| 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 | 26.1 | Very low | 29.5 | Very low | 148 Ų | 148 | 98.5 Ų | 98.5 | 73% | 0.729 | 60% | 0.602 | S | S | * | * | 0 | 83.3 | 0 | -92.6 | -53.1 | -173.2 | 0 | 0 | 108.3 | T711 G712 P713 | M1-T711 CarbonylContact C-O 3.13Å; M1-T711 WeakPolarHBondContact CA-O 3.43Å; M1-T711 PolarHBondContact N-O 2.79Å; M1-G712 WeakPolarHBondContact CA-O 3.28Å; M1-G712 VanDerWaalsContact CG-C 3.49Å; M1-G712 VanDerWaalsContact CG-O 3.25Å; M1-G712 WeakPolarHBondContact CG-O 3.16Å; M1-G712 PolarHBondContact N-O 3.22Å; M1-P713 HydrophobicContact CE-CB 3.61Å; M1-P713 HydrophobicContact CE-CG 3.73Å; M1-P713 HydrophobicContact CG-CB 3.98Å | |||
| 2 | A | 31.1 | Very low | 29 | Very low | 51 Ų | 51 | 101.6 Ų | 101.6 | 42% | 0.421 | 62% | 0.621 | S | S | . | * | trans | 45.6 | 121 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118 | T711 | A2-T711 PolarHBondContact N-O 3.41Š| ||
| 3 | D | 28.1 | Very low | 29.1 | Very low | 99 Ų | 99 | 102.8 Ų | 102.8 | 53% | 0.529 | 63% | 0.632 | S | S | . | * | 45.7 | 111.2 | 66.4 | -55.9 | -43.6 | 0 | 0 | 0 | 111.2 | N709 N710 | D3-N709 PolarHBondContact O-OD1 3.06Å; D3-N710 PolarHBondContact OD2-N 3.16Å | |||
| 4 | S | 28.1 | Very low | 28.7 | Very low | 61 Ų | 61 | 105.9 Ų | 105.9 | 43% | 0.427 | 64% | 0.642 | S | S | . | * | 89.2 | 107.3 | 62.4 | 79.3 | 0 | 0 | 0 | 0 | 112.5 | L707 Y708 N709 | S4-L707 PolarHBondContact OG-O 2.87Å; S4-Y708 CarbonylContact O-C 3.5Å; S4-Y708 VanDerWaalsContact O-C 3.28Å; S4-Y708 VanDerWaalsContact O-CA 3.24Å; S4-Y708 WeakPolarHBondContact O-CA 3.38Å; S4-Y708 PolarHBondContact O-N 2.81Å; S4-Y708 PolarHBondContact OG-O 3.3Å; S4-N709 PolarHBondContact O-N 3.33Å; S4-N709 PolarHBondContact O-OD1 3.19Å; S4-N709 PolarHBondContact OG-N 3.1Å | |||
| 5 | N | 31.3 | Very low | 28.4 | Very low | 71 Ų | 71 | 113 Ų | 113 | 38% | 0.38 | 66% | 0.655 | S | S | . | * | trans | -162.2 | 106.8 | 152.5 | -105.7 | -31.2 | 0 | 0 | 0 | 113.6 | Y708 N709 | N5-Y708 WeakPolarHBondContact ND2-CD1 3.29Å; N5-Y708 VanDerWaalsContact ND2-CD2 3.29Å; N5-Y708 WeakPolarHBondContact ND2-CD2 3.13Å; N5-Y708 WeakPolarHBondContact ND2-CE1 3.13Å; N5-Y708 VanDerWaalsContact ND2-CE2 3.3Å; N5-Y708 WeakPolarHBondContact ND2-CE2 3.42Å; N5-Y708 VanDerWaalsContact ND2-CG 3.26Å; N5-Y708 VanDerWaalsContact ND2-CZ 3.27Å; N5-Y708 WeakPolarHBondContact OD1-CA 3.42Å; N5-Y708 WeakPolarHBondContact OD1-CD2 3.25Å; N5-Y708 VanDerWaalsContact OD1-CE2 3.29Å; N5-Y708 WeakPolarHBondContact OD1-CE2 3.2Å; N5-Y708 PolarHBondContact OD1-N 2.86Å; N5-N709 PolarHBondContact ND2-ND2 2.94Å; N5-N709 VanDerWaalsContact ND2-ND2 3.14Å | ||
| 6 | C | 23.6 | Very low | 28.1 | Very low | 88 Ų | 88 | 113.4 Ų | 113.4 | 60% | 0.595 | 66% | 0.66 | S | S | * | * | trans | -80.8 | 160.4 | 141 | -57.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 7 | V | 29.3 | Very low | 27.9 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 66% | 0.655 | 67% | 0.67 | S | S | * | * | -171.2 | 136.2 | 125.3 | 143.1 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 8 | D | 24.3 | Very low | 27.6 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 65% | 0.647 | 67% | 0.671 | S | S | * | * | trans | -88.9 | 169.8 | 178.6 | -81.9 | -65.6 | 0 | 0 | 0 | 112.9 | ||||
| 9 | S | 27.2 | Very low | 27.5 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | trans | 75.5 | 168.1 | 154.2 | -0.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 10 | P | 42.5 | Very low | 27.3 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | cis | -121.5 | -153 | -14.3 | 33.3 | -10.8 | 0 | 0 | 0 | 108.7 | ||||
| 11 | P | 33.3 | Very low | 27.1 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 71% | 0.714 | 69% | 0.693 | S | S | * | * | cis | -139 | 165.1 | 0.5 | 42.7 | -24 | 0 | 0 | 0 | 118.5 | ||||
| 12 | T | 23.7 | Very low | 27.1 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | trans | -76.3 | 143.7 | 150.7 | 48.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 13 | P | 30.1 | Very low | 26.7 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | trans | -120.7 | 143.6 | 145.8 | 33.8 | -24.6 | 0 | 0 | 0 | 111.9 | ||||
| 14 | N | 22.7 | Very low | 26.6 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | trans | -59.9 | 150.2 | 157.5 | -66.1 | -40 | 0 | 0 | 0 | 109 | ||||
| 15 | Y | 25.6 | Very low | 26.4 | Very low | 213 Ų | 213 | 132.2 Ų | 132.2 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | 179.3 | 145.2 | 106.1 | -108.6 | -86.7 | 0 | 0 | 0 | 110.8 | |||||
| 16 | V | 22.8 | Very low | 26 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -80 | 135 | 165.4 | 172.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 17 | Y | 25.3 | Very low | 25.8 | Very low | 214 Ų | 214 | 137.1 Ų | 137.1 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | -137.7 | 141.4 | 149.1 | -112.4 | -81.6 | 0 | 0 | 0 | 111.4 | ||||
| 18 | T | 22.6 | Very low | 25.5 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | -82 | 177.5 | -178.2 | 45 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 19 | L | 25.4 | Very low | 25.7 | Very low | 156 Ų | 156 | 143 Ų | 143 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | -47.1 | 145.4 | 167.7 | -63.8 | 90.7 | 0 | 0 | 0 | 111.7 | ||||
| 20 | N | 24 | Very low | 25.6 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | -159.9 | 162.3 | 125.6 | -101.3 | -4.5 | 0 | 0 | 0 | 111.7 | |||||
| 21 | E | 22.9 | Very low | 25.5 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -66.8 | 165.8 | 179.2 | -58.1 | 149.8 | 141 | 0 | 0 | 111.8 | ||||
| 22 | V | 26 | Very low | 25.1 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | -174.3 | 140.9 | 121.9 | 145.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 23 | T | 22.9 | Very low | 24.9 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -73.4 | 151.6 | 172.6 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 24 | D | 25.2 | Very low | 24.7 | Very low | 145 Ų | 145 | 153.3 Ų | 153.3 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | 156.6 | 156.1 | 147.2 | -87 | -0.5 | 0 | 0 | 0 | 110.8 | ||||
| 25 | V | 24.5 | Very low | 24.9 | Very low | 106 Ų | 106 | 150.8 Ų | 150.8 | 64% | 0.642 | 79% | 0.794 | S | S | * | * | cis | -156.9 | 143.6 | -24.8 | 118.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 26 | Q | 21.5 | Very low | 24.8 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | 38.7 | 128.5 | 153.8 | -59.6 | 175.1 | -11 | 0 | 0 | 123.2 | ||||
| 27 | S | 21.4 | Very low | 24.9 | Very low | 96 Ų | 96 | 148.2 Ų | 148.2 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | 100.7 | 135.1 | 123.3 | 76.1 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 28 | N | 23.1 | Very low | 25 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | 63.6 | 107.8 | 148.8 | -57.4 | -18.5 | 0 | 0 | 0 | 119.6 | ||||
| 29 | F | 26.7 | Very low | 25.2 | Very low | 214 Ų | 214 | 144.4 Ų | 144.4 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | -167.3 | 137.3 | 104.4 | -107 | -76.3 | 0 | 0 | 0 | 111.6 | |||||
| 30 | V | 25.2 | Very low | 25.3 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 150.3 | 179.4 | 166.1 | 0 | 0 | 0 | 0 | 109.2 | ||
| 31 | P | 41.3 | Very low | 25.3 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 155.6 | -147.9 | 33.6 | -36.2 | 0 | 0 | 0 | 116 | ||
| 32 | L | 24.8 | Very low | 25.5 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 128.7 | 175 | -87.4 | 88.8 | 0 | 0 | 0 | 112.9 | ||
| 33 | K | 20.1 | Very low | 25.4 | Very low | 199 Ų | 199 | 144.2 Ų | 144.2 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 141.9 | 157.1 | -64.5 | 171.5 | 175.8 | 174.6 | 0 | 109.8 | ||
| 34 | M | 24.7 | Very low | 25.8 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | -149 | 122.1 | 140.5 | -88.4 | -154.6 | 167 | 0 | 0 | 111 | ||||
| 35 | A | 26.5 | Very low | 25.8 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 38.9 | 150.1 | 143.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 36 | S | 24.2 | Very low | 26.2 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | cis | 174.1 | 155.6 | -30 | 51.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 37 | Q | 25.8 | Very low | 26.5 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | 74.6 | 144.7 | 166.4 | -57.3 | 179.3 | -18.3 | 0 | 0 | 117.1 | ||||
| 38 | V | 26.3 | Very low | 27 | Very low | 112 Ų | 112 | 148.5 Ų | 148.5 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | cis | -162.2 | 164.2 | -11.6 | 124.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 39 | D | 27.7 | Very low | 27.3 | Very low | 133 Ų | 133 | 147.8 Ų | 147.8 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | 65.7 | 104.9 | 173.7 | -60.4 | -23.8 | 0 | 0 | 0 | 118.3 | ||||
| 40 | T | 26.5 | Very low | 27.6 | Very low | 114 Ų | 114 | 141 Ų | 141 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | 78.7 | 106.1 | 57.8 | 70.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 41 | Q | 24.8 | Very low | 28 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 164.9 | 145.8 | 98.5 | -108 | 171.8 | 28.6 | 0 | 0 | 114.9 | |||||
| 42 | N | 27.3 | Very low | 28.1 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 67% | 0.674 | 79% | 0.793 | S | S | * | * | trans | 75.8 | 92.3 | 150.2 | -57.1 | -15.2 | 0 | 0 | 0 | 121.8 | ||||
| 43 | Y | 23.6 | Very low | 29.1 | Very low | 219 Ų | 219 | 143.7 Ų | 143.7 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | 17.9 | 125.9 | 118.8 | -76.5 | -93.3 | 0 | 0 | 0 | 119.5 | |||||
| 44 | A | 30 | Very low | 31.1 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | -161.4 | 130 | 107 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 45 | S | 25.9 | Very low | 33.5 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | -80 | 147.4 | 170.4 | -40.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 46 | D | 33.3 | Very low | 36.3 | Very low | 169 Ų | 169 | 130 Ų | 130 | 90% | 0.904 | 72% | 0.718 | S | S | * | * | trans | -147.1 | 124.4 | 146 | -105.4 | -29.3 | 0 | 0 | 0 | 108.7 | ||||
| 47 | E | 26.5 | Very low | 39 | Very low | 181 Ų | 181 | 125.5 Ų | 125.5 | 85% | 0.846 | 69% | 0.686 | S | S | * | * | trans | -79 | 128.8 | -178.6 | -63 | 178 | 128.5 | 0 | 0 | 110.3 | ||||
| 48 | L | 33.4 | Very low | 41.3 | Very low | 168 Ų | 168 | 121.1 Ų | 121.1 | 88% | 0.88 | 68% | 0.676 | S | S | * | * | trans | -147.9 | 75.3 | 156 | -112.1 | 148.5 | 0 | 0 | 0 | 109.7 | A50 | L48-A50 PolarHBondContact O-N 2.8Š| ||
| 49 | S | 27.9 | Very low | 43.6 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | trans | -61 | 101.8 | 165.1 | 53.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 50 | A | 33.8 | Very low | 46.1 | Very low | 73 Ų | 73 | 116.6 Ų | 116.6 | 60% | 0.603 | 65% | 0.65 | S | S | * | * | trans | -130.9 | 114.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | L48 Y52 | L48-A50 PolarHBondContact O-N 2.8Å; A50-Y52 VanDerWaalsContact C-N 3.26Å; A50-Y52 PolarHBondContact O-N 3.22Å | ||
| 51 | T | 34.5 | Very low | 48.4 | Very low | 136 Ų | 136 | 117.2 Ų | 117.2 | 83% | 0.834 | 65% | 0.645 | S | S | * | * | trans | -64.4 | 77.7 | -179.2 | 48 | 0 | 0 | 0 | 0 | 111.9 | T53 | T51-T53 PolarHBondContact O-N 3.31Š| ||
| 52 | Y | 41.3 | Very low | 51.1 | Low | 210 Ų | 210 | 112.2 Ų | 112.2 | 82% | 0.824 | 63% | 0.627 | S | S | * | * | trans | -81 | 92.7 | 158.7 | -100.2 | -84.3 | 0 | 0 | 0 | 108.5 | A50 G54 | A50-Y52 VanDerWaalsContact C-N 3.26Å; A50-Y52 PolarHBondContact O-N 3.22Å; Y52-G54 PolarHBondContact O-N 3.22Å | ||
| 53 | T | 47.5 | Very low | 53.8 | Low | 131 Ų | 131 | 113.4 Ų | 113.4 | 80% | 0.804 | 63% | 0.627 | S | S | * | * | trans | -67.9 | 60.6 | 163 | 54 | 0 | 0 | 0 | 0 | 109.7 | T51 L55 | T51-T53 PolarHBondContact O-N 3.31Å; T53-L55 PolarHBondContact O-N 3.32Å | ||
| 54 | G | 61.2 | Low | 56.9 | Low | 26 Ų | 26 | 104.5 Ų | 104.5 | 27% | 0.268 | 59% | 0.593 | S | S | . | * | trans | -71.3 | 120.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y52 H56 | Y52-G54 PolarHBondContact O-N 3.22Å; G54-H56 PolarHBondContact O-N 3.07Å | ||
| 55 | L | 75.1 | Confident | 59.5 | Low | 63 Ų | 63 | 106.5 Ų | 106.5 | 33% | 0.33 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.3 | 103.7 | 176.1 | -69.4 | 173.6 | 0 | 0 | 0 | 107.9 | T53 F64 S67 M70 | T53-L55 PolarHBondContact O-N 3.32Å; L55-F64 PolarHBondContact N-O 3.41Å; L55-F64 WeakPolarHBondContact O-CB 3.4Å; L55-F64 WeakPolarHBondContact O-CD2 2.92Å; L55-F64 PolarHBondContact O-N 2.9Å; L55-S67 VanDerWaalsContact CD1-CA 3.44Å; L55-M70 HydrophobicContact CB-CB 4.08Å; L55-M70 HydrophobicContact CB-CE 3.88Å; L55-M70 HydrophobicContact CB-CG 4.5Å; L55-M70 HydrophobicContact CB-SD 3.71Å; L55-M70 HydrophobicContact CD1-CB 4.4Å; L55-M70 HydrophobicContact CD2-CE 3.95Å; L55-M70 HydrophobicContact CG-CE 4.35Å |
| 56 | H | 85.1 | Confident | 62.2 | Low | 101 Ų | 101 | 103.5 Ų | 103.5 | 47% | 0.468 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.8 | 138.9 | 179.1 | 81.1 | -87.7 | 0 | 0 | 0 | 110.3 | G54 S58 C62 F63 | G54-H56 PolarHBondContact O-N 3.07Å; H56-S58 PolarHBondContact O-N 2.76Å; H56-C62 CarbonylContact C-O 3.54Å; H56-C62 WeakPolarHBondContact CA-O 3.23Å; H56-F63 HydrophobicContact CB-CD1 3.86Å; H56-F63 HydrophobicContact CB-CE1 3.91Å; H56-F63 HydrophobicContact CB-CG 4.48Å |
| 57 | C | 81.1 | Confident | 64.7 | Low | 1 Ų | 1 | 99 Ų | 99 | 1% | 0.007 | 55% | 0.55 | C | S | . | * | trans | -78.2 | 122.7 | 175.5 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | I59 H61 C62 F64 H73 H77 | C57-I59 PolarHBondContact O-N 2.92Å; C57-I59 VanDerWaalsContact O-N 3.17Å; C57-I59 PolarHBondContact SG-N 3.28Å; C57-I59 VanDerWaalsContact SG-N 3.43Å; C57-H61 WeakPolarHBondContact O-CA 3.24Å; C57-H61 PolarHBondContact O-N 3.37Å; C57-C62 PolarHBondContact N-O 3.03Å; C57-F64 HydrophobicContact CB-CE2 4.05Å; C57-H73 WeakPolarHBondContact CB-NE2 3.42Å; C57-H73 PolarHBondContact SG-NE2 3.14Å; C57-H77 VanDerWaalsContact SG-CD2 3.56Å; C57-H77 PolarHBondContact SG-NE2 2.97Å | ||
| 58 | S | 74.9 | Confident | 67.3 | Low | 91 Ų | 91 | 95.7 Ų | 95.7 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -15.2 | 176.4 | 52.5 | 0 | 0 | 0 | 0 | 114.5 | H56 | H56-S58 PolarHBondContact O-N 2.76Š|
| 59 | I | 73.5 | Confident | 69.5 | Low | 99 Ų | 99 | 91.6 Ų | 91.6 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -24.7 | -174.6 | -51 | 167.9 | 0 | 0 | 0 | 112.4 | C57 H77 | C57-I59 PolarHBondContact O-N 2.92Å; C57-I59 VanDerWaalsContact O-N 3.17Å; C57-I59 PolarHBondContact SG-N 3.28Å; C57-I59 VanDerWaalsContact SG-N 3.43Å; I59-H77 HydrophobicContact CD1-CB 3.73Å; I59-H77 VanDerWaalsContact CG2-CE1 3.46Å; I59-H77 WeakPolarHBondContact CG2-CE1 3.09Å; I59-H77 VanDerWaalsContact CG2-ND1 3.3Å; I59-H77 WeakPolarHBondContact CG2-ND1 3.36Å |
| 60 | C | 81.9 | Confident | 72.2 | Confident | 51 Ų | 51 | 87.5 Ų | 87.5 | 35% | 0.345 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.6 | 3.2 | 178 | 73.1 | 0 | 0 | 0 | 0 | 115.6 | C62 H73 H77 | C60-C62 PolarHBondContact O-N 3.03Å; C60-C62 VanDerWaalsContact O-N 3.09Å; C60-H73 PolarHBondContact SG-CE1 3.44Å; C60-H73 PolarHBondContact SG-NE2 3.45Å; C60-H77 PolarHBondContact SG-NE2 3.41Å |
| 61 | H | 74.8 | Confident | 74.3 | Confident | 127 Ų | 127 | 86.5 Ų | 86.5 | 59% | 0.588 | 47% | 0.471 | S | S | * | . | trans | 56.7 | 20.3 | 179.9 | -51.1 | -71.7 | 0 | 0 | 0 | 115.6 | C57 | C57-H61 WeakPolarHBondContact O-CA 3.24Å; C57-H61 PolarHBondContact O-N 3.37Å | ||
| 62 | C | 80.3 | Confident | 76.3 | Confident | 60 Ų | 60 | 87.6 Ų | 87.6 | 41% | 0.405 | 46% | 0.46 | S | S | . | . | trans | -69.3 | 136.8 | 167.1 | -74.4 | 0 | 0 | 0 | 0 | 110.8 | H56 C57 C60 F64 | H56-C62 CarbonylContact C-O 3.54Å; H56-C62 WeakPolarHBondContact CA-O 3.23Å; C57-C62 PolarHBondContact N-O 3.03Å; C60-C62 PolarHBondContact O-N 3.03Å; C60-C62 VanDerWaalsContact O-N 3.09Å; C62-F64 HydrophobicContact CB-CE2 3.58Å; C62-F64 HydrophobicContact CB-CZ 3.47Å; C62-F64 VanDerWaalsContact CB-CZ 3.47Å; C62-F64 WeakPolarHBondContact O-CD2 3.24Å; C62-F64 WeakPolarHBondContact O-CE2 3.37Å | ||
| 63 | F | 84 | Confident | 78.2 | Confident | 152 Ų | 152 | 78.9 Ų | 78.9 | 67% | 0.667 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 139.7 | 175.8 | -65.2 | -92.1 | 0 | 0 | 0 | 111.2 | H56 | H56-F63 HydrophobicContact CB-CD1 3.86Å; H56-F63 HydrophobicContact CB-CE1 3.91Å; H56-F63 HydrophobicContact CB-CG 4.48Å |
| 64 | F | 89.1 | Confident | 79.5 | Confident | 31 Ų | 31 | 75 Ų | 75 | 14% | 0.136 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139.1 | -179.2 | -60.9 | -76.6 | 0 | 0 | 0 | 112 | L55 C57 C62 Q69 M70 H73 | L55-F64 PolarHBondContact N-O 3.41Å; L55-F64 WeakPolarHBondContact O-CB 3.4Å; L55-F64 WeakPolarHBondContact O-CD2 2.92Å; L55-F64 PolarHBondContact O-N 2.9Å; C57-F64 HydrophobicContact CB-CE2 4.05Å; C62-F64 HydrophobicContact CB-CE2 3.58Å; C62-F64 HydrophobicContact CB-CZ 3.47Å; C62-F64 VanDerWaalsContact CB-CZ 3.47Å; C62-F64 WeakPolarHBondContact O-CD2 3.24Å; C62-F64 WeakPolarHBondContact O-CE2 3.37Å; F64-Q69 HydrophobicContact CB-CB 4.12Å; F64-Q69 HydrophobicContact CD1-CB 3.97Å; F64-Q69 HydrophobicContact CG-CB 4.4Å; F64-M70 HydrophobicContact CB-CB 3.99Å; F64-M70 HydrophobicContact CD2-CB 3.97Å; F64-M70 HydrophobicContact CD2-CG 4.04Å; F64-M70 HydrophobicContact CD2-SD 4.4Å; F64-M70 HydrophobicContact CG-CB 4.08Å; F64-H73 HydrophobicContact CD1-CB 4.45Å; F64-H73 HydrophobicContact CE1-CB 3.76Å; F64-H73 AromaticContact CE1-CG 3.83Å; F64-H73 HydrophobicContact CE2-CB 4.01Å; F64-H73 AromaticContact CE2-CD2 3.13Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.29Å; F64-H73 AromaticContact CE2-CG 3.53Å; F64-H73 AromaticContact CE2-NE2 3.61Å; F64-H73 HydrophobicContact CZ-CB 3.54Å; F64-H73 AromaticContact CZ-CD2 3.23Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.3Å; F64-H73 AromaticContact CZ-CE1 3.77Å; F64-H73 AromaticContact CZ-CG 3.11Å; F64-H73 AromaticContact CZ-ND1 3.49Å; F64-H73 WeakPolarHBondContact CZ-ND1 2.93Å; F64-H73 AromaticContact CZ-NE2 3.63Å |
| 65 | N | 85 | Confident | 80.1 | Confident | 142 Ų | 142 | 78.3 Ų | 78.3 | 76% | 0.759 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -87.3 | -4.2 | -176.2 | -63.8 | 6.3 | 0 | 0 | 0 | 113 | ||
| 66 | S | 82.8 | Confident | 79.7 | Confident | 39 Ų | 39 | 78.5 Ų | 78.5 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -153.4 | 156.2 | 173.7 | 81.2 | 0 | 0 | 0 | 0 | 113.1 | D68 Q69 M70 | S66-D68 VanDerWaalsContact C-N 3.26Å; S66-D68 PolarHBondContact O-N 2.86Å; S66-Q69 WeakPolarHBondContact O-CB 3.29Å; S66-Q69 PolarHBondContact O-N 3.34Å; S66-Q69 WeakPolarHBondContact OG-CG 3.32Å; S66-Q69 PolarHBondContact OG-N 3.34Å; S66-M70 PolarHBondContact O-N 2.86Å |
| 67 | S | 84.5 | Confident | 79 | Confident | 74 Ų | 74 | 74.8 Ų | 74.8 | 52% | 0.517 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61 | -33.7 | 177.2 | -169.2 | 0 | 0 | 0 | 0 | 112.4 | L55 Q69 M70 S71 | L55-S67 VanDerWaalsContact CD1-CA 3.44Å; S67-Q69 VanDerWaalsContact C-N 3.33Å; S67-Q69 PolarHBondContact O-N 3.19Å; S67-M70 PolarHBondContact O-N 3.24Å; S67-S71 WeakPolarHBondContact O-CB 3.4Å; S67-S71 PolarHBondContact O-N 2.83Å; S67-S71 PolarHBondContact O-OG 3.21Å |
| 68 | D | 81.5 | Confident | 78 | Confident | 111 Ų | 111 | 80.7 Ų | 80.7 | 59% | 0.594 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.8 | -31.7 | 174.2 | -63 | -40.5 | 0 | 0 | 0 | 113.3 | S66 R72 | S66-D68 VanDerWaalsContact C-N 3.26Å; S66-D68 PolarHBondContact O-N 2.86Å; D68-R72 VanDerWaalsContact O-CB 3.31Å; D68-R72 WeakPolarHBondContact O-CB 3.46Å; D68-R72 WeakPolarHBondContact O-CG 3.36Å; D68-R72 PolarHBondContact O-N 2.91Å; D68-R72 PolarHBondContact O-NE 3.11Å |
| 69 | Q | 80.6 | Confident | 77.3 | Confident | 83 Ų | 83 | 80.4 Ų | 80.4 | 39% | 0.388 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73.3 | -46.3 | 175.3 | -71.2 | -180 | 14.1 | 0 | 0 | 110.1 | F64 S66 S67 S71 R72 H73 | F64-Q69 HydrophobicContact CB-CB 4.12Å; F64-Q69 HydrophobicContact CD1-CB 3.97Å; F64-Q69 HydrophobicContact CG-CB 4.4Å; S66-Q69 WeakPolarHBondContact O-CB 3.29Å; S66-Q69 PolarHBondContact O-N 3.34Å; S66-Q69 WeakPolarHBondContact OG-CG 3.32Å; S66-Q69 PolarHBondContact OG-N 3.34Å; S67-Q69 VanDerWaalsContact C-N 3.33Å; S67-Q69 PolarHBondContact O-N 3.19Å; Q69-S71 VanDerWaalsContact C-N 3.35Å; Q69-S71 PolarHBondContact O-N 2.86Å; Q69-R72 PolarHBondContact O-N 3.42Å; Q69-H73 VanDerWaalsContact O-CB 3.3Å; Q69-H73 WeakPolarHBondContact O-CB 3.27Å; Q69-H73 PolarHBondContact O-N 3.48Å |
| 70 | M | 83.1 | Confident | 76.9 | Confident | 36 Ų | 36 | 77.8 Ų | 77.8 | 18% | 0.177 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 174.5 | -171.8 | 157.6 | 85.1 | 0 | 0 | 111.4 | L55 F64 S66 S67 H73 L74 | L55-M70 HydrophobicContact CB-CB 4.08Å; L55-M70 HydrophobicContact CB-CE 3.88Å; L55-M70 HydrophobicContact CB-CG 4.5Å; L55-M70 HydrophobicContact CB-SD 3.71Å; L55-M70 HydrophobicContact CD1-CB 4.4Å; L55-M70 HydrophobicContact CD2-CE 3.95Å; L55-M70 HydrophobicContact CG-CE 4.35Å; F64-M70 HydrophobicContact CB-CB 3.99Å; F64-M70 HydrophobicContact CD2-CB 3.97Å; F64-M70 HydrophobicContact CD2-CG 4.04Å; F64-M70 HydrophobicContact CD2-SD 4.4Å; F64-M70 HydrophobicContact CG-CB 4.08Å; S66-M70 PolarHBondContact O-N 2.86Å; S67-M70 PolarHBondContact O-N 3.24Å; M70-H73 CarbonylContact O-C 3.5Å; M70-H73 PolarHBondContact O-N 2.91Å; M70-H73 VanDerWaalsContact O-N 3.11Å; M70-L74 HydrophobicContact CE-CD1 4.24Å; M70-L74 HydrophobicContact CG-CD1 3.84Å; M70-L74 HydrophobicContact CG-CG 3.91Å; M70-L74 WeakPolarHBondContact O-CB 3.41Å; M70-L74 WeakPolarHBondContact O-CG 3.5Å; M70-L74 PolarHBondContact O-N 3.2Å |
| 71 | S | 79.1 | Confident | 76.5 | Confident | 52 Ų | 52 | 78.7 Ų | 78.7 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 177.8 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | S67 Q69 H73 N75 | S67-S71 WeakPolarHBondContact O-CB 3.4Å; S67-S71 PolarHBondContact O-N 2.83Å; S67-S71 PolarHBondContact O-OG 3.21Å; Q69-S71 VanDerWaalsContact C-N 3.35Å; Q69-S71 PolarHBondContact O-N 2.86Å; S71-H73 VanDerWaalsContact C-N 3.27Å; S71-H73 PolarHBondContact O-N 3.24Å; S71-N75 WeakPolarHBondContact O-CB 3.17Å; S71-N75 VanDerWaalsContact O-CG 3.26Å; S71-N75 PolarHBondContact O-N 3.29Å; S71-N75 PolarHBondContact O-ND2 2.76Å |
| 72 | R | 75.5 | Confident | 76.2 | Confident | 159 Ų | 159 | 75.6 Ų | 75.6 | 60% | 0.6 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.4 | -32.2 | 171.3 | -81.7 | 176.6 | -76.4 | 167.2 | -13.2 | 112.7 | D68 Q69 I76 | D68-R72 VanDerWaalsContact O-CB 3.31Å; D68-R72 WeakPolarHBondContact O-CB 3.46Å; D68-R72 WeakPolarHBondContact O-CG 3.36Å; D68-R72 PolarHBondContact O-N 2.91Å; D68-R72 PolarHBondContact O-NE 3.11Å; Q69-R72 PolarHBondContact O-N 3.42Å; R72-I76 PolarHBondContact O-N 3.48Å |
| 73 | H | 80.8 | Confident | 76 | Confident | 27 Ų | 27 | 77.6 Ų | 77.6 | 13% | 0.125 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -79.1 | -41.3 | 177.5 | 169.8 | 73.6 | 0 | 0 | 0 | 113.2 | C57 C60 F64 Q69 M70 S71 N75 I76 H77 | C57-H73 WeakPolarHBondContact CB-NE2 3.42Å; C57-H73 PolarHBondContact SG-NE2 3.14Å; C60-H73 PolarHBondContact SG-CE1 3.44Å; C60-H73 PolarHBondContact SG-NE2 3.45Å; F64-H73 HydrophobicContact CD1-CB 4.45Å; F64-H73 HydrophobicContact CE1-CB 3.76Å; F64-H73 AromaticContact CE1-CG 3.83Å; F64-H73 HydrophobicContact CE2-CB 4.01Å; F64-H73 AromaticContact CE2-CD2 3.13Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.29Å; F64-H73 AromaticContact CE2-CG 3.53Å; F64-H73 AromaticContact CE2-NE2 3.61Å; F64-H73 HydrophobicContact CZ-CB 3.54Å; F64-H73 AromaticContact CZ-CD2 3.23Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.3Å; F64-H73 AromaticContact CZ-CE1 3.77Å; F64-H73 AromaticContact CZ-CG 3.11Å; F64-H73 AromaticContact CZ-ND1 3.49Å; F64-H73 WeakPolarHBondContact CZ-ND1 2.93Å; F64-H73 AromaticContact CZ-NE2 3.63Å; Q69-H73 VanDerWaalsContact O-CB 3.3Å; Q69-H73 WeakPolarHBondContact O-CB 3.27Å; Q69-H73 PolarHBondContact O-N 3.48Å; M70-H73 CarbonylContact O-C 3.5Å; M70-H73 PolarHBondContact O-N 2.91Å; M70-H73 VanDerWaalsContact O-N 3.11Å; S71-H73 VanDerWaalsContact C-N 3.27Å; S71-H73 PolarHBondContact O-N 3.24Å; H73-N75 PolarHBondContact O-N 2.84Å; H73-I76 WeakPolarHBondContact O-CA 3.3Å; H73-I76 VanDerWaalsContact O-CB 3.25Å; H73-I76 WeakPolarHBondContact O-CB 3.25Å; H73-I76 PolarHBondContact O-N 3.42Å; H73-H77 AromaticContact CD2-CD2 3.92Å; H73-H77 AromaticContact CE1-CD2 3.66Å; H73-H77 AromaticContact CE1-NE2 3.26Å; H73-H77 PolarHBondContact CE1-NE2 2.94Å; H73-H77 VanDerWaalsContact CE1-NE2 3.26Å; H73-H77 AromaticContact NE2-CD2 3.4Å; H73-H77 PolarHBondContact NE2-CD2 3Å; H73-H77 AromaticContact NE2-NE2 3.15Å; H73-H77 PolarHBondContact NE2-NE2 2.83Å; H73-H77 VanDerWaalsContact NE2-NE2 3.15Å; H73-H77 PolarHBondContact O-N 2.91Å; H73-H77 VanDerWaalsContact O-N 3.17Å |
| 74 | L | 76.2 | Confident | 75.7 | Confident | 51 Ų | 51 | 73.4 Ų | 73.4 | 27% | 0.267 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.4 | -35.3 | 169.1 | -73 | 174.1 | 0 | 0 | 0 | 110.2 | M70 I76 H77 N78 | M70-L74 HydrophobicContact CE-CD1 4.24Å; M70-L74 HydrophobicContact CG-CD1 3.84Å; M70-L74 HydrophobicContact CG-CG 3.91Å; M70-L74 WeakPolarHBondContact O-CB 3.41Å; M70-L74 WeakPolarHBondContact O-CG 3.5Å; M70-L74 PolarHBondContact O-N 3.2Å; L74-I76 PolarHBondContact O-N 3.43Å; L74-H77 CarbonylContact O-C 3.56Å; L74-H77 WeakPolarHBondContact O-CA 3.41Å; L74-H77 WeakPolarHBondContact O-CB 3.15Å; L74-H77 PolarHBondContact O-N 2.76Å; L74-H77 VanDerWaalsContact O-N 3.07Å; L74-N78 WeakPolarHBondContact O-CB 3.14Å; L74-N78 PolarHBondContact O-N 2.98Å; L74-N78 PolarHBondContact O-ND2 3Å; L74-N78 PolarHBondContact O-OD1 2.78Å |
| 75 | N | 72.3 | Confident | 75.3 | Confident | 95 Ų | 95 | 71.9 Ų | 71.9 | 51% | 0.508 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.4 | -30.8 | 169.1 | -79.5 | -24 | 0 | 0 | 0 | 113.2 | S71 H73 T79 | S71-N75 WeakPolarHBondContact O-CB 3.17Å; S71-N75 VanDerWaalsContact O-CG 3.26Å; S71-N75 PolarHBondContact O-N 3.29Å; S71-N75 PolarHBondContact O-ND2 2.76Å; H73-N75 PolarHBondContact O-N 2.84Å; N75-T79 WeakPolarHBondContact O-CG2 3.39Å; N75-T79 PolarHBondContact O-N 3.15Å |
| 76 | I | 67.5 | Low | 74.8 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 34% | 0.338 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 171.8 | -59.1 | 168 | 0 | 0 | 0 | 110.1 | R72 H73 L74 T79 V84 | R72-I76 PolarHBondContact O-N 3.48Å; H73-I76 WeakPolarHBondContact O-CA 3.3Å; H73-I76 VanDerWaalsContact O-CB 3.25Å; H73-I76 WeakPolarHBondContact O-CB 3.25Å; H73-I76 PolarHBondContact O-N 3.42Å; L74-I76 PolarHBondContact O-N 3.43Å; I76-T79 PolarHBondContact O-N 2.96Å; I76-T79 PolarHBondContact O-OG1 3.29Å; I76-V84 HydrophobicContact CG2-CG2 4.34Å |
| 77 | H | 69.5 | Low | 74.5 | Confident | 24 Ų | 24 | 73.5 Ų | 73.5 | 11% | 0.111 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 173 | -74.6 | -73.6 | 0 | 0 | 0 | 112.4 | C57 I59 C60 H73 L74 T79 G80 | C57-H77 VanDerWaalsContact SG-CD2 3.56Å; C57-H77 PolarHBondContact SG-NE2 2.97Å; I59-H77 HydrophobicContact CD1-CB 3.73Å; I59-H77 VanDerWaalsContact CG2-CE1 3.46Å; I59-H77 WeakPolarHBondContact CG2-CE1 3.09Å; I59-H77 VanDerWaalsContact CG2-ND1 3.3Å; I59-H77 WeakPolarHBondContact CG2-ND1 3.36Å; C60-H77 PolarHBondContact SG-NE2 3.41Å; H73-H77 AromaticContact CD2-CD2 3.92Å; H73-H77 AromaticContact CE1-CD2 3.66Å; H73-H77 AromaticContact CE1-NE2 3.26Å; H73-H77 PolarHBondContact CE1-NE2 2.94Å; H73-H77 VanDerWaalsContact CE1-NE2 3.26Å; H73-H77 AromaticContact NE2-CD2 3.4Å; H73-H77 PolarHBondContact NE2-CD2 3Å; H73-H77 AromaticContact NE2-NE2 3.15Å; H73-H77 PolarHBondContact NE2-NE2 2.83Å; H73-H77 VanDerWaalsContact NE2-NE2 3.15Å; H73-H77 PolarHBondContact O-N 2.91Å; H73-H77 VanDerWaalsContact O-N 3.17Å; L74-H77 CarbonylContact O-C 3.56Å; L74-H77 WeakPolarHBondContact O-CA 3.41Å; L74-H77 WeakPolarHBondContact O-CB 3.15Å; L74-H77 PolarHBondContact O-N 2.76Å; L74-H77 VanDerWaalsContact O-N 3.07Å; H77-T79 PolarHBondContact O-N 3.38Å; H77-G80 PolarHBondContact O-N 3.04Å |
| 78 | N | 60.9 | Low | 74.4 | Confident | 124 Ų | 124 | 73.1 Ų | 73.1 | 66% | 0.663 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.1 | -20.9 | 177 | -63.3 | -15.7 | 0 | 0 | 0 | 112.9 | L74 G80 | L74-N78 WeakPolarHBondContact O-CB 3.14Å; L74-N78 PolarHBondContact O-N 2.98Å; L74-N78 PolarHBondContact O-ND2 3Å; L74-N78 PolarHBondContact O-OD1 2.78Å; N78-G80 PolarHBondContact O-N 2.96Å |
| 79 | T | 60.5 | Low | 74.1 | Confident | 85 Ų | 85 | 74.1 Ų | 74.1 | 52% | 0.521 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -2.4 | 169.2 | 69.3 | 0 | 0 | 0 | 0 | 113.8 | N75 I76 H77 K81 | N75-T79 WeakPolarHBondContact O-CG2 3.39Å; N75-T79 PolarHBondContact O-N 3.15Å; I76-T79 PolarHBondContact O-N 2.96Å; I76-T79 PolarHBondContact O-OG1 3.29Å; H77-T79 PolarHBondContact O-N 3.38Å; T79-K81 VanDerWaalsContact C-N 3.27Å; T79-K81 PolarHBondContact O-N 3.14Å |
| 80 | G | 63.9 | Low | 74.1 | Confident | 45 Ų | 45 | 71.7 Ų | 71.7 | 46% | 0.464 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 23.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | H77 N78 N93 | H77-G80 PolarHBondContact O-N 3.04Å; N78-G80 PolarHBondContact O-N 2.96Å; G80-N93 WeakPolarHBondContact O-CA 3.43Å; G80-N93 WeakPolarHBondContact O-CB 3.11Å |
| 81 | K | 73.9 | Confident | 73.6 | Confident | 70 Ų | 70 | 72.1 Ų | 72.1 | 30% | 0.304 | 40% | 0.4 | S | S | . | . | trans | -132.7 | 70 | -172.6 | -64.2 | -166.3 | -179.2 | -161.6 | 0 | 113.7 | T79 Y83 F92 N93 | T79-K81 VanDerWaalsContact C-N 3.27Å; T79-K81 PolarHBondContact O-N 3.14Å; K81-Y83 VanDerWaalsContact C-N 3.3Å; K81-Y83 PolarHBondContact O-N 3.19Å; K81-F92 CarbonylContact C-O 3.48Å; K81-F92 WeakPolarHBondContact CA-O 3.35Å; K81-N93 HydrophobicContact CG-CB 4.34Å | ||
| 82 | P | 69.8 | Low | 73.7 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 40% | 0.403 | 39% | 0.386 | S | S | . | . | trans | -69.5 | -20.2 | -175.1 | 27.4 | -33.9 | 0 | 0 | 0 | 114.5 | ||||
| 83 | Y | 76.3 | Confident | 73.8 | Confident | 102 Ų | 102 | 64.1 Ų | 64.1 | 40% | 0.4 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 106.3 | -172.7 | -61.1 | -77 | 0 | 0 | 0 | 112.1 | K81 S91 F92 N93 A95 | K81-Y83 VanDerWaalsContact C-N 3.3Å; K81-Y83 PolarHBondContact O-N 3.19Å; Y83-S91 CarbonylContact O-C 3.51Å; Y83-S91 WeakPolarHBondContact O-CA 3.22Å; Y83-F92 PolarHBondContact N-O 3.36Å; Y83-F92 WeakPolarHBondContact O-CD2 3.49Å; Y83-F92 PolarHBondContact O-N 3.42Å; Y83-N93 WeakPolarHBondContact CD2-O 3.17Å; Y83-N93 WeakPolarHBondContact CE2-O 3.17Å; Y83-A95 HydrophobicContact CD1-CB 4Å; Y83-A95 HydrophobicContact CD2-CB 4.5Å; Y83-A95 HydrophobicContact CE1-CB 3.71Å; Y83-A95 HydrophobicContact CE2-CB 4.24Å; Y83-A95 HydrophobicContact CG-CB 4.38Å |
| 84 | V | 77.3 | Confident | 73.6 | Confident | 63 Ų | 63 | 64.7 Ų | 64.7 | 38% | 0.382 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.4 | -177.8 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | I76 S86 N89 | I76-V84 HydrophobicContact CG2-CG2 4.34Å; V84-S86 PolarHBondContact O-N 2.66Å; V84-N89 HydrophobicContact CG1-CB 4.45Å |
| 85 | C | 79.7 | Confident | 73.6 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | trans | -74.9 | 110.8 | 176.4 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | H87 C88 N89 A90 F92 L98 H101 | C85-H87 PolarHBondContact O-N 3.14Å; C85-C88 PolarHBondContact O-N 3.35Å; C85-C88 VanDerWaalsContact O-N 3.16Å; C85-N89 WeakPolarHBondContact O-CA 3.44Å; C85-N89 PolarHBondContact O-N 3.44Å; C85-A90 HydrophobicContact CB-CB 4.42Å; C85-A90 PolarHBondContact N-O 3.15Å; C85-F92 HydrophobicContact CB-CE2 4.15Å; C85-L98 VanDerWaalsContact CA-CD1 3.46Å; C85-L98 HydrophobicContact CB-CD1 3.56Å; C85-H101 PolarHBondContact SG-CD2 2.96Å; C85-H101 PolarHBondContact SG-NE2 3.32Å; C85-H101 VanDerWaalsContact SG-NE2 3.35Å | ||
| 86 | S | 74.9 | Confident | 73.8 | Confident | 96 Ų | 96 | 64 Ų | 64 | 67% | 0.671 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -14.1 | 176.8 | 58.5 | 0 | 0 | 0 | 0 | 115.5 | V84 | V84-S86 PolarHBondContact O-N 2.66Š|
| 87 | H | 76.3 | Confident | 74.4 | Confident | 119 Ų | 119 | 60.9 Ų | 60.9 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -15.5 | -179.9 | -61.1 | -52.1 | 0 | 0 | 0 | 115 | C85 H106 | C85-H87 PolarHBondContact O-N 3.14Å; H87-H106 HydrophobicContact CB-CB 4.44Å; H87-H106 WeakPolarHBondContact CB-CE1 3.12Å; H87-H106 VanDerWaalsContact CB-ND1 3.3Å; H87-H106 WeakPolarHBondContact CB-ND1 3.34Å; H87-H106 VanDerWaalsContact CD2-CB 3.46Å; H87-H106 WeakPolarHBondContact CD2-CB 3.47Å; H87-H106 AromaticContact CD2-CG 3.55Å; H87-H106 AromaticContact CG-CG 3.86Å; H87-H106 AromaticContact CG-ND1 3.87Å |
| 88 | C | 82.7 | Confident | 75 | Confident | 65 Ų | 65 | 61 Ų | 61 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.5 | 6 | 179.4 | 73 | 0 | 0 | 0 | 0 | 116 | C85 A90 H101 | C85-C88 PolarHBondContact O-N 3.35Å; C85-C88 VanDerWaalsContact O-N 3.16Å; C88-A90 PolarHBondContact O-N 2.87Å; C88-H101 VanDerWaalsContact SG-CE1 3.52Å; C88-H101 PolarHBondContact SG-NE2 3.16Å |
| 89 | N | 76.2 | Confident | 76 | Confident | 132 Ų | 132 | 60.5 Ų | 60.5 | 71% | 0.706 | 34% | 0.341 | S | S | * | . | trans | 57.6 | 20.8 | -177.8 | -63.6 | 8.1 | 0 | 0 | 0 | 115.7 | V84 C85 | V84-N89 HydrophobicContact CG1-CB 4.45Å; C85-N89 WeakPolarHBondContact O-CA 3.44Å; C85-N89 PolarHBondContact O-N 3.44Å | ||
| 90 | A | 78.7 | Confident | 77 | Confident | 33 Ų | 33 | 56.4 Ų | 56.4 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | trans | -69.9 | 129.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | C85 C88 F92 | C85-A90 HydrophobicContact CB-CB 4.42Å; C85-A90 PolarHBondContact N-O 3.15Å; C88-A90 PolarHBondContact O-N 2.87Å; A90-F92 HydrophobicContact CB-CE2 3.77Å; A90-F92 HydrophobicContact CB-CZ 3.75Å; A90-F92 WeakPolarHBondContact O-CD2 3.4Å; A90-F92 VanDerWaalsContact O-CE2 3.23Å; A90-F92 WeakPolarHBondContact O-CE2 3.34Å | ||
| 91 | S | 73.1 | Confident | 77.9 | Confident | 44 Ų | 44 | 55.2 Ų | 55.2 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 145.9 | 177.9 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | Y83 | Y83-S91 CarbonylContact O-C 3.51Å; Y83-S91 WeakPolarHBondContact O-CA 3.22Å |
| 92 | F | 81.5 | Confident | 78.1 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 146.8 | -175.2 | -57.3 | -82.1 | 0 | 0 | 0 | 110.8 | K81 Y83 C85 A90 N97 L98 H101 | K81-F92 CarbonylContact C-O 3.48Å; K81-F92 WeakPolarHBondContact CA-O 3.35Å; Y83-F92 PolarHBondContact N-O 3.36Å; Y83-F92 WeakPolarHBondContact O-CD2 3.49Å; Y83-F92 PolarHBondContact O-N 3.42Å; C85-F92 HydrophobicContact CB-CE2 4.15Å; A90-F92 HydrophobicContact CB-CE2 3.77Å; A90-F92 HydrophobicContact CB-CZ 3.75Å; A90-F92 WeakPolarHBondContact O-CD2 3.4Å; A90-F92 VanDerWaalsContact O-CE2 3.23Å; A90-F92 WeakPolarHBondContact O-CE2 3.34Å; F92-N97 HydrophobicContact CB-CB 4.02Å; F92-N97 HydrophobicContact CD1-CB 3.84Å; F92-N97 HydrophobicContact CG-CB 4.19Å; F92-L98 HydrophobicContact CB-CB 4.28Å; F92-L98 HydrophobicContact CD2-CB 3.77Å; F92-L98 HydrophobicContact CD2-CD1 3.81Å; F92-L98 HydrophobicContact CD2-CG 4.4Å; F92-L98 HydrophobicContact CE2-CD1 3.94Å; F92-L98 HydrophobicContact CG-CB 4.2Å; F92-H101 HydrophobicContact CE1-CB 3.94Å; F92-H101 HydrophobicContact CE2-CB 3.91Å; F92-H101 AromaticContact CE2-CD2 3.92Å; F92-H101 AromaticContact CE2-CG 3.79Å; F92-H101 HydrophobicContact CZ-CB 3.41Å; F92-H101 VanDerWaalsContact CZ-CB 3.41Å; F92-H101 AromaticContact CZ-CD2 3.89Å; F92-H101 AromaticContact CZ-CG 3.32Å; F92-H101 AromaticContact CZ-ND1 3.56Å |
| 93 | N | 78.3 | Confident | 78.6 | Confident | 27 Ų | 27 | 50.9 Ų | 50.9 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -71.8 | -33.1 | 176 | 61.1 | -28.4 | 0 | 0 | 0 | 113 | G80 K81 Y83 N97 D140 | G80-N93 WeakPolarHBondContact O-CA 3.43Å; G80-N93 WeakPolarHBondContact O-CB 3.11Å; K81-N93 HydrophobicContact CG-CB 4.34Å; Y83-N93 WeakPolarHBondContact CD2-O 3.17Å; Y83-N93 WeakPolarHBondContact CE2-O 3.17Å; N93-N97 PolarHBondContact OD1-ND2 3.02Å; N93-D140 VanDerWaalsContact ND2-C 3.32Å; N93-D140 PolarHBondContact ND2-O 2.88Å |
| 94 | Q | 76.4 | Confident | 78.6 | Confident | 40 Ų | 40 | 46.4 Ų | 46.4 | 19% | 0.187 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -126.5 | 147.8 | -174.4 | -71.4 | -179.5 | -10.7 | 0 | 0 | 111.4 | E96 N97 L98 | Q94-E96 VanDerWaalsContact C-N 3.25Å; Q94-E96 WeakPolarHBondContact CB-OE2 3.22Å; Q94-E96 PolarHBondContact O-N 3.14Å; Q94-N97 PolarHBondContact O-N 3.33Å; Q94-L98 PolarHBondContact O-N 3.27Å |
| 95 | A | 76.4 | Confident | 78.6 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 33% | 0.331 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.5 | -33.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y83 N97 L98 Y99 | Y83-A95 HydrophobicContact CD1-CB 4Å; Y83-A95 HydrophobicContact CD2-CB 4.5Å; Y83-A95 HydrophobicContact CE1-CB 3.71Å; Y83-A95 HydrophobicContact CE2-CB 4.24Å; Y83-A95 HydrophobicContact CG-CB 4.38Å; A95-N97 VanDerWaalsContact C-N 3.35Å; A95-N97 PolarHBondContact O-N 3.23Å; A95-L98 WeakPolarHBondContact O-CB 3.4Å; A95-L98 PolarHBondContact O-N 3.01Å; A95-Y99 WeakPolarHBondContact O-CB 3.41Å; A95-Y99 PolarHBondContact O-N 2.65Å |
| 96 | E | 76 | Confident | 78.3 | Confident | 91 Ų | 91 | 52.4 Ų | 52.4 | 43% | 0.425 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 176.1 | -63.4 | 80.4 | 178.4 | 0 | 0 | 111.1 | Q94 Y99 V100 L119 | Q94-E96 VanDerWaalsContact C-N 3.25Å; Q94-E96 WeakPolarHBondContact CB-OE2 3.22Å; Q94-E96 PolarHBondContact O-N 3.14Å; E96-Y99 PolarHBondContact O-N 3.33Å; E96-V100 WeakPolarHBondContact O-CB 3.48Å; E96-V100 VanDerWaalsContact O-CG2 3.23Å; E96-V100 WeakPolarHBondContact O-CG2 3.48Å; E96-V100 PolarHBondContact O-N 3.31Å; E96-L119 HydrophobicContact CB-CD1 4.19Å; E96-L119 HydrophobicContact CB-CD2 4.16Å; E96-L119 HydrophobicContact CG-CD2 3.86Å |
| 97 | N | 80 | Confident | 78.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67 | -40.7 | 177.4 | -71.7 | -29.5 | 0 | 0 | 0 | 111.4 | F92 N93 Q94 A95 V100 H101 H137 Q138 I139 | F92-N97 HydrophobicContact CB-CB 4.02Å; F92-N97 HydrophobicContact CD1-CB 3.84Å; F92-N97 HydrophobicContact CG-CB 4.19Å; N93-N97 PolarHBondContact OD1-ND2 3.02Å; Q94-N97 PolarHBondContact O-N 3.33Å; A95-N97 VanDerWaalsContact C-N 3.35Å; A95-N97 PolarHBondContact O-N 3.23Å; N97-V100 PolarHBondContact O-N 3Å; N97-H101 VanDerWaalsContact O-CB 3.3Å; N97-H101 WeakPolarHBondContact O-CB 3.44Å; N97-H101 PolarHBondContact O-N 3.05Å; N97-H137 PolarHBondContact OD1-O 3.19Å; N97-Q138 WeakPolarHBondContact OD1-CA 3.27Å; N97-I139 VanDerWaalsContact ND2-C 3.33Å; N97-I139 PolarHBondContact ND2-O 2.83Å; N97-I139 PolarHBondContact OD1-N 2.83Å |
| 98 | L | 81.9 | Confident | 76.8 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 171 | 171.7 | 59.3 | 0 | 0 | 0 | 111.2 | C85 F92 Q94 A95 H101 I102 | C85-L98 VanDerWaalsContact CA-CD1 3.46Å; C85-L98 HydrophobicContact CB-CD1 3.56Å; F92-L98 HydrophobicContact CB-CB 4.28Å; F92-L98 HydrophobicContact CD2-CB 3.77Å; F92-L98 HydrophobicContact CD2-CD1 3.81Å; F92-L98 HydrophobicContact CD2-CG 4.4Å; F92-L98 HydrophobicContact CE2-CD1 3.94Å; F92-L98 HydrophobicContact CG-CB 4.2Å; Q94-L98 PolarHBondContact O-N 3.27Å; A95-L98 WeakPolarHBondContact O-CB 3.4Å; A95-L98 PolarHBondContact O-N 3.01Å; L98-H101 WeakPolarHBondContact O-CB 3.49Å; L98-H101 PolarHBondContact O-N 3.33Å; L98-I102 HydrophobicContact CD1-CD1 3.72Å; L98-I102 HydrophobicContact CD1-CG1 4.03Å; L98-I102 HydrophobicContact CG-CD1 3.91Å; L98-I102 WeakPolarHBondContact O-CG1 3.43Å; L98-I102 PolarHBondContact O-N 2.97Å |
| 99 | Y | 81.5 | Confident | 75 | Confident | 112 Ų | 112 | 51.7 Ų | 51.7 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 179.3 | -167 | -75.9 | 0 | 0 | 0 | 112.2 | A95 E96 H101 I102 S103 C118 | A95-Y99 WeakPolarHBondContact O-CB 3.41Å; A95-Y99 PolarHBondContact O-N 2.65Å; E96-Y99 PolarHBondContact O-N 3.33Å; Y99-H101 VanDerWaalsContact C-N 3.32Å; Y99-H101 PolarHBondContact O-N 3.3Å; Y99-I102 PolarHBondContact O-N 3.31Å; Y99-S103 VanDerWaalsContact CD1-OG 3.3Å; Y99-S103 WeakPolarHBondContact CD1-OG 3.46Å; Y99-S103 WeakPolarHBondContact CE1-OG 3.35Å; Y99-S103 VanDerWaalsContact O-CB 3.23Å; Y99-S103 WeakPolarHBondContact O-CB 3.41Å; Y99-S103 PolarHBondContact O-N 3.31Å; Y99-S103 PolarHBondContact O-OG 2.8Å; Y99-C118 WeakPolarHBondContact CD1-SG 3.45Å; Y99-C118 HydrophobicContact CE1-CB 4.23Å; Y99-C118 WeakPolarHBondContact CE1-SG 3.5Å |
| 100 | V | 81.8 | Confident | 73.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 173.9 | 165.7 | 0 | 0 | 0 | 0 | 110.3 | E96 N97 S103 L104 L119 L134 H137 Q138 | E96-V100 WeakPolarHBondContact O-CB 3.48Å; E96-V100 VanDerWaalsContact O-CG2 3.23Å; E96-V100 WeakPolarHBondContact O-CG2 3.48Å; E96-V100 PolarHBondContact O-N 3.31Å; N97-V100 PolarHBondContact O-N 3Å; V100-S103 PolarHBondContact O-N 3.37Å; V100-L104 HydrophobicContact CG1-CD1 3.62Å; V100-L104 HydrophobicContact CG1-CG 4.23Å; V100-L104 VanDerWaalsContact O-CB 3.24Å; V100-L104 WeakPolarHBondContact O-CB 3.2Å; V100-L104 WeakPolarHBondContact O-CG 3.5Å; V100-L104 PolarHBondContact O-N 3.36Å; V100-L119 HydrophobicContact CG2-CD1 3.52Å; V100-L134 HydrophobicContact CG1-CB 4.26Å; V100-L134 WeakPolarHBondContact CG1-O 3.1Å; V100-L134 HydrophobicContact CG2-CD2 4.27Å; V100-H137 HydrophobicContact CG2-CB 3.78Å; V100-Q138 HydrophobicContact CB-CG 4.48Å; V100-Q138 HydrophobicContact CG1-CG 3.5Å |
| 101 | H | 82.7 | Confident | 72.6 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 9% | 0.088 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.1 | -50.9 | 175.1 | 170 | 88.6 | 0 | 0 | 0 | 111.9 | C85 C88 F92 N97 L98 Y99 S103 L104 Y105 H106 | C85-H101 PolarHBondContact SG-CD2 2.96Å; C85-H101 PolarHBondContact SG-NE2 3.32Å; C85-H101 VanDerWaalsContact SG-NE2 3.35Å; C88-H101 VanDerWaalsContact SG-CE1 3.52Å; C88-H101 PolarHBondContact SG-NE2 3.16Å; F92-H101 HydrophobicContact CE1-CB 3.94Å; F92-H101 HydrophobicContact CE2-CB 3.91Å; F92-H101 AromaticContact CE2-CD2 3.92Å; F92-H101 AromaticContact CE2-CG 3.79Å; F92-H101 HydrophobicContact CZ-CB 3.41Å; F92-H101 VanDerWaalsContact CZ-CB 3.41Å; F92-H101 AromaticContact CZ-CD2 3.89Å; F92-H101 AromaticContact CZ-CG 3.32Å; F92-H101 AromaticContact CZ-ND1 3.56Å; N97-H101 VanDerWaalsContact O-CB 3.3Å; N97-H101 WeakPolarHBondContact O-CB 3.44Å; N97-H101 PolarHBondContact O-N 3.05Å; L98-H101 WeakPolarHBondContact O-CB 3.49Å; L98-H101 PolarHBondContact O-N 3.33Å; Y99-H101 VanDerWaalsContact C-N 3.32Å; Y99-H101 PolarHBondContact O-N 3.3Å; H101-S103 PolarHBondContact O-N 3.23Å; H101-L104 PolarHBondContact O-N 3.49Å; H101-L104 VanDerWaalsContact O-N 3.12Å; H101-Y105 AromaticContact CE1-CD2 3.96Å; H101-Y105 AromaticContact ND1-CD2 3.53Å; H101-Y105 WeakPolarHBondContact O-CB 3.49Å; H101-Y105 WeakPolarHBondContact O-CD2 3.38Å; H101-Y105 PolarHBondContact O-N 3.15Å; H101-H106 AromaticContact CD2-CD2 3.9Å; H101-H106 AromaticContact NE2-CD2 3.52Å; H101-H106 AromaticContact NE2-NE2 3.26Å; H101-H106 PolarHBondContact NE2-NE2 3.09Å |
| 102 | I | 78.6 | Confident | 71.8 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 20% | 0.2 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55 | -44.3 | 174.8 | -72.3 | 170.1 | 0 | 0 | 0 | 110.2 | L98 Y99 L104 H106 T107 | L98-I102 HydrophobicContact CD1-CD1 3.72Å; L98-I102 HydrophobicContact CD1-CG1 4.03Å; L98-I102 HydrophobicContact CG-CD1 3.91Å; L98-I102 WeakPolarHBondContact O-CG1 3.43Å; L98-I102 PolarHBondContact O-N 2.97Å; Y99-I102 PolarHBondContact O-N 3.31Å; I102-L104 PolarHBondContact O-N 3.05Å; I102-H106 HydrophobicContact CG2-CB 4.46Å; I102-H106 CarbonylContact O-C 3.54Å; I102-H106 WeakPolarHBondContact O-CA 3.34Å; I102-H106 WeakPolarHBondContact O-CB 3.22Å; I102-H106 PolarHBondContact O-N 3.1Å; I102-T107 HydrophobicContact CG2-CG2 3.84Å; I102-T107 PolarHBondContact O-N 3.45Å |
| 103 | S | 79.9 | Confident | 71.4 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.014 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.3 | -33.4 | 178.7 | -65 | 0 | 0 | 0 | 0 | 114.3 | Y99 V100 H101 T107 | Y99-S103 VanDerWaalsContact CD1-OG 3.3Å; Y99-S103 WeakPolarHBondContact CD1-OG 3.46Å; Y99-S103 WeakPolarHBondContact CE1-OG 3.35Å; Y99-S103 VanDerWaalsContact O-CB 3.23Å; Y99-S103 WeakPolarHBondContact O-CB 3.41Å; Y99-S103 PolarHBondContact O-N 3.31Å; Y99-S103 PolarHBondContact O-OG 2.8Å; V100-S103 PolarHBondContact O-N 3.37Å; H101-S103 PolarHBondContact O-N 3.23Å; S103-T107 VanDerWaalsContact CA-OG1 3.31Å; S103-T107 WeakPolarHBondContact CA-OG1 3.32Å; S103-T107 PolarHBondContact O-OG1 2.75Å |
| 104 | L | 76.9 | Confident | 71.4 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -84 | -28.6 | -177 | -80.5 | 174.7 | 0 | 0 | 0 | 114.2 | V100 H101 I102 K131 L134 L135 | V100-L104 HydrophobicContact CG1-CD1 3.62Å; V100-L104 HydrophobicContact CG1-CG 4.23Å; V100-L104 VanDerWaalsContact O-CB 3.24Å; V100-L104 WeakPolarHBondContact O-CB 3.2Å; V100-L104 WeakPolarHBondContact O-CG 3.5Å; V100-L104 PolarHBondContact O-N 3.36Å; H101-L104 PolarHBondContact O-N 3.49Å; H101-L104 VanDerWaalsContact O-N 3.12Å; I102-L104 PolarHBondContact O-N 3.05Å; L104-K131 HydrophobicContact CD2-CB 4.29Å; L104-K131 HydrophobicContact CD2-CD 4Å; L104-K131 HydrophobicContact CD2-CG 3.65Å; L104-K131 PolarHBondContact O-NZ 3.33Å; L104-L134 HydrophobicContact CD1-CB 4.33Å; L104-L134 HydrophobicContact CD2-CB 3.75Å; L104-L134 HydrophobicContact CD2-CD1 3.89Å; L104-L134 HydrophobicContact CG-CB 3.94Å; L104-L134 HydrophobicContact CG-CD1 3.96Å; L104-L135 HydrophobicContact CD1-CD2 3.72Å; L104-L135 HydrophobicContact CD1-CG 4.18Å; L104-L135 HydrophobicContact CD2-CG 4.37Å |
| 105 | Y | 76.5 | Confident | 71.7 | Confident | 132 Ų | 132 | 68.8 Ų | 68.8 | 52% | 0.518 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -126.3 | -23.8 | -166.4 | -63.4 | -78.6 | 0 | 0 | 0 | 114.6 | H101 | H101-Y105 AromaticContact CE1-CD2 3.96Å; H101-Y105 AromaticContact ND1-CD2 3.53Å; H101-Y105 WeakPolarHBondContact O-CB 3.49Å; H101-Y105 WeakPolarHBondContact O-CD2 3.38Å; H101-Y105 PolarHBondContact O-N 3.15Å |
| 106 | H | 73.9 | Confident | 71.9 | Confident | 58 Ų | 58 | 70 Ų | 70 | 27% | 0.269 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -35.6 | -172.8 | -62.3 | -65.1 | 0 | 0 | 0 | 114.5 | H87 H101 I102 M108 | H87-H106 HydrophobicContact CB-CB 4.44Å; H87-H106 WeakPolarHBondContact CB-CE1 3.12Å; H87-H106 VanDerWaalsContact CB-ND1 3.3Å; H87-H106 WeakPolarHBondContact CB-ND1 3.34Å; H87-H106 VanDerWaalsContact CD2-CB 3.46Å; H87-H106 WeakPolarHBondContact CD2-CB 3.47Å; H87-H106 AromaticContact CD2-CG 3.55Å; H87-H106 AromaticContact CG-CG 3.86Å; H87-H106 AromaticContact CG-ND1 3.87Å; H101-H106 AromaticContact CD2-CD2 3.9Å; H101-H106 AromaticContact NE2-CD2 3.52Å; H101-H106 AromaticContact NE2-NE2 3.26Å; H101-H106 PolarHBondContact NE2-NE2 3.09Å; I102-H106 HydrophobicContact CG2-CB 4.46Å; I102-H106 CarbonylContact O-C 3.54Å; I102-H106 WeakPolarHBondContact O-CA 3.34Å; I102-H106 WeakPolarHBondContact O-CB 3.22Å; I102-H106 PolarHBondContact O-N 3.1Å; H106-M108 PolarHBondContact O-N 3.49Å |
| 107 | T | 72.3 | Confident | 72 | Confident | 51 Ų | 51 | 65.7 Ų | 65.7 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | trans | -76 | 96.9 | 175.1 | 66.6 | 0 | 0 | 0 | 0 | 111.7 | I102 S103 C109 | I102-T107 HydrophobicContact CG2-CG2 3.84Å; I102-T107 PolarHBondContact O-N 3.45Å; S103-T107 VanDerWaalsContact CA-OG1 3.31Å; S103-T107 WeakPolarHBondContact CA-OG1 3.32Å; S103-T107 PolarHBondContact O-OG1 2.75Å; T107-C109 PolarHBondContact O-N 3.47Å | ||
| 108 | M | 47.9 | Very low | 71.5 | Confident | 158 Ų | 158 | 68.4 Ų | 68.4 | 78% | 0.778 | 34% | 0.339 | S | S | * | . | trans | -79.2 | 56.5 | 175.9 | -70.1 | -80.4 | -84.7 | 0 | 0 | 112.4 | H106 E110 | H106-M108 PolarHBondContact O-N 3.49Å; M108-E110 PolarHBondContact O-N 3.46Å | ||
| 109 | C | 44.6 | Very low | 70.9 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 37% | 0.372 | 35% | 0.345 | S | S | . | . | trans | -78.5 | 55.3 | 178.4 | -75.6 | 0 | 0 | 0 | 0 | 113.4 | T107 N111 Y115 | T107-C109 PolarHBondContact O-N 3.47Å; C109-N111 PolarHBondContact O-N 3.19Å; C109-N111 VanDerWaalsContact O-N 3.1Å; C109-Y115 WeakPolarHBondContact O-CE1 3.28Å; C109-Y115 PolarHBondContact O-OH 3.39Å | ||
| 110 | E | 51.6 | Low | 70.9 | Confident | 149 Ų | 149 | 66.3 Ų | 66.3 | 70% | 0.696 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -1.9 | 179.1 | -73.2 | -161 | 143.2 | 0 | 0 | 114.7 | M108 | M108-E110 PolarHBondContact O-N 3.46Š|
| 111 | N | 53 | Low | 70.6 | Confident | 141 Ų | 141 | 71.9 Ų | 71.9 | 75% | 0.754 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | 8.5 | -171.3 | -77.2 | -19 | 0 | 0 | 0 | 116.1 | C109 | C109-N111 PolarHBondContact O-N 3.19Å; C109-N111 VanDerWaalsContact O-N 3.1Å |
| 112 | Q | 56.3 | Low | 70.5 | Confident | 108 Ų | 108 | 77 Ų | 77 | 51% | 0.505 | 39% | 0.39 | S | S | . | . | trans | -87.2 | 132.6 | 171.3 | -66.2 | -178.1 | -10.9 | 0 | 0 | 110.6 | H114 | Q112-H114 WeakPolarHBondContact CB-O 3.23Å; Q112-H114 PolarHBondContact O-N 3.07Å | ||
| 113 | D | 72.8 | Confident | 70.6 | Confident | 129 Ų | 129 | 84.3 Ų | 84.3 | 69% | 0.69 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -63.9 | -22.1 | 175.4 | -81.1 | -42.2 | 0 | 0 | 0 | 112.4 | ||
| 114 | H | 77.6 | Confident | 70.9 | Confident | 99 Ų | 99 | 86.1 Ų | 86.1 | 46% | 0.458 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -141.9 | 136.1 | -178.3 | -46.1 | 83.3 | 0 | 0 | 0 | 108.8 | Q112 | Q112-H114 WeakPolarHBondContact CB-O 3.23Å; Q112-H114 PolarHBondContact O-N 3.07Å |
| 115 | Y | 83.5 | Confident | 71.1 | Confident | 25 Ų | 25 | 92.2 Ų | 92.2 | 10% | 0.098 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 116.3 | 176.1 | -62.6 | -97.6 | 0 | 0 | 0 | 109 | C109 R123 F124 F127 Y130 | C109-Y115 WeakPolarHBondContact O-CE1 3.28Å; C109-Y115 PolarHBondContact O-OH 3.39Å; Y115-R123 CarbonylContact O-C 3.59Å; Y115-F124 PolarHBondContact N-O 3.39Å; Y115-F124 PolarHBondContact O-N 3.47Å; Y115-F127 AromaticContact CD1-CD2 3.89Å; Y115-F127 HydrophobicContact CD1-CD2 3.89Å; Y115-F127 HydrophobicContact CE1-CB 4.1Å; Y115-F127 AromaticContact CE1-CD2 3.49Å; Y115-F127 HydrophobicContact CE1-CD2 3.49Å; Y115-F127 VanDerWaalsContact CE1-CD2 3.49Å; Y115-F127 HydrophobicContact CE1-CE2 4.37Å; Y115-F127 HydrophobicContact CE1-CG 4.22Å; Y115-F127 HydrophobicContact CE2-CB 3.99Å; Y115-Y130 AromaticContact CD1-CD1 3.83Å; Y115-Y130 HydrophobicContact CD1-CD1 3.83Å; Y115-Y130 HydrophobicContact CD1-CE1 4.18Å; Y115-Y130 HydrophobicContact CD1-CG 4.29Å; Y115-Y130 HydrophobicContact CG-CD1 4.15Å; Y115-Y130 HydrophobicContact CG-CG 4.12Å |
| 116 | N | 80 | Confident | 71.3 | Confident | 66 Ų | 66 | 95 Ų | 95 | 35% | 0.353 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.6 | 177.3 | -59.8 | -6 | 0 | 0 | 0 | 109.4 | R123 Y130 | N116-R123 WeakPolarHBondContact OD1-CD 3.11Å; N116-R123 WeakPolarHBondContact OD1-CG 3.02Å; N116-Y130 WeakPolarHBondContact O-CE2 3.5Å |
| 117 | C | 78 | Confident | 71.7 | Confident | 0 Ų | 0 | 95.8 Ų | 95.8 | 0% | 0 | 47% | 0.467 | C | S | . | . | trans | -84 | 112.7 | 168.3 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | L119 C120 D121 K122 F124 Y130 H133 H137 | C117-L119 PolarHBondContact O-N 2.93Å; C117-L119 VanDerWaalsContact O-N 3.15Å; C117-C120 PolarHBondContact O-N 3.29Å; C117-D121 WeakPolarHBondContact O-CA 3.47Å; C117-D121 PolarHBondContact O-N 3.33Å; C117-K122 PolarHBondContact N-O 3.44Å; C117-F124 HydrophobicContact CB-CE2 4.37Å; C117-Y130 HydrophobicContact CB-CE2 4.18Å; C117-H133 VanDerWaalsContact CB-NE2 3.34Å; C117-H133 WeakPolarHBondContact CB-NE2 3.35Å; C117-H133 PolarHBondContact SG-NE2 3.38Å; C117-H133 VanDerWaalsContact SG-NE2 3.36Å; C117-H137 PolarHBondContact SG-NE2 3.34Å | ||
| 118 | C | 70.9 | Confident | 72 | Confident | 57 Ų | 57 | 98.4 Ų | 98.4 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -23.1 | 176.8 | 59.7 | 0 | 0 | 0 | 0 | 114.6 | Y99 | Y99-C118 WeakPolarHBondContact CD1-SG 3.45Å; Y99-C118 HydrophobicContact CE1-CB 4.23Å; Y99-C118 WeakPolarHBondContact CE1-SG 3.5Å |
| 119 | L | 69 | Low | 73.7 | Confident | 54 Ų | 54 | 92.7 Ų | 92.7 | 28% | 0.283 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -9.3 | -177.3 | -59.2 | -179.3 | 0 | 0 | 0 | 113.6 | E96 V100 C117 H137 | E96-L119 HydrophobicContact CB-CD1 4.19Å; E96-L119 HydrophobicContact CB-CD2 4.16Å; E96-L119 HydrophobicContact CG-CD2 3.86Å; V100-L119 HydrophobicContact CG2-CD1 3.52Å; C117-L119 PolarHBondContact O-N 2.93Å; C117-L119 VanDerWaalsContact O-N 3.15Å; L119-H137 HydrophobicContact CD1-CB 3.67Å; L119-H137 PolarHBondContact O-CE1 3.22Å; L119-H137 VanDerWaalsContact O-CE1 3.31Å |
| 120 | C | 81.6 | Confident | 75.7 | Confident | 42 Ų | 42 | 90.9 Ų | 90.9 | 28% | 0.284 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -160.3 | 16.7 | 177.9 | 64.9 | 0 | 0 | 0 | 0 | 114.5 | C117 K122 H133 H137 | C117-C120 PolarHBondContact O-N 3.29Å; C120-K122 PolarHBondContact O-N 3.3Å; C120-H133 PolarHBondContact SG-CE1 2.62Å; C120-H133 PolarHBondContact SG-NE2 3.03Å; C120-H137 VanDerWaalsContact CB-CE1 3.46Å; C120-H137 WeakPolarHBondContact CB-CE1 3.4Å; C120-H137 PolarHBondContact SG-NE2 3.02Å |
| 121 | D | 75.3 | Confident | 77.1 | Confident | 118 Ų | 118 | 86.7 Ų | 86.7 | 63% | 0.631 | 43% | 0.426 | S | S | * | . | trans | 47.1 | 12.5 | -175.7 | -69 | -49.8 | 0 | 0 | 0 | 118.5 | C117 R123 | C117-D121 WeakPolarHBondContact O-CA 3.47Å; C117-D121 PolarHBondContact O-N 3.33Å; D121-R123 PolarHBondContact O-N 3.35Å | ||
| 122 | K | 80.6 | Confident | 78 | Confident | 125 Ų | 125 | 83.3 Ų | 83.3 | 54% | 0.543 | 41% | 0.413 | S | S | . | . | trans | -64.5 | 124 | 178.5 | -73.6 | 174.2 | -172.5 | 164.2 | 0 | 110.5 | C117 C120 F124 | C117-K122 PolarHBondContact N-O 3.44Å; C120-K122 PolarHBondContact O-N 3.3Å; K122-F124 HydrophobicContact CB-CE2 3.58Å; K122-F124 HydrophobicContact CB-CZ 3.85Å; K122-F124 WeakPolarHBondContact O-CD2 3.42Å; K122-F124 WeakPolarHBondContact O-CE2 3.46Å | ||
| 123 | R | 79.7 | Confident | 79.3 | Confident | 193 Ų | 193 | 79.1 Ų | 79.1 | 73% | 0.728 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 132.4 | 180 | -50.2 | -159.2 | 174 | 168.8 | -2.5 | 111.7 | Y115 N116 D121 | Y115-R123 CarbonylContact O-C 3.59Å; N116-R123 WeakPolarHBondContact OD1-CD 3.11Å; N116-R123 WeakPolarHBondContact OD1-CG 3.02Å; D121-R123 PolarHBondContact O-N 3.35Å |
| 124 | F | 86.6 | Confident | 79.7 | Confident | 41 Ų | 41 | 73 Ų | 73 | 18% | 0.18 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 124.9 | -177.4 | -62.3 | -90.4 | 0 | 0 | 0 | 111.6 | Y115 C117 K122 R126 A129 Y130 H133 | Y115-F124 PolarHBondContact N-O 3.39Å; Y115-F124 PolarHBondContact O-N 3.47Å; C117-F124 HydrophobicContact CB-CE2 4.37Å; K122-F124 HydrophobicContact CB-CE2 3.58Å; K122-F124 HydrophobicContact CB-CZ 3.85Å; K122-F124 WeakPolarHBondContact O-CD2 3.42Å; K122-F124 WeakPolarHBondContact O-CE2 3.46Å; F124-R126 PolarHBondContact O-N 3.02Å; F124-A129 HydrophobicContact CD1-CB 3.96Å; F124-Y130 AromaticContact CD2-CD2 3.91Å; F124-Y130 HydrophobicContact CD2-CD2 3.91Å; F124-H133 HydrophobicContact CE1-CB 3.88Å; F124-H133 HydrophobicContact CE2-CB 4.08Å; F124-H133 AromaticContact CE2-CD2 3.15Å; F124-H133 WeakPolarHBondContact CE2-CD2 3.16Å; F124-H133 AromaticContact CE2-CG 3.68Å; F124-H133 AromaticContact CE2-NE2 3.78Å; F124-H133 HydrophobicContact CZ-CB 3.52Å; F124-H133 AromaticContact CZ-CD2 3.26Å; F124-H133 WeakPolarHBondContact CZ-CD2 3.05Å; F124-H133 AromaticContact CZ-CG 3.25Å; F124-H133 AromaticContact CZ-ND1 3.92Å; F124-H133 AromaticContact CZ-NE2 3.88Å |
| 125 | L | 81.1 | Confident | 79.6 | Confident | 135 Ų | 135 | 72.1 Ų | 72.1 | 71% | 0.707 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -75 | -2.5 | 177.8 | -71.3 | 165.4 | 0 | 0 | 0 | 114.6 | ||
| 126 | R | 80.6 | Confident | 79.3 | Confident | 190 Ų | 190 | 77.3 Ų | 77.3 | 72% | 0.717 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -145.8 | 126.6 | -176.8 | -66.6 | -175.3 | -179.3 | 164.5 | 3 | 110.7 | F124 T128 A129 Y130 | F124-R126 PolarHBondContact O-N 3.02Å; R126-T128 PolarHBondContact O-N 3.31Å; R126-T128 VanDerWaalsContact O-N 3.1Å; R126-A129 HydrophobicContact CB-CB 4.48Å; R126-A129 WeakPolarHBondContact O-CB 2.92Å; R126-A129 PolarHBondContact O-N 3.33Å; R126-Y130 PolarHBondContact O-N 3.38Å; R126-Y130 VanDerWaalsContact O-N 3.11Å |
| 127 | F | 83.5 | Confident | 79 | Confident | 75 Ų | 75 | 76.4 Ų | 76.4 | 33% | 0.329 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -51.7 | -34.9 | 176 | -175.9 | -112.7 | 0 | 0 | 0 | 113.6 | Y115 A129 Y130 K131 | Y115-F127 AromaticContact CD1-CD2 3.89Å; Y115-F127 HydrophobicContact CD1-CD2 3.89Å; Y115-F127 HydrophobicContact CE1-CB 4.1Å; Y115-F127 AromaticContact CE1-CD2 3.49Å; Y115-F127 HydrophobicContact CE1-CD2 3.49Å; Y115-F127 VanDerWaalsContact CE1-CD2 3.49Å; Y115-F127 HydrophobicContact CE1-CE2 4.37Å; Y115-F127 HydrophobicContact CE1-CG 4.22Å; Y115-F127 HydrophobicContact CE2-CB 3.99Å; F127-A129 VanDerWaalsContact C-N 3.3Å; F127-A129 PolarHBondContact O-N 3.49Å; F127-Y130 AromaticContact CD2-CD1 3.96Å; F127-Y130 HydrophobicContact CD2-CD1 3.96Å; F127-Y130 HydrophobicContact CE2-CD1 4.09Å; F127-Y130 PolarHBondContact O-N 2.93Å; F127-K131 HydrophobicContact CE1-CD 4.2Å; F127-K131 HydrophobicContact CZ-CD 4.35Å; F127-K131 VanDerWaalsContact O-CB 3.23Å; F127-K131 WeakPolarHBondContact O-CB 3.37Å; F127-K131 PolarHBondContact O-N 3.08Å |
