N 3.03Å; R303-N305 VanDerWaalsContact C-N 3.34Å; R303-S306 PolarHBondContact O-OG 3.46Å |
| 304 | A | 57.8 | Low | 52.9 | Low | 73 Ų | 73 | 135.7 Ų | 135.7 | 60% | 0.603 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -70.8 | -30.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D300 | D300-A304 WeakPolarHBondContact O-CB 3.27Å; D300-A304 PolarHBondContact O-N 3.01Å |
| 305 | N | 58.5 | Low | 52.4 | Low | 130 Ų | 130 | 133.1 Ų | 133.1 | 70% | 0.695 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -93.6 | -3.8 | -178.9 | -72.9 | -51.7 | 0 | 0 | 0 | 114.7 | I301 V302 R303 | I301-N305 PolarHBondContact O-N 2.89Å; I301-N305 PolarHBondContact O-ND2 3.22Å; V302-N305 PolarHBondContact O-N 3.4Å; R303-N305 VanDerWaalsContact C-N 3.34Å |
| 306 | S | 55.8 | Low | 51.6 | Low | 85 Ų | 85 | 129.1 Ų | 129.1 | 59% | 0.594 | 69% | 0.686 | S | S | * | * | trans | -88.6 | 5.6 | 179.6 | 67.6 | 0 | 0 | 0 | 0 | 114.9 | V302 R303 S308 | V302-S306 WeakPolarHBondContact O-CB 3.16Å; V302-S306 PolarHBondContact O-N 3.21Å; V302-S306 VanDerWaalsContact O-N 3.11Å; R303-S306 PolarHBondContact O-OG 3.46Å; S306-S308 PolarHBondContact O-N 3.42Å | ||
| 307 | K | 57.3 | Low | 50.9 | Low | 187 Ų | 187 | 134.5 Ų | 134.5 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | trans | -76.4 | 104.2 | 170.7 | -72.2 | -172.7 | 179.3 | 178.4 | 0 | 110 | ||||
| 308 | S | 48.4 | Very low | 49.9 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -60.6 | 143.1 | 173.3 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | S306 L310 | S306-S308 PolarHBondContact O-N 3.42Å; S308-L310 PolarHBondContact O-N 3.12Å | ||
| 309 | P | 53.6 | Low | 49.1 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -94.2 | 71.5 | -171.1 | 36.7 | -34.2 | 0 | 0 | 0 | 111.6 | ||||
| 310 | L | 44.9 | Very low | 48.3 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | trans | -149.8 | 85.3 | 170.9 | -90.9 | 170.5 | 0 | 0 | 0 | 111.1 | S308 | S308-L310 PolarHBondContact O-N 3.12Š| ||
| 311 | Q | 46.8 | Very low | 47.2 | Very low | 195 Ų | 195 | 133 Ų | 133 | 91% | 0.911 | 74% | 0.744 | S | S | * | * | -178.2 | 99.6 | 117.1 | -96.3 | -172.7 | -10.8 | 0 | 0 | 109.7 | |||||
| 312 | R | 43.4 | Very low | 46.4 | Very low | 248 Ų | 248 | 136 Ų | 136 | 94% | 0.936 | 77% | 0.766 | S | S | * | * | trans | -71.4 | 126.6 | 159.5 | 169.2 | -171.8 | -67 | -153.1 | -1.8 | 107.6 | ||||
| 313 | S | 39.7 | Very low | 45.3 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | -177.7 | 105 | 145.5 | 166.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 314 | L | 39.5 | Very low | 44.1 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | 67.7 | 141.7 | 136.5 | -56.4 | 174.1 | 0 | 0 | 0 | 118.4 | ||||
| 315 | S | 42 | Very low | 43.3 | Very low | 87 Ų | 87 | 138.5 Ų | 138.5 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | cis | -173.1 | 137.8 | -3.9 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 316 | T | 38.7 | Very low | 42.2 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | trans | 45.6 | 124.5 | 143.8 | 58.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 317 | K | 37.4 | Very low | 41.3 | Very low | 201 Ų | 201 | 140.5 Ų | 140.5 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | -171.9 | 139.3 | 87.7 | -98.3 | -178.6 | -179.6 | 177.6 | 0 | 111.8 | |||||
| 318 | C | 35.8 | Very low | 40.1 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -71.6 | 150.3 | 175.7 | -48 | 0 | 0 | 0 | 0 | 112 | ||||