| 128 | T | 77.9 | Confident | 78.4 | Confident | 107 Ų | 107 | 79.5 Ų | 79.5 | 66% | 0.656 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.7 | -31.9 | 177.1 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | R126 S132 | R126-T128 PolarHBondContact O-N 3.31Å; R126-T128 VanDerWaalsContact O-N 3.1Å; T128-S132 PolarHBondContact O-N 3.27Å; T128-S132 PolarHBondContact O-OG 3.47Å |
| 129 | A | 82.7 | Confident | 77.6 | Confident | 38 Ų | 38 | 79.4 Ų | 79.4 | 31% | 0.314 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -78.4 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F124 R126 F127 S132 H133 | F124-A129 HydrophobicContact CD1-CB 3.96Å; R126-A129 HydrophobicContact CB-CB 4.48Å; R126-A129 WeakPolarHBondContact O-CB 2.92Å; R126-A129 PolarHBondContact O-N 3.33Å; F127-A129 VanDerWaalsContact C-N 3.3Å; F127-A129 PolarHBondContact O-N 3.49Å; A129-S132 WeakPolarHBondContact CA-OG 3.41Å; A129-S132 PolarHBondContact O-N 3.04Å; A129-S132 PolarHBondContact O-OG 3.32Å; A129-H133 WeakPolarHBondContact O-CB 3.47Å; A129-H133 PolarHBondContact O-N 3.32Å |
| 130 | Y | 87.4 | Confident | 76.5 | Confident | 17 Ų | 17 | 80.5 Ų | 80.5 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -54.7 | -50.3 | 170.4 | 178.9 | -117.1 | 0 | 0 | 0 | 111.7 | Y115 N116 C117 F124 R126 F127 S132 H133 L134 | Y115-Y130 AromaticContact CD1-CD1 3.83Å; Y115-Y130 HydrophobicContact CD1-CD1 3.83Å; Y115-Y130 HydrophobicContact CD1-CE1 4.18Å; Y115-Y130 HydrophobicContact CD1-CG 4.29Å; Y115-Y130 HydrophobicContact CG-CD1 4.15Å; Y115-Y130 HydrophobicContact CG-CG 4.12Å; N116-Y130 WeakPolarHBondContact O-CE2 3.5Å; C117-Y130 HydrophobicContact CB-CE2 4.18Å; F124-Y130 AromaticContact CD2-CD2 3.91Å; F124-Y130 HydrophobicContact CD2-CD2 3.91Å; R126-Y130 PolarHBondContact O-N 3.38Å; R126-Y130 VanDerWaalsContact O-N 3.11Å; F127-Y130 AromaticContact CD2-CD1 3.96Å; F127-Y130 HydrophobicContact CD2-CD1 3.96Å; F127-Y130 HydrophobicContact CE2-CD1 4.09Å; F127-Y130 PolarHBondContact O-N 2.93Å; Y130-S132 PolarHBondContact O-N 3.5Å; Y130-H133 CarbonylContact O-C 3.54Å; Y130-H133 WeakPolarHBondContact O-CA 3.43Å; Y130-H133 WeakPolarHBondContact O-CB 3.3Å; Y130-H133 PolarHBondContact O-N 2.73Å; Y130-L134 HydrophobicContact CD1-CD1 4Å; Y130-L134 HydrophobicContact CD2-CG 4.42Å; Y130-L134 HydrophobicContact CE1-CD1 3.45Å; Y130-L134 VanDerWaalsContact CE1-CD1 3.45Å; Y130-L134 HydrophobicContact CE1-CG 4.23Å; Y130-L134 HydrophobicContact CE2-CD1 4.13Å; Y130-L134 HydrophobicContact CE2-CD2 4.25Å; Y130-L134 HydrophobicContact CE2-CG 4.05Å; Y130-L134 PolarHBondContact O-N 3.21Å |
| 131 | K | 80.9 | Confident | 74.9 | Confident | 61 Ų | 61 | 86.3 Ų | 86.3 | 27% | 0.265 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 176.1 | 179.9 | 142.4 | -168.2 | 148.6 | 0 | 112.7 | L104 F127 H133 L135 | L104-K131 HydrophobicContact CD2-CB 4.29Å; L104-K131 HydrophobicContact CD2-CD 4Å; L104-K131 HydrophobicContact CD2-CG 3.65Å; L104-K131 PolarHBondContact O-NZ 3.33Å; F127-K131 HydrophobicContact CE1-CD 4.2Å; F127-K131 HydrophobicContact CZ-CD 4.35Å; F127-K131 VanDerWaalsContact O-CB 3.23Å; F127-K131 WeakPolarHBondContact O-CB 3.37Å; F127-K131 PolarHBondContact O-N 3.08Å; K131-H133 PolarHBondContact O-N 3.3Å; K131-L135 VanDerWaalsContact O-CG 3.3Å; K131-L135 WeakPolarHBondContact O-CG 3.46Å; K131-L135 PolarHBondContact O-N 3.02Å |
| 132 | S | 73 | Confident | 74.3 | Confident | 70 Ų | 70 | 85 Ų | 85 | 49% | 0.49 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.1 | -19.3 | 174.8 | 55.7 | 0 | 0 | 0 | 0 | 114 | T128 A129 Y130 | T128-S132 PolarHBondContact O-N 3.27Å; T128-S132 PolarHBondContact O-OG 3.47Å; A129-S132 WeakPolarHBondContact CA-OG 3.41Å; A129-S132 PolarHBondContact O-N 3.04Å; A129-S132 PolarHBondContact O-OG 3.32Å; Y130-S132 PolarHBondContact O-N 3.5Å |
| 133 | H | 82.7 | Confident | 73.7 | Confident | 20 Ų | 20 | 81.5 Ų | 81.5 | 9% | 0.093 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -88.9 | -41.2 | 177.3 | 167 | 61.3 | 0 | 0 | 0 | 112.3 | C117 C120 F124 A129 Y130 K131 L135 L136 H137 | C117-H133 VanDerWaalsContact CB-NE2 3.34Å; C117-H133 WeakPolarHBondContact CB-NE2 3.35Å; C117-H133 PolarHBondContact SG-NE2 3.38Å; C117-H133 VanDerWaalsContact SG-NE2 3.36Å; C120-H133 PolarHBondContact SG-CE1 2.62Å; C120-H133 PolarHBondContact SG-NE2 3.03Å; F124-H133 HydrophobicContact CE1-CB 3.88Å; F124-H133 HydrophobicContact CE2-CB 4.08Å; F124-H133 AromaticContact CE2-CD2 3.15Å; F124-H133 WeakPolarHBondContact CE2-CD2 3.16Å; F124-H133 AromaticContact CE2-CG 3.68Å; F124-H133 AromaticContact CE2-NE2 3.78Å; F124-H133 HydrophobicContact CZ-CB 3.52Å; F124-H133 AromaticContact CZ-CD2 3.26Å; F124-H133 WeakPolarHBondContact CZ-CD2 3.05Å; F124-H133 AromaticContact CZ-CG 3.25Å; F124-H133 AromaticContact CZ-ND1 3.92Å; F124-H133 AromaticContact CZ-NE2 3.88Å; A129-H133 WeakPolarHBondContact O-CB 3.47Å; A129-H133 PolarHBondContact O-N 3.32Å; Y130-H133 CarbonylContact O-C 3.54Å; Y130-H133 WeakPolarHBondContact O-CA 3.43Å; Y130-H133 WeakPolarHBondContact O-CB 3.3Å; Y130-H133 PolarHBondContact O-N 2.73Å; K131-H133 PolarHBondContact O-N 3.3Å; H133-L135 PolarHBondContact O-N 2.93Å; H133-L136 WeakPolarHBondContact O-CA 3.43Å; H133-L136 VanDerWaalsContact O-CB 3.28Å; H133-L136 WeakPolarHBondContact O-CB 2.88Å; H133-L136 PolarHBondContact O-N 3.24Å; H133-H137 AromaticContact CD2-NE2 3.76Å; H133-H137 AromaticContact CE1-CD2 3.66Å; H133-H137 AromaticContact CE1-NE2 2.73Å; H133-H137 PolarHBondContact CE1-NE2 3.03Å; H133-H137 AromaticContact ND1-NE2 3.9Å; H133-H137 AromaticContact NE2-CD2 3.7Å; H133-H137 AromaticContact NE2-NE2 2.59Å; H133-H137 PolarHBondContact NE2-NE2 3.13Å |
| 134 | L | 81.6 | Confident | 73.3 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.9 | -37.4 | 170.8 | -77 | 179.4 | 0 | 0 | 0 | 111.9 | V100 L104 Y130 L136 H137 | V100-L134 HydrophobicContact CG1-CB 4.26Å; V100-L134 WeakPolarHBondContact CG1-O 3.1Å; V100-L134 HydrophobicContact CG2-CD2 4.27Å; L104-L134 HydrophobicContact CD1-CB 4.33Å; L104-L134 HydrophobicContact CD2-CB 3.75Å; L104-L134 HydrophobicContact CD2-CD1 3.89Å; L104-L134 HydrophobicContact CG-CB 3.94Å; L104-L134 HydrophobicContact CG-CD1 3.96Å; Y130-L134 HydrophobicContact CD1-CD1 4Å; Y130-L134 HydrophobicContact CD2-CG 4.42Å; Y130-L134 HydrophobicContact CE1-CD1 3.45Å; Y130-L134 VanDerWaalsContact CE1-CD1 3.45Å; Y130-L134 HydrophobicContact CE1-CG 4.23Å; Y130-L134 HydrophobicContact CE2-CD1 4.13Å; Y130-L134 HydrophobicContact CE2-CD2 4.25Å; Y130-L134 HydrophobicContact CE2-CG 4.05Å; Y130-L134 PolarHBondContact O-N 3.21Å; L134-L136 PolarHBondContact O-N 3.24Å; L134-L136 VanDerWaalsContact O-N 3.12Å; L134-H137 PolarHBondContact O-N 3.38Å |
| 135 | L | 76 | Confident | 73 | Confident | 80 Ų | 80 | 72.9 Ų | 72.9 | 42% | 0.419 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -7.9 | 172.9 | -71 | 170.9 | 0 | 0 | 0 | 114.5 | L104 K131 H133 | L104-L135 HydrophobicContact CD1-CD2 3.72Å; L104-L135 HydrophobicContact CD1-CG 4.18Å; L104-L135 HydrophobicContact CD2-CG 4.37Å; K131-L135 VanDerWaalsContact O-CG 3.3Å; K131-L135 WeakPolarHBondContact O-CG 3.46Å; K131-L135 PolarHBondContact O-N 3.02Å; H133-L135 PolarHBondContact O-N 2.93Å |
| 136 | L | 77 | Confident | 72.5 | Confident | 135 Ų | 135 | 69.8 Ų | 69.8 | 71% | 0.707 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -14.4 | 171.3 | -57.9 | 172.2 | 0 | 0 | 0 | 112.6 | H133 L134 | H133-L136 WeakPolarHBondContact O-CA 3.43Å; H133-L136 VanDerWaalsContact O-CB 3.28Å; H133-L136 WeakPolarHBondContact O-CB 2.88Å; H133-L136 PolarHBondContact O-N 3.24Å; L134-L136 PolarHBondContact O-N 3.24Å; L134-L136 VanDerWaalsContact O-N 3.12Å |
| 137 | H | 73 | Confident | 72.2 | Confident | 47 Ų | 47 | 63.9 Ų | 63.9 | 22% | 0.218 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -94.1 | -0.5 | 177.9 | -76.3 | -73.4 | 0 | 0 | 0 | 113.2 | N97 V100 C117 L119 C120 H133 L134 I139 | N97-H137 PolarHBondContact OD1-O 3.19Å; V100-H137 HydrophobicContact CG2-CB 3.78Å; C117-H137 PolarHBondContact SG-NE2 3.34Å; L119-H137 HydrophobicContact CD1-CB 3.67Å; L119-H137 PolarHBondContact O-CE1 3.22Å; L119-H137 VanDerWaalsContact O-CE1 3.31Å; C120-H137 VanDerWaalsContact CB-CE1 3.46Å; C120-H137 WeakPolarHBondContact CB-CE1 3.4Å; C120-H137 PolarHBondContact SG-NE2 3.02Å; H133-H137 AromaticContact CD2-NE2 3.76Å; H133-H137 AromaticContact CE1-CD2 3.66Å; H133-H137 AromaticContact CE1-NE2 2.73Å; H133-H137 PolarHBondContact CE1-NE2 3.03Å; H133-H137 AromaticContact ND1-NE2 3.9Å; H133-H137 AromaticContact NE2-CD2 3.7Å; H133-H137 AromaticContact NE2-NE2 2.59Å; H133-H137 PolarHBondContact NE2-NE2 3.13Å; L134-H137 PolarHBondContact O-N 3.38Å; H137-I139 PolarHBondContact O-N 3.43Å |
| 138 | Q | 64.5 | Low | 72.3 | Confident | 65 Ų | 65 | 62.8 Ų | 62.8 | 30% | 0.304 | 35% | 0.346 | S | S | . | . | trans | -75.4 | 106.8 | 171.5 | -63.3 | -165.9 | -79.6 | 0 | 0 | 109.5 | N97 V100 | N97-Q138 WeakPolarHBondContact OD1-CA 3.27Å; V100-Q138 HydrophobicContact CB-CG 4.48Å; V100-Q138 HydrophobicContact CG1-CG 3.5Å | ||
| 139 | I | 55.8 | Low | 72.4 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 28% | 0.277 | 35% | 0.345 | S | S | . | . | trans | -121.7 | 80.7 | -177.2 | -56.1 | 169.3 | 0 | 0 | 0 | 108 | N97 H137 E141 F143 | N97-I139 VanDerWaalsContact ND2-C 3.33Å; N97-I139 PolarHBondContact ND2-O 2.83Å; N97-I139 PolarHBondContact OD1-N 2.83Å; H137-I139 PolarHBondContact O-N 3.43Å; I139-E141 VanDerWaalsContact C-N 3.29Å; I139-E141 PolarHBondContact O-N 3.13Å; I139-F143 HydrophobicContact CD1-CZ 4.32Å; I139-F143 HydrophobicContact CG2-CE2 3.87Å; I139-F143 HydrophobicContact CG2-CZ 3.63Å | ||
| 140 | D | 46.1 | Very low | 72.2 | Confident | 77 Ų | 77 | 67.6 Ų | 67.6 | 41% | 0.412 | 35% | 0.354 | S | S | . | . | trans | -79.6 | 1.8 | -172 | -81.8 | -50.8 | 0 | 0 | 0 | 114.8 | N93 | N93-D140 VanDerWaalsContact ND2-C 3.32Å; N93-D140 PolarHBondContact ND2-O 2.88Å | ||
| 141 | E | 47.8 | Very low | 71.8 | Confident | 164 Ų | 164 | 70.7 Ų | 70.7 | 77% | 0.766 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -143.7 | 141.2 | -177.1 | -65.4 | -179.8 | 177.5 | 0 | 0 | 112.8 | I139 | I139-E141 VanDerWaalsContact C-N 3.29Å; I139-E141 PolarHBondContact O-N 3.13Å |
| 142 | N | 62.2 | Low | 71.7 | Confident | 92 Ų | 92 | 69.2 Ų | 69.2 | 49% | 0.492 | 37% | 0.372 | S | S | . | . | trans | -61.8 | 151.1 | 177.7 | -68.5 | -3.4 | 0 | 0 | 0 | 112 | V144 | N142-V144 PolarHBondContact O-N 3.02Š| ||
| 143 | F | 67.7 | Low | 71.6 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 22% | 0.219 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 90.5 | -173.8 | -68.1 | -84.8 | 0 | 0 | 0 | 111.7 | I139 F152 V155 Y158 | I139-F143 HydrophobicContact CD1-CZ 4.32Å; I139-F143 HydrophobicContact CG2-CE2 3.87Å; I139-F143 HydrophobicContact CG2-CZ 3.63Å; F143-F152 HydrophobicContact CB-CB 4.33Å; F143-F152 PolarHBondContact N-O 3.06Å; F143-F152 VanDerWaalsContact N-O 3.12Å; F143-F152 WeakPolarHBondContact O-CD2 3.48Å; F143-F152 PolarHBondContact O-N 3.14Å; F143-V155 HydrophobicContact CD2-CG2 4.31Å; F143-V155 HydrophobicContact CE1-CG2 4.02Å; F143-V155 HydrophobicContact CE2-CG2 3.52Å; F143-V155 HydrophobicContact CZ-CG2 3.36Å; F143-Y158 HydrophobicContact CB-CD1 4.35Å; F143-Y158 HydrophobicContact CB-CD2 3.53Å; F143-Y158 HydrophobicContact CB-CE2 4.16Å; F143-Y158 HydrophobicContact CB-CG 3.6Å; F143-Y158 HydrophobicContact CD1-CD1 4.19Å; F143-Y158 HydrophobicContact CD1-CG 4.27Å; F143-Y158 HydrophobicContact CG-CG 4.21Å; F143-Y158 WeakPolarHBondContact O-CD2 3.44Å |
| 144 | V | 71 | Confident | 71.3 | Confident | 54 Ų | 54 | 74.7 Ų | 74.7 | 33% | 0.327 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 119.9 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | N142 S146 Q149 Q150 | N142-V144 PolarHBondContact O-N 3.02Å; V144-S146 PolarHBondContact O-N 3.31Å; V144-Q149 HydrophobicContact CG1-CB 4.49Å; V144-Q149 WeakPolarHBondContact CG1-O 3.37Å; V144-Q150 WeakPolarHBondContact CA-O 3.38Å |
| 145 | C | 79.9 | Confident | 71 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | trans | -62 | 116.4 | 174.4 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | V147 Q149 Q150 F152 Y158 H161 | C145-V147 PolarHBondContact O-N 2.83Å; C145-Q149 WeakPolarHBondContact O-CA 3.5Å; C145-Q149 PolarHBondContact O-N 3.46Å; C145-Q150 PolarHBondContact N-O 3.32Å; C145-F152 HydrophobicContact CB-CD2 4.48Å; C145-F152 HydrophobicContact CB-CE2 3.88Å; C145-Y158 HydrophobicContact CB-CE2 4.4Å; C145-H161 VanDerWaalsContact SG-CD2 3.5Å; C145-H161 PolarHBondContact SG-NE2 2.83Å | ||
| 146 | S | 70.8 | Confident | 71.1 | Confident | 69 Ų | 69 | 77.9 Ų | 77.9 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -3.1 | -178.7 | 53.8 | 0 | 0 | 0 | 0 | 114.8 | V144 | V144-S146 PolarHBondContact O-N 3.31Š|
| 147 | V | 75 | Confident | 71.4 | Confident | 66 Ų | 66 | 75.7 Ų | 75.7 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -48.9 | -178.2 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | C145 C165 T166 I169 | C145-V147 PolarHBondContact O-N 2.83Å; V147-C165 VanDerWaalsContact CG1-SG 3.56Å; V147-T166 HydrophobicContact CG2-CG2 4.47Å; V147-I169 HydrophobicContact CG1-CD1 3.99Å |
| 148 | C | 85.7 | Confident | 72 | Confident | 52 Ų | 52 | 75.4 Ų | 75.4 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -3 | -179.3 | 70.1 | 0 | 0 | 0 | 0 | 115 | Q150 H161 | C148-Q150 PolarHBondContact O-N 3.06Å; C148-Q150 VanDerWaalsContact SG-CB 3.59Å; C148-Q150 PolarHBondContact SG-N 3.01Å; C148-Q150 VanDerWaalsContact SG-N 3.36Å; C148-H161 PolarHBondContact SG-CE1 2.75Å; C148-H161 PolarHBondContact SG-NE2 3.28Å |
| 149 | Q | 79.5 | Confident | 72.9 | Confident | 137 Ų | 137 | 77.3 Ų | 77.3 | 64% | 0.64 | 41% | 0.412 | S | S | * | . | trans | 62.8 | 9.1 | -174.3 | -51.7 | -66.4 | -6 | 0 | 0 | 116.9 | V144 C145 | V144-Q149 HydrophobicContact CG1-CB 4.49Å; V144-Q149 WeakPolarHBondContact CG1-O 3.37Å; C145-Q149 WeakPolarHBondContact O-CA 3.5Å; C145-Q149 PolarHBondContact O-N 3.46Å | ||
| 150 | Q | 79.7 | Confident | 74.2 | Confident | 109 Ų | 109 | 82.3 Ų | 82.3 | 51% | 0.509 | 43% | 0.432 | S | S | . | . | trans | -64.1 | 136.1 | 170.4 | -69.6 | 176.6 | -11.1 | 0 | 0 | 111.2 | V144 C145 C148 F152 H161 | V144-Q150 WeakPolarHBondContact CA-O 3.38Å; C145-Q150 PolarHBondContact N-O 3.32Å; C148-Q150 PolarHBondContact O-N 3.06Å; C148-Q150 VanDerWaalsContact SG-CB 3.59Å; C148-Q150 PolarHBondContact SG-N 3.01Å; C148-Q150 VanDerWaalsContact SG-N 3.36Å; Q150-F152 HydrophobicContact CB-CE2 3.6Å; Q150-F152 HydrophobicContact CB-CZ 3.6Å; Q150-F152 WeakPolarHBondContact O-CD2 3.29Å; Q150-F152 VanDerWaalsContact O-CE2 3.22Å; Q150-F152 WeakPolarHBondContact O-CE2 3.13Å; Q150-H161 PolarHBondContact OE1-CE1 3Å; Q150-H161 PolarHBondContact OE1-ND1 2.78Å | ||
| 151 | S | 77.6 | Confident | 76.2 | Confident | 82 Ų | 82 | 80.2 Ų | 80.2 | 57% | 0.573 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 133.9 | 176.2 | 57 | 0 | 0 | 0 | 0 | 111.7 | ||
| 152 | F | 80.2 | Confident | 77.9 | Confident | 31 Ų | 31 | 75 Ų | 75 | 14% | 0.136 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134 | 179.5 | -61.2 | -84.6 | 0 | 0 | 0 | 111 | F143 C145 Q150 S154 L157 Y158 H161 | F143-F152 HydrophobicContact CB-CB 4.33Å; F143-F152 PolarHBondContact N-O 3.06Å; F143-F152 VanDerWaalsContact N-O 3.12Å; F143-F152 WeakPolarHBondContact O-CD2 3.48Å; F143-F152 PolarHBondContact O-N 3.14Å; C145-F152 HydrophobicContact CB-CD2 4.48Å; C145-F152 HydrophobicContact CB-CE2 3.88Å; Q150-F152 HydrophobicContact CB-CE2 3.6Å; Q150-F152 HydrophobicContact CB-CZ 3.6Å; Q150-F152 WeakPolarHBondContact O-CD2 3.29Å; Q150-F152 VanDerWaalsContact O-CE2 3.22Å; Q150-F152 WeakPolarHBondContact O-CE2 3.13Å; F152-S154 VanDerWaalsContact C-N 3.32Å; F152-L157 HydrophobicContact CB-CB 4.37Å; F152-L157 HydrophobicContact CD1-CB 3.92Å; F152-Y158 AromaticContact CD2-CD2 3.98Å; F152-Y158 HydrophobicContact CD2-CD2 3.98Å; F152-H161 HydrophobicContact CD1-CB 4.33Å; F152-H161 HydrophobicContact CE1-CB 3.65Å; F152-H161 AromaticContact CE1-CG 3.77Å; F152-H161 HydrophobicContact CE2-CB 3.93Å; F152-H161 AromaticContact CE2-CD2 3.37Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.37Å; F152-H161 AromaticContact CE2-CG 3.5Å; F152-H161 VanDerWaalsContact CE2-CG 3.5Å; F152-H161 AromaticContact CE2-NE2 3.95Å; F152-H161 HydrophobicContact CZ-CB 3.45Å; F152-H161 VanDerWaalsContact CZ-CB 3.45Å; F152-H161 AromaticContact CZ-CD2 3.44Å; F152-H161 VanDerWaalsContact CZ-CD2 3.44Å; F152-H161 WeakPolarHBondContact CZ-CD2 3.12Å; F152-H161 AromaticContact CZ-CE1 3.84Å; F152-H161 AromaticContact CZ-CG 3.06Å; F152-H161 AromaticContact CZ-ND1 3.35Å; F152-H161 WeakPolarHBondContact CZ-ND1 3.44Å; F152-H161 AromaticContact CZ-NE2 3.93Å |
| 153 | E | 70.9 | Confident | 78.7 | Confident | 165 Ų | 165 | 76.9 Ų | 76.9 | 77% | 0.771 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -72.1 | -26.3 | -178.8 | -60 | -179.3 | 161.5 | 0 | 0 | 112.6 | ||
| 154 | S | 75.1 | Confident | 79.2 | Confident | 40 Ų | 40 | 77 Ų | 77 | 28% | 0.28 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -129.1 | 152.1 | -179.1 | 77.1 | 0 | 0 | 0 | 0 | 113 | F152 T156 L157 Y158 | F152-S154 VanDerWaalsContact C-N 3.32Å; S154-T156 PolarHBondContact O-N 3.24Å; S154-T156 PolarHBondContact OG-OG1 3.42Å; S154-L157 PolarHBondContact O-N 2.89Å; S154-L157 WeakPolarHBondContact OG-CG 3.48Å; S154-L157 PolarHBondContact OG-N 2.84Å; S154-Y158 WeakPolarHBondContact O-CB 3.42Å; S154-Y158 PolarHBondContact O-N 2.77Å |
| 155 | V | 75.6 | Confident | 79.6 | Confident | 58 Ų | 58 | 74.9 Ų | 74.9 | 35% | 0.352 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -55.9 | -39.2 | 174 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | F143 Y158 E159 | F143-V155 HydrophobicContact CD2-CG2 4.31Å; F143-V155 HydrophobicContact CE1-CG2 4.02Å; F143-V155 HydrophobicContact CE2-CG2 3.52Å; F143-V155 HydrophobicContact CZ-CG2 3.36Å; V155-Y158 WeakPolarHBondContact O-CB 3.39Å; V155-Y158 PolarHBondContact O-N 3.48Å; V155-E159 HydrophobicContact CG1-CG 4.13Å; V155-E159 WeakPolarHBondContact O-CB 3.35Å; V155-E159 WeakPolarHBondContact O-CG 3.26Å; V155-E159 PolarHBondContact O-N 3.43Å |
| 156 | T | 78.8 | Confident | 79.4 | Confident | 89 Ų | 89 | 78.5 Ų | 78.5 | 55% | 0.546 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.7 | -37.1 | -173.7 | 57.4 | 0 | 0 | 0 | 0 | 112.4 | S154 K160 | S154-T156 PolarHBondContact O-N 3.24Å; S154-T156 PolarHBondContact OG-OG1 3.42Å; T156-K160 WeakPolarHBondContact O-CB 3.47Å; T156-K160 WeakPolarHBondContact O-CG 3.36Å; T156-K160 PolarHBondContact O-N 3.38Å |
| 157 | L | 82.1 | Confident | 79.1 | Confident | 88 Ų | 88 | 83 Ų | 83 | 46% | 0.461 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 171.6 | -68.3 | 174.6 | 0 | 0 | 0 | 110.8 | F152 S154 E159 K160 H161 | F152-L157 HydrophobicContact CB-CB 4.37Å; F152-L157 HydrophobicContact CD1-CB 3.92Å; S154-L157 PolarHBondContact O-N 2.89Å; S154-L157 WeakPolarHBondContact OG-CG 3.48Å; S154-L157 PolarHBondContact OG-N 2.84Å; L157-E159 PolarHBondContact O-N 2.6Å; L157-K160 PolarHBondContact O-N 3.13Å; L157-H161 WeakPolarHBondContact O-CB 3.38Å; L157-H161 PolarHBondContact O-N 3.29Å |
| 158 | Y | 85.8 | Confident | 78 | Confident | 42 Ų | 42 | 85.1 Ų | 85.1 | 17% | 0.165 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 173.1 | 176.8 | -102.5 | 0 | 0 | 0 | 112.7 | F143 C145 F152 S154 V155 L162 | F143-Y158 HydrophobicContact CB-CD1 4.35Å; F143-Y158 HydrophobicContact CB-CD2 3.53Å; F143-Y158 HydrophobicContact CB-CE2 4.16Å; F143-Y158 HydrophobicContact CB-CG 3.6Å; F143-Y158 HydrophobicContact CD1-CD1 4.19Å; F143-Y158 HydrophobicContact CD1-CG 4.27Å; F143-Y158 HydrophobicContact CG-CG 4.21Å; F143-Y158 WeakPolarHBondContact O-CD2 3.44Å; C145-Y158 HydrophobicContact CB-CE2 4.4Å; F152-Y158 AromaticContact CD2-CD2 3.98Å; F152-Y158 HydrophobicContact CD2-CD2 3.98Å; S154-Y158 WeakPolarHBondContact O-CB 3.42Å; S154-Y158 PolarHBondContact O-N 2.77Å; V155-Y158 WeakPolarHBondContact O-CB 3.39Å; V155-Y158 PolarHBondContact O-N 3.48Å; Y158-L162 HydrophobicContact CE1-CD1 3.7Å; Y158-L162 HydrophobicContact CE2-CD1 4.13Å; Y158-L162 VanDerWaalsContact CZ-CD1 3.46Å; Y158-L162 WeakPolarHBondContact O-CB 3.2Å; Y158-L162 PolarHBondContact O-N 3.45Å; Y158-L162 WeakPolarHBondContact OH-CD1 3.47Å |
| 159 | E | 83.4 | Confident | 76.2 | Confident | 105 Ų | 105 | 87.7 Ų | 87.7 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.9 | -45.4 | -179.6 | -77.4 | -178.9 | 163 | 0 | 0 | 111.6 | V155 L157 H161 L162 H163 | V155-E159 HydrophobicContact CG1-CG 4.13Å; V155-E159 WeakPolarHBondContact O-CB 3.35Å; V155-E159 WeakPolarHBondContact O-CG 3.26Å; V155-E159 PolarHBondContact O-N 3.43Å; L157-E159 PolarHBondContact O-N 2.6Å; E159-H161 PolarHBondContact O-N 3.31Å; E159-L162 PolarHBondContact O-N 3.29Å; E159-H163 WeakPolarHBondContact O-CB 3.41Å; E159-H163 PolarHBondContact O-N 3.13Å |
| 160 | K | 84 | Confident | 74.4 | Confident | 159 Ų | 159 | 87.5 Ų | 87.5 | 69% | 0.691 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -57.9 | -49.2 | 173.5 | -77 | 180 | 177.1 | -174.1 | 0 | 111.4 | T156 L157 H163 A164 | T156-K160 WeakPolarHBondContact O-CB 3.47Å; T156-K160 WeakPolarHBondContact O-CG 3.36Å; T156-K160 PolarHBondContact O-N 3.38Å; L157-K160 PolarHBondContact O-N 3.13Å; K160-H163 PolarHBondContact O-N 3.46Å; K160-A164 PolarHBondContact O-N 3.31Å |
| 161 | H | 88.5 | Confident | 72.4 | Confident | 33 Ų | 33 | 89 Ų | 89 | 15% | 0.153 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 178.3 | 171.8 | 84.7 | 0 | 0 | 0 | 111.8 | C145 C148 Q150 F152 L157 E159 H163 A164 C165 | C145-H161 VanDerWaalsContact SG-CD2 3.5Å; C145-H161 PolarHBondContact SG-NE2 2.83Å; C148-H161 PolarHBondContact SG-CE1 2.75Å; C148-H161 PolarHBondContact SG-NE2 3.28Å; Q150-H161 PolarHBondContact OE1-CE1 3Å; Q150-H161 PolarHBondContact OE1-ND1 2.78Å; F152-H161 HydrophobicContact CD1-CB 4.33Å; F152-H161 HydrophobicContact CE1-CB 3.65Å; F152-H161 AromaticContact CE1-CG 3.77Å; F152-H161 HydrophobicContact CE2-CB 3.93Å; F152-H161 AromaticContact CE2-CD2 3.37Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.37Å; F152-H161 AromaticContact CE2-CG 3.5Å; F152-H161 VanDerWaalsContact CE2-CG 3.5Å; F152-H161 AromaticContact CE2-NE2 3.95Å; F152-H161 HydrophobicContact CZ-CB 3.45Å; F152-H161 VanDerWaalsContact CZ-CB 3.45Å; F152-H161 AromaticContact CZ-CD2 3.44Å; F152-H161 VanDerWaalsContact CZ-CD2 3.44Å; F152-H161 WeakPolarHBondContact CZ-CD2 3.12Å; F152-H161 AromaticContact CZ-CE1 3.84Å; F152-H161 AromaticContact CZ-CG 3.06Å; F152-H161 AromaticContact CZ-ND1 3.35Å; F152-H161 WeakPolarHBondContact CZ-ND1 3.44Å; F152-H161 AromaticContact CZ-NE2 3.93Å; L157-H161 WeakPolarHBondContact O-CB 3.38Å; L157-H161 PolarHBondContact O-N 3.29Å; E159-H161 PolarHBondContact O-N 3.31Å; H161-H163 PolarHBondContact O-N 3.08Å; H161-A164 CarbonylContact O-C 3.28Å; H161-A164 PolarHBondContact O-N 2.99Å; H161-A164 VanDerWaalsContact O-N 3.08Å; H161-C165 WeakPolarHBondContact NE2-CB 3.45Å; H161-C165 WeakPolarHBondContact O-CB 3.13Å; H161-C165 PolarHBondContact O-N 2.98Å |
| 162 | L | 82.4 | Confident | 70.3 | Confident | 53 Ų | 53 | 92.4 Ų | 92.4 | 28% | 0.277 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.1 | -33.5 | 179.8 | -167.1 | 148.2 | 0 | 0 | 0 | 110.5 | Y158 E159 T166 | Y158-L162 HydrophobicContact CE1-CD1 3.7Å; Y158-L162 HydrophobicContact CE2-CD1 4.13Å; Y158-L162 VanDerWaalsContact CZ-CD1 3.46Å; Y158-L162 WeakPolarHBondContact O-CB 3.2Å; Y158-L162 PolarHBondContact O-N 3.45Å; Y158-L162 WeakPolarHBondContact OH-CD1 3.47Å; E159-L162 PolarHBondContact O-N 3.29Å; L162-T166 HydrophobicContact CD2-CG2 4.05Å; L162-T166 HydrophobicContact CG-CG2 4.47Å; L162-T166 VanDerWaalsContact O-CB 3.32Å; L162-T166 WeakPolarHBondContact O-CB 3.32Å; L162-T166 VanDerWaalsContact O-CG2 3.22Å; L162-T166 WeakPolarHBondContact O-CG2 3.41Å; L162-T166 PolarHBondContact O-N 2.76Å; L162-T166 PolarHBondContact O-OG1 3.22Å |
| 163 | H | 79.4 | Confident | 67.9 | Low | 132 Ų | 132 | 100.3 Ų | 100.3 | 61% | 0.611 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.2 | -38.9 | 171.5 | -126.5 | -21.9 | 0 | 0 | 0 | 113.4 | E159 K160 H161 T166 K167 | E159-H163 WeakPolarHBondContact O-CB 3.41Å; E159-H163 PolarHBondContact O-N 3.13Å; K160-H163 PolarHBondContact O-N 3.46Å; H161-H163 PolarHBondContact O-N 3.08Å; H163-T166 PolarHBondContact O-OG1 3.1Å; H163-K167 WeakPolarHBondContact O-CG 3.33Å; H163-K167 PolarHBondContact O-N 2.9Å |
| 164 | A | 78.2 | Confident | 66.3 | Low | 52 Ų | 52 | 97.9 Ų | 97.9 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.3 | -49.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K160 H161 T166 K167 T168 | K160-A164 PolarHBondContact O-N 3.31Å; H161-A164 CarbonylContact O-C 3.28Å; H161-A164 PolarHBondContact O-N 2.99Å; H161-A164 VanDerWaalsContact O-N 3.08Å; A164-T166 VanDerWaalsContact C-N 3.27Å; A164-T166 PolarHBondContact O-N 3.21Å; A164-K167 WeakPolarHBondContact O-CA 3.07Å; A164-K167 WeakPolarHBondContact O-CB 3.45Å; A164-K167 PolarHBondContact O-N 2.68Å; A164-T168 PolarHBondContact O-N 3.15Å; A164-T168 VanDerWaalsContact O-N 3.14Å; A164-T168 PolarHBondContact O-OG1 3.18Å |
| 165 | C | 79.6 | Confident | 64.7 | Low | 10 Ų | 10 | 99.9 Ų | 99.9 | 7% | 0.068 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -69.2 | -20.5 | -176.8 | -166 | 0 | 0 | 0 | 0 | 113.7 | V147 H161 | V147-C165 VanDerWaalsContact CG1-SG 3.56Å; H161-C165 WeakPolarHBondContact NE2-CB 3.45Å; H161-C165 WeakPolarHBondContact O-CB 3.13Å; H161-C165 PolarHBondContact O-N 2.98Å |
| 166 | T | 74.6 | Confident | 63.6 | Low | 76 Ų | 76 | 102.7 Ų | 102.7 | 47% | 0.466 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.7 | -15.7 | 168.1 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | V147 L162 H163 A164 | V147-T166 HydrophobicContact CG2-CG2 4.47Å; L162-T166 HydrophobicContact CD2-CG2 4.05Å; L162-T166 HydrophobicContact CG-CG2 4.47Å; L162-T166 VanDerWaalsContact O-CB 3.32Å; L162-T166 WeakPolarHBondContact O-CB 3.32Å; L162-T166 VanDerWaalsContact O-CG2 3.22Å; L162-T166 WeakPolarHBondContact O-CG2 3.41Å; L162-T166 PolarHBondContact O-N 2.76Å; L162-T166 PolarHBondContact O-OG1 3.22Å; H163-T166 PolarHBondContact O-OG1 3.1Å; A164-T166 VanDerWaalsContact C-N 3.27Å; A164-T166 PolarHBondContact O-N 3.21Å |
| 167 | K | 65.3 | Low | 63.5 | Low | 163 Ų | 163 | 103.7 Ų | 103.7 | 71% | 0.709 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -32 | 173.4 | -78.7 | -178.7 | 173.6 | -168.8 | 0 | 113.1 | H163 A164 | H163-K167 WeakPolarHBondContact O-CG 3.33Å; H163-K167 PolarHBondContact O-N 2.9Å; A164-K167 WeakPolarHBondContact O-CA 3.07Å; A164-K167 WeakPolarHBondContact O-CB 3.45Å; A164-K167 PolarHBondContact O-N 2.68Å |
| 168 | T | 52.8 | Low | 63.4 | Low | 112 Ų | 112 | 102.6 Ų | 102.6 | 69% | 0.687 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -91.6 | 3.3 | -171.8 | 48.3 | 0 | 0 | 0 | 0 | 115.9 | A164 | A164-T168 PolarHBondContact O-N 3.15Å; A164-T168 VanDerWaalsContact O-N 3.14Å; A164-T168 PolarHBondContact O-OG1 3.18Å |
| 169 | I | 46.7 | Very low | 63.2 | Low | 105 Ų | 105 | 109 Ų | 109 | 54% | 0.538 | 57% | 0.565 | S | S | . | * | trans | -127.5 | 81.5 | 178.4 | -50.9 | -177.9 | 0 | 0 | 0 | 111 | V147 | V147-I169 HydrophobicContact CG1-CD1 3.99Š| ||
| 170 | V | 41.6 | Very low | 63.1 | Low | 133 Ų | 133 | 104.1 Ų | 104.1 | 81% | 0.806 | 54% | 0.541 | S | S | * | . | trans | -109.5 | 89.2 | 150.7 | 179.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 171 | I | 37.7 | Very low | 62.8 | Low | 142 Ų | 142 | 104.1 Ų | 104.1 | 73% | 0.728 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -171.1 | 146.5 | 156.7 | -97.6 | 146.2 | 0 | 0 | 0 | 109.7 | K173 | I171-K173 PolarHBondContact O-N 3.28Š|
| 172 | N | 32.9 | Very low | 62.1 | Low | 153 Ų | 153 | 106.4 Ų | 106.4 | 82% | 0.818 | 55% | 0.55 | S | S | * | . | trans | -63.2 | 112.7 | -168.2 | -59 | -50.8 | 0 | 0 | 0 | 115.7 | ||||
| 173 | K | 31 | Very low | 62.1 | Low | 197 Ų | 197 | 106.4 Ų | 106.4 | 86% | 0.857 | 55% | 0.553 | S | S | * | * | trans | -161.6 | 117.4 | 134.2 | -110.1 | 164.3 | -173.3 | 173.4 | 0 | 110.4 | I171 | I171-K173 PolarHBondContact O-N 3.28Š| ||
| 174 | P | 36.9 | Very low | 61.9 | Low | 113 Ų | 113 | 101.5 Ų | 101.5 | 73% | 0.734 | 54% | 0.539 | S | S | * | . | trans | -75.2 | 133.4 | -178.6 | 29.4 | -33 | 0 | 0 | 0 | 110.7 | S176 | P174-S176 PolarHBondContact O-N 3.22Š| ||
| 175 | P | 41.4 | Very low | 61.9 | Low | 82 Ų | 82 | 102.4 Ų | 102.4 | 53% | 0.532 | 54% | 0.535 | S | S | . | . | trans | -64.2 | 129.4 | 176.4 | 25.5 | -33.5 | 0 | 0 | 0 | 110.4 | Q177 Y178 | P175-Q177 PolarHBondContact O-N 3.3Å; P175-Y178 HydrophobicContact CG-CE1 4.27Å; P175-Y178 HydrophobicContact CG-CE2 4.48Å | ||
| 176 | S | 53.3 | Low | 62 | Low | 117 Ų | 117 | 106.5 Ų | 106.5 | 82% | 0.818 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -68.3 | 91.5 | -180 | 40.7 | 0 | 0 | 0 | 0 | 110.8 | P174 | P174-S176 PolarHBondContact O-N 3.22Š|
| 177 | Q | 76 | Confident | 62.6 | Low | 110 Ų | 110 | 104.1 Ų | 104.1 | 51% | 0.514 | 54% | 0.54 | S | S | . | . | trans | 83.9 | 129.4 | 174.8 | -43.3 | 176.8 | 23.8 | 0 | 0 | 116.1 | P175 L186 | P175-Q177 PolarHBondContact O-N 3.3Å; Q177-L186 HydrophobicContact CB-CB 4.19Å; Q177-L186 HydrophobicContact CB-CD2 4.47Å | ||
| 178 | Y | 80.6 | Confident | 63.2 | Low | 66 Ų | 66 | 99.9 Ų | 99.9 | 26% | 0.259 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.2 | -178.4 | -65.7 | -101 | 0 | 0 | 0 | 110.8 | P175 L187 I190 | P175-Y178 HydrophobicContact CG-CE1 4.27Å; P175-Y178 HydrophobicContact CG-CE2 4.48Å; Y178-L187 PolarHBondContact N-O 3.46Å; Y178-L187 PolarHBondContact O-N 3.42Å; Y178-I190 HydrophobicContact CD1-CB 4.44Å; Y178-I190 HydrophobicContact CD1-CG1 4.15Å; Y178-I190 HydrophobicContact CE1-CB 4.02Å; Y178-I190 HydrophobicContact CE1-CD1 3.89Å; Y178-I190 HydrophobicContact CE1-CG1 3.87Å; Y178-I190 HydrophobicContact CE2-CB 4.45Å |
| 179 | R | 80.5 | Confident | 64.7 | Low | 177 Ų | 177 | 96.7 Ų | 96.7 | 67% | 0.668 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 127.7 | 179.5 | -156.2 | 179 | -177.9 | -151.6 | 4.5 | 112.6 | R181 G184 M185 L186 I193 | R179-R181 PolarHBondContact O-N 2.86Å; R179-G184 WeakPolarHBondContact CG-O 3.27Å; R179-G184 PolarHBondContact NE-O 3.28Å; R179-G184 VanDerWaalsContact NE-O 3.17Å; R179-M185 CarbonylContact C-O 3.53Å; R179-M185 WeakPolarHBondContact CA-O 3.44Å; R179-L186 HydrophobicContact CB-CD2 3.82Å; R179-L186 HydrophobicContact CG-CD2 3.89Å; R179-I193 WeakPolarHBondContact O-CD1 3.47Å |
| 180 | C | 81.5 | Confident | 66.3 | Low | 1 Ų | 1 | 95.8 Ų | 95.8 | 1% | 0.007 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 117.7 | 171.2 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | I182 C183 G184 M185 H196 H201 | C180-I182 PolarHBondContact O-N 2.8Å; C180-I182 VanDerWaalsContact O-N 3.13Å; C180-C183 PolarHBondContact O-N 3.36Å; C180-G184 WeakPolarHBondContact O-CA 3.19Å; C180-G184 PolarHBondContact O-N 3.03Å; C180-M185 PolarHBondContact N-O 3.48Å; C180-H196 VanDerWaalsContact CB-NE2 3.31Å; C180-H196 WeakPolarHBondContact CB-NE2 3.32Å; C180-H196 PolarHBondContact SG-CD2 3.49Å; C180-H196 PolarHBondContact SG-NE2 3.37Å; C180-H201 PolarHBondContact SG-CD2 3.07Å; C180-H201 PolarHBondContact SG-NE2 3.31Å; C180-H201 VanDerWaalsContact SG-NE2 3.42Å |
| 181 | R | 78.7 | Confident | 68.4 | Low | 160 Ų | 160 | 91.6 Ų | 91.6 | 60% | 0.604 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -21.1 | -179.2 | -67.6 | -173.6 | 173.2 | -172.9 | -6.2 | 114.5 | R179 Y197 | R179-R181 PolarHBondContact O-N 2.86Å; R181-Y197 PolarHBondContact N-OH 3.5Å |
| 182 | I | 73.8 | Confident | 70.8 | Confident | 81 Ų | 81 | 89.9 Ų | 89.9 | 42% | 0.415 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -22 | -174.9 | -55.4 | 169.7 | 0 | 0 | 0 | 113.1 | C180 Y197 H201 Y204 | C180-I182 PolarHBondContact O-N 2.8Å; C180-I182 VanDerWaalsContact O-N 3.13Å; I182-Y197 HydrophobicContact CD1-CD1 4.1Å; I182-Y197 HydrophobicContact CD1-CE1 3.66Å; I182-Y197 HydrophobicContact CG1-CE1 4.11Å; I182-H201 HydrophobicContact CD1-CB 3.66Å; I182-H201 VanDerWaalsContact CG2-CE1 3.46Å; I182-H201 WeakPolarHBondContact CG2-CE1 3.5Å; I182-H201 WeakPolarHBondContact CG2-ND1 3.4Å; I182-Y204 HydrophobicContact CD1-CD1 4.12Å; I182-Y204 HydrophobicContact CD1-CD2 3.64Å; I182-Y204 HydrophobicContact CD1-CE2 4.23Å; I182-Y204 HydrophobicContact CD1-CG 3.56Å; I182-Y204 HydrophobicContact CG1-CD2 4.45Å |
| 183 | C | 81.9 | Confident | 73.4 | Confident | 52 Ų | 52 | 83.4 Ų | 83.4 | 35% | 0.351 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.8 | 12.5 | -178.5 | 81.7 | 0 | 0 | 0 | 0 | 114.8 | C180 M185 H196 | C180-C183 PolarHBondContact O-N 3.36Å; C183-M185 PolarHBondContact O-N 3.36Å; C183-H196 PolarHBondContact SG-CE1 3.04Å; C183-H196 PolarHBondContact SG-NE2 2.76Å |
| 184 | G | 74.2 | Confident | 75.8 | Confident | 30 Ų | 30 | 79.6 Ų | 79.6 | 31% | 0.309 | 43% | 0.428 | S | S | . | . | trans | 68.5 | -7.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | R179 C180 L186 | R179-G184 WeakPolarHBondContact CG-O 3.27Å; R179-G184 PolarHBondContact NE-O 3.28Å; R179-G184 VanDerWaalsContact NE-O 3.17Å; C180-G184 WeakPolarHBondContact O-CA 3.19Å; C180-G184 PolarHBondContact O-N 3.03Å; G184-L186 PolarHBondContact O-N 3.44Å | ||
| 185 | M | 79.2 | Confident | 78.1 | Confident | 70 Ų | 70 | 78.5 Ų | 78.5 | 35% | 0.345 | 41% | 0.413 | S | S | . | . | trans | -64.5 | 128.2 | -176.3 | -81.3 | -168.2 | 71 | 0 | 0 | 112.8 | R179 C180 C183 L187 H196 R200 | R179-M185 CarbonylContact C-O 3.53Å; R179-M185 WeakPolarHBondContact CA-O 3.44Å; C180-M185 PolarHBondContact N-O 3.48Å; C183-M185 PolarHBondContact O-N 3.36Å; M185-L187 HydrophobicContact CE-CD2 4.39Å; M185-H196 PolarHBondContact SD-CE1 3.3Å; M185-R200 VanDerWaalsContact SD-CZ 3.58Å; M185-R200 PolarHBondContact SD-NH1 3.31Å | ||
| 186 | L | 80.7 | Confident | 80.3 | Confident | 97 Ų | 97 | 75.3 Ų | 75.3 | 51% | 0.508 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 140.1 | 167.8 | -62.5 | 169.2 | 0 | 0 | 0 | 110.7 | Q177 R179 G184 | Q177-L186 HydrophobicContact CB-CB 4.19Å; Q177-L186 HydrophobicContact CB-CD2 4.47Å; R179-L186 HydrophobicContact CB-CD2 3.82Å; R179-L186 HydrophobicContact CG-CD2 3.89Å; G184-L186 PolarHBondContact O-N 3.44Å |
| 187 | L | 88 | Confident | 81.9 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 14% | 0.136 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 128.6 | -174.7 | -66 | 168.6 | 0 | 0 | 0 | 110.6 | Y178 M185 S189 K192 I193 H196 | Y178-L187 PolarHBondContact N-O 3.46Å; Y178-L187 PolarHBondContact O-N 3.42Å; M185-L187 HydrophobicContact CE-CD2 4.39Å; L187-S189 PolarHBondContact O-N 3.39Å; L187-K192 HydrophobicContact CB-CB 4.23Å; L187-I193 HydrophobicContact CD1-CB 4.08Å; L187-I193 HydrophobicContact CD1-CG1 4.02Å; L187-H196 HydrophobicContact CD1-CB 3.42Å; L187-H196 VanDerWaalsContact CD1-CB 3.42Å |
| 188 | S | 78.5 | Confident | 82 | Confident | 74 Ų | 74 | 75.8 Ų | 75.8 | 52% | 0.517 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -65.2 | -4.9 | -168.5 | 80.5 | 0 | 0 | 0 | 0 | 117 | K192 | S188-K192 WeakPolarHBondContact OG-CD 3.38Å; S188-K192 PolarHBondContact OG-NZ 2.86Å |
| 189 | S | 83.1 | Confident | 81.8 | Confident | 44 Ų | 44 | 81.4 Ų | 81.4 | 31% | 0.308 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -158.5 | 159.1 | 177.7 | 77 | 0 | 0 | 0 | 0 | 114.1 | L187 G191 K192 I193 | L187-S189 PolarHBondContact O-N 3.39Å; S189-G191 PolarHBondContact O-N 3.19Å; S189-G191 PolarHBondContact OG-N 3.35Å; S189-K192 PolarHBondContact O-N 3.03Å; S189-K192 PolarHBondContact OG-N 2.95Å; S189-I193 PolarHBondContact O-N 3.5Å |
| 190 | I | 80.1 | Confident | 81.6 | Confident | 87 Ų | 87 | 80.4 Ų | 80.4 | 45% | 0.446 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -24.2 | 176.2 | -141.3 | 168.6 | 0 | 0 | 0 | 112.4 | Y178 I193 K194 | Y178-I190 HydrophobicContact CD1-CB 4.44Å; Y178-I190 HydrophobicContact CD1-CG1 4.15Å; Y178-I190 HydrophobicContact CE1-CB 4.02Å; Y178-I190 HydrophobicContact CE1-CD1 3.89Å; Y178-I190 HydrophobicContact CE1-CG1 3.87Å; Y178-I190 HydrophobicContact CE2-CB 4.45Å; I190-I193 HydrophobicContact CG1-CG2 4Å; I190-I193 WeakPolarHBondContact O-CG2 3.26Å; I190-K194 WeakPolarHBondContact O-CB 3.47Å; I190-K194 VanDerWaalsContact O-CG 3.3Å; I190-K194 WeakPolarHBondContact O-CG 3.41Å; I190-K194 PolarHBondContact O-N 3.38Å |
| 191 | G | 86.2 | Confident | 81.7 | Confident | 45 Ų | 45 | 81.8 Ų | 81.8 | 46% | 0.464 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.4 | -47 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S189 K194 Q195 | S189-G191 PolarHBondContact O-N 3.19Å; S189-G191 PolarHBondContact OG-N 3.35Å; G191-K194 PolarHBondContact O-N 3.24Å; G191-Q195 WeakPolarHBondContact O-CB 3.25Å; G191-Q195 PolarHBondContact O-N 2.77Å |
| 192 | K | 87.7 | Confident | 81 | Confident | 105 Ų | 105 | 78.9 Ų | 78.9 | 46% | 0.457 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 175.5 | -72.3 | -179.3 | -174.7 | 172.6 | 0 | 111.8 | L187 S188 S189 Q195 H196 | L187-K192 HydrophobicContact CB-CB 4.23Å; S188-K192 WeakPolarHBondContact OG-CD 3.38Å; S188-K192 PolarHBondContact OG-NZ 2.86Å; S189-K192 PolarHBondContact O-N 3.03Å; S189-K192 PolarHBondContact OG-N 2.95Å; K192-Q195 PolarHBondContact O-N 2.94Å; K192-H196 VanDerWaalsContact O-CB 3.24Å; K192-H196 WeakPolarHBondContact O-CB 3.45Å; K192-H196 PolarHBondContact O-N 2.97Å |
| 193 | I | 87.4 | Confident | 80.3 | Confident | 18 Ų | 18 | 81.2 Ų | 81.2 | 9% | 0.092 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.5 | -41.2 | 176.1 | -155.8 | 172.2 | 0 | 0 | 0 | 112.1 | R179 L187 S189 I190 Q195 H196 Y197 | R179-I193 WeakPolarHBondContact O-CD1 3.47Å; L187-I193 HydrophobicContact CD1-CB 4.08Å; L187-I193 HydrophobicContact CD1-CG1 4.02Å; S189-I193 PolarHBondContact O-N 3.5Å; I190-I193 HydrophobicContact CG1-CG2 4Å; I190-I193 WeakPolarHBondContact O-CG2 3.26Å; I193-Q195 VanDerWaalsContact C-N 3.33Å; I193-Q195 PolarHBondContact O-N 3.29Å; I193-H196 WeakPolarHBondContact O-CB 3.45Å; I193-H196 PolarHBondContact O-N 3Å; I193-Y197 HydrophobicContact CD1-CE2 3.93Å; I193-Y197 HydrophobicContact CG1-CD2 3.91Å; I193-Y197 HydrophobicContact CG1-CE2 3.66Å; I193-Y197 VanDerWaalsContact O-CD2 3.25Å; I193-Y197 WeakPolarHBondContact O-CD2 3.36Å; I193-Y197 PolarHBondContact O-N 3.37Å |
| 194 | K | 83.2 | Confident | 78.6 | Confident | 117 Ų | 117 | 84.1 Ų | 84.1 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 172.5 | -76 | 173.7 | -179.6 | 174.5 | 0 | 111.3 | I190 G191 R198 | I190-K194 WeakPolarHBondContact O-CB 3.47Å; I190-K194 VanDerWaalsContact O-CG 3.3Å; I190-K194 WeakPolarHBondContact O-CG 3.41Å; I190-K194 PolarHBondContact O-N 3.38Å; G191-K194 PolarHBondContact O-N 3.24Å; K194-R198 VanDerWaalsContact O-CG 3.24Å; K194-R198 WeakPolarHBondContact O-CG 3.3Å; K194-R198 PolarHBondContact O-N 3.5Å; K194-R198 VanDerWaalsContact O-N 3.07Å |
| 195 | Q | 83.7 | Confident | 77.1 | Confident | 90 Ų | 90 | 91 Ų | 91 | 42% | 0.421 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.7 | -37.5 | 175.1 | -164.9 | -172.5 | 58.6 | 0 | 0 | 112 | G191 K192 I193 R198 R199 | G191-Q195 WeakPolarHBondContact O-CB 3.25Å; G191-Q195 PolarHBondContact O-N 2.77Å; K192-Q195 PolarHBondContact O-N 2.94Å; I193-Q195 VanDerWaalsContact C-N 3.33Å; I193-Q195 PolarHBondContact O-N 3.29Å; Q195-R198 PolarHBondContact O-N 3.41Å; Q195-R199 WeakPolarHBondContact O-CB 3.41Å; Q195-R199 WeakPolarHBondContact O-CG 3.42Å; Q195-R199 PolarHBondContact O-N 3.4Å |
| 196 | H | 88.9 | Confident | 75 | Confident | 14 Ų | 14 | 93 Ų | 93 | 7% | 0.065 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -66.2 | -46.3 | 176.2 | 178.7 | 99.2 | 0 | 0 | 0 | 112 | C180 C183 M185 L187 K192 I193 R198 R199 R200 H201 | C180-H196 VanDerWaalsContact CB-NE2 3.31Å; C180-H196 WeakPolarHBondContact CB-NE2 3.32Å; C180-H196 PolarHBondContact SG-CD2 3.49Å; C180-H196 PolarHBondContact SG-NE2 3.37Å; C183-H196 PolarHBondContact SG-CE1 3.04Å; C183-H196 PolarHBondContact SG-NE2 2.76Å; M185-H196 PolarHBondContact SD-CE1 3.3Å; L187-H196 HydrophobicContact CD1-CB 3.42Å; L187-H196 VanDerWaalsContact CD1-CB 3.42Å; K192-H196 VanDerWaalsContact O-CB 3.24Å; K192-H196 WeakPolarHBondContact O-CB 3.45Å; K192-H196 PolarHBondContact O-N 2.97Å; I193-H196 WeakPolarHBondContact O-CB 3.45Å; I193-H196 PolarHBondContact O-N 3Å; H196-R198 VanDerWaalsContact C-N 3.34Å; H196-R198 PolarHBondContact O-N 3.37Å; H196-R199 PolarHBondContact O-N 3.23Å; H196-R199 VanDerWaalsContact O-N 3.14Å; H196-R200 WeakPolarHBondContact CE1-CD 3.26Å; H196-R200 PolarHBondContact CE1-NE 2.88Å; H196-R200 PolarHBondContact CE1-NH1 3.31Å; H196-R200 PolarHBondContact O-N 2.79Å; H196-H201 AromaticContact CD2-CD2 3.72Å; H196-H201 AromaticContact CD2-NE2 3.92Å; H196-H201 AromaticContact NE2-CD2 3.16Å; H196-H201 PolarHBondContact NE2-CD2 3.24Å; H196-H201 AromaticContact NE2-CE1 3.8Å; H196-H201 AromaticContact NE2-NE2 2.58Å; H196-H201 PolarHBondContact NE2-NE2 2.74Å |
| 197 | Y | 86.7 | Confident | 72.7 | Confident | 42 Ų | 42 | 96.4 Ų | 96.4 | 17% | 0.165 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -57.8 | -46 | 170.9 | -81 | -71.6 | 0 | 0 | 0 | 111 | R181 I182 I193 R199 H201 Y204 | R181-Y197 PolarHBondContact N-OH 3.5Å; I182-Y197 HydrophobicContact CD1-CD1 4.1Å; I182-Y197 HydrophobicContact CD1-CE1 3.66Å; I182-Y197 HydrophobicContact CG1-CE1 4.11Å; I193-Y197 HydrophobicContact CD1-CE2 3.93Å; I193-Y197 HydrophobicContact CG1-CD2 3.91Å; I193-Y197 HydrophobicContact CG1-CE2 3.66Å; I193-Y197 VanDerWaalsContact O-CD2 3.25Å; I193-Y197 WeakPolarHBondContact O-CD2 3.36Å; I193-Y197 PolarHBondContact O-N 3.37Å; Y197-R199 VanDerWaalsContact C-N 3.28Å; Y197-R199 PolarHBondContact O-N 3.11Å; Y197-H201 HydrophobicContact CD1-CB 3.96Å; Y197-H201 CarbonylContact O-C 3.43Å; Y197-H201 VanDerWaalsContact O-CA 3.31Å; Y197-H201 WeakPolarHBondContact O-CA 3.42Å; Y197-H201 PolarHBondContact O-N 2.82Å; Y197-Y204 AromaticContact CD1-CD1 3.67Å; Y197-Y204 HydrophobicContact CD1-CD1 3.67Å; Y197-Y204 HydrophobicContact CD1-CE1 4.42Å; Y197-Y204 HydrophobicContact CD1-CG 4.28Å; Y197-Y204 AromaticContact CE1-CD1 3.4Å; Y197-Y204 HydrophobicContact CE1-CD1 3.4Å; Y197-Y204 VanDerWaalsContact CE1-CD1 3.4Å; Y197-Y204 AromaticContact CE1-CE1 3.73Å; Y197-Y204 HydrophobicContact CE1-CE1 3.73Å; Y197-Y204 HydrophobicContact CE1-CG 4.13Å |
| 198 | R | 78.4 | Confident | 69.9 | Low | 196 Ų | 196 | 99.9 Ų | 99.9 | 74% | 0.74 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.8 | -32.5 | 175.6 | -70.2 | 175.2 | -153 | -171.1 | 7.3 | 113.6 | K194 Q195 H196 | K194-R198 VanDerWaalsContact O-CG 3.24Å; K194-R198 WeakPolarHBondContact O-CG 3.3Å; K194-R198 PolarHBondContact O-N 3.5Å; K194-R198 VanDerWaalsContact O-N 3.07Å; Q195-R198 PolarHBondContact O-N 3.41Å; H196-R198 VanDerWaalsContact C-N 3.34Å; H196-R198 PolarHBondContact O-N 3.37Å |
| 199 | R | 75.6 | Confident | 67.6 | Low | 184 Ų | 184 | 102.9 Ų | 102.9 | 69% | 0.694 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -89.9 | -51.2 | -176.2 | -77.4 | 179 | 170.5 | 172.3 | -4.6 | 113.7 | Q195 H196 Y197 | Q195-R199 WeakPolarHBondContact O-CB 3.41Å; Q195-R199 WeakPolarHBondContact O-CG 3.42Å; Q195-R199 PolarHBondContact O-N 3.4Å; H196-R199 PolarHBondContact O-N 3.23Å; H196-R199 VanDerWaalsContact O-N 3.14Å; Y197-R199 VanDerWaalsContact C-N 3.28Å; Y197-R199 PolarHBondContact O-N 3.11Å |
| 200 | R | 77.2 | Confident | 64.7 | Low | 155 Ų | 155 | 109 Ų | 109 | 59% | 0.585 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -97.1 | -26.7 | -175.4 | -65.1 | -157.4 | -174.8 | -177.7 | 1.5 | 114.1 | M185 H196 P202 | M185-R200 VanDerWaalsContact SD-CZ 3.58Å; M185-R200 PolarHBondContact SD-NH1 3.31Å; H196-R200 WeakPolarHBondContact CE1-CD 3.26Å; H196-R200 PolarHBondContact CE1-NE 2.88Å; H196-R200 PolarHBondContact CE1-NH1 3.31Å; H196-R200 PolarHBondContact O-N 2.79Å; R200-P202 VanDerWaalsContact C-CD 3.41Å |
| 201 | H | 81.5 | Confident | 62.2 | Low | 30 Ų | 30 | 112 Ų | 112 | 14% | 0.139 | 55% | 0.548 | C | S | . | . | trans | -129.7 | 50.6 | -174.7 | -50.8 | -60.6 | 0 | 0 | 0 | 114.2 | C180 I182 H196 Y197 C203 Y204 | C180-H201 PolarHBondContact SG-CD2 3.07Å; C180-H201 PolarHBondContact SG-NE2 3.31Å; C180-H201 VanDerWaalsContact SG-NE2 3.42Å; I182-H201 HydrophobicContact CD1-CB 3.66Å; I182-H201 VanDerWaalsContact CG2-CE1 3.46Å; I182-H201 WeakPolarHBondContact CG2-CE1 3.5Å; I182-H201 WeakPolarHBondContact CG2-ND1 3.4Å; H196-H201 AromaticContact CD2-CD2 3.72Å; H196-H201 AromaticContact CD2-NE2 3.92Å; H196-H201 AromaticContact NE2-CD2 3.16Å; H196-H201 PolarHBondContact NE2-CD2 3.24Å; H196-H201 AromaticContact NE2-CE1 3.8Å; H196-H201 AromaticContact NE2-NE2 2.58Å; H196-H201 PolarHBondContact NE2-NE2 2.74Å; Y197-H201 HydrophobicContact CD1-CB 3.96Å; Y197-H201 CarbonylContact O-C 3.43Å; Y197-H201 VanDerWaalsContact O-CA 3.31Å; Y197-H201 WeakPolarHBondContact O-CA 3.42Å; Y197-H201 PolarHBondContact O-N 2.82Å; H201-C203 PolarHBondContact O-N 3.04Å; H201-Y204 PolarHBondContact O-N 3.4Å | ||
| 202 | P | 64.5 | Low | 59.5 | Low | 99 Ų | 99 | 116 Ų | 116 | 64% | 0.643 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -2.6 | -173.6 | 28.7 | -37.6 | 0 | 0 | 0 | 115.2 | R200 | R200-P202 VanDerWaalsContact C-CD 3.41Š|
| 203 | C | 58.6 | Low | 56.5 | Low | 130 Ų | 130 | 114.6 Ų | 114.6 | 88% | 0.878 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -15.9 | 173.7 | -60.4 | 0 | 0 | 0 | 0 | 113.4 | H201 | H201-C203 PolarHBondContact O-N 3.04Š|
| 204 | Y | 47.1 | Very low | 53.5 | Low | 114 Ų | 114 | 120.4 Ų | 120.4 | 45% | 0.447 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -87.9 | 122.8 | -178 | -164 | -109.6 | 0 | 0 | 0 | 110.4 | I182 Y197 H201 | I182-Y204 HydrophobicContact CD1-CD1 4.12Å; I182-Y204 HydrophobicContact CD1-CD2 3.64Å; I182-Y204 HydrophobicContact CD1-CE2 4.23Å; I182-Y204 HydrophobicContact CD1-CG 3.56Å; I182-Y204 HydrophobicContact CG1-CD2 4.45Å; Y197-Y204 AromaticContact CD1-CD1 3.67Å; Y197-Y204 HydrophobicContact CD1-CD1 3.67Å; Y197-Y204 HydrophobicContact CD1-CE1 4.42Å; Y197-Y204 HydrophobicContact CD1-CG 4.28Å; Y197-Y204 AromaticContact CE1-CD1 3.4Å; Y197-Y204 HydrophobicContact CE1-CD1 3.4Å; Y197-Y204 VanDerWaalsContact CE1-CD1 3.4Å; Y197-Y204 AromaticContact CE1-CE1 3.73Å; Y197-Y204 HydrophobicContact CE1-CE1 3.73Å; Y197-Y204 HydrophobicContact CE1-CG 4.13Å; H201-Y204 PolarHBondContact O-N 3.4Å |
| 205 | R | 42.2 | Very low | 50.8 | Low | 175 Ų | 175 | 122.6 Ų | 122.6 | 66% | 0.66 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 119.3 | 175.3 | -82.8 | -180 | 163 | -170.7 | -9.8 | 109.1 | H207 | R205-H207 PolarHBondContact O-CD2 3.31Å; R205-H207 PolarHBondContact O-N 3.21Å |
| 206 | S | 35.9 | Very low | 48 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 78% | 0.783 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 119.2 | 155.5 | 51.5 | 0 | 0 | 0 | 0 | 108 | S208 | S206-S208 PolarHBondContact O-N 3.06Š|
| 207 | H | 32.2 | Very low | 44.8 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 120.1 | 176.7 | -81.1 | -109.2 | 0 | 0 | 0 | 109.8 | R205 | R205-H207 PolarHBondContact O-CD2 3.31Å; R205-H207 PolarHBondContact O-N 3.21Å |
| 208 | S | 29.6 | Very low | 41.9 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 119.4 | 160.9 | 47.5 | 0 | 0 | 0 | 0 | 107.8 | S206 | S206-S208 PolarHBondContact O-N 3.06Š|
| 209 | I | 29.6 | Very low | 39.3 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 70% | 0.703 | 72% | 0.721 | S | S | * | * | trans | -85 | 111.3 | 175.4 | -63.2 | 171.5 | 0 | 0 | 0 | 107 | ||||
| 210 | E | 22.6 | Very low | 37 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | -101.1 | 117.5 | 168.2 | -70.3 | 170.9 | -178.9 | 0 | 0 | 107.1 | ||||
| 211 | N | 27.1 | Very low | 34.6 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | -121.4 | 138.6 | 169.6 | -103.9 | -9.4 | 0 | 0 | 0 | 108.9 | ||||
| 212 | P | 29.5 | Very low | 32.2 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -91.8 | 133 | -178.6 | 34.8 | -31.8 | 0 | 0 | 0 | 111.8 | ||||
| 213 | G | 25.4 | Very low | 30.5 | Very low | 74 Ų | 74 | 138.5 Ų | 138.5 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | -165.9 | 135 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 214 | V | 23.9 | Very low | 29.4 | Very low | 140 Ų | 140 | 138 Ų | 138 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -76.9 | 124.9 | -175.6 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 215 | I | 26.1 | Very low | 28.7 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | -138.3 | 138.4 | 154.6 | -57.5 | -177.2 | 0 | 0 | 0 | 107.6 | ||||
| 216 | T | 25 | Very low | 28.6 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -82.4 | 165.7 | -175.6 | 41.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 217 | E | 21.6 | Very low | 28.4 | Very low | 191 Ų | 191 | 130.2 Ų | 130.2 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | trans | -39.9 | 126.3 | 177.7 | -62.9 | 157.9 | 172.1 | 0 | 0 | 116.4 | ||||
| 218 | A | 26.3 | Very low | 28.6 | Very low | 89 Ų | 89 | 126.9 Ų | 126.9 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | -171.3 | 126.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 219 | N | 24.3 | Very low | 29.1 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | trans | 38.6 | 99.2 | 153.8 | -58.4 | -14 | 0 | 0 | 0 | 120.5 | ||||
| 220 | L | 27.2 | Very low | 29.7 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 94% | 0.937 | 75% | 0.745 | S | S | * | * | trans | -161 | 131.3 | 140.6 | -109.6 | 160.3 | 0 | 0 | 0 | 109.9 | ||||
| 221 | E | 25.6 | Very low | 30.7 | Very low | 186 Ų | 186 | 124.2 Ų | 124.2 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | trans | -71.5 | 146.3 | -166.5 | -65.4 | -160.4 | 134.9 | 0 | 0 | 114.9 | S223 | E221-S223 PolarHBondContact O-N 3.34Š| ||
| 222 | P | 31.1 | Very low | 31.4 | Very low | 113 Ų | 113 | 118.8 Ų | 118.8 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | trans | -82 | 117 | -174.9 | 31.4 | -34.2 | 0 | 0 | 0 | 113.7 | T224 | P222-T224 PolarHBondContact O-N 2.83Š| ||
| 223 | S | 28.9 | Very low | 32.3 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -42.9 | 134.3 | 164.6 | 179.7 | 0 | 0 | 0 | 0 | 113.3 | E221 D225 | E221-S223 PolarHBondContact O-N 3.34Å; S223-D225 VanDerWaalsContact C-N 3.26Å; S223-D225 PolarHBondContact O-N 2.98Å | ||
| 224 | T | 36.3 | Very low | 33.9 | Very low | 119 Ų | 119 | 121 Ų | 121 | 73% | 0.73 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 6 | -157.3 | 41.4 | 0 | 0 | 0 | 0 | 117.7 | P222 | P222-T224 PolarHBondContact O-N 2.83Š|
| 225 | D | 33.1 | Very low | 35.3 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.6 | -20.8 | 176.6 | -102.6 | -18.7 | 0 | 0 | 0 | 113.7 | S223 | S223-D225 VanDerWaalsContact C-N 3.26Å; S223-D225 PolarHBondContact O-N 2.98Å |
| 226 | A | 38.6 | Very low | 36.4 | Very low | 64 Ų | 64 | 113.8 Ų | 113.8 | 53% | 0.529 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -74.7 | -35.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N228 I229 R230 | A226-N228 VanDerWaalsContact C-N 3.35Å; A226-N228 PolarHBondContact O-N 3.43Å; A226-I229 PolarHBondContact O-N 3.32Å; A226-R230 PolarHBondContact O-N 3.18Å; A226-R230 VanDerWaalsContact O-N 3.14Å |
| 227 | G | 32.3 | Very low | 38 | Very low | 43 Ų | 43 | 111.2 Ų | 111.2 | 44% | 0.443 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -59.9 | -42.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I229 R230 S231 | G227-I229 VanDerWaalsContact C-N 3.29Å; G227-I229 PolarHBondContact O-N 2.8Å; G227-R230 PolarHBondContact O-N 2.72Å; G227-R230 VanDerWaalsContact O-N 3.15Å; G227-S231 WeakPolarHBondContact O-CB 3.39Å; G227-S231 PolarHBondContact O-N 2.81Å; G227-S231 PolarHBondContact O-OG 3.02Å |
| 228 | N | 37.7 | Very low | 40 | Very low | 98 Ų | 98 | 106.3 Ų | 106.3 | 52% | 0.524 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.6 | -30.2 | 178 | -78.8 | -39.9 | 0 | 0 | 0 | 113.8 | A226 S231 S232 | A226-N228 VanDerWaalsContact C-N 3.35Å; A226-N228 PolarHBondContact O-N 3.43Å; N228-S231 PolarHBondContact O-OG 3.16Å; N228-S232 WeakPolarHBondContact O-CB 3.39Å; N228-S232 PolarHBondContact O-N 3.24Å; N228-S232 VanDerWaalsContact O-N 3.14Å; N228-S232 PolarHBondContact O-OG 3.04Å |
| 229 | I | 38.7 | Very low | 41.5 | Very low | 109 Ų | 109 | 105.7 Ų | 105.7 | 56% | 0.559 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -76.6 | -38.3 | 175 | -61.2 | 175.9 | 0 | 0 | 0 | 110.4 | A226 G227 K233 | A226-I229 PolarHBondContact O-N 3.32Å; G227-I229 VanDerWaalsContact C-N 3.29Å; G227-I229 PolarHBondContact O-N 2.8Å; I229-K233 WeakPolarHBondContact O-CB 3.47Å; I229-K233 WeakPolarHBondContact O-CG 3.42Å; I229-K233 PolarHBondContact O-N 3.27Å |
| 230 | R | 43.2 | Very low | 42.8 | Very low | 203 Ų | 203 | 98.9 Ų | 98.9 | 77% | 0.766 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.7 | -45.2 | 179.7 | -146.1 | 173.3 | -170.2 | 166.2 | 0.6 | 111.3 | A226 G227 K233 L234 | A226-R230 PolarHBondContact O-N 3.18Å; A226-R230 VanDerWaalsContact O-N 3.14Å; G227-R230 PolarHBondContact O-N 2.72Å; G227-R230 VanDerWaalsContact O-N 3.15Å; R230-K233 PolarHBondContact O-N 3.43Å; R230-L234 PolarHBondContact O-N 3.11Å |
| 231 | S | 42 | Very low | 44.3 | Very low | 42 Ų | 42 | 92.7 Ų | 92.7 | 29% | 0.294 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 175 | 66.9 | 0 | 0 | 0 | 0 | 112.7 | G227 N228 L234 R235 | G227-S231 WeakPolarHBondContact O-CB 3.39Å; G227-S231 PolarHBondContact O-N 2.81Å; G227-S231 PolarHBondContact O-OG 3.02Å; N228-S231 PolarHBondContact O-OG 3.16Å; S231-L234 PolarHBondContact O-N 3.18Å; S231-R235 WeakPolarHBondContact O-CB 3.4Å; S231-R235 VanDerWaalsContact O-CG 3.3Å; S231-R235 WeakPolarHBondContact O-CG 3.44Å; S231-R235 PolarHBondContact O-N 2.96Å; S231-R235 PolarHBondContact O-NE 2.88Å; S231-R235 PolarHBondContact OG-NH2 3.38Å |
| 232 | S | 43.6 | Very low | 46 | Very low | 34 Ų | 34 | 87 Ų | 87 | 24% | 0.238 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -71.4 | -30.7 | 174.3 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | N228 R235 A236 | N228-S232 WeakPolarHBondContact O-CB 3.39Å; N228-S232 PolarHBondContact O-N 3.24Å; N228-S232 VanDerWaalsContact O-N 3.14Å; N228-S232 PolarHBondContact O-OG 3.04Å; S232-R235 PolarHBondContact OG-NH2 3.39Å; S232-A236 WeakPolarHBondContact O-CB 3.47Å; S232-A236 PolarHBondContact O-N 2.87Å |
| 233 | K | 48.5 | Very low | 47 | Very low | 142 Ų | 142 | 82.3 Ų | 82.3 | 62% | 0.617 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.8 | -45.2 | 169.1 | -80.6 | 179 | 178 | -176.9 | 0 | 111.9 | I229 R230 A236 T237 | I229-K233 WeakPolarHBondContact O-CB 3.47Å; I229-K233 WeakPolarHBondContact O-CG 3.42Å; I229-K233 PolarHBondContact O-N 3.27Å; R230-K233 PolarHBondContact O-N 3.43Å; K233-A236 CarbonylContact O-C 3.34Å; K233-A236 WeakPolarHBondContact O-CB 3.49Å; K233-A236 PolarHBondContact O-N 3.2Å; K233-T237 PolarHBondContact O-N 3.03Å; K233-T237 PolarHBondContact O-OG1 3.06Å |
| 234 | L | 58.1 | Low | 48.4 | Very low | 108 Ų | 108 | 81.4 Ų | 81.4 | 57% | 0.565 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.1 | -50.7 | 178.6 | -133.2 | 79.8 | 0 | 0 | 0 | 111.1 | R230 S231 A236 T237 D238 | R230-L234 PolarHBondContact O-N 3.11Å; S231-L234 PolarHBondContact O-N 3.18Å; L234-A236 PolarHBondContact O-N 3.04Å; L234-T237 WeakPolarHBondContact CA-OG1 3.15Å; L234-T237 PolarHBondContact O-N 3.2Å; L234-T237 PolarHBondContact O-OG1 3.43Å; L234-D238 VanDerWaalsContact O-CG 3.31Å; L234-D238 PolarHBondContact O-N 3.48Å |
| 235 | R | 52.3 | Low | 49.1 | Very low | 138 Ų | 138 | 83.5 Ų | 83.5 | 52% | 0.521 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.9 | -36.3 | 173.6 | -70.8 | -179.6 | -65.7 | -158 | 4.3 | 112.4 | S231 S232 H239 | S231-R235 WeakPolarHBondContact O-CB 3.4Å; S231-R235 VanDerWaalsContact O-CG 3.3Å; S231-R235 WeakPolarHBondContact O-CG 3.44Å; S231-R235 PolarHBondContact O-N 2.96Å; S231-R235 PolarHBondContact O-NE 2.88Å; S231-R235 PolarHBondContact OG-NH2 3.38Å; S232-R235 PolarHBondContact OG-NH2 3.39Å; R235-H239 WeakPolarHBondContact O-CB 3.43Å; R235-H239 PolarHBondContact O-N 3.02Å |
| 236 | A | 49.7 | Very low | 49.8 | Very low | 15 Ų | 15 | 87.5 Ų | 87.5 | 12% | 0.124 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S232 K233 L234 L240 L322 | S232-A236 WeakPolarHBondContact O-CB 3.47Å; S232-A236 PolarHBondContact O-N 2.87Å; K233-A236 CarbonylContact O-C 3.34Å; K233-A236 WeakPolarHBondContact O-CB 3.49Å; K233-A236 PolarHBondContact O-N 3.2Å; L234-A236 PolarHBondContact O-N 3.04Å; A236-L240 WeakPolarHBondContact O-CB 3.42Å; A236-L240 WeakPolarHBondContact O-CD1 3.23Å; A236-L240 WeakPolarHBondContact O-CG 3.48Å; A236-L240 PolarHBondContact O-N 3.22Å; A236-L322 HydrophobicContact CB-CD2 3.92Å |
| 237 | T | 58.6 | Low | 49.9 | Very low | 69 Ų | 69 | 86.5 Ų | 86.5 | 42% | 0.423 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71 | -38.3 | 175.9 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | K233 L234 L240 S241 | K233-T237 PolarHBondContact O-N 3.03Å; K233-T237 PolarHBondContact O-OG1 3.06Å; L234-T237 WeakPolarHBondContact CA-OG1 3.15Å; L234-T237 PolarHBondContact O-N 3.2Å; L234-T237 PolarHBondContact O-OG1 3.43Å; T237-L240 PolarHBondContact O-N 2.99Å; T237-S241 VanDerWaalsContact O-CB 3.25Å; T237-S241 WeakPolarHBondContact O-CB 2.99Å; T237-S241 PolarHBondContact O-N 2.88Å; T237-S241 PolarHBondContact O-OG 3.19Å |
| 238 | D | 63.7 | Low | 50.3 | Low | 88 Ų | 88 | 92.1 Ų | 92.1 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -73.9 | -39.2 | 178.9 | -61.1 | -27.4 | 0 | 0 | 0 | 111.7 | L234 S241 T242 | L234-D238 VanDerWaalsContact O-CG 3.31Å; L234-D238 PolarHBondContact O-N 3.48Å; D238-S241 PolarHBondContact O-N 3.28Å; D238-S241 PolarHBondContact O-OG 3.41Å; D238-T242 WeakPolarHBondContact O-CB 3.47Å; D238-T242 WeakPolarHBondContact O-CG2 3.44Å; D238-T242 PolarHBondContact O-N 3.4Å; D238-T242 PolarHBondContact O-OG1 3.02Å |
| 239 | H | 57.9 | Low | 50.6 | Low | 77 Ų | 77 | 98.7 Ų | 98.7 | 36% | 0.356 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.9 | -34 | 174.8 | -158.8 | 11.9 | 0 | 0 | 0 | 111.7 | R235 T242 I243 | R235-H239 WeakPolarHBondContact O-CB 3.43Å; R235-H239 PolarHBondContact O-N 3.02Å; H239-T242 WeakPolarHBondContact CA-OG1 3.35Å; H239-T242 PolarHBondContact O-OG1 2.98Å; H239-I243 WeakPolarHBondContact O-CB 3.46Å; H239-I243 WeakPolarHBondContact O-CD1 3.12Å; H239-I243 WeakPolarHBondContact O-CG1 3.44Å; H239-I243 PolarHBondContact O-N 3.4Å |
| 240 | L | 52 | Low | 50.5 | Low | 16 Ų | 16 | 104.1 Ų | 104.1 | 8% | 0.084 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -74.5 | -33.8 | 172.1 | -71.4 | 170.5 | 0 | 0 | 0 | 112.7 | A236 T237 I243 I244 M257 L261 L344 | A236-L240 WeakPolarHBondContact O-CB 3.42Å; A236-L240 WeakPolarHBondContact O-CD1 3.23Å; A236-L240 WeakPolarHBondContact O-CG 3.48Å; A236-L240 PolarHBondContact O-N 3.22Å; T237-L240 PolarHBondContact O-N 2.99Å; L240-I243 PolarHBondContact O-N 3.23Å; L240-I244 HydrophobicContact CB-CD1 4.45Å; L240-I244 VanDerWaalsContact O-CB 3.22Å; L240-I244 WeakPolarHBondContact O-CB 3.48Å; L240-I244 WeakPolarHBondContact O-CD1 3.33Å; L240-I244 WeakPolarHBondContact O-CG1 3.39Å; L240-I244 PolarHBondContact O-N 3.5Å; L240-M257 HydrophobicContact CD2-CE 4.37Å; L240-L261 HydrophobicContact CD2-CD1 4.35Å; L240-L344 HydrophobicContact CD1-CD1 3.2Å |
| 241 | S | 59.4 | Low | 50.2 | Low | 48 Ų | 48 | 99.4 Ų | 99.4 | 34% | 0.336 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 175.7 | 76.4 | 0 | 0 | 0 | 0 | 110.8 | T237 D238 I244 K245 | T237-S241 VanDerWaalsContact O-CB 3.25Å; T237-S241 WeakPolarHBondContact O-CB 2.99Å; T237-S241 PolarHBondContact O-N 2.88Å; T237-S241 PolarHBondContact O-OG 3.19Å; D238-S241 PolarHBondContact O-N 3.28Å; D238-S241 PolarHBondContact O-OG 3.41Å; S241-I244 PolarHBondContact O-N 2.79Å; S241-K245 VanDerWaalsContact O-CB 3.32Å; S241-K245 WeakPolarHBondContact O-CB 3.43Å; S241-K245 VanDerWaalsContact O-CG 3.27Å; S241-K245 WeakPolarHBondContact O-CG 3.49Å; S241-K245 PolarHBondContact O-N 2.94Å |
| 242 | T | 60.3 | Low | 50.1 | Low | 67 Ų | 67 | 106.6 Ų | 106.6 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 172.8 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | D238 H239 R246 | D238-T242 WeakPolarHBondContact O-CB 3.47Å; D238-T242 WeakPolarHBondContact O-CG2 3.44Å; D238-T242 PolarHBondContact O-N 3.4Å; D238-T242 PolarHBondContact O-OG1 3.02Å; H239-T242 WeakPolarHBondContact CA-OG1 3.35Å; H239-T242 PolarHBondContact O-OG1 2.98Å; T242-R246 WeakPolarHBondContact O-CG 3.45Å; T242-R246 PolarHBondContact O-N 2.85Å; T242-R246 VanDerWaalsContact O-N 3.11Å |
| 243 | I | 52.5 | Low | 49.9 | Very low | 15 Ų | 15 | 111.3 Ų | 111.3 | 8% | 0.077 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -70.9 | -36.4 | 175.4 | -62.8 | 164.5 | 0 | 0 | 0 | 111.6 | H239 L240 R246 G247 M257 L261 | H239-I243 WeakPolarHBondContact O-CB 3.46Å; H239-I243 WeakPolarHBondContact O-CD1 3.12Å; H239-I243 WeakPolarHBondContact O-CG1 3.44Å; H239-I243 PolarHBondContact O-N 3.4Å; L240-I243 PolarHBondContact O-N 3.23Å; I243-R246 CarbonylContact O-C 3.44Å; I243-R246 PolarHBondContact O-N 3.26Å; I243-G247 PolarHBondContact O-N 3.3Å; I243-M257 HydrophobicContact CB-CE 4.4Å; I243-M257 HydrophobicContact CG2-CE 3.55Å; I243-M257 HydrophobicContact CG2-CG 4.03Å; I243-L261 HydrophobicContact CD1-CD2 3.88Å |
| 244 | I | 57.9 | Low | 50 | Low | 85 Ų | 85 | 109.3 Ų | 109.3 | 44% | 0.436 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.8 | -43.9 | 176.9 | -71.4 | 164.2 | 0 | 0 | 0 | 110.6 | L240 S241 R246 G247 Q248 M257 | L240-I244 HydrophobicContact CB-CD1 4.45Å; L240-I244 VanDerWaalsContact O-CB 3.22Å; L240-I244 WeakPolarHBondContact O-CB 3.48Å; L240-I244 WeakPolarHBondContact O-CD1 3.33Å; L240-I244 WeakPolarHBondContact O-CG1 3.39Å; L240-I244 PolarHBondContact O-N 3.5Å; S241-I244 PolarHBondContact O-N 2.79Å; I244-R246 VanDerWaalsContact C-N 3.26Å; I244-R246 PolarHBondContact O-N 3.41Å; I244-G247 PolarHBondContact O-N 3.19Å; I244-Q248 HydrophobicContact CG2-CG 4.49Å; I244-Q248 PolarHBondContact O-N 3.2Å; I244-M257 HydrophobicContact CG1-CE 4.44Å |
| 245 | K | 51.9 | Low | 49.4 | Very low | 163 Ų | 163 | 110.2 Ų | 110.2 | 71% | 0.709 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -56.4 | -39.3 | 171.9 | -76.7 | 178 | 177 | -174.9 | 0 | 111.6 | S241 | S241-K245 VanDerWaalsContact O-CB 3.32Å; S241-K245 WeakPolarHBondContact O-CB 3.43Å; S241-K245 VanDerWaalsContact O-CG 3.27Å; S241-K245 WeakPolarHBondContact O-CG 3.49Å; S241-K245 PolarHBondContact O-N 2.94Å |
| 246 | R | 46.4 | Very low | 49.8 | Very low | 214 Ų | 214 | 107 Ų | 107 | 81% | 0.808 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.8 | -32.4 | 172.3 | -72.5 | 177.1 | 175.6 | 179.4 | -0.8 | 113.4 | T242 I243 I244 | T242-R246 WeakPolarHBondContact O-CG 3.45Å; T242-R246 PolarHBondContact O-N 2.85Å; T242-R246 VanDerWaalsContact O-N 3.11Å; I243-R246 CarbonylContact O-C 3.44Å; I243-R246 PolarHBondContact O-N 3.26Å; I244-R246 VanDerWaalsContact C-N 3.26Å; I244-R246 PolarHBondContact O-N 3.41Å |
| 247 | G | 41.1 | Very low | 50.4 | Low | 42 Ų | 42 | 109 Ų | 109 | 43% | 0.433 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -77.8 | -29.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I243 I244 R249 R250 | I243-G247 PolarHBondContact O-N 3.3Å; I244-G247 PolarHBondContact O-N 3.19Å; G247-R249 PolarHBondContact O-N 2.92Å; G247-R250 PolarHBondContact O-N 2.6Å; G247-R250 VanDerWaalsContact O-N 3.15Å |
| 248 | Q | 41.5 | Very low | 51.1 | Low | 162 Ų | 162 | 106.7 Ų | 106.7 | 76% | 0.757 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24 | -179.2 | -79.6 | -179.1 | -21.8 | 0 | 0 | 113.8 | I244 | I244-Q248 HydrophobicContact CG2-CG 4.49Å; I244-Q248 PolarHBondContact O-N 3.2Å |
| 249 | R | 42.9 | Very low | 51.8 | Low | 236 Ų | 236 | 105.1 Ų | 105.1 | 89% | 0.891 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -3.7 | 176.8 | -72.1 | -169.3 | 176.5 | -174.6 | -0.5 | 115.3 | G247 | G247-R249 PolarHBondContact O-N 2.92Š|
| 250 | R | 36.5 | Very low | 52.8 | Low | 223 Ų | 223 | 107.4 Ų | 107.4 | 84% | 0.842 | 53% | 0.533 | S | S | * | . | trans | -139.4 | 91 | 178.6 | -68.9 | -171.6 | 178.2 | 175.9 | 0 | 112.8 | G247 | G247-R250 PolarHBondContact O-N 2.6Å; G247-R250 VanDerWaalsContact O-N 3.15Å | ||
| 251 | S | 36.8 | Very low | 54.4 | Low | 104 Ų | 104 | 106.7 Ų | 106.7 | 73% | 0.727 | 53% | 0.529 | S | S | * | . | trans | -62.9 | 153.2 | 170.4 | 80.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 252 | K | 40.3 | Very low | 55.7 | Low | 192 Ų | 192 | 105 Ų | 105 | 84% | 0.835 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 69.3 | 60.6 | 174.3 | -51.1 | 171.7 | -174.3 | 169.8 | 0 | 117.2 | ||
| 253 | N | 39.3 | Very low | 56.9 | Low | 134 Ų | 134 | 108.5 Ų | 108.5 | 72% | 0.717 | 52% | 0.522 | S | S | * | . | trans | -168.5 | 81.2 | 142.1 | -100.4 | -32.2 | 0 | 0 | 0 | 113.9 | L255 S256 | N253-L255 PolarHBondContact O-N 2.73Å; N253-L255 VanDerWaalsContact O-N 3.07Å; N253-S256 PolarHBondContact O-OG 2.99Å | ||
| 254 | S | 50.3 | Low | 58.1 | Low | 100 Ų | 100 | 113.3 Ų | 113.3 | 70% | 0.699 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -3.5 | -179.9 | 68.9 | 0 | 0 | 0 | 0 | 115.3 | L258 | S254-L258 WeakPolarHBondContact O-CD1 2.9Š|
| 255 | L | 46.1 | Very low | 59 | Low | 126 Ų | 126 | 110.8 Ų | 110.8 | 66% | 0.66 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -25.5 | -175.1 | -130 | 81.6 | 0 | 0 | 0 | 114.1 | N253 | N253-L255 PolarHBondContact O-N 2.73Å; N253-L255 VanDerWaalsContact O-N 3.07Å |
| 256 | S | 61.3 | Low | 59.1 | Low | 72 Ų | 72 | 108.2 Ų | 108.2 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -36.6 | 177 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | N253 L258 D259 | N253-S256 PolarHBondContact O-OG 2.99Å; S256-L258 PolarHBondContact O-N 2.79Å; S256-D259 PolarHBondContact O-N 3.2Å |
| 257 | M | 61.2 | Low | 59.8 | Low | 56 Ų | 56 | 100.4 Ų | 100.4 | 28% | 0.276 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55.6 | -34.7 | 178.8 | -163.8 | -161.6 | -173.8 | 0 | 0 | 113 | L240 I243 I244 D259 Q260 | L240-M257 HydrophobicContact CD2-CE 4.37Å; I243-M257 HydrophobicContact CB-CE 4.4Å; I243-M257 HydrophobicContact CG2-CE 3.55Å; I243-M257 HydrophobicContact CG2-CG 4.03Å; I244-M257 HydrophobicContact CG1-CE 4.44Å; M257-D259 VanDerWaalsContact C-N 3.29Å; M257-D259 PolarHBondContact O-N 3.2Å; M257-Q260 PolarHBondContact O-N 3.16Å |
| 258 | L | 73.4 | Confident | 59.8 | Low | 21 Ų | 21 | 107 Ų | 107 | 11% | 0.11 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -67.3 | -26.7 | 176.4 | -89.7 | 72.3 | 0 | 0 | 0 | 113.6 | S254 S256 I262 K334 V337 L338 I341 | S254-L258 WeakPolarHBondContact O-CD1 2.9Å; S256-L258 PolarHBondContact O-N 2.79Å; L258-I262 WeakPolarHBondContact O-CD1 3.48Å; L258-I262 WeakPolarHBondContact O-CG1 3.44Å; L258-K334 HydrophobicContact CD2-CB 4.37Å; L258-V337 HydrophobicContact CG-CG1 4.46Å; L258-L338 HydrophobicContact CD1-CD2 4.45Å; L258-L338 HydrophobicContact CD2-CD1 4.04Å; L258-L338 HydrophobicContact CD2-CD2 3.92Å; L258-L338 HydrophobicContact CD2-CG 3.74Å; L258-I341 HydrophobicContact CD1-CD1 4.31Å |
| 259 | D | 79.5 | Confident | 59.9 | Low | 54 Ų | 54 | 106.1 Ų | 106.1 | 29% | 0.289 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -82.1 | -23.3 | -178.4 | -83.7 | -5.9 | 0 | 0 | 0 | 112.7 | S256 M257 L261 I262 K330 K334 | S256-D259 PolarHBondContact O-N 3.2Å; M257-D259 VanDerWaalsContact C-N 3.29Å; M257-D259 PolarHBondContact O-N 3.2Å; D259-L261 VanDerWaalsContact C-N 3.28Å; D259-L261 PolarHBondContact O-N 3.18Å; D259-I262 PolarHBondContact O-N 2.84Å; D259-K330 VanDerWaalsContact CG-CE 3.42Å; D259-K330 WeakPolarHBondContact OD1-CE 3.19Å; D259-K330 IonicContact OD1-NZ 3.72Å; D259-K330 PolarHBondContact OD1-NZ 2.75Å; D259-K330 IonicContact OD2-NZ 3.13Å; D259-K330 PolarHBondContact OD2-NZ 2.9Å; D259-K334 WeakPolarHBondContact OD1-CE 3.45Å; D259-K334 IonicContact OD1-NZ 3.7Å; D259-K334 PolarHBondContact OD1-NZ 3.34Å; D259-K334 IonicContact OD2-NZ 2.6Å; D259-K334 PolarHBondContact OD2-NZ 3.11Å; D259-K334 VanDerWaalsContact OD2-NZ 3.13Å |
| 260 | Q | 79.3 | Confident | 59.9 | Low | 126 Ų | 126 | 98.1 Ų | 98.1 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.7 | -25.2 | 171.3 | -66.6 | 176.4 | -19.8 | 0 | 0 | 112.6 | M257 I262 | M257-Q260 PolarHBondContact O-N 3.16Å; Q260-I262 VanDerWaalsContact C-N 3.3Å; Q260-I262 PolarHBondContact O-N 2.55Å |
| 261 | L | 85.4 | Confident | 60.3 | Low | 0 Ų | 0 | 93.7 Ų | 93.7 | 0% | 0 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 10.4 | 179.7 | -63.9 | 172.1 | 0 | 0 | 0 | 113.5 | L240 I243 D259 V321 L322 V337 I341 | L240-L261 HydrophobicContact CD2-CD1 4.35Å; I243-L261 HydrophobicContact CD1-CD2 3.88Å; D259-L261 VanDerWaalsContact C-N 3.28Å; D259-L261 PolarHBondContact O-N 3.18Å; L261-V321 PolarHBondContact O-N 3.17Å; L261-V321 VanDerWaalsContact O-N 3.09Å; L261-L322 HydrophobicContact CD1-CD1 4.33Å; L261-L322 HydrophobicContact CD2-CD1 4.47Å; L261-L322 HydrophobicContact CD2-CD2 4.07Å; L261-L322 HydrophobicContact CD2-CG 4.24Å; L261-V337 HydrophobicContact CB-CG1 3.79Å; L261-V337 HydrophobicContact CB-CG2 4.08Å; L261-V337 HydrophobicContact CD1-CG1 3.63Å; L261-V337 HydrophobicContact CG-CG1 4.38Å; L261-I341 HydrophobicContact CD1-CD1 4.28Å |
| 262 | I | 86.5 | Confident | 60.8 | Low | 12 Ų | 12 | 93.4 Ų | 93.4 | 6% | 0.062 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 102.7 | -179.7 | -56.3 | 167.5 | 0 | 0 | 0 | 109.4 | L258 D259 Q260 Y318 E319 K330 A333 K334 V337 | L258-I262 WeakPolarHBondContact O-CD1 3.48Å; L258-I262 WeakPolarHBondContact O-CG1 3.44Å; D259-I262 PolarHBondContact O-N 2.84Å; Q260-I262 VanDerWaalsContact C-N 3.3Å; Q260-I262 PolarHBondContact O-N 2.55Å; I262-Y318 HydrophobicContact CG2-CD1 4.11Å; I262-E319 CarbonylContact C-O 3.59Å; I262-E319 VanDerWaalsContact CA-O 3.3Å; I262-E319 WeakPolarHBondContact CA-O 3.5Å; I262-K330 HydrophobicContact CD1-CG 4.36Å; I262-K330 HydrophobicContact CG2-CG 4.46Å; I262-A333 HydrophobicContact CD1-CB 3.87Å; I262-A333 HydrophobicContact CG1-CB 4.02Å; I262-A333 HydrophobicContact CG2-CB 3.76Å; I262-K334 HydrophobicContact CD1-CB 4.17Å; I262-K334 HydrophobicContact CD1-CG 3.44Å; I262-K334 VanDerWaalsContact CD1-CG 3.44Å; I262-V337 HydrophobicContact CD1-CG2 4.46Å; I262-V337 HydrophobicContact CG1-CG2 3.86Å |
| 263 | Y | 85.5 | Confident | 60.7 | Low | 141 Ų | 141 | 91.8 Ų | 91.8 | 55% | 0.553 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 135.9 | 171.8 | -167.7 | -112.5 | 0 | 0 | 0 | 110 | I265 Y318 E319 | Y263-I265 HydrophobicContact CD1-CG1 3.86Å; Y263-I265 HydrophobicContact CE1-CG1 4.24Å; Y263-Y318 CarbonylContact O-C 3.58Å; Y263-Y318 WeakPolarHBondContact O-CA 3.49Å; Y263-E319 PolarHBondContact N-O 2.93Å; Y263-E319 PolarHBondContact O-N 3.04Å |
| 264 | Q | 77.7 | Confident | 60.6 | Low | 117 Ų | 117 | 91 Ų | 91 | 55% | 0.547 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 109.9 | 168.8 | -176.7 | 174.5 | -50.1 | 0 | 0 | 108.1 | S317 Y318 | Q264-S317 CarbonylContact C-O 3.59Å; Q264-S317 WeakPolarHBondContact CA-O 3.33Å; Q264-Y318 HydrophobicContact CB-CD1 4.26Å; Q264-Y318 HydrophobicContact CB-CE1 4.15Å; Q264-Y318 HydrophobicContact CG-CD1 4.25Å; Q264-Y318 HydrophobicContact CG-CE1 3.85Å; Q264-Y318 VanDerWaalsContact OE1-CE1 3.24Å; Q264-Y318 PolarHBondContact OE1-OH 3.42Å |
| 265 | I | 75.9 | Confident | 59.9 | Low | 31 Ų | 31 | 93.7 Ų | 93.7 | 16% | 0.159 | 49% | 0.486 | C | S | . | . | trans | -72.8 | 128.8 | 178.3 | -53.3 | 171.8 | 0 | 0 | 0 | 107.9 | Y263 V267 S317 E319 R326 | Y263-I265 HydrophobicContact CD1-CG1 3.86Å; Y263-I265 HydrophobicContact CE1-CG1 4.24Å; I265-V267 PolarHBondContact O-N 2.75Å; I265-S317 PolarHBondContact N-O 2.89Å; I265-E319 HydrophobicContact CD1-CB 4.12Å; I265-E319 WeakPolarHBondContact CD1-OE2 3.4Å; I265-E319 HydrophobicContact CG1-CB 4.37Å; I265-R326 HydrophobicContact CD1-CG 4.33Å; I265-R326 VanDerWaalsContact CD1-CZ 3.43Å; I265-R326 VanDerWaalsContact CD1-NH2 3.26Å | ||
| 266 | P | 53.6 | Low | 59.5 | Low | 109 Ų | 109 | 92.4 Ų | 92.4 | 71% | 0.708 | 49% | 0.488 | S | S | * | . | trans | -57.2 | 122.3 | 165.7 | -21.6 | 33.6 | 0 | 0 | 0 | 109 | ||||
| 267 | V | 61.3 | Low | 58.1 | Low | 50 Ų | 50 | 97.7 Ų | 97.7 | 30% | 0.303 | 50% | 0.504 | S | S | . | . | trans | -121 | 125.7 | 175.9 | 174.6 | 0 | 0 | 0 | 0 | 106 | I265 Q269 N315 | I265-V267 PolarHBondContact O-N 2.75Å; V267-Q269 PolarHBondContact O-N 3.41Å; V267-N315 HydrophobicContact CG1-CB 3.88Å; V267-N315 WeakPolarHBondContact CG1-ND2 3.48Å | ||
| 268 | E | 41.8 | Very low | 56.7 | Low | 182 Ų | 182 | 99.5 Ų | 99.5 | 85% | 0.85 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -46.7 | 125.9 | 172.7 | -68.7 | 179.5 | 164 | 0 | 0 | 110 | P270 | E268-P270 WeakPolarHBondContact O-CD 3.46Š|
| 269 | Q | 43.2 | Very low | 54.9 | Low | 142 Ų | 142 | 105.9 Ų | 105.9 | 66% | 0.664 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 120.8 | -175.5 | -56.9 | -160.2 | 57.7 | 0 | 0 | 107.7 | V267 V271 | V267-Q269 PolarHBondContact O-N 3.41Å; Q269-V271 PolarHBondContact O-N 3Å |
| 270 | P | 43.1 | Very low | 52.6 | Low | 69 Ų | 69 | 113.7 Ų | 113.7 | 45% | 0.448 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -61 | 119.4 | 171.5 | 25.1 | -32.4 | 0 | 0 | 0 | 107.9 | E268 I272 | E268-P270 WeakPolarHBondContact O-CD 3.46Å; P270-I272 PolarHBondContact O-N 2.89Å; P270-I272 VanDerWaalsContact O-N 3.11Å |
| 271 | V | 45.9 | Very low | 50.6 | Low | 130 Ų | 130 | 112.3 Ų | 112.3 | 79% | 0.788 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 117.7 | -179.3 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | Q269 Q273 | Q269-V271 PolarHBondContact O-N 3Å; V271-Q273 HydrophobicContact CG1-CG 4.4Å; V271-Q273 PolarHBondContact O-N 3.24Å |
| 272 | I | 47.3 | Very low | 48.1 | Very low | 97 Ų | 97 | 120.6 Ų | 120.6 | 50% | 0.497 | 64% | 0.641 | S | S | . | * | trans | -84.2 | 93.5 | 174 | -56.9 | 177.8 | 0 | 0 | 0 | 105.8 | P270 D274 | P270-I272 PolarHBondContact O-N 2.89Å; P270-I272 VanDerWaalsContact O-N 3.11Å; I272-D274 PolarHBondContact O-N 3.06Å; I272-D274 VanDerWaalsContact O-N 3.13Å | ||
| 273 | Q | 37.1 | Very low | 46.1 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | trans | -63.9 | 111.9 | 167.8 | -74.2 | 177.3 | -20 | 0 | 0 | 108.4 | V271 N275 | V271-Q273 HydrophobicContact CG1-CG 4.4Å; V271-Q273 PolarHBondContact O-N 3.24Å; Q273-N275 PolarHBondContact O-N 3.1Å | ||
| 274 | D | 37.3 | Very low | 44.1 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | trans | -75 | 101.3 | 171.1 | -91.4 | -33.6 | 0 | 0 | 0 | 108.5 | I272 S276 | I272-D274 PolarHBondContact O-N 3.06Å; I272-D274 VanDerWaalsContact O-N 3.13Å; D274-S276 PolarHBondContact O-N 2.94Å | ||
| 275 | N | 36.6 | Very low | 42.2 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 83% | 0.829 | 71% | 0.714 | S | S | * | * | trans | -70.7 | 76.7 | 171 | -73.6 | 13 | 0 | 0 | 0 | 109.9 | Q273 | Q273-N275 PolarHBondContact O-N 3.1Š| ||
| 276 | S | 36 | Very low | 40.5 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | -124.2 | 44.3 | 174.9 | 63.5 | 0 | 0 | 0 | 0 | 112.7 | D274 | D274-S276 PolarHBondContact O-N 2.94Š| ||
| 277 | H | 32.6 | Very low | 40.2 | Very low | 183 Ų | 183 | 152.9 Ų | 152.9 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | trans | -98.3 | 140.6 | 163.5 | -80.7 | -90.4 | 0 | 0 | 0 | 111.2 | ||||
| 278 | A | 31.2 | Very low | 40.2 | Very low | 93 Ų | 93 | 156.2 Ų | 156.2 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 58.2 | 96.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 279 | I | 35.6 | Very low | 41.7 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | 177.9 | 126.9 | 96.2 | -84.3 | 159.3 | 0 | 0 | 0 | 108.1 | S281 | I279-S281 PolarHBondContact O-N 2.92Š| |||
| 280 | K | 31.1 | Very low | 43.6 | Very low | 218 Ų | 218 | 147.4 Ų | 147.4 | 95% | 0.948 | 74% | 0.737 | S | S | * | * | trans | -80.6 | 105.2 | 177.3 | -65.7 | 175.1 | -179.9 | 174.9 | 0 | 109.6 | ||||
| 281 | S | 38.5 | Very low | 45.7 | Very low | 97 Ų | 97 | 148.5 Ų | 148.5 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | -152.7 | 138.3 | 159.9 | 65.2 | 0 | 0 | 0 | 0 | 113.6 | I279 R283 | I279-S281 PolarHBondContact O-N 2.92Å; S281-R283 PolarHBondContact O-N 3.23Å; S281-R283 VanDerWaalsContact O-N 3.14Å | ||
| 282 | N | 33.1 | Very low | 47.5 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 93% | 0.93 | 70% | 0.701 | S | S | * | * | trans | -85.4 | 78.3 | -167.3 | -85.7 | -29.4 | 0 | 0 | 0 | 113.6 | ||||
| 283 | R | 43.2 | Very low | 49.1 | Very low | 237 Ų | 237 | 141.8 Ų | 141.8 | 89% | 0.894 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -136.2 | 105.7 | 161.9 | -71.3 | -169.9 | 174.4 | 167.1 | -0.6 | 112.8 | S281 K285 | S281-R283 PolarHBondContact O-N 3.23Å; S281-R283 VanDerWaalsContact O-N 3.14Å; R283-K285 PolarHBondContact O-N 3.24Å; R283-K285 VanDerWaalsContact O-N 3.15Å |
| 284 | K | 43.9 | Very low | 51.2 | Low | 214 Ų | 214 | 138.5 Ų | 138.5 | 93% | 0.93 | 70% | 0.697 | S | S | * | * | trans | 10.4 | 83.9 | 168.1 | -68.6 | 176.4 | 179.3 | 172.4 | 0 | 115.1 | R286 | K284-R286 PolarHBondContact O-N 3.24Š| ||
| 285 | K | 38.9 | Very low | 53.5 | Low | 202 Ų | 202 | 134.5 Ų | 134.5 | 88% | 0.878 | 68% | 0.678 | S | S | * | * | trans | -51 | 106.2 | -173.6 | -69.6 | 179.8 | 178 | 176.9 | 0 | 113.2 | R283 K287 | R283-K285 PolarHBondContact O-N 3.24Å; R283-K285 VanDerWaalsContact O-N 3.15Å; K285-K287 PolarHBondContact O-N 3.13Å | ||
| 286 | R | 39.5 | Very low | 55.7 | Low | 238 Ų | 238 | 133.4 Ų | 133.4 | 90% | 0.898 | 67% | 0.668 | S | S | * | * | trans | -62.3 | 115.8 | 156.2 | -70.1 | 177.8 | 175.1 | 172.6 | 0.2 | 107 | K284 T288 | K284-R286 PolarHBondContact O-N 3.24Å; R286-T288 PolarHBondContact O-N 2.97Å | ||
| 287 | K | 47.3 | Very low | 58 | Low | 196 Ų | 196 | 134.4 Ų | 134.4 | 85% | 0.852 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 117 | 176.6 | -68.9 | -169.4 | 176.3 | -169.2 | 0 | 109.3 | K285 | K285-K287 PolarHBondContact O-N 3.13Š|
| 288 | T | 60.5 | Low | 60.5 | Low | 121 Ų | 121 | 132.6 Ų | 132.6 | 74% | 0.742 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -62 | 132.1 | -179.4 | 35 | 0 | 0 | 0 | 0 | 109.3 | R286 Y290 | R286-T288 PolarHBondContact O-N 2.97Å; T288-Y290 PolarHBondContact O-N 3.19Å |
| 289 | P | 73.1 | Confident | 63.2 | Low | 54 Ų | 54 | 130 Ų | 130 | 35% | 0.351 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 121.9 | -176.2 | 29.7 | -33.8 | 0 | 0 | 0 | 110.7 | L291 K298 F299 | P289-L291 VanDerWaalsContact O-CD1 3.31Å; P289-L291 WeakPolarHBondContact O-CD1 3.44Å; P289-L291 PolarHBondContact O-N 3.32Å; P289-K298 HydrophobicContact CB-CB 4.02Å; P289-K298 HydrophobicContact CB-CG 4.34Å; P289-K298 HydrophobicContact CG-CB 4.19Å; P289-K298 HydrophobicContact CG-CD 3.94Å; P289-K298 HydrophobicContact CG-CG 4.03Å; P289-F299 CarbonylContact C-O 3.58Å; P289-F299 WeakPolarHBondContact CA-O 3.14Å |
| 290 | Y | 84.8 | Confident | 65.6 | Low | 84 Ų | 84 | 128.5 Ų | 128.5 | 33% | 0.329 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -50.6 | 116.2 | 178.4 | -56.7 | -86.7 | 0 | 0 | 0 | 111.8 | T288 F299 P302 | T288-Y290 PolarHBondContact O-N 3.19Å; Y290-F299 PolarHBondContact N-O 3.22Å; Y290-F299 PolarHBondContact O-N 2.93Å; Y290-P302 HydrophobicContact CD1-CG 4.31Å; Y290-P302 HydrophobicContact CD2-CG 4.31Å; Y290-P302 HydrophobicContact CE1-CG 3.8Å; Y290-P302 VanDerWaalsContact CE2-CD 3.47Å; Y290-P302 HydrophobicContact CE2-CG 3.8Å |
| 291 | L | 86 | Confident | 68.3 | Low | 92 Ų | 92 | 124.1 Ų | 124.1 | 48% | 0.482 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.5 | 145.3 | 176.3 | -70.8 | 96.8 | 0 | 0 | 0 | 110.9 | P289 H296 K297 K298 L305 | P289-L291 VanDerWaalsContact O-CD1 3.31Å; P289-L291 WeakPolarHBondContact O-CD1 3.44Å; P289-L291 PolarHBondContact O-N 3.32Å; L291-H296 HydrophobicContact CD2-CB 4.34Å; L291-K297 WeakPolarHBondContact CA-O 3.48Å; L291-K298 HydrophobicContact CD1-CG 4.46Å; L291-K298 HydrophobicContact CD2-CG 4.2Å; L291-K298 HydrophobicContact CG-CG 3.89Å; L291-L305 WeakPolarHBondContact O-CD2 3.45Å |
| 292 | C | 83.9 | Confident | 70.5 | Confident | 0 Ų | 0 | 122.2 Ų | 122.2 | 0% | 0 | 59% | 0.585 | C | S | . | * | P | Polyproline II helix | trans | -74 | 126.9 | 161.8 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | V294 C295 H296 K297 F299 L305 H308 M309 H312 | C292-V294 VanDerWaalsContact C-N 3.28Å; C292-V294 PolarHBondContact O-N 2.85Å; C292-V294 PolarHBondContact SG-N 3.13Å; C292-V294 VanDerWaalsContact SG-N 3.36Å; C292-C295 PolarHBondContact SG-N 2.91Å; C292-C295 VanDerWaalsContact SG-N 3.41Å; C292-H296 WeakPolarHBondContact O-CA 3.49Å; C292-H296 PolarHBondContact O-N 3.42Å; C292-H296 PolarHBondContact O-ND1 3Å; C292-K297 PolarHBondContact N-O 2.71Å; C292-F299 HydrophobicContact CB-CE2 4.19Å; C292-L305 HydrophobicContact CB-CD1 3.78Å; C292-H308 PolarHBondContact SG-NE2 2.87Å; C292-M309 HydrophobicContact CB-SD 4.39Å; C292-H312 VanDerWaalsContact SG-CD2 3.5Å; C292-H312 PolarHBondContact SG-NE2 2.56Å |
| 293 | S | 81.8 | Confident | 72.8 | Confident | 87 Ų | 87 | 117.8 Ų | 117.8 | 61% | 0.608 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -38.8 | 172 | 47.6 | 0 | 0 | 0 | 0 | 112.8 | H296 M309 | S293-H296 PolarHBondContact O-CE1 3.28Å; S293-M309 WeakPolarHBondContact OG-CE 3.46Å |
| 294 | V | 79.4 | Confident | 74.8 | Confident | 89 Ų | 89 | 109.4 Ų | 109.4 | 54% | 0.539 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -22.2 | -171.6 | -168.2 | 0 | 0 | 0 | 0 | 114.5 | C292 H312 | C292-V294 VanDerWaalsContact C-N 3.28Å; C292-V294 PolarHBondContact O-N 2.85Å; C292-V294 PolarHBondContact SG-N 3.13Å; C292-V294 VanDerWaalsContact SG-N 3.36Å; V294-H312 HydrophobicContact CB-CB 4.36Å; V294-H312 HydrophobicContact CG1-CB 4.29Å; V294-H312 WeakPolarHBondContact CG1-ND1 3.36Å; V294-H312 HydrophobicContact CG2-CB 4.3Å |
| 295 | C | 86.4 | Confident | 76.9 | Confident | 35 Ų | 35 | 99.7 Ų | 99.7 | 24% | 0.236 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -145.5 | 15 | 176.7 | 80.8 | 0 | 0 | 0 | 0 | 115.8 | C292 K297 H308 H312 | C292-C295 PolarHBondContact SG-N 2.91Å; C292-C295 VanDerWaalsContact SG-N 3.41Å; C295-K297 PolarHBondContact O-N 3.42Å; C295-H308 VanDerWaalsContact SG-CE1 3.5Å; C295-H308 PolarHBondContact SG-NE2 2.76Å; C295-H312 WeakPolarHBondContact CB-CE1 3.37Å; C295-H312 WeakPolarHBondContact CB-NE2 3.45Å; C295-H312 PolarHBondContact SG-CE1 2.73Å; C295-H312 PolarHBondContact SG-NE2 3.41Å |
| 296 | H | 82.8 | Confident | 78.9 | Confident | 132 Ų | 132 | 95.1 Ų | 95.1 | 61% | 0.611 | 48% | 0.478 | S | S | * | . | trans | 53.8 | 15.4 | 172.8 | -45.4 | -55.8 | 0 | 0 | 0 | 116.3 | L291 C292 S293 K298 | L291-H296 HydrophobicContact CD2-CB 4.34Å; C292-H296 WeakPolarHBondContact O-CA 3.49Å; C292-H296 PolarHBondContact O-N 3.42Å; C292-H296 PolarHBondContact O-ND1 3Å; S293-H296 PolarHBondContact O-CE1 3.28Å; H296-K298 PolarHBondContact O-N 3.39Å | ||
| 297 | K | 84.2 | Confident | 80.8 | Confident | 121 Ų | 121 | 90.2 Ų | 90.2 | 53% | 0.526 | 46% | 0.46 | S | S | . | . | trans | -65.6 | 130.3 | 172.8 | -77 | 174.2 | -170.8 | 146.6 | 0 | 109.9 | L291 C292 C295 F299 | L291-K297 WeakPolarHBondContact CA-O 3.48Å; C292-K297 PolarHBondContact N-O 2.71Å; C295-K297 PolarHBondContact O-N 3.42Å; K297-F299 HydrophobicContact CB-CE2 3.53Å; K297-F299 HydrophobicContact CB-CZ 3.75Å; K297-F299 WeakPolarHBondContact O-CD2 3.49Å; K297-F299 WeakPolarHBondContact O-CE2 3.43Å | ||
| 298 | K | 85 | Confident | 82.6 | Confident | 145 Ų | 145 | 81.6 Ų | 81.6 | 63% | 0.63 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 125.9 | 179.2 | -75.9 | 172.8 | -179.3 | -178.8 | 0 | 110.7 | P289 L291 H296 | P289-K298 HydrophobicContact CB-CB 4.02Å; P289-K298 HydrophobicContact CB-CG 4.34Å; P289-K298 HydrophobicContact CG-CB 4.19Å; P289-K298 HydrophobicContact CG-CD 3.94Å; P289-K298 HydrophobicContact CG-CG 4.03Å; L291-K298 HydrophobicContact CD1-CG 4.46Å; L291-K298 HydrophobicContact CD2-CG 4.2Å; L291-K298 HydrophobicContact CG-CG 3.89Å; H296-K298 PolarHBondContact O-N 3.39Å |
| 299 | F | 88.6 | Confident | 83.4 | Confident | 37 Ų | 37 | 77.3 Ų | 77.3 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141.3 | 179.1 | -65.1 | -82.9 | 0 | 0 | 0 | 111.3 | P289 Y290 C292 K297 K301 L304 L305 H308 | P289-F299 CarbonylContact C-O 3.58Å; P289-F299 WeakPolarHBondContact CA-O 3.14Å; Y290-F299 PolarHBondContact N-O 3.22Å; Y290-F299 PolarHBondContact O-N 2.93Å; C292-F299 HydrophobicContact CB-CE2 4.19Å; K297-F299 HydrophobicContact CB-CE2 3.53Å; K297-F299 HydrophobicContact CB-CZ 3.75Å; K297-F299 WeakPolarHBondContact O-CD2 3.49Å; K297-F299 WeakPolarHBondContact O-CE2 3.43Å; F299-K301 VanDerWaalsContact C-N 3.31Å; F299-K301 PolarHBondContact O-N 3.09Å; F299-L304 HydrophobicContact CB-CB 4.25Å; F299-L304 HydrophobicContact CD1-CB 3.87Å; F299-L304 HydrophobicContact CG-CB 4.42Å; F299-L305 HydrophobicContact CB-CB 4.1Å; F299-L305 HydrophobicContact CD2-CB 4.07Å; F299-L305 HydrophobicContact CD2-CD1 3.77Å; F299-L305 HydrophobicContact CE2-CD1 4.07Å; F299-L305 HydrophobicContact CG-CB 4.16Å; F299-H308 HydrophobicContact CE1-CB 3.72Å; F299-H308 AromaticContact CE1-CG 3.99Å; F299-H308 HydrophobicContact CE2-CB 3.91Å; F299-H308 AromaticContact CE2-CD2 3.14Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.17Å; F299-H308 AromaticContact CE2-CG 3.59Å; F299-H308 AromaticContact CE2-NE2 3.86Å; F299-H308 HydrophobicContact CZ-CB 3.39Å; F299-H308 AromaticContact CZ-CD2 3.22Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.2Å; F299-H308 AromaticContact CZ-CG 3.16Å; F299-H308 AromaticContact CZ-ND1 3.85Å; F299-H308 AromaticContact CZ-NE2 3.88Å |
| 300 | V | 86.1 | Confident | 83.7 | Confident | 126 Ų | 126 | 76.1 Ų | 76.1 | 76% | 0.764 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -79.9 | -14.3 | -177.1 | -174.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 301 | K | 87.3 | Confident | 83.2 | Confident | 126 Ų | 126 | 77.9 Ų | 77.9 | 55% | 0.548 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -145.1 | 147.4 | -178.7 | -64.3 | -167.1 | 174.7 | -163.3 | 0 | 111.1 | F299 S303 L304 L305 | F299-K301 VanDerWaalsContact C-N 3.31Å; F299-K301 PolarHBondContact O-N 3.09Å; K301-S303 VanDerWaalsContact C-N 3.27Å; K301-S303 PolarHBondContact O-N 3.17Å; K301-L304 HydrophobicContact CB-CD1 4.34Å; K301-L304 HydrophobicContact CB-CG 4.26Å; K301-L304 PolarHBondContact O-N 3.05Å; K301-L305 PolarHBondContact O-N 3.13Å |
| 302 | P | 85.3 | Confident | 82.7 | Confident | 57 Ų | 57 | 76.9 Ų | 76.9 | 37% | 0.37 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.1 | -39.5 | 174.4 | -22.6 | 32.5 | 0 | 0 | 0 | 112.2 | Y290 L304 L305 K306 | Y290-P302 HydrophobicContact CD1-CG 4.31Å; Y290-P302 HydrophobicContact CD2-CG 4.31Å; Y290-P302 HydrophobicContact CE1-CG 3.8Å; Y290-P302 VanDerWaalsContact CE2-CD 3.47Å; Y290-P302 HydrophobicContact CE2-CG 3.8Å; P302-L304 VanDerWaalsContact C-N 3.25Å; P302-L304 PolarHBondContact O-N 3.2Å; P302-L305 CarbonylContact O-C 3.58Å; P302-L305 WeakPolarHBondContact O-CA 3.22Å; P302-L305 WeakPolarHBondContact O-CB 3.4Å; P302-L305 PolarHBondContact O-N 3.1Å; P302-K306 PolarHBondContact O-N 3.26Å |
| 303 | S | 81.3 | Confident | 82.2 | Confident | 80 Ų | 80 | 79.8 Ų | 79.8 | 56% | 0.559 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.9 | -27.1 | 178.2 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | K301 R307 | K301-S303 VanDerWaalsContact C-N 3.27Å; K301-S303 PolarHBondContact O-N 3.17Å; S303-R307 WeakPolarHBondContact O-CB 3.46Å; S303-R307 PolarHBondContact O-N 2.95Å; S303-R307 VanDerWaalsContact O-N 3.12Å |
| 304 | L | 85.2 | Confident | 81.4 | Confident | 62 Ų | 62 | 83.8 Ų | 83.8 | 33% | 0.325 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -78.3 | -34.8 | 172.7 | -66.1 | 175.9 | 0 | 0 | 0 | 111.6 | F299 K301 P302 H308 | F299-L304 HydrophobicContact CB-CB 4.25Å; F299-L304 HydrophobicContact CD1-CB 3.87Å; F299-L304 HydrophobicContact CG-CB 4.42Å; K301-L304 HydrophobicContact CB-CD1 4.34Å; K301-L304 HydrophobicContact CB-CG 4.26Å; K301-L304 PolarHBondContact O-N 3.05Å; P302-L304 VanDerWaalsContact C-N 3.25Å; P302-L304 PolarHBondContact O-N 3.2Å; L304-H308 VanDerWaalsContact O-CB 3.32Å; L304-H308 WeakPolarHBondContact O-CB 3.4Å; L304-H308 PolarHBondContact O-N 2.83Å |
| 305 | L | 88.4 | Confident | 81 | Confident | 10 Ų | 10 | 82.4 Ų | 82.4 | 5% | 0.052 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.8 | -50.4 | 170.5 | 175.2 | 57.2 | 0 | 0 | 0 | 110.8 | L291 C292 F299 K301 P302 R307 H308 M309 | L291-L305 WeakPolarHBondContact O-CD2 3.45Å; C292-L305 HydrophobicContact CB-CD1 3.78Å; F299-L305 HydrophobicContact CB-CB 4.1Å; F299-L305 HydrophobicContact CD2-CB 4.07Å; F299-L305 HydrophobicContact CD2-CD1 3.77Å; F299-L305 HydrophobicContact CE2-CD1 4.07Å; F299-L305 HydrophobicContact CG-CB 4.16Å; K301-L305 PolarHBondContact O-N 3.13Å; P302-L305 CarbonylContact O-C 3.58Å; P302-L305 WeakPolarHBondContact O-CA 3.22Å; P302-L305 WeakPolarHBondContact O-CB 3.4Å; P302-L305 PolarHBondContact O-N 3.1Å; L305-R307 VanDerWaalsContact C-N 3.33Å; L305-R307 PolarHBondContact O-N 3.22Å; L305-H308 CarbonylContact O-C 3.49Å; L305-H308 VanDerWaalsContact O-CA 3.31Å; L305-H308 WeakPolarHBondContact O-CA 3.15Å; L305-H308 WeakPolarHBondContact O-CB 3.2Å; L305-H308 PolarHBondContact O-N 3.33Å; L305-M309 HydrophobicContact CD1-CE 3.89Å; L305-M309 HydrophobicContact CD1-CG 4.14Å; L305-M309 HydrophobicContact CD1-SD 3.82Å; L305-M309 HydrophobicContact CG-CE 4.41Å; L305-M309 HydrophobicContact CG-CG 4.38Å; L305-M309 WeakPolarHBondContact O-CG 3.41Å; L305-M309 PolarHBondContact O-N 3.31Å |
| 306 | K | 80.8 | Confident | 80.8 | Confident | 105 Ų | 105 | 85.4 Ų | 85.4 | 46% | 0.457 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -54.6 | -45.7 | 176.5 | -168.4 | 165.9 | -172.6 | 164.3 | 0 | 111.6 | P302 H308 M309 T310 | P302-K306 PolarHBondContact O-N 3.26Å; K306-H308 VanDerWaalsContact C-N 3.28Å; K306-H308 PolarHBondContact O-N 3.43Å; K306-M309 PolarHBondContact O-N 2.84Å; K306-T310 PolarHBondContact O-N 3.22Å |
| 307 | R | 78.9 | Confident | 80.7 | Confident | 135 Ų | 135 | 80.3 Ų | 80.3 | 51% | 0.509 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.5 | -26.3 | 173.1 | -168.7 | -177 | 66.6 | 160.8 | -0.7 | 113.5 | S303 L305 T310 | S303-R307 WeakPolarHBondContact O-CB 3.46Å; S303-R307 PolarHBondContact O-N 2.95Å; S303-R307 VanDerWaalsContact O-N 3.12Å; L305-R307 VanDerWaalsContact C-N 3.33Å; L305-R307 PolarHBondContact O-N 3.22Å; R307-T310 PolarHBondContact O-OG1 3.24Å |
| 308 | H | 84.3 | Confident | 80.9 | Confident | 16 Ų | 16 | 76.7 Ų | 76.7 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -79.2 | -34.4 | 173.5 | 168.2 | 56.8 | 0 | 0 | 0 | 112.2 | C292 C295 F299 L304 L305 K306 T310 I311 H312 | C292-H308 PolarHBondContact SG-NE2 2.87Å; C295-H308 VanDerWaalsContact SG-CE1 3.5Å; C295-H308 PolarHBondContact SG-NE2 2.76Å; F299-H308 HydrophobicContact CE1-CB 3.72Å; F299-H308 AromaticContact CE1-CG 3.99Å; F299-H308 HydrophobicContact CE2-CB 3.91Å; F299-H308 AromaticContact CE2-CD2 3.14Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.17Å; F299-H308 AromaticContact CE2-CG 3.59Å; F299-H308 AromaticContact CE2-NE2 3.86Å; F299-H308 HydrophobicContact CZ-CB 3.39Å; F299-H308 AromaticContact CZ-CD2 3.22Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.2Å; F299-H308 AromaticContact CZ-CG 3.16Å; F299-H308 AromaticContact CZ-ND1 3.85Å; F299-H308 AromaticContact CZ-NE2 3.88Å; L304-H308 VanDerWaalsContact O-CB 3.32Å; L304-H308 WeakPolarHBondContact O-CB 3.4Å; L304-H308 PolarHBondContact O-N 2.83Å; L305-H308 CarbonylContact O-C 3.49Å; L305-H308 VanDerWaalsContact O-CA 3.31Å; L305-H308 WeakPolarHBondContact O-CA 3.15Å; L305-H308 WeakPolarHBondContact O-CB 3.2Å; L305-H308 PolarHBondContact O-N 3.33Å; K306-H308 VanDerWaalsContact C-N 3.28Å; K306-H308 PolarHBondContact O-N 3.43Å; H308-T310 PolarHBondContact O-N 3.05Å; H308-I311 WeakPolarHBondContact O-CB 3.43Å; H308-I311 WeakPolarHBondContact O-CG1 3.3Å; H308-I311 PolarHBondContact O-N 2.96Å; H308-H312 AromaticContact CD2-NE2 3.52Å; H308-H312 AromaticContact CE1-CD2 3.9Å; H308-H312 AromaticContact CE1-NE2 2.78Å; H308-H312 PolarHBondContact CE1-NE2 3.12Å; H308-H312 AromaticContact ND1-NE2 3.94Å; H308-H312 AromaticContact NE2-CD2 3.73Å; H308-H312 AromaticContact NE2-NE2 2.41Å; H308-H312 PolarHBondContact NE2-NE2 3.24Å |
| 309 | M | 77.9 | Confident | 81.1 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 15% | 0.153 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.8 | -30.2 | 175.5 | -65.1 | -46.2 | -145.4 | 0 | 0 | 112.1 | C292 S293 L305 K306 I311 H312 T313 | C292-M309 HydrophobicContact CB-SD 4.39Å; S293-M309 WeakPolarHBondContact OG-CE 3.46Å; L305-M309 HydrophobicContact CD1-CE 3.89Å; L305-M309 HydrophobicContact CD1-CG 4.14Å; L305-M309 HydrophobicContact CD1-SD 3.82Å; L305-M309 HydrophobicContact CG-CE 4.41Å; L305-M309 HydrophobicContact CG-CG 4.38Å; L305-M309 WeakPolarHBondContact O-CG 3.41Å; L305-M309 PolarHBondContact O-N 3.31Å; K306-M309 PolarHBondContact O-N 2.84Å; M309-I311 PolarHBondContact O-N 2.83Å; M309-H312 WeakPolarHBondContact O-CA 3.24Å; M309-H312 PolarHBondContact O-N 3.49Å; M309-T313 PolarHBondContact O-N 3.23Å; M309-T313 PolarHBondContact O-OG1 2.89Å |
| 310 | T | 78.4 | Confident | 81 | Confident | 29 Ų | 29 | 69.7 Ų | 69.7 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -14.3 | 172.5 | 75.6 | 0 | 0 | 0 | 0 | 113.8 | K306 R307 H308 K314 | K306-T310 PolarHBondContact O-N 3.22Å; R307-T310 PolarHBondContact O-OG1 3.24Å; H308-T310 PolarHBondContact O-N 3.05Å; T310-K314 VanDerWaalsContact O-CA 3.26Å; T310-K314 WeakPolarHBondContact O-CA 3.26Å; T310-K314 PolarHBondContact O-N 2.83Å |
| 311 | I | 76.1 | Confident | 81.1 | Confident | 120 Ų | 120 | 65.9 Ų | 65.9 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -77.7 | -34.2 | 172.1 | -55.6 | -178.1 | 0 | 0 | 0 | 110.5 | H308 M309 | H308-I311 WeakPolarHBondContact O-CB 3.43Å; H308-I311 WeakPolarHBondContact O-CG1 3.3Å; H308-I311 PolarHBondContact O-N 2.96Å; M309-I311 PolarHBondContact O-N 2.83Å |
| 312 | H | 74.2 | Confident | 81 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 33% | 0.333 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -82.7 | -52.1 | 178.4 | -65.4 | -61.7 | 0 | 0 | 0 | 111.5 | C292 V294 C295 H308 M309 K314 | C292-H312 VanDerWaalsContact SG-CD2 3.5Å; C292-H312 PolarHBondContact SG-NE2 2.56Å; V294-H312 HydrophobicContact CB-CB 4.36Å; V294-H312 HydrophobicContact CG1-CB 4.29Å; V294-H312 WeakPolarHBondContact CG1-ND1 3.36Å; V294-H312 HydrophobicContact CG2-CB 4.3Å; C295-H312 WeakPolarHBondContact CB-CE1 3.37Å; C295-H312 WeakPolarHBondContact CB-NE2 3.45Å; C295-H312 PolarHBondContact SG-CE1 2.73Å; C295-H312 PolarHBondContact SG-NE2 3.41Å; H308-H312 AromaticContact CD2-NE2 3.52Å; H308-H312 AromaticContact CE1-CD2 3.9Å; H308-H312 AromaticContact CE1-NE2 2.78Å; H308-H312 PolarHBondContact CE1-NE2 3.12Å; H308-H312 AromaticContact ND1-NE2 3.94Å; H308-H312 AromaticContact NE2-CD2 3.73Å; H308-H312 AromaticContact NE2-NE2 2.41Å; H308-H312 PolarHBondContact NE2-NE2 3.24Å; M309-H312 WeakPolarHBondContact O-CA 3.24Å; M309-H312 PolarHBondContact O-N 3.49Å; H312-K314 VanDerWaalsContact C-N 3.27Å; H312-K314 PolarHBondContact O-N 2.88Å |
| 313 | T | 72.9 | Confident | 81.1 | Confident | 61 Ų | 61 | 60.2 Ų | 60.2 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -74.9 | -15.9 | -179 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | M309 N315 | M309-T313 PolarHBondContact O-N 3.23Å; M309-T313 PolarHBondContact O-OG1 2.89Å; T313-N315 PolarHBondContact O-N 3.5Å; T313-N315 PolarHBondContact O-OD1 3.22Å; T313-N315 VanDerWaalsContact O-OD1 3.09Å; T313-N315 WeakPolarHBondContact OG1-CB 3.49Å; T313-N315 VanDerWaalsContact OG1-CG 3.28Å; T313-N315 PolarHBondContact OG1-N 3.37Å; T313-N315 PolarHBondContact OG1-ND2 2.92Å |
| 314 | K | 66.8 | Low | 81.2 | Confident | 170 Ų | 170 | 61.5 Ų | 61.5 | 74% | 0.739 | 30% | 0.298 | S | S | * | . | trans | 56.5 | 11 | -168.4 | -57.3 | 171.4 | -174.2 | 159.9 | 0 | 114.2 | T310 H312 K316 | T310-K314 VanDerWaalsContact O-CA 3.26Å; T310-K314 WeakPolarHBondContact O-CA 3.26Å; T310-K314 PolarHBondContact O-N 2.83Å; H312-K314 VanDerWaalsContact C-N 3.27Å; H312-K314 PolarHBondContact O-N 2.88Å; K314-K316 PolarHBondContact O-N 3.43Å; K314-K316 VanDerWaalsContact O-N 3.12Å | ||
| 315 | N | 69.7 | Low | 81 | Confident | 60 Ų | 60 | 60 Ų | 60 | 32% | 0.321 | 29% | 0.294 | S | S | . | . | trans | -63.9 | 115.7 | -173.3 | -70.2 | -8.4 | 0 | 0 | 0 | 111.6 | V267 T313 | V267-N315 HydrophobicContact CG1-CB 3.88Å; V267-N315 WeakPolarHBondContact CG1-ND2 3.48Å; T313-N315 PolarHBondContact O-N 3.5Å; T313-N315 PolarHBondContact O-OD1 3.22Å; T313-N315 VanDerWaalsContact O-OD1 3.09Å; T313-N315 WeakPolarHBondContact OG1-CB 3.49Å; T313-N315 VanDerWaalsContact OG1-CG 3.28Å; T313-N315 PolarHBondContact OG1-N 3.37Å; T313-N315 PolarHBondContact OG1-ND2 2.92Å | ||
| 316 | K | 82.2 | Confident | 80.9 | Confident | 99 Ų | 99 | 65 Ų | 65 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | trans | -101.9 | 92.5 | 176.8 | -71.4 | 163.3 | 156.9 | -142.1 | 0 | 108.9 | K314 Y318 R326 F327 T328 | K314-K316 PolarHBondContact O-N 3.43Å; K314-K316 VanDerWaalsContact O-N 3.12Å; K316-Y318 VanDerWaalsContact C-N 3.35Å; K316-Y318 PolarHBondContact O-N 3.07Å; K316-R326 HydrophobicContact CB-CB 3.69Å; K316-R326 HydrophobicContact CD-CB 3.83Å; K316-R326 VanDerWaalsContact CD-O 3.26Å; K316-R326 WeakPolarHBondContact CD-O 3.13Å; K316-R326 VanDerWaalsContact CE-O 3.25Å; K316-R326 WeakPolarHBondContact CE-O 3.24Å; K316-R326 HydrophobicContact CG-CB 4.37Å; K316-R326 PolarHBondContact NZ-O 3.3Å; K316-F327 CarbonylContact C-O 3.59Å; K316-F327 VanDerWaalsContact C-O 3.28Å; K316-F327 VanDerWaalsContact CA-O 3.3Å; K316-F327 WeakPolarHBondContact CA-O 3.4Å; K316-T328 HydrophobicContact CG-CG2 3.91Å | ||
| 317 | S | 80.9 | Confident | 81.2 | Confident | 24 Ų | 24 | 61.8 Ų | 61.8 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | trans | -81.4 | -3.6 | -172.7 | 59.7 | 0 | 0 | 0 | 0 | 115.3 | Q264 I265 F327 | Q264-S317 CarbonylContact C-O 3.59Å; Q264-S317 WeakPolarHBondContact CA-O 3.33Å; I265-S317 PolarHBondContact N-O 2.89Å; S317-F327 PolarHBondContact N-O 3.09Å | ||
| 318 | Y | 87.8 | Confident | 81.4 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 18% | 0.18 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.7 | -177.7 | -62.4 | -75.2 | 0 | 0 | 0 | 110.8 | I262 Y263 Q264 K316 R326 F327 Q329 K330 | I262-Y318 HydrophobicContact CG2-CD1 4.11Å; Y263-Y318 CarbonylContact O-C 3.58Å; Y263-Y318 WeakPolarHBondContact O-CA 3.49Å; Q264-Y318 HydrophobicContact CB-CD1 4.26Å; Q264-Y318 HydrophobicContact CB-CE1 4.15Å; Q264-Y318 HydrophobicContact CG-CD1 4.25Å; Q264-Y318 HydrophobicContact CG-CE1 3.85Å; Q264-Y318 VanDerWaalsContact OE1-CE1 3.24Å; Q264-Y318 PolarHBondContact OE1-OH 3.42Å; K316-Y318 VanDerWaalsContact C-N 3.35Å; K316-Y318 PolarHBondContact O-N 3.07Å; Y318-R326 CarbonylContact O-C 3.21Å; Y318-R326 WeakPolarHBondContact O-CA 3.45Å; Y318-F327 PolarHBondContact N-O 3.5Å; Y318-F327 PolarHBondContact O-N 3.33Å; Y318-Q329 VanDerWaalsContact CD2-C 3.45Å; Y318-K330 HydrophobicContact CD1-CB 3.88Å; Y318-K330 HydrophobicContact CD1-CG 4.04Å; Y318-K330 HydrophobicContact CD2-CB 4.33Å; Y318-K330 HydrophobicContact CE1-CB 3.74Å; Y318-K330 HydrophobicContact CE1-CD 4.28Å; Y318-K330 HydrophobicContact CE1-CG 4.03Å; Y318-K330 HydrophobicContact CE2-CB 4.18Å; Y318-K330 HydrophobicContact CG-CB 4.18Å |
| 319 | E | 88.8 | Confident | 81.4 | Confident | 34 Ų | 34 | 60.4 Ų | 60.4 | 16% | 0.159 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 138.7 | -177.5 | -169.9 | 167.6 | 128 | 0 | 0 | 111.1 | I262 Y263 I265 H324 R326 | I262-E319 CarbonylContact C-O 3.59Å; I262-E319 VanDerWaalsContact CA-O 3.3Å; I262-E319 WeakPolarHBondContact CA-O 3.5Å; Y263-E319 PolarHBondContact N-O 2.93Å; Y263-E319 PolarHBondContact O-N 3.04Å; I265-E319 HydrophobicContact CD1-CB 4.12Å; I265-E319 WeakPolarHBondContact CD1-OE2 3.4Å; I265-E319 HydrophobicContact CG1-CB 4.37Å; E319-H324 HydrophobicContact CG-CB 4.43Å; E319-H324 WeakPolarHBondContact OE1-CB 3.36Å; E319-H324 IonicContact OE1-CE1 3.88Å; E319-H324 IonicContact OE1-CG 3.48Å; E319-H324 IonicContact OE1-ND1 2.75Å; E319-H324 PolarHBondContact OE1-ND1 3.07Å; E319-R326 HydrophobicContact CB-CG 4.06Å; E319-R326 HydrophobicContact CG-CG 3.76Å; E319-R326 WeakPolarHBondContact OE2-CD 3.33Å; E319-R326 WeakPolarHBondContact OE2-CG 3.44Å; E319-R326 IonicContact OE2-NE 3.72Å |
| 320 | C | 88.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 122.4 | 172.9 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | L322 C323 H324 A325 F327 H336 V337 | C320-L322 PolarHBondContact O-N 3.28Å; C320-L322 VanDerWaalsContact O-N 3.15Å; C320-L322 PolarHBondContact SG-N 3.49Å; C320-C323 PolarHBondContact O-N 2.89Å; C320-H324 VanDerWaalsContact O-CA 3.27Å; C320-H324 WeakPolarHBondContact O-CA 3.35Å; C320-H324 PolarHBondContact O-N 3.35Å; C320-A325 PolarHBondContact N-O 3.03Å; C320-F327 HydrophobicContact CB-CE2 4.28Å; C320-H336 VanDerWaalsContact CB-CD2 3.42Å; C320-H336 WeakPolarHBondContact CB-CD2 3.47Å; C320-H336 WeakPolarHBondContact CB-NE2 3.3Å; C320-H336 VanDerWaalsContact SG-CD2 3.54Å; C320-H336 PolarHBondContact SG-NE2 3.05Å; C320-H336 VanDerWaalsContact SG-NE2 3.45Å; C320-V337 HydrophobicContact CB-CG2 4.43Å; C320-V337 VanDerWaalsContact SG-CG2 3.53Å |
| 321 | V | 87.4 | Confident | 82.1 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 29% | 0.285 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.4 | 179.3 | -180 | 0 | 0 | 0 | 0 | 112.5 | L261 | L261-V321 PolarHBondContact O-N 3.17Å; L261-V321 VanDerWaalsContact O-N 3.09Å |
| 322 | L | 85 | Confident | 82.7 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -13.5 | -174.9 | -57.8 | 177 | 0 | 0 | 0 | 115 | A236 L261 C320 H340 | A236-L322 HydrophobicContact CB-CD2 3.92Å; L261-L322 HydrophobicContact CD1-CD1 4.33Å; L261-L322 HydrophobicContact CD2-CD1 4.47Å; L261-L322 HydrophobicContact CD2-CD2 4.07Å; L261-L322 HydrophobicContact CD2-CG 4.24Å; C320-L322 PolarHBondContact O-N 3.28Å; C320-L322 VanDerWaalsContact O-N 3.15Å; C320-L322 PolarHBondContact SG-N 3.49Å; L322-H340 HydrophobicContact CD1-CB 3.55Å |
| 323 | C | 87.5 | Confident | 83.5 | Confident | 51 Ų | 51 | 57 Ų | 57 | 35% | 0.345 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -157.1 | 13.5 | 175.9 | 72.7 | 0 | 0 | 0 | 0 | 115.4 | C320 A325 H336 H340 | C320-C323 PolarHBondContact O-N 2.89Å; C323-A325 PolarHBondContact O-N 3.3Å; C323-A325 VanDerWaalsContact SG-CB 3.55Å; C323-H336 PolarHBondContact SG-CE1 3.12Å; C323-H336 PolarHBondContact SG-NE2 3.12Å; C323-H340 PolarHBondContact SG-NE2 3.22Å |
| 324 | H | 82.7 | Confident | 84.3 | Confident | 108 Ų | 108 | 56.7 Ų | 56.7 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | trans | 56.5 | 18.7 | -179.4 | -57.4 | -77.9 | 0 | 0 | 0 | 115.1 | E319 C320 R326 | E319-H324 HydrophobicContact CG-CB 4.43Å; E319-H324 WeakPolarHBondContact OE1-CB 3.36Å; E319-H324 IonicContact OE1-CE1 3.88Å; E319-H324 IonicContact OE1-CG 3.48Å; E319-H324 IonicContact OE1-ND1 2.75Å; E319-H324 PolarHBondContact OE1-ND1 3.07Å; C320-H324 VanDerWaalsContact O-CA 3.27Å; C320-H324 WeakPolarHBondContact O-CA 3.35Å; C320-H324 PolarHBondContact O-N 3.35Å; H324-R326 PolarHBondContact O-N 2.92Å; H324-R326 VanDerWaalsContact O-N 3.14Å | ||
| 325 | A | 82.6 | Confident | 85.2 | Confident | 30 Ų | 30 | 53 Ų | 53 | 25% | 0.248 | 28% | 0.277 | C | S | . | . | trans | -66.3 | 116.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | C320 C323 F327 | C320-A325 PolarHBondContact N-O 3.03Å; C323-A325 PolarHBondContact O-N 3.3Å; C323-A325 VanDerWaalsContact SG-CB 3.55Å; A325-F327 HydrophobicContact CB-CE2 3.64Å; A325-F327 HydrophobicContact CB-CZ 3.74Å; A325-F327 WeakPolarHBondContact O-CD2 3.37Å; A325-F327 WeakPolarHBondContact O-CE2 3.43Å | ||
| 326 | R | 85.4 | Confident | 86.1 | Confident | 115 Ų | 115 | 51.7 Ų | 51.7 | 43% | 0.434 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 132 | 179.7 | -66 | 175.6 | 74.9 | 171.2 | 7.9 | 112.1 | I265 K316 Y318 E319 H324 | I265-R326 HydrophobicContact CD1-CG 4.33Å; I265-R326 VanDerWaalsContact CD1-CZ 3.43Å; I265-R326 VanDerWaalsContact CD1-NH2 3.26Å; K316-R326 HydrophobicContact CB-CB 3.69Å; K316-R326 HydrophobicContact CD-CB 3.83Å; K316-R326 VanDerWaalsContact CD-O 3.26Å; K316-R326 WeakPolarHBondContact CD-O 3.13Å; K316-R326 VanDerWaalsContact CE-O 3.25Å; K316-R326 WeakPolarHBondContact CE-O 3.24Å; K316-R326 HydrophobicContact CG-CB 4.37Å; K316-R326 PolarHBondContact NZ-O 3.3Å; Y318-R326 CarbonylContact O-C 3.21Å; Y318-R326 WeakPolarHBondContact O-CA 3.45Å; E319-R326 HydrophobicContact CB-CG 4.06Å; E319-R326 HydrophobicContact CG-CG 3.76Å; E319-R326 WeakPolarHBondContact OE2-CD 3.33Å; E319-R326 WeakPolarHBondContact OE2-CG 3.44Å; E319-R326 IonicContact OE2-NE 3.72Å; H324-R326 PolarHBondContact O-N 2.92Å; H324-R326 VanDerWaalsContact O-N 3.14Å |
| 327 | F | 87.4 | Confident | 86.4 | Confident | 38 Ų | 38 | 47 Ų | 47 | 17% | 0.167 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 151.5 | -175.2 | -59.7 | -82.5 | 0 | 0 | 0 | 112.1 | K316 S317 Y318 C320 A325 A333 H336 | K316-F327 CarbonylContact C-O 3.59Å; K316-F327 VanDerWaalsContact C-O 3.28Å; K316-F327 VanDerWaalsContact CA-O 3.3Å; K316-F327 WeakPolarHBondContact CA-O 3.4Å; S317-F327 PolarHBondContact N-O 3.09Å; Y318-F327 PolarHBondContact N-O 3.5Å; Y318-F327 PolarHBondContact O-N 3.33Å; C320-F327 HydrophobicContact CB-CE2 4.28Å; A325-F327 HydrophobicContact CB-CE2 3.64Å; A325-F327 HydrophobicContact CB-CZ 3.74Å; A325-F327 WeakPolarHBondContact O-CD2 3.37Å; A325-F327 WeakPolarHBondContact O-CE2 3.43Å; F327-A333 HydrophobicContact CB-CB 4.25Å; F327-A333 HydrophobicContact CD2-CB 3.63Å; F327-A333 HydrophobicContact CE2-CB 4.32Å; F327-A333 HydrophobicContact CG-CB 4.08Å; F327-H336 HydrophobicContact CE1-CB 4.06Å; F327-H336 HydrophobicContact CE2-CB 3.97Å; F327-H336 AromaticContact CE2-CD2 3.47Å; F327-H336 VanDerWaalsContact CE2-CD2 3.47Å; F327-H336 WeakPolarHBondContact CE2-CD2 3.49Å; F327-H336 AromaticContact CE2-CG 3.71Å; F327-H336 HydrophobicContact CZ-CB 3.44Å; F327-H336 VanDerWaalsContact CZ-CB 3.44Å; F327-H336 AromaticContact CZ-CD2 3.53Å; F327-H336 AromaticContact CZ-CG 3.27Å; F327-H336 AromaticContact CZ-ND1 3.77Å |
| 328 | T | 82.8 | Confident | 86.7 | Confident | 52 Ų | 52 | 49.8 Ų | 49.8 | 32% | 0.319 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -84.9 | -8.7 | 175.5 | 56 | 0 | 0 | 0 | 0 | 113.9 | K316 | K316-T328 HydrophobicContact CG-CG2 3.91Š|
| 329 | Q | 83.9 | Confident | 86.5 | Confident | 70 Ų | 70 | 51 Ų | 51 | 33% | 0.327 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -143.4 | 133.4 | -176.8 | -66.3 | 175.2 | 52.8 | 0 | 0 | 111 | Y318 S331 S332 A333 | Y318-Q329 VanDerWaalsContact CD2-C 3.45Å; Q329-S331 PolarHBondContact O-N 2.96Å; Q329-S332 WeakPolarHBondContact O-CB 3.45Å; Q329-S332 PolarHBondContact O-N 3.26Å; Q329-A333 PolarHBondContact O-N 3.43Å |
| 330 | K | 87 | Confident | 86.3 | Confident | 72 Ų | 72 | 51.8 Ų | 51.8 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -54.9 | -34.2 | 175.8 | -161.3 | 179.4 | -167.1 | -172.4 | 0 | 112.4 | D259 I262 Y318 A333 K334 | D259-K330 VanDerWaalsContact CG-CE 3.42Å; D259-K330 WeakPolarHBondContact OD1-CE 3.19Å; D259-K330 IonicContact OD1-NZ 3.72Å; D259-K330 PolarHBondContact OD1-NZ 2.75Å; D259-K330 IonicContact OD2-NZ 3.13Å; D259-K330 PolarHBondContact OD2-NZ 2.9Å; I262-K330 HydrophobicContact CD1-CG 4.36Å; I262-K330 HydrophobicContact CG2-CG 4.46Å; Y318-K330 HydrophobicContact CD1-CB 3.88Å; Y318-K330 HydrophobicContact CD1-CG 4.04Å; Y318-K330 HydrophobicContact CD2-CB 4.33Å; Y318-K330 HydrophobicContact CE1-CB 3.74Å; Y318-K330 HydrophobicContact CE1-CD 4.28Å; Y318-K330 HydrophobicContact CE1-CG 4.03Å; Y318-K330 HydrophobicContact CE2-CB 4.18Å; Y318-K330 HydrophobicContact CG-CB 4.18Å; K330-A333 PolarHBondContact O-N 3.25Å; K330-K334 WeakPolarHBondContact O-CG 3.4Å; K330-K334 PolarHBondContact O-N 3.14Å |
| 331 | S | 85 | Confident | 85.9 | Confident | 68 Ų | 68 | 53.6 Ų | 53.6 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.6 | 49 | 0 | 0 | 0 | 0 | 113.1 | Q329 K334 T335 | Q329-S331 PolarHBondContact O-N 2.96Å; S331-K334 PolarHBondContact O-N 3.17Å; S331-T335 PolarHBondContact O-N 2.82Å; S331-T335 PolarHBondContact O-OG1 3.43Å; S331-T335 VanDerWaalsContact O-OG1 3.04Å |
| 332 | S | 88.7 | Confident | 85.3 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.7 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | Q329 T335 H336 | Q329-S332 WeakPolarHBondContact O-CB 3.45Å; Q329-S332 PolarHBondContact O-N 3.26Å; S332-T335 WeakPolarHBondContact CA-OG1 3.43Å; S332-T335 PolarHBondContact O-N 3.17Å; S332-T335 PolarHBondContact O-OG1 2.87Å; S332-H336 WeakPolarHBondContact O-CB 3.36Å; S332-H336 PolarHBondContact O-N 3.03Å |
| 333 | A | 89.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59 | -46.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I262 F327 Q329 K330 T335 H336 V337 | I262-A333 HydrophobicContact CD1-CB 3.87Å; I262-A333 HydrophobicContact CG1-CB 4.02Å; I262-A333 HydrophobicContact CG2-CB 3.76Å; F327-A333 HydrophobicContact CB-CB 4.25Å; F327-A333 HydrophobicContact CD2-CB 3.63Å; F327-A333 HydrophobicContact CE2-CB 4.32Å; F327-A333 HydrophobicContact CG-CB 4.08Å; Q329-A333 PolarHBondContact O-N 3.43Å; K330-A333 PolarHBondContact O-N 3.25Å; A333-T335 PolarHBondContact O-N 3Å; A333-H336 CarbonylContact O-C 3.53Å; A333-H336 PolarHBondContact O-N 3.19Å; A333-V337 WeakPolarHBondContact O-CG2 3.18Å; A333-V337 PolarHBondContact O-N 2.81Å |
| 334 | K | 90 | Very high | 82.9 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 24% | 0.239 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.6 | -47.2 | 173.7 | -74.7 | -175.4 | -168.4 | -115.2 | 0 | 112.4 | L258 D259 I262 K330 S331 H336 V337 L338 | L258-K334 HydrophobicContact CD2-CB 4.37Å; D259-K334 WeakPolarHBondContact OD1-CE 3.45Å; D259-K334 IonicContact OD1-NZ 3.7Å; D259-K334 PolarHBondContact OD1-NZ 3.34Å; D259-K334 IonicContact OD2-NZ 2.6Å; D259-K334 PolarHBondContact OD2-NZ 3.11Å; D259-K334 VanDerWaalsContact OD2-NZ 3.13Å; I262-K334 HydrophobicContact CD1-CB 4.17Å; I262-K334 HydrophobicContact CD1-CG 3.44Å; I262-K334 VanDerWaalsContact CD1-CG 3.44Å; K330-K334 WeakPolarHBondContact O-CG 3.4Å; K330-K334 PolarHBondContact O-N 3.14Å; S331-K334 PolarHBondContact O-N 3.17Å; K334-H336 PolarHBondContact O-N 3.13Å; K334-V337 PolarHBondContact O-N 3.21Å; K334-L338 WeakPolarHBondContact O-CB 3.39Å; K334-L338 WeakPolarHBondContact O-CG 3.28Å; K334-L338 PolarHBondContact O-N 3.39Å |
| 335 | T | 86.8 | Confident | 80.9 | Confident | 91 Ų | 91 | 60.4 Ų | 60.4 | 56% | 0.558 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.3 | -27.4 | 176.9 | 36.2 | 0 | 0 | 0 | 0 | 113.5 | S331 S332 A333 | S331-T335 PolarHBondContact O-N 2.82Å; S331-T335 PolarHBondContact O-OG1 3.43Å; S331-T335 VanDerWaalsContact O-OG1 3.04Å; S332-T335 WeakPolarHBondContact CA-OG1 3.43Å; S332-T335 PolarHBondContact O-N 3.17Å; S332-T335 PolarHBondContact O-OG1 2.87Å; A333-T335 PolarHBondContact O-N 3Å |
| 336 | H | 88.1 | Confident | 78.3 | Confident | 33 Ų | 33 | 65.5 Ų | 65.5 | 15% | 0.153 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -81.1 | -42.5 | 176.9 | 161.9 | 83.1 | 0 | 0 | 0 | 112.4 | C320 C323 F327 S332 A333 K334 L338 L339 H340 | C320-H336 VanDerWaalsContact CB-CD2 3.42Å; C320-H336 WeakPolarHBondContact CB-CD2 3.47Å; C320-H336 WeakPolarHBondContact CB-NE2 3.3Å; C320-H336 VanDerWaalsContact SG-CD2 3.54Å; C320-H336 PolarHBondContact SG-NE2 3.05Å; C320-H336 VanDerWaalsContact SG-NE2 3.45Å; C323-H336 PolarHBondContact SG-CE1 3.12Å; C323-H336 PolarHBondContact SG-NE2 3.12Å; F327-H336 HydrophobicContact CE1-CB 4.06Å; F327-H336 HydrophobicContact CE2-CB 3.97Å; F327-H336 AromaticContact CE2-CD2 3.47Å; F327-H336 VanDerWaalsContact CE2-CD2 3.47Å; F327-H336 WeakPolarHBondContact CE2-CD2 3.49Å; F327-H336 AromaticContact CE2-CG 3.71Å; F327-H336 HydrophobicContact CZ-CB 3.44Å; F327-H336 VanDerWaalsContact CZ-CB 3.44Å; F327-H336 AromaticContact CZ-CD2 3.53Å; F327-H336 AromaticContact CZ-CG 3.27Å; F327-H336 AromaticContact CZ-ND1 3.77Å; S332-H336 WeakPolarHBondContact O-CB 3.36Å; S332-H336 PolarHBondContact O-N 3.03Å; A333-H336 CarbonylContact O-C 3.53Å; A333-H336 PolarHBondContact O-N 3.19Å; K334-H336 PolarHBondContact O-N 3.13Å; H336-L338 PolarHBondContact O-N 3.3Å; H336-L339 WeakPolarHBondContact O-CA 3.45Å; H336-L339 VanDerWaalsContact O-CB 3.28Å; H336-L339 WeakPolarHBondContact O-CB 3.41Å; H336-L339 PolarHBondContact O-N 3.12Å; H336-H340 AromaticContact CE1-CD2 3.77Å; H336-H340 AromaticContact CE1-NE2 3.31Å; H336-H340 PolarHBondContact CE1-NE2 3.01Å; H336-H340 VanDerWaalsContact CE1-NE2 3.31Å; H336-H340 AromaticContact NE2-CD2 3.61Å; H336-H340 AromaticContact NE2-NE2 3.31Å; H336-H340 PolarHBondContact NE2-NE2 3.21Å; H336-H340 PolarHBondContact O-N 3.28Å |
| 337 | V | 88.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -55.4 | -40.9 | 169.8 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | L258 L261 I262 C320 A333 K334 L339 H340 I341 | L258-V337 HydrophobicContact CG-CG1 4.46Å; L261-V337 HydrophobicContact CB-CG1 3.79Å; L261-V337 HydrophobicContact CB-CG2 4.08Å; L261-V337 HydrophobicContact CD1-CG1 3.63Å; L261-V337 HydrophobicContact CG-CG1 4.38Å; I262-V337 HydrophobicContact CD1-CG2 4.46Å; I262-V337 HydrophobicContact CG1-CG2 3.86Å; C320-V337 HydrophobicContact CB-CG2 4.43Å; C320-V337 VanDerWaalsContact SG-CG2 3.53Å; A333-V337 WeakPolarHBondContact O-CG2 3.18Å; A333-V337 PolarHBondContact O-N 2.81Å; K334-V337 PolarHBondContact O-N 3.21Å; V337-L339 PolarHBondContact O-N 2.85Å; V337-H340 WeakPolarHBondContact O-CB 3.46Å; V337-H340 PolarHBondContact O-N 3.09Å; V337-H340 VanDerWaalsContact O-N 3.1Å; V337-I341 HydrophobicContact CG1-CD1 3.91Å; V337-I341 HydrophobicContact CG1-CG1 4.46Å; V337-I341 PolarHBondContact O-N 3.4Å |