| 319 | T | 35.6 | Very low | 39.7 | Very low | 147 Ų | 147 | 144 Ų | 144 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -148 | 138.2 | 130.9 | 48.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 320 | S | 40.6 | Very low | 38.7 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | -80.3 | 165.1 | -167.5 | -48.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 321 | G | 34.6 | Very low | 38 | Very low | 66 Ų | 66 | 147.6 Ų | 147.6 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | trans | 157.7 | 85.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 322 | T | 42.7 | Very low | 37.3 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | 43.4 | 117.4 | 94 | -42.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 323 | G | 35.6 | Very low | 36.7 | Very low | 64 Ų | 64 | 142.9 Ų | 142.9 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | cis | 141.2 | 131.8 | 21.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 324 | Q | 36.4 | Very low | 36.5 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | 81.9 | 105.7 | 159.7 | -57.8 | -171.4 | -39.2 | 0 | 0 | 121.1 | ||||
| 325 | I | 42.3 | Very low | 36.4 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 80% | 0.795 | 81% | 0.814 | S | S | * | * | 10.9 | 122.6 | 121.9 | -55 | 167.2 | 0 | 0 | 0 | 116.2 | |||||
| 326 | S | 34.1 | Very low | 36.1 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -148.1 | 112.1 | 146.4 | -84.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 327 | T | 38.4 | Very low | 36 | Very low | 135 Ų | 135 | 150.5 Ų | 150.5 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | trans | -62.4 | 134.2 | 159.4 | 21.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 328 | C | 31.8 | Very low | 36 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -141.9 | 121.2 | 161.3 | -134.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 329 | R | 39.5 | Very low | 36.4 | Very low | 241 Ų | 241 | 149 Ų | 149 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -71.4 | 140.6 | 168.8 | -73.9 | 169.5 | 153.3 | 179.4 | -6.8 | 110.2 | ||||
| 330 | T | 32.6 | Very low | 36.6 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -159.4 | 98 | 155.4 | 10.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 331 | R | 31.5 | Very low | 36.8 | Very low | 225 Ų | 225 | 150.6 Ų | 150.6 | 85% | 0.849 | 80% | 0.8 | S | S | * | * | 69.9 | 103 | 63.8 | -147.8 | -176.8 | -156.4 | -170.6 | 4.8 | 111.9 | |||||
| 332 | K | 32.2 | Very low | 37.7 | Very low | 171 Ų | 171 | 156.1 Ų | 156.1 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | 56.1 | 113.5 | 151.1 | -72.5 | -176 | 170.1 | -168.3 | 0 | 118 | ||||
| 333 | D | 30.2 | Very low | 37.7 | Very low | 173 Ų | 173 | 157.7 Ų | 157.7 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | -129.9 | 100.8 | 122.9 | -91.6 | -30.3 | 0 | 0 | 0 | 108.2 | |||||
| 334 | Q | 36.1 | Very low | 38.1 | Very low | 160 Ų | 160 | 162.7 Ų | 162.7 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -108.8 | 99.1 | 165.9 | -172.9 | 134.2 | 35.4 | 0 | 0 | 104.2 | V336 | Q334-V336 VanDerWaalsContact C-N 3.29Å; Q334-V336 HydrophobicContact CG-CG2 3.95Å; Q334-V336 PolarHBondContact O-N 3.36Å; Q334-V336 VanDerWaalsContact O-N 3.08Å | ||
| 335 | Q | 36.3 | Very low | 38.2 | Very low | 183 Ų | 183 | 159.2 Ų | 159.2 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -72.1 | 97.6 | 162.6 | -89 | 177.6 | -11.9 | 0 | 0 | 106.6 | E337 | Q335-E337 PolarHBondContact O-N 3.37Š| ||
| 336 | V | 35.1 | Very low | 38.3 | Very low | 94 Ų | 94 | 157.9 Ų | 157.9 | 57% | 0.57 | 80% | 0.802 | S | S | * | * | trans | -78.4 | 103.1 | 157.7 | -169.3 | 0 | 0 | 0 | 0 | 104.4 | Q334 D338 | Q334-V336 VanDerWaalsContact C-N 3.29Å; Q334-V336 HydrophobicContact CG-CG2 3.95Å; Q334-V336 PolarHBondContact O-N 3.36Å; Q334-V336 VanDerWaalsContact O-N 3.08Å; V336-D338 HydrophobicContact CG1-CB 4.34Å; V336-D338 VanDerWaalsContact CG1-OD1 3.25Å; V336-D338 WeakPolarHBondContact CG1-OD1 3.38Å; V336-D338 VanDerWaalsContact CG1-OD2 3.31Å; V336-D338 WeakPolarHBondContact CG1-OD2 3.41Å; V336-D338 PolarHBondContact O-N 3.36Å | ||