| 338 | L | 87.5 | Confident | 72.7 | Confident | 83 Ų | 83 | 72 Ų | 72 | 44% | 0.435 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.3 | -26.4 | 173.5 | -78.5 | 170.4 | 0 | 0 | 0 | 113.8 | L258 K334 H336 S342 | L258-L338 HydrophobicContact CD1-CD2 4.45Å; L258-L338 HydrophobicContact CD2-CD1 4.04Å; L258-L338 HydrophobicContact CD2-CD2 3.92Å; L258-L338 HydrophobicContact CD2-CG 3.74Å; K334-L338 WeakPolarHBondContact O-CB 3.39Å; K334-L338 WeakPolarHBondContact O-CG 3.28Å; K334-L338 PolarHBondContact O-N 3.39Å; H336-L338 PolarHBondContact O-N 3.3Å; L338-S342 WeakPolarHBondContact O-CB 3.16Å; L338-S342 PolarHBondContact O-N 2.86Å; L338-S342 PolarHBondContact O-OG 2.97Å |
| 339 | L | 84 | Confident | 69.9 | Low | 72 Ų | 72 | 75.9 Ų | 75.9 | 38% | 0.377 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -71 | -42.5 | 173.6 | -64.2 | 171.7 | 0 | 0 | 0 | 111 | H336 V337 S342 A343 F616 | H336-L339 WeakPolarHBondContact O-CA 3.45Å; H336-L339 VanDerWaalsContact O-CB 3.28Å; H336-L339 WeakPolarHBondContact O-CB 3.41Å; H336-L339 PolarHBondContact O-N 3.12Å; V337-L339 PolarHBondContact O-N 2.85Å; L339-S342 WeakPolarHBondContact CA-OG 3.37Å; L339-S342 PolarHBondContact O-N 3.05Å; L339-S342 PolarHBondContact O-OG 3.22Å; L339-A343 PolarHBondContact O-N 3.05Å; L339-F616 HydrophobicContact CD2-CE1 4.11Å |
| 340 | H | 83.3 | Confident | 67.1 | Low | 51 Ų | 51 | 82.8 Ų | 82.8 | 24% | 0.236 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -58.5 | -51.6 | 173.2 | -75.1 | -85.9 | 0 | 0 | 0 | 111.5 | L322 C323 H336 V337 S342 A343 L344 | L322-H340 HydrophobicContact CD1-CB 3.55Å; C323-H340 PolarHBondContact SG-NE2 3.22Å; H336-H340 AromaticContact CE1-CD2 3.77Å; H336-H340 AromaticContact CE1-NE2 3.31Å; H336-H340 PolarHBondContact CE1-NE2 3.01Å; H336-H340 VanDerWaalsContact CE1-NE2 3.31Å; H336-H340 AromaticContact NE2-CD2 3.61Å; H336-H340 AromaticContact NE2-NE2 3.31Å; H336-H340 PolarHBondContact NE2-NE2 3.21Å; H336-H340 PolarHBondContact O-N 3.28Å; V337-H340 WeakPolarHBondContact O-CB 3.46Å; V337-H340 PolarHBondContact O-N 3.09Å; V337-H340 VanDerWaalsContact O-N 3.1Å; H340-S342 VanDerWaalsContact C-N 3.29Å; H340-S342 PolarHBondContact O-N 3.34Å; H340-A343 WeakPolarHBondContact O-CB 3.44Å; H340-A343 PolarHBondContact O-N 3.06Å; H340-L344 PolarHBondContact O-N 2.86Å |
| 341 | I | 81.4 | Confident | 64.4 | Low | 37 Ų | 37 | 89 Ų | 89 | 19% | 0.19 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 178.1 | -60.5 | 169.2 | 0 | 0 | 0 | 110.8 | L258 L261 V337 A343 L344 N345 | L258-I341 HydrophobicContact CD1-CD1 4.31Å; L261-I341 HydrophobicContact CD1-CD1 4.28Å; V337-I341 HydrophobicContact CG1-CD1 3.91Å; V337-I341 HydrophobicContact CG1-CG1 4.46Å; V337-I341 PolarHBondContact O-N 3.4Å; I341-A343 VanDerWaalsContact C-N 3.26Å; I341-A343 PolarHBondContact O-N 3.41Å; I341-L344 PolarHBondContact O-N 3.11Å; I341-N345 PolarHBondContact O-N 3.19Å |
| 342 | S | 74.1 | Confident | 61.5 | Low | 71 Ų | 71 | 89.7 Ų | 89.7 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.5 | -19.4 | 178 | 74.5 | 0 | 0 | 0 | 0 | 114.7 | L338 L339 H340 | L338-S342 WeakPolarHBondContact O-CB 3.16Å; L338-S342 PolarHBondContact O-N 2.86Å; L338-S342 PolarHBondContact O-OG 2.97Å; L339-S342 WeakPolarHBondContact CA-OG 3.37Å; L339-S342 PolarHBondContact O-N 3.05Å; L339-S342 PolarHBondContact O-OG 3.22Å; H340-S342 VanDerWaalsContact C-N 3.29Å; H340-S342 PolarHBondContact O-N 3.34Å |
| 343 | A | 66.4 | Low | 58.5 | Low | 68 Ų | 68 | 93.6 Ų | 93.6 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -83.2 | -21.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L339 H340 I341 | L339-A343 PolarHBondContact O-N 3.05Å; H340-A343 WeakPolarHBondContact O-CB 3.44Å; H340-A343 PolarHBondContact O-N 3.06Å; I341-A343 VanDerWaalsContact C-N 3.26Å; I341-A343 PolarHBondContact O-N 3.41Å |
| 344 | L | 56.8 | Low | 55.4 | Low | 96 Ų | 96 | 101.5 Ų | 101.5 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -86.9 | -32.4 | 179.1 | -66 | 169.3 | 0 | 0 | 0 | 112.9 | L240 H340 I341 L346 | L240-L344 HydrophobicContact CD1-CD1 3.2Å; H340-L344 PolarHBondContact O-N 2.86Å; I341-L344 PolarHBondContact O-N 3.11Å; L344-L346 PolarHBondContact O-N 3.2Å |
| 345 | N | 38.9 | Very low | 52.5 | Low | 127 Ų | 127 | 106.1 Ų | 106.1 | 68% | 0.679 | 57% | 0.566 | S | S | * | * | trans | -79.3 | 47.9 | -179.3 | -70 | -11.9 | 0 | 0 | 0 | 113.4 | I341 | I341-N345 PolarHBondContact O-N 3.19Š| ||
| 346 | L | 29 | Very low | 49.5 | Very low | 136 Ų | 136 | 104.8 Ų | 104.8 | 71% | 0.712 | 57% | 0.57 | S | S | * | * | trans | -115.6 | 48.9 | 177.6 | -92.9 | 167.7 | 0 | 0 | 0 | 111.9 | L344 | L344-L346 PolarHBondContact O-N 3.2Š| ||
| 347 | H | 25.8 | Very low | 46.6 | Very low | 170 Ų | 170 | 109.3 Ų | 109.3 | 79% | 0.787 | 60% | 0.6 | S | S | * | * | trans | -163.9 | 113.6 | 153.7 | -105.6 | -77.9 | 0 | 0 | 0 | 109.8 | ||||
| 348 | P | 30.2 | Very low | 43.4 | Very low | 121 Ų | 121 | 115.9 Ų | 115.9 | 79% | 0.786 | 64% | 0.635 | S | S | * | * | trans | -142.8 | 76.5 | 152.1 | 36.4 | -17.8 | 0 | 0 | 0 | 110.7 | ||||
| 349 | D | 23.7 | Very low | 40.4 | Very low | 133 Ų | 133 | 117.1 Ų | 117.1 | 71% | 0.711 | 65% | 0.651 | S | S | * | * | trans | -119.6 | 144.8 | 160.6 | -70.7 | -52.8 | 0 | 0 | 0 | 106.2 | ||||
| 350 | Y | 24.2 | Very low | 37.6 | Very low | 214 Ų | 214 | 119.6 Ų | 119.6 | 84% | 0.839 | 67% | 0.674 | S | S | * | * | trans | 72.7 | 88.7 | -165.8 | -65.4 | -91.1 | 0 | 0 | 0 | 116.4 | ||||
| 351 | H | 30.3 | Very low | 34.7 | Very low | 202 Ų | 202 | 124.8 Ų | 124.8 | 94% | 0.935 | 70% | 0.703 | S | S | * | * | -147.4 | 125.1 | 103.1 | -98.9 | -77.8 | 0 | 0 | 0 | 108.7 | |||||
| 352 | S | 24.4 | Very low | 32.5 | Very low | 84 Ų | 84 | 128 Ų | 128 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | trans | -104.4 | 156.5 | -179.4 | 47.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 353 | T | 25.4 | Very low | 30 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | 45.6 | 124.1 | 140.7 | 58 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 354 | E | 25.7 | Very low | 27.9 | Very low | 166 Ų | 166 | 136 Ų | 136 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | cis | -156.2 | -179.1 | 40.4 | -68.9 | -171.9 | 136.9 | 0 | 0 | 113.3 | ||||
| 355 | N | 27.6 | Very low | 26.1 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -2.8 | 149.3 | 146.7 | -43.4 | -31.5 | 0 | 0 | 0 | 117.5 | ||||
| 356 | G | 24.5 | Very low | 25.4 | Very low | 63 Ų | 63 | 136.3 Ų | 136.3 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | cis | 147.5 | 140.6 | 10.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 357 | T | 26.5 | Very low | 25 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | 52.9 | 117.6 | 166.4 | 48.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 358 | D | 22.6 | Very low | 24.9 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | 72.9 | 99.4 | 126.7 | -52.9 | -21.5 | 0 | 0 | 0 | 122.4 | |||||
| 359 | S | 23.6 | Very low | 24.5 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | 67.8 | 146.6 | 125 | 69 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 360 | S | 26.1 | Very low | 24.4 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | trans | 98 | 138.5 | 166.6 | 75.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 361 | L | 22.6 | Very low | 24.3 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -85 | -171.9 | -179 | -70.5 | 155.6 | 0 | 0 | 0 | 109.2 | ||||
| 362 | P | 34.9 | Very low | 23.8 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | cis | -136.7 | 169.9 | 2.2 | 25.7 | -0.3 | 0 | 0 | 0 | 117.2 | ||||
| 363 | I | 21.1 | Very low | 23.7 | Very low | 144 Ų | 144 | 130 Ų | 130 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | 18.3 | 123.4 | 131.7 | -49.2 | 158.7 | 0 | 0 | 0 | 117.5 | ||||
| 364 | L | 21.3 | Very low | 23.7 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | -161.3 | 153.8 | 117 | -105.7 | 169.7 | 0 | 0 | 0 | 113.5 | |||||
| 365 | T | 20.7 | Very low | 23.6 | Very low | 114 Ų | 114 | 126 Ų | 126 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | -104.3 | -178.6 | -177 | 39.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 366 | V | 22.4 | Very low | 23.5 | Very low | 114 Ų | 114 | 125 Ų | 125 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | trans | 103.2 | 105.1 | 156.7 | -173.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 367 | N | 22.5 | Very low | 23.4 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | 54.1 | 137.6 | 132.9 | -53.4 | 0.2 | 0 | 0 | 0 | 124.4 | ||||
| 368 | N | 22.5 | Very low | 23 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | trans | 53.8 | 120.4 | 133.8 | -67.5 | 34.8 | 0 | 0 | 0 | 122.5 | ||||
| 369 | E | 21 | Very low | 23.1 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | 62.6 | 131.9 | 123.2 | -60.5 | 176.2 | 138.2 | 0 | 0 | 121.5 | |||||
| 370 | S | 22.7 | Very low | 23 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 90.7 | 152.4 | 143.8 | 81.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 371 | Q | 20.9 | Very low | 22.8 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | 81 | 108.9 | 159.9 | -65.6 | -167.8 | -42.7 | 0 | 0 | 121.3 | ||||
| 372 | D | 21.8 | Very low | 22.8 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | 83.4 | 108.6 | 114.7 | -59.9 | -16.2 | 0 | 0 | 0 | 122.6 | |||||
| 373 | S | 22.1 | Very low | 22.3 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | 97.7 | 165.5 | 116 | 78.2 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 374 | V | 25.2 | Very low | 22.7 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | 86.4 | 81 | 171.2 | -162.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 375 | A | 22.5 | Very low | 22.7 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | 50 | 122.4 | 128.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 376 | N | 25.3 | Very low | 22.9 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | -176.5 | 137.5 | 96 | -102.3 | -78.1 | 0 | 0 | 0 | 114.8 | |||||
| 377 | R | 23.6 | Very low | 22.9 | Very low | 226 Ų | 226 | 133.7 Ų | 133.7 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | 64.6 | 106.7 | 150.2 | -60.5 | 174.6 | -167.8 | -144.1 | -0.2 | 120.7 | ||||
| 378 | L | 18.5 | Very low | 23 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -66.1 | 157.4 | 142.9 | -87.2 | 79 | 0 | 0 | 0 | 110.3 | ||||
| 379 | P | 24.2 | Very low | 23 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | -131 | 155.2 | 98 | 37.9 | -30.8 | 0 | 0 | 0 | 114.7 | |||||
| 380 | S | 20.9 | Very low | 22.9 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | trans | -73 | 151.6 | 169 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 381 | L | 23.1 | Very low | 22.8 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | -168.1 | 169.6 | 109.3 | -133.5 | 74.8 | 0 | 0 | 0 | 112.5 | |||||
| 382 | D | 21.9 | Very low | 22.8 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | -86.5 | 174.8 | -156.1 | -70.5 | -73.8 | 0 | 0 | 0 | 118.2 | ||||
| 383 | S | 23.3 | Very low | 22.7 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | trans | -35.3 | 144.3 | 163.3 | 58.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 384 | H | 29.4 | Very low | 22.9 | Very low | 193 Ų | 193 | 137.7 Ų | 137.7 | 89% | 0.894 | 75% | 0.754 | S | S | * | * | trans | -140.2 | 124.8 | 139.9 | -105.2 | -71.7 | 0 | 0 | 0 | 112.7 | ||||
| 385 | V | 21.7 | Very low | 22.9 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 70% | 0.697 | 76% | 0.755 | S | S | * | * | trans | -78.9 | 139.1 | 164.1 | 172.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 386 | N | 24.9 | Very low | 22.9 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -174.8 | 121 | 145.3 | -90.3 | -26.7 | 0 | 0 | 0 | 106.5 | ||||
| 387 | S | 22.7 | Very low | 22.8 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | cis | 57.4 | 86.9 | 43 | 79.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 388 | G | 24.7 | Very low | 22.7 | Very low | 67 Ų | 67 | 138 Ų | 138 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | -134.2 | 103.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 389 | I | 22.2 | Very low | 22.9 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | 64.2 | 87 | 86.2 | -62 | 168.5 | 0 | 0 | 0 | 108.4 | |||||
| 390 | Q | 20.3 | Very low | 22.8 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | 94.1 | 139.8 | 78.7 | -92.3 | -171.1 | -13 | 0 | 0 | 112.5 | |||||
| 391 | F | 19.6 | Very low | 23 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | 17 | 129.3 | 159.8 | -55.8 | -80.3 | 0 | 0 | 0 | 119.9 | ||||
| 392 | L | 20 | Very low | 22.9 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | -168.3 | 157.3 | 94.4 | -99.3 | 165.5 | 0 | 0 | 0 | 113.5 | |||||
| 393 | T | 19.8 | Very low | 23.1 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 63% | 0.632 | 78% | 0.778 | S | S | * | * | trans | -106.5 | 144.3 | -175.4 | 44.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 394 | F | 26.3 | Very low | 23.2 | Very low | 193 Ų | 193 | 142 Ų | 142 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | 61.5 | 149 | 167.7 | -60.6 | -69.6 | 0 | 0 | 0 | 116.9 | ||||
| 395 | P | 25.6 | Very low | 23.1 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | -136.8 | 136.8 | 99.1 | 35.1 | -22.6 | 0 | 0 | 0 | 114.1 | |||||
| 396 | N | 22.5 | Very low | 23.3 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | -83.3 | 143.2 | 130 | -83.7 | -15.2 | 0 | 0 | 0 | 106.1 | |||||
| 397 | D | 23.9 | Very low | 23.6 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | 176.7 | 160.1 | 121.7 | -86.8 | -21.8 | 0 | 0 | 0 | 110.9 | |||||
| 398 | N | 20.9 | Very low | 23.8 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -74.9 | 146.3 | 169.8 | -58.6 | -59.3 | 0 | 0 | 0 | 109.3 | ||||
| 399 | D | 22.7 | Very low | 23.9 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | -171.3 | 166 | 121.1 | -102.4 | -22.5 | 0 | 0 | 0 | 115.3 | |||||
| 400 | T | 22.2 | Very low | 24 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -49.5 | 150.4 | -177.7 | 53.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 401 | L | 25.4 | Very low | 24.3 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -164.9 | 162.3 | 140.5 | -109.7 | 166 | 0 | 0 | 0 | 114 | ||||
| 402 | N | 21.4 | Very low | 24.5 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -88.4 | 159 | -164.3 | -63.3 | -49.8 | 0 | 0 | 0 | 116 | ||||
| 403 | C | 26.2 | Very low | 24.7 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 92% | 0.919 | 79% | 0.792 | S | S | * | * | trans | -163.4 | 161.9 | 142.6 | -100.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 404 | T | 24.4 | Very low | 24.9 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | -123.4 | 171.8 | -161.9 | 43.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 405 | T | 28 | Very low | 24.7 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | 75.3 | 138.9 | 173.2 | 75.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 406 | L | 26.1 | Very low | 24.6 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | cis | -138.1 | 171.3 | 1.3 | -105.1 | 134.9 | 0 | 0 | 0 | 109.2 | ||||
| 407 | P | 31.8 | Very low | 24.8 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | trans | -102.2 | 145.2 | -170.5 | 37.2 | -30.1 | 0 | 0 | 0 | 115.6 | ||||
| 408 | H | 26.6 | Very low | 25 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -161.8 | 106.8 | 136.8 | -109.2 | -74.7 | 0 | 0 | 0 | 110.3 | ||||
| 409 | N | 26.6 | Very low | 25.1 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | 20.3 | 105.1 | 165.8 | -63.7 | 0.5 | 0 | 0 | 0 | 120.9 | ||||
| 410 | S | 24.3 | Very low | 25.3 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | 45.8 | 107.7 | 127.3 | 66 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 411 | V | 27.1 | Very low | 25.3 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | 167 | 129.2 | 106.4 | 159.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 412 | V | 22.4 | Very low | 25.3 | Very low | 138 Ų | 138 | 148 Ų | 148 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -87.5 | 132.5 | 168.4 | 171.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 413 | L | 24.7 | Very low | 25.3 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | trans | -165.7 | 123.3 | 146.4 | -109 | 162.9 | 0 | 0 | 0 | 113.6 | ||||
| 414 | Q | 23.4 | Very low | 25.2 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 72% | 0.715 | 80% | 0.797 | S | S | * | * | trans | 35.8 | 141 | 152 | -78.7 | 176.3 | -13.9 | 0 | 0 | 123.6 | F416 | Q414-F416 PolarHBondContact O-N 3.41Š| ||
| 415 | S | 22.5 | Very low | 25.2 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -55.4 | 114 | 163.4 | 52 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 416 | F | 23.8 | Very low | 24.9 | Very low | 190 Ų | 190 | 150 Ų | 150 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | trans | -92 | 121.9 | 167.8 | -87.7 | -94.5 | 0 | 0 | 0 | 111.8 | Q414 | Q414-F416 PolarHBondContact O-N 3.41Š| ||
| 417 | I | 26 | Very low | 24.8 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -106.1 | 131.5 | 161.6 | -67.1 | 178.3 | 0 | 0 | 0 | 106.6 | R419 | I417-R419 PolarHBondContact O-N 3.47Š| ||
| 418 | P | 27.9 | Very low | 24.3 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | -83 | 126.8 | -148.6 | 28.8 | -34 | 0 | 0 | 0 | 114 | ||||
| 419 | R | 23.8 | Very low | 24 | Very low | 248 Ų | 248 | 151 Ų | 151 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | trans | -104.3 | 110.4 | 156.2 | -75 | -177.2 | 174.1 | 178.2 | -1.4 | 108.4 | I417 | I417-R419 PolarHBondContact O-N 3.47Š| ||
| 420 | Y | 26.9 | Very low | 23.9 | Very low | 221 Ų | 221 | 151.5 Ų | 151.5 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -94.1 | 124.5 | 164 | -96.1 | -90.1 | 0 | 0 | 0 | 108.7 | ||||
| 421 | H | 22.9 | Very low | 23.8 | Very low | 186 Ų | 186 | 156.2 Ų | 156.2 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -146.4 | 144.5 | 170.1 | -123.4 | -83.3 | 0 | 0 | 0 | 110.4 | ||||
| 422 | A | 23.9 | Very low | 23.6 | Very low | 90 Ų | 90 | 156 Ų | 156 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | 74.5 | 132.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 423 | A | 23.2 | Very low | 23.7 | Very low | 96 Ų | 96 | 155.1 Ų | 155.1 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | 58.7 | 114.7 | 150 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 424 | E | 23.8 | Very low | 23.6 | Very low | 193 Ų | 193 | 157.1 Ų | 157.1 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | -156.5 | 141.9 | 94.6 | -108.5 | 175.8 | -173.3 | 0 | 0 | 112 | |||||
| 425 | N | 22.8 | Very low | 23.6 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | -76.2 | 140.5 | 160.7 | -71.6 | -48.3 | 0 | 0 | 0 | 107.7 | ||||
| 426 | N | 23 | Very low | 23.6 | Very low | 146 Ų | 146 | 154 Ų | 154 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | 178.3 | 155.6 | 115.1 | -100.9 | -46.4 | 0 | 0 | 0 | 116.8 | |||||
| 427 | L | 23.8 | Very low | 23.7 | Very low | 133 Ų | 133 | 151.8 Ų | 151.8 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | trans | 65.7 | 96.6 | 144.9 | -68.8 | 165.2 | 0 | 0 | 0 | 120.9 | ||||
| 428 | N | 21.3 | Very low | 23.5 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | 67.7 | 126.8 | 109.9 | -87.5 | -17.7 | 0 | 0 | 0 | 122.2 | |||||
| 429 | R | 20 | Very low | 23.5 | Very low | 219 Ų | 219 | 153.7 Ų | 153.7 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | 55.2 | 132.2 | 132.6 | -64.6 | 176.9 | 168.9 | -172.2 | -4.4 | 118.6 | ||||
| 430 | I | 25.2 | Very low | 23.4 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | -169.7 | 135.6 | 106.9 | -97.7 | 155.9 | 0 | 0 | 0 | 112.2 | |||||
| 431 | R | 22.2 | Very low | 23.7 | Very low | 203 Ų | 203 | 143.4 Ų | 143.4 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | 48.5 | 109.5 | 156.5 | -71.2 | 177.3 | -179 | 145 | 0 | 122 | ||||
| 432 | T | 21.9 | Very low | 24.2 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | -50.5 | 148.4 | 123.8 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 433 | D | 25.5 | Very low | 24.3 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -153.2 | 130 | 147.2 | -82.7 | -42.9 | 0 | 0 | 0 | 109.8 | ||||
| 434 | H | 22.4 | Very low | 24.3 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | trans | 27.2 | 154.2 | 133.3 | -60.5 | -72.1 | 0 | 0 | 0 | 121.7 | ||||
| 435 | A | 22 | Very low | 24.1 | Very low | 70 Ų | 70 | 141.1 Ų | 141.1 | 58% | 0.579 | 75% | 0.753 | S | S | * | * | cis | 173.2 | -166.1 | -14.1 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 436 | D | 24.2 | Very low | 24.2 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 87.9 | 101.1 | 151.9 | -59.4 | -5.3 | 0 | 0 | 0 | 122.2 | ||||
| 437 | H | 24.8 | Very low | 24.1 | Very low | 144 Ų | 144 | 139 Ų | 139 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | 87.7 | 116 | 117.1 | -72.9 | -51.1 | 0 | 0 | 0 | 123.9 | |||||
| 438 | N | 22.2 | Very low | 24 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | 67 | 117.3 | 128.3 | -52.2 | -11.3 | 0 | 0 | 0 | 120.5 | |||||
| 439 | L | 28.5 | Very low | 24 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 90% | 0.901 | 76% | 0.763 | S | S | * | * | 179.2 | 154 | 95.7 | -90.6 | 170.6 | 0 | 0 | 0 | 112 | |||||
| 440 | V | 22.1 | Very low | 24.2 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | -128.4 | 139.1 | -175.5 | 167.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 441 | P | 31.9 | Very low | 24.2 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | -141.1 | 168.4 | 111.9 | 21.7 | 0.5 | 0 | 0 | 0 | 115.3 | |||||
| 442 | P | 33.4 | Very low | 24.4 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | trans | -117 | 169.4 | -162 | 42.3 | -32.4 | 0 | 0 | 0 | 115.6 | ||||
| 443 | V | 26.6 | Very low | 25 | Very low | 141 Ų | 141 | 130.8 Ų | 130.8 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -140.9 | 145.4 | 147.4 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 444 | S | 23 | Very low | 25.3 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -57.1 | 147.6 | -175.4 | 39.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 445 | N | 19.2 | Very low | 26.3 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | 69.9 | 97.7 | 50.4 | -110 | 12.8 | 0 | 0 | 0 | 115.5 | |||||
| 446 | S | 24.2 | Very low | 27.3 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -168.6 | 118.2 | 140.5 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 447 | N | 22 | Very low | 29.4 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 61.5 | 111.8 | 151.7 | -54 | -14.8 | 0 | 0 | 0 | 119.1 | ||||
| 448 | L | 22.1 | Very low | 32 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | 70.4 | 121.8 | 63.9 | -69.5 | 165 | 0 | 0 | 0 | 113.4 | |||||
| 449 | G | 20.8 | Very low | 34.5 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | trans | 147.4 | 87.1 | 164 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 450 | M | 23.9 | Very low | 37.1 | Very low | 168 Ų | 168 | 118 Ų | 118 | 83% | 0.828 | 69% | 0.685 | S | S | * | * | trans | 60.8 | 124 | 143 | -57.8 | -51.1 | -171.6 | 0 | 0 | 123 | ||||
| 451 | D | 25.5 | Very low | 39.7 | Very low | 136 Ų | 136 | 116.3 Ų | 116.3 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | trans | 71.3 | 76.8 | 131.5 | -57.6 | -14.1 | 0 | 0 | 0 | 120.4 | S453 | D451-S453 VanDerWaalsContact C-N 3.3Å; D451-S453 PolarHBondContact O-N 3.35Å | ||
| 452 | C | 26.4 | Very low | 41.8 | Very low | 128 Ų | 128 | 114.1 Ų | 114.1 | 87% | 0.865 | 66% | 0.66 | S | S | * | * | trans | -55.3 | 90.3 | 145.3 | -71.2 | 0 | 0 | 0 | 0 | 111.5 | Y454 | C452-Y454 PolarHBondContact O-N 3.29Š| ||
| 453 | S | 33.4 | Very low | 44.5 | Very low | 116 Ų | 116 | 111 Ų | 111 | 81% | 0.811 | 64% | 0.641 | S | S | * | * | trans | -60 | 105.1 | 168.5 | 28.8 | 0 | 0 | 0 | 0 | 110.4 | D451 | D451-S453 VanDerWaalsContact C-N 3.3Å; D451-S453 PolarHBondContact O-N 3.35Å | ||
| 454 | Y | 32.6 | Very low | 46.8 | Very low | 206 Ų | 206 | 113 Ų | 113 | 81% | 0.808 | 63% | 0.634 | S | S | * | * | trans | -59.2 | 128.1 | -174.1 | -123.6 | -98.7 | 0 | 0 | 0 | 111.1 | C452 Q456 | C452-Y454 PolarHBondContact O-N 3.29Å; Y454-Q456 PolarHBondContact O-N 3.31Å | ||
| 455 | P | 43.7 | Very low | 49.7 | Very low | 91 Ų | 91 | 114.7 Ų | 114.7 | 59% | 0.591 | 63% | 0.629 | S | S | * | * | trans | -68.3 | 121.3 | -176.5 | 26.1 | -33.6 | 0 | 0 | 0 | 110.8 | M457 | P455-M457 PolarHBondContact O-N 3.46Š| ||
| 456 | Q | 43.6 | Very low | 52.6 | Low | 156 Ų | 156 | 115.2 Ų | 115.2 | 73% | 0.729 | 62% | 0.618 | S | S | * | * | trans | -48.1 | 107.6 | 178.1 | -77.5 | -176.3 | -14.8 | 0 | 0 | 111.5 | Y454 F458 | Y454-Q456 PolarHBondContact O-N 3.31Å; Q456-F458 WeakPolarHBondContact O-CD2 3.48Å; Q456-F458 WeakPolarHBondContact O-CE2 3.29Å; Q456-F458 PolarHBondContact O-N 3.31Å | ||
| 457 | M | 68 | Low | 55.6 | Low | 86 Ų | 86 | 112.1 Ų | 112.1 | 42% | 0.424 | 59% | 0.592 | S | S | . | * | trans | -83 | 116.9 | 178.1 | -63.6 | -166.4 | 88.3 | 0 | 0 | 110.1 | P455 S459 R466 | P455-M457 PolarHBondContact O-N 3.46Å; M457-S459 PolarHBondContact O-N 2.82Å; M457-R466 HydrophobicContact CB-CB 4.35Å; M457-R466 HydrophobicContact CE-CB 3.83Å; M457-R466 HydrophobicContact SD-CB 4.42Å | ||
| 458 | F | 78.2 | Confident | 58.3 | Low | 77 Ų | 77 | 112.9 Ų | 112.9 | 34% | 0.338 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.9 | 104 | 179.6 | -62.3 | -85.4 | 0 | 0 | 0 | 110.7 | Q456 F467 L473 | Q456-F458 WeakPolarHBondContact O-CD2 3.48Å; Q456-F458 WeakPolarHBondContact O-CE2 3.29Å; Q456-F458 PolarHBondContact O-N 3.31Å; F458-F467 PolarHBondContact N-O 2.89Å; F458-F467 WeakPolarHBondContact O-CD2 3.49Å; F458-F467 PolarHBondContact O-N 3.46Å; F458-L473 HydrophobicContact CB-CB 4.1Å; F458-L473 HydrophobicContact CB-CD2 3.76Å |
| 459 | S | 76.4 | Confident | 61.3 | Low | 58 Ų | 58 | 110.1 Ų | 110.1 | 41% | 0.406 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70 | 138.8 | 171.6 | -44.5 | 0 | 0 | 0 | 0 | 111.4 | M457 | M457-S459 PolarHBondContact O-N 2.82Å |
| 460 | C | 82.2 | Confident | 64.2 | Low | 0 Ų | 0 | 108.9 Ų | 108.9 | 0% | 0 | 56% | 0.556 | C | S | . | * | trans | -79 | 122.1 | 165.5 | 176 | 0 | 0 | 0 | 0 | 110.9 | V462 C463 Y464 K465 F467 L473 H476 M477 | C460-V462 PolarHBondContact O-N 3.07Å; C460-V462 VanDerWaalsContact O-N 3.11Å; C460-V462 PolarHBondContact SG-N 3.43Å; C460-V462 VanDerWaalsContact SG-N 3.4Å; C460-C463 PolarHBondContact O-N 3.35Å; C460-Y464 WeakPolarHBondContact O-CA 3.37Å; C460-Y464 PolarHBondContact O-N 3.5Å; C460-K465 PolarHBondContact N-O 3.13Å; C460-F467 HydrophobicContact CB-CE2 4.09Å; C460-L473 HydrophobicContact CB-CD1 3.67Å; C460-H476 VanDerWaalsContact SG-CD2 3.53Å; C460-H476 PolarHBondContact SG-NE2 3.35Å; C460-M477 WeakPolarHBondContact SG-CE 3.13Å | ||
| 461 | P | 76.6 | Confident | 66.8 | Low | 89 Ų | 89 | 110.3 Ų | 110.3 | 58% | 0.578 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -11.6 | 179.3 | 26.4 | -34.8 | 0 | 0 | 0 | 114.4 | M477 | P461-M477 HydrophobicContact CG-SD 4.21Š|
| 462 | V | 76.4 | Confident | 69.7 | Low | 80 Ų | 80 | 106.4 Ų | 106.4 | 49% | 0.485 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -12.9 | -176.3 | -168.5 | 0 | 0 | 0 | 0 | 112.9 | C460 M477 H480 | C460-V462 PolarHBondContact O-N 3.07Å; C460-V462 VanDerWaalsContact O-N 3.11Å; C460-V462 PolarHBondContact SG-N 3.43Å; C460-V462 VanDerWaalsContact SG-N 3.4Å; V462-M477 HydrophobicContact CB-CE 4.07Å; V462-M477 HydrophobicContact CG2-CE 3.71Å; V462-H480 WeakPolarHBondContact CG1-ND1 3.17Å |
| 463 | C | 88.9 | Confident | 72.7 | Confident | 45 Ų | 45 | 101.6 Ų | 101.6 | 30% | 0.304 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151 | 12.4 | 173.1 | 75.4 | 0 | 0 | 0 | 0 | 115.3 | C460 K465 H476 | C460-C463 PolarHBondContact O-N 3.35Å; C463-K465 PolarHBondContact O-N 3.03Å; C463-H476 PolarHBondContact SG-CE1 3.24Å; C463-H476 PolarHBondContact SG-NE2 3.13Å |
| 464 | Y | 75.8 | Confident | 74.8 | Confident | 183 Ų | 183 | 103.9 Ų | 103.9 | 72% | 0.718 | 49% | 0.492 | S | S | * | . | trans | 54.6 | 5.3 | 177.8 | -61 | -82.2 | 0 | 0 | 0 | 117.5 | C460 R466 | C460-Y464 WeakPolarHBondContact O-CA 3.37Å; C460-Y464 PolarHBondContact O-N 3.5Å; Y464-R466 PolarHBondContact O-N 3.49Å | ||
| 465 | K | 83.5 | Confident | 77.1 | Confident | 138 Ų | 138 | 98 Ų | 98 | 60% | 0.6 | 48% | 0.477 | S | S | * | . | trans | -61.7 | 127.9 | 173 | -68.6 | -175.3 | -179.7 | -175.3 | 0 | 110.4 | C460 C463 F467 | C460-K465 PolarHBondContact N-O 3.13Å; C463-K465 PolarHBondContact O-N 3.03Å; K465-F467 HydrophobicContact CB-CE2 3.95Å; K465-F467 HydrophobicContact CB-CZ 4.06Å; K465-F467 VanDerWaalsContact O-CD2 3.26Å; K465-F467 WeakPolarHBondContact O-CD2 3.31Å; K465-F467 WeakPolarHBondContact O-CE2 3.44Å | ||
| 466 | R | 80.9 | Confident | 79.2 | Confident | 175 Ų | 175 | 94.9 Ų | 94.9 | 66% | 0.66 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 140.3 | -179.4 | -65.2 | -178.2 | 175.8 | 175.8 | -2.1 | 111.2 | M457 Y464 | M457-R466 HydrophobicContact CB-CB 4.35Å; M457-R466 HydrophobicContact CE-CB 3.83Å; M457-R466 HydrophobicContact SD-CB 4.42Å; Y464-R466 PolarHBondContact O-N 3.49Å |
| 467 | F | 87.4 | Confident | 80.9 | Confident | 41 Ų | 41 | 90 Ų | 90 | 18% | 0.18 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.1 | -179.4 | -62.7 | -84.6 | 0 | 0 | 0 | 111 | F458 C460 K465 L469 L473 H476 | F458-F467 PolarHBondContact N-O 2.89Å; F458-F467 WeakPolarHBondContact O-CD2 3.49Å; F458-F467 PolarHBondContact O-N 3.46Å; C460-F467 HydrophobicContact CB-CE2 4.09Å; K465-F467 HydrophobicContact CB-CE2 3.95Å; K465-F467 HydrophobicContact CB-CZ 4.06Å; K465-F467 VanDerWaalsContact O-CD2 3.26Å; K465-F467 WeakPolarHBondContact O-CD2 3.31Å; K465-F467 WeakPolarHBondContact O-CE2 3.44Å; F467-L469 PolarHBondContact O-N 3.33Å; F467-L473 HydrophobicContact CB-CB 4.24Å; F467-L473 HydrophobicContact CD2-CB 4.03Å; F467-L473 HydrophobicContact CD2-CD1 3.88Å; F467-L473 HydrophobicContact CE2-CD1 4.09Å; F467-L473 HydrophobicContact CG-CB 4.27Å; F467-H476 HydrophobicContact CE1-CB 3.96Å; F467-H476 HydrophobicContact CE2-CB 3.98Å; F467-H476 AromaticContact CE2-CD2 3.49Å; F467-H476 VanDerWaalsContact CE2-CD2 3.49Å; F467-H476 WeakPolarHBondContact CE2-CD2 3.11Å; F467-H476 AromaticContact CE2-CG 3.67Å; F467-H476 HydrophobicContact CZ-CB 3.52Å; F467-H476 AromaticContact CZ-CD2 3.57Å; F467-H476 AromaticContact CZ-CG 3.25Å; F467-H476 AromaticContact CZ-ND1 3.62Å |
| 468 | Q | 78 | Confident | 81.3 | Confident | 157 Ų | 157 | 91.1 Ų | 91.1 | 73% | 0.734 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -65.7 | -13.3 | 176.8 | -71.7 | 175.6 | -30.2 | 0 | 0 | 114.4 | ||
| 469 | L | 84.4 | Confident | 80.9 | Confident | 111 Ų | 111 | 94.5 Ų | 94.5 | 58% | 0.581 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -137.8 | 131.7 | -176.4 | -64.4 | 172.6 | 0 | 0 | 0 | 110.5 | F467 R471 S472 L473 | F467-L469 PolarHBondContact O-N 3.33Å; L469-R471 PolarHBondContact O-N 3.15Å; L469-S472 WeakPolarHBondContact O-CA 3.45Å; L469-S472 WeakPolarHBondContact O-CB 3.47Å; L469-S472 PolarHBondContact O-N 3.5Å; L469-L473 PolarHBondContact O-N 2.9Å; L469-L473 VanDerWaalsContact O-N 3.16Å |
| 470 | S | 81.3 | Confident | 80.5 | Confident | 45 Ų | 45 | 94.4 Ų | 94.4 | 32% | 0.315 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57.4 | -25.3 | 175.9 | 74.5 | 0 | 0 | 0 | 0 | 113.2 | R474 | S470-R474 WeakPolarHBondContact O-CB 3.48Å; S470-R474 PolarHBondContact O-N 3.13Å; S470-R474 PolarHBondContact O-NE 3.09Å; S470-R474 PolarHBondContact OG-NH2 3.04Å; S470-R474 VanDerWaalsContact OG-NH2 3.09Å |
| 471 | R | 79.8 | Confident | 78.8 | Confident | 199 Ų | 199 | 98.6 Ų | 98.6 | 75% | 0.751 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.4 | -37.5 | 173.1 | -169.2 | 177.7 | -173.2 | 176.8 | 4.4 | 112.4 | L469 R474 V475 | L469-R471 PolarHBondContact O-N 3.15Å; R471-R474 PolarHBondContact O-N 2.93Å; R471-V475 WeakPolarHBondContact O-CG2 3.37Å; R471-V475 PolarHBondContact O-N 3.45Å |
| 472 | S | 86.7 | Confident | 77.1 | Confident | 53 Ų | 53 | 101.8 Ų | 101.8 | 37% | 0.371 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.1 | -41.6 | 176.2 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | L469 V475 H476 | L469-S472 WeakPolarHBondContact O-CA 3.45Å; L469-S472 WeakPolarHBondContact O-CB 3.47Å; L469-S472 PolarHBondContact O-N 3.5Å; S472-V475 PolarHBondContact O-N 3.27Å; S472-H476 WeakPolarHBondContact O-CB 3.35Å; S472-H476 PolarHBondContact O-N 3.19Å |
| 473 | L | 88.4 | Confident | 75.4 | Confident | 28 Ų | 28 | 103.1 Ų | 103.1 | 15% | 0.147 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -58.9 | -47.9 | 170.1 | 175.7 | 59.9 | 0 | 0 | 0 | 111.3 | F458 C460 F467 L469 V475 H476 M477 | F458-L473 HydrophobicContact CB-CB 4.1Å; F458-L473 HydrophobicContact CB-CD2 3.76Å; C460-L473 HydrophobicContact CB-CD1 3.67Å; F467-L473 HydrophobicContact CB-CB 4.24Å; F467-L473 HydrophobicContact CD2-CB 4.03Å; F467-L473 HydrophobicContact CD2-CD1 3.88Å; F467-L473 HydrophobicContact CE2-CD1 4.09Å; F467-L473 HydrophobicContact CG-CB 4.27Å; L469-L473 PolarHBondContact O-N 2.9Å; L469-L473 VanDerWaalsContact O-N 3.16Å; L473-V475 PolarHBondContact O-N 3.29Å; L473-H476 CarbonylContact O-C 3.6Å; L473-H476 WeakPolarHBondContact O-CA 3.38Å; L473-H476 WeakPolarHBondContact O-CB 3.45Å; L473-H476 PolarHBondContact O-N 2.78Å; L473-M477 HydrophobicContact CD1-CG 3.64Å; L473-M477 HydrophobicContact CD1-SD 4.21Å; L473-M477 HydrophobicContact CG-CG 4.02Å; L473-M477 VanDerWaalsContact O-CG 3.3Å; L473-M477 WeakPolarHBondContact O-CG 3.49Å; L473-M477 PolarHBondContact O-N 2.9Å |
| 474 | R | 78.9 | Confident | 72.7 | Confident | 164 Ų | 164 | 104.6 Ų | 104.6 | 62% | 0.619 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.9 | -42.4 | 177.4 | -83.8 | -179 | -83.4 | -165.3 | -7.3 | 113.2 | S470 R471 H476 M477 L478 | S470-R474 WeakPolarHBondContact O-CB 3.48Å; S470-R474 PolarHBondContact O-N 3.13Å; S470-R474 PolarHBondContact O-NE 3.09Å; S470-R474 PolarHBondContact OG-NH2 3.04Å; S470-R474 VanDerWaalsContact OG-NH2 3.09Å; R471-R474 PolarHBondContact O-N 2.93Å; R474-H476 VanDerWaalsContact C-N 3.27Å; R474-H476 PolarHBondContact O-N 3.3Å; R474-M477 PolarHBondContact O-N 3.49Å; R474-L478 WeakPolarHBondContact O-CG 3.4Å; R474-L478 PolarHBondContact O-N 3.32Å; R474-L478 VanDerWaalsContact O-N 3.08Å |
| 475 | V | 80.9 | Confident | 70.4 | Confident | 82 Ų | 82 | 101.5 Ų | 101.5 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -30.3 | 175.2 | 170.6 | 0 | 0 | 0 | 0 | 112.2 | R471 S472 L473 | R471-V475 WeakPolarHBondContact O-CG2 3.37Å; R471-V475 PolarHBondContact O-N 3.45Å; S472-V475 PolarHBondContact O-N 3.27Å; L473-V475 PolarHBondContact O-N 3.29Å |
| 476 | H | 87 | Confident | 67.8 | Low | 26 Ų | 26 | 104.2 Ų | 104.2 | 12% | 0.12 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -76.3 | -41.1 | 174.8 | 172.3 | 77.2 | 0 | 0 | 0 | 112.6 | C460 C463 F467 S472 L473 R474 L478 R479 H480 | C460-H476 VanDerWaalsContact SG-CD2 3.53Å; C460-H476 PolarHBondContact SG-NE2 3.35Å; C463-H476 PolarHBondContact SG-CE1 3.24Å; C463-H476 PolarHBondContact SG-NE2 3.13Å; F467-H476 HydrophobicContact CE1-CB 3.96Å; F467-H476 HydrophobicContact CE2-CB 3.98Å; F467-H476 AromaticContact CE2-CD2 3.49Å; F467-H476 VanDerWaalsContact CE2-CD2 3.49Å; F467-H476 WeakPolarHBondContact CE2-CD2 3.11Å; F467-H476 AromaticContact CE2-CG 3.67Å; F467-H476 HydrophobicContact CZ-CB 3.52Å; F467-H476 AromaticContact CZ-CD2 3.57Å; F467-H476 AromaticContact CZ-CG 3.25Å; F467-H476 AromaticContact CZ-ND1 3.62Å; S472-H476 WeakPolarHBondContact O-CB 3.35Å; S472-H476 PolarHBondContact O-N 3.19Å; L473-H476 CarbonylContact O-C 3.6Å; L473-H476 WeakPolarHBondContact O-CA 3.38Å; L473-H476 WeakPolarHBondContact O-CB 3.45Å; L473-H476 PolarHBondContact O-N 2.78Å; R474-H476 VanDerWaalsContact C-N 3.27Å; R474-H476 PolarHBondContact O-N 3.3Å; H476-L478 VanDerWaalsContact C-N 3.29Å; H476-L478 PolarHBondContact O-N 2.92Å; H476-R479 WeakPolarHBondContact O-CA 3.46Å; H476-R479 VanDerWaalsContact O-CB 3.24Å; H476-R479 WeakPolarHBondContact O-CB 3.27Å; H476-R479 PolarHBondContact O-N 3.26Å; H476-H480 AromaticContact CE1-CD2 3.97Å; H476-H480 AromaticContact CE1-NE2 3.61Å; H476-H480 AromaticContact NE2-CD2 3.56Å; H476-H480 AromaticContact NE2-NE2 3.3Å; H476-H480 PolarHBondContact NE2-NE2 3.27Å |
| 477 | M | 78.9 | Confident | 65 | Low | 52 Ų | 52 | 101.2 Ų | 101.2 | 26% | 0.256 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.1 | -34.3 | 175.9 | -66.3 | -90.4 | 53.1 | 0 | 0 | 112.2 | C460 P461 V462 L473 R474 R479 H480 S481 | C460-M477 WeakPolarHBondContact SG-CE 3.13Å; P461-M477 HydrophobicContact CG-SD 4.21Å; V462-M477 HydrophobicContact CB-CE 4.07Å; V462-M477 HydrophobicContact CG2-CE 3.71Å; L473-M477 HydrophobicContact CD1-CG 3.64Å; L473-M477 HydrophobicContact CD1-SD 4.21Å; L473-M477 HydrophobicContact CG-CG 4.02Å; L473-M477 VanDerWaalsContact O-CG 3.3Å; L473-M477 WeakPolarHBondContact O-CG 3.49Å; L473-M477 PolarHBondContact O-N 2.9Å; R474-M477 PolarHBondContact O-N 3.49Å; M477-R479 PolarHBondContact O-N 3.01Å; M477-R479 VanDerWaalsContact O-N 3.09Å; M477-H480 HydrophobicContact CE-CB 3.86Å; M477-H480 PolarHBondContact O-N 2.59Å; M477-S481 PolarHBondContact O-N 3.23Å |
| 478 | L | 75.9 | Confident | 62.1 | Low | 110 Ų | 110 | 109.8 Ų | 109.8 | 58% | 0.576 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.6 | -8.7 | 168.5 | -74 | 168.8 | 0 | 0 | 0 | 114.4 | R474 H476 S481 M482 | R474-L478 WeakPolarHBondContact O-CG 3.4Å; R474-L478 PolarHBondContact O-N 3.32Å; R474-L478 VanDerWaalsContact O-N 3.08Å; H476-L478 VanDerWaalsContact C-N 3.29Å; H476-L478 PolarHBondContact O-N 2.92Å; L478-S481 WeakPolarHBondContact CA-OG 3.43Å; L478-S481 PolarHBondContact O-OG 3.15Å; L478-M482 WeakPolarHBondContact O-CE 3.43Å |
| 479 | R | 70.4 | Confident | 59.4 | Low | 148 Ų | 148 | 110.9 Ų | 110.9 | 56% | 0.558 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -88.8 | -39.6 | 168.2 | -58.1 | -175 | -177.5 | -177.6 | 2.8 | 111.9 | H476 M477 S481 M482 | H476-R479 WeakPolarHBondContact O-CA 3.46Å; H476-R479 VanDerWaalsContact O-CB 3.24Å; H476-R479 WeakPolarHBondContact O-CB 3.27Å; H476-R479 PolarHBondContact O-N 3.26Å; M477-R479 PolarHBondContact O-N 3.01Å; M477-R479 VanDerWaalsContact O-N 3.09Å; R479-S481 VanDerWaalsContact C-N 3.33Å; R479-M482 PolarHBondContact O-N 2.76Å; R479-M482 VanDerWaalsContact O-N 3.16Å |
| 480 | H | 68.1 | Low | 56.6 | Low | 56 Ų | 56 | 116.9 Ų | 116.9 | 26% | 0.259 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.3 | -41.4 | 173.4 | -77.2 | -81.4 | 0 | 0 | 0 | 111 | V462 H476 M477 M482 V483 | V462-H480 WeakPolarHBondContact CG1-ND1 3.17Å; H476-H480 AromaticContact CE1-CD2 3.97Å; H476-H480 AromaticContact CE1-NE2 3.61Å; H476-H480 AromaticContact NE2-CD2 3.56Å; H476-H480 AromaticContact NE2-NE2 3.3Å; H476-H480 PolarHBondContact NE2-NE2 3.27Å; M477-H480 HydrophobicContact CE-CB 3.86Å; M477-H480 PolarHBondContact O-N 2.59Å; H480-M482 PolarHBondContact O-N 2.96Å; H480-V483 PolarHBondContact O-N 3.36Å; H480-V483 VanDerWaalsContact O-O 3.11Å |
| 481 | S | 46.2 | Very low | 53.8 | Low | 89 Ų | 89 | 122.1 Ų | 122.1 | 62% | 0.622 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 2.2 | 175.2 | 75 | 0 | 0 | 0 | 0 | 115.2 | M477 L478 R479 | M477-S481 PolarHBondContact O-N 3.23Å; L478-S481 WeakPolarHBondContact CA-OG 3.43Å; L478-S481 PolarHBondContact O-OG 3.15Å; R479-S481 VanDerWaalsContact C-N 3.33Å |
| 482 | M | 40.8 | Very low | 51.3 | Low | 156 Ų | 156 | 118.3 Ų | 118.3 | 77% | 0.768 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 4.3 | 173.7 | -70.8 | -162.5 | -68.6 | 0 | 0 | 113.4 | L478 R479 H480 | L478-M482 WeakPolarHBondContact O-CE 3.43Å; R479-M482 PolarHBondContact O-N 2.76Å; R479-M482 VanDerWaalsContact O-N 3.16Å; H480-M482 PolarHBondContact O-N 2.96Å |
| 483 | V | 41.8 | Very low | 48.4 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 65% | 0.648 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -120.8 | 120.2 | 172.5 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | H480 C485 | H480-V483 PolarHBondContact O-N 3.36Å; H480-V483 VanDerWaalsContact O-O 3.11Å; V483-C485 PolarHBondContact O-N 3Å |
| 484 | G | 32.7 | Very low | 45.4 | Very low | 76 Ų | 76 | 127.7 Ų | 127.7 | 78% | 0.784 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 118.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | K486 | G484-K486 PolarHBondContact O-N 3.26Š|
| 485 | C | 26.6 | Very low | 42.6 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 80% | 0.797 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 122.1 | 173.7 | -65.5 | 0 | 0 | 0 | 0 | 109.8 | V483 | V483-C485 PolarHBondContact O-N 3Š|
| 486 | K | 27.8 | Very low | 40 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 85% | 0.852 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 136.2 | 141.1 | -77.7 | -167 | 171.3 | -167.4 | 0 | 106.9 | G484 | G484-K486 PolarHBondContact O-N 3.26Š|
| 487 | S | 22.4 | Very low | 36.8 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 138.1 | 172.5 | 33.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 488 | Y | 28.1 | Very low | 34.2 | Very low | 220 Ų | 220 | 139.8 Ų | 139.8 | 86% | 0.863 | 74% | 0.74 | S | S | * | * | trans | -152.9 | 123.4 | 155.7 | -108 | -75.1 | 0 | 0 | 0 | 108.7 | ||||
| 489 | E | 20 | Very low | 31.8 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | trans | -73.2 | 137.5 | 172.8 | -61.6 | 150.7 | 130.2 | 0 | 0 | 109.9 | ||||
| 490 | R | 26.4 | Very low | 29.5 | Very low | 237 Ų | 237 | 145.2 Ų | 145.2 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | trans | -161.2 | 144 | 137.1 | -126 | 169.4 | -88.5 | -148.6 | -5.2 | 112.8 | ||||
| 491 | I | 23 | Very low | 27.5 | Very low | 156 Ų | 156 | 151.3 Ų | 151.3 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -78.8 | 153.4 | -170.6 | -71.3 | 165.3 | 0 | 0 | 0 | 110.6 | ||||
| 492 | P | 27.3 | Very low | 26.6 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -84.3 | 152.2 | -169 | 33.6 | -36.2 | 0 | 0 | 0 | 114 | ||||
| 493 | I | 25.2 | Very low | 25.8 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -117.5 | 153.5 | 165.7 | -65.8 | 179 | 0 | 0 | 0 | 109.2 | ||||
| 494 | S | 24.4 | Very low | 24.8 | Very low | 108 Ų | 108 | 157.9 Ų | 157.9 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -73 | 167.9 | -151.5 | 47.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 495 | Q | 20.8 | Very low | 24.4 | Very low | 175 Ų | 175 | 160.6 Ų | 160.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -51 | 145.9 | 166.3 | -59 | 148.8 | -19.5 | 0 | 0 | 111.8 | ||||
| 496 | N | 25.6 | Very low | 24.3 | Very low | 169 Ų | 169 | 165 Ų | 165 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | -151.7 | 160 | 136.1 | -110.3 | -24.5 | 0 | 0 | 0 | 110.7 | ||||
| 497 | S | 20.9 | Very low | 24.1 | Very low | 87 Ų | 87 | 162.9 Ų | 162.9 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | trans | -140.9 | 172.2 | -144.9 | 63.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 498 | I | 23.7 | Very low | 24.2 | Very low | 148 Ų | 148 | 164.1 Ų | 164.1 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | 67.3 | 108 | 161.7 | -51.3 | 157.1 | 0 | 0 | 0 | 115 | ||||
| 499 | Q | 26.9 | Very low | 24 | Very low | 181 Ų | 181 | 159 Ų | 159 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | 178.6 | 114.9 | 104.5 | -85.5 | -165.1 | 17 | 0 | 0 | 110.9 | |||||
| 500 | Q | 21.5 | Very low | 24.1 | Very low | 191 Ų | 191 | 159.8 Ų | 159.8 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -98.2 | 137.1 | 151.9 | -70 | 177.2 | -17.3 | 0 | 0 | 107 | ||||
| 501 | K | 26.3 | Very low | 24.1 | Very low | 184 Ų | 184 | 155.5 Ų | 155.5 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -165.1 | 150 | 151.6 | -115.3 | 170.2 | -175 | -180 | 0 | 112.8 | ||||
| 502 | N | 27.6 | Very low | 24.1 | Very low | 142 Ų | 142 | 153.8 Ų | 153.8 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | 69.1 | 146.1 | 159.2 | -55 | -12.8 | 0 | 0 | 0 | 118.5 | ||||
| 503 | M | 22.6 | Very low | 23.9 | Very low | 147 Ų | 147 | 155.1 Ų | 155.1 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | cis | 178.1 | 154.2 | -35.4 | -113.4 | -73.2 | -151.7 | 0 | 0 | 106 | ||||
| 504 | R | 21.9 | Very low | 24.1 | Very low | 200 Ų | 200 | 156.5 Ų | 156.5 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -35.3 | 148.6 | 174.1 | -58.9 | 159.8 | 170.3 | 154.8 | -6 | 116.6 | ||||
| 505 | N | 24.2 | Very low | 24.3 | Very low | 133 Ų | 133 | 157.4 Ų | 157.4 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | 178.9 | 151.9 | 101.3 | -97.7 | -33.4 | 0 | 0 | 0 | 117.1 | |||||
| 506 | R | 24.9 | Very low | 24.6 | Very low | 211 Ų | 211 | 158 Ų | 158 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | 53.1 | 117.5 | 147 | -65 | 174.7 | 179.5 | -172.3 | -2.5 | 119.3 | ||||
| 507 | L | 21.7 | Very low | 24.7 | Very low | 151 Ų | 151 | 160 Ų | 160 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | 64.2 | 99.7 | 76.5 | -75.2 | 166.3 | 0 | 0 | 0 | 114.5 | |||||
| 508 | N | 24.6 | Very low | 25.1 | Very low | 139 Ų | 139 | 161.4 Ų | 161.4 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | 174.7 | 147.4 | 106.4 | -95.2 | -16.3 | 0 | 0 | 0 | 116.8 | |||||
| 509 | T | 23.7 | Very low | 25.2 | Very low | 112 Ų | 112 | 160 Ų | 160 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | trans | 52.4 | 120.8 | 146.4 | 57.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 510 | K | 23.2 | Very low | 25.3 | Very low | 197 Ų | 197 | 156 Ų | 156 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | 55.2 | 98.9 | 132.8 | -62.3 | -178.4 | 178.6 | 177.9 | 0 | 119.8 | ||||
| 511 | T | 26 | Very low | 25.8 | Very low | 146 Ų | 146 | 158.2 Ų | 158.2 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | trans | -139.5 | 131.3 | 138.4 | 45.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 512 | C | 22.8 | Very low | 26.2 | Very low | 121 Ų | 121 | 158 Ų | 158 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -77.3 | 162.3 | 166.4 | -77.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 513 | D | 24.3 | Very low | 26.5 | Very low | 146 Ų | 146 | 158.6 Ų | 158.6 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | 53 | 97.9 | 166.6 | -70.9 | -37.2 | 0 | 0 | 0 | 119.3 | ||||
| 514 | K | 29 | Very low | 26.9 | Very low | 199 Ų | 199 | 156.8 Ų | 156.8 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | -159.5 | 107.5 | 128.8 | -100.9 | 134.3 | -163.1 | 166.1 | 0 | 112.7 | K516 | K514-K516 VanDerWaalsContact C-N 3.26Å; K514-K516 PolarHBondContact O-N 2.88Å | |||
| 515 | S | 27.5 | Very low | 27.6 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -70.2 | 70.7 | 167.5 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 516 | K | 26.9 | Very low | 28.4 | Very low | 187 Ų | 187 | 157 Ų | 157 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -149.7 | 134.8 | 172.4 | -101.9 | 164.3 | -171.1 | 169.3 | 0 | 112.6 | K514 | K514-K516 VanDerWaalsContact C-N 3.26Å; K514-K516 PolarHBondContact O-N 2.88Å | ||
| 517 | K | 27.7 | Very low | 30 | Very low | 210 Ų | 210 | 152.5 Ų | 152.5 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | trans | 81.6 | 92.2 | 173.1 | -56.9 | -179.5 | 179.2 | 177.3 | 0 | 118.3 | ||||
| 518 | S | 29.7 | Very low | 32.7 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -144.8 | 40 | 133.4 | 67.1 | 0 | 0 | 0 | 0 | 112.7 | S520 | S518-S520 VanDerWaalsContact C-N 3.32Å; S518-S520 PolarHBondContact O-N 3.25Å | ||
| 519 | C | 25.5 | Very low | 35.4 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | -89.2 | 65.2 | 171.8 | -167 | 0 | 0 | 0 | 0 | 111 | ||||
| 520 | S | 29 | Very low | 38.1 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | trans | -154.3 | 65.2 | -178.3 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | S518 | S518-S520 VanDerWaalsContact C-N 3.32Å; S518-S520 PolarHBondContact O-N 3.25Å | ||
| 521 | R | 32.2 | Very low | 40.5 | Very low | 236 Ų | 236 | 140.9 Ų | 140.9 | 89% | 0.891 | 71% | 0.71 | S | S | * | * | trans | -168 | 60.3 | 156 | -106.4 | 165.3 | -166.3 | -176.5 | 5.7 | 110.7 | L523 | R521-L523 PolarHBondContact O-N 3.11Š| ||
| 522 | K | 34.3 | Very low | 42.9 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 78% | 0.778 | 69% | 0.689 | S | S | * | * | trans | -66.9 | 103.9 | 165.5 | -72.4 | 176.5 | -174.9 | 164.3 | 0 | 107.6 | V524 | K522-V524 PolarHBondContact O-N 3.43Š| ||
| 523 | L | 34.2 | Very low | 45.6 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 81% | 0.812 | 66% | 0.661 | S | S | * | * | trans | -57.9 | 122.5 | 175.4 | -87.6 | 84.4 | 0 | 0 | 0 | 109.9 | R521 H525 | R521-L523 PolarHBondContact O-N 3.11Å; L523-H525 PolarHBondContact O-N 2.85Å; L523-H525 VanDerWaalsContact O-N 3.16Å | ||
| 524 | V | 32.5 | Very low | 48 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 67% | 0.667 | 66% | 0.655 | S | S | * | * | trans | -55.6 | 118.8 | 165.9 | 175.9 | 0 | 0 | 0 | 0 | 108.3 | K522 R526 | K522-V524 PolarHBondContact O-N 3.43Å; V524-R526 VanDerWaalsContact C-N 3.27Å; V524-R526 PolarHBondContact O-N 2.9Å | ||
| 525 | H | 34.8 | Very low | 50.5 | Low | 139 Ų | 139 | 130.7 Ų | 130.7 | 64% | 0.644 | 64% | 0.639 | S | S | * | * | trans | -70.7 | 82.2 | -179 | -97.5 | -62.4 | 0 | 0 | 0 | 111.1 | L523 F527 | L523-H525 PolarHBondContact O-N 2.85Å; L523-H525 VanDerWaalsContact O-N 3.16Å; H525-F527 HydrophobicContact CB-CE2 4.47Å; H525-F527 VanDerWaalsContact O-CD2 3.23Å; H525-F527 WeakPolarHBondContact O-CD2 3.24Å; H525-F527 PolarHBondContact O-N 3.32Å | ||
| 526 | R | 42.6 | Very low | 53.2 | Low | 199 Ų | 199 | 127.3 Ų | 127.3 | 75% | 0.751 | 62% | 0.618 | S | S | * | * | trans | -61.9 | 92.5 | 171.7 | -163.5 | 176.5 | -172.6 | 98.2 | 1.5 | 109.7 | V524 N528 | V524-R526 VanDerWaalsContact C-N 3.27Å; V524-R526 PolarHBondContact O-N 2.9Å; R526-N528 PolarHBondContact O-N 3.36Å; R526-N528 PolarHBondContact O-ND2 2.89Å | ||
| 527 | F | 57.6 | Low | 56.1 | Low | 116 Ų | 116 | 120 Ų | 120 | 51% | 0.509 | 59% | 0.586 | S | S | . | * | trans | -64.1 | 119.6 | -179.4 | -76.5 | -81.4 | 0 | 0 | 0 | 110.8 | H525 R529 A536 R538 | H525-F527 HydrophobicContact CB-CE2 4.47Å; H525-F527 VanDerWaalsContact O-CD2 3.23Å; H525-F527 WeakPolarHBondContact O-CD2 3.24Å; H525-F527 PolarHBondContact O-N 3.32Å; F527-R529 PolarHBondContact O-N 2.99Å; F527-R529 VanDerWaalsContact O-N 3.14Å; F527-A536 HydrophobicContact CB-CB 4.14Å; F527-A536 HydrophobicContact CD1-CB 4.19Å; F527-A536 HydrophobicContact CG-CB 4.41Å; F527-R538 HydrophobicContact CE1-CG 4.09Å | ||
| 528 | N | 79.5 | Confident | 58.6 | Low | 48 Ų | 48 | 117.4 Ų | 117.4 | 26% | 0.257 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 99.1 | 179.7 | -72 | -82.6 | 0 | 0 | 0 | 108.6 | R526 F537 V540 L543 | R526-N528 PolarHBondContact O-N 3.36Å; R526-N528 PolarHBondContact O-ND2 2.89Å; N528-F537 PolarHBondContact N-O 2.99Å; N528-F537 WeakPolarHBondContact O-CB 3.49Å; N528-F537 WeakPolarHBondContact O-CD2 3.37Å; N528-F537 PolarHBondContact O-N 3.34Å; N528-V540 WeakPolarHBondContact OD1-CG2 3.5Å; N528-L543 HydrophobicContact CB-CB 4.09Å; N528-L543 HydrophobicContact CB-CD2 3.82Å |
| 529 | R | 81 | Confident | 61.2 | Low | 177 Ų | 177 | 114 Ų | 114 | 67% | 0.668 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 143.2 | 177.4 | -65.5 | -174.5 | -174.5 | -177 | 3.2 | 110.9 | F527 K535 A536 | F527-R529 PolarHBondContact O-N 2.99Å; F527-R529 VanDerWaalsContact O-N 3.14Å; R529-K535 CarbonylContact C-O 3.53Å; R529-K535 WeakPolarHBondContact CA-O 3.08Å; R529-A536 HydrophobicContact CG-CB 4.16Å |
| 530 | C | 79.2 | Confident | 64.1 | Low | 1 Ų | 1 | 111.7 Ų | 111.7 | 1% | 0.007 | 53% | 0.529 | C | S | . | . | trans | -80.7 | 125.7 | 175.8 | -178.6 | 0 | 0 | 0 | 0 | 112 | H532 C533 F534 K535 F537 L543 H546 H551 | C530-H532 PolarHBondContact O-N 3.1Å; C530-C533 PolarHBondContact O-N 2.78Å; C530-F534 WeakPolarHBondContact O-CA 3.37Å; C530-F534 PolarHBondContact O-N 3.15Å; C530-K535 PolarHBondContact N-O 3.39Å; C530-F537 HydrophobicContact CB-CE2 3.98Å; C530-L543 VanDerWaalsContact CA-CD1 3.44Å; C530-L543 HydrophobicContact CB-CD1 3.46Å; C530-L543 VanDerWaalsContact CB-CD1 3.46Å; C530-H546 VanDerWaalsContact SG-CD2 3.51Å; C530-H546 PolarHBondContact SG-NE2 3.26Å; C530-H551 PolarHBondContact SG-CD2 3.23Å; C530-H551 PolarHBondContact SG-NE2 2.8Å | ||
| 531 | I | 75.4 | Confident | 66.7 | Low | 128 Ų | 128 | 112.8 Ų | 112.8 | 66% | 0.656 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -33.3 | -179.3 | -162.1 | 165.9 | 0 | 0 | 0 | 113.2 | ||
| 532 | H | 76.1 | Confident | 69.3 | Low | 95 Ų | 95 | 109.1 Ų | 109.1 | 44% | 0.44 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -13.7 | -176.8 | -51.1 | -74.9 | 0 | 0 | 0 | 115 | C530 H551 | C530-H532 PolarHBondContact O-N 3.1Å; H532-H551 AromaticContact CD2-CD2 3.65Å; H532-H551 AromaticContact CD2-CG 3.61Å; H532-H551 AromaticContact CG-CG 3.84Å |
| 533 | C | 78.2 | Confident | 71.8 | Confident | 35 Ų | 35 | 101.7 Ų | 101.7 | 24% | 0.236 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -150.7 | 8.4 | -179.2 | 79.2 | 0 | 0 | 0 | 0 | 116.1 | C530 K535 H546 H551 | C530-C533 PolarHBondContact O-N 2.78Å; C533-K535 PolarHBondContact O-N 2.89Å; C533-H546 VanDerWaalsContact SG-CE1 3.55Å; C533-H546 PolarHBondContact SG-NE2 2.9Å; C533-H551 WeakPolarHBondContact CB-CE1 3.41Å; C533-H551 PolarHBondContact SG-NE2 2.79Å |
| 534 | F | 75.6 | Confident | 74.1 | Confident | 150 Ų | 150 | 100.8 Ų | 100.8 | 66% | 0.658 | 47% | 0.471 | S | S | * | . | trans | 55.1 | 4.3 | 176.9 | -61.4 | -82.5 | 0 | 0 | 0 | 117.7 | C530 A536 | C530-F534 WeakPolarHBondContact O-CA 3.37Å; C530-F534 PolarHBondContact O-N 3.15Å; F534-A536 PolarHBondContact O-N 2.98Å | ||
| 535 | K | 81 | Confident | 76.3 | Confident | 119 Ų | 119 | 100.1 Ų | 100.1 | 52% | 0.517 | 46% | 0.464 | S | S | . | . | trans | -58.7 | 130.7 | 172.6 | -72.7 | -179.9 | -178.3 | 174 | 0 | 110.9 | R529 C530 C533 F537 | R529-K535 CarbonylContact C-O 3.53Å; R529-K535 WeakPolarHBondContact CA-O 3.08Å; C530-K535 PolarHBondContact N-O 3.39Å; C533-K535 PolarHBondContact O-N 2.89Å; K535-F537 HydrophobicContact CB-CE2 3.63Å; K535-F537 HydrophobicContact CB-CZ 3.82Å; K535-F537 WeakPolarHBondContact O-CD2 3.34Å; K535-F537 WeakPolarHBondContact O-CE2 3.15Å | ||
| 536 | A | 84 | Confident | 78.8 | Confident | 55 Ų | 55 | 94.3 Ų | 94.3 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 132.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F527 R529 F534 | F527-A536 HydrophobicContact CB-CB 4.14Å; F527-A536 HydrophobicContact CD1-CB 4.19Å; F527-A536 HydrophobicContact CG-CB 4.41Å; R529-A536 HydrophobicContact CG-CB 4.16Å; F534-A536 PolarHBondContact O-N 2.98Å |
| 537 | F | 87.6 | Confident | 80.6 | Confident | 34 Ų | 34 | 86.9 Ų | 86.9 | 15% | 0.149 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.6 | 175.7 | -62.7 | -86.3 | 0 | 0 | 0 | 110.8 | N528 C530 K535 S539 R542 L543 H546 | N528-F537 PolarHBondContact N-O 2.99Å; N528-F537 WeakPolarHBondContact O-CB 3.49Å; N528-F537 WeakPolarHBondContact O-CD2 3.37Å; N528-F537 PolarHBondContact O-N 3.34Å; C530-F537 HydrophobicContact CB-CE2 3.98Å; K535-F537 HydrophobicContact CB-CE2 3.63Å; K535-F537 HydrophobicContact CB-CZ 3.82Å; K535-F537 WeakPolarHBondContact O-CD2 3.34Å; K535-F537 WeakPolarHBondContact O-CE2 3.15Å; F537-S539 PolarHBondContact O-N 2.98Å; F537-R542 HydrophobicContact CB-CB 4.2Å; F537-R542 HydrophobicContact CD1-CB 4.03Å; F537-R542 HydrophobicContact CG-CB 4.49Å; F537-L543 HydrophobicContact CB-CB 4.1Å; F537-L543 HydrophobicContact CD2-CB 4.15Å; F537-L543 HydrophobicContact CD2-CD1 3.77Å; F537-L543 HydrophobicContact CE2-CD1 4.12Å; F537-L543 HydrophobicContact CG-CB 4.26Å; F537-H546 HydrophobicContact CD1-CB 4.4Å; F537-H546 HydrophobicContact CE1-CB 3.68Å; F537-H546 AromaticContact CE1-CG 3.85Å; F537-H546 HydrophobicContact CE2-CB 4.04Å; F537-H546 AromaticContact CE2-CD2 3.2Å; F537-H546 WeakPolarHBondContact CE2-CD2 3.28Å; F537-H546 AromaticContact CE2-CG 3.63Å; F537-H546 AromaticContact CE2-NE2 3.85Å; F537-H546 HydrophobicContact CZ-CB 3.49Å; F537-H546 VanDerWaalsContact CZ-CB 3.49Å; F537-H546 AromaticContact CZ-CD2 3.23Å; F537-H546 WeakPolarHBondContact CZ-CD2 3.24Å; F537-H546 AromaticContact CZ-CG 3.15Å; F537-H546 AromaticContact CZ-ND1 3.71Å; F537-H546 AromaticContact CZ-NE2 3.82Å |
| 538 | R | 81.6 | Confident | 81.5 | Confident | 156 Ų | 156 | 88.1 Ų | 88.1 | 59% | 0.589 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -66.1 | -11.7 | 178.6 | -70.1 | -175.7 | 179.1 | 168.8 | -2.7 | 114.2 | F527 | F527-R538 HydrophobicContact CE1-CG 4.09Š|
| 539 | S | 83.8 | Confident | 81.3 | Confident | 45 Ų | 45 | 93.1 Ų | 93.1 | 32% | 0.315 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -151.6 | 152.1 | 176.8 | 67.1 | 0 | 0 | 0 | 0 | 112.2 | F537 N541 R542 L543 | F537-S539 PolarHBondContact O-N 2.98Å; S539-N541 PolarHBondContact O-N 3.44Å; S539-R542 PolarHBondContact O-N 3.3Å; S539-R542 VanDerWaalsContact O-N 3.14Å; S539-R542 PolarHBondContact OG-N 2.76Å; S539-L543 PolarHBondContact O-N 2.85Å |
| 540 | V | 85.2 | Confident | 80.9 | Confident | 71 Ų | 71 | 86.3 Ų | 86.3 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -55.7 | -39.2 | 172.6 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | N528 R542 L543 K544 | N528-V540 WeakPolarHBondContact OD1-CG2 3.5Å; V540-R542 PolarHBondContact O-N 3.14Å; V540-L543 CarbonylContact O-C 3.56Å; V540-L543 WeakPolarHBondContact O-CB 3.42Å; V540-L543 PolarHBondContact O-N 3.2Å; V540-L543 VanDerWaalsContact O-N 3.14Å; V540-K544 HydrophobicContact CG1-CD 4.29Å; V540-K544 HydrophobicContact CG1-CG 4.23Å; V540-K544 WeakPolarHBondContact O-CB 3.45Å; V540-K544 PolarHBondContact O-N 2.78Å |
| 541 | N | 84.1 | Confident | 81 | Confident | 121 Ų | 121 | 87.8 Ų | 87.8 | 65% | 0.647 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.1 | -38.5 | 178.5 | -70.9 | -8.7 | 0 | 0 | 0 | 112.4 | S539 L545 | S539-N541 PolarHBondContact O-N 3.44Å; N541-L545 VanDerWaalsContact O-CB 3.23Å; N541-L545 WeakPolarHBondContact O-CB 3.36Å; N541-L545 PolarHBondContact O-N 2.92Å |
| 542 | R | 87.5 | Confident | 80.2 | Confident | 159 Ų | 159 | 87.7 Ų | 87.7 | 60% | 0.6 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -70.1 | -32.9 | 171.9 | -78.3 | -167 | -178.6 | 175.4 | 6.4 | 112.4 | F537 S539 V540 H546 | F537-R542 HydrophobicContact CB-CB 4.2Å; F537-R542 HydrophobicContact CD1-CB 4.03Å; F537-R542 HydrophobicContact CG-CB 4.49Å; S539-R542 PolarHBondContact O-N 3.3Å; S539-R542 VanDerWaalsContact O-N 3.14Å; S539-R542 PolarHBondContact OG-N 2.76Å; V540-R542 PolarHBondContact O-N 3.14Å; R542-H546 VanDerWaalsContact O-CB 3.25Å; R542-H546 WeakPolarHBondContact O-CB 3.45Å; R542-H546 PolarHBondContact O-N 2.94Å |
| 543 | L | 87.5 | Confident | 78.8 | Confident | 22 Ų | 22 | 85.5 Ų | 85.5 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.6 | -51.9 | 171.8 | 173.4 | 58.3 | 0 | 0 | 0 | 111.2 | N528 C530 F537 S539 V540 L545 H546 I547 | N528-L543 HydrophobicContact CB-CB 4.09Å; N528-L543 HydrophobicContact CB-CD2 3.82Å; C530-L543 VanDerWaalsContact CA-CD1 3.44Å; C530-L543 HydrophobicContact CB-CD1 3.46Å; C530-L543 VanDerWaalsContact CB-CD1 3.46Å; F537-L543 HydrophobicContact CB-CB 4.1Å; F537-L543 HydrophobicContact CD2-CB 4.15Å; F537-L543 HydrophobicContact CD2-CD1 3.77Å; F537-L543 HydrophobicContact CE2-CD1 4.12Å; F537-L543 HydrophobicContact CG-CB 4.26Å; S539-L543 PolarHBondContact O-N 2.85Å; V540-L543 CarbonylContact O-C 3.56Å; V540-L543 WeakPolarHBondContact O-CB 3.42Å; V540-L543 PolarHBondContact O-N 3.2Å; V540-L543 VanDerWaalsContact O-N 3.14Å; L543-L545 VanDerWaalsContact C-N 3.35Å; L543-L545 PolarHBondContact O-N 2.77Å; L543-H546 CarbonylContact O-C 3.56Å; L543-H546 WeakPolarHBondContact O-CA 3.47Å; L543-H546 WeakPolarHBondContact O-CB 3.37Å; L543-H546 PolarHBondContact O-N 3.36Å; L543-I547 HydrophobicContact CD1-CD1 3.76Å; L543-I547 HydrophobicContact CD1-CG1 3.9Å; L543-I547 HydrophobicContact CD2-CD1 4.43Å; L543-I547 HydrophobicContact CG-CD1 3.84Å; L543-I547 HydrophobicContact CG-CG1 4.38Å; L543-I547 WeakPolarHBondContact O-CG1 3.44Å; L543-I547 PolarHBondContact O-N 2.89Å |
| 544 | K | 80.6 | Confident | 77.1 | Confident | 136 Ų | 136 | 93.7 Ų | 93.7 | 59% | 0.591 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -55.1 | -48 | 174.8 | -75.8 | -175.1 | 174.7 | -173.5 | 0 | 111.3 | V540 H546 I547 Y548 | V540-K544 HydrophobicContact CG1-CD 4.29Å; V540-K544 HydrophobicContact CG1-CG 4.23Å; V540-K544 WeakPolarHBondContact O-CB 3.45Å; V540-K544 PolarHBondContact O-N 2.78Å; K544-H546 PolarHBondContact O-N 3.19Å; K544-I547 PolarHBondContact O-N 2.78Å; K544-Y548 VanDerWaalsContact O-CB 3.25Å; K544-Y548 WeakPolarHBondContact O-CB 3.32Å; K544-Y548 PolarHBondContact O-N 3.36Å |
| 545 | L | 80.1 | Confident | 75.5 | Confident | 96 Ų | 96 | 89 Ų | 89 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.4 | -29.1 | 177.5 | -153.7 | 102.4 | 0 | 0 | 0 | 112.4 | N541 L543 K549 | N541-L545 VanDerWaalsContact O-CB 3.23Å; N541-L545 WeakPolarHBondContact O-CB 3.36Å; N541-L545 PolarHBondContact O-N 2.92Å; L543-L545 VanDerWaalsContact C-N 3.35Å; L543-L545 PolarHBondContact O-N 2.77Å; L545-K549 HydrophobicContact CD2-CD 4.06Å; L545-K549 HydrophobicContact CG-CD 4.28Å; L545-K549 WeakPolarHBondContact O-CB 3.25Å; L545-K549 WeakPolarHBondContact O-CG 3.31Å; L545-K549 PolarHBondContact O-N 2.93Å |
| 546 | H | 87.8 | Confident | 74.1 | Confident | 18 Ų | 18 | 88.3 Ų | 88.3 | 8% | 0.083 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -76.9 | -45.4 | 173 | 163.4 | 64.7 | 0 | 0 | 0 | 112.1 | C530 C533 F537 R542 L543 K544 Y548 K549 T550 H551 | C530-H546 VanDerWaalsContact SG-CD2 3.51Å; C530-H546 PolarHBondContact SG-NE2 3.26Å; C533-H546 VanDerWaalsContact SG-CE1 3.55Å; C533-H546 PolarHBondContact SG-NE2 2.9Å; F537-H546 HydrophobicContact CD1-CB 4.4Å; F537-H546 HydrophobicContact CE1-CB 3.68Å; F537-H546 AromaticContact CE1-CG 3.85Å; F537-H546 HydrophobicContact CE2-CB 4.04Å; F537-H546 AromaticContact CE2-CD2 3.2Å; F537-H546 WeakPolarHBondContact CE2-CD2 3.28Å; F537-H546 AromaticContact CE2-CG 3.63Å; F537-H546 AromaticContact CE2-NE2 3.85Å; F537-H546 HydrophobicContact CZ-CB 3.49Å; F537-H546 VanDerWaalsContact CZ-CB 3.49Å; F537-H546 AromaticContact CZ-CD2 3.23Å; F537-H546 WeakPolarHBondContact CZ-CD2 3.24Å; F537-H546 AromaticContact CZ-CG 3.15Å; F537-H546 AromaticContact CZ-ND1 3.71Å; F537-H546 AromaticContact CZ-NE2 3.82Å; R542-H546 VanDerWaalsContact O-CB 3.25Å; R542-H546 WeakPolarHBondContact O-CB 3.45Å; R542-H546 PolarHBondContact O-N 2.94Å; L543-H546 CarbonylContact O-C 3.56Å; L543-H546 WeakPolarHBondContact O-CA 3.47Å; L543-H546 WeakPolarHBondContact O-CB 3.37Å; L543-H546 PolarHBondContact O-N 3.36Å; K544-H546 PolarHBondContact O-N 3.19Å; H546-Y548 VanDerWaalsContact C-N 3.31Å; H546-Y548 PolarHBondContact O-N 2.88Å; H546-K549 PolarHBondContact O-N 2.98Å; H546-T550 PolarHBondContact CE1-OG1 3.42Å; H546-T550 PolarHBondContact ND1-OG1 2.88Å; H546-T550 WeakPolarHBondContact O-CA 3.49Å; H546-T550 WeakPolarHBondContact O-CB 3.39Å; H546-T550 PolarHBondContact O-N 3.32Å; H546-T550 PolarHBondContact O-OG1 2.98Å; H546-H551 AromaticContact CD2-NE2 3.43Å; H546-H551 PolarHBondContact CD2-NE2 2.98Å; H546-H551 AromaticContact CE1-NE2 2.81Å; H546-H551 PolarHBondContact CE1-NE2 2.97Å; H546-H551 AromaticContact ND1-NE2 3.95Å; H546-H551 AromaticContact NE2-CD2 3.78Å; H546-H551 AromaticContact NE2-NE2 2.33Å; H546-H551 PolarHBondContact NE2-NE2 2.8Å |
| 547 | I | 79.6 | Confident | 73.3 | Confident | 42 Ų | 42 | 89 Ų | 89 | 22% | 0.215 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 173.9 | -66.4 | 168.6 | 0 | 0 | 0 | 109.7 | L543 K544 K549 T550 H551 L552 | L543-I547 HydrophobicContact CD1-CD1 3.76Å; L543-I547 HydrophobicContact CD1-CG1 3.9Å; L543-I547 HydrophobicContact CD2-CD1 4.43Å; L543-I547 HydrophobicContact CG-CD1 3.84Å; L543-I547 HydrophobicContact CG-CG1 4.38Å; L543-I547 WeakPolarHBondContact O-CG1 3.44Å; L543-I547 PolarHBondContact O-N 2.89Å; K544-I547 PolarHBondContact O-N 2.78Å; I547-K549 PolarHBondContact O-N 2.91Å; I547-T550 PolarHBondContact O-N 3.04Å; I547-H551 HydrophobicContact CG2-CB 4.45Å; I547-H551 WeakPolarHBondContact O-CA 3.33Å; I547-H551 WeakPolarHBondContact O-CB 3.26Å; I547-H551 PolarHBondContact O-N 3.14Å; I547-L552 HydrophobicContact CG2-CD1 4.08Å; I547-L552 HydrophobicContact CG2-CG 4.2Å; I547-L552 PolarHBondContact O-N 3.23Å |
| 548 | Y | 75.4 | Confident | 72.7 | Confident | 143 Ų | 143 | 90.8 Ų | 90.8 | 56% | 0.561 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59.6 | -47.7 | 176.4 | -171.1 | -99.7 | 0 | 0 | 0 | 113.2 | K544 H546 L552 | K544-Y548 VanDerWaalsContact O-CB 3.25Å; K544-Y548 WeakPolarHBondContact O-CB 3.32Å; K544-Y548 PolarHBondContact O-N 3.36Å; H546-Y548 VanDerWaalsContact C-N 3.31Å; H546-Y548 PolarHBondContact O-N 2.88Å; Y548-L552 HydrophobicContact CD2-CD1 4.19Å |
| 549 | K | 75.5 | Confident | 72.4 | Confident | 152 Ų | 152 | 88.4 Ų | 88.4 | 66% | 0.661 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -78 | -16.9 | -178.1 | -74.6 | 179.5 | 177.1 | -178.1 | 0 | 115.7 | L545 H546 I547 | L545-K549 HydrophobicContact CD2-CD 4.06Å; L545-K549 HydrophobicContact CG-CD 4.28Å; L545-K549 WeakPolarHBondContact O-CB 3.25Å; L545-K549 WeakPolarHBondContact O-CG 3.31Å; L545-K549 PolarHBondContact O-N 2.93Å; H546-K549 PolarHBondContact O-N 2.98Å; I547-K549 PolarHBondContact O-N 2.91Å |
| 550 | T | 73.9 | Confident | 71.9 | Confident | 35 Ų | 35 | 86.7 Ų | 86.7 | 22% | 0.215 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -131 | -14.7 | -164.3 | -22.1 | 0 | 0 | 0 | 0 | 114.2 | H546 I547 I568 | H546-T550 PolarHBondContact CE1-OG1 3.42Å; H546-T550 PolarHBondContact ND1-OG1 2.88Å; H546-T550 WeakPolarHBondContact O-CA 3.49Å; H546-T550 WeakPolarHBondContact O-CB 3.39Å; H546-T550 PolarHBondContact O-N 3.32Å; H546-T550 PolarHBondContact O-OG1 2.98Å; I547-T550 PolarHBondContact O-N 3.04Å; T550-I568 HydrophobicContact CG2-CD1 4.03Å; T550-I568 HydrophobicContact CG2-CG2 4.11Å |
| 551 | H | 80 | Confident | 71.5 | Confident | 31 Ų | 31 | 95.8 Ų | 95.8 | 14% | 0.144 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | -38.7 | -177.7 | -58.7 | -54.9 | 0 | 0 | 0 | 112.9 | C530 H532 C533 H546 I547 G553 | C530-H551 PolarHBondContact SG-CD2 3.23Å; C530-H551 PolarHBondContact SG-NE2 2.8Å; H532-H551 AromaticContact CD2-CD2 3.65Å; H532-H551 AromaticContact CD2-CG 3.61Å; H532-H551 AromaticContact CG-CG 3.84Å; C533-H551 WeakPolarHBondContact CB-CE1 3.41Å; C533-H551 PolarHBondContact SG-NE2 2.79Å; H546-H551 AromaticContact CD2-NE2 3.43Å; H546-H551 PolarHBondContact CD2-NE2 2.98Å; H546-H551 AromaticContact CE1-NE2 2.81Å; H546-H551 PolarHBondContact CE1-NE2 2.97Å; H546-H551 AromaticContact ND1-NE2 3.95Å; H546-H551 AromaticContact NE2-CD2 3.78Å; H546-H551 AromaticContact NE2-NE2 2.33Å; H546-H551 PolarHBondContact NE2-NE2 2.8Å; I547-H551 HydrophobicContact CG2-CB 4.45Å; I547-H551 WeakPolarHBondContact O-CA 3.33Å; I547-H551 WeakPolarHBondContact O-CB 3.26Å; I547-H551 PolarHBondContact O-N 3.14Å; H551-G553 PolarHBondContact O-N 3.36Å |
| 552 | L | 59.8 | Low | 71.1 | Confident | 127 Ų | 127 | 97 Ų | 97 | 67% | 0.665 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 12.4 | -179.1 | -76.2 | 168.6 | 0 | 0 | 0 | 115.9 | I547 Y548 | I547-L552 HydrophobicContact CG2-CD1 4.08Å; I547-L552 HydrophobicContact CG2-CG 4.2Å; I547-L552 PolarHBondContact O-N 3.23Å; Y548-L552 HydrophobicContact CD2-CD1 4.19Å |
| 553 | G | 45.8 | Very low | 70.5 | Confident | 48 Ų | 48 | 91.1 Ų | 91.1 | 50% | 0.495 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 89.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H551 C555 | H551-G553 PolarHBondContact O-N 3.36Å; G553-C555 PolarHBondContact O-N 2.98Å; G553-C555 VanDerWaalsContact O-N 3.09Å; G553-C555 PolarHBondContact O-SG 3.25Å |
| 554 | R | 42 | Very low | 69.6 | Low | 208 Ų | 208 | 96.1 Ų | 96.1 | 79% | 0.785 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 30 | 63.5 | 170.4 | -66.5 | -177.5 | 179.3 | 159.4 | -1.3 | 113.8 | ||
| 555 | C | 43.1 | Very low | 69.3 | Low | 50 Ų | 50 | 97.4 Ų | 97.4 | 34% | 0.338 | 47% | 0.47 | S | S | . | . | trans | -101.6 | 95.4 | 176.6 | -75.6 | 0 | 0 | 0 | 0 | 109.6 | G553 I557 | G553-C555 PolarHBondContact O-N 2.98Å; G553-C555 VanDerWaalsContact O-N 3.09Å; G553-C555 PolarHBondContact O-SG 3.25Å; C555-I557 PolarHBondContact O-N 3.45Å | ||
| 556 | T | 50.5 | Low | 69 | Low | 106 Ų | 106 | 100.6 Ų | 100.6 | 65% | 0.65 | 48% | 0.475 | S | S | * | . | trans | -55.3 | 111.4 | 157.8 | 41.6 | 0 | 0 | 0 | 0 | 107.7 | F558 | T556-F558 WeakPolarHBondContact O-CD2 3.37Å; T556-F558 WeakPolarHBondContact O-CE2 3.31Å; T556-F558 PolarHBondContact O-N 2.8Å; T556-F558 VanDerWaalsContact O-N 3.1Å | ||
| 557 | I | 67.4 | Low | 68.8 | Low | 69 Ų | 69 | 101.5 Ų | 101.5 | 35% | 0.354 | 48% | 0.479 | S | S | . | . | trans | -76.3 | 104.4 | -178.7 | -63.1 | -179.2 | 0 | 0 | 0 | 107.1 | C555 M559 R566 | C555-I557 PolarHBondContact O-N 3.45Å; I557-M559 HydrophobicContact CG2-CG 4.36Å; I557-M559 WeakPolarHBondContact O-CG 3.26Å; I557-M559 PolarHBondContact O-N 3.25Å; I557-R566 HydrophobicContact CG2-CB 3.44Å; I557-R566 VanDerWaalsContact CG2-CB 3.44Å; I557-R566 HydrophobicContact CG2-CG 3.65Å | ||
| 558 | F | 75.4 | Confident | 68.6 | Low | 72 Ų | 72 | 103 Ų | 103 | 32% | 0.316 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 98.3 | 177.6 | -66.6 | -86.9 | 0 | 0 | 0 | 109.1 | T556 F567 S570 L573 | T556-F558 WeakPolarHBondContact O-CD2 3.37Å; T556-F558 WeakPolarHBondContact O-CE2 3.31Å; T556-F558 PolarHBondContact O-N 2.8Å; T556-F558 VanDerWaalsContact O-N 3.1Å; F558-F567 HydrophobicContact CB-CB 4.24Å; F558-F567 PolarHBondContact N-O 2.91Å; F558-F567 WeakPolarHBondContact O-CB 3.19Å; F558-F567 WeakPolarHBondContact O-CD2 3.34Å; F558-F567 PolarHBondContact O-N 3.36Å; F558-S570 VanDerWaalsContact CD2-N 3.3Å; F558-L573 HydrophobicContact CB-CB 3.84Å; F558-L573 HydrophobicContact CB-CD2 3.86Å; F558-L573 HydrophobicContact CB-CG 4.43Å; F558-L573 HydrophobicContact CD1-CD2 4.4Å |
| 559 | M | 74.7 | Confident | 68.8 | Low | 106 Ų | 106 | 98.8 Ų | 98.8 | 52% | 0.522 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 145.9 | 175.6 | -55.3 | -149.7 | -70.5 | 0 | 0 | 110.2 | I557 R566 | I557-M559 HydrophobicContact CG2-CG 4.36Å; I557-M559 WeakPolarHBondContact O-CG 3.26Å; I557-M559 PolarHBondContact O-N 3.25Å; M559-R566 HydrophobicContact CG-CG 4.08Å; M559-R566 HydrophobicContact SD-CG 4.08Å |
| 560 | C | 73.8 | Confident | 69.1 | Low | 9 Ų | 9 | 95 Ų | 95 | 6% | 0.061 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 122.5 | 169.3 | -169 | 0 | 0 | 0 | 0 | 110.5 | K562 C563 R565 F567 L573 H576 H581 | C560-K562 PolarHBondContact O-N 3.12Å; C560-C563 WeakPolarHBondContact CB-O 3.39Å; C560-C563 PolarHBondContact O-N 2.81Å; C560-R565 PolarHBondContact N-O 2.91Å; C560-F567 HydrophobicContact CB-CE2 4.31Å; C560-L573 HydrophobicContact CB-CD1 3.68Å; C560-H576 WeakPolarHBondContact CB-NE2 3.31Å; C560-H576 PolarHBondContact SG-NE2 3.28Å; C560-H581 PolarHBondContact SG-CD2 2.85Å |
| 561 | R | 76 | Confident | 69.4 | Low | 261 Ų | 261 | 98.3 Ų | 98.3 | 99% | 0.985 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.1 | 174.5 | -66.4 | -171.4 | 179.9 | -177.9 | -0.9 | 113.9 | ||
| 562 | K | 76.3 | Confident | 69.6 | Low | 148 Ų | 148 | 97.8 Ų | 97.8 | 64% | 0.643 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | -3.7 | 179.2 | -59.8 | -152.4 | -165.3 | 177.9 | 0 | 115.5 | C560 H581 | C560-K562 PolarHBondContact O-N 3.12Å; K562-H581 HydrophobicContact CB-CB 4.28Å; K562-H581 VanDerWaalsContact CB-ND1 3.34Å; K562-H581 WeakPolarHBondContact CB-ND1 3.38Å; K562-H581 HydrophobicContact CD-CB 3.89Å; K562-H581 HydrophobicContact CG-CB 4.35Å; K562-H581 PolarHBondContact NZ-O 3.24Å; K562-H581 PolarHBondContact O-CE1 3.32Å |
| 563 | C | 75.7 | Confident | 70.9 | Confident | 34 Ų | 34 | 93.3 Ų | 93.3 | 23% | 0.23 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 156 | 171.2 | 82.8 | 0 | 0 | 0 | 0 | 111.5 | C560 R565 H576 H581 | C560-C563 WeakPolarHBondContact CB-O 3.39Å; C560-C563 PolarHBondContact O-N 2.81Å; C563-R565 PolarHBondContact O-N 3.22Å; C563-H576 PolarHBondContact SG-CE1 3.46Å; C563-H576 PolarHBondContact SG-NE2 2.87Å; C563-H581 PolarHBondContact SG-NE2 2.99Å; C563-H581 VanDerWaalsContact SG-NE2 3.42Å |
| 564 | P | 67.8 | Low | 72.5 | Confident | 128 Ų | 128 | 97.1 Ų | 97.1 | 83% | 0.831 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 15.1 | -172.5 | 27.8 | -36.6 | 0 | 0 | 0 | 115.7 | ||
| 565 | R | 74.3 | Confident | 74.1 | Confident | 163 Ų | 163 | 94.8 Ų | 94.8 | 62% | 0.615 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 132.8 | 179.1 | -70.4 | -170.1 | 172.1 | -139.6 | -2.7 | 112.4 | C560 C563 F567 | C560-R565 PolarHBondContact N-O 2.91Å; C563-R565 PolarHBondContact O-N 3.22Å; R565-F567 HydrophobicContact CB-CE2 3.52Å; R565-F567 HydrophobicContact CB-CZ 3.56Å; R565-F567 VanDerWaalsContact O-CE2 3.31Å; R565-F567 WeakPolarHBondContact O-CE2 3.09Å |
| 566 | R | 74.4 | Confident | 76.1 | Confident | 162 Ų | 162 | 93.1 Ų | 93.1 | 61% | 0.611 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.6 | -178.3 | -73.3 | -179.6 | 179.2 | -155.2 | 1.7 | 110.7 | I557 M559 | I557-R566 HydrophobicContact CG2-CB 3.44Å; I557-R566 VanDerWaalsContact CG2-CB 3.44Å; I557-R566 HydrophobicContact CG2-CG 3.65Å; M559-R566 HydrophobicContact CG-CG 4.08Å; M559-R566 HydrophobicContact SD-CG 4.08Å |
| 567 | F | 83.7 | Confident | 77.5 | Confident | 37 Ų | 37 | 90 Ų | 90 | 16% | 0.162 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.5 | -175.9 | -60.4 | -84.8 | 0 | 0 | 0 | 112.6 | F558 C560 R565 S569 L573 H576 | F558-F567 HydrophobicContact CB-CB 4.24Å; F558-F567 PolarHBondContact N-O 2.91Å; F558-F567 WeakPolarHBondContact O-CB 3.19Å; F558-F567 WeakPolarHBondContact O-CD2 3.34Å; F558-F567 PolarHBondContact O-N 3.36Å; C560-F567 HydrophobicContact CB-CE2 4.31Å; R565-F567 HydrophobicContact CB-CE2 3.52Å; R565-F567 HydrophobicContact CB-CZ 3.56Å; R565-F567 VanDerWaalsContact O-CE2 3.31Å; R565-F567 WeakPolarHBondContact O-CE2 3.09Å; F567-S569 PolarHBondContact O-N 2.84Å; F567-L573 HydrophobicContact CB-CB 4.08Å; F567-L573 HydrophobicContact CD2-CB 4.06Å; F567-L573 HydrophobicContact CD2-CD1 3.86Å; F567-L573 HydrophobicContact CE2-CD1 4.2Å; F567-L573 HydrophobicContact CG-CB 4.18Å; F567-H576 HydrophobicContact CD1-CB 4.33Å; F567-H576 HydrophobicContact CE1-CB 3.53Å; F567-H576 AromaticContact CE1-CG 3.88Å; F567-H576 HydrophobicContact CE2-CB 3.89Å; F567-H576 AromaticContact CE2-CD2 3.15Å; F567-H576 WeakPolarHBondContact CE2-CD2 3.36Å; F567-H576 AromaticContact CE2-CG 3.57Å; F567-H576 AromaticContact CE2-NE2 3.83Å; F567-H576 HydrophobicContact CZ-CB 3.28Å; F567-H576 AromaticContact CZ-CD2 3.23Å; F567-H576 WeakPolarHBondContact CZ-CD2 3.4Å; F567-H576 AromaticContact CZ-CG 3.1Å; F567-H576 AromaticContact CZ-ND1 3.76Å; F567-H576 AromaticContact CZ-NE2 3.89Å |
| 568 | I | 75.5 | Confident | 78 | Confident | 73 Ų | 73 | 89.2 Ų | 89.2 | 37% | 0.374 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -77.8 | -3 | -177.4 | -55.1 | 163.5 | 0 | 0 | 0 | 111.7 | T550 | T550-I568 HydrophobicContact CG2-CD1 4.03Å; T550-I568 HydrophobicContact CG2-CG2 4.11Å |
| 569 | S | 78.3 | Confident | 77.6 | Confident | 56 Ų | 56 | 90.4 Ų | 90.4 | 39% | 0.392 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -157.5 | 151.2 | 175.8 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | F567 M571 G572 L573 | F567-S569 PolarHBondContact O-N 2.84Å; S569-M571 PolarHBondContact O-N 3.06Å; S569-G572 WeakPolarHBondContact O-CA 3.46Å; S569-G572 PolarHBondContact O-N 3.28Å; S569-G572 PolarHBondContact OG-N 3.37Å; S569-G572 VanDerWaalsContact OG-N 3.16Å; S569-L573 PolarHBondContact O-N 3.27Å |
| 570 | S | 81.9 | Confident | 77.4 | Confident | 71 Ų | 71 | 94.8 Ų | 94.8 | 50% | 0.497 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.5 | -34 | 174.2 | 71 | 0 | 0 | 0 | 0 | 111.9 | F558 G572 L573 K574 | F558-S570 VanDerWaalsContact CD2-N 3.3Å; S570-G572 VanDerWaalsContact C-N 3.33Å; S570-G572 PolarHBondContact O-N 3.3Å; S570-L573 PolarHBondContact O-N 3.01Å; S570-K574 WeakPolarHBondContact O-CB 3.28Å; S570-K574 PolarHBondContact O-N 3.11Å |
| 571 | M | 80.4 | Confident | 77.4 | Confident | 106 Ų | 106 | 96.2 Ų | 96.2 | 52% | 0.522 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.7 | -33.7 | 172.7 | -174.6 | 60.9 | 63.5 | 0 | 0 | 112.5 | S569 R575 | S569-M571 PolarHBondContact O-N 3.06Å; M571-R575 WeakPolarHBondContact O-CB 3.3Å; M571-R575 WeakPolarHBondContact O-CG 3.38Å; M571-R575 PolarHBondContact O-N 3.49Å |
| 572 | G | 85.3 | Confident | 76.4 | Confident | 20 Ų | 20 | 91.6 Ų | 91.6 | 21% | 0.206 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.2 | -48.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S569 S570 R575 H576 | S569-G572 WeakPolarHBondContact O-CA 3.46Å; S569-G572 PolarHBondContact O-N 3.28Å; S569-G572 PolarHBondContact OG-N 3.37Å; S569-G572 VanDerWaalsContact OG-N 3.16Å; S570-G572 VanDerWaalsContact C-N 3.33Å; S570-G572 PolarHBondContact O-N 3.3Å; G572-R575 PolarHBondContact O-N 2.78Å; G572-H576 WeakPolarHBondContact O-CB 3.36Å; G572-H576 PolarHBondContact O-N 3.03Å |
| 573 | L | 85.5 | Confident | 74.7 | Confident | 33 Ų | 33 | 90.8 Ų | 90.8 | 17% | 0.173 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60 | -50 | 173.7 | 173.1 | 61.4 | 0 | 0 | 0 | 111.2 | F558 C560 F567 S569 S570 R575 H576 V577 | F558-L573 HydrophobicContact CB-CB 3.84Å; F558-L573 HydrophobicContact CB-CD2 3.86Å; F558-L573 HydrophobicContact CB-CG 4.43Å; F558-L573 HydrophobicContact CD1-CD2 4.4Å; C560-L573 HydrophobicContact CB-CD1 3.68Å; F567-L573 HydrophobicContact CB-CB 4.08Å; F567-L573 HydrophobicContact CD2-CB 4.06Å; F567-L573 HydrophobicContact CD2-CD1 3.86Å; F567-L573 HydrophobicContact CE2-CD1 4.2Å; F567-L573 HydrophobicContact CG-CB 4.18Å; S569-L573 PolarHBondContact O-N 3.27Å; S570-L573 PolarHBondContact O-N 3.01Å; L573-R575 VanDerWaalsContact C-N 3.33Å; L573-R575 PolarHBondContact O-N 2.96Å; L573-H576 CarbonylContact O-C 3.41Å; L573-H576 WeakPolarHBondContact O-CA 3.17Å; L573-H576 WeakPolarHBondContact O-CB 3.45Å; L573-H576 PolarHBondContact O-N 3.4Å; L573-V577 HydrophobicContact CD1-CG2 3.69Å; L573-V577 HydrophobicContact CG-CG2 4.17Å; L573-V577 WeakPolarHBondContact O-CG2 3.44Å; L573-V577 PolarHBondContact O-N 3.13Å |
| 574 | K | 81 | Confident | 73.2 | Confident | 127 Ų | 127 | 93.8 Ų | 93.8 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.4 | -41.3 | -179.9 | -168.9 | 167.9 | -174.5 | 168.7 | 0 | 111.5 | S570 N578 | S570-K574 WeakPolarHBondContact O-CB 3.28Å; S570-K574 PolarHBondContact O-N 3.11Å; K574-N578 WeakPolarHBondContact O-CB 3.42Å; K574-N578 PolarHBondContact O-N 3.37Å; K574-N578 PolarHBondContact O-OD1 3.01Å |
| 575 | R | 75.7 | Confident | 71.9 | Confident | 160 Ų | 160 | 97 Ų | 97 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 171.3 | -79.3 | -178.3 | -168.1 | 160.5 | 6.2 | 112.9 | M571 G572 L573 L579 | M571-R575 WeakPolarHBondContact O-CB 3.3Å; M571-R575 WeakPolarHBondContact O-CG 3.38Å; M571-R575 PolarHBondContact O-N 3.49Å; G572-R575 PolarHBondContact O-N 2.78Å; L573-R575 VanDerWaalsContact C-N 3.33Å; L573-R575 PolarHBondContact O-N 2.96Å; R575-L579 VanDerWaalsContact O-CB 3.23Å; R575-L579 WeakPolarHBondContact O-CB 3.37Å; R575-L579 WeakPolarHBondContact O-CD1 3.38Å; R575-L579 VanDerWaalsContact O-CG 3.29Å; R575-L579 WeakPolarHBondContact O-CG 3.06Å; R575-L579 PolarHBondContact O-N 3.38Å |
| 576 | H | 85.2 | Confident | 70.5 | Confident | 14 Ų | 14 | 93.1 Ų | 93.1 | 7% | 0.065 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -68.5 | -44.8 | 179.1 | 159.7 | 64.8 | 0 | 0 | 0 | 112.2 | C560 C563 F567 G572 L573 N578 L579 R580 H581 | C560-H576 WeakPolarHBondContact CB-NE2 3.31Å; C560-H576 PolarHBondContact SG-NE2 3.28Å; C563-H576 PolarHBondContact SG-CE1 3.46Å; C563-H576 PolarHBondContact SG-NE2 2.87Å; F567-H576 HydrophobicContact CD1-CB 4.33Å; F567-H576 HydrophobicContact CE1-CB 3.53Å; F567-H576 AromaticContact CE1-CG 3.88Å; F567-H576 HydrophobicContact CE2-CB 3.89Å; F567-H576 AromaticContact CE2-CD2 3.15Å; F567-H576 WeakPolarHBondContact CE2-CD2 3.36Å; F567-H576 AromaticContact CE2-CG 3.57Å; F567-H576 AromaticContact CE2-NE2 3.83Å; F567-H576 HydrophobicContact CZ-CB 3.28Å; F567-H576 AromaticContact CZ-CD2 3.23Å; F567-H576 WeakPolarHBondContact CZ-CD2 3.4Å; F567-H576 AromaticContact CZ-CG 3.1Å; F567-H576 AromaticContact CZ-ND1 3.76Å; F567-H576 AromaticContact CZ-NE2 3.89Å; G572-H576 WeakPolarHBondContact O-CB 3.36Å; G572-H576 PolarHBondContact O-N 3.03Å; L573-H576 CarbonylContact O-C 3.41Å; L573-H576 WeakPolarHBondContact O-CA 3.17Å; L573-H576 WeakPolarHBondContact O-CB 3.45Å; L573-H576 PolarHBondContact O-N 3.4Å; H576-N578 VanDerWaalsContact C-N 3.33Å; H576-N578 PolarHBondContact O-N 3.17Å; H576-L579 CarbonylContact O-C 3.5Å; H576-L579 WeakPolarHBondContact O-CA 3.38Å; H576-L579 WeakPolarHBondContact O-CB 3.1Å; H576-L579 PolarHBondContact O-N 3.3Å; H576-R580 WeakPolarHBondContact O-CB 3.34Å; H576-R580 PolarHBondContact O-N 2.84Å; H576-H581 AromaticContact CE1-CD2 3.66Å; H576-H581 AromaticContact CE1-NE2 3.39Å; H576-H581 PolarHBondContact CE1-NE2 3.44Å; H576-H581 AromaticContact NE2-CD2 3.39Å; H576-H581 PolarHBondContact NE2-CD2 2.73Å; H576-H581 AromaticContact NE2-NE2 3.28Å; H576-H581 PolarHBondContact NE2-NE2 3.07Å |
| 577 | V | 80.1 | Confident | 69.9 | Low | 40 Ų | 40 | 92.3 Ų | 92.3 | 24% | 0.242 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -57.9 | -48.8 | 173.6 | 169.5 | 0 | 0 | 0 | 0 | 109.5 | L573 L579 R580 H581 R582 | L573-V577 HydrophobicContact CD1-CG2 3.69Å; L573-V577 HydrophobicContact CG-CG2 4.17Å; L573-V577 WeakPolarHBondContact O-CG2 3.44Å; L573-V577 PolarHBondContact O-N 3.13Å; V577-L579 PolarHBondContact O-N 3.49Å; V577-L579 VanDerWaalsContact O-N 3.15Å; V577-R580 PolarHBondContact O-N 3.28Å; V577-H581 HydrophobicContact CG1-CB 4.27Å; V577-H581 CarbonylContact O-C 3.59Å; V577-H581 WeakPolarHBondContact O-CA 3.44Å; V577-H581 PolarHBondContact O-N 3.22Å; V577-R582 HydrophobicContact CG1-CB 4.18Å; V577-R582 PolarHBondContact O-N 3.01Å |
| 578 | N | 77 | Confident | 69.6 | Low | 54 Ų | 54 | 93 Ų | 93 | 29% | 0.289 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -18 | 173.7 | -74 | 3.2 | 0 | 0 | 0 | 114.9 | K574 H576 I584 | K574-N578 WeakPolarHBondContact O-CB 3.42Å; K574-N578 PolarHBondContact O-N 3.37Å; K574-N578 PolarHBondContact O-OD1 3.01Å; H576-N578 VanDerWaalsContact C-N 3.33Å; H576-N578 PolarHBondContact O-N 3.17Å; N578-I584 HydrophobicContact CB-CD1 3.74Å |
| 579 | L | 67.8 | Low | 69.7 | Low | 97 Ų | 97 | 92.4 Ų | 92.4 | 51% | 0.508 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -98 | -22.4 | -179.7 | -92.3 | 169 | 0 | 0 | 0 | 114.3 | R575 H576 V577 L598 | R575-L579 VanDerWaalsContact O-CB 3.23Å; R575-L579 WeakPolarHBondContact O-CB 3.37Å; R575-L579 WeakPolarHBondContact O-CD1 3.38Å; R575-L579 VanDerWaalsContact O-CG 3.29Å; R575-L579 WeakPolarHBondContact O-CG 3.06Å; R575-L579 PolarHBondContact O-N 3.38Å; H576-L579 CarbonylContact O-C 3.5Å; H576-L579 WeakPolarHBondContact O-CA 3.38Å; H576-L579 WeakPolarHBondContact O-CB 3.1Å; H576-L579 PolarHBondContact O-N 3.3Å; V577-L579 PolarHBondContact O-N 3.49Å; V577-L579 VanDerWaalsContact O-N 3.15Å; L579-L598 HydrophobicContact CD1-CD1 4.48Å; L579-L598 HydrophobicContact CD1-CD2 4.09Å; L579-L598 HydrophobicContact CD2-CD1 4Å; L579-L598 HydrophobicContact CD2-CD2 3.47Å; L579-L598 VanDerWaalsContact CD2-CD2 3.47Å; L579-L598 HydrophobicContact CD2-CG 3.62Å; L579-L598 HydrophobicContact CG-CD2 3.6Å; L579-L598 HydrophobicContact CG-CG 4.28Å |
| 580 | R | 70.5 | Confident | 69.6 | Low | 197 Ų | 197 | 89.8 Ų | 89.8 | 74% | 0.743 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -136.4 | -17.2 | -166.5 | -70.4 | -64.2 | -174 | 144.3 | -5.5 | 114.9 | H576 V577 | H576-R580 WeakPolarHBondContact O-CB 3.34Å; H576-R580 PolarHBondContact O-N 2.84Å; V577-R580 PolarHBondContact O-N 3.28Å |
| 581 | H | 71.9 | Confident | 69.1 | Low | 40 Ų | 40 | 91.5 Ų | 91.5 | 19% | 0.185 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | -17.8 | -163.6 | -65.4 | -51.7 | 0 | 0 | 0 | 115.5 | C560 K562 C563 H576 V577 | C560-H581 PolarHBondContact SG-CD2 2.85Å; K562-H581 HydrophobicContact CB-CB 4.28Å; K562-H581 VanDerWaalsContact CB-ND1 3.34Å; K562-H581 WeakPolarHBondContact CB-ND1 3.38Å; K562-H581 HydrophobicContact CD-CB 3.89Å; K562-H581 HydrophobicContact CG-CB 4.35Å; K562-H581 PolarHBondContact NZ-O 3.24Å; K562-H581 PolarHBondContact O-CE1 3.32Å; C563-H581 PolarHBondContact SG-NE2 2.99Å; C563-H581 VanDerWaalsContact SG-NE2 3.42Å; H576-H581 AromaticContact CE1-CD2 3.66Å; H576-H581 AromaticContact CE1-NE2 3.39Å; H576-H581 PolarHBondContact CE1-NE2 3.44Å; H576-H581 AromaticContact NE2-CD2 3.39Å; H576-H581 PolarHBondContact NE2-CD2 2.73Å; H576-H581 AromaticContact NE2-NE2 3.28Å; H576-H581 PolarHBondContact NE2-NE2 3.07Å; V577-H581 HydrophobicContact CG1-CB 4.27Å; V577-H581 CarbonylContact O-C 3.59Å; V577-H581 WeakPolarHBondContact O-CA 3.44Å; V577-H581 PolarHBondContact O-N 3.22Å |
| 582 | R | 56.3 | Low | 68.5 | Low | 163 Ų | 163 | 91.6 Ų | 91.6 | 62% | 0.615 | 46% | 0.458 | S | S | * | . | trans | -106.3 | 114.1 | 172.5 | -141.9 | 177 | -159 | -162.6 | 3.7 | 107.7 | V577 I584 | V577-R582 HydrophobicContact CG1-CB 4.18Å; V577-R582 PolarHBondContact O-N 3.01Å; R582-I584 HydrophobicContact CB-CG1 4.43Å; R582-I584 PolarHBondContact O-N 3.49Å | ||
| 583 | C | 39.9 | Very low | 68.3 | Low | 131 Ų | 131 | 93.2 Ų | 93.2 | 89% | 0.885 | 47% | 0.465 | S | S | * | . | trans | -63.7 | 87.9 | 158.2 | -59.3 | 0 | 0 | 0 | 0 | 106.7 | K585 | C583-K585 PolarHBondContact O-N 2.79Š| ||
| 584 | I | 44.5 | Very low | 67.7 | Low | 98 Ų | 98 | 99 Ų | 99 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | trans | -65.3 | 116.8 | 168.1 | -66.5 | 179.3 | 0 | 0 | 0 | 105.2 | N578 R582 S586 | N578-I584 HydrophobicContact CB-CD1 3.74Å; R582-I584 HydrophobicContact CB-CG1 4.43Å; R582-I584 PolarHBondContact O-N 3.49Å; I584-S586 PolarHBondContact O-N 3.38Å | ||
| 585 | K | 40.9 | Very low | 67.4 | Low | 194 Ų | 194 | 96 Ų | 96 | 84% | 0.843 | 48% | 0.483 | S | S | * | . | trans | -42.8 | 134.3 | 175.1 | -66.3 | -173.5 | 175.4 | -172.2 | 0 | 109.2 | C583 | C583-K585 PolarHBondContact O-N 2.79Š| ||
| 586 | S | 45.5 | Very low | 67.7 | Low | 83 Ų | 83 | 94.7 Ų | 94.7 | 58% | 0.58 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -36.5 | 141.4 | -175.1 | 38 | 0 | 0 | 0 | 0 | 114.5 | I584 | I584-S586 PolarHBondContact O-N 3.38Š|
| 587 | N | 60.3 | Low | 67.5 | Low | 145 Ų | 145 | 96.2 Ų | 96.2 | 78% | 0.775 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 166.5 | -9 | 144.2 | -85.2 | -15.3 | 0 | 0 | 0 | 114.4 | I589 | N587-I589 VanDerWaalsContact C-N 3.32Š|
| 588 | N | 78.3 | Confident | 67.3 | Low | 51 Ų | 51 | 99.6 Ų | 99.6 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -97.5 | 33.5 | 169.2 | -68.1 | -59.3 | 0 | 0 | 0 | 112.5 | F597 L600 | N588-F597 HydrophobicContact CB-CB 4.36Å; N588-F597 WeakPolarHBondContact CB-O 3.3Å; N588-F597 WeakPolarHBondContact O-CB 3.02Å; N588-F597 PolarHBondContact O-N 2.8Å; N588-L600 PolarHBondContact OD1-N 3.21Å |
| 589 | I | 78.1 | Confident | 67.4 | Low | 61 Ų | 61 | 100.7 Ų | 100.7 | 31% | 0.313 | 52% | 0.516 | S | S | . | . | B | Isolated β-bridge | trans | -84.5 | 139.4 | 174.1 | -64.9 | 167.9 | 0 | 0 | 0 | 107.9 | N587 P591 Q594 L596 | N587-I589 VanDerWaalsContact C-N 3.32Å; I589-P591 WeakPolarHBondContact O-CD 3.47Å; I589-Q594 HydrophobicContact CG2-CB 4.32Å; I589-L596 HydrophobicContact CD1-CD2 4.12Å; I589-L596 HydrophobicContact CG1-CD2 3.47Å; I589-L596 VanDerWaalsContact CG1-CD2 3.47Å; I589-L596 HydrophobicContact CG1-CG 4.13Å |
| 590 | C | 74.7 | Confident | 68 | Low | 0 Ų | 0 | 101.8 Ų | 101.8 | 0% | 0 | 52% | 0.522 | C | S | . | . | trans | -74.8 | 113.3 | 168.2 | 176 | 0 | 0 | 0 | 0 | 110.5 | I592 C593 Q594 T595 F597 L603 H606 M607 H610 | C590-I592 PolarHBondContact O-N 3.49Å; C590-I592 PolarHBondContact SG-N 3.27Å; C590-I592 VanDerWaalsContact SG-N 3.39Å; C590-C593 PolarHBondContact O-N 2.79Å; C590-Q594 WeakPolarHBondContact O-CA 3.25Å; C590-Q594 PolarHBondContact O-N 2.9Å; C590-T595 PolarHBondContact N-O 2.82Å; C590-F597 HydrophobicContact CB-CD2 4.47Å; C590-F597 HydrophobicContact CB-CE2 3.89Å; C590-L603 HydrophobicContact CB-CD1 3.78Å; C590-H606 WeakPolarHBondContact CB-NE2 3.23Å; C590-H606 PolarHBondContact SG-NE2 3.47Å; C590-M607 HydrophobicContact CB-CE 4.17Å; C590-M607 WeakPolarHBondContact SG-CE 3.46Å; C590-H610 VanDerWaalsContact SG-CD2 3.55Å; C590-H610 PolarHBondContact SG-NE2 3.33Å; C590-H610 VanDerWaalsContact SG-NE2 3.38Å | ||
| 591 | P | 71.6 | Confident | 68.4 | Low | 108 Ų | 108 | 96.4 Ų | 96.4 | 70% | 0.701 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -16.9 | 175 | 17.3 | -33 | 0 | 0 | 0 | 115.5 | I589 M607 | I589-P591 WeakPolarHBondContact O-CD 3.47Å; P591-M607 HydrophobicContact CG-CE 3.62Å |
| 592 | I | 68.7 | Low | 68.9 | Low | 108 Ų | 108 | 95.5 Ų | 95.5 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -30.4 | -174.8 | -52.6 | 173.7 | 0 | 0 | 0 | 112.9 | C590 M607 H610 | C590-I592 PolarHBondContact O-N 3.49Å; C590-I592 PolarHBondContact SG-N 3.27Å; C590-I592 VanDerWaalsContact SG-N 3.39Å; I592-M607 HydrophobicContact CD1-CE 4.34Å; I592-M607 HydrophobicContact CD1-SD 3.8Å; I592-M607 HydrophobicContact CG1-CE 4.36Å; I592-M607 HydrophobicContact CG1-SD 4.43Å; I592-H610 HydrophobicContact CD1-CB 3.65Å; I592-H610 VanDerWaalsContact CG2-CE1 3.48Å; I592-H610 WeakPolarHBondContact CG2-CE1 3.35Å; I592-H610 VanDerWaalsContact CG2-ND1 3.35Å; I592-H610 WeakPolarHBondContact CG2-ND1 3.48Å |
| 593 | C | 80.9 | Confident | 70.2 | Confident | 54 Ų | 54 | 88.6 Ų | 88.6 | 37% | 0.365 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | 11 | 177.9 | 68.8 | 0 | 0 | 0 | 0 | 114.6 | C590 T595 H606 H610 | C590-C593 PolarHBondContact O-N 2.79Å; C593-T595 PolarHBondContact O-N 3.39Å; C593-T595 PolarHBondContact SG-OG1 3.32Å; C593-H606 PolarHBondContact SG-CE1 2.77Å; C593-H606 PolarHBondContact SG-NE2 2.94Å; C593-H610 PolarHBondContact SG-NE2 3.36Å |
| 594 | Q | 72.9 | Confident | 72.1 | Confident | 155 Ų | 155 | 89.2 Ų | 89.2 | 72% | 0.724 | 48% | 0.477 | S | S | * | . | trans | 56.5 | 9.1 | 177.8 | -58.7 | -180 | -2.1 | 0 | 0 | 116.4 | I589 C590 L596 | I589-Q594 HydrophobicContact CG2-CB 4.32Å; C590-Q594 WeakPolarHBondContact O-CA 3.25Å; C590-Q594 PolarHBondContact O-N 2.9Å; Q594-L596 PolarHBondContact O-N 3.2Å | ||
| 595 | T | 75.6 | Confident | 73.4 | Confident | 62 Ų | 62 | 92.6 Ų | 92.6 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | trans | -67.7 | 137 | 177.2 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | C590 C593 F597 H606 | C590-T595 PolarHBondContact N-O 2.82Å; C593-T595 PolarHBondContact O-N 3.39Å; C593-T595 PolarHBondContact SG-OG1 3.32Å; T595-F597 VanDerWaalsContact O-CD2 3.25Å; T595-F597 WeakPolarHBondContact O-CD2 3.47Å; T595-F597 WeakPolarHBondContact O-CE2 3.49Å; T595-F597 WeakPolarHBondContact OG1-CE2 3.49Å; T595-F597 VanDerWaalsContact OG1-CZ 3.23Å; T595-F597 WeakPolarHBondContact OG1-CZ 3.46Å; T595-H606 PolarHBondContact OG1-NE2 3.16Å | ||
| 596 | L | 80.5 | Confident | 75.4 | Confident | 134 Ų | 134 | 84.6 Ų | 84.6 | 70% | 0.702 | 45% | 0.449 | S | S | * | . | B | Isolated β-bridge | trans | -85.4 | 128.1 | -177.4 | -80.1 | 153.8 | 0 | 0 | 0 | 111.3 | I589 Q594 | I589-L596 HydrophobicContact CD1-CD2 4.12Å; I589-L596 HydrophobicContact CG1-CD2 3.47Å; I589-L596 VanDerWaalsContact CG1-CD2 3.47Å; I589-L596 HydrophobicContact CG1-CG 4.13Å; Q594-L596 PolarHBondContact O-N 3.2Å |
| 597 | F | 82.3 | Confident | 76.7 | Confident | 46 Ų | 46 | 83.1 Ų | 83.1 | 20% | 0.202 | 43% | 0.433 | C | S | . | . | trans | -111.7 | 140.5 | 179.1 | -68.3 | -81.8 | 0 | 0 | 0 | 113.8 | N588 C590 T595 N599 A602 L603 H606 | N588-F597 HydrophobicContact CB-CB 4.36Å; N588-F597 WeakPolarHBondContact CB-O 3.3Å; N588-F597 WeakPolarHBondContact O-CB 3.02Å; N588-F597 PolarHBondContact O-N 2.8Å; C590-F597 HydrophobicContact CB-CD2 4.47Å; C590-F597 HydrophobicContact CB-CE2 3.89Å; T595-F597 VanDerWaalsContact O-CD2 3.25Å; T595-F597 WeakPolarHBondContact O-CD2 3.47Å; T595-F597 WeakPolarHBondContact O-CE2 3.49Å; T595-F597 WeakPolarHBondContact OG1-CE2 3.49Å; T595-F597 VanDerWaalsContact OG1-CZ 3.23Å; T595-F597 WeakPolarHBondContact OG1-CZ 3.46Å; F597-N599 PolarHBondContact O-N 3.12Å; F597-N599 VanDerWaalsContact O-N 3.13Å; F597-A602 HydrophobicContact CB-CB 4.26Å; F597-A602 HydrophobicContact CD1-CB 3.94Å; F597-L603 HydrophobicContact CB-CB 3.88Å; F597-L603 HydrophobicContact CD2-CB 4Å; F597-L603 HydrophobicContact CD2-CD1 3.64Å; F597-L603 HydrophobicContact CD2-CG 4.41Å; F597-L603 HydrophobicContact CE2-CD1 4.07Å; F597-L603 HydrophobicContact CG-CB 3.95Å; F597-L603 HydrophobicContact CG-CD1 4.44Å; F597-H606 HydrophobicContact CD1-CB 4.31Å; F597-H606 HydrophobicContact CE1-CB 3.52Å; F597-H606 AromaticContact CE1-CG 3.73Å; F597-H606 HydrophobicContact CE2-CB 4.03Å; F597-H606 AromaticContact CE2-CD2 3.26Å; F597-H606 WeakPolarHBondContact CE2-CD2 3.35Å; F597-H606 AromaticContact CE2-CG 3.59Å; F597-H606 AromaticContact CE2-NE2 3.75Å; F597-H606 HydrophobicContact CZ-CB 3.39Å; F597-H606 AromaticContact CZ-CD2 3.26Å; F597-H606 WeakPolarHBondContact CZ-CD2 3.21Å; F597-H606 AromaticContact CZ-CE1 3.84Å; F597-H606 AromaticContact CZ-CG 3.05Å; F597-H606 AromaticContact CZ-ND1 3.47Å; F597-H606 WeakPolarHBondContact CZ-ND1 3.3Å; F597-H606 AromaticContact CZ-NE2 3.73Å | ||
| 598 | L | 75.3 | Confident | 77.2 | Confident | 111 Ų | 111 | 79.3 Ų | 79.3 | 58% | 0.581 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -50.1 | -33.6 | 172.9 | -90.7 | 168.3 | 0 | 0 | 0 | 115.3 | L579 | L579-L598 HydrophobicContact CD1-CD1 4.48Å; L579-L598 HydrophobicContact CD1-CD2 4.09Å; L579-L598 HydrophobicContact CD2-CD1 4Å; L579-L598 HydrophobicContact CD2-CD2 3.47Å; L579-L598 VanDerWaalsContact CD2-CD2 3.47Å; L579-L598 HydrophobicContact CD2-CG 3.62Å; L579-L598 HydrophobicContact CG-CD2 3.6Å; L579-L598 HydrophobicContact CG-CG 4.28Å |
| 599 | N | 79.6 | Confident | 76.9 | Confident | 77 Ų | 77 | 81.4 Ų | 81.4 | 41% | 0.412 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -166.3 | 164.8 | -179.9 | 55.6 | 45.9 | 0 | 0 | 0 | 111.1 | F597 S601 A602 L603 | F597-N599 PolarHBondContact O-N 3.12Å; F597-N599 VanDerWaalsContact O-N 3.13Å; N599-S601 PolarHBondContact O-N 3.17Å; N599-S601 VanDerWaalsContact O-N 3.11Å; N599-S601 PolarHBondContact OD1-N 2.8Å; N599-A602 PolarHBondContact O-N 3.27Å; N599-A602 WeakPolarHBondContact OD1-CB 3.23Å; N599-A602 PolarHBondContact OD1-N 3.41Å; N599-L603 PolarHBondContact O-N 3.19Å |
| 600 | L | 79.1 | Confident | 76.6 | Confident | 119 Ų | 119 | 81.4 Ų | 81.4 | 62% | 0.623 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -55.2 | -29.4 | 178.7 | -152.8 | 80.7 | 0 | 0 | 0 | 113.5 | N588 L603 K604 | N588-L600 PolarHBondContact OD1-N 3.21Å; L600-L603 HydrophobicContact CD1-CD2 4.25Å; L600-K604 WeakPolarHBondContact O-CB 3.36Å; L600-K604 PolarHBondContact O-N 2.85Å |
| 601 | S | 80.4 | Confident | 76.2 | Confident | 85 Ų | 85 | 83.7 Ų | 83.7 | 59% | 0.594 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -77.4 | -23 | 177.5 | -62 | 0 | 0 | 0 | 0 | 114 | N599 R605 | N599-S601 PolarHBondContact O-N 3.17Å; N599-S601 VanDerWaalsContact O-N 3.11Å; N599-S601 PolarHBondContact OD1-N 2.8Å; S601-R605 PolarHBondContact O-N 2.44Å |
| 602 | A | 80.7 | Confident | 75.1 | Confident | 20 Ų | 20 | 84 Ų | 84 | 17% | 0.165 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -82.4 | -44.2 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | F597 N599 K604 R605 H606 | F597-A602 HydrophobicContact CB-CB 4.26Å; F597-A602 HydrophobicContact CD1-CB 3.94Å; N599-A602 PolarHBondContact O-N 3.27Å; N599-A602 WeakPolarHBondContact OD1-CB 3.23Å; N599-A602 PolarHBondContact OD1-N 3.41Å; A602-K604 VanDerWaalsContact C-N 3.3Å; A602-K604 PolarHBondContact O-N 3.17Å; A602-R605 PolarHBondContact O-N 3.44Å; A602-H606 WeakPolarHBondContact O-CB 3.23Å; A602-H606 PolarHBondContact O-N 3.08Å |
| 603 | L | 85.1 | Confident | 74.3 | Confident | 18 Ų | 18 | 85.1 Ų | 85.1 | 9% | 0.094 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -54.4 | -46 | 170.6 | 174.6 | 58.6 | 0 | 0 | 0 | 111.2 | C590 F597 N599 L600 H606 M607 | C590-L603 HydrophobicContact CB-CD1 3.78Å; F597-L603 HydrophobicContact CB-CB 3.88Å; F597-L603 HydrophobicContact CD2-CB 4Å; F597-L603 HydrophobicContact CD2-CD1 3.64Å; F597-L603 HydrophobicContact CD2-CG 4.41Å; F597-L603 HydrophobicContact CE2-CD1 4.07Å; F597-L603 HydrophobicContact CG-CB 3.95Å; F597-L603 HydrophobicContact CG-CD1 4.44Å; N599-L603 PolarHBondContact O-N 3.19Å; L600-L603 HydrophobicContact CD1-CD2 4.25Å; L603-H606 CarbonylContact O-C 3.52Å; L603-H606 WeakPolarHBondContact O-CB 3.35Å; L603-H606 PolarHBondContact O-N 3.41Å; L603-H606 VanDerWaalsContact O-N 3.13Å; L603-M607 HydrophobicContact CD1-CE 4.06Å; L603-M607 HydrophobicContact CD1-CG 4.25Å; L603-M607 WeakPolarHBondContact O-CG 3.37Å; L603-M607 PolarHBondContact O-N 3.44Å |
| 604 | K | 78.4 | Confident | 73.8 | Confident | 144 Ų | 144 | 87.4 Ų | 87.4 | 63% | 0.626 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62 | -46.7 | 178.2 | -174.4 | 169.7 | -177.6 | 173.7 | 0 | 112.7 | L600 A602 H606 M607 D608 | L600-K604 WeakPolarHBondContact O-CB 3.36Å; L600-K604 PolarHBondContact O-N 2.85Å; A602-K604 VanDerWaalsContact C-N 3.3Å; A602-K604 PolarHBondContact O-N 3.17Å; K604-H606 PolarHBondContact O-N 3.13Å; K604-M607 WeakPolarHBondContact O-CB 3.21Å; K604-M607 PolarHBondContact O-N 2.79Å; K604-M607 VanDerWaalsContact O-N 3.09Å; K604-D608 VanDerWaalsContact O-CG 3.24Å; K604-D608 PolarHBondContact O-N 3.17Å |
| 605 | R | 73.3 | Confident | 74 | Confident | 170 Ų | 170 | 85.2 Ų | 85.2 | 64% | 0.642 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.5 | -25 | 174.5 | -111.1 | -174.9 | -56.3 | 135.7 | 10.9 | 113.8 | S601 A602 D608 | S601-R605 PolarHBondContact O-N 2.44Å; A602-R605 PolarHBondContact O-N 3.44Å; R605-D608 WeakPolarHBondContact CA-OD2 3.36Å |
| 606 | H | 81.2 | Confident | 74.2 | Confident | 26 Ų | 26 | 84.4 Ų | 84.4 | 12% | 0.12 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -85.4 | -34.1 | 174.4 | 165.3 | 80.3 | 0 | 0 | 0 | 111.9 | C590 C593 T595 F597 A602 L603 K604 D608 I609 H610 | C590-H606 WeakPolarHBondContact CB-NE2 3.23Å; C590-H606 PolarHBondContact SG-NE2 3.47Å; C593-H606 PolarHBondContact SG-CE1 2.77Å; C593-H606 PolarHBondContact SG-NE2 2.94Å; T595-H606 PolarHBondContact OG1-NE2 3.16Å; F597-H606 HydrophobicContact CD1-CB 4.31Å; F597-H606 HydrophobicContact CE1-CB 3.52Å; F597-H606 AromaticContact CE1-CG 3.73Å; F597-H606 HydrophobicContact CE2-CB 4.03Å; F597-H606 AromaticContact CE2-CD2 3.26Å; F597-H606 WeakPolarHBondContact CE2-CD2 3.35Å; F597-H606 AromaticContact CE2-CG 3.59Å; F597-H606 AromaticContact CE2-NE2 3.75Å; F597-H606 HydrophobicContact CZ-CB 3.39Å; F597-H606 AromaticContact CZ-CD2 3.26Å; F597-H606 WeakPolarHBondContact CZ-CD2 3.21Å; F597-H606 AromaticContact CZ-CE1 3.84Å; F597-H606 AromaticContact CZ-CG 3.05Å; F597-H606 AromaticContact CZ-ND1 3.47Å; F597-H606 WeakPolarHBondContact CZ-ND1 3.3Å; F597-H606 AromaticContact CZ-NE2 3.73Å; A602-H606 WeakPolarHBondContact O-CB 3.23Å; A602-H606 PolarHBondContact O-N 3.08Å; L603-H606 CarbonylContact O-C 3.52Å; L603-H606 WeakPolarHBondContact O-CB 3.35Å; L603-H606 PolarHBondContact O-N 3.41Å; L603-H606 VanDerWaalsContact O-N 3.13Å; K604-H606 PolarHBondContact O-N 3.13Å; H606-D608 PolarHBondContact O-N 3.42Å; H606-I609 WeakPolarHBondContact O-CA 3.31Å; H606-I609 WeakPolarHBondContact O-CB 3.24Å; H606-I609 PolarHBondContact O-N 2.99Å; H606-H610 AromaticContact CD2-CD2 3.96Å; H606-H610 AromaticContact CE1-CD2 3.9Å; H606-H610 AromaticContact CE1-NE2 3.43Å; H606-H610 PolarHBondContact CE1-NE2 3.45Å; H606-H610 AromaticContact NE2-CD2 3.44Å; H606-H610 PolarHBondContact NE2-CD2 2.58Å; H606-H610 AromaticContact NE2-NE2 3.09Å; H606-H610 PolarHBondContact NE2-NE2 3.49Å; H606-H610 PolarHBondContact O-N 3.15Å |
| 607 | M | 73.7 | Confident | 74.3 | Confident | 51 Ų | 51 | 81.3 Ų | 81.3 | 25% | 0.251 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61 | -32.3 | 167.4 | -75.2 | -66.8 | 178.7 | 0 | 0 | 112 | C590 P591 I592 L603 K604 I609 H610 S611 | C590-M607 HydrophobicContact CB-CE 4.17Å; C590-M607 WeakPolarHBondContact SG-CE 3.46Å; P591-M607 HydrophobicContact CG-CE 3.62Å; I592-M607 HydrophobicContact CD1-CE 4.34Å; I592-M607 HydrophobicContact CD1-SD 3.8Å; I592-M607 HydrophobicContact CG1-CE 4.36Å; I592-M607 HydrophobicContact CG1-SD 4.43Å; L603-M607 HydrophobicContact CD1-CE 4.06Å; L603-M607 HydrophobicContact CD1-CG 4.25Å; L603-M607 WeakPolarHBondContact O-CG 3.37Å; L603-M607 PolarHBondContact O-N 3.44Å; K604-M607 WeakPolarHBondContact O-CB 3.21Å; K604-M607 PolarHBondContact O-N 2.79Å; K604-M607 VanDerWaalsContact O-N 3.09Å; M607-I609 PolarHBondContact O-N 3.43Å; M607-I609 VanDerWaalsContact O-N 3.15Å; M607-H610 PolarHBondContact O-N 2.87Å; M607-S611 PolarHBondContact O-N 2.94Å |
| 608 | D | 71.1 | Confident | 74.1 | Confident | 65 Ų | 65 | 79.1 Ų | 79.1 | 35% | 0.348 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.6 | -12.2 | 169.4 | -57.9 | -36.6 | 0 | 0 | 0 | 113.2 | K604 R605 H606 S611 | K604-D608 VanDerWaalsContact O-CG 3.24Å; K604-D608 PolarHBondContact O-N 3.17Å; R605-D608 WeakPolarHBondContact CA-OD2 3.36Å; H606-D608 PolarHBondContact O-N 3.42Å; D608-S611 PolarHBondContact O-OG 2.97Å |
| 609 | I | 72.3 | Confident | 74.5 | Confident | 95 Ų | 95 | 82.1 Ų | 82.1 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -86 | -34 | 170.8 | -52.3 | 175 | 0 | 0 | 0 | 110.3 | H606 M607 R614 | H606-I609 WeakPolarHBondContact O-CA 3.31Å; H606-I609 WeakPolarHBondContact O-CB 3.24Å; H606-I609 PolarHBondContact O-N 2.99Å; M607-I609 PolarHBondContact O-N 3.43Å; M607-I609 VanDerWaalsContact O-N 3.15Å; I609-R614 VanDerWaalsContact CG2-NH2 3.32Å; I609-R614 PolarHBondContact O-NH2 2.83Å |
| 610 | H | 71.5 | Confident | 74.6 | Confident | 61 Ų | 61 | 82 Ų | 82 | 28% | 0.282 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -80.3 | -24.6 | 177.9 | -73.9 | -65.7 | 0 | 0 | 0 | 114.1 | C590 I592 C593 H606 M607 S612 | C590-H610 VanDerWaalsContact SG-CD2 3.55Å; C590-H610 PolarHBondContact SG-NE2 3.33Å; C590-H610 VanDerWaalsContact SG-NE2 3.38Å; I592-H610 HydrophobicContact CD1-CB 3.65Å; I592-H610 VanDerWaalsContact CG2-CE1 3.48Å; I592-H610 WeakPolarHBondContact CG2-CE1 3.35Å; I592-H610 VanDerWaalsContact CG2-ND1 3.35Å; I592-H610 WeakPolarHBondContact CG2-ND1 3.48Å; C593-H610 PolarHBondContact SG-NE2 3.36Å; H606-H610 AromaticContact CD2-CD2 3.96Å; H606-H610 AromaticContact CE1-CD2 3.9Å; H606-H610 AromaticContact CE1-NE2 3.43Å; H606-H610 PolarHBondContact CE1-NE2 3.45Å; H606-H610 AromaticContact NE2-CD2 3.44Å; H606-H610 PolarHBondContact NE2-CD2 2.58Å; H606-H610 AromaticContact NE2-NE2 3.09Å; H606-H610 PolarHBondContact NE2-NE2 3.49Å; H606-H610 PolarHBondContact O-N 3.15Å; M607-H610 PolarHBondContact O-N 2.87Å; H610-S612 PolarHBondContact O-N 3.28Å |
| 611 | S | 65.7 | Low | 74.9 | Confident | 48 Ų | 48 | 78 Ų | 78 | 34% | 0.336 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -63.8 | 119.2 | 173 | 54.5 | 0 | 0 | 0 | 0 | 110 | M607 D608 E613 | M607-S611 PolarHBondContact O-N 2.94Å; D608-S611 PolarHBondContact O-OG 2.97Å; S611-E613 PolarHBondContact O-N 2.89Å; S611-E613 VanDerWaalsContact O-N 3.14Å |
| 612 | S | 47.8 | Very low | 74.7 | Confident | 116 Ų | 116 | 80.1 Ų | 80.1 | 81% | 0.811 | 40% | 0.396 | S | S | * | . | trans | -74.2 | -1.8 | -166.4 | 42 | 0 | 0 | 0 | 0 | 114.7 | H610 R614 | H610-S612 PolarHBondContact O-N 3.28Å; S612-R614 VanDerWaalsContact C-N 3.31Å; S612-R614 PolarHBondContact O-N 3.09Å | ||
| 613 | E | 52.7 | Low | 74.7 | Confident | 131 Ų | 131 | 85.1 Ų | 85.1 | 61% | 0.612 | 41% | 0.414 | S | S | * | . | trans | -84.6 | 63.3 | -176.9 | -63.7 | -176.4 | 177.8 | 0 | 0 | 112.7 | S611 L615 | S611-E613 PolarHBondContact O-N 2.89Å; S611-E613 VanDerWaalsContact O-N 3.14Å; E613-L615 VanDerWaalsContact C-N 3.35Å; E613-L615 PolarHBondContact O-N 2.77Å | ||
| 614 | R | 70 | Confident | 74.3 | Confident | 101 Ų | 101 | 91.9 Ų | 91.9 | 38% | 0.381 | 44% | 0.438 | S | S | . | . | trans | -89.4 | 76.6 | 166.5 | -59.4 | -172 | -166.6 | 156.4 | 10.1 | 110.2 | I609 S612 F616 R624 F625 | I609-R614 VanDerWaalsContact CG2-NH2 3.32Å; I609-R614 PolarHBondContact O-NH2 2.83Å; S612-R614 VanDerWaalsContact C-N 3.31Å; S612-R614 PolarHBondContact O-N 3.09Å; R614-F616 VanDerWaalsContact C-N 3.34Å; R614-F616 PolarHBondContact O-N 3.27Å; R614-R624 HydrophobicContact CB-CB 3.72Å; R614-R624 PolarHBondContact O-NE 3.09Å; R614-R624 VanDerWaalsContact O-NE 3.11Å; R614-R624 PolarHBondContact O-NH2 3.41Å; R614-F625 CarbonylContact C-O 3.54Å | ||
| 615 | L | 78.2 | Confident | 74.5 | Confident | 110 Ų | 110 | 87 Ų | 87 | 58% | 0.576 | 42% | 0.417 | S | S | * | . | trans | -64.5 | -29.3 | -172.2 | -62.4 | 173.4 | 0 | 0 | 0 | 114.3 | E613 F625 | E613-L615 VanDerWaalsContact C-N 3.35Å; E613-L615 PolarHBondContact O-N 2.77Å; L615-F625 PolarHBondContact N-O 2.76Å | ||
| 616 | F | 79.3 | Confident | 74.6 | Confident | 44 Ų | 44 | 82 Ų | 82 | 19% | 0.193 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 105.9 | -170.7 | -56.6 | -80.2 | 0 | 0 | 0 | 112.1 | L339 R614 R624 F625 L628 C631 | L339-F616 HydrophobicContact CD2-CE1 4.11Å; R614-F616 VanDerWaalsContact C-N 3.34Å; R614-F616 PolarHBondContact O-N 3.27Å; F616-R624 CarbonylContact O-C 3.51Å; F616-R624 WeakPolarHBondContact O-CA 3.43Å; F616-F625 HydrophobicContact CB-CB 4.49Å; F616-F625 PolarHBondContact N-O 2.78Å; F616-F625 PolarHBondContact O-N 2.85Å; F616-L628 HydrophobicContact CD1-CB 3.96Å; F616-L628 HydrophobicContact CD1-CD1 3.86Å; F616-L628 HydrophobicContact CD1-CG 4.45Å; F616-L628 HydrophobicContact CD2-CB 4.28Å; F616-L628 VanDerWaalsContact CD2-N 3.27Å; F616-L628 HydrophobicContact CE1-CB 3.84Å; F616-L628 HydrophobicContact CE1-CD1 4.2Å; F616-L628 HydrophobicContact CE1-CG 4.42Å; F616-L628 HydrophobicContact CE2-CB 4.17Å; F616-L628 HydrophobicContact CG-CB 4.18Å; F616-L628 HydrophobicContact CG-CD1 4.49Å; F616-L628 HydrophobicContact CZ-CB 3.95Å; F616-C631 HydrophobicContact CB-CB 4.13Å |
| 617 | S | 81.9 | Confident | 74.6 | Confident | 70 Ų | 70 | 86.5 Ų | 86.5 | 49% | 0.49 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 151.9 | 166 | 45.3 | 0 | 0 | 0 | 0 | 111.5 | K623 C631 | S617-K623 CarbonylContact C-O 3.54Å; S617-K623 WeakPolarHBondContact CA-O 3.15Å; S617-C631 PolarHBondContact O-SG 3.38Å |
| 618 | C | 79.2 | Confident | 75.1 | Confident | 0 Ų | 0 | 87.3 Ų | 87.3 | 0% | 0 | 43% | 0.425 | C | S | . | . | trans | -84.7 | 125.8 | 160.3 | 175.8 | 0 | 0 | 0 | 0 | 109 | I620 H622 K623 F625 H634 L635 | C618-I620 PolarHBondContact O-N 3.17Å; C618-I620 PolarHBondContact SG-N 2.76Å; C618-I620 VanDerWaalsContact SG-N 3.38Å; C618-H622 WeakPolarHBondContact O-CA 3.4Å; C618-H622 PolarHBondContact O-N 3.2Å; C618-K623 PolarHBondContact N-O 3.01Å; C618-F625 HydrophobicContact CB-CE2 4.19Å; C618-H634 VanDerWaalsContact CB-CD2 3.45Å; C618-H634 WeakPolarHBondContact CB-CD2 3.39Å; C618-H634 WeakPolarHBondContact CB-NE2 3.31Å; C618-H634 VanDerWaalsContact SG-CD2 3.58Å; C618-H634 PolarHBondContact SG-NE2 3.39Å; C618-L635 WeakPolarHBondContact SG-CD2 3.43Å | ||
| 619 | Y | 83.6 | Confident | 75.7 | Confident | 173 Ų | 173 | 91 Ų | 91 | 68% | 0.678 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11.6 | 178.4 | 67.3 | -92.8 | 0 | 0 | 0 | 114.1 | L635 | Y619-L635 HydrophobicContact CD1-CD2 4.06Å; Y619-L635 HydrophobicContact CE1-CD1 4.26Å; Y619-L635 HydrophobicContact CE1-CD2 3.62Å |
| 620 | I | 81.3 | Confident | 76.4 | Confident | 75 Ų | 75 | 89 Ų | 89 | 39% | 0.385 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -21.8 | -176.8 | -47.2 | 175.2 | 0 | 0 | 0 | 112.7 | C618 L635 H638 | C618-I620 PolarHBondContact O-N 3.17Å; C618-I620 PolarHBondContact SG-N 2.76Å; C618-I620 VanDerWaalsContact SG-N 3.38Å; I620-L635 HydrophobicContact CD1-CD2 3.67Å; I620-L635 HydrophobicContact CG1-CD2 4.01Å; I620-H638 HydrophobicContact CD1-CB 3.56Å; I620-H638 HydrophobicContact CG2-CB 4.33Å; I620-H638 VanDerWaalsContact CG2-ND1 3.33Å; I620-H638 WeakPolarHBondContact CG2-ND1 3.29Å |
| 621 | C | 86.2 | Confident | 77 | Confident | 34 Ų | 34 | 86.3 Ų | 86.3 | 23% | 0.23 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -147.4 | 12.9 | 174.5 | 75.1 | 0 | 0 | 0 | 0 | 115.1 | K623 H634 H638 | C621-K623 PolarHBondContact O-N 3.06Å; C621-H634 PolarHBondContact SG-CE1 2.8Å; C621-H634 PolarHBondContact SG-NE2 3.47Å; C621-H638 PolarHBondContact SG-NE2 3.27Å |
| 622 | H | 75.1 | Confident | 78 | Confident | 130 Ų | 130 | 91.5 Ų | 91.5 | 60% | 0.602 | 44% | 0.435 | S | S | * | . | trans | 56.7 | 12.8 | 176.1 | -52.6 | -85.8 | 0 | 0 | 0 | 116 | C618 R624 | C618-H622 WeakPolarHBondContact O-CA 3.4Å; C618-H622 PolarHBondContact O-N 3.2Å; H622-R624 PolarHBondContact O-N 3.05Å | ||
| 623 | K | 81 | Confident | 79.7 | Confident | 125 Ų | 125 | 92.5 Ų | 92.5 | 54% | 0.543 | 43% | 0.425 | S | S | . | . | trans | -61.1 | 125.3 | 170.6 | -76 | -178.6 | -178.5 | 178.9 | 0 | 110 | S617 C618 C621 F625 | S617-K623 CarbonylContact C-O 3.54Å; S617-K623 WeakPolarHBondContact CA-O 3.15Å; C618-K623 PolarHBondContact N-O 3.01Å; C621-K623 PolarHBondContact O-N 3.06Å; K623-F625 HydrophobicContact CB-CE2 3.78Å; K623-F625 HydrophobicContact CB-CZ 3.91Å; K623-F625 VanDerWaalsContact O-CD2 3.24Å; K623-F625 WeakPolarHBondContact O-CD2 3.47Å; K623-F625 WeakPolarHBondContact O-CE2 3.21Å | ||
| 624 | R | 77.8 | Confident | 81.3 | Confident | 160 Ų | 160 | 87.5 Ų | 87.5 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 136.3 | -179.7 | -56.6 | -178 | 74.5 | 153.7 | 6.9 | 111.4 | R614 F616 H622 | R614-R624 HydrophobicContact CB-CB 3.72Å; R614-R624 PolarHBondContact O-NE 3.09Å; R614-R624 VanDerWaalsContact O-NE 3.11Å; R614-R624 PolarHBondContact O-NH2 3.41Å; F616-R624 CarbonylContact O-C 3.51Å; F616-R624 WeakPolarHBondContact O-CA 3.43Å; H622-R624 PolarHBondContact O-N 3.05Å |
| 625 | F | 82.1 | Confident | 82.1 | Confident | 42 Ų | 42 | 84.7 Ų | 84.7 | 18% | 0.184 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 143.9 | -176.3 | -60.2 | -87 | 0 | 0 | 0 | 110.2 | R614 L615 F616 C618 K623 F627 C631 H634 | R614-F625 CarbonylContact C-O 3.54Å; L615-F625 PolarHBondContact N-O 2.76Å; F616-F625 HydrophobicContact CB-CB 4.49Å; F616-F625 PolarHBondContact N-O 2.78Å; F616-F625 PolarHBondContact O-N 2.85Å; C618-F625 HydrophobicContact CB-CE2 4.19Å; K623-F625 HydrophobicContact CB-CE2 3.78Å; K623-F625 HydrophobicContact CB-CZ 3.91Å; K623-F625 VanDerWaalsContact O-CD2 3.24Å; K623-F625 WeakPolarHBondContact O-CD2 3.47Å; K623-F625 WeakPolarHBondContact O-CE2 3.21Å; F625-F627 VanDerWaalsContact C-N 3.3Å; F625-C631 HydrophobicContact CB-CB 4.21Å; F625-C631 HydrophobicContact CD2-CB 3.62Å; F625-C631 HydrophobicContact CE2-CB 4.3Å; F625-C631 HydrophobicContact CG-CB 4.05Å; F625-H634 HydrophobicContact CE1-CB 4.07Å; F625-H634 HydrophobicContact CE2-CB 4.12Å; F625-H634 AromaticContact CE2-CD2 3.36Å; F625-H634 WeakPolarHBondContact CE2-CD2 3.33Å; F625-H634 AromaticContact CE2-CG 3.88Å; F625-H634 HydrophobicContact CZ-CB 3.51Å; F625-H634 AromaticContact CZ-CD2 3.35Å; F625-H634 WeakPolarHBondContact CZ-CD2 3.32Å; F625-H634 AromaticContact CZ-CG 3.39Å |
| 626 | Q | 75.6 | Confident | 82.5 | Confident | 66 Ų | 66 | 84.6 Ų | 84.6 | 31% | 0.308 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -69.5 | -27.2 | 174.2 | -167.4 | -179.2 | 23.1 | 0 | 0 | 112.6 | ||
| 627 | F | 81.6 | Confident | 82.5 | Confident | 119 Ų | 119 | 87.5 Ų | 87.5 | 52% | 0.522 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -132.4 | 136.6 | -175.8 | -53.6 | -70.4 | 0 | 0 | 0 | 111.9 | F625 H629 S630 C631 | F625-F627 VanDerWaalsContact C-N 3.3Å; F627-H629 PolarHBondContact O-N 2.78Å; F627-S630 WeakPolarHBondContact O-CB 3.39Å; F627-S630 PolarHBondContact O-N 3.3Å; F627-C631 PolarHBondContact O-N 3.19Å |
| 628 | L | 82.9 | Confident | 82.4 | Confident | 69 Ų | 69 | 86.1 Ų | 86.1 | 36% | 0.361 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -54 | -35.7 | 177.2 | -179 | 61 | 0 | 0 | 0 | 113.2 | F616 S630 C631 R632 | F616-L628 HydrophobicContact CD1-CB 3.96Å; F616-L628 HydrophobicContact CD1-CD1 3.86Å; F616-L628 HydrophobicContact CD1-CG 4.45Å; F616-L628 HydrophobicContact CD2-CB 4.28Å; F616-L628 VanDerWaalsContact CD2-N 3.27Å; F616-L628 HydrophobicContact CE1-CB 3.84Å; F616-L628 HydrophobicContact CE1-CD1 4.2Å; F616-L628 HydrophobicContact CE1-CG 4.42Å; F616-L628 HydrophobicContact CE2-CB 4.17Å; F616-L628 HydrophobicContact CG-CB 4.18Å; F616-L628 HydrophobicContact CG-CD1 4.49Å; F616-L628 HydrophobicContact CZ-CB 3.95Å; L628-S630 VanDerWaalsContact C-N 3.3Å; L628-S630 PolarHBondContact O-N 3.05Å; L628-C631 PolarHBondContact O-N 3.26Å; L628-R632 HydrophobicContact CD1-CG 4.31Å; L628-R632 HydrophobicContact CG-CG 4.37Å; L628-R632 WeakPolarHBondContact O-CG 3.21Å; L628-R632 PolarHBondContact O-N 3.19Å |
| 629 | H | 83.9 | Confident | 81.9 | Confident | 143 Ų | 143 | 89.7 Ų | 89.7 | 66% | 0.662 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.3 | -35.9 | 177.1 | -177.8 | 65.1 | 0 | 0 | 0 | 112.6 | F627 R632 K633 | F627-H629 PolarHBondContact O-N 2.78Å; H629-R632 PolarHBondContact O-N 3.27Å; H629-K633 WeakPolarHBondContact O-CB 3.44Å; H629-K633 PolarHBondContact O-N 3.06Å |
| 630 | S | 86.7 | Confident | 80.6 | Confident | 52 Ų | 52 | 87.7 Ų | 87.7 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 175.3 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | F627 L628 K633 H634 | F627-S630 WeakPolarHBondContact O-CB 3.39Å; F627-S630 PolarHBondContact O-N 3.3Å; L628-S630 VanDerWaalsContact C-N 3.3Å; L628-S630 PolarHBondContact O-N 3.05Å; S630-K633 PolarHBondContact O-N 3.02Å; S630-H634 WeakPolarHBondContact O-CB 3.22Å; S630-H634 PolarHBondContact O-N 3.21Å; S630-H634 VanDerWaalsContact O-N 3.07Å |