| 337 | E | 37.5 | Very low | 39.1 | Very low | 181 Ų | 181 | 156.2 Ų | 156.2 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -81.3 | 85.4 | 155.5 | -74.4 | -165.1 | 169.9 | 0 | 0 | 106.4 | Q335 E339 | Q335-E337 PolarHBondContact O-N 3.37Å; E337-E339 PolarHBondContact O-N 3.43Å | ||
| 338 | D | 36.4 | Very low | 39.5 | Very low | 121 Ų | 121 | 158.5 Ų | 158.5 | 65% | 0.647 | 79% | 0.788 | S | S | * | * | trans | -73.3 | 103.5 | 152.9 | -70.1 | -35.7 | 0 | 0 | 0 | 106.1 | V336 | V336-D338 HydrophobicContact CG1-CB 4.34Å; V336-D338 VanDerWaalsContact CG1-OD1 3.25Å; V336-D338 WeakPolarHBondContact CG1-OD1 3.38Å; V336-D338 VanDerWaalsContact CG1-OD2 3.31Å; V336-D338 WeakPolarHBondContact CG1-OD2 3.41Å; V336-D338 PolarHBondContact O-N 3.36Å | ||
| 339 | E | 44.9 | Very low | 40.3 | Very low | 167 Ų | 167 | 160 Ų | 160 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -123.7 | 82.8 | 145.7 | -80.4 | -168.5 | 170.9 | 0 | 0 | 106.9 | E337 | E337-E339 PolarHBondContact O-N 3.43Š| ||
| 340 | D | 40.4 | Very low | 40.7 | Very low | 138 Ų | 138 | 157.6 Ų | 157.6 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -52.7 | 125.3 | 147.5 | -72.7 | -43.2 | 0 | 0 | 0 | 108.7 | ||||
| 341 | D | 45.1 | Very low | 41.2 | Very low | 167 Ų | 167 | 162.3 Ų | 162.3 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -142.9 | 71.5 | 152.5 | -104.5 | -14 | 0 | 0 | 0 | 105.9 | ||||
| 342 | E | 53.3 | Low | 41.7 | Very low | 181 Ų | 181 | 159.2 Ų | 159.2 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -96 | 102.9 | 157 | -77.6 | -105.3 | 163.8 | 0 | 0 | 107.1 | ||||
| 343 | E | 41.9 | Very low | 42.2 | Very low | 182 Ų | 182 | 158.5 Ų | 158.5 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -174.8 | 107.1 | 141.5 | -112.1 | -179.9 | -178 | 0 | 0 | 110.3 | ||||
| 344 | L | 44.5 | Very low | 42.9 | Very low | 169 Ų | 169 | 157.7 Ų | 157.7 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -126.6 | 85.2 | 145.9 | -99 | 168.7 | 0 | 0 | 0 | 106.8 | V346 | L344-V346 PolarHBondContact O-N 2.97Š| ||
| 345 | D | 37.9 | Very low | 43.3 | Very low | 117 Ų | 117 | 157.6 Ų | 157.6 | 63% | 0.626 | 81% | 0.805 | S | S | * | * | trans | -53.3 | 108.7 | 159.5 | -174.6 | 18.7 | 0 | 0 | 0 | 108.8 | T347 | D345-T347 WeakPolarHBondContact OD1-CG2 3.44Å; D345-T347 PolarHBondContact OD1-N 3.08Å; D345-T347 WeakPolarHBondContact OD2-CG2 3.26Å | ||
| 346 | V | 44.8 | Very low | 43.7 | Very low | 126 Ų | 126 | 156 Ų | 156 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -101 | 84.9 | 161.4 | -175.6 | 0 | 0 | 0 | 0 | 105.1 | L344 E348 | L344-V346 PolarHBondContact O-N 2.97Å; V346-E348 PolarHBondContact O-N 2.86Å | ||
| 347 | T | 50 | Low | 44.3 | Very low | 88 Ų | 88 | 160.1 Ų | 160.1 | 54% | 0.54 | 82% | 0.817 | S | S | . | * | trans | -57.6 | 119.7 | 162 | 47.1 | 0 | 0 | 0 | 0 | 108.2 | D345 D349 | D345-T347 WeakPolarHBondContact OD1-CG2 3.44Å; D345-T347 PolarHBondContact OD1-N 3.08Å; D345-T347 WeakPolarHBondContact OD2-CG2 3.26Å; T347-D349 PolarHBondContact O-N 3.2Å | ||
| 348 | E | 47.5 | Very low | 44.8 | Very low | 183 Ų | 183 | 158.6 Ų | 158.6 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -52.2 | 113 | 156.5 | -63.2 | 175.7 | 153.7 | 0 | 0 | 108.3 | V346 | V346-E348 PolarHBondContact O-N 2.86Š| ||
| 349 | D | 49.1 | Very low | 45.4 | Very low | 157 Ų | 157 | 161.5 Ų | 161.5 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | trans | -104.4 | 90 | 157.3 | -86.7 | -30.5 | 0 | 0 | 0 | 107.7 | T347 | T347-D349 PolarHBondContact O-N 3.2Š| ||
| 350 | E | 48.4 | Very low | 45.4 | Very low | 191 Ų | 191 | 161.1 Ų | 161.1 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | -72.6 | 115 | 147.8 | -78.8 | -167.1 | 143.1 | 0 | 0 | 108.4 | ||||
| 351 | N | 42.5 | Very low | 45.9 | Very low | 234 Ų | 234 | 163.2 Ų | 163.2 | 100% | 1.251 | 84% | 0.84 | S | S | * | * | -160.5 | 0 | 129.8 | -151.2 | 18.6 | 0 | 0 | 0 | 111.6 |
Retrieved 351 of 351 residues in 285.4 ms
(Link to these results)