| 631 | C | 83.8 | Confident | 78.9 | Confident | 5 Ų | 5 | 89 Ų | 89 | 3% | 0.034 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.2 | -48.7 | 172.2 | -173.8 | 0 | 0 | 0 | 0 | 111.4 | F616 S617 F625 F627 L628 K633 H634 L635 | F616-C631 HydrophobicContact CB-CB 4.13Å; S617-C631 PolarHBondContact O-SG 3.38Å; F625-C631 HydrophobicContact CB-CB 4.21Å; F625-C631 HydrophobicContact CD2-CB 3.62Å; F625-C631 HydrophobicContact CE2-CB 4.3Å; F625-C631 HydrophobicContact CG-CB 4.05Å; F627-C631 PolarHBondContact O-N 3.19Å; L628-C631 PolarHBondContact O-N 3.26Å; C631-K633 PolarHBondContact O-N 3.13Å; C631-H634 CarbonylContact O-C 3.51Å; C631-H634 WeakPolarHBondContact O-CA 3.49Å; C631-H634 WeakPolarHBondContact O-CB 3.14Å; C631-H634 PolarHBondContact O-N 2.82Å; C631-L635 PolarHBondContact O-N 3.44Å |
| 632 | R | 87.4 | Confident | 76.5 | Confident | 156 Ų | 156 | 96.5 Ų | 96.5 | 59% | 0.589 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -58.9 | -43.3 | 176.2 | -74.8 | -178.3 | 175.2 | 175 | -1.1 | 113 | L628 H629 H634 L635 L636 | L628-R632 HydrophobicContact CD1-CG 4.31Å; L628-R632 HydrophobicContact CG-CG 4.37Å; L628-R632 WeakPolarHBondContact O-CG 3.21Å; L628-R632 PolarHBondContact O-N 3.19Å; H629-R632 PolarHBondContact O-N 3.27Å; R632-H634 PolarHBondContact O-N 2.94Å; R632-L635 PolarHBondContact O-N 3.3Å; R632-L636 PolarHBondContact O-N 3.01Å |
| 633 | K | 84.6 | Confident | 74.4 | Confident | 138 Ų | 138 | 102 Ų | 102 | 60% | 0.6 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.7 | -29.1 | 175.5 | -171.9 | 178.2 | 179.2 | -174.8 | 0 | 112.4 | H629 S630 C631 | H629-K633 WeakPolarHBondContact O-CB 3.44Å; H629-K633 PolarHBondContact O-N 3.06Å; S630-K633 PolarHBondContact O-N 3.02Å; C631-K633 PolarHBondContact O-N 3.13Å |
| 634 | H | 86.2 | Confident | 71.9 | Confident | 26 Ų | 26 | 101 Ų | 101 | 12% | 0.12 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -81.9 | -36.9 | 174.9 | 161.6 | 65.3 | 0 | 0 | 0 | 112.8 | C618 C621 F625 S630 C631 R632 L636 N637 H638 | C618-H634 VanDerWaalsContact CB-CD2 3.45Å; C618-H634 WeakPolarHBondContact CB-CD2 3.39Å; C618-H634 WeakPolarHBondContact CB-NE2 3.31Å; C618-H634 VanDerWaalsContact SG-CD2 3.58Å; C618-H634 PolarHBondContact SG-NE2 3.39Å; C621-H634 PolarHBondContact SG-CE1 2.8Å; C621-H634 PolarHBondContact SG-NE2 3.47Å; F625-H634 HydrophobicContact CE1-CB 4.07Å; F625-H634 HydrophobicContact CE2-CB 4.12Å; F625-H634 AromaticContact CE2-CD2 3.36Å; F625-H634 WeakPolarHBondContact CE2-CD2 3.33Å; F625-H634 AromaticContact CE2-CG 3.88Å; F625-H634 HydrophobicContact CZ-CB 3.51Å; F625-H634 AromaticContact CZ-CD2 3.35Å; F625-H634 WeakPolarHBondContact CZ-CD2 3.32Å; F625-H634 AromaticContact CZ-CG 3.39Å; S630-H634 WeakPolarHBondContact O-CB 3.22Å; S630-H634 PolarHBondContact O-N 3.21Å; S630-H634 VanDerWaalsContact O-N 3.07Å; C631-H634 CarbonylContact O-C 3.51Å; C631-H634 WeakPolarHBondContact O-CA 3.49Å; C631-H634 WeakPolarHBondContact O-CB 3.14Å; C631-H634 PolarHBondContact O-N 2.82Å; R632-H634 PolarHBondContact O-N 2.94Å; H634-L636 PolarHBondContact O-N 3.33Å; H634-N637 WeakPolarHBondContact O-CA 3.46Å; H634-N637 WeakPolarHBondContact O-CB 3.47Å; H634-N637 PolarHBondContact O-N 3.43Å; H634-H638 AromaticContact CE1-CD2 3.72Å; H634-H638 AromaticContact CE1-NE2 3.24Å; H634-H638 PolarHBondContact CE1-NE2 2.91Å; H634-H638 AromaticContact NE2-CD2 3.79Å; H634-H638 AromaticContact NE2-NE2 3.38Å; H634-H638 PolarHBondContact NE2-NE2 2.94Å; H634-H638 PolarHBondContact O-N 3.24Å |
| 635 | L | 85.2 | Confident | 69.7 | Low | 41 Ų | 41 | 102.9 Ų | 102.9 | 22% | 0.215 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -59 | -35.8 | 169.5 | -74.5 | 167.4 | 0 | 0 | 0 | 111.8 | C618 Y619 I620 C631 R632 N637 H638 S639 | C618-L635 WeakPolarHBondContact SG-CD2 3.43Å; Y619-L635 HydrophobicContact CD1-CD2 4.06Å; Y619-L635 HydrophobicContact CE1-CD1 4.26Å; Y619-L635 HydrophobicContact CE1-CD2 3.62Å; I620-L635 HydrophobicContact CD1-CD2 3.67Å; I620-L635 HydrophobicContact CG1-CD2 4.01Å; C631-L635 PolarHBondContact O-N 3.44Å; R632-L635 PolarHBondContact O-N 3.3Å; L635-N637 PolarHBondContact O-N 3.22Å; L635-H638 WeakPolarHBondContact O-CA 3.4Å; L635-H638 WeakPolarHBondContact O-CB 3.38Å; L635-H638 PolarHBondContact O-N 2.84Å; L635-S639 PolarHBondContact O-N 2.96Å |
| 636 | L | 86.9 | Confident | 67.4 | Low | 109 Ų | 109 | 111.1 Ų | 111.1 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.8 | -25.7 | 170.1 | -87.2 | 153.7 | 0 | 0 | 0 | 113.7 | R632 H634 S639 I640 | R632-L636 PolarHBondContact O-N 3.01Å; H634-L636 PolarHBondContact O-N 3.33Å; L636-S639 PolarHBondContact O-OG 3.16Å; L636-I640 WeakPolarHBondContact O-CD1 3.33Å; L636-I640 WeakPolarHBondContact O-CG1 3.49Å |
| 637 | N | 80.3 | Confident | 65.3 | Low | 104 Ų | 104 | 117.3 Ų | 117.3 | 56% | 0.556 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -77.5 | -26.1 | 172.7 | -65 | -16.8 | 0 | 0 | 0 | 112.1 | H634 L635 | H634-N637 WeakPolarHBondContact O-CA 3.46Å; H634-N637 WeakPolarHBondContact O-CB 3.47Å; H634-N637 PolarHBondContact O-N 3.43Å; L635-N637 PolarHBondContact O-N 3.22Å |
| 638 | H | 80.2 | Confident | 62.6 | Low | 42 Ų | 42 | 121 Ų | 121 | 19% | 0.194 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -77.2 | -31.1 | 172.5 | -72.8 | -76.3 | 0 | 0 | 0 | 112.6 | I620 C621 H634 L635 I640 T641 | I620-H638 HydrophobicContact CD1-CB 3.56Å; I620-H638 HydrophobicContact CG2-CB 4.33Å; I620-H638 VanDerWaalsContact CG2-ND1 3.33Å; I620-H638 WeakPolarHBondContact CG2-ND1 3.29Å; C621-H638 PolarHBondContact SG-NE2 3.27Å; H634-H638 AromaticContact CE1-CD2 3.72Å; H634-H638 AromaticContact CE1-NE2 3.24Å; H634-H638 PolarHBondContact CE1-NE2 2.91Å; H634-H638 AromaticContact NE2-CD2 3.79Å; H634-H638 AromaticContact NE2-NE2 3.38Å; H634-H638 PolarHBondContact NE2-NE2 2.94Å; H634-H638 PolarHBondContact O-N 3.24Å; L635-H638 WeakPolarHBondContact O-CA 3.4Å; L635-H638 WeakPolarHBondContact O-CB 3.38Å; L635-H638 PolarHBondContact O-N 2.84Å; H638-I640 PolarHBondContact O-N 2.84Å; H638-T641 PolarHBondContact O-N 2.85Å; H638-T641 PolarHBondContact O-OG1 2.98Å |
| 639 | S | 67.3 | Low | 60.3 | Low | 75 Ų | 75 | 126.8 Ų | 126.8 | 52% | 0.524 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.7 | -26.7 | 175.8 | 65.9 | 0 | 0 | 0 | 0 | 112.7 | L635 L636 T641 | L635-S639 PolarHBondContact O-N 2.96Å; L636-S639 PolarHBondContact O-OG 3.16Å; S639-T641 VanDerWaalsContact C-N 3.26Å; S639-T641 PolarHBondContact O-N 3.44Å |
| 640 | I | 56.8 | Low | 57.5 | Low | 130 Ų | 130 | 126.8 Ų | 126.8 | 67% | 0.667 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -68.5 | -23.1 | 175.9 | -65.1 | 167.1 | 0 | 0 | 0 | 112 | L636 H638 | L636-I640 WeakPolarHBondContact O-CD1 3.33Å; L636-I640 WeakPolarHBondContact O-CG1 3.49Å; H638-I640 PolarHBondContact O-N 2.84Å |
| 641 | T | 45.9 | Very low | 54.5 | Low | 102 Ų | 102 | 130.3 Ų | 130.3 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -91.5 | 4.3 | -176.8 | 51.2 | 0 | 0 | 0 | 0 | 115.4 | H638 S639 | H638-T641 PolarHBondContact O-N 2.85Å; H638-T641 PolarHBondContact O-OG1 2.98Å; S639-T641 VanDerWaalsContact C-N 3.26Å; S639-T641 PolarHBondContact O-N 3.44Å |
| 642 | K | 36.2 | Very low | 51.9 | Low | 192 Ų | 192 | 139.4 Ų | 139.4 | 84% | 0.835 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -103.6 | 5.8 | 178.7 | -82 | -162.5 | 173.6 | -170.1 | 0 | 116.1 | ||
| 643 | R | 29.4 | Very low | 48.9 | Very low | 246 Ų | 246 | 141.4 Ų | 141.4 | 93% | 0.928 | 68% | 0.682 | S | S | * | * | trans | -105.3 | 66.8 | 174.7 | -80.1 | -171.3 | 170.6 | -175.6 | -3.3 | 113 | ||||
| 644 | S | 28.7 | Very low | 46 | Very low | 104 Ų | 104 | 143.3 Ų | 143.3 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -159.9 | 43.3 | 170 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 645 | K | 32.3 | Very low | 43.1 | Very low | 200 Ų | 200 | 146.6 Ų | 146.6 | 87% | 0.87 | 72% | 0.724 | S | S | * | * | trans | -146.5 | 95.8 | 165.5 | -75.9 | -163.1 | 177.8 | -170.1 | 0 | 110.9 | ||||
| 646 | K | 34.5 | Very low | 40.3 | Very low | 215 Ų | 215 | 153.3 Ų | 153.3 | 94% | 0.935 | 75% | 0.754 | S | S | * | * | trans | -157.6 | 106.1 | 144.3 | -104.6 | -170.8 | 178.7 | -167.4 | 0 | 106 | ||||
| 647 | Q | 30.7 | Very low | 37.3 | Very low | 195 Ų | 195 | 153.5 Ų | 153.5 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | -78 | 165.5 | 177.7 | -84.2 | 160.3 | -72.4 | 0 | 0 | 110.5 | ||||
| 648 | K | 25 | Very low | 34.7 | Very low | 197 Ų | 197 | 153.3 Ų | 153.3 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -74.1 | 140.3 | 171.8 | -58.4 | 168 | 175.1 | 178.7 | 0 | 109.7 | ||||
| 649 | H | 33.6 | Very low | 32 | Very low | 190 Ų | 190 | 156.6 Ų | 156.6 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | -136.7 | 168.5 | 144.5 | -98.5 | -86.9 | 0 | 0 | 0 | 108.9 | ||||
| 650 | N | 24.8 | Very low | 30.1 | Very low | 143 Ų | 143 | 156.8 Ų | 156.8 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -88.3 | 147.1 | -153.7 | -79.7 | -24.7 | 0 | 0 | 0 | 116 | ||||
| 651 | V | 25.3 | Very low | 28.7 | Very low | 127 Ų | 127 | 158.4 Ų | 158.4 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | 31.5 | 105 | 130 | -167.6 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 652 | Q | 28.1 | Very low | 27.7 | Very low | 195 Ų | 195 | 161.9 Ų | 161.9 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | -163.8 | 165.8 | 110.4 | -112 | 171.2 | 0.1 | 0 | 0 | 110.9 | |||||
| 653 | K | 24.4 | Very low | 27.4 | Very low | 199 Ų | 199 | 159.3 Ų | 159.3 | 87% | 0.865 | 83% | 0.827 | S | S | * | * | trans | -86.1 | 137.7 | -178.2 | -66.6 | 173.3 | 176.7 | 175.9 | 0 | 110.5 | ||||
| 654 | L | 23.5 | Very low | 27.2 | Very low | 177 Ų | 177 | 153.6 Ų | 153.6 | 93% | 0.927 | 82% | 0.82 | S | S | * | * | trans | -164.5 | 154.9 | 133 | -105.8 | 152.3 | 0 | 0 | 0 | 109.3 | ||||
| 655 | S | 26.5 | Very low | 26.8 | Very low | 95 Ų | 95 | 155.7 Ų | 155.7 | 66% | 0.664 | 82% | 0.821 | S | S | * | * | trans | -106.7 | 141.1 | -172.8 | 43.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 656 | E | 25 | Very low | 26.5 | Very low | 182 Ų | 182 | 152.3 Ų | 152.3 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | 74.8 | 146.3 | 159.3 | -63.7 | 179.1 | 169.9 | 0 | 0 | 120.2 | ||||
| 657 | S | 25.1 | Very low | 25.8 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 76.5 | 153.4 | 172.9 | 76.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 658 | C | 24.5 | Very low | 25.4 | Very low | 101 Ų | 101 | 150.1 Ų | 150.1 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | trans | 59.4 | 116.6 | 178.3 | -62.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 659 | A | 23.3 | Very low | 25.7 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | cis | 67.9 | 35.1 | 1.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 660 | S | 27.6 | Very low | 25.1 | Very low | 79 Ų | 79 | 143.1 Ų | 143.1 | 55% | 0.552 | 79% | 0.793 | S | S | * | * | trans | -159.3 | 94.7 | 166.9 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 661 | D | 28.2 | Very low | 25.2 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -139.8 | 57 | 158.3 | -93.8 | -32.6 | 0 | 0 | 0 | 107.4 | ||||
| 662 | M | 24.4 | Very low | 24.8 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -91.4 | 97.3 | 165.6 | -71.9 | -98.4 | 80.3 | 0 | 0 | 106.8 | T664 | M662-T664 PolarHBondContact O-N 3.12Š| ||
| 663 | V | 30.6 | Very low | 24.7 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 127.1 | 169.5 | 177.2 | 0 | 0 | 0 | 0 | 108 | ||
| 664 | T | 24.3 | Very low | 24.5 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 142.3 | -167.4 | 32.2 | 0 | 0 | 0 | 0 | 113.5 | M662 | M662-T664 PolarHBondContact O-N 3.12Š|
| 665 | I | 20.7 | Very low | 24.5 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 126.5 | 174.1 | -67.9 | 162 | 0 | 0 | 0 | 109.3 | ||
| 666 | P | 25.8 | Very low | 24.3 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 137.3 | 163 | -17.8 | 31.9 | 0 | 0 | 0 | 110.2 | ||
| 667 | K | 20.6 | Very low | 24.1 | Very low | 169 Ų | 169 | 139 Ų | 139 | 74% | 0.735 | 78% | 0.782 | S | S | * | * | trans | -119.4 | 135.5 | -160.7 | -127.8 | -177.4 | -179.4 | -173.9 | 0 | 110.8 | ||||
| 668 | Y | 22.6 | Very low | 24 | Very low | 196 Ų | 196 | 139.7 Ų | 139.7 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 68.8 | 163 | 165.9 | -69.3 | -82.3 | 0 | 0 | 0 | 118.8 | ||||
| 669 | P | 30.9 | Very low | 23.9 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -118 | 165.9 | -4.7 | 17 | 6.5 | 0 | 0 | 0 | 116 | ||||
| 670 | V | 21 | Very low | 23.8 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | trans | -77.2 | 128.9 | 167 | 172.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 671 | L | 25.6 | Very low | 23.6 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -96.6 | 129.7 | 159.5 | -94.2 | 167.3 | 0 | 0 | 0 | 109.1 | ||||
| 672 | Q | 18.9 | Very low | 23.3 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -122.2 | 107.5 | -176.3 | 176.1 | -179.2 | -2.2 | 0 | 0 | 107.7 | ||||
| 673 | T | 25.5 | Very low | 23.2 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -137.9 | 139.9 | 165.2 | 32.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 674 | V | 20.1 | Very low | 22.9 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -108.3 | 170.2 | -176.9 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 675 | I | 22.7 | Very low | 22.7 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | trans | 123.1 | 102 | 152.3 | -63.9 | 178.5 | 0 | 0 | 0 | 115.7 | ||||
| 676 | I | 22.9 | Very low | 22.8 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | trans | 72.2 | 141.1 | 135.7 | -61 | 177.4 | 0 | 0 | 0 | 121.4 | ||||
| 677 | D | 20 | Very low | 22.7 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | -59.8 | 158.4 | -179.9 | -61 | -79 | 0 | 0 | 0 | 116.2 | ||||
| 678 | S | 24.6 | Very low | 22.7 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 88% | 0.881 | 78% | 0.783 | S | S | * | * | trans | -144.5 | 134.9 | 148.2 | -78.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 679 | L | 20.9 | Very low | 22.9 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -82.2 | 156 | -164.1 | -98.2 | 78.9 | 0 | 0 | 0 | 115 | ||||
| 680 | S | 21.3 | Very low | 22.5 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | -32.7 | 142 | 154.6 | 56.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 681 | K | 23.3 | Very low | 23.6 | Very low | 202 Ų | 202 | 135.6 Ų | 135.6 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | trans | -178.9 | 152.1 | 138.2 | -95.4 | 154.9 | -173.6 | -177.9 | 0 | 105.3 | ||||
| 682 | S | 22.2 | Very low | 23.6 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | cis | -179.6 | 166.5 | -6.7 | 50.7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 683 | R | 22 | Very low | 23.8 | Very low | 215 Ų | 215 | 132.5 Ų | 132.5 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | cis | -166.9 | 173.5 | -4.6 | -129 | -177.5 | 175.7 | 159.2 | -3.1 | 107.4 | ||||
| 684 | D | 24.5 | Very low | 23.8 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 56.5 | 124.5 | 152.8 | -46.1 | -23.6 | 0 | 0 | 0 | 119 | ||||
| 685 | A | 20.3 | Very low | 23.8 | Very low | 107 Ų | 107 | 133 Ų | 133 | 88% | 0.884 | 78% | 0.783 | S | S | * | * | cis | 72.1 | 86.3 | 10.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 686 | G | 23.8 | Very low | 23.8 | Very low | 64 Ų | 64 | 129.2 Ų | 129.2 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | trans | -145.2 | 120.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 687 | S | 22.1 | Very low | 24 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 70.1 | 96.7 | 91.1 | 65.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 688 | C | 20.9 | Very low | 24.1 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 86% | 0.858 | 78% | 0.783 | S | S | * | * | 74.7 | 101.6 | 88.1 | -70.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 689 | S | 26.6 | Very low | 24.1 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | 171.8 | 109 | 130 | 36.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 690 | D | 22.8 | Very low | 24.3 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | 48.2 | 168.4 | 126.7 | -88.3 | -18.6 | 0 | 0 | 0 | 123.5 | |||||
| 691 | P | 44.7 | Very low | 24.4 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -112.4 | 167.5 | -133.7 | 42.1 | -39 | 0 | 0 | 0 | 116.5 | ||||
| 692 | N | 26 | Very low | 24.3 | Very low | 153 Ų | 153 | 130 Ų | 130 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -162.7 | 117 | 133.5 | -98.4 | -32.7 | 0 | 0 | 0 | 115 | ||||
| 693 | V | 22 | Very low | 24.4 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | 33.3 | 145.3 | 124.4 | -171.8 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 694 | T | 25.8 | Very low | 24.7 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | 79 | 91.3 | 161.5 | 31.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 695 | V | 20.2 | Very low | 24.4 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | 14.8 | 116.6 | 119.7 | -173.9 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 696 | G | 23.4 | Very low | 24.5 | Very low | 61 Ų | 61 | 126.2 Ų | 126.2 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | trans | -169.4 | 113.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 697 | D | 26.8 | Very low | 24.6 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | 58.1 | 163.9 | 153.3 | -56.6 | -24.9 | 0 | 0 | 0 | 120.5 | ||||
| 698 | F | 22.4 | Very low | 24.7 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | -152.4 | 151.2 | -56 | -144.8 | -91 | 0 | 0 | 0 | 103.6 | N700 | F698-N700 PolarHBondContact O-N 2.86Š| |||
| 699 | I | 23.2 | Very low | 24.7 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 68% | 0.677 | 72% | 0.716 | S | S | * | * | trans | -51.1 | 122.5 | 176 | -66.2 | 159 | 0 | 0 | 0 | 110.8 | T701 | I699-T701 VanDerWaalsContact CG2-OG1 3.23Å; I699-T701 WeakPolarHBondContact CG2-OG1 3.38Å | ||
| 700 | N | 26.9 | Very low | 24.6 | Very low | 171 Ų | 171 | 128 Ų | 128 | 91% | 0.914 | 71% | 0.705 | S | S | * | * | trans | -119.5 | 138.8 | 148.5 | -105.6 | -21.6 | 0 | 0 | 0 | 109 | F698 | F698-N700 PolarHBondContact O-N 2.86Š| ||
| 701 | T | 22.9 | Very low | 24.6 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | trans | -138.5 | 142.5 | -171.3 | -14.8 | 0 | 0 | 0 | 0 | 109.2 | I699 | I699-T701 VanDerWaalsContact CG2-OG1 3.23Å; I699-T701 WeakPolarHBondContact CG2-OG1 3.38Å | ||
| 702 | V | 21.5 | Very low | 23.5 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 81% | 0.812 | 68% | 0.682 | S | S | * | * | trans | 71.3 | 114.4 | 164.2 | -176.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 703 | E | 24.2 | Very low | 24.1 | Very low | 150 Ų | 150 | 118.8 Ų | 118.8 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | -156.6 | 157.8 | 115.4 | -125.2 | -174 | -151.9 | 0 | 0 | 114.2 | |||||
| 704 | K | 27.6 | Very low | 24.1 | Very low | 174 Ų | 174 | 119.7 Ų | 119.7 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | trans | 76.9 | 98.5 | 160.2 | -70.8 | 162.2 | -178.9 | 148.4 | 0 | 120.7 | ||||
| 705 | C | 19.2 | Very low | 23.8 | Very low | 81 Ų | 81 | 119.3 Ų | 119.3 | 55% | 0.547 | 67% | 0.666 | S | S | . | * | trans | -61.1 | 148.3 | 132.5 | -59.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 706 | S | 22.2 | Very low | 24 | Very low | 76 Ų | 76 | 120 Ų | 120 | 53% | 0.531 | 66% | 0.658 | S | S | . | * | 167.4 | 150 | 79.4 | 44.4 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 707 | L | 25.8 | Very low | 23.9 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | 177.9 | 142.9 | 82.3 | -99 | 125.4 | 0 | 0 | 0 | 111.3 | S4 | S4-L707 PolarHBondContact OG-O 2.87Š| |||
| 708 | Y | 22.9 | Very low | 23.7 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 58% | 0.584 | 65% | 0.654 | S | S | * | * | trans | 55.6 | 116.6 | 133.1 | -90.4 | -98.8 | 0 | 0 | 0 | 127.2 | S4 N5 | S4-Y708 CarbonylContact O-C 3.5Å; S4-Y708 VanDerWaalsContact O-C 3.28Å; S4-Y708 VanDerWaalsContact O-CA 3.24Å; S4-Y708 WeakPolarHBondContact O-CA 3.38Å; S4-Y708 PolarHBondContact O-N 2.81Å; S4-Y708 PolarHBondContact OG-O 3.3Å; N5-Y708 WeakPolarHBondContact ND2-CD1 3.29Å; N5-Y708 VanDerWaalsContact ND2-CD2 3.29Å; N5-Y708 WeakPolarHBondContact ND2-CD2 3.13Å; N5-Y708 WeakPolarHBondContact ND2-CE1 3.13Å; N5-Y708 VanDerWaalsContact ND2-CE2 3.3Å; N5-Y708 WeakPolarHBondContact ND2-CE2 3.42Å; N5-Y708 VanDerWaalsContact ND2-CG 3.26Å; N5-Y708 VanDerWaalsContact ND2-CZ 3.27Å; N5-Y708 WeakPolarHBondContact OD1-CA 3.42Å; N5-Y708 WeakPolarHBondContact OD1-CD2 3.25Å; N5-Y708 VanDerWaalsContact OD1-CE2 3.29Å; N5-Y708 WeakPolarHBondContact OD1-CE2 3.2Å; N5-Y708 PolarHBondContact OD1-N 2.86Å | ||
| 709 | N | 21.3 | Very low | 23.7 | Very low | 66 Ų | 66 | 123.1 Ų | 123.1 | 35% | 0.353 | 66% | 0.659 | S | S | . | * | trans | -10.1 | 132.2 | 144.8 | -59.8 | -25.6 | 0 | 0 | 0 | 119 | D3 S4 N5 | D3-N709 PolarHBondContact O-OD1 3.06Å; S4-N709 PolarHBondContact O-N 3.33Å; S4-N709 PolarHBondContact O-OD1 3.19Å; S4-N709 PolarHBondContact OG-N 3.1Å; N5-N709 PolarHBondContact ND2-ND2 2.94Å; N5-N709 VanDerWaalsContact ND2-ND2 3.14Å | ||
| 710 | N | 24.1 | Very low | 23.7 | Very low | 110 Ų | 110 | 120 Ų | 120 | 59% | 0.588 | 66% | 0.659 | S | S | * | * | 177.1 | 145.5 | 101.8 | -89.3 | -34.5 | 0 | 0 | 0 | 118 | D3 | D3-N710 PolarHBondContact OD2-N 3.16Š| |||
| 711 | T | 24.3 | Very low | 23.5 | Very low | 96 Ų | 96 | 119.6 Ų | 119.6 | 59% | 0.589 | 66% | 0.656 | S | S | * | * | trans | 54.7 | -177.9 | 155.9 | 60.8 | 0 | 0 | 0 | 0 | 118.5 | M1 A2 | M1-T711 CarbonylContact C-O 3.13Å; M1-T711 WeakPolarHBondContact CA-O 3.43Å; M1-T711 PolarHBondContact N-O 2.79Å; A2-T711 PolarHBondContact N-O 3.41Å | ||
| 712 | G | 21.4 | Very low | 23.4 | Very low | 42 Ų | 42 | 118.9 Ų | 118.9 | 43% | 0.433 | 66% | 0.656 | S | S | . | * | cis | -116.4 | -172.8 | -30.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 | M1-G712 WeakPolarHBondContact CA-O 3.28Å; M1-G712 VanDerWaalsContact CG-C 3.49Å; M1-G712 VanDerWaalsContact CG-O 3.25Å; M1-G712 WeakPolarHBondContact CG-O 3.16Å; M1-G712 PolarHBondContact N-O 3.22Å | ||
| 713 | P | 37.5 | Very low | 23.7 | Very low | 82 Ų | 82 | 119.5 Ų | 119.5 | 53% | 0.532 | 66% | 0.659 | S | S | . | * | trans | -118.6 | -172.4 | -159.8 | 42.8 | -31.7 | 0 | 0 | 0 | 117.2 | M1 | M1-P713 HydrophobicContact CE-CB 3.61Å; M1-P713 HydrophobicContact CE-CG 3.73Å; M1-P713 HydrophobicContact CG-CB 3.98Å | ||
| 714 | N | 21.9 | Very low | 23.4 | Very low | 136 Ų | 136 | 117.8 Ų | 117.8 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | 74.9 | 115.4 | 163.8 | -57.5 | -15.6 | 0 | 0 | 0 | 116.2 | ||||
| 715 | T | 21.2 | Very low | 23 | Very low | 117 Ų | 117 | 114.7 Ų | 114.7 | 72% | 0.718 | 65% | 0.654 | S | S | * | * | 55.4 | 105.9 | 67.1 | 67.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 716 | F | 23.1 | Very low | 23.1 | Very low | 168 Ų | 168 | 118.5 Ų | 118.5 | 74% | 0.737 | 66% | 0.664 | S | S | * | * | trans | -165 | 137.6 | 141.5 | -111.8 | -74.2 | 0 | 0 | 0 | 111.9 | ||||
| 717 | R | 22.1 | Very low | 22.9 | Very low | 210 Ų | 210 | 120 Ų | 120 | 79% | 0.792 | 67% | 0.669 | S | S | * | * | trans | 37.9 | 123.5 | 147.4 | -80 | 178.1 | -170.5 | 160.4 | 1.8 | 120.6 | ||||
| 718 | S | 22.5 | Very low | 22.6 | Very low | 84 Ų | 84 | 121.9 Ų | 121.9 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | 87.3 | 124.1 | 59.2 | 79.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 719 | D | 21.8 | Very low | 22.8 | Very low | 166 Ų | 166 | 119.7 Ų | 119.7 | 89% | 0.888 | 68% | 0.681 | S | S | * | * | trans | 58.3 | 138.4 | 146 | -48.6 | -31.8 | 0 | 0 | 0 | 121.1 | ||||
| 720 | G | 23.2 | Very low | 23 | Very low | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 70% | 0.7 | S | S | * | * | trans | 135.6 | 83.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 721 | L | 23 | Very low | 22.9 | Very low | 163 Ų | 163 | 121.5 Ų | 121.5 | 85% | 0.853 | 71% | 0.705 | S | S | * | * | 72 | 103.7 | 87 | -76.4 | 164.5 | 0 | 0 | 0 | 114.9 | |||||
| 722 | S | 20.9 | Very low | 22.8 | Very low | 95 Ų | 95 | 123.7 Ų | 123.7 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | trans | 33.1 | 114.9 | 135.3 | 59.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 723 | V | 27.1 | Very low | 23 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 89% | 0.885 | 73% | 0.725 | S | S | * | * | trans | -128.9 | 143.9 | 142.1 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 724 | V | 19.1 | Very low | 22.9 | Very low | 115 Ų | 115 | 128 Ų | 128 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | trans | -114 | 172.8 | -174.1 | -167.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 725 | V | 19.1 | Very low | 23 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 66% | 0.661 | 71% | 0.713 | S | S | * | * | trans | 87.4 | 142.1 | 154.6 | -128.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 726 | H | 21.2 | Very low | 23.1 | Very low | 161 Ų | 161 | 123.1 Ų | 123.1 | 75% | 0.745 | 70% | 0.7 | S | S | * | * | trans | 72 | 123 | 165.6 | -63.9 | -66.6 | 0 | 0 | 0 | 118.7 | ||||
| 727 | V | 18.4 | Very low | 23 | Very low | 107 Ų | 107 | 120.4 Ų | 120.4 | 65% | 0.648 | 69% | 0.693 | S | S | * | * | cis | 111 | 134.5 | 21.8 | 166.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 728 | Q | 19.6 | Very low | 23 | Very low | 171 Ų | 171 | 119.3 Ų | 119.3 | 80% | 0.799 | 69% | 0.694 | S | S | * | * | trans | 80 | 105.8 | 164.7 | -80.6 | 153.1 | -8.5 | 0 | 0 | 121.4 | ||||
| 729 | S | 27 | Very low | 23.1 | Very low | 103 Ų | 103 | 121 Ų | 121 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | 16.6 | 140.4 | 124.2 | 56.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 730 | P | 25.3 | Very low | 23.1 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | -130.3 | 160.3 | 91.1 | 6 | 17.4 | 0 | 0 | 0 | 113.8 | |||||
| 731 | S | 21.4 | Very low | 22.9 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | 73.6 | 142.4 | 56.1 | 111.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 732 | N | 22.5 | Very low | 23 | Very low | 143 Ų | 143 | 121.1 Ų | 121.1 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | cis | -173.7 | 158.8 | 1.7 | -104.3 | -9.2 | 0 | 0 | 0 | 110.7 | ||||
| 733 | N | 24.6 | Very low | 23 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 69% | 0.69 | 71% | 0.707 | S | S | * | * | trans | 19.6 | -165.3 | 144.9 | -64.2 | 7.9 | 0 | 0 | 0 | 122.5 | ||||
| 734 | P | 36.9 | Very low | 22.6 | Very low | 86 Ų | 86 | 124 Ų | 124 | 56% | 0.558 | 70% | 0.7 | S | S | * | * | cis | -118.6 | -143.8 | -26.9 | 21.9 | 4.6 | 0 | 0 | 0 | 112.4 | T828 E829 | P734-T828 CarbonylContact C-O 3.59Å; P734-T828 WeakPolarHBondContact CA-O 3.45Å; P734-E829 PolarHBondContact O-N 3.43Å | ||
| 735 | S | 22.2 | Very low | 22.8 | Very low | 63 Ų | 63 | 124.8 Ų | 124.8 | 44% | 0.441 | 71% | 0.705 | S | S | . | * | -155 | 143.9 | -82.9 | 64.6 | 0 | 0 | 0 | 0 | 116.6 | T828 | S735-T828 WeakPolarHBondContact CA-OG1 3.41Å; S735-T828 WeakPolarHBondContact CB-OG1 3.48Å | |||
| 736 | N | 23.8 | Very low | 22.9 | Very low | 86 Ų | 86 | 123.6 Ų | 123.6 | 46% | 0.46 | 70% | 0.701 | S | S | . | * | trans | 90.8 | 118.8 | 145.3 | -77.6 | -17.3 | 0 | 0 | 0 | 127.5 | T828 E829 | N736-T828 PolarHBondContact N-OG1 3.44Å; N736-T828 PolarHBondContact OD1-OG1 3.12Å; N736-E829 WeakPolarHBondContact CA-OE1 3.47Å; N736-E829 VanDerWaalsContact N-CD 3.28Å; N736-E829 PolarHBondContact N-OE1 3.09Å | ||
| 737 | I | 21.4 | Very low | 23 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 57% | 0.574 | 70% | 0.702 | S | S | * | * | 82.4 | 123.2 | 128 | -56 | 161.2 | 0 | 0 | 0 | 121.4 | E829 | I737-E829 PolarHBondContact N-OE2 3.36Å; I737-E829 VanDerWaalsContact N-OE2 3.07Å | |||
| 738 | F | 22.5 | Very low | 23.5 | Very low | 187 Ų | 187 | 126.9 Ų | 126.9 | 82% | 0.82 | 71% | 0.71 | S | S | * | * | 179.7 | 155.2 | 113.6 | -117.4 | -80.3 | 0 | 0 | 0 | 114.7 | |||||
| 739 | V | 23.5 | Very low | 23.6 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | trans | -128 | 133.2 | 167 | 170.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 740 | P | 23.4 | Very low | 23.4 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | trans | -134.8 | 148.2 | 140.3 | 34.8 | -22.3 | 0 | 0 | 0 | 114 | ||||
| 741 | L | 18.7 | Very low | 23.3 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 138.5 | 169.7 | -94.1 | 68.1 | 0 | 0 | 0 | 111.8 | ||
| 742 | P | 25.2 | Very low | 23.3 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 158.3 | 155.4 | 6.4 | 12.2 | 0 | 0 | 0 | 111.8 | ||
| 743 | K | 20.6 | Very low | 23.2 | Very low | 196 Ų | 196 | 134 Ų | 134 | 85% | 0.852 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 167.1 | -178.8 | -63.2 | 168.9 | 179.5 | 171.9 | 0 | 112 | ||
| 744 | S | 18.5 | Very low | 23.6 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | trans | -22.4 | 147.6 | 156.8 | 55.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 745 | V | 22.1 | Very low | 23 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | -173 | 132.1 | 121.4 | 140 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 746 | S | 21.9 | Very low | 23.2 | Very low | 84 Ų | 84 | 137.5 Ų | 137.5 | 59% | 0.587 | 73% | 0.732 | S | S | * | * | trans | 55.6 | 128 | 150.1 | 73.2 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 747 | Q | 22.9 | Very low | 23.2 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | 78.8 | 104.7 | 125 | -71.1 | 167.9 | 7.4 | 0 | 0 | 122.5 | |||||
| 748 | H | 28.7 | Very low | 23.3 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | 179.9 | 100.9 | 115 | -94.6 | -68.1 | 0 | 0 | 0 | 107.3 | |||||
| 749 | Q | 22.5 | Very low | 23.3 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | 73 | 125.6 | 79.5 | -78.8 | -169.3 | -13.3 | 0 | 0 | 116.7 | |||||
| 750 | N | 21.8 | Very low | 23.3 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 74.2 | 102.6 | 163 | -55 | -9.4 | 0 | 0 | 0 | 119.3 | ||||
| 751 | F | 24.4 | Very low | 23.4 | Very low | 187 Ų | 187 | 146 Ų | 146 | 82% | 0.82 | 75% | 0.753 | S | S | * | * | -172.4 | 117.4 | 89 | -105.7 | -78 | 0 | 0 | 0 | 113.1 | |||||
| 752 | D | 21.5 | Very low | 23.7 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | 27.1 | 117.1 | 151.8 | -55.3 | -32.1 | 0 | 0 | 0 | 124.8 | ||||
| 753 | F | 19.8 | Very low | 23.5 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | 49.6 | 155.4 | 121.7 | -72.5 | -74.4 | 0 | 0 | 0 | 123.6 | |||||
| 754 | P | 33.3 | Very low | 23.8 | Very low | 97 Ų | 97 | 144.1 Ų | 144.1 | 63% | 0.63 | 75% | 0.745 | S | S | * | * | cis | -136.5 | 161.1 | -12 | 37.7 | -19 | 0 | 0 | 0 | 117.6 | ||||
| 755 | T | 23.4 | Very low | 24.2 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | trans | 74.5 | 147 | 139 | 49 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 756 | V | 26.5 | Very low | 24.4 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | 94.6 | 82.7 | 157.7 | -156.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 757 | N | 24.6 | Very low | 24.5 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | 35.8 | 119.5 | 119.9 | -65.1 | -4.2 | 0 | 0 | 0 | 122.4 | |||||
| 758 | N | 23.2 | Very low | 25 | Very low | 134 Ų | 134 | 151.6 Ų | 151.6 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | 63.7 | 159.2 | 118.3 | -61.1 | -15.5 | 0 | 0 | 0 | 123.6 | |||||
| 759 | F | 23 | Very low | 24.9 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | trans | 78.4 | 93.4 | 162.6 | -76 | -73 | 0 | 0 | 0 | 119.7 | ||||
| 760 | R | 22.6 | Very low | 25.1 | Very low | 217 Ų | 217 | 148.9 Ų | 148.9 | 82% | 0.819 | 76% | 0.759 | S | S | * | * | trans | -34.7 | 153.2 | 130.7 | -166.7 | -177.4 | 176.6 | 148.8 | -1 | 114 | ||||
| 761 | D | 26.3 | Very low | 25.4 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | trans | 89.5 | 148.6 | 166.3 | -56.9 | -43.1 | 0 | 0 | 0 | 120 | ||||
| 762 | N | 24.7 | Very low | 25.5 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | 70.9 | 106.2 | -172.6 | -54.4 | -39.4 | 0 | 0 | 0 | 114.9 | ||||
| 763 | L | 21.4 | Very low | 25.5 | Very low | 151 Ų | 151 | 149 Ų | 149 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | 67.1 | 126.5 | 50.6 | -147.8 | 103.1 | 0 | 0 | 0 | 113.1 | |||||
| 764 | D | 25.7 | Very low | 25.7 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 22.4 | 117.1 | 165.8 | -62.2 | -40.3 | 0 | 0 | 0 | 119.7 | ||||
| 765 | N | 27.5 | Very low | 25.4 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | -172.3 | 146.9 | 127.1 | -100 | -47.8 | 0 | 0 | 0 | 116.1 | |||||
| 766 | L | 26.3 | Very low | 25.3 | Very low | 140 Ų | 140 | 146 Ų | 146 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | 44 | 116 | 163.2 | -77.9 | 77 | 0 | 0 | 0 | 119.6 | ||||
| 767 | K | 25 | Very low | 25.2 | Very low | 190 Ų | 190 | 148.4 Ų | 148.4 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | 65.1 | 103.8 | 66.3 | -66.6 | -175.1 | 178.8 | 176.9 | 0 | 115.2 | |||||
| 768 | N | 32.3 | Very low | 25 | Very low | 160 Ų | 160 | 153.7 Ų | 153.7 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -163.7 | 135.1 | 138.2 | -90.1 | -26 | 0 | 0 | 0 | 105.7 | ||||
| 769 | S | 26.5 | Very low | 25 | Very low | 89 Ų | 89 | 156.7 Ų | 156.7 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | cis | 176.9 | 137.4 | -23.2 | 34.1 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 770 | E | 28.1 | Very low | 25 | Very low | 184 Ų | 184 | 151.3 Ų | 151.3 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 61 | 96.5 | 154.7 | -60.8 | 174.4 | 179.7 | 0 | 0 | 119.9 | ||||
| 771 | M | 27.9 | Very low | 24.9 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | -159 | 124.9 | 106.8 | -98.4 | -139.8 | 166.4 | 0 | 0 | 114.1 | |||||
| 772 | I | 25.7 | Very low | 24.6 | Very low | 145 Ų | 145 | 151.5 Ų | 151.5 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | 64.4 | 90.8 | 146.8 | -52 | 179 | 0 | 0 | 0 | 118.2 | ||||
| 773 | T | 22.2 | Very low | 24.5 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -43.6 | 146.6 | 147.6 | -32.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 774 | I | 23.9 | Very low | 24.5 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | 167.1 | 148.4 | 121.3 | -86.3 | 161.4 | 0 | 0 | 0 | 112.2 | |||||
| 775 | A | 25.8 | Very low | 24.5 | Very low | 93 Ų | 93 | 150 Ų | 150 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 73.7 | 73 | 168.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 776 | A | 22.3 | Very low | 24.1 | Very low | 97 Ų | 97 | 150.8 Ų | 150.8 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -66.5 | 135.5 | 147.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 777 | K | 24.7 | Very low | 24 | Very low | 173 Ų | 173 | 149 Ų | 149 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | -172.9 | 120.4 | 121 | -103.5 | 170.4 | 178.5 | -179 | 0 | 110.4 | Y779 | K777-Y779 HydrophobicContact CD-CE2 4.14Š| |||
| 778 | R | 20.2 | Very low | 24 | Very low | 243 Ų | 243 | 145.8 Ų | 145.8 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | trans | -66.4 | 133.3 | 151.2 | -67.2 | 176.6 | 179.8 | 167 | -0.8 | 106.4 | ||||
| 779 | Y | 23.8 | Very low | 23.5 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -122.8 | 109.3 | 147 | -98.7 | -73 | 0 | 0 | 0 | 107 | K777 | K777-Y779 HydrophobicContact CD-CE2 4.14Š| ||
| 780 | S | 21.4 | Very low | 23.6 | Very low | 75 Ų | 75 | 151.1 Ų | 151.1 | 52% | 0.524 | 76% | 0.76 | S | S | . | * | trans | -64.4 | 174.8 | 147.8 | 42.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 781 | E | 21.7 | Very low | 23.3 | Very low | 158 Ų | 158 | 149.7 Ų | 149.7 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | 91.5 | 112.8 | 157.6 | -66.1 | 154.7 | -132.8 | 0 | 0 | 119.6 | ||||
| 782 | F | 20.6 | Very low | 23.3 | Very low | 191 Ų | 191 | 147.9 Ų | 147.9 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | 88.4 | 142 | 125.4 | -94.6 | -96.9 | 0 | 0 | 0 | 123.7 | |||||
| 783 | S | 20.7 | Very low | 23.3 | Very low | 88 Ų | 88 | 145.4 Ų | 145.4 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | trans | 50.4 | 115.8 | 153.9 | 47.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 784 | Q | 22.4 | Very low | 23.7 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | 56.8 | 108.4 | 78.3 | -69.1 | -177.4 | -16.8 | 0 | 0 | 113.6 | |||||
| 785 | N | 25.4 | Very low | 23.8 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | -163.5 | 135.7 | 124 | -85.9 | -24.8 | 0 | 0 | 0 | 105.7 | |||||
| 786 | Q | 19.5 | Very low | 23.8 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | 54.9 | 128.2 | 68.7 | -67.5 | -166.5 | 0.4 | 0 | 0 | 110.2 | |||||
| 787 | T | 23 | Very low | 23.9 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 63% | 0.632 | 74% | 0.744 | S | S | * | * | cis | -153.9 | -163.8 | 33.4 | 34.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 788 | D | 26.2 | Very low | 23.9 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 66% | 0.658 | 75% | 0.747 | S | S | * | * | trans | 92.3 | 82.1 | 150.7 | -50.1 | -41.8 | 0 | 0 | 0 | 117.6 | ||||
| 789 | I | 22.6 | Very low | 24.1 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 67% | 0.672 | 74% | 0.737 | S | S | * | * | 74.6 | 121.5 | 74.6 | -56.4 | 162.9 | 0 | 0 | 0 | 112 | |||||
| 790 | W | 27.3 | Very low | 24.2 | Very low | 230 Ų | 230 | 141 Ų | 141 | 87% | 0.871 | 74% | 0.738 | S | S | * | * | 179 | 130.6 | 114.9 | -99.7 | 81.1 | 0 | 0 | 0 | 110.3 | |||||
| 791 | I | 21.8 | Very low | 24.4 | Very low | 154 Ų | 154 | 143 Ų | 143 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -108.1 | 151.4 | 179.8 | -71 | 166.7 | 0 | 0 | 0 | 107.1 | ||||
| 792 | D | 28.8 | Very low | 24.4 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -146.5 | 104.3 | 159.6 | -125.1 | -28.9 | 0 | 0 | 0 | 113.8 | ||||
| 793 | S | 25.4 | Very low | 24.8 | Very low | 92 Ų | 92 | 138 Ų | 138 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | 68 | 151.9 | 126.2 | -58.7 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 794 | S | 30 | Very low | 24.9 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | 70.9 | 107.4 | -175.8 | 66.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 795 | A | 25.4 | Very low | 25.2 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | cis | 82 | 102.9 | 39.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 796 | E | 26.1 | Very low | 25.2 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | 175.6 | 127.1 | 111.4 | -93.8 | -175.3 | -173.8 | 0 | 0 | 113.9 | |||||
| 797 | N | 25.9 | Very low | 25.7 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | trans | 66.5 | 110.3 | 140 | -63.8 | -32.9 | 0 | 0 | 0 | 124.4 | ||||
| 798 | Q | 24 | Very low | 25.9 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | 87.3 | 91.6 | 130.3 | -65.7 | 179.8 | 10.1 | 0 | 0 | 121 | ||||
| 799 | S | 24.2 | Very low | 26 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | 131.5 | 147.7 | 96.2 | 71.8 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 800 | Y | 25.6 | Very low | 26.1 | Very low | 207 Ų | 207 | 138.4 Ų | 138.4 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | 69.6 | 100 | 166.8 | -72.5 | -79.5 | 0 | 0 | 0 | 122.4 | ||||
| 801 | C | 25.6 | Very low | 26 | Very low | 117 Ų | 117 | 134 Ų | 134 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 68 | 110.6 | 131.7 | -67.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 802 | V | 21.8 | Very low | 26.2 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | -85.8 | 150 | 163.5 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 803 | P | 28.5 | Very low | 25.9 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | -128 | 115.8 | 137.4 | 33.2 | -22.6 | 0 | 0 | 0 | 113.2 | ||||
| 804 | N | 24 | Very low | 25.9 | Very low | 142 Ų | 142 | 137 Ų | 137 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -1.1 | 126.9 | 157.8 | -54.1 | -19.9 | 0 | 0 | 0 | 119.4 | ||||
| 805 | I | 28.7 | Very low | 25.6 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | -130.5 | 109.9 | 148.9 | -56.6 | -179.6 | 0 | 0 | 0 | 107.4 | ||||
| 806 | P | 25.7 | Very low | 25.7 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | trans | -89 | 157.9 | 176.6 | 35.7 | -33.8 | 0 | 0 | 0 | 112.1 | ||||
| 807 | P | 28.3 | Very low | 25.8 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -112 | 97 | 166.5 | 35.4 | -22.8 | 0 | 0 | 0 | 111.9 | ||||
| 808 | N | 29.1 | Very low | 25.8 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 63% | 0.631 | 75% | 0.752 | S | S | * | * | trans | -120.9 | 128 | 169.7 | -81.9 | 43.8 | 0 | 0 | 0 | 107 | ||||
| 809 | E | 27.3 | Very low | 26.1 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | 109.8 | 120.5 | 78.6 | -82.6 | 176.1 | 152.4 | 0 | 0 | 110.7 | |||||
| 810 | V | 24.5 | Very low | 26.1 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | trans | 13.6 | 134.8 | 132.3 | -173.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 811 | D | 24.4 | Very low | 26.1 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | 55 | 108 | 156.4 | -61.6 | -15.8 | 0 | 0 | 0 | 122.2 | ||||
| 812 | Q | 27.2 | Very low | 26 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | -176.6 | 119.5 | 130.4 | -98.8 | 147 | 83 | 0 | 0 | 106.7 | ||||
| 813 | T | 23.2 | Very low | 26.2 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | 47.5 | 134.6 | 63.2 | 62.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 814 | L | 23.5 | Very low | 25.9 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 88.2 | 112.6 | 177.5 | -63.8 | 141.1 | 0 | 0 | 0 | 117.4 | ||||
| 815 | D | 25.2 | Very low | 25.9 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | 93.4 | 113.1 | 123.3 | -72.9 | 0.7 | 0 | 0 | 0 | 123.3 | |||||
| 816 | L | 26.1 | Very low | 25.7 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | 103.3 | 126.4 | 119.7 | -79.5 | 170.4 | 0 | 0 | 0 | 120.3 | |||||
| 817 | L | 28.9 | Very low | 25.6 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | 88.8 | 100 | 159.1 | -58.4 | 160.5 | 0 | 0 | 0 | 116.8 | ||||
| 818 | V | 25.5 | Very low | 25.4 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | 75.7 | 117.6 | 58 | 179 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 819 | I | 29.9 | Very low | 25.1 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | -145.1 | 149.1 | 63.6 | -71.7 | 172.8 | 0 | 0 | 0 | 113.4 | |||||
| 820 | D | 24.2 | Very low | 25.3 | Very low | 147 Ų | 147 | 126.7 Ų | 126.7 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | trans | -43.6 | 171.1 | 172.3 | -55.6 | -76.4 | 0 | 0 | 0 | 119.8 | ||||
| 821 | G | 27 | Very low | 25.4 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | trans | -176.7 | 10.1 | 166 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 822 | S | 23 | Very low | 25.7 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | trans | -101.2 | 123.8 | 178.9 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 823 | Q | 25.3 | Very low | 25.5 | Very low | 198 Ų | 198 | 125.7 Ų | 125.7 | 93% | 0.925 | 71% | 0.713 | S | S | * | * | trans | -153.7 | 148.6 | 152.2 | -110.2 | 171.9 | 34.9 | 0 | 0 | 110.3 | ||||
| 824 | A | 22.7 | Very low | 25.6 | Very low | 85 Ų | 85 | 123.3 Ų | 123.3 | 70% | 0.702 | 71% | 0.712 | S | S | * | * | trans | -121.4 | 157.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 825 | F | 24 | Very low | 25.7 | Very low | 189 Ų | 189 | 121.3 Ų | 121.3 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | trans | -163.4 | 118.1 | 152.9 | -100.8 | -66.7 | 0 | 0 | 0 | 113.9 | ||||
| 826 | N | 24.4 | Very low | 25.7 | Very low | 130 Ų | 130 | 122.3 Ų | 122.3 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | trans | 40.1 | 144.6 | 138.7 | -63.5 | -2.7 | 0 | 0 | 0 | 126.8 | ||||
| 827 | S | 23.4 | Very low | 25.7 | Very low | 57 Ų | 57 | 122.5 Ų | 122.5 | 40% | 0.399 | 72% | 0.717 | S | S | . | * | trans | 65.5 | 99.2 | 140.4 | 53.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 828 | T | 24.4 | Very low | 25.4 | Very low | 76 Ų | 76 | 119 Ų | 119 | 47% | 0.466 | 71% | 0.708 | S | S | . | * | 48.7 | 177.2 | 112.8 | 61.9 | 0 | 0 | 0 | 0 | 120.7 | P734 S735 N736 | P734-T828 CarbonylContact C-O 3.59Å; P734-T828 WeakPolarHBondContact CA-O 3.45Å; S735-T828 WeakPolarHBondContact CA-OG1 3.41Å; S735-T828 WeakPolarHBondContact CB-OG1 3.48Å; N736-T828 PolarHBondContact N-OG1 3.44Å; N736-T828 PolarHBondContact OD1-OG1 3.12Å | |||
| 829 | E | 23 | Very low | 25.6 | Very low | 99 Ų | 99 | 125 Ų | 125 | 46% | 0.463 | 72% | 0.72 | S | S | . | * | cis | -141.4 | -106 | -0.1 | -152.1 | 125.2 | -37.2 | 0 | 0 | 112.5 | P734 N736 I737 | P734-E829 PolarHBondContact O-N 3.43Å; N736-E829 WeakPolarHBondContact CA-OE1 3.47Å; N736-E829 VanDerWaalsContact N-CD 3.28Å; N736-E829 PolarHBondContact N-OE1 3.09Å; I737-E829 PolarHBondContact N-OE2 3.36Å; I737-E829 VanDerWaalsContact N-OE2 3.07Å | ||
| 830 | V | 31.1 | Very low | 25.2 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 64% | 0.642 | 72% | 0.723 | S | S | * | * | trans | -154.8 | 149.9 | -166.8 | 177.9 | 0 | 0 | 0 | 0 | 111 | V832 | V830-V832 HydrophobicContact CG1-CG2 4.41Š| ||
| 831 | P | 27.4 | Very low | 25.4 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | -125 | 147.3 | 120.8 | 3.2 | 17.7 | 0 | 0 | 0 | 110.5 | |||||
| 832 | V | 29.5 | Very low | 25.5 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 62% | 0.624 | 72% | 0.721 | S | S | * | * | cis | 133.8 | 117.1 | 10.2 | 146.8 | 0 | 0 | 0 | 0 | 105.6 | V830 | V830-V832 HydrophobicContact CG1-CG2 4.41Š| ||
| 833 | E | 23.5 | Very low | 25.5 | Very low | 192 Ų | 192 | 130.7 Ų | 130.7 | 90% | 0.897 | 72% | 0.724 | S | S | * | * | trans | 60.9 | 157.4 | 149.8 | -64.9 | 167.8 | -174 | 0 | 0 | 121.5 | ||||
| 834 | G | 25.3 | Very low | 25.3 | Very low | 70 Ų | 70 | 128.9 Ų | 128.9 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | trans | 165.5 | 46.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 835 | S | 26.6 | Very low | 25.4 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | trans | 62.7 | 134.6 | 160.2 | -70.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 836 | L | 23.7 | Very low | 25.6 | Very low | 146 Ų | 146 | 128 Ų | 128 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | 61.1 | 124.6 | 63.3 | -62.8 | 154.3 | 0 | 0 | 0 | 110.2 | |||||
| 837 | D | 26.8 | Very low | 25.7 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | cis | -156.5 | 164.1 | 46.2 | -107.1 | -48.2 | 0 | 0 | 0 | 116 | ||||
| 838 | A | 23.3 | Very low | 25.7 | Very low | 71 Ų | 71 | 131.8 Ų | 131.8 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | trans | -68.3 | 160.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 839 | Y | 29.5 | Very low | 25.6 | Very low | 241 Ų | 241 | 135.4 Ų | 135.4 | 95% | 0.945 | 76% | 0.761 | S | S | * | * | trans | -143.1 | 144.8 | 138.9 | -109.9 | -78.8 | 0 | 0 | 0 | 110.7 | ||||
| 840 | Q | 21.9 | Very low | 25.7 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -95.9 | 167 | -169.7 | -66.6 | 170.4 | -62.8 | 0 | 0 | 113.1 | ||||
| 841 | E | 28 | Very low | 25.2 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -21.6 | 154.1 | 147.7 | -80.9 | -175.8 | 167.8 | 0 | 0 | 115.5 | ||||
| 842 | P | 28.1 | Very low | 25 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | -164.8 | -174.5 | 61.9 | 47.8 | -26 | 0 | 0 | 0 | 121.1 | |||||
| 843 | V | 24.2 | Very low | 24.7 | Very low | 136 Ų | 136 | 137 Ų | 137 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | 86.8 | 125.8 | 144.4 | 161.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 844 | L | 20.9 | Very low | 24.9 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -64.8 | 157.3 | 169.7 | -60.6 | 150.2 | 0 | 0 | 0 | 113.7 | ||||
| 845 | L | 25.3 | Very low | 25 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -170.6 | 148.1 | 130.8 | -103.6 | 160.1 | 0 | 0 | 0 | 111.3 | ||||
| 846 | A | 28 | Very low | 26 | Very low | 80 Ų | 80 | 143.7 Ų | 143.7 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | trans | -86.6 | 170.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 847 | P | 26.6 | Very low | 26 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | -142.2 | 169.5 | 109 | 38.8 | -26.3 | 0 | 0 | 0 | 115.4 | |||||
| 848 | D | 22.3 | Very low | 25.9 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -73.5 | -175.5 | -178.3 | -52.6 | -85.1 | 0 | 0 | 0 | 115.3 | ||||
| 849 | N | 22.4 | Very low | 25.8 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | 118.8 | 151.3 | 118.7 | -117.4 | -16.5 | 0 | 0 | 0 | 120.2 | |||||
| 850 | V | 24.3 | Very low | 25.7 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 67% | 0.667 | 79% | 0.788 | S | S | * | * | trans | 85.5 | 93.1 | 152.2 | 174.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 851 | D | 22.4 | Very low | 25.8 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | 78.1 | 153.5 | 114.4 | -70.5 | -37.7 | 0 | 0 | 0 | 127.3 | |||||
| 852 | S | 23.4 | Very low | 25.8 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 77.9 | 102.7 | 150.9 | 67.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 853 | S | 21.9 | Very low | 26.9 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | 89.4 | 116.5 | 57.1 | 76 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 854 | K | 28.6 | Very low | 26.9 | Very low | 198 Ų | 198 | 139.1 Ų | 139.1 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -172.9 | 102.6 | 146.9 | -107.8 | 163.5 | -174.2 | 175.7 | 0 | 114.8 | ||||
| 855 | F | 27.3 | Very low | 27.1 | Very low | 204 Ų | 204 | 137.9 Ų | 137.9 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | 67 | 153.8 | 140.4 | -83.2 | -101.4 | 0 | 0 | 0 | 123.4 | ||||
| 856 | P | 47.6 | Very low | 27.1 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | -132.8 | -150.5 | -154.4 | 46.7 | -28.3 | 0 | 0 | 0 | 114 | ||||
| 857 | S | 23.3 | Very low | 26.9 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 79.1 | 140.6 | 173.3 | 77.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 858 | N | 24.8 | Very low | 26.9 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | cis | -136 | 164.9 | 15.6 | -106.1 | -36.8 | 0 | 0 | 0 | 113.9 | ||||
| 859 | L | 21.9 | Very low | 26.9 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | -71.6 | 153.1 | 176.8 | -63.3 | 105 | 0 | 0 | 0 | 113 | ||||
| 860 | N | 26.8 | Very low | 26.9 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | -159.1 | 134.3 | 126 | -103.3 | -17.5 | 0 | 0 | 0 | 110.4 | |||||
| 861 | I | 23.4 | Very low | 26.8 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -121 | 131.6 | 172.9 | -65.5 | 169.7 | 0 | 0 | 0 | 105.3 | ||||
| 862 | D | 27.7 | Very low | 26.7 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -167.8 | 146.1 | 141.7 | -102.9 | -25.8 | 0 | 0 | 0 | 112.2 | ||||
| 863 | P | 52.2 | Low | 26.7 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -104.7 | 169.9 | 173.9 | 37.5 | -28.9 | 0 | 0 | 0 | 112.9 | ||||
| 864 | L | 25 | Very low | 26.6 | Very low | 155 Ų | 155 | 143 Ų | 143 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | 149.6 | 143 | 135.3 | -77.2 | 165.8 | 0 | 0 | 0 | 115.1 | ||||
| 865 | L | 25 | Very low | 26.3 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | trans | 67.3 | 121.4 | 148.3 | -96.1 | 76.1 | 0 | 0 | 0 | 125.4 | ||||
| 866 | N | 24.3 | Very low | 26.6 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | 74.9 | 103.5 | 127.8 | -74.1 | 6.5 | 0 | 0 | 0 | 124.4 | |||||
| 867 | T | 24.7 | Very low | 25.4 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | 27.9 | 116.4 | 117.1 | 61.5 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 868 | Q | 26.3 | Very low | 25.4 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | -176.7 | 157.4 | 102.7 | -100.2 | -175.5 | 2.7 | 0 | 0 | 112.4 | |||||
| 869 | S | 21.7 | Very low | 25.6 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -94.9 | 141.4 | 173.6 | 52 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 870 | F | 23.4 | Very low | 26.1 | Very low | 208 Ų | 208 | 143.7 Ų | 143.7 | 91% | 0.912 | 77% | 0.774 | S | S | * | * | trans | -167.6 | 173.2 | 136.3 | -113.3 | -74.2 | 0 | 0 | 0 | 112.2 | ||||
| 871 | M | 20.7 | Very low | 25.9 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | -96.2 | 170.1 | -171.5 | -51.8 | -173.9 | 90.1 | 0 | 0 | 113.5 | ||||
| 872 | C | 21.2 | Very low | 26.2 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | 77.7 | 122.8 | 147.1 | -73.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 873 | A | 22.3 | Very low | 26 | Very low | 92 Ų | 92 | 140.7 Ų | 140.7 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | 86.7 | 127.3 | 123.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 874 | V | 21.6 | Very low | 24.8 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | 80 | 144.3 | 151.1 | 179 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 875 | E | 21 | Very low | 24.7 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -30.5 | 158.7 | 161.2 | -69.7 | 177.6 | 165.7 | 0 | 0 | 114.9 | ||||
| 876 | P | 34.8 | Very low | 24.5 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | cis | -156.4 | -164.5 | 46.3 | 41.7 | -18 | 0 | 0 | 0 | 118.3 | ||||
| 877 | L | 21.3 | Very low | 24.6 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | trans | 93.4 | 128.9 | 143.6 | -115.6 | 74.7 | 0 | 0 | 0 | 121 | ||||
| 878 | E | 23.4 | Very low | 24.5 | Very low | 160 Ų | 160 | 144 Ų | 144 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 46.7 | 122.5 | 137.5 | -76 | 163.9 | -152 | 0 | 0 | 121.6 | ||||
| 879 | K | 28.6 | Very low | 24.3 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | -165.9 | 165.3 | 108.6 | -106.5 | 163.8 | -171.4 | 177.7 | 0 | 114.8 | |||||
| 880 | D | 32.1 | Very low | 24.2 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | 88.8 | 112 | 164.8 | -57 | -20.2 | 0 | 0 | 0 | 119.7 | ||||
| 881 | L | 22.9 | Very low | 24.2 | Very low | 150 Ų | 150 | 138 Ų | 138 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -79.2 | 159.1 | 178.7 | -63.8 | 63.8 | 0 | 0 | 0 | 110.6 | ||||
| 882 | T | 29.5 | Very low | 24.2 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | 177.4 | 156.5 | 104.9 | 30.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 883 | T | 24 | Very low | 24.5 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | trans | -92.6 | 163.8 | -170.4 | 48.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 884 | N | 28.1 | Very low | 24.4 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | 169.5 | 101.6 | 119.9 | -80.9 | -9.8 | 0 | 0 | 0 | 114.7 | |||||
| 885 | I | 23.1 | Very low | 24.4 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | 28.8 | 129.3 | 127.1 | -57.3 | 173.2 | 0 | 0 | 0 | 120.8 | |||||
| 886 | C | 20.7 | Very low | 24.8 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 69% | 0.689 | 76% | 0.759 | S | S | * | * | trans | 1.9 | 143.5 | 146 | -46.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 887 | Y | 25.7 | Very low | 24.1 | Very low | 231 Ų | 231 | 142.3 Ų | 142.3 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | -172.7 | -176.1 | 96 | -109.2 | -78.9 | 0 | 0 | 0 | 112.1 | |||||
| 888 | A | 22.4 | Very low | 24.3 | Very low | 79 Ų | 79 | 142.4 Ų | 142.4 | 65% | 0.653 | 77% | 0.768 | S | S | * | * | trans | -120.6 | 164.5 | -158 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 889 | S | 21.8 | Very low | 24.3 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | 61.4 | 132.3 | 145.5 | 56.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 890 | N | 20 | Very low | 24 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 53.8 | 120.3 | 145.3 | -57.6 | -12.4 | 0 | 0 | 0 | 118.9 | ||||
| 891 | T | 22.2 | Very low | 23.5 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | -179.5 | 157 | 75.3 | 30.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 892 | Y | 21.1 | Very low | 23.6 | Very low | 195 Ų | 195 | 132.2 Ų | 132.2 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | trans | 19.4 | 119 | 149.4 | -75 | -91.3 | 0 | 0 | 0 | 122.4 | T894 | Y892-T894 HydrophobicContact CD1-CG2 3.91Å; Y892-T894 HydrophobicContact CE1-CG2 4.5Å | ||
| 893 | T | 27.9 | Very low | 23.3 | Very low | 141 Ų | 141 | 130.7 Ų | 130.7 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | trans | -144.1 | 116 | 130.2 | 35.9 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 894 | T | 20.7 | Very low | 23.3 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 58% | 0.583 | 74% | 0.744 | S | S | * | * | cis | 62.3 | 109.3 | 37.8 | 51 | 0 | 0 | 0 | 0 | 117 | Y892 | Y892-T894 HydrophobicContact CD1-CG2 3.91Å; Y892-T894 HydrophobicContact CE1-CG2 4.5Å | ||
| 895 | N | 22.2 | Very low | 23.1 | Very low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | 60.6 | 124 | 146.6 | -62 | -8.9 | 0 | 0 | 0 | 120.5 | ||||
| 896 | I | 27.9 | Very low | 23.1 | Very low | 157 Ų | 157 | 127 Ų | 127 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | trans | -177.3 | 110.3 | 131.6 | -91.4 | 150.1 | 0 | 0 | 0 | 103.6 | ||||
| 897 | N | 20.3 | Very low | 23.2 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | 57.7 | 83.3 | 53.3 | -84.6 | 1.9 | 0 | 0 | 0 | 115.2 | |||||
| 898 | T | 26.2 | Very low | 23 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -162.2 | 114 | 139 | 18.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 899 | A | 23.6 | Very low | 23 | Very low | 79 Ų | 79 | 124.9 Ų | 124.9 | 65% | 0.653 | 72% | 0.721 | S | S | * | * | 87.9 | 107.4 | 79 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 900 | V | 21.6 | Very low | 23.1 | Very low | 136 Ų | 136 | 125.2 Ų | 125.2 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | 73.8 | 123.7 | 86.2 | 161.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 901 | S | 22.7 | Very low | 23.3 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | cis | -175.6 | -165.4 | 2.2 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 902 | V | 23.9 | Very low | 23.5 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | 88.9 | 132.1 | 158.2 | -171 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 903 | V | 23.3 | Very low | 23.6 | Very low | 109 Ų | 109 | 120.8 Ų | 120.8 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | cis | -174.7 | 148.7 | -33.8 | 106.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 904 | N | 23.8 | Very low | 23.9 | Very low | 125 Ų | 125 | 120 Ų | 120 | 67% | 0.668 | 71% | 0.71 | S | S | * | * | trans | 63 | 159.6 | 162.6 | -70.3 | 22.8 | 0 | 0 | 0 | 118 | ||||
| 905 | D | 23.2 | Very low | 24.2 | Very low | 121 Ų | 121 | 121 Ų | 121 | 65% | 0.647 | 72% | 0.716 | S | S | * | * | cis | -140.4 | 152.6 | -8.5 | -126.2 | -40.1 | 0 | 0 | 0 | 113.5 | ||||
| 906 | S | 23.4 | Very low | 24.4 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 57% | 0.566 | 72% | 0.723 | S | S | * | * | trans | -31.6 | 145.7 | 156.1 | 56.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 907 | N | 23.6 | Very low | 24.3 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 65% | 0.652 | 73% | 0.726 | S | S | * | * | 174.9 | 124.7 | 124.8 | -89.5 | -41.6 | 0 | 0 | 0 | 109.9 | |||||
| 908 | Q | 22.2 | Very low | 25.2 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | 60.8 | 141.7 | 95.7 | -64.1 | -176 | 37.4 | 0 | 0 | 114.3 | |||||
| 909 | A | 22.6 | Very low | 25.6 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 61% | 0.612 | 73% | 0.725 | S | S | * | * | cis | -174 | 164.2 | -15.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 910 | S | 22.7 | Very low | 25.7 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | 68.8 | 167.9 | 149.5 | 89.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 911 | N | 24 | Very low | 26.5 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | cis | -157 | 160.6 | -4.7 | -135.2 | -7 | 0 | 0 | 0 | 113.2 | ||||
| 912 | T | 27.1 | Very low | 26.8 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 64% | 0.644 | 74% | 0.737 | S | S | * | * | trans | 52.3 | 111.2 | 145.8 | 53 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 913 | N | 23.4 | Very low | 26.8 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | 20.3 | 144.7 | 102.8 | -67 | -35 | 0 | 0 | 0 | 119.7 | V915 | N913-V915 HydrophobicContact CB-CG2 4.39Š| |||
| 914 | P | 32.7 | Very low | 26.9 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 81% | 0.805 | 74% | 0.744 | S | S | * | * | -128.9 | 123.6 | 99.8 | 33.7 | -25.5 | 0 | 0 | 0 | 112.1 | |||||
| 915 | V | 27.7 | Very low | 27 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | 71.4 | 101.3 | 78.1 | 176.7 | 0 | 0 | 0 | 0 | 114.3 | N913 | N913-V915 HydrophobicContact CB-CG2 4.39Š| |||
| 916 | Y | 27.7 | Very low | 27 | Very low | 234 Ų | 234 | 136 Ų | 136 | 92% | 0.918 | 76% | 0.756 | S | S | * | * | -150.4 | 138.3 | 129.3 | -108.1 | -79.8 | 0 | 0 | 0 | 110 | |||||
| 917 | K | 25 | Very low | 27.1 | Very low | 197 Ų | 197 | 139.6 Ų | 139.6 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -145 | 176 | 176.6 | -91.8 | -176.1 | 175.9 | 176.6 | 0 | 106.1 | ||||
| 918 | P | 39.3 | Very low | 27.1 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | cis | -125.3 | -155.9 | 4.7 | 41.1 | -20.5 | 0 | 0 | 0 | 111.2 | ||||
| 919 | P | 34.1 | Very low | 27.1 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | cis | -133.7 | -170.6 | 2.6 | 41.3 | -19.5 | 0 | 0 | 0 | 118.7 | ||||
| 920 | R | 25.9 | Very low | 27.2 | Very low | 237 Ų | 237 | 141.4 Ų | 141.4 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | trans | -81.5 | -166.5 | -168 | -50.2 | 171.1 | 167 | 177 | -3.5 | 114.9 | ||||
| 921 | P | 37.9 | Very low | 27.2 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | cis | -139.2 | -164.5 | -8.3 | 30.4 | -4.7 | 0 | 0 | 0 | 116.9 | ||||
| 922 | S | 29 | Very low | 27.1 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | 98.3 | 106.6 | 163.5 | 86.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 923 | E | 24.7 | Very low | 26.9 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | 75.9 | 135.7 | 80.8 | -84 | -167.8 | -138.5 | 0 | 0 | 113 | |||||
| 924 | R | 25.6 | Very low | 26.8 | Very low | 215 Ų | 215 | 142.5 Ų | 142.5 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | cis | -168.3 | 152 | 8.1 | -167.1 | 172.9 | -176.2 | 154.3 | -8.1 | 110.7 | ||||
| 925 | A | 25.8 | Very low | 26.3 | Very low | 101 Ų | 101 | 146 Ų | 146 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | 53.4 | 144.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 926 | G | 23.4 | Very low | 25.9 | Very low | 71 Ų | 71 | 146.4 Ų | 146.4 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | cis | 107.6 | 140.4 | 31.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 927 | L | 24.1 | Very low | 25.7 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | cis | -166.1 | 169.6 | 2.5 | -117.5 | 161 | 0 | 0 | 0 | 108.5 | ||||
| 928 | N | 24.6 | Very low | 25.5 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 69.2 | 133.5 | 168.9 | -51.9 | -23.2 | 0 | 0 | 0 | 116.7 | ||||
| 929 | V | 21.6 | Very low | 24.6 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | cis | 72 | 95.3 | 20.4 | -167.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 930 | H | 24.9 | Very low | 24.1 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | -174.8 | 134 | 123.4 | -104.8 | -64 | 0 | 0 | 0 | 115.3 | |||||
| 931 | K | 23.6 | Very low | 24.2 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 40.8 | 119.2 | 131.8 | -78.2 | -179.1 | -173.9 | 176.1 | 0 | 122.6 | ||||
| 932 | S | 21.5 | Very low | 23.4 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | 24.7 | 121.1 | 124 | 61.5 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 933 | C | 22.4 | Very low | 23.1 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | -174.9 | 154.9 | 104.7 | -105.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 934 | S | 20.6 | Very low | 23 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -84.8 | 140.3 | 171.8 | 47.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 935 | F | 23.1 | Very low | 23.1 | Very low | 197 Ų | 197 | 133.9 Ų | 133.9 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -149.6 | 167 | 155.9 | -122.7 | -88.2 | 0 | 0 | 0 | 113 | ||||
| 936 | E | 20.3 | Very low | 23.1 | Very low | 126 Ų | 126 | 136 Ų | 136 | 59% | 0.589 | 75% | 0.746 | S | S | * | * | trans | -78.7 | 173 | -157.1 | -48.9 | 172.8 | 127.7 | 0 | 0 | 117.9 | ||||
| 937 | K | 22.2 | Very low | 23.1 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | trans | 79.3 | 143 | 133.3 | -88.2 | 167.4 | -169.8 | 149.5 | 0 | 123.3 | ||||
| 938 | E | 20.6 | Very low | 23.2 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | trans | 67.1 | 108.8 | 135.8 | -74 | 158.4 | -156.8 | 0 | 0 | 121.7 | ||||
| 939 | T | 21.9 | Very low | 24.1 | Very low | 125 Ų | 125 | 138 Ų | 138 | 77% | 0.767 | 75% | 0.745 | S | S | * | * | 47.8 | 154.5 | 123.7 | 54.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 940 | S | 21.8 | Very low | 24.1 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | 65 | 98 | 162.1 | 46.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 941 | D | 27.8 | Very low | 23.9 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 95% | 0.947 | 75% | 0.753 | S | S | * | * | trans | -99.1 | 143.9 | 137 | -85.2 | -45.4 | 0 | 0 | 0 | 109.3 | ||||
| 942 | I | 22.9 | Very low | 23.7 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 68% | 0.677 | 75% | 0.748 | S | S | * | * | trans | -130.7 | 139 | -163.7 | -90.4 | 173.7 | 0 | 0 | 0 | 107.5 | ||||
| 943 | I | 21.7 | Very low | 23.9 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 32.5 | 123.7 | 151 | -41.7 | 167.6 | 0 | 0 | 0 | 117.9 | ||||
| 944 | E | 22 | Very low | 24 | Very low | 178 Ų | 178 | 138.8 Ų | 138.8 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | 163.1 | 123.5 | 117.7 | -87.7 | -171.2 | 173.7 | 0 | 0 | 113 | |||||
| 945 | S | 27.6 | Very low | 24.3 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | 171.5 | 147.1 | 120.3 | 43.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 946 | N | 25.6 | Very low | 24.3 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | 81.9 | 82.3 | 158.7 | -56.1 | -15.2 | 0 | 0 | 0 | 120.8 | ||||
| 947 | S | 25.4 | Very low | 24.7 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | 45.1 | 113.8 | 115.2 | 62 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 948 | F | 24.8 | Very low | 24.7 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | trans | -35.8 | -179.8 | 147.3 | -74.6 | -76.3 | 0 | 0 | 0 | 118.9 | ||||
| 949 | P | 43.3 | Very low | 24.9 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | cis | -138.3 | -159.8 | -23.2 | 28.6 | -3.7 | 0 | 0 | 0 | 114.2 | ||||
| 950 | I | 22.3 | Very low | 25.3 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | 85.3 | 113 | 159.5 | -56.8 | 164.1 | 0 | 0 | 0 | 114.5 | ||||
| 951 | L | 20.6 | Very low | 25.7 | Very low | 153 Ų | 153 | 140 Ų | 140 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | 76.9 | 110.7 | 62.4 | -143.9 | 89.1 | 0 | 0 | 0 | 114.8 | |||||
| 952 | S | 20.3 | Very low | 25.7 | Very low | 92 Ų | 92 | 137.5 Ų | 137.5 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | trans | 22.8 | 116.1 | 158.5 | 60 | 0 | 0 | 0 | 0 | 121 | ||||
| 953 | T | 24.3 | Very low | 25.9 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | 172.9 | 140 | 117.6 | 29.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 954 | Q | 24.5 | Very low | 26.1 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 56.3 | 154.2 | 142.6 | -59.4 | -178.7 | -5.6 | 0 | 0 | 124.4 | ||||
| 955 | Q | 26.9 | Very low | 26.4 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | 75.9 | 147 | 160.8 | -53.8 | -162.8 | 1.4 | 0 | 0 | 118.8 | ||||
| 956 | L | 22.8 | Very low | 26.3 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 67% | 0.665 | 78% | 0.783 | S | S | * | * | cis | -172.6 | 156.5 | -36.2 | -122.8 | 167.6 | 0 | 0 | 0 | 108.2 | ||||
| 957 | Y | 29.2 | Very low | 26.2 | Very low | 218 Ų | 218 | 143.6 Ų | 143.6 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | 65 | 148.3 | 177.5 | -55.6 | -82 | 0 | 0 | 0 | 117.4 | ||||
| 958 | G | 23.5 | Very low | 26.5 | Very low | 68 Ų | 68 | 146.4 Ų | 146.4 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | cis | 162.1 | 132.8 | -10 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 959 | C | 23.3 | Very low | 26.4 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 97% | 0.966 | 78% | 0.784 | S | S | * | * | trans | 65.8 | 132.5 | 164.8 | -157.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 960 | G | 31.1 | Very low | 25.4 | Very low | 68 Ų | 68 | 145.5 Ų | 145.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -179.8 | 18.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 961 | L | 30.1 | Very low | 25.6 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | 73.3 | 124.6 | 173.9 | -61.4 | 166.9 | 0 | 0 | 0 | 119.7 | ||||
| 962 | C | 28.3 | Very low | 26.2 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 80.5 | 102.9 | 150.8 | -62.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 963 | N | 26.3 | Very low | 26.4 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -61.9 | 177.4 | 172 | -77.1 | -13.5 | 0 | 0 | 0 | 116 | ||||
| 964 | M | 26.9 | Very low | 26.6 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | 89.2 | 68.1 | 171.8 | -53.8 | -98.2 | 51.3 | 0 | 0 | 112.2 | ||||
| 965 | V | 26.9 | Very low | 26.5 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | 66.2 | 88.2 | 83.4 | -177 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 966 | Y | 25.2 | Very low | 26.4 | Very low | 234 Ų | 234 | 146.2 Ų | 146.2 | 92% | 0.918 | 80% | 0.797 | S | S | * | * | trans | -83.5 | 114.5 | 136.8 | -101.1 | -97 | 0 | 0 | 0 | 106.5 | ||||
| 967 | E | 25.3 | Very low | 26.4 | Very low | 174 Ų | 174 | 150.9 Ų | 150.9 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -175.6 | 102.7 | 148 | -110.1 | 171.3 | -154.5 | 0 | 0 | 110.2 | ||||
| 968 | D | 30.1 | Very low | 26.3 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -125.3 | 106.7 | 139.5 | -83.2 | -48.6 | 0 | 0 | 0 | 103.1 | ||||
| 969 | A | 23.2 | Very low | 26.3 | Very low | 87 Ų | 87 | 149 Ų | 149 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | 75.9 | 135.3 | 68.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 970 | E | 23.2 | Very low | 26.5 | Very low | 192 Ų | 192 | 151 Ų | 151 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -58 | 138.3 | -172.7 | -59.8 | 168.1 | 105.6 | 0 | 0 | 113.6 | ||||
| 971 | S | 26.9 | Very low | 26.2 | Very low | 111 Ų | 111 | 154.5 Ų | 154.5 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -179.4 | 108.4 | 133.3 | 34.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 972 | L | 31.8 | Very low | 25.8 | Very low | 175 Ų | 175 | 154 Ų | 154 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | 175.8 | 108.2 | 125.2 | -94.5 | 161.9 | 0 | 0 | 0 | 110.6 | |||||
| 973 | L | 25.6 | Very low | 25.7 | Very low | 159 Ų | 159 | 154.5 Ų | 154.5 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -48.2 | 136.1 | 164.1 | -66.6 | 133.1 | 0 | 0 | 0 | 111.4 | ||||
| 974 | Q | 27.6 | Very low | 25.5 | Very low | 166 Ų | 166 | 152 Ų | 152 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 170.6 | 125.7 | 100.4 | -88.4 | -161.7 | -13.9 | 0 | 0 | 113.7 | |||||
| 975 | H | 23.6 | Very low | 25.4 | Very low | 148 Ų | 148 | 153.7 Ų | 153.7 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | 60.5 | 127.3 | 136.5 | -82.8 | -72.2 | 0 | 0 | 0 | 124.4 | ||||
| 976 | N | 24 | Very low | 25.3 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 61% | 0.61 | 80% | 0.795 | S | S | * | * | trans | 86.2 | 108.4 | 137.1 | -64.8 | -19.8 | 0 | 0 | 0 | 119.6 | ||||
| 977 | R | 21.6 | Very low | 25.4 | Very low | 226 Ų | 226 | 152 Ų | 152 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | 54.8 | 128.6 | 115.2 | -61.7 | 173.6 | 175.5 | -177 | -1.2 | 115.7 | |||||
| 978 | I | 28.2 | Very low | 25.4 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | cis | -144.1 | 137.2 | 39.5 | -71.6 | 174.2 | 0 | 0 | 0 | 110.6 | ||||
| 979 | S | 22.5 | Very low | 25.5 | Very low | 94 Ų | 94 | 146.3 Ų | 146.3 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | -72.2 | 145.5 | 165.2 | 50.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 980 | H | 28.1 | Very low | 25.7 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | -154.3 | 141.8 | 136.1 | -101.9 | -65 | 0 | 0 | 0 | 112.7 | ||||
| 981 | N | 24.4 | Very low | 26.1 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -79.7 | 167.3 | -171.2 | -71.9 | -36 | 0 | 0 | 0 | 114.3 | V983 | N981-V983 PolarHBondContact O-N 3.33Š| ||
| 982 | N | 22.3 | Very low | 25.9 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -7.8 | 119.6 | 142.2 | -62.6 | -26.9 | 0 | 0 | 0 | 115.8 | ||||
| 983 | V | 26.2 | Very low | 25.9 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | -136.9 | 107.6 | 142.4 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | N981 | N981-V983 PolarHBondContact O-N 3.33Š| ||
| 984 | S | 22.5 | Very low | 26.1 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -76.9 | 122.8 | 152.4 | 52.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 985 | K | 25 | Very low | 25.9 | Very low | 195 Ų | 195 | 141.1 Ų | 141.1 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -175.5 | 150.9 | 139.8 | -104.5 | 160 | -173.7 | -179.3 | 0 | 113.4 | ||||
| 986 | S | 24.4 | Very low | 26.1 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -54 | 137.8 | 172 | 48.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 987 | F | 26.1 | Very low | 26.2 | Very low | 206 Ų | 206 | 145 Ų | 145 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | trans | -133.4 | 122 | 146.1 | -100.9 | -83.4 | 0 | 0 | 0 | 110.3 | C989 | F987-C989 PolarHBondContact O-N 3.38Š| ||
| 988 | S | 26.4 | Very low | 26.4 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -70.1 | 119.2 | 168 | 47 | 0 | 0 | 0 | 0 | 109.9 | S990 | S988-S990 PolarHBondContact O-N 3.14Š| ||
| 989 | C | 32.2 | Very low | 26.7 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | -89.2 | 98.2 | 169.3 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | F987 S991 | F987-C989 PolarHBondContact O-N 3.38Å; C989-S991 PolarHBondContact O-N 3.4Å | ||
| 990 | S | 27.9 | Very low | 26.9 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -74.1 | 68 | 167.5 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | S988 | S988-S990 PolarHBondContact O-N 3.14Š| ||
| 991 | S | 30.4 | Very low | 26.7 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | -150.4 | 64.2 | 174.2 | -72.4 | 0 | 0 | 0 | 0 | 112.1 | C989 P993 | C989-S991 PolarHBondContact O-N 3.4Å; S991-P993 VanDerWaalsContact O-CD 3.3Å; S991-P993 WeakPolarHBondContact O-CD 3.37Å | ||
| 992 | C | 23.5 | Very low | 26.7 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 86% | 0.858 | 79% | 0.79 | S | S | * | * | trans | -85.6 | 113.6 | 157.8 | -79.9 | 0 | 0 | 0 | 0 | 109.9 | R994 | C992-R994 PolarHBondContact O-N 2.8Å; C992-R994 VanDerWaalsContact O-N 3.14Å | ||
| 993 | P | 31.3 | Very low | 26.9 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -75.3 | 99.1 | 160.7 | 30 | -30.5 | 0 | 0 | 0 | 109.7 | S991 | S991-P993 VanDerWaalsContact O-CD 3.3Å; S991-P993 WeakPolarHBondContact O-CD 3.37Å | ||
| 994 | R | 29.1 | Very low | 26.6 | Very low | 222 Ų | 222 | 136.8 Ų | 136.8 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | 25.5 | 112.2 | 153.1 | -74.4 | 176.8 | 168.3 | 158.1 | -4.1 | 119.3 | C992 | C992-R994 PolarHBondContact O-N 2.8Å; C992-R994 VanDerWaalsContact O-N 3.14Å | ||
| 995 | S | 23.6 | Very low | 26.7 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | 9.5 | 123.7 | 121.7 | 58.1 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 996 | F | 27.6 | Very low | 26.4 | Very low | 215 Ų | 215 | 136.1 Ų | 136.1 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | trans | -138.5 | 109.2 | 140 | -101.2 | -77.4 | 0 | 0 | 0 | 110.6 | ||||
| 997 | T | 26.7 | Very low | 26.5 | Very low | 128 Ų | 128 | 143 Ų | 143 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -102.2 | 105.4 | 170.9 | 44.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 998 | N | 26.5 | Very low | 26.3 | Very low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -171.4 | 142.5 | 138.3 | -119.6 | -25.2 | 0 | 0 | 0 | 113.2 | ||||
| 999 | P | 35.1 | Very low | 26.2 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -113.3 | 106 | 174.1 | 36.1 | -23.2 | 0 | 0 | 0 | 112.6 | ||||
| 1000 | T | 26.3 | Very low | 26 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | trans | -140.4 | 110.6 | 174.6 | -51.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1001 | L | 23.9 | Very low | 26.3 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | trans | 41.2 | 153.1 | 140.4 | -61.9 | 171.3 | 0 | 0 | 0 | 123.7 | ||||
| 1002 | L | 24.6 | Very low | 25.9 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 104.6 | 131.8 | 146.3 | -72.6 | 138.3 | 0 | 0 | 0 | 120.6 | ||||
| 1003 | L | 24.9 | Very low | 26.2 | Very low | 141 Ų | 141 | 152.5 Ų | 152.5 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | 64.1 | 101.8 | 148 | -69 | 160.8 | 0 | 0 | 0 | 120 | ||||
| 1004 | S | 20.3 | Very low | 25.8 | Very low | 97 Ų | 97 | 154.1 Ų | 154.1 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -17.9 | 127 | 134.1 | 51.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1005 | H | 24.9 | Very low | 25.7 | Very low | 184 Ų | 184 | 147 Ų | 147 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | trans | -142.4 | 135 | 135.9 | -111.2 | -80.3 | 0 | 0 | 0 | 111.9 | ||||
| 1006 | S | 19.1 | Very low | 25.7 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -74.3 | 128.1 | 170.9 | 50 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1007 | R | 26.2 | Very low | 25.8 | Very low | 247 Ų | 247 | 147.7 Ų | 147.7 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | trans | -127.2 | 141.6 | 152.3 | -74.5 | -167.2 | -174.8 | -174.4 | 3.9 | 111.5 | ||||
| 1008 | I | 21.6 | Very low | 25.8 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -103.3 | 128.4 | 173.6 | -62 | 164.4 | 0 | 0 | 0 | 104.6 | ||||
| 1009 | H | 25.7 | Very low | 26.3 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 73% | 0.731 | 78% | 0.776 | S | S | * | * | 175.9 | 148.2 | 126.2 | -102.6 | -79 | 0 | 0 | 0 | 113.8 | |||||
| 1010 | N | 26 | Very low | 26 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 55.1 | 139 | 152.7 | -65.2 | 4.8 | 0 | 0 | 0 | 123.2 | ||||
| 1011 | P | 35.5 | Very low | 26.2 | Very low | 109 Ų | 109 | 148 Ų | 148 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | trans | -99.2 | 142.7 | 161.9 | 37.5 | -28 | 0 | 0 | 0 | 111.6 | ||||
| 1012 | E | 22.7 | Very low | 26.1 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -175.9 | 174.6 | 146.9 | -107.6 | 150.7 | -152.1 | 0 | 0 | 109.4 | ||||
| 1013 | Y | 28.4 | Very low | 26.3 | Very low | 229 Ų | 229 | 145.2 Ų | 145.2 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | 80 | 110.2 | -174.1 | -74.3 | -86 | 0 | 0 | 0 | 118.7 | ||||
| 1014 | D | 22.4 | Very low | 26.3 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -59.3 | 158.5 | 157.8 | -68.1 | -69.6 | 0 | 0 | 0 | 112.4 | ||||
| 1015 | G | 27.5 | Very low | 26.3 | Very low | 71 Ų | 71 | 146.3 Ų | 146.3 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | -166.8 | 80.8 | 180 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1017 | G1015-L1017 PolarHBondContact O-N 3.25Š| ||
| 1016 | I | 24.7 | Very low | 26.3 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -64.6 | 113 | 171.9 | -64.5 | 166.2 | 0 | 0 | 0 | 107.9 | ||||
| 1017 | L | 29.5 | Very low | 26.6 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 118.5 | 164.6 | -97.7 | 167.8 | 0 | 0 | 0 | 109.3 | G1015 | G1015-L1017 PolarHBondContact O-N 3.25Š|
| 1018 | N | 26.9 | Very low | 26.5 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 165.7 | -176.5 | -81.2 | -40 | 0 | 0 | 0 | 113.2 | ||
| 1019 | C | 35.5 | Very low | 26.5 | Very low | 93 Ų | 93 | 145.2 Ų | 145.2 | 63% | 0.628 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 156.3 | 173.7 | -149.4 | 0 | 0 | 0 | 0 | 112.2 | L1021 | C1019-L1021 PolarHBondContact SG-N 3.07Š|
| 1020 | P | 29.6 | Very low | 26.3 | Very low | 115 Ų | 115 | 146.2 Ų | 146.2 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | -155.2 | 87.1 | 90.2 | 37.5 | -16.3 | 0 | 0 | 0 | 114.9 | |||||
| 1021 | L | 31.2 | Very low | 26.2 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | -148.2 | 62 | 160 | -83.3 | -171.2 | 0 | 0 | 0 | 112 | C1019 | C1019-L1021 PolarHBondContact SG-N 3.07Š| ||
| 1022 | C | 20.6 | Very low | 25.5 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -118.5 | 111.5 | 158.1 | -76.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1023 | P | 29.6 | Very low | 25.5 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77 | 145.7 | 151.9 | -4.4 | 22.9 | 0 | 0 | 0 | 109.3 | ||
| 1024 | M | 23.8 | Very low | 25.3 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 82% | 0.823 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70 | 156.5 | -170.3 | -76.1 | -86.3 | -80.6 | 0 | 0 | 114.6 | ||
| 1025 | S | 21 | Very low | 25.2 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 141.6 | 155.3 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1026 | I | 23.9 | Very low | 25.3 | Very low | 145 Ų | 145 | 147 Ų | 147 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -163.6 | 156.2 | 149 | -105.2 | 151.5 | 0 | 0 | 0 | 110.1 | ||||
| 1027 | F | 26.1 | Very low | 25.1 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | 82.1 | 136 | 177.7 | -79.3 | -63.3 | 0 | 0 | 0 | 121.9 | ||||
| 1028 | T | 24.4 | Very low | 25.1 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -118.7 | 179.1 | -160.3 | 39.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1029 | K | 21.6 | Very low | 24.8 | Very low | 193 Ų | 193 | 147.4 Ų | 147.4 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -21.7 | 136.7 | 165.3 | -55.3 | 167.7 | 177.5 | 175.3 | 0 | 115.3 | ||||
| 1030 | Q | 22.2 | Very low | 24.3 | Very low | 180 Ų | 180 | 149.2 Ų | 149.2 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | -170.1 | 158.7 | 102 | -116.7 | 177.2 | -14.8 | 0 | 0 | 115.7 | |||||
| 1031 | S | 22.2 | Very low | 23.9 | Very low | 114 Ų | 114 | 151.7 Ų | 151.7 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 48.9 | 149.4 | 150.7 | 57.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1032 | A | 21.5 | Very low | 23.6 | Very low | 93 Ų | 93 | 148.9 Ų | 148.9 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -109.4 | 157.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1033 | L | 23.1 | Very low | 23.7 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | trans | -153.6 | 159.9 | 161.7 | -143.8 | 86.2 | 0 | 0 | 0 | 112.7 | ||||
| 1034 | S | 23.5 | Very low | 23.8 | Very low | 102 Ų | 102 | 150.3 Ų | 150.3 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | 65.6 | 109.6 | 173.6 | 67.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1035 | R | 20.9 | Very low | 23.7 | Very low | 235 Ų | 235 | 150 Ų | 150 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | 69.7 | 106.3 | 61.9 | -67.7 | -177.5 | 177.8 | 164.4 | -0.5 | 113.3 | |||||
| 1036 | H | 29.9 | Very low | 24 | Very low | 199 Ų | 199 | 151.6 Ų | 151.6 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -136.8 | 124.2 | 145.1 | -109.2 | -60 | 0 | 0 | 0 | 109.8 | ||||
| 1037 | I | 20.7 | Very low | 24 | Very low | 129 Ų | 129 | 153.4 Ų | 153.4 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | trans | -90.5 | 135 | 177.4 | -65.3 | 160.1 | 0 | 0 | 0 | 108 | Y1039 | I1037-Y1039 HydrophobicContact CG2-CD2 3.99Å; I1037-Y1039 HydrophobicContact CG2-CE2 4.35Å | ||
| 1038 | I | 28.8 | Very low | 24.2 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -137.1 | 122.1 | 150.8 | -65.2 | -172.8 | 0 | 0 | 0 | 108.1 | ||||
| 1039 | Y | 20.8 | Very low | 24.2 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 71% | 0.71 | 81% | 0.81 | S | S | * | * | trans | -69.1 | 149.5 | 172.8 | -94.3 | -103.7 | 0 | 0 | 0 | 112.4 | I1037 | I1037-Y1039 HydrophobicContact CG2-CD2 3.99Å; I1037-Y1039 HydrophobicContact CG2-CE2 4.35Å | ||
| 1040 | C | 24.6 | Very low | 24.4 | Very low | 131 Ų | 131 | 153.2 Ų | 153.2 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | trans | -156.8 | 127.4 | 144.9 | -94.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1041 | H | 21.4 | Very low | 24.4 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -77.8 | 155.2 | -178.3 | -96.9 | -104.5 | 0 | 0 | 0 | 113.3 | ||||
| 1042 | P | 25.6 | Very low | 24.6 | Very low | 110 Ų | 110 | 148.7 Ų | 148.7 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | trans | -99.3 | 152 | 169.2 | 38.1 | -32 | 0 | 0 | 0 | 112.7 | ||||
| 1043 | L | 22.3 | Very low | 24.9 | Very low | 171 Ų | 171 | 152.1 Ų | 152.1 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -174.6 | 160.6 | 158.6 | -91.1 | -177 | 0 | 0 | 0 | 107.2 | ||||
| 1044 | P | 32.7 | Very low | 25 | Very low | 96 Ų | 96 | 149 Ų | 149 | 62% | 0.623 | 80% | 0.796 | S | S | * | * | -135.9 | 176.1 | -53.8 | 36.5 | -18.1 | 0 | 0 | 0 | 114.4 | |||||
| 1045 | L | 21.4 | Very low | 25.1 | Very low | 161 Ų | 161 | 148.1 Ų | 148.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 43.9 | 118.6 | 145.6 | -67.1 | 161.3 | 0 | 0 | 0 | 121.6 | ||||
| 1046 | S | 27.4 | Very low | 25.3 | Very low | 127 Ų | 127 | 145.3 Ų | 145.3 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | -167.9 | 146.9 | 125.4 | 21.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1047 | E | 22.4 | Very low | 25.1 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -95.5 | 176 | -166.7 | -98.6 | -171.6 | 163.6 | 0 | 0 | 114.2 | ||||
| 1048 | P | 30.1 | Very low | 25.4 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -92 | 153.3 | -150.3 | 35.8 | -36.2 | 0 | 0 | 0 | 115.1 | ||
| 1049 | F | 26.1 | Very low | 25.3 | Very low | 213 Ų | 213 | 150.9 Ų | 150.9 | 93% | 0.934 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 137.5 | 163.1 | -96.1 | -85.9 | 0 | 0 | 0 | 112.6 | ||
| 1050 | M | 24.5 | Very low | 25.6 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 151.5 | -170.1 | -79.7 | -71.5 | -174.6 | 0 | 0 | 115.6 | ||
| 1051 | C | 22.5 | Very low | 25.8 | Very low | 97 Ų | 97 | 150.7 Ų | 150.7 | 66% | 0.655 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 126.6 | 157.3 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1052 | S | 26.9 | Very low | 26.3 | Very low | 102 Ų | 102 | 154 Ų | 154 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | trans | -136.9 | 144.6 | 157.6 | 58.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1053 | N | 28.1 | Very low | 26.6 | Very low | 166 Ų | 166 | 153.6 Ų | 153.6 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | 69.3 | 61.2 | -177.4 | -63.9 | -25.5 | 0 | 0 | 0 | 117.9 | ||||
| 1054 | C | 25.3 | Very low | 27 | Very low | 102 Ų | 102 | 150.3 Ų | 150.3 | 69% | 0.689 | 80% | 0.798 | S | S | * | * | trans | -130.9 | 47.4 | 155.1 | 71.9 | 0 | 0 | 0 | 0 | 114.3 | M1056 | C1054-M1056 PolarHBondContact O-N 3Š| ||
| 1055 | G | 24.1 | Very low | 27.2 | Very low | 83 Ų | 83 | 153.4 Ų | 153.4 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -83.4 | 101.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1056 | M | 25.3 | Very low | 27.9 | Very low | 177 Ų | 177 | 149.8 Ų | 149.8 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -89.1 | 117.8 | 166.6 | -74.4 | -147.2 | -54.5 | 0 | 0 | 111.4 | C1054 | C1054-M1056 PolarHBondContact O-N 3Š| ||
| 1057 | R | 25.4 | Very low | 28.1 | Very low | 240 Ų | 240 | 150 Ų | 150 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | -142.9 | 73.7 | 164.5 | -119.8 | 179.3 | -179.3 | 173.8 | -0.2 | 112.5 | ||||
| 1058 | F | 28.1 | Very low | 28.8 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -143 | 54.7 | 169.5 | -100.5 | -72.9 | 0 | 0 | 0 | 111.8 | ||||
| 1059 | M | 26.1 | Very low | 29 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | trans | -120.9 | 3.4 | 178 | -79.5 | -153.9 | 67.2 | 0 | 0 | 116.3 | ||||
| 1060 | M | 26.6 | Very low | 29.4 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -103.4 | 32 | 178.9 | -73.3 | -158.6 | -178 | 0 | 0 | 115.8 | ||
| 1061 | L | 28.7 | Very low | 29.8 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -121.6 | 28.1 | 171.7 | -75.2 | 175.4 | 0 | 0 | 0 | 114.1 | ||
| 1062 | R | 32.3 | Very low | 30.3 | Very low | 234 Ų | 234 | 138.1 Ų | 138.1 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -114.6 | -9.9 | 173.5 | -125.6 | 177.6 | -172.2 | 148.8 | 5.7 | 116 | ||
| 1063 | S | 31.3 | Very low | 30.6 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -89.5 | -41.7 | 170 | -124 | 0 | 0 | 0 | 0 | 112.6 | K1065 S1066 | S1063-K1065 PolarHBondContact O-N 3.21Å; S1063-S1066 PolarHBondContact O-N 3.13Å |
| 1064 | L | 32.3 | Very low | 30.5 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 54% | 0.539 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -55.9 | -28.2 | 178.9 | -103.4 | 86.8 | 0 | 0 | 0 | 114 | S1066 H1067 V1068 | L1064-S1066 PolarHBondContact O-N 3.27Å; L1064-H1067 PolarHBondContact O-N 3.39Å; L1064-V1068 PolarHBondContact O-N 3.09Å |
| 1065 | K | 36.4 | Very low | 30.5 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 70% | 0.696 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -68 | -14.6 | 177.5 | -169.3 | 156.5 | -172.6 | 155.8 | 0 | 114 | S1063 | S1063-K1065 PolarHBondContact O-N 3.21Å |
| 1066 | S | 35.3 | Very low | 30.7 | Very low | 86 Ų | 86 | 140.1 Ų | 140.1 | 60% | 0.601 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -87.9 | -20.3 | 168.8 | -159.5 | 0 | 0 | 0 | 0 | 112.9 | S1063 L1064 | S1063-S1066 PolarHBondContact O-N 3.13Å; L1064-S1066 PolarHBondContact O-N 3.27Å |
| 1067 | H | 31.2 | Very low | 30.7 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 61% | 0.611 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -92.7 | -44.7 | -175.2 | -137.9 | 60.9 | 0 | 0 | 0 | 111.4 | L1064 N1069 N1070 I1071 | L1064-H1067 PolarHBondContact O-N 3.39Å; H1067-N1069 PolarHBondContact O-N 3.39Å; H1067-N1070 PolarHBondContact O-N 2.99Å; H1067-I1071 PolarHBondContact O-N 2.84Å |
| 1068 | V | 37.2 | Very low | 30.6 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 44% | 0.442 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -62.7 | -27.2 | 175.2 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | L1064 N1070 L1072 | L1064-V1068 PolarHBondContact O-N 3.09Å; V1068-N1070 VanDerWaalsContact C-N 3.28Å; V1068-N1070 PolarHBondContact O-N 2.76Å; V1068-L1072 HydrophobicContact CG1-CD1 4.24Å; V1068-L1072 PolarHBondContact O-N 2.82Å |
| 1069 | N | 35.1 | Very low | 30.5 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -73.6 | -14.5 | 174.6 | -100.4 | 37.7 | 0 | 0 | 0 | 114.1 | H1067 | H1067-N1069 PolarHBondContact O-N 3.39Å |
| 1070 | N | 34.1 | Very low | 30.5 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 60% | 0.604 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -93.3 | -33 | 174.1 | -70.8 | 4.9 | 0 | 0 | 0 | 111.2 | H1067 V1068 L1072 N1073 | H1067-N1070 PolarHBondContact O-N 2.99Å; V1068-N1070 VanDerWaalsContact C-N 3.28Å; V1068-N1070 PolarHBondContact O-N 2.76Å; N1070-L1072 VanDerWaalsContact C-N 3.33Å; N1070-L1072 PolarHBondContact O-N 2.89Å; N1070-N1073 PolarHBondContact O-N 3.4Å |
| 1071 | I | 33.5 | Very low | 30.2 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 60% | 0.595 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -69 | -30.6 | 179.3 | -63.5 | 170 | 0 | 0 | 0 | 111.7 | H1067 N1073 G1074 | H1067-I1071 PolarHBondContact O-N 2.84Å; I1071-N1073 PolarHBondContact O-N 3.46Å; I1071-G1074 PolarHBondContact O-N 3.42Å |
| 1072 | L | 32.1 | Very low | 30 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 69% | 0.686 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 9.2 | 178.7 | -72.2 | 170.6 | 0 | 0 | 0 | 115.4 | V1068 N1070 | V1068-L1072 HydrophobicContact CG1-CD1 4.24Å; V1068-L1072 PolarHBondContact O-N 2.82Å; N1070-L1072 VanDerWaalsContact C-N 3.33Å; N1070-L1072 PolarHBondContact O-N 2.89Å |
| 1073 | N | 34.1 | Very low | 29.7 | Very low | 146 Ų | 146 | 122.9 Ų | 122.9 | 78% | 0.781 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 5 | 168.5 | -73.7 | -7 | 0 | 0 | 0 | 112.7 | N1070 I1071 | N1070-N1073 PolarHBondContact O-N 3.4Å; I1071-N1073 PolarHBondContact O-N 3.46Å |
| 1074 | G | 25.1 | Very low | 29.3 | Very low | 65 Ų | 65 | 124.6 Ų | 124.6 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -102.7 | 13.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116 | I1071 | I1071-G1074 PolarHBondContact O-N 3.42Š|
| 1075 | V | 27 | Very low | 28.7 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 74% | 0.739 | 71% | 0.713 | S | S | * | * | trans | -127.2 | 84.8 | -179 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1076 | D | 27.6 | Very low | 28.1 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 87% | 0.872 | 72% | 0.718 | S | S | * | * | trans | -174.6 | 51.3 | 157 | -91.7 | -22.4 | 0 | 0 | 0 | 109.1 | ||||
| 1077 | I | 25.3 | Very low | 27.7 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | trans | -137 | 77.3 | 167.4 | -51.9 | 179.1 | 0 | 0 | 0 | 108.9 | ||||
| 1078 | C | 22.6 | Very low | 27.1 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | trans | -171.7 | 155.7 | 158.5 | -101.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 1079 | V | 25.7 | Very low | 26.4 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 87% | 0.873 | 76% | 0.756 | S | S | * | * | trans | 70.6 | 111.7 | -167.1 | -166.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1080 | S | 27.3 | Very low | 26 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | cis | -153.3 | 143.2 | 8.1 | 41.5 | 0 | 0 | 0 | 0 | 113.1 | S1082 | S1080-S1082 PolarHBondContact O-N 3.09Š| ||
| 1081 | K | 21 | Very low | 25.5 | Very low | 212 Ų | 212 | 138.5 Ų | 138.5 | 92% | 0.922 | 77% | 0.769 | S | S | * | * | trans | -51.6 | 131 | 152.2 | -74 | 175.4 | 169.3 | -179.7 | 0 | 109.8 | ||||
| 1082 | S | 23.5 | Very low | 25 | Very low | 98 Ų | 98 | 141 Ų | 141 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | 179.8 | 149.7 | 134.6 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | S1080 | S1080-S1082 PolarHBondContact O-N 3.09Š| ||
| 1083 | T | 25.2 | Very low | 24.7 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 71.4 | 101.6 | 164.5 | 59.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1084 | L | 23.5 | Very low | 24.4 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | trans | 67.3 | 117.1 | 145.6 | -79.1 | 77.3 | 0 | 0 | 0 | 117.3 | ||||
| 1085 | E | 20 | Very low | 24.2 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | 54.9 | 95.8 | 51.4 | -55.5 | -178.1 | 163.6 | 0 | 0 | 113.2 | |||||
| 1086 | Q | 24.3 | Very low | 24.1 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | 173.1 | 154 | 119.6 | -92.6 | 171.8 | 14.2 | 0 | 0 | 110.5 | |||||
| 1087 | Q | 25.6 | Very low | 23.9 | Very low | 189 Ų | 189 | 144.6 Ų | 144.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | 75.9 | 66.7 | 174 | -59.4 | -177.7 | -7.4 | 0 | 0 | 116 | ||||
| 1088 | E | 19.9 | Very low | 24 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -50.6 | 160.7 | 140.9 | -56.5 | 166.3 | 121.8 | 0 | 0 | 112.4 | ||||
| 1089 | S | 22.6 | Very low | 24 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 60.3 | 113.4 | 162.6 | 75.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1090 | T | 25.7 | Very low | 24 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | 168.2 | 152 | 84.5 | 37 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 1091 | N | 24.7 | Very low | 23.8 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | cis | -136.9 | 132.3 | 6.8 | -83.7 | -50.9 | 0 | 0 | 0 | 110 | ||||
| 1092 | N | 22 | Very low | 23.9 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | trans | -73.6 | 118.6 | 136.3 | -81 | -23.3 | 0 | 0 | 0 | 106.3 | ||||
| 1093 | M | 25.2 | Very low | 23.9 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -160 | 137.3 | 153.8 | -122.8 | -166.4 | 152.5 | 0 | 0 | 113.3 | ||||
| 1094 | I | 28.4 | Very low | 23.7 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | trans | 76.2 | 88.3 | 158 | -55.1 | 164.2 | 0 | 0 | 0 | 115.1 | ||||
| 1095 | N | 21.5 | Very low | 23.7 | Very low | 99 Ų | 99 | 142 Ų | 142 | 53% | 0.529 | 75% | 0.748 | S | S | . | * | trans | -47.8 | 135.7 | 140.1 | -56.4 | -37.2 | 0 | 0 | 0 | 110.3 | C1508 | N1095-C1508 PolarHBondContact ND2-SG 3.4Å; N1095-C1508 PolarHBondContact OD1-SG 3.39Å | ||
| 1096 | N | 24.2 | Very low | 23.9 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | -177.7 | 139.8 | 125.2 | -94.2 | -12.5 | 0 | 0 | 0 | 110.4 | |||||
| 1097 | E | 23.2 | Very low | 23.9 | Very low | 167 Ų | 167 | 141 Ų | 141 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | trans | 50.9 | 120.6 | 158.6 | -54.9 | -174.1 | 167.7 | 0 | 0 | 118.9 | ||||
| 1098 | L | 28.3 | Very low | 23.9 | Very low | 136 Ų | 136 | 138 Ų | 138 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | -172.5 | 120.8 | 96.5 | -100.8 | 162 | 0 | 0 | 0 | 114.7 | N1100 | L1098-N1100 PolarHBondContact O-N 3.42Š| |||
| 1099 | R | 22.9 | Very low | 24.3 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 57% | 0.566 | 73% | 0.731 | S | S | * | * | trans | -73.6 | 115.3 | 155.1 | -81.4 | -178.1 | 179 | -179.5 | 2.1 | 111.1 | I1511 Y1512 | R1099-I1511 HydrophobicContact CB-CG2 4.32Å; R1099-I1511 HydrophobicContact CG-CB 4.33Å; R1099-I1511 HydrophobicContact CG-CD1 3.69Å; R1099-I1511 HydrophobicContact CG-CG1 3.61Å; R1099-I1511 HydrophobicContact CG-CG2 3.62Å; R1099-Y1512 WeakPolarHBondContact CA-OH 3.32Å; R1099-Y1512 WeakPolarHBondContact CB-OH 3.41Å | ||
| 1100 | N | 24.2 | Very low | 24.4 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | trans | 111.9 | 134.3 | 153.7 | -67.1 | -74 | 0 | 0 | 0 | 113.6 | L1098 Y1512 | L1098-N1100 PolarHBondContact O-N 3.42Å; N1100-Y1512 WeakPolarHBondContact CA-OH 3.43Å; N1100-Y1512 PolarHBondContact N-OH 3.42Å; N1100-Y1512 PolarHBondContact ND2-OH 3.31Å; N1100-Y1512 PolarHBondContact OD1-OH 2.83Å | ||
| 1101 | G | 24.4 | Very low | 24.5 | Very low | 73 Ų | 73 | 143 Ų | 143 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | 156.4 | 94.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1102 | K | 22.2 | Very low | 24.7 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | trans | -67.9 | 129.9 | 154.3 | -60.2 | 162 | -176.7 | 165.9 | 0 | 107.1 | ||||
| 1103 | N | 23.5 | Very low | 25.2 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | 175.3 | 125.4 | 129.4 | -89.4 | -19 | 0 | 0 | 0 | 115.6 | |||||
| 1104 | T | 22.2 | Very low | 25.6 | Very low | 117 Ų | 117 | 147 Ų | 147 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | 32.5 | 115.2 | 137.8 | 61.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1105 | S | 23.3 | Very low | 25.8 | Very low | 105 Ų | 105 | 151.4 Ų | 151.4 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | 99.5 | 134 | 119.4 | 82.2 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1106 | K | 23.6 | Very low | 26.3 | Very low | 185 Ų | 185 | 153.5 Ų | 153.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 79.9 | 126.4 | 143.1 | -79.8 | 175.7 | 178.3 | 176.5 | 0 | 122.4 | ||||
| 1107 | L | 25.1 | Very low | 26.9 | Very low | 134 Ų | 134 | 151.9 Ų | 151.9 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | 94.1 | 127.2 | 136 | -103.3 | 74.9 | 0 | 0 | 0 | 121.6 | ||||
| 1108 | N | 24.5 | Very low | 27.5 | Very low | 126 Ų | 126 | 151.3 Ų | 151.3 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | trans | 56.1 | 131.9 | 139.5 | -62.9 | -2.3 | 0 | 0 | 0 | 119.9 | ||||
| 1109 | N | 28.8 | Very low | 27.6 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | -161.8 | 145.2 | 51.5 | -115.9 | -33.3 | 0 | 0 | 0 | 114.2 | |||||
| 1110 | T | 24.2 | Very low | 28.2 | Very low | 133 Ų | 133 | 151.8 Ų | 151.8 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | -108.4 | 114.7 | 165.6 | 45.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1111 | R | 27.5 | Very low | 28.9 | Very low | 228 Ų | 228 | 148.3 Ų | 148.3 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -171 | 101.5 | 161.4 | -103 | 165.1 | -165.4 | -168.2 | 4 | 109.3 | ||||
| 1112 | N | 28.9 | Very low | 29.5 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | 171.1 | 35.3 | 151 | -88.2 | -10.1 | 0 | 0 | 0 | 115.5 | ||||
| 1113 | L | 33.5 | Very low | 30.1 | Very low | 177 Ų | 177 | 147.4 Ų | 147.4 | 93% | 0.927 | 75% | 0.747 | S | S | * | * | trans | -123.1 | 80.8 | 164.1 | -88.2 | 92.4 | 0 | 0 | 0 | 110.8 | ||||
| 1114 | K | 32.5 | Very low | 31 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | trans | -143.8 | 10.5 | 178.5 | -104.9 | -167.3 | 178.4 | -170.1 | 0 | 117 | ||||
| 1115 | R | 33.2 | Very low | 31.8 | Very low | 231 Ų | 231 | 140.2 Ų | 140.2 | 87% | 0.872 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -116.4 | -17.9 | 179.4 | -86.5 | -176.3 | 171.6 | 162.3 | -2.5 | 117.5 | T1117 | R1115-T1117 PolarHBondContact O-N 3.43Š|
| 1116 | N | 32 | Very low | 32.6 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 13.6 | -174.3 | -67.1 | 16.3 | 0 | 0 | 0 | 115.4 | ||
| 1117 | T | 37.9 | Very low | 33.7 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 64% | 0.644 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -12.1 | -177.6 | 44.7 | 0 | 0 | 0 | 0 | 115.3 | R1115 | R1115-T1117 PolarHBondContact O-N 3.43Š|
| 1118 | H | 35.3 | Very low | 34.7 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 72% | 0.718 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -93.4 | -13.3 | -172.9 | -87.4 | -71.7 | 0 | 0 | 0 | 116.1 | S1121 | H1118-S1121 PolarHBondContact O-OG 3.11Š|
| 1119 | Q | 30 | Very low | 35.7 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 77% | 0.771 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -90.5 | -22.3 | 177.9 | -72.6 | 177.8 | -19.3 | 0 | 0 | 113.3 | S1121 | Q1119-S1121 VanDerWaalsContact C-N 3.33Å; Q1119-S1121 PolarHBondContact O-N 3.03Å |
| 1120 | I | 36.3 | Very low | 36.6 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 68% | 0.677 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.2 | -24 | -176.5 | -60.5 | 173.9 | 0 | 0 | 0 | 112.2 | ||
| 1121 | S | 38.7 | Very low | 37.3 | Very low | 56 Ų | 56 | 127.1 Ų | 127.1 | 39% | 0.392 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66 | -39.5 | 179.5 | 49 | 0 | 0 | 0 | 0 | 113.1 | H1118 Q1119 S1124 | H1118-S1121 PolarHBondContact O-OG 3.11Å; Q1119-S1121 VanDerWaalsContact C-N 3.33Å; Q1119-S1121 PolarHBondContact O-N 3.03Å; S1121-S1124 WeakPolarHBondContact O-CB 3.3Å; S1121-S1124 PolarHBondContact O-N 3.15Å; S1121-S1124 PolarHBondContact O-OG 2.41Å |
| 1122 | N | 35.8 | Very low | 38.2 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 59% | 0.594 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -81.4 | -22.8 | -166.5 | -64.9 | 13.4 | 0 | 0 | 0 | 113.4 | S1124 S1125 | N1122-S1124 VanDerWaalsContact C-N 3.26Å; N1122-S1125 PolarHBondContact O-OG 3.28Å |
| 1123 | L | 34.8 | Very low | 38.8 | Very low | 140 Ų | 140 | 118.4 Ų | 118.4 | 73% | 0.733 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.9 | -23.9 | 168.4 | -87.5 | 85.7 | 0 | 0 | 0 | 112.3 | ||
| 1124 | S | 42.5 | Very low | 38.8 | Very low | 53 Ų | 53 | 115.8 Ų | 115.8 | 37% | 0.371 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -76.3 | -28.3 | -174.7 | 76.6 | 0 | 0 | 0 | 0 | 114 | S1121 N1122 V1128 | S1121-S1124 WeakPolarHBondContact O-CB 3.3Å; S1121-S1124 PolarHBondContact O-N 3.15Å; S1121-S1124 PolarHBondContact O-OG 2.41Å; N1122-S1124 VanDerWaalsContact C-N 3.26Å; S1124-V1128 WeakPolarHBondContact O-CG2 3.37Å |
| 1125 | S | 39.7 | Very low | 39 | Very low | 56 Ų | 56 | 114.8 Ų | 114.8 | 39% | 0.392 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.1 | -51.4 | 177.2 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | N1122 L1127 V1128 D1129 | N1122-S1125 PolarHBondContact O-OG 3.28Å; S1125-L1127 VanDerWaalsContact C-N 3.26Å; S1125-L1127 PolarHBondContact O-N 3.31Å; S1125-V1128 WeakPolarHBondContact O-CB 3.46Å; S1125-V1128 PolarHBondContact O-N 2.59Å; S1125-D1129 PolarHBondContact O-N 3.41Å |
| 1126 | N | 39.9 | Very low | 39.5 | Very low | 109 Ų | 109 | 107.1 Ų | 107.1 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.9 | -31.5 | -171 | -61.5 | 5.9 | 0 | 0 | 0 | 112.2 | V1128 E1130 | N1126-V1128 VanDerWaalsContact C-N 3.35Å; N1126-E1130 PolarHBondContact O-N 3.36Å |
| 1127 | L | 46.4 | Very low | 39.7 | Very low | 110 Ų | 110 | 104 Ų | 104 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.9 | -30.7 | 176.1 | -155 | 88.2 | 0 | 0 | 0 | 112.7 | S1125 I1131 | S1125-L1127 VanDerWaalsContact C-N 3.26Å; S1125-L1127 PolarHBondContact O-N 3.31Å; L1127-I1131 HydrophobicContact CD2-CD1 4.32Å; L1127-I1131 HydrophobicContact CG-CD1 4.27Å; L1127-I1131 WeakPolarHBondContact O-CD1 3.35Å; L1127-I1131 VanDerWaalsContact O-CG1 3.26Å; L1127-I1131 WeakPolarHBondContact O-CG1 3.21Å; L1127-I1131 PolarHBondContact O-N 3.38Å |
| 1128 | V | 47.5 | Very low | 40.1 | Very low | 68 Ų | 68 | 105.6 Ų | 105.6 | 41% | 0.412 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.4 | -42.2 | 178.5 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | S1124 S1125 N1126 I1131 A1132 V1155 | S1124-V1128 WeakPolarHBondContact O-CG2 3.37Å; S1125-V1128 WeakPolarHBondContact O-CB 3.46Å; S1125-V1128 PolarHBondContact O-N 2.59Å; N1126-V1128 VanDerWaalsContact C-N 3.35Å; V1128-I1131 PolarHBondContact O-N 2.78Å; V1128-A1132 WeakPolarHBondContact O-CB 3.38Å; V1128-A1132 PolarHBondContact O-N 3.44Å; V1128-V1155 HydrophobicContact CG2-CG1 4.33Å |
| 1129 | D | 44.3 | Very low | 40.2 | Very low | 97 Ų | 97 | 107.1 Ų | 107.1 | 52% | 0.519 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.1 | -37.4 | -179.5 | -68.2 | -28.8 | 0 | 0 | 0 | 112.7 | S1125 A1132 K1133 | S1125-D1129 PolarHBondContact O-N 3.41Å; D1129-A1132 PolarHBondContact O-N 2.81Å; D1129-K1133 WeakPolarHBondContact O-CG 3.47Å; D1129-K1133 PolarHBondContact O-N 2.77Å |
| 1130 | E | 47.4 | Very low | 41.7 | Very low | 113 Ų | 113 | 101.6 Ų | 101.6 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.3 | -40.3 | 173.5 | -75.4 | -57.3 | 122.1 | 0 | 0 | 112.6 | N1126 A1132 K1133 | N1126-E1130 PolarHBondContact O-N 3.36Å; E1130-A1132 VanDerWaalsContact C-N 3.25Å; E1130-A1132 PolarHBondContact O-N 3.1Å; E1130-K1133 PolarHBondContact O-N 2.98Å; E1130-K1133 IonicContact OE1-NZ 2.65Å; E1130-K1133 PolarHBondContact OE1-NZ 3.18Å |
| 1131 | I | 40 | Very low | 42.8 | Very low | 59 Ų | 59 | 97.5 Ų | 97.5 | 30% | 0.303 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.4 | -24.7 | 177.4 | -67.7 | 170 | 0 | 0 | 0 | 112 | L1127 V1128 R1152 | L1127-I1131 HydrophobicContact CD2-CD1 4.32Å; L1127-I1131 HydrophobicContact CG-CD1 4.27Å; L1127-I1131 WeakPolarHBondContact O-CD1 3.35Å; L1127-I1131 VanDerWaalsContact O-CG1 3.26Å; L1127-I1131 WeakPolarHBondContact O-CG1 3.21Å; L1127-I1131 PolarHBondContact O-N 3.38Å; V1128-I1131 PolarHBondContact O-N 2.78Å; I1131-R1152 HydrophobicContact CG2-CG 4.24Å; I1131-R1152 PolarHBondContact O-NH2 2.92Å |
| 1132 | A | 45.1 | Very low | 43.8 | Very low | 69 Ų | 69 | 102.1 Ų | 102.1 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.4 | -32.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | V1128 D1129 E1130 L1134 | V1128-A1132 WeakPolarHBondContact O-CB 3.38Å; V1128-A1132 PolarHBondContact O-N 3.44Å; D1129-A1132 PolarHBondContact O-N 2.81Å; E1130-A1132 VanDerWaalsContact C-N 3.25Å; E1130-A1132 PolarHBondContact O-N 3.1Å; A1132-L1134 VanDerWaalsContact C-N 3.27Å; A1132-L1134 PolarHBondContact O-N 3.39Å |
| 1133 | K | 42.6 | Very low | 45.4 | Very low | 140 Ų | 140 | 100.5 Ų | 100.5 | 61% | 0.609 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.4 | -19 | -179.5 | -67.4 | 169.8 | -170.5 | 173.1 | 0 | 114 | D1129 E1130 Q1135 | D1129-K1133 WeakPolarHBondContact O-CG 3.47Å; D1129-K1133 PolarHBondContact O-N 2.77Å; E1130-K1133 PolarHBondContact O-N 2.98Å; E1130-K1133 IonicContact OE1-NZ 2.65Å; E1130-K1133 PolarHBondContact OE1-NZ 3.18Å; K1133-Q1135 PolarHBondContact O-N 3Å |
| 1134 | L | 33.5 | Very low | 46.6 | Very low | 122 Ų | 122 | 97.9 Ų | 97.9 | 64% | 0.639 | 54% | 0.536 | S | S | * | . | trans | -75.7 | 93.3 | -179.6 | -66.3 | 173.3 | 0 | 0 | 0 | 112.3 | A1132 R1152 | A1132-L1134 VanDerWaalsContact C-N 3.27Å; A1132-L1134 PolarHBondContact O-N 3.39Å; L1134-R1152 PolarHBondContact O-NH2 3.49Å | ||
| 1135 | Q | 36.7 | Very low | 47.8 | Very low | 175 Ų | 175 | 99.3 Ų | 99.3 | 82% | 0.818 | 54% | 0.535 | S | S | * | . | trans | -73.7 | 125.6 | 164.1 | -78.8 | -75.2 | -21.6 | 0 | 0 | 110.3 | K1133 S1137 | K1133-Q1135 PolarHBondContact O-N 3Å; Q1135-S1137 PolarHBondContact O-N 3.4Å | ||
| 1136 | P | 43.6 | Very low | 49.1 | Very low | 71 Ų | 71 | 105 Ų | 105 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | trans | -77.8 | 113.1 | -174 | 29.9 | -33.6 | 0 | 0 | 0 | 112 | L1140 | P1136-L1140 HydrophobicContact CB-CD1 4.47Š| ||
| 1137 | S | 36.5 | Very low | 50.6 | Low | 78 Ų | 78 | 105.5 Ų | 105.5 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | trans | -60.6 | 147.5 | 173.1 | 58.8 | 0 | 0 | 0 | 0 | 112 | Q1135 H1139 | Q1135-S1137 PolarHBondContact O-N 3.4Å; S1137-H1139 PolarHBondContact O-N 3.19Å; S1137-H1139 VanDerWaalsContact O-N 3.08Å | ||
| 1138 | N | 45.5 | Very low | 51.8 | Low | 139 Ų | 139 | 103.6 Ų | 103.6 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -14.2 | -164.7 | -89.5 | -37 | 0 | 0 | 0 | 115.3 | L1140 K1145 | N1138-L1140 PolarHBondContact O-N 3Å; N1138-K1145 PolarHBondContact O-NZ 2.83Å |
| 1139 | H | 37.5 | Very low | 52.8 | Low | 186 Ų | 186 | 106.3 Ų | 106.3 | 86% | 0.861 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -3.9 | -174.2 | -60.3 | -74.9 | 0 | 0 | 0 | 115.2 | S1137 | S1137-H1139 PolarHBondContact O-N 3.19Å; S1137-H1139 VanDerWaalsContact O-N 3.08Å |
| 1140 | L | 60.9 | Low | 53.6 | Low | 49 Ų | 49 | 102.9 Ų | 102.9 | 26% | 0.257 | 53% | 0.532 | S | S | . | . | trans | -71.8 | 132.8 | 176.9 | -73.2 | 157.3 | 0 | 0 | 0 | 112.6 | P1136 N1138 E1144 K1145 I1148 | P1136-L1140 HydrophobicContact CB-CD1 4.47Å; N1138-L1140 PolarHBondContact O-N 3Å; L1140-E1144 HydrophobicContact CB-CB 4.41Å; L1140-E1144 HydrophobicContact CD2-CB 3.88Å; L1140-E1144 HydrophobicContact CD2-CG 4.38Å; L1140-K1145 HydrophobicContact CB-CG 4.1Å; L1140-K1145 WeakPolarHBondContact O-CE 3.3Å; L1140-K1145 PolarHBondContact O-NZ 2.95Å; L1140-I1148 HydrophobicContact CD1-CD1 4.11Å | ||
| 1141 | S | 59.5 | Low | 54.2 | Low | 46 Ų | 46 | 99.8 Ų | 99.8 | 32% | 0.322 | 53% | 0.527 | S | S | . | . | trans | -65.2 | 161 | 177.7 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | S1143 E1144 K1145 | S1141-S1143 PolarHBondContact O-N 3.22Å; S1141-S1143 PolarHBondContact OG-OG 3.03Å; S1141-E1144 WeakPolarHBondContact CA-OE2 3.48Å; S1141-E1144 WeakPolarHBondContact CB-OE2 3.31Å; S1141-E1144 PolarHBondContact N-OE2 3.33Å; S1141-E1144 PolarHBondContact O-N 3.43Å; S1141-E1144 VanDerWaalsContact O-N 3.1Å; S1141-E1144 WeakPolarHBondContact OG-CG 3.47Å; S1141-E1144 PolarHBondContact OG-N 2.79Å; S1141-E1144 PolarHBondContact OG-OE2 3.3Å; S1141-K1145 PolarHBondContact O-N 3.42Å | ||
| 1142 | L | 60.9 | Low | 55 | Low | 153 Ų | 153 | 101.2 Ų | 101.2 | 80% | 0.801 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -28.1 | -179.6 | -160.1 | 73.5 | 0 | 0 | 0 | 112.7 | Y1146 | L1142-Y1146 WeakPolarHBondContact O-CB 3.35Å; L1142-Y1146 PolarHBondContact O-N 2.92Å |
| 1143 | S | 68 | Low | 55.5 | Low | 78 Ų | 78 | 102.4 Ų | 102.4 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.8 | -45.9 | 172.6 | 16.5 | 0 | 0 | 0 | 0 | 112.4 | S1141 Y1146 L1147 | S1141-S1143 PolarHBondContact O-N 3.22Å; S1141-S1143 PolarHBondContact OG-OG 3.03Å; S1143-Y1146 WeakPolarHBondContact O-CB 3.44Å; S1143-Y1146 PolarHBondContact O-N 3.09Å; S1143-L1147 WeakPolarHBondContact O-CG 3.33Å; S1143-L1147 PolarHBondContact O-N 3.17Å |
| 1144 | E | 61.1 | Low | 55.8 | Low | 85 Ų | 85 | 104.4 Ų | 104.4 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.2 | -42.4 | -178.6 | -68 | 152.4 | 146.1 | 0 | 0 | 110.8 | L1140 S1141 Y1146 L1147 I1148 | L1140-E1144 HydrophobicContact CB-CB 4.41Å; L1140-E1144 HydrophobicContact CD2-CB 3.88Å; L1140-E1144 HydrophobicContact CD2-CG 4.38Å; S1141-E1144 WeakPolarHBondContact CA-OE2 3.48Å; S1141-E1144 WeakPolarHBondContact CB-OE2 3.31Å; S1141-E1144 PolarHBondContact N-OE2 3.33Å; S1141-E1144 PolarHBondContact O-N 3.43Å; S1141-E1144 VanDerWaalsContact O-N 3.1Å; S1141-E1144 WeakPolarHBondContact OG-CG 3.47Å; S1141-E1144 PolarHBondContact OG-N 2.79Å; S1141-E1144 PolarHBondContact OG-OE2 3.3Å; E1144-Y1146 PolarHBondContact O-N 3.21Å; E1144-L1147 PolarHBondContact O-N 2.98Å; E1144-I1148 WeakPolarHBondContact O-CG1 3.24Å; E1144-I1148 PolarHBondContact O-N 2.97Å |
| 1145 | K | 67.5 | Low | 56.5 | Low | 83 Ų | 83 | 100.8 Ų | 100.8 | 36% | 0.361 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.7 | -34.4 | 171.6 | -69.5 | 177.8 | 177.9 | 167.4 | 0 | 112.1 | N1138 L1140 S1141 K1149 | N1138-K1145 PolarHBondContact O-NZ 2.83Å; L1140-K1145 HydrophobicContact CB-CG 4.1Å; L1140-K1145 WeakPolarHBondContact O-CE 3.3Å; L1140-K1145 PolarHBondContact O-NZ 2.95Å; S1141-K1145 PolarHBondContact O-N 3.42Å; K1145-K1149 WeakPolarHBondContact O-CB 3.19Å; K1145-K1149 PolarHBondContact O-N 2.97Å |
| 1146 | Y | 67.3 | Low | 57 | Low | 174 Ų | 174 | 99.2 Ų | 99.2 | 68% | 0.682 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -74.4 | -36.4 | 174.4 | -161.1 | -80.1 | 0 | 0 | 0 | 112.9 | L1142 S1143 E1144 A1150 | L1142-Y1146 WeakPolarHBondContact O-CB 3.35Å; L1142-Y1146 PolarHBondContact O-N 2.92Å; S1143-Y1146 WeakPolarHBondContact O-CB 3.44Å; S1143-Y1146 PolarHBondContact O-N 3.09Å; E1144-Y1146 PolarHBondContact O-N 3.21Å; Y1146-A1150 WeakPolarHBondContact O-CB 3.47Å; Y1146-A1150 PolarHBondContact O-N 2.78Å |
| 1147 | L | 70.7 | Confident | 57.1 | Low | 121 Ų | 121 | 102.5 Ų | 102.5 | 63% | 0.634 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.2 | -45.9 | 176.1 | -75.5 | 168.3 | 0 | 0 | 0 | 111.9 | S1143 E1144 K1149 A1150 A1151 | S1143-L1147 WeakPolarHBondContact O-CG 3.33Å; S1143-L1147 PolarHBondContact O-N 3.17Å; E1144-L1147 PolarHBondContact O-N 2.98Å; L1147-K1149 VanDerWaalsContact C-N 3.31Å; L1147-K1149 PolarHBondContact O-N 3.47Å; L1147-A1150 CarbonylContact O-C 3.54Å; L1147-A1150 PolarHBondContact O-N 3.49Å; L1147-A1150 VanDerWaalsContact O-N 3.13Å; L1147-A1151 PolarHBondContact O-N 3.5Å |
| 1148 | I | 70.8 | Confident | 57.1 | Low | 70 Ų | 70 | 103.9 Ų | 103.9 | 36% | 0.359 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 175.6 | -65.4 | 165.6 | 0 | 0 | 0 | 110.3 | L1140 E1144 A1151 R1152 | L1140-I1148 HydrophobicContact CD1-CD1 4.11Å; E1144-I1148 WeakPolarHBondContact O-CG1 3.24Å; E1144-I1148 PolarHBondContact O-N 2.97Å; I1148-A1151 PolarHBondContact O-N 3.15Å; I1148-R1152 PolarHBondContact O-N 3.26Å |
| 1149 | K | 69.5 | Low | 56.5 | Low | 124 Ų | 124 | 100.4 Ų | 100.4 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 174.1 | -179.3 | 169.2 | 175.1 | 168.1 | 0 | 112.4 | K1145 L1147 A1151 R1152 E1153 | K1145-K1149 WeakPolarHBondContact O-CB 3.19Å; K1145-K1149 PolarHBondContact O-N 2.97Å; L1147-K1149 VanDerWaalsContact C-N 3.31Å; L1147-K1149 PolarHBondContact O-N 3.47Å; K1149-A1151 VanDerWaalsContact C-N 3.27Å; K1149-A1151 PolarHBondContact O-N 3.31Å; K1149-R1152 PolarHBondContact O-N 3.43Å; K1149-E1153 WeakPolarHBondContact CE-OE1 3.26Å; K1149-E1153 HydrophobicContact CG-CG 4.48Å; K1149-E1153 IonicContact NZ-OE1 2.77Å; K1149-E1153 WeakPolarHBondContact O-CB 3.45Å; K1149-E1153 WeakPolarHBondContact O-CG 3.26Å; K1149-E1153 PolarHBondContact O-N 3.25Å |
| 1150 | A | 60.7 | Low | 56 | Low | 25 Ų | 25 | 97 Ų | 97 | 21% | 0.207 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -68.4 | -25.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1146 L1147 R1154 | Y1146-A1150 WeakPolarHBondContact O-CB 3.47Å; Y1146-A1150 PolarHBondContact O-N 2.78Å; L1147-A1150 CarbonylContact O-C 3.54Å; L1147-A1150 PolarHBondContact O-N 3.49Å; L1147-A1150 VanDerWaalsContact O-N 3.13Å; A1150-R1154 WeakPolarHBondContact O-CG 3.46Å; A1150-R1154 PolarHBondContact O-N 3.2Å |
| 1151 | A | 59.4 | Low | 54.5 | Low | 49 Ų | 49 | 103.3 Ų | 103.3 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.7 | -51 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | L1147 I1148 K1149 E1153 R1154 V1155 | L1147-A1151 PolarHBondContact O-N 3.5Å; I1148-A1151 PolarHBondContact O-N 3.15Å; K1149-A1151 VanDerWaalsContact C-N 3.27Å; K1149-A1151 PolarHBondContact O-N 3.31Å; A1151-E1153 PolarHBondContact O-N 3.17Å; A1151-R1154 WeakPolarHBondContact O-CB 3.37Å; A1151-R1154 PolarHBondContact O-N 3.07Å; A1151-V1155 PolarHBondContact O-N 2.74Å; A1151-V1155 VanDerWaalsContact O-N 3.09Å |
| 1152 | R | 57.2 | Low | 53.4 | Low | 88 Ų | 88 | 106.7 Ų | 106.7 | 33% | 0.332 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -54.8 | -48.9 | 174.2 | -73.3 | -174.8 | 173.2 | 168.4 | 0.6 | 111.7 | I1131 L1134 I1148 K1149 R1154 V1155 E1156 | I1131-R1152 HydrophobicContact CG2-CG 4.24Å; I1131-R1152 PolarHBondContact O-NH2 2.92Å; L1134-R1152 PolarHBondContact O-NH2 3.49Å; I1148-R1152 PolarHBondContact O-N 3.26Å; K1149-R1152 PolarHBondContact O-N 3.43Å; R1152-R1154 PolarHBondContact O-N 3.41Å; R1152-R1154 VanDerWaalsContact O-N 3.17Å; R1152-V1155 PolarHBondContact O-N 3.3Å; R1152-E1156 WeakPolarHBondContact O-CG 3.14Å; R1152-E1156 PolarHBondContact O-N 3.26Å |
| 1153 | E | 57.1 | Low | 51.7 | Low | 95 Ų | 95 | 108.2 Ų | 108.2 | 44% | 0.444 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.4 | -25 | 175.3 | -76.9 | -177 | -174.9 | 0 | 0 | 113.3 | K1149 A1151 N1157 | K1149-E1153 WeakPolarHBondContact CE-OE1 3.26Å; K1149-E1153 HydrophobicContact CG-CG 4.48Å; K1149-E1153 IonicContact NZ-OE1 2.77Å; K1149-E1153 WeakPolarHBondContact O-CB 3.45Å; K1149-E1153 WeakPolarHBondContact O-CG 3.26Å; K1149-E1153 PolarHBondContact O-N 3.25Å; A1151-E1153 PolarHBondContact O-N 3.17Å; E1153-N1157 WeakPolarHBondContact O-CB 3.3Å; E1153-N1157 PolarHBondContact O-ND2 2.78Å |
| 1154 | R | 47.9 | Very low | 49.8 | Very low | 181 Ų | 181 | 112.8 Ų | 112.8 | 68% | 0.683 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -78.2 | -46 | 174.1 | -80.9 | -175 | -165.9 | 129.2 | -1.6 | 112.2 | A1150 A1151 R1152 N1157 T1158 | A1150-R1154 WeakPolarHBondContact O-CG 3.46Å; A1150-R1154 PolarHBondContact O-N 3.2Å; A1151-R1154 WeakPolarHBondContact O-CB 3.37Å; A1151-R1154 PolarHBondContact O-N 3.07Å; R1152-R1154 PolarHBondContact O-N 3.41Å; R1152-R1154 VanDerWaalsContact O-N 3.17Å; R1154-N1157 PolarHBondContact O-N 3.3Å; R1154-N1157 VanDerWaalsContact O-N 3.1Å; R1154-T1158 PolarHBondContact O-N 2.69Å; R1154-T1158 PolarHBondContact O-OG1 3.4Å |
| 1155 | V | 48.6 | Very low | 48.1 | Very low | 47 Ų | 47 | 115.4 Ų | 115.4 | 29% | 0.285 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.4 | -45.9 | -178.7 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | V1128 A1151 R1152 N1157 T1158 | V1128-V1155 HydrophobicContact CG2-CG1 4.33Å; A1151-V1155 PolarHBondContact O-N 2.74Å; A1151-V1155 VanDerWaalsContact O-N 3.09Å; R1152-V1155 PolarHBondContact O-N 3.3Å; V1155-N1157 PolarHBondContact O-N 2.81Å; V1155-T1158 WeakPolarHBondContact CA-OG1 3.09Å; V1155-T1158 PolarHBondContact O-N 3.28Å; V1155-T1158 VanDerWaalsContact O-N 3.13Å; V1155-T1158 PolarHBondContact O-OG1 2.97Å |
| 1156 | E | 47.7 | Very low | 46.2 | Very low | 142 Ų | 142 | 119.2 Ų | 119.2 | 66% | 0.664 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.3 | -32.2 | 174.6 | -71.2 | 172.5 | -170.2 | 0 | 0 | 113.1 | R1152 | R1152-E1156 WeakPolarHBondContact O-CG 3.14Å; R1152-E1156 PolarHBondContact O-N 3.26Å |
| 1157 | N | 45.2 | Very low | 44.1 | Very low | 139 Ų | 139 | 117.1 Ų | 117.1 | 74% | 0.743 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -5.8 | 179.8 | -83.4 | -68.5 | 0 | 0 | 0 | 114.1 | E1153 R1154 V1155 | E1153-N1157 WeakPolarHBondContact O-CB 3.3Å; E1153-N1157 PolarHBondContact O-ND2 2.78Å; R1154-N1157 PolarHBondContact O-N 3.3Å; R1154-N1157 VanDerWaalsContact O-N 3.1Å; V1155-N1157 PolarHBondContact O-N 2.81Å |
| 1158 | T | 37.1 | Very low | 42 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 66% | 0.663 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -20.7 | 178.1 | 37.4 | 0 | 0 | 0 | 0 | 114.5 | R1154 V1155 S1160 | R1154-T1158 PolarHBondContact O-N 2.69Å; R1154-T1158 PolarHBondContact O-OG1 3.4Å; V1155-T1158 WeakPolarHBondContact CA-OG1 3.09Å; V1155-T1158 PolarHBondContact O-N 3.28Å; V1155-T1158 VanDerWaalsContact O-N 3.13Å; V1155-T1158 PolarHBondContact O-OG1 2.97Å; T1158-S1160 PolarHBondContact O-N 3.35Å |
| 1159 | V | 31.6 | Very low | 39.8 | Very low | 65 Ų | 65 | 122 Ų | 122 | 39% | 0.394 | 64% | 0.635 | S | S | . | * | trans | -90.1 | 94.7 | 179.8 | -172.6 | 0 | 0 | 0 | 0 | 110.5 | F1161 | V1159-F1161 HydrophobicContact CG1-CD2 4.06Å; V1159-F1161 HydrophobicContact CG1-CE2 3.65Å | ||
| 1160 | S | 28.3 | Very low | 37.7 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 80% | 0.797 | 64% | 0.642 | S | S | * | * | trans | -92.8 | 116.6 | -179.8 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | T1158 | T1158-S1160 PolarHBondContact O-N 3.35Š| ||
| 1161 | F | 28.3 | Very low | 36.4 | Very low | 183 Ų | 183 | 127.9 Ų | 127.9 | 80% | 0.803 | 68% | 0.675 | S | S | * | * | trans | -90.7 | 163.1 | 173.5 | -87.1 | -83.2 | 0 | 0 | 0 | 112.5 | V1159 | V1159-F1161 HydrophobicContact CG1-CD2 4.06Å; V1159-F1161 HydrophobicContact CG1-CE2 3.65Å | ||
| 1162 | P | 35.6 | Very low | 34.8 | Very low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 70% | 0.696 | S | S | * | * | -109.6 | 174.4 | -112.8 | 39.9 | -37.8 | 0 | 0 | 0 | 115.6 | |||||
| 1163 | K | 26.6 | Very low | 33.6 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 81% | 0.809 | 72% | 0.722 | S | S | * | * | trans | -70.8 | 124.9 | 177.7 | -63.6 | 170.4 | -179.9 | 170.9 | 0 | 111.3 | ||||
| 1164 | L | 27 | Very low | 32 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 91% | 0.911 | 74% | 0.742 | S | S | * | * | trans | -90.8 | 115.3 | 152.8 | -74.2 | 168.1 | 0 | 0 | 0 | 108.3 | ||||
| 1165 | L | 26.3 | Very low | 31.2 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | trans | -92.6 | 127.7 | 168.6 | -92.7 | 136.6 | 0 | 0 | 0 | 107.8 | ||||
| 1166 | I | 28.2 | Very low | 30.1 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | -129.4 | 126.6 | 162.9 | -65.7 | 179.8 | 0 | 0 | 0 | 106.3 | ||||
| 1167 | D | 21.9 | Very low | 29.4 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -80.7 | 151.3 | -174.5 | -65.6 | -63.1 | 0 | 0 | 0 | 113 | ||||
| 1168 | S | 27.1 | Very low | 28.8 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -176.6 | 95.8 | 136.6 | 24.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1169 | H | 25.2 | Very low | 28.9 | Very low | 177 Ų | 177 | 146 Ų | 146 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | trans | 26.5 | 137.8 | 135.8 | -87.1 | -85.6 | 0 | 0 | 0 | 123.6 | ||||
| 1170 | S | 25.9 | Very low | 29.8 | Very low | 100 Ų | 100 | 148.5 Ų | 148.5 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | 76.2 | 97.1 | 139.5 | -61 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1171 | L | 32.4 | Very low | 31.8 | Very low | 173 Ų | 173 | 145 Ų | 145 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | -157.2 | 108.6 | 121.1 | -107.5 | 166.8 | 0 | 0 | 0 | 110.2 | |||||
| 1172 | N | 25.5 | Very low | 34.6 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | -76.6 | 123.6 | 175.5 | -90.5 | -32 | 0 | 0 | 0 | 110.6 | ||||
| 1173 | H | 32.7 | Very low | 37.1 | Very low | 190 Ų | 190 | 135 Ų | 135 | 88% | 0.88 | 74% | 0.736 | S | S | * | * | trans | -147.9 | 121.5 | 147.1 | -100.6 | -69.5 | 0 | 0 | 0 | 110.3 | ||||
| 1174 | Q | 24.1 | Very low | 40.2 | Very low | 186 Ų | 186 | 126.2 Ų | 126.2 | 87% | 0.869 | 70% | 0.698 | S | S | * | * | trans | -78.9 | 132.5 | 179.2 | -65.3 | 171.1 | -12.3 | 0 | 0 | 111 | ||||
| 1175 | S | 29.7 | Very low | 43.1 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | trans | -176.4 | 140.6 | 132 | 36 | 0 | 0 | 0 | 0 | 111 | ||||
| 1176 | N | 26.7 | Very low | 46 | Very low | 156 Ų | 156 | 122.6 Ų | 122.6 | 83% | 0.834 | 68% | 0.679 | S | S | * | * | trans | -76.8 | 123 | -166.4 | -65.8 | -38.9 | 0 | 0 | 0 | 113.4 | ||||
| 1177 | F | 31.1 | Very low | 49.1 | Very low | 191 Ų | 191 | 117 Ų | 117 | 84% | 0.838 | 65% | 0.654 | S | S | * | * | trans | -148.4 | 123.3 | 147.5 | -85.9 | -71.5 | 0 | 0 | 0 | 110.8 | V1179 | F1177-V1179 PolarHBondContact O-N 3.45Š| ||
| 1178 | P | 33.8 | Very low | 52.4 | Low | 123 Ų | 123 | 116.5 Ų | 116.5 | 80% | 0.799 | 65% | 0.651 | S | S | * | * | trans | -77.8 | 87.4 | -178.4 | 31.1 | -34.4 | 0 | 0 | 0 | 111.2 | S1180 | P1178-S1180 VanDerWaalsContact C-N 3.3Å; P1178-S1180 PolarHBondContact O-N 3.03Å | ||
| 1179 | V | 39.7 | Very low | 55.4 | Low | 110 Ų | 110 | 116.2 Ų | 116.2 | 67% | 0.667 | 64% | 0.636 | S | S | * | * | trans | -77.2 | 82.4 | 173.5 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | F1177 G1181 I1183 | F1177-V1179 PolarHBondContact O-N 3.45Å; V1179-G1181 PolarHBondContact O-N 3.26Å; V1179-I1183 HydrophobicContact CG1-CD1 4.15Å | ||
| 1180 | S | 50.5 | Low | 58.5 | Low | 119 Ų | 119 | 113.3 Ų | 113.3 | 83% | 0.832 | 63% | 0.626 | S | S | * | * | trans | -70.8 | 42 | 165.3 | 56.3 | 0 | 0 | 0 | 0 | 112.3 | P1178 | P1178-S1180 VanDerWaalsContact C-N 3.3Å; P1178-S1180 PolarHBondContact O-N 3.03Å | ||
| 1181 | G | 69.8 | Low | 61.7 | Low | 39 Ų | 39 | 110.9 Ų | 110.9 | 40% | 0.402 | 60% | 0.603 | S | S | . | * | trans | -74.8 | 137.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1179 I1183 | V1179-G1181 PolarHBondContact O-N 3.26Å; G1181-I1183 PolarHBondContact O-N 2.79Å | ||
| 1182 | N | 87.4 | Confident | 64.5 | Low | 45 Ų | 45 | 109.1 Ų | 109.1 | 24% | 0.241 | 60% | 0.599 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.9 | 67.3 | 166.2 | -58 | -88.2 | 0 | 0 | 0 | 108.8 | F1191 K1194 L1197 | N1182-F1191 HydrophobicContact CB-CB 4.15Å; N1182-F1191 WeakPolarHBondContact CB-O 3.23Å; N1182-F1191 WeakPolarHBondContact O-CB 3.34Å; N1182-F1191 WeakPolarHBondContact O-CD2 3.43Å; N1182-F1191 PolarHBondContact O-N 3.26Å; N1182-K1194 WeakPolarHBondContact OD1-CA 3.36Å; N1182-K1194 VanDerWaalsContact OD1-CB 3.28Å; N1182-K1194 WeakPolarHBondContact OD1-CB 3.11Å; N1182-K1194 PolarHBondContact OD1-N 3.15Å; N1182-L1197 HydrophobicContact CB-CB 3.99Å; N1182-L1197 HydrophobicContact CB-CD2 3.87Å |
| 1183 | I | 87.9 | Confident | 67.5 | Low | 46 Ų | 46 | 107.7 Ų | 107.7 | 24% | 0.236 | 59% | 0.586 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 142.4 | 179.6 | -48.6 | -172.2 | 0 | 0 | 0 | 108.5 | V1179 G1181 K1189 N1190 | V1179-I1183 HydrophobicContact CG1-CD1 4.15Å; G1181-I1183 PolarHBondContact O-N 2.79Å; I1183-K1189 WeakPolarHBondContact CA-O 3.33Å; I1183-N1190 WeakPolarHBondContact CD1-OD1 3.48Å; I1183-N1190 HydrophobicContact CG1-CB 4.48Å; I1183-N1190 WeakPolarHBondContact CG1-OD1 3.41Å; I1183-N1190 WeakPolarHBondContact CG2-OD1 3.21Å |
| 1184 | C | 91.8 | Very high | 70.2 | Confident | 0 Ų | 0 | 105.8 Ų | 105.8 | 0% | 0 | 58% | 0.575 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 111.6 | 169.8 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | I1186 C1187 N1188 K1189 F1191 L1197 H1200 L1201 H1204 | C1184-I1186 PolarHBondContact O-N 3.49Å; C1184-C1187 PolarHBondContact O-N 2.94Å; C1184-C1187 VanDerWaalsContact O-N 3.13Å; C1184-N1188 VanDerWaalsContact O-CA 3.25Å; C1184-N1188 WeakPolarHBondContact O-CA 3.44Å; C1184-N1188 PolarHBondContact O-N 2.74Å; C1184-K1189 PolarHBondContact N-O 2.85Å; C1184-F1191 HydrophobicContact CB-CE2 4.15Å; C1184-L1197 HydrophobicContact CB-CD1 3.62Å; C1184-H1200 WeakPolarHBondContact CB-CD2 3.18Å; C1184-H1200 WeakPolarHBondContact CB-NE2 3.48Å; C1184-H1200 PolarHBondContact SG-NE2 3.18Å; C1184-H1200 VanDerWaalsContact SG-NE2 3.4Å; C1184-L1201 VanDerWaalsContact SG-CD2 3.59Å; C1184-H1204 VanDerWaalsContact SG-CD2 3.55Å |
| 1185 | N | 87.6 | Confident | 73.3 | Confident | 145 Ų | 145 | 100.4 Ų | 100.4 | 78% | 0.775 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -18.1 | -178 | -56.5 | 6.5 | 0 | 0 | 0 | 113.9 | ||
| 1186 | I | 87.9 | Confident | 76.2 | Confident | 92 Ų | 92 | 97.7 Ų | 97.7 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -20.5 | -177.6 | -48.7 | 170.3 | 0 | 0 | 0 | 112.1 | C1184 L1201 H1204 F1205 | C1184-I1186 PolarHBondContact O-N 3.49Å; I1186-L1201 HydrophobicContact CD1-CD2 4.42Å; I1186-H1204 HydrophobicContact CD1-CB 3.62Å; I1186-H1204 WeakPolarHBondContact CG2-ND1 3.46Å; I1186-F1205 HydrophobicContact CD1-CE1 4.01Å; I1186-F1205 HydrophobicContact CD1-CE2 4.44Å; I1186-F1205 HydrophobicContact CD1-CZ 3.84Å |
| 1187 | C | 93.1 | Very high | 79.3 | Confident | 45 Ų | 45 | 91.3 Ų | 91.3 | 30% | 0.304 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.6 | 16.9 | 175.4 | 73.9 | 0 | 0 | 0 | 0 | 115.6 | C1184 K1189 H1200 H1204 | C1184-C1187 PolarHBondContact O-N 2.94Å; C1184-C1187 VanDerWaalsContact O-N 3.13Å; C1187-K1189 PolarHBondContact O-N 2.89Å; C1187-K1189 VanDerWaalsContact O-N 3.07Å; C1187-K1189 VanDerWaalsContact SG-CD 3.57Å; C1187-K1189 PolarHBondContact SG-NZ 3.48Å; C1187-H1200 PolarHBondContact SG-CE1 3.29Å; C1187-H1200 PolarHBondContact SG-NE2 2.93Å; C1187-H1204 PolarHBondContact SG-NE2 3.4Å |
| 1188 | N | 90.5 | Very high | 82.1 | Confident | 121 Ų | 121 | 89.9 Ų | 89.9 | 65% | 0.647 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 36.9 | 178.5 | -64.7 | -15.9 | 0 | 0 | 0 | 114.9 | C1184 | C1184-N1188 VanDerWaalsContact O-CA 3.25Å; C1184-N1188 WeakPolarHBondContact O-CA 3.44Å; C1184-N1188 PolarHBondContact O-N 2.74Å |
| 1189 | K | 90.7 | Very high | 84.7 | Confident | 111 Ų | 111 | 87.2 Ų | 87.2 | 48% | 0.483 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 125.7 | 172.9 | -73.7 | 179.1 | -168.5 | 123.1 | 0 | 110.7 | I1183 C1184 C1187 F1191 | I1183-K1189 WeakPolarHBondContact CA-O 3.33Å; C1184-K1189 PolarHBondContact N-O 2.85Å; C1187-K1189 PolarHBondContact O-N 2.89Å; C1187-K1189 VanDerWaalsContact O-N 3.07Å; C1187-K1189 VanDerWaalsContact SG-CD 3.57Å; C1187-K1189 PolarHBondContact SG-NZ 3.48Å; K1189-F1191 HydrophobicContact CB-CE2 3.59Å; K1189-F1191 HydrophobicContact CB-CZ 3.86Å; K1189-F1191 WeakPolarHBondContact O-CD2 3.35Å; K1189-F1191 WeakPolarHBondContact O-CE2 3.04Å |
| 1190 | N | 90.3 | Very high | 87.2 | Confident | 115 Ų | 115 | 82.9 Ų | 82.9 | 62% | 0.615 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 130.5 | 176.1 | -60.4 | 15.8 | 0 | 0 | 0 | 110.5 | I1183 | I1183-N1190 WeakPolarHBondContact CD1-OD1 3.48Å; I1183-N1190 HydrophobicContact CG1-CB 4.48Å; I1183-N1190 WeakPolarHBondContact CG1-OD1 3.41Å; I1183-N1190 WeakPolarHBondContact CG2-OD1 3.21Å |
| 1191 | F | 93.1 | Very high | 89.1 | Confident | 50 Ų | 50 | 79.6 Ų | 79.6 | 22% | 0.219 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 144.7 | 175.7 | -64.2 | -89.2 | 0 | 0 | 0 | 110.8 | N1182 C1184 K1189 K1193 D1196 L1197 H1200 | N1182-F1191 HydrophobicContact CB-CB 4.15Å; N1182-F1191 WeakPolarHBondContact CB-O 3.23Å; N1182-F1191 WeakPolarHBondContact O-CB 3.34Å; N1182-F1191 WeakPolarHBondContact O-CD2 3.43Å; N1182-F1191 PolarHBondContact O-N 3.26Å; C1184-F1191 HydrophobicContact CB-CE2 4.15Å; K1189-F1191 HydrophobicContact CB-CE2 3.59Å; K1189-F1191 HydrophobicContact CB-CZ 3.86Å; K1189-F1191 WeakPolarHBondContact O-CD2 3.35Å; K1189-F1191 WeakPolarHBondContact O-CE2 3.04Å; F1191-K1193 PolarHBondContact O-N 3.37Å; F1191-D1196 HydrophobicContact CB-CB 4.32Å; F1191-D1196 HydrophobicContact CD1-CB 3.86Å; F1191-D1196 HydrophobicContact CG-CB 4.44Å; F1191-L1197 HydrophobicContact CB-CB 4.03Å; F1191-L1197 HydrophobicContact CD2-CB 3.99Å; F1191-L1197 HydrophobicContact CD2-CD1 3.82Å; F1191-L1197 HydrophobicContact CE2-CD1 4.19Å; F1191-L1197 HydrophobicContact CG-CB 4.08Å; F1191-H1200 HydrophobicContact CE1-CB 3.8Å; F1191-H1200 HydrophobicContact CE2-CB 4.03Å; F1191-H1200 AromaticContact CE2-CD2 3.06Å; F1191-H1200 WeakPolarHBondContact CE2-CD2 3.24Å; F1191-H1200 AromaticContact CE2-CG 3.69Å; F1191-H1200 AromaticContact CE2-NE2 3.75Å; F1191-H1200 HydrophobicContact CZ-CB 3.48Å; F1191-H1200 VanDerWaalsContact CZ-CB 3.48Å; F1191-H1200 AromaticContact CZ-CD2 3.1Å; F1191-H1200 WeakPolarHBondContact CZ-CD2 3.48Å; F1191-H1200 AromaticContact CZ-CG 3.22Å; F1191-H1200 AromaticContact CZ-ND1 3.99Å; F1191-H1200 AromaticContact CZ-NE2 3.73Å |
| 1192 | T | 89.6 | Confident | 90.2 | Very high | 135 Ų | 135 | 79 Ų | 79 | 83% | 0.828 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -79.7 | -6.7 | 176.9 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1193 | K | 89.4 | Confident | 90.2 | Very high | 125 Ų | 125 | 80.5 Ų | 80.5 | 54% | 0.543 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -146.9 | 138.9 | -178.1 | -60.4 | -171.5 | 176 | -161.9 | 0 | 110.8 | F1191 S1195 D1196 L1197 | F1191-K1193 PolarHBondContact O-N 3.37Å; K1193-S1195 PolarHBondContact O-N 3.3Å; K1193-D1196 HydrophobicContact CB-CB 4.36Å; K1193-D1196 PolarHBondContact O-N 3.43Å; K1193-L1197 PolarHBondContact O-N 2.88Å |
| 1194 | K | 88.9 | Confident | 90.2 | Very high | 150 Ų | 150 | 81.6 Ų | 81.6 | 65% | 0.652 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -55.8 | -32.8 | 173.5 | -165.8 | 169.7 | -177.2 | 173.1 | 0 | 112.9 | N1182 R1198 | N1182-K1194 WeakPolarHBondContact OD1-CA 3.36Å; N1182-K1194 VanDerWaalsContact OD1-CB 3.28Å; N1182-K1194 WeakPolarHBondContact OD1-CB 3.11Å; N1182-K1194 PolarHBondContact OD1-N 3.15Å; K1194-R1198 WeakPolarHBondContact O-CB 3.13Å; K1194-R1198 PolarHBondContact O-N 3.22Å |
| 1195 | S | 89.2 | Confident | 90.1 | Very high | 74 Ų | 74 | 87.9 Ų | 87.9 | 52% | 0.517 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.4 | -31.3 | 175.8 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | K1193 Y1199 | K1193-S1195 PolarHBondContact O-N 3.3Å; S1195-Y1199 WeakPolarHBondContact O-CB 3.13Å; S1195-Y1199 PolarHBondContact O-N 3.31Å |
| 1196 | D | 90.6 | Very high | 90 | Very high | 59 Ų | 59 | 83.1 Ų | 83.1 | 32% | 0.316 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -75.8 | -36.7 | 173.5 | -71.3 | -50.1 | 0 | 0 | 0 | 110.9 | F1191 K1193 H1200 | F1191-D1196 HydrophobicContact CB-CB 4.32Å; F1191-D1196 HydrophobicContact CD1-CB 3.86Å; F1191-D1196 HydrophobicContact CG-CB 4.44Å; K1193-D1196 HydrophobicContact CB-CB 4.36Å; K1193-D1196 PolarHBondContact O-N 3.43Å; D1196-H1200 WeakPolarHBondContact O-CB 3.49Å; D1196-H1200 PolarHBondContact O-N 2.99Å |
| 1197 | L | 92.8 | Very high | 90 | Very high | 22 Ų | 22 | 82.7 Ų | 82.7 | 12% | 0.115 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.8 | -50.9 | 168.6 | 172.4 | 62.1 | 0 | 0 | 0 | 111.1 | N1182 C1184 F1191 K1193 Y1199 H1200 L1201 | N1182-L1197 HydrophobicContact CB-CB 3.99Å; N1182-L1197 HydrophobicContact CB-CD2 3.87Å; C1184-L1197 HydrophobicContact CB-CD1 3.62Å; F1191-L1197 HydrophobicContact CB-CB 4.03Å; F1191-L1197 HydrophobicContact CD2-CB 3.99Å; F1191-L1197 HydrophobicContact CD2-CD1 3.82Å; F1191-L1197 HydrophobicContact CE2-CD1 4.19Å; F1191-L1197 HydrophobicContact CG-CB 4.08Å; K1193-L1197 PolarHBondContact O-N 2.88Å; L1197-Y1199 VanDerWaalsContact C-N 3.33Å; L1197-Y1199 PolarHBondContact O-N 3.46Å; L1197-H1200 CarbonylContact O-C 3.52Å; L1197-H1200 WeakPolarHBondContact O-CA 3.47Å; L1197-H1200 WeakPolarHBondContact O-CB 3.48Å; L1197-H1200 PolarHBondContact O-N 2.86Å; L1197-L1201 HydrophobicContact CD1-CD1 4.05Å; L1197-L1201 HydrophobicContact CD1-CD2 4.41Å; L1197-L1201 HydrophobicContact CD1-CG 3.92Å; L1197-L1201 HydrophobicContact CD2-CD1 4.47Å; L1197-L1201 HydrophobicContact CG-CD1 3.91Å; L1197-L1201 HydrophobicContact CG-CG 4.24Å; L1197-L1201 WeakPolarHBondContact O-CG 3.43Å; L1197-L1201 PolarHBondContact O-N 2.81Å |
| 1198 | R | 90.2 | Very high | 90 | Very high | 162 Ų | 162 | 86 Ų | 86 | 61% | 0.611 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -56.5 | -46.1 | 177.3 | -173.8 | -176.6 | -70 | 164 | -6.1 | 111.5 | K1194 H1200 L1201 N1202 | K1194-R1198 WeakPolarHBondContact O-CB 3.13Å; K1194-R1198 PolarHBondContact O-N 3.22Å; R1198-H1200 PolarHBondContact O-N 2.96Å; R1198-L1201 PolarHBondContact O-N 3.09Å; R1198-N1202 PolarHBondContact O-N 3.32Å; R1198-N1202 PolarHBondContact O-OD1 3.35Å |
| 1199 | Y | 88.4 | Confident | 89.8 | Confident | 67 Ų | 67 | 83.2 Ų | 83.2 | 26% | 0.263 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.7 | -34.8 | 174.5 | 172.7 | -97.4 | 0 | 0 | 0 | 112.9 | S1195 L1197 V1203 M1220 K1221 | S1195-Y1199 WeakPolarHBondContact O-CB 3.13Å; S1195-Y1199 PolarHBondContact O-N 3.31Å; L1197-Y1199 VanDerWaalsContact C-N 3.33Å; L1197-Y1199 PolarHBondContact O-N 3.46Å; Y1199-V1203 HydrophobicContact CE1-CG2 4.39Å; Y1199-M1220 HydrophobicContact CE2-CB 3.56Å; Y1199-M1220 WeakPolarHBondContact CE2-O 3.49Å; Y1199-K1221 HydrophobicContact CD2-CD 4.18Å; Y1199-K1221 HydrophobicContact CD2-CG 3.72Å; Y1199-K1221 VanDerWaalsContact CE1-CE 3.45Å; Y1199-K1221 HydrophobicContact CE2-CD 3.8Å; Y1199-K1221 HydrophobicContact CE2-CG 3.21Å |
| 1200 | H | 91.9 | Very high | 90 | Very high | 19 Ų | 19 | 82.6 Ų | 82.6 | 9% | 0.088 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -80.1 | -34.6 | 178.9 | 168.2 | 57.3 | 0 | 0 | 0 | 113.3 | C1184 C1187 F1191 D1196 L1197 R1198 N1202 V1203 H1204 | C1184-H1200 WeakPolarHBondContact CB-CD2 3.18Å; C1184-H1200 WeakPolarHBondContact CB-NE2 3.48Å; C1184-H1200 PolarHBondContact SG-NE2 3.18Å; C1184-H1200 VanDerWaalsContact SG-NE2 3.4Å; C1187-H1200 PolarHBondContact SG-CE1 3.29Å; C1187-H1200 PolarHBondContact SG-NE2 2.93Å; F1191-H1200 HydrophobicContact CE1-CB 3.8Å; F1191-H1200 HydrophobicContact CE2-CB 4.03Å; F1191-H1200 AromaticContact CE2-CD2 3.06Å; F1191-H1200 WeakPolarHBondContact CE2-CD2 3.24Å; F1191-H1200 AromaticContact CE2-CG 3.69Å; F1191-H1200 AromaticContact CE2-NE2 3.75Å; F1191-H1200 HydrophobicContact CZ-CB 3.48Å; F1191-H1200 VanDerWaalsContact CZ-CB 3.48Å; F1191-H1200 AromaticContact CZ-CD2 3.1Å; F1191-H1200 WeakPolarHBondContact CZ-CD2 3.48Å; F1191-H1200 AromaticContact CZ-CG 3.22Å; F1191-H1200 AromaticContact CZ-ND1 3.99Å; F1191-H1200 AromaticContact CZ-NE2 3.73Å; D1196-H1200 WeakPolarHBondContact O-CB 3.49Å; D1196-H1200 PolarHBondContact O-N 2.99Å; L1197-H1200 CarbonylContact O-C 3.52Å; L1197-H1200 WeakPolarHBondContact O-CA 3.47Å; L1197-H1200 WeakPolarHBondContact O-CB 3.48Å; L1197-H1200 PolarHBondContact O-N 2.86Å; R1198-H1200 PolarHBondContact O-N 2.96Å; H1200-N1202 VanDerWaalsContact C-N 3.28Å; H1200-N1202 PolarHBondContact O-N 2.94Å; H1200-V1203 WeakPolarHBondContact O-CA 3.47Å; H1200-V1203 VanDerWaalsContact O-CB 3.27Å; H1200-V1203 WeakPolarHBondContact O-CB 3.02Å; H1200-V1203 PolarHBondContact O-N 2.97Å; H1200-H1204 AromaticContact CE1-CD2 3.46Å; H1200-H1204 PolarHBondContact CE1-CD2 3.11Å; H1200-H1204 VanDerWaalsContact CE1-CD2 3.46Å; H1200-H1204 AromaticContact CE1-NE2 3.13Å; H1200-H1204 PolarHBondContact CE1-NE2 3.43Å; H1200-H1204 AromaticContact NE2-CD2 3.64Å; H1200-H1204 AromaticContact NE2-NE2 3.35Å; H1200-H1204 PolarHBondContact NE2-NE2 2.81Å; H1200-H1204 PolarHBondContact O-N 2.92Å |
| 1201 | L | 90.7 | Very high | 90 | Very high | 49 Ų | 49 | 80.6 Ų | 80.6 | 26% | 0.257 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 169.7 | -72.2 | 170.5 | 0 | 0 | 0 | 110.6 | C1184 I1186 L1197 R1198 V1203 H1204 F1205 | C1184-L1201 VanDerWaalsContact SG-CD2 3.59Å; I1186-L1201 HydrophobicContact CD1-CD2 4.42Å; L1197-L1201 HydrophobicContact CD1-CD1 4.05Å; L1197-L1201 HydrophobicContact CD1-CD2 4.41Å; L1197-L1201 HydrophobicContact CD1-CG 3.92Å; L1197-L1201 HydrophobicContact CD2-CD1 4.47Å; L1197-L1201 HydrophobicContact CG-CD1 3.91Å; L1197-L1201 HydrophobicContact CG-CG 4.24Å; L1197-L1201 WeakPolarHBondContact O-CG 3.43Å; L1197-L1201 PolarHBondContact O-N 2.81Å; R1198-L1201 PolarHBondContact O-N 3.09Å; L1201-V1203 PolarHBondContact O-N 3.35Å; L1201-V1203 VanDerWaalsContact O-N 3.13Å; L1201-H1204 WeakPolarHBondContact O-CA 3.46Å; L1201-H1204 WeakPolarHBondContact O-CB 3.37Å; L1201-H1204 PolarHBondContact O-N 2.84Å; L1201-F1205 HydrophobicContact CB-CD2 4.2Å; L1201-F1205 HydrophobicContact CB-CE2 4.01Å; L1201-F1205 HydrophobicContact CD2-CE2 4.15Å; L1201-F1205 WeakPolarHBondContact O-CD2 3.23Å; L1201-F1205 PolarHBondContact O-N 3.18Å |
| 1202 | N | 91.4 | Very high | 90 | Very high | 28 Ų | 28 | 78.2 Ų | 78.2 | 15% | 0.15 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.4 | -23.9 | 170.4 | -72.8 | 28.5 | 0 | 0 | 0 | 113.8 | R1198 H1200 G1206 I1207 M1220 | R1198-N1202 PolarHBondContact O-N 3.32Å; R1198-N1202 PolarHBondContact O-OD1 3.35Å; H1200-N1202 VanDerWaalsContact C-N 3.28Å; H1200-N1202 PolarHBondContact O-N 2.94Å; N1202-G1206 CarbonylContact O-C 3.5Å; N1202-G1206 WeakPolarHBondContact O-CA 3.23Å; N1202-G1206 PolarHBondContact O-N 3.4Å; N1202-I1207 WeakPolarHBondContact CB-O 3.23Å; N1202-I1207 PolarHBondContact O-N 3Å; N1202-I1207 VanDerWaalsContact O-N 3.13Å; N1202-M1220 HydrophobicContact CB-SD 4.34Å; N1202-M1220 WeakPolarHBondContact O-CE 3.29Å |
| 1203 | V | 87.9 | Confident | 90.1 | Very high | 76 Ų | 76 | 77.2 Ų | 77.2 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -76.4 | -34.2 | 172.3 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | Y1199 H1200 L1201 | Y1199-V1203 HydrophobicContact CE1-CG2 4.39Å; H1200-V1203 WeakPolarHBondContact O-CA 3.47Å; H1200-V1203 VanDerWaalsContact O-CB 3.27Å; H1200-V1203 WeakPolarHBondContact O-CB 3.02Å; H1200-V1203 PolarHBondContact O-N 2.97Å; L1201-V1203 PolarHBondContact O-N 3.35Å; L1201-V1203 VanDerWaalsContact O-N 3.13Å |
| 1204 | H | 89.4 | Confident | 90.1 | Very high | 69 Ų | 69 | 77.8 Ų | 77.8 | 32% | 0.319 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.1 | -48.6 | 175 | -79.9 | -76.5 | 0 | 0 | 0 | 112.3 | C1184 I1186 C1187 H1200 L1201 G1206 | C1184-H1204 VanDerWaalsContact SG-CD2 3.55Å; I1186-H1204 HydrophobicContact CD1-CB 3.62Å; I1186-H1204 WeakPolarHBondContact CG2-ND1 3.46Å; C1187-H1204 PolarHBondContact SG-NE2 3.4Å; H1200-H1204 AromaticContact CE1-CD2 3.46Å; H1200-H1204 PolarHBondContact CE1-CD2 3.11Å; H1200-H1204 VanDerWaalsContact CE1-CD2 3.46Å; H1200-H1204 AromaticContact CE1-NE2 3.13Å; H1200-H1204 PolarHBondContact CE1-NE2 3.43Å; H1200-H1204 AromaticContact NE2-CD2 3.64Å; H1200-H1204 AromaticContact NE2-NE2 3.35Å; H1200-H1204 PolarHBondContact NE2-NE2 2.81Å; H1200-H1204 PolarHBondContact O-N 2.92Å; L1201-H1204 WeakPolarHBondContact O-CA 3.46Å; L1201-H1204 WeakPolarHBondContact O-CB 3.37Å; L1201-H1204 PolarHBondContact O-N 2.84Å; H1204-G1206 PolarHBondContact O-N 2.91Å |
| 1205 | F | 87.9 | Confident | 90.3 | Very high | 131 Ų | 131 | 72.8 Ų | 72.8 | 58% | 0.575 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -79.6 | 0.5 | 179.6 | -57 | -60.8 | 0 | 0 | 0 | 113.7 | I1186 L1201 I1207 | I1186-F1205 HydrophobicContact CD1-CE1 4.01Å; I1186-F1205 HydrophobicContact CD1-CE2 4.44Å; I1186-F1205 HydrophobicContact CD1-CZ 3.84Å; L1201-F1205 HydrophobicContact CB-CD2 4.2Å; L1201-F1205 HydrophobicContact CB-CE2 4.01Å; L1201-F1205 HydrophobicContact CD2-CE2 4.15Å; L1201-F1205 WeakPolarHBondContact O-CD2 3.23Å; L1201-F1205 PolarHBondContact O-N 3.18Å; F1205-I1207 HydrophobicContact CB-CD1 3.67Å; F1205-I1207 HydrophobicContact CB-CG1 3.72Å; F1205-I1207 HydrophobicContact CG-CD1 4.38Å; F1205-I1207 PolarHBondContact O-N 3.31Å |
| 1206 | G | 86.9 | Confident | 90.3 | Very high | 45 Ų | 45 | 75.4 Ų | 75.4 | 46% | 0.464 | 37% | 0.368 | S | S | . | . | trans | 66 | -1.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N1202 H1204 R1208 | N1202-G1206 CarbonylContact O-C 3.5Å; N1202-G1206 WeakPolarHBondContact O-CA 3.23Å; N1202-G1206 PolarHBondContact O-N 3.4Å; H1204-G1206 PolarHBondContact O-N 2.91Å; G1206-R1208 WeakPolarHBondContact O-CG 3.19Å; G1206-R1208 PolarHBondContact O-N 3.29Å | ||
| 1207 | I | 88 | Confident | 90.4 | Very high | 83 Ų | 83 | 80.6 Ų | 80.6 | 43% | 0.426 | 38% | 0.383 | S | S | . | . | trans | -64.2 | 116.7 | -172.9 | -57.4 | 169.6 | 0 | 0 | 0 | 110.9 | N1202 F1205 P1209 | N1202-I1207 WeakPolarHBondContact CB-O 3.23Å; N1202-I1207 PolarHBondContact O-N 3Å; N1202-I1207 VanDerWaalsContact O-N 3.13Å; F1205-I1207 HydrophobicContact CB-CD1 3.67Å; F1205-I1207 HydrophobicContact CB-CG1 3.72Å; F1205-I1207 HydrophobicContact CG-CD1 4.38Å; F1205-I1207 PolarHBondContact O-N 3.31Å; I1207-P1209 WeakPolarHBondContact O-CD 3.1Å | ||
| 1208 | R | 91.4 | Very high | 90.3 | Very high | 115 Ų | 115 | 85.6 Ų | 85.6 | 43% | 0.434 | 40% | 0.4 | S | S | . | . | trans | -111.5 | 82.2 | 179.6 | -69 | 164.3 | 78.7 | 133.5 | -0.8 | 109.6 | G1206 Y1210 R1218 F1219 M1220 | G1206-R1208 WeakPolarHBondContact O-CG 3.19Å; G1206-R1208 PolarHBondContact O-N 3.29Å; R1208-Y1210 VanDerWaalsContact C-N 3.25Å; R1208-Y1210 PolarHBondContact O-N 3.15Å; R1208-R1218 HydrophobicContact CB-CB 3.57Å; R1208-R1218 VanDerWaalsContact CZ-O 3.24Å; R1208-R1218 PolarHBondContact NE-O 3.4Å; R1208-R1218 PolarHBondContact NH2-O 3.5Å; R1208-R1218 WeakPolarHBondContact O-CB 3.22Å; R1208-R1218 PolarHBondContact O-NE 2.69Å; R1208-R1218 VanDerWaalsContact O-NE 3.1Å; R1208-F1219 CarbonylContact C-O 3.28Å; R1208-M1220 HydrophobicContact CB-SD 4.46Å; R1208-M1220 HydrophobicContact CG-CE 3.53Å; R1208-M1220 HydrophobicContact CG-CG 3.99Å; R1208-M1220 HydrophobicContact CG-SD 3.56Å; R1208-M1220 VanDerWaalsContact CG-SD 3.56Å | ||
| 1209 | P | 88.2 | Confident | 90.5 | Very high | 63 Ų | 63 | 79.3 Ų | 79.3 | 41% | 0.409 | 38% | 0.377 | S | S | . | . | trans | -73.5 | -10.5 | -165.9 | 29.4 | -36.3 | 0 | 0 | 0 | 114.6 | I1207 | I1207-P1209 WeakPolarHBondContact O-CD 3.1Š| ||
| 1210 | Y | 93.7 | Very high | 90.6 | Very high | 97 Ų | 97 | 77.5 Ų | 77.5 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 95.7 | -175.6 | -58 | -75.1 | 0 | 0 | 0 | 111.5 | R1208 R1218 F1219 K1221 H1222 | R1208-Y1210 VanDerWaalsContact C-N 3.25Å; R1208-Y1210 PolarHBondContact O-N 3.15Å; Y1210-R1218 CarbonylContact O-C 3.59Å; Y1210-F1219 PolarHBondContact N-O 3.12Å; Y1210-F1219 VanDerWaalsContact N-O 3.16Å; Y1210-F1219 WeakPolarHBondContact O-CB 3.42Å; Y1210-F1219 WeakPolarHBondContact O-CD2 3.24Å; Y1210-F1219 PolarHBondContact O-N 3.12Å; Y1210-K1221 VanDerWaalsContact CD2-C 3.43Å; Y1210-H1222 HydrophobicContact CD1-CB 3.77Å; Y1210-H1222 VanDerWaalsContact CD2-N 3.26Å; Y1210-H1222 HydrophobicContact CE1-CB 3.74Å; Y1210-H1222 HydrophobicContact CG-CB 4.19Å |
| 1211 | E | 91.1 | Very high | 90.5 | Very high | 73 Ų | 73 | 80.1 Ų | 80.1 | 34% | 0.341 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 154.9 | 178.6 | -163.3 | 161.8 | 125.5 | 0 | 0 | 113.7 | H1216 R1218 L1225 | E1211-H1216 WeakPolarHBondContact OE1-CA 3.47Å; E1211-H1216 WeakPolarHBondContact OE1-CB 3.13Å; E1211-H1216 IonicContact OE1-CE1 3.91Å; E1211-H1216 IonicContact OE1-CG 3.45Å; E1211-H1216 IonicContact OE1-ND1 3.29Å; E1211-H1216 PolarHBondContact OE1-ND1 3.01Å; E1211-R1218 HydrophobicContact CB-CG 4.09Å; E1211-R1218 HydrophobicContact CG-CG 3.83Å; E1211-R1218 VanDerWaalsContact OE2-CD 3.29Å; E1211-R1218 WeakPolarHBondContact OE2-CD 3.13Å; E1211-R1218 WeakPolarHBondContact OE2-CG 3.25Å; E1211-R1218 IonicContact OE2-NE 2.6Å; E1211-L1225 VanDerWaalsContact O-CD1 3.23Å; E1211-L1225 WeakPolarHBondContact O-CD1 3.3Å; E1211-L1225 WeakPolarHBondContact O-CD2 3.21Å |
| 1212 | C | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | trans | -96.7 | 105 | 168.8 | -170.1 | 0 | 0 | 0 | 0 | 111.4 | K1214 C1215 H1216 R1217 F1219 L1225 H1228 H1233 | C1212-K1214 PolarHBondContact O-N 3.45Å; C1212-C1215 PolarHBondContact O-N 3.04Å; C1212-H1216 WeakPolarHBondContact O-CA 3.47Å; C1212-H1216 PolarHBondContact O-N 3.05Å; C1212-R1217 PolarHBondContact N-O 2.85Å; C1212-F1219 HydrophobicContact CB-CE2 4.25Å; C1212-L1225 HydrophobicContact CB-CD1 3.57Å; C1212-H1228 WeakPolarHBondContact CB-NE2 3.2Å; C1212-H1228 PolarHBondContact SG-CD2 3.2Å; C1212-H1228 PolarHBondContact SG-NE2 2.99Å; C1212-H1233 VanDerWaalsContact SG-CD2 3.58Å; C1212-H1233 PolarHBondContact SG-NE2 3.16Å | ||
| 1213 | D | 91.2 | Very high | 90.4 | Very high | 114 Ų | 114 | 83.4 Ų | 83.4 | 61% | 0.61 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 0.9 | 174.7 | 22 | -62.3 | 0 | 0 | 0 | 116 | K1229 | D1213-K1229 IonicContact OD1-NZ 2.76Å; D1213-K1229 PolarHBondContact OD1-NZ 3.13Å; D1213-K1229 IonicContact OD2-NZ 2.73Å; D1213-K1229 PolarHBondContact OD2-NZ 2.93Å |
| 1214 | K | 88.3 | Confident | 90.8 | Very high | 138 Ų | 138 | 83.2 Ų | 83.2 | 60% | 0.6 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -8.4 | 172.9 | -70.5 | -171.5 | 172.3 | -170.1 | 0 | 115.8 | C1212 H1233 | C1212-K1214 PolarHBondContact O-N 3.45Å; K1214-H1233 WeakPolarHBondContact CB-CE1 3.25Å; K1214-H1233 WeakPolarHBondContact CB-ND1 3.36Å; K1214-H1233 HydrophobicContact CD-CB 3.7Å; K1214-H1233 PolarHBondContact O-CE1 2.9Å; K1214-H1233 VanDerWaalsContact O-CE1 3.29Å |
| 1215 | C | 93.8 | Very high | 91 | Very high | 45 Ų | 45 | 80.4 Ų | 80.4 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -156.4 | 18.3 | 171.9 | 68 | 0 | 0 | 0 | 0 | 114.4 | C1212 R1217 H1228 H1233 | C1212-C1215 PolarHBondContact O-N 3.04Å; C1215-R1217 PolarHBondContact O-N 2.9Å; C1215-H1228 PolarHBondContact SG-CE1 3.24Å; C1215-H1228 PolarHBondContact SG-NE2 3.04Å; C1215-H1233 PolarHBondContact SG-NE2 3.5Å |
| 1216 | H | 89.5 | Confident | 91.2 | Very high | 129 Ų | 129 | 82 Ų | 82 | 60% | 0.597 | 39% | 0.386 | S | S | * | . | trans | 53.8 | 14 | 176 | -57.4 | -73 | 0 | 0 | 0 | 116 | E1211 C1212 R1218 | E1211-H1216 WeakPolarHBondContact OE1-CA 3.47Å; E1211-H1216 WeakPolarHBondContact OE1-CB 3.13Å; E1211-H1216 IonicContact OE1-CE1 3.91Å; E1211-H1216 IonicContact OE1-CG 3.45Å; E1211-H1216 IonicContact OE1-ND1 3.29Å; E1211-H1216 PolarHBondContact OE1-ND1 3.01Å; C1212-H1216 WeakPolarHBondContact O-CA 3.47Å; C1212-H1216 PolarHBondContact O-N 3.05Å; H1216-R1218 PolarHBondContact O-N 2.96Å | ||
| 1217 | R | 92.7 | Very high | 91.5 | Very high | 168 Ų | 168 | 85.1 Ų | 85.1 | 63% | 0.634 | 39% | 0.389 | S | S | * | . | trans | -71.7 | 117.3 | 175.2 | -74.1 | -174.7 | 179.1 | -129.2 | -2.1 | 109.9 | C1212 C1215 F1219 | C1212-R1217 PolarHBondContact N-O 2.85Å; C1215-R1217 PolarHBondContact O-N 2.9Å; R1217-F1219 HydrophobicContact CB-CE2 3.89Å; R1217-F1219 HydrophobicContact CB-CZ 3.98Å; R1217-F1219 WeakPolarHBondContact O-CD2 3.42Å; R1217-F1219 WeakPolarHBondContact O-CE2 3.4Å | ||
| 1218 | R | 91.1 | Very high | 91.8 | Very high | 127 Ų | 127 | 82.1 Ų | 82.1 | 48% | 0.479 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 143 | 177.9 | -60.5 | -178.1 | 77.4 | -173.9 | 11.1 | 112.2 | R1208 Y1210 E1211 H1216 | R1208-R1218 HydrophobicContact CB-CB 3.57Å; R1208-R1218 VanDerWaalsContact CZ-O 3.24Å; R1208-R1218 PolarHBondContact NE-O 3.4Å; R1208-R1218 PolarHBondContact NH2-O 3.5Å; R1208-R1218 WeakPolarHBondContact O-CB 3.22Å; R1208-R1218 PolarHBondContact O-NE 2.69Å; R1208-R1218 VanDerWaalsContact O-NE 3.1Å; Y1210-R1218 CarbonylContact O-C 3.59Å; E1211-R1218 HydrophobicContact CB-CG 4.09Å; E1211-R1218 HydrophobicContact CG-CG 3.83Å; E1211-R1218 VanDerWaalsContact OE2-CD 3.29Å; E1211-R1218 WeakPolarHBondContact OE2-CD 3.13Å; E1211-R1218 WeakPolarHBondContact OE2-CG 3.25Å; E1211-R1218 IonicContact OE2-NE 2.6Å; H1216-R1218 PolarHBondContact O-N 2.96Å |
| 1219 | F | 93.4 | Very high | 91.7 | Very high | 30 Ų | 30 | 79.3 Ų | 79.3 | 13% | 0.132 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151.1 | -176.8 | -64.3 | -83.1 | 0 | 0 | 0 | 112.4 | R1208 Y1210 C1212 R1217 Q1224 L1225 H1228 | R1208-F1219 CarbonylContact C-O 3.28Å; Y1210-F1219 PolarHBondContact N-O 3.12Å; Y1210-F1219 VanDerWaalsContact N-O 3.16Å; Y1210-F1219 WeakPolarHBondContact O-CB 3.42Å; Y1210-F1219 WeakPolarHBondContact O-CD2 3.24Å; Y1210-F1219 PolarHBondContact O-N 3.12Å; C1212-F1219 HydrophobicContact CB-CE2 4.25Å; R1217-F1219 HydrophobicContact CB-CE2 3.89Å; R1217-F1219 HydrophobicContact CB-CZ 3.98Å; R1217-F1219 WeakPolarHBondContact O-CD2 3.42Å; R1217-F1219 WeakPolarHBondContact O-CE2 3.4Å; F1219-Q1224 HydrophobicContact CB-CB 4.12Å; F1219-Q1224 HydrophobicContact CD1-CB 3.79Å; F1219-Q1224 HydrophobicContact CG-CB 4.2Å; F1219-L1225 HydrophobicContact CB-CB 4.27Å; F1219-L1225 HydrophobicContact CD2-CB 3.86Å; F1219-L1225 HydrophobicContact CD2-CD1 3.73Å; F1219-L1225 HydrophobicContact CD2-CG 4.42Å; F1219-L1225 HydrophobicContact CE2-CD1 3.94Å; F1219-L1225 HydrophobicContact CG-CB 4.22Å; F1219-H1228 HydrophobicContact CE1-CB 3.89Å; F1219-H1228 HydrophobicContact CE2-CB 3.82Å; F1219-H1228 AromaticContact CE2-CD2 3.42Å; F1219-H1228 VanDerWaalsContact CE2-CD2 3.42Å; F1219-H1228 WeakPolarHBondContact CE2-CD2 3.36Å; F1219-H1228 AromaticContact CE2-CG 3.59Å; F1219-H1228 HydrophobicContact CZ-CB 3.34Å; F1219-H1228 AromaticContact CZ-CD2 3.55Å; F1219-H1228 AromaticContact CZ-CG 3.2Å; F1219-H1228 AromaticContact CZ-ND1 3.7Å |
| 1220 | M | 90.9 | Very high | 91.8 | Very high | 29 Ų | 29 | 83 Ų | 83 | 14% | 0.143 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -79 | -25.5 | 178.4 | -64.6 | -71.2 | -169.2 | 0 | 0 | 112.4 | Y1199 N1202 R1208 | Y1199-M1220 HydrophobicContact CE2-CB 3.56Å; Y1199-M1220 WeakPolarHBondContact CE2-O 3.49Å; N1202-M1220 HydrophobicContact CB-SD 4.34Å; N1202-M1220 WeakPolarHBondContact O-CE 3.29Å; R1208-M1220 HydrophobicContact CB-SD 4.46Å; R1208-M1220 HydrophobicContact CG-CE 3.53Å; R1208-M1220 HydrophobicContact CG-CG 3.99Å; R1208-M1220 HydrophobicContact CG-SD 3.56Å; R1208-M1220 VanDerWaalsContact CG-SD 3.56Å |
| 1221 | K | 88.9 | Confident | 91.6 | Very high | 73 Ų | 73 | 84.7 Ų | 84.7 | 32% | 0.317 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -129.1 | 141.2 | 174 | -56 | -162.1 | 178.4 | -159.3 | 0 | 112.2 | Y1199 Y1210 S1223 Q1224 L1225 | Y1199-K1221 HydrophobicContact CD2-CD 4.18Å; Y1199-K1221 HydrophobicContact CD2-CG 3.72Å; Y1199-K1221 VanDerWaalsContact CE1-CE 3.45Å; Y1199-K1221 HydrophobicContact CE2-CD 3.8Å; Y1199-K1221 HydrophobicContact CE2-CG 3.21Å; Y1210-K1221 VanDerWaalsContact CD2-C 3.43Å; K1221-S1223 PolarHBondContact O-N 3.11Å; K1221-S1223 VanDerWaalsContact O-N 3.09Å; K1221-Q1224 HydrophobicContact CB-CG 4.17Å; K1221-Q1224 VanDerWaalsContact N-OE1 3.07Å; K1221-Q1224 WeakPolarHBondContact O-CA 3.27Å; K1221-Q1224 WeakPolarHBondContact O-CB 3.17Å; K1221-Q1224 PolarHBondContact O-N 3.42Å; K1221-L1225 PolarHBondContact O-N 2.88Å; K1221-L1225 VanDerWaalsContact O-N 3.15Å |
| 1222 | H | 90.9 | Very high | 91.4 | Very high | 80 Ų | 80 | 85 Ų | 85 | 37% | 0.37 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -52.6 | -32.8 | 168.6 | -171.6 | -7 | 0 | 0 | 0 | 112.7 | Y1210 Q1224 L1225 R1226 | Y1210-H1222 HydrophobicContact CD1-CB 3.77Å; Y1210-H1222 VanDerWaalsContact CD2-N 3.26Å; Y1210-H1222 HydrophobicContact CE1-CB 3.74Å; Y1210-H1222 HydrophobicContact CG-CB 4.19Å; H1222-Q1224 PolarHBondContact O-N 2.89Å; H1222-L1225 WeakPolarHBondContact O-CB 3.41Å; H1222-L1225 PolarHBondContact O-N 3.16Å; H1222-R1226 PolarHBondContact CE1-NE 3.38Å; H1222-R1226 PolarHBondContact ND1-NE 3.43Å; H1222-R1226 PolarHBondContact NE2-NE 3.21Å; H1222-R1226 PolarHBondContact NE2-NH2 2.77Å; H1222-R1226 WeakPolarHBondContact O-CG 3.28Å; H1222-R1226 PolarHBondContact O-N 2.97Å |
| 1223 | S | 90.6 | Very high | 91.1 | Very high | 66 Ų | 66 | 87.5 Ų | 87.5 | 46% | 0.462 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.7 | -28.5 | 176.1 | 58.5 | 0 | 0 | 0 | 0 | 114 | K1221 Q1227 | K1221-S1223 PolarHBondContact O-N 3.11Å; K1221-S1223 VanDerWaalsContact O-N 3.09Å; S1223-Q1227 WeakPolarHBondContact O-CG 3.31Å; S1223-Q1227 PolarHBondContact O-N 3.15Å |
| 1224 | Q | 94.8 | Very high | 90.5 | Very high | 72 Ų | 72 | 88 Ų | 88 | 34% | 0.336 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.9 | -43.9 | 170.7 | -66 | 166.9 | -22.1 | 0 | 0 | 110 | F1219 K1221 H1222 R1226 Q1227 H1228 | F1219-Q1224 HydrophobicContact CB-CB 4.12Å; F1219-Q1224 HydrophobicContact CD1-CB 3.79Å; F1219-Q1224 HydrophobicContact CG-CB 4.2Å; K1221-Q1224 HydrophobicContact CB-CG 4.17Å; K1221-Q1224 VanDerWaalsContact N-OE1 3.07Å; K1221-Q1224 WeakPolarHBondContact O-CA 3.27Å; K1221-Q1224 WeakPolarHBondContact O-CB 3.17Å; K1221-Q1224 PolarHBondContact O-N 3.42Å; H1222-Q1224 PolarHBondContact O-N 2.89Å; Q1224-R1226 PolarHBondContact O-N 3.34Å; Q1224-Q1227 PolarHBondContact O-N 3.25Å; Q1224-H1228 WeakPolarHBondContact O-CB 3.31Å; Q1224-H1228 PolarHBondContact O-N 2.84Å |
| 1225 | L | 94.7 | Very high | 89.2 | Confident | 11 Ų | 11 | 84.2 Ų | 84.2 | 6% | 0.058 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56.1 | -48.6 | 173.6 | 173.3 | 61.2 | 0 | 0 | 0 | 112.1 | E1211 C1212 F1219 K1221 H1222 Q1227 H1228 K1229 | E1211-L1225 VanDerWaalsContact O-CD1 3.23Å; E1211-L1225 WeakPolarHBondContact O-CD1 3.3Å; E1211-L1225 WeakPolarHBondContact O-CD2 3.21Å; C1212-L1225 HydrophobicContact CB-CD1 3.57Å; F1219-L1225 HydrophobicContact CB-CB 4.27Å; F1219-L1225 HydrophobicContact CD2-CB 3.86Å; F1219-L1225 HydrophobicContact CD2-CD1 3.73Å; F1219-L1225 HydrophobicContact CD2-CG 4.42Å; F1219-L1225 HydrophobicContact CE2-CD1 3.94Å; F1219-L1225 HydrophobicContact CG-CB 4.22Å; K1221-L1225 PolarHBondContact O-N 2.88Å; K1221-L1225 VanDerWaalsContact O-N 3.15Å; H1222-L1225 WeakPolarHBondContact O-CB 3.41Å; H1222-L1225 PolarHBondContact O-N 3.16Å; L1225-Q1227 VanDerWaalsContact C-N 3.34Å; L1225-Q1227 PolarHBondContact O-N 3.24Å; L1225-H1228 WeakPolarHBondContact O-CB 3.49Å; L1225-H1228 PolarHBondContact O-N 2.95Å; L1225-H1228 VanDerWaalsContact O-N 3.11Å; L1225-K1229 HydrophobicContact CD1-CD 4.39Å; L1225-K1229 HydrophobicContact CD1-CG 4.17Å; L1225-K1229 PolarHBondContact O-N 3.14Å |
| 1226 | R | 92.1 | Very high | 86.7 | Confident | 164 Ų | 164 | 89.1 Ų | 89.1 | 62% | 0.619 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -58.9 | -43.9 | 175.6 | -70.9 | -176.9 | -163.7 | -144.7 | -1.9 | 112 | H1222 Q1224 H1228 K1229 F1230 | H1222-R1226 PolarHBondContact CE1-NE 3.38Å; H1222-R1226 PolarHBondContact ND1-NE 3.43Å; H1222-R1226 PolarHBondContact NE2-NE 3.21Å; H1222-R1226 PolarHBondContact NE2-NH2 2.77Å; H1222-R1226 WeakPolarHBondContact O-CG 3.28Å; H1222-R1226 PolarHBondContact O-N 2.97Å; Q1224-R1226 PolarHBondContact O-N 3.34Å; R1226-H1228 VanDerWaalsContact C-N 3.27Å; R1226-H1228 PolarHBondContact O-N 3.14Å; R1226-K1229 PolarHBondContact O-N 3.18Å; R1226-F1230 WeakPolarHBondContact O-CB 3.46Å; R1226-F1230 PolarHBondContact O-N 2.97Å |
| 1227 | Q | 92.4 | Very high | 84 | Confident | 111 Ų | 111 | 91.7 Ų | 91.7 | 52% | 0.519 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.3 | -29.6 | 176.7 | -75.9 | -176.6 | 31.5 | 0 | 0 | 113.1 | S1223 Q1224 L1225 K1231 | S1223-Q1227 WeakPolarHBondContact O-CG 3.31Å; S1223-Q1227 PolarHBondContact O-N 3.15Å; Q1224-Q1227 PolarHBondContact O-N 3.25Å; L1225-Q1227 VanDerWaalsContact C-N 3.34Å; L1225-Q1227 PolarHBondContact O-N 3.24Å; Q1227-K1231 VanDerWaalsContact O-CB 3.26Å; Q1227-K1231 WeakPolarHBondContact O-CB 3.46Å; Q1227-K1231 WeakPolarHBondContact O-CD 3.49Å; Q1227-K1231 WeakPolarHBondContact O-CG 3.42Å; Q1227-K1231 PolarHBondContact O-N 3.46Å |
| 1228 | H | 94.3 | Very high | 81.4 | Confident | 19 Ų | 19 | 88.5 Ų | 88.5 | 9% | 0.088 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -74.1 | -50.4 | 174.8 | 162.5 | 74.6 | 0 | 0 | 0 | 111.3 | C1212 C1215 F1219 Q1224 L1225 R1226 F1230 K1231 V1232 H1233 | C1212-H1228 WeakPolarHBondContact CB-NE2 3.2Å; C1212-H1228 PolarHBondContact SG-CD2 3.2Å; C1212-H1228 PolarHBondContact SG-NE2 2.99Å; C1215-H1228 PolarHBondContact SG-CE1 3.24Å; C1215-H1228 PolarHBondContact SG-NE2 3.04Å; F1219-H1228 HydrophobicContact CE1-CB 3.89Å; F1219-H1228 HydrophobicContact CE2-CB 3.82Å; F1219-H1228 AromaticContact CE2-CD2 3.42Å; F1219-H1228 VanDerWaalsContact CE2-CD2 3.42Å; F1219-H1228 WeakPolarHBondContact CE2-CD2 3.36Å; F1219-H1228 AromaticContact CE2-CG 3.59Å; F1219-H1228 HydrophobicContact CZ-CB 3.34Å; F1219-H1228 AromaticContact CZ-CD2 3.55Å; F1219-H1228 AromaticContact CZ-CG 3.2Å; F1219-H1228 AromaticContact CZ-ND1 3.7Å; Q1224-H1228 WeakPolarHBondContact O-CB 3.31Å; Q1224-H1228 PolarHBondContact O-N 2.84Å; L1225-H1228 WeakPolarHBondContact O-CB 3.49Å; L1225-H1228 PolarHBondContact O-N 2.95Å; L1225-H1228 VanDerWaalsContact O-N 3.11Å; R1226-H1228 VanDerWaalsContact C-N 3.27Å; R1226-H1228 PolarHBondContact O-N 3.14Å; H1228-F1230 VanDerWaalsContact C-N 3.3Å; H1228-F1230 PolarHBondContact O-N 3.32Å; H1228-K1231 PolarHBondContact O-N 3.33Å; H1228-V1232 WeakPolarHBondContact ND1-CG2 3.13Å; H1228-V1232 WeakPolarHBondContact O-CB 3.23Å; H1228-V1232 PolarHBondContact O-N 3.15Å; H1228-H1233 AromaticContact CE1-NE2 3.92Å; H1228-H1233 AromaticContact NE2-CD2 3.8Å; H1228-H1233 AromaticContact NE2-NE2 3.43Å; H1228-H1233 PolarHBondContact NE2-NE2 3.49Å |
| 1229 | K | 90.4 | Very high | 78.8 | Confident | 56 Ų | 56 | 92 Ų | 92 | 24% | 0.243 | 45% | 0.451 | C | S | . | . | I | π-helix | trans | -50.6 | -49.9 | 174.5 | -75 | -171.7 | 178.2 | -176.3 | 0 | 111.1 | D1213 L1225 R1226 K1231 H1233 E1234 | D1213-K1229 IonicContact OD1-NZ 2.76Å; D1213-K1229 PolarHBondContact OD1-NZ 3.13Å; D1213-K1229 IonicContact OD2-NZ 2.73Å; D1213-K1229 PolarHBondContact OD2-NZ 2.93Å; L1225-K1229 HydrophobicContact CD1-CD 4.39Å; L1225-K1229 HydrophobicContact CD1-CG 4.17Å; L1225-K1229 PolarHBondContact O-N 3.14Å; R1226-K1229 PolarHBondContact O-N 3.18Å; K1229-K1231 PolarHBondContact O-N 2.97Å; K1229-H1233 WeakPolarHBondContact O-CB 3.33Å; K1229-H1233 PolarHBondContact O-N 3.32Å; K1229-E1234 PolarHBondContact O-N 2.98Å |
| 1230 | F | 90.2 | Very high | 75.9 | Confident | 142 Ų | 142 | 98.5 Ų | 98.5 | 62% | 0.623 | 49% | 0.485 | S | S | * | . | I | π-helix | trans | -61.4 | -40.3 | 176.8 | -175.7 | -94.2 | 0 | 0 | 0 | 114.4 | R1226 H1228 E1234 | R1226-F1230 WeakPolarHBondContact O-CB 3.46Å; R1226-F1230 PolarHBondContact O-N 2.97Å; H1228-F1230 VanDerWaalsContact C-N 3.3Å; H1228-F1230 PolarHBondContact O-N 3.32Å; F1230-E1234 WeakPolarHBondContact CA-OE2 3.38Å; F1230-E1234 VanDerWaalsContact CD2-OE2 3.28Å; F1230-E1234 WeakPolarHBondContact CD2-OE2 3.36Å |
| 1231 | K | 89.3 | Confident | 73.2 | Confident | 132 Ų | 132 | 102.9 Ų | 102.9 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | I | π-helix | trans | -85.6 | -24.9 | -174.6 | -75.7 | 174.5 | -174.1 | 166.1 | 0 | 115.2 | Q1227 H1228 K1229 S1235 | Q1227-K1231 VanDerWaalsContact O-CB 3.26Å; Q1227-K1231 WeakPolarHBondContact O-CB 3.46Å; Q1227-K1231 WeakPolarHBondContact O-CD 3.49Å; Q1227-K1231 WeakPolarHBondContact O-CG 3.42Å; Q1227-K1231 PolarHBondContact O-N 3.46Å; H1228-K1231 PolarHBondContact O-N 3.33Å; K1229-K1231 PolarHBondContact O-N 2.97Å; K1231-S1235 PolarHBondContact O-OG 3.24Å; K1231-S1235 VanDerWaalsContact O-OG 3.11Å |
| 1232 | V | 86.9 | Confident | 70.4 | Confident | 80 Ų | 80 | 106.5 Ų | 106.5 | 49% | 0.485 | 54% | 0.536 | S | S | . | . | I | π-helix | trans | -112.8 | -34.8 | -170 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | H1228 | H1228-V1232 WeakPolarHBondContact ND1-CG2 3.13Å; H1228-V1232 WeakPolarHBondContact O-CB 3.23Å; H1228-V1232 PolarHBondContact O-N 3.15Å |
| 1233 | H | 87.1 | Confident | 67.5 | Low | 52 Ų | 52 | 108.6 Ų | 108.6 | 24% | 0.241 | 55% | 0.554 | C | S | . | * | I | π-helix | trans | -108.3 | -22.6 | -175 | -62.7 | -65.1 | 0 | 0 | 0 | 114.4 | C1212 K1214 C1215 H1228 K1229 | C1212-H1233 VanDerWaalsContact SG-CD2 3.58Å; C1212-H1233 PolarHBondContact SG-NE2 3.16Å; K1214-H1233 WeakPolarHBondContact CB-CE1 3.25Å; K1214-H1233 WeakPolarHBondContact CB-ND1 3.36Å; K1214-H1233 HydrophobicContact CD-CB 3.7Å; K1214-H1233 PolarHBondContact O-CE1 2.9Å; K1214-H1233 VanDerWaalsContact O-CE1 3.29Å; C1215-H1233 PolarHBondContact SG-NE2 3.5Å; H1228-H1233 AromaticContact CE1-NE2 3.92Å; H1228-H1233 AromaticContact NE2-CD2 3.8Å; H1228-H1233 AromaticContact NE2-NE2 3.43Å; H1228-H1233 PolarHBondContact NE2-NE2 3.49Å; K1229-H1233 WeakPolarHBondContact O-CB 3.33Å; K1229-H1233 PolarHBondContact O-N 3.32Å |
| 1234 | E | 78.8 | Confident | 65.2 | Low | 124 Ų | 124 | 110.5 Ų | 110.5 | 58% | 0.579 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -100.8 | -3.5 | 179.9 | -63.4 | 178.2 | 164.9 | 0 | 0 | 113.3 | K1229 F1230 N1236 | K1229-E1234 PolarHBondContact O-N 2.98Å; F1230-E1234 WeakPolarHBondContact CA-OE2 3.38Å; F1230-E1234 VanDerWaalsContact CD2-OE2 3.28Å; F1230-E1234 WeakPolarHBondContact CD2-OE2 3.36Å; E1234-N1236 PolarHBondContact O-N 3.12Å |
| 1235 | S | 60.1 | Low | 62.6 | Low | 58 Ų | 58 | 116.4 Ų | 116.4 | 41% | 0.406 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | -8.1 | -170.6 | 50 | 0 | 0 | 0 | 0 | 116.2 | K1231 | K1231-S1235 PolarHBondContact O-OG 3.24Å; K1231-S1235 VanDerWaalsContact O-OG 3.11Å |
| 1236 | N | 41.7 | Very low | 59.9 | Low | 149 Ų | 149 | 123 Ų | 123 | 80% | 0.797 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -1.3 | -171.1 | -94.4 | 8.3 | 0 | 0 | 0 | 116.7 | E1234 S1238 | E1234-N1236 PolarHBondContact O-N 3.12Å; N1236-S1238 PolarHBondContact O-N 3.17Å |
| 1237 | M | 32.1 | Very low | 57.3 | Low | 182 Ų | 182 | 125 Ų | 125 | 90% | 0.897 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 58.3 | 176 | -80.2 | -71.9 | 177.8 | 0 | 0 | 112.9 | ||
| 1238 | S | 39.6 | Very low | 54.7 | Low | 102 Ų | 102 | 123.2 Ų | 123.2 | 71% | 0.713 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145 | 20.3 | 177.3 | 55 | 0 | 0 | 0 | 0 | 115.9 | N1236 | N1236-S1238 PolarHBondContact O-N 3.17Š|
| 1239 | K | 35.2 | Very low | 52 | Low | 200 Ų | 200 | 127.4 Ų | 127.4 | 87% | 0.87 | 66% | 0.66 | S | S | * | * | trans | -132.9 | 53.6 | 174 | -73.5 | -169.2 | 174.6 | -173.8 | 0 | 113.7 | ||||
| 1240 | I | 34 | Very low | 49.8 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 86% | 0.856 | 68% | 0.68 | S | S | * | * | trans | -132.6 | 135.5 | 157 | -61.4 | -176.5 | 0 | 0 | 0 | 108.1 | ||||
| 1241 | V | 32.3 | Very low | 47.9 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -87 | 151.4 | -174 | 168.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1242 | L | 30.6 | Very low | 45.9 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | trans | 60.5 | 109.5 | 168.4 | -73.7 | 161.2 | 0 | 0 | 0 | 118.7 | ||||
| 1243 | T | 31.1 | Very low | 44.8 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 76% | 0.761 | 69% | 0.687 | S | S | * | * | 167.1 | 160.8 | 105.8 | 44.1 | 0 | 0 | 0 | 0 | 111.4 | K1245 | T1243-K1245 VanDerWaalsContact C-N 3.31Å; T1243-K1245 PolarHBondContact O-N 3.15Å | |||
| 1244 | S | 41.4 | Very low | 44.7 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -66.4 | -15.6 | -163.9 | 50.3 | 0 | 0 | 0 | 0 | 116.6 | K1246 K1247 | S1244-K1246 PolarHBondContact O-N 3.36Å; S1244-K1246 VanDerWaalsContact O-N 3.11Å; S1244-K1247 PolarHBondContact O-N 2.81Å |
| 1245 | K | 39.3 | Very low | 45.1 | Very low | 197 Ų | 197 | 131.4 Ų | 131.4 | 86% | 0.857 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -65.5 | -13.1 | -173.7 | -90.5 | -178.2 | 174.6 | 176 | 0 | 115.6 | T1243 | T1243-K1245 VanDerWaalsContact C-N 3.31Å; T1243-K1245 PolarHBondContact O-N 3.15Å |
| 1246 | K | 38.2 | Very low | 46.3 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 65% | 0.652 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -94.2 | 14.6 | 176.1 | -89.9 | -171.7 | -179.1 | 174.7 | 0 | 116.9 | S1244 A1248 L1249 | S1244-K1246 PolarHBondContact O-N 3.36Å; S1244-K1246 VanDerWaalsContact O-N 3.11Å; K1246-A1248 PolarHBondContact O-N 3.02Å; K1246-A1248 VanDerWaalsContact O-N 3.12Å; K1246-L1249 HydrophobicContact CD-CB 4.29Å; K1246-L1249 HydrophobicContact CD-CD2 4.44Å; K1246-L1249 HydrophobicContact CG-CB 4.06Å; K1246-L1249 PolarHBondContact O-N 3.42Å; K1246-L1249 VanDerWaalsContact O-N 3.13Å |
| 1247 | K | 38.3 | Very low | 48.4 | Very low | 204 Ų | 204 | 128.6 Ų | 128.6 | 89% | 0.887 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -52.2 | -27.3 | 157.7 | -90.9 | -177.8 | 175.7 | 177 | 0 | 112.2 | S1244 | S1244-K1247 PolarHBondContact O-N 2.81Š|
| 1248 | A | 38.8 | Very low | 50.6 | Low | 74 Ų | 74 | 123.8 Ų | 123.8 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -80.6 | -11.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | K1246 | K1246-A1248 PolarHBondContact O-N 3.02Å; K1246-A1248 VanDerWaalsContact O-N 3.12Å |
| 1249 | L | 36.4 | Very low | 52.7 | Low | 107 Ų | 107 | 121.8 Ų | 121.8 | 56% | 0.56 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -109.6 | 9.5 | -172.9 | -138.6 | 83.4 | 0 | 0 | 0 | 115.9 | K1246 K1251 | K1246-L1249 HydrophobicContact CD-CB 4.29Å; K1246-L1249 HydrophobicContact CD-CD2 4.44Å; K1246-L1249 HydrophobicContact CG-CB 4.06Å; K1246-L1249 PolarHBondContact O-N 3.42Å; K1246-L1249 VanDerWaalsContact O-N 3.13Å; L1249-K1251 PolarHBondContact O-N 3.27Å |
| 1250 | M | 44.6 | Very low | 54.9 | Low | 134 Ų | 134 | 114.7 Ų | 114.7 | 66% | 0.66 | 61% | 0.606 | S | S | * | * | trans | -77.1 | 50.1 | 160.6 | -75.5 | -146.7 | 175.9 | 0 | 0 | 111.9 | H1252 A1253 F1255 | M1250-H1252 PolarHBondContact O-N 3.29Å; M1250-A1253 HydrophobicContact CB-CB 4.21Å; M1250-A1253 PolarHBondContact O-N 2.89Å; M1250-A1253 VanDerWaalsContact O-N 3.09Å; M1250-A1253 HydrophobicContact SD-CB 4.27Å; M1250-F1255 HydrophobicContact SD-CZ 4.41Å | ||
| 1251 | K | 49.3 | Very low | 57.4 | Low | 167 Ų | 167 | 109.3 Ų | 109.3 | 73% | 0.726 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -0.5 | -170.6 | -88.4 | -173 | 173.7 | -179.8 | 0 | 116.4 | L1249 | L1249-K1251 PolarHBondContact O-N 3.27Š|
| 1252 | H | 48.8 | Very low | 59.9 | Low | 174 Ų | 174 | 106 Ų | 106 | 81% | 0.806 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 7.5 | 175.3 | -62.4 | -41.8 | 0 | 0 | 0 | 115.4 | M1250 L1254 | M1250-H1252 PolarHBondContact O-N 3.29Å; H1252-L1254 PolarHBondContact O-N 2.84Å |
| 1253 | A | 63.4 | Low | 62.8 | Low | 36 Ų | 36 | 101 Ų | 101 | 30% | 0.298 | 54% | 0.544 | S | S | . | . | trans | -82.7 | 109.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | M1250 F1255 | M1250-A1253 HydrophobicContact CB-CB 4.21Å; M1250-A1253 PolarHBondContact O-N 2.89Å; M1250-A1253 VanDerWaalsContact O-N 3.09Å; M1250-A1253 HydrophobicContact SD-CB 4.27Å; A1253-F1255 HydrophobicContact CB-CD2 4.17Å; A1253-F1255 HydrophobicContact CB-CE1 4.32Å; A1253-F1255 HydrophobicContact CB-CE2 3.4Å; A1253-F1255 VanDerWaalsContact CB-CE2 3.4Å; A1253-F1255 HydrophobicContact CB-CZ 3.5Å; A1253-F1255 VanDerWaalsContact CB-CZ 3.5Å; A1253-F1255 WeakPolarHBondContact O-CD2 3.44Å; A1253-F1255 WeakPolarHBondContact O-CE2 3.2Å; A1253-F1255 PolarHBondContact O-N 3.16Å | ||
| 1254 | L | 84.2 | Confident | 65.3 | Low | 53 Ų | 53 | 100.8 Ų | 100.8 | 28% | 0.277 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 93.7 | -177.5 | -74.8 | 163.7 | 0 | 0 | 0 | 108.9 | H1252 F1263 R1266 L1269 | H1252-L1254 PolarHBondContact O-N 2.84Å; L1254-F1263 PolarHBondContact N-O 3.2Å; L1254-F1263 VanDerWaalsContact N-O 3.09Å; L1254-F1263 WeakPolarHBondContact O-CB 3.32Å; L1254-F1263 WeakPolarHBondContact O-CD2 3.46Å; L1254-F1263 PolarHBondContact O-N 3.38Å; L1254-R1266 HydrophobicContact CD1-CB 3.87Å; L1254-L1269 HydrophobicContact CB-CB 4.23Å; L1254-L1269 HydrophobicContact CB-CD2 3.84Å; L1254-L1269 HydrophobicContact CD2-CD2 4.35Å |
| 1255 | F | 88.5 | Confident | 67.4 | Low | 107 Ų | 107 | 97.7 Ų | 97.7 | 47% | 0.469 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 149.8 | -177.8 | -61.2 | -80.3 | 0 | 0 | 0 | 112.9 | M1250 A1253 G1260 S1261 L1269 | M1250-F1255 HydrophobicContact SD-CZ 4.41Å; A1253-F1255 HydrophobicContact CB-CD2 4.17Å; A1253-F1255 HydrophobicContact CB-CE1 4.32Å; A1253-F1255 HydrophobicContact CB-CE2 3.4Å; A1253-F1255 VanDerWaalsContact CB-CE2 3.4Å; A1253-F1255 HydrophobicContact CB-CZ 3.5Å; A1253-F1255 VanDerWaalsContact CB-CZ 3.5Å; A1253-F1255 WeakPolarHBondContact O-CD2 3.44Å; A1253-F1255 WeakPolarHBondContact O-CE2 3.2Å; A1253-F1255 PolarHBondContact O-N 3.16Å; F1255-G1260 WeakPolarHBondContact CD1-O 3.48Å; F1255-S1261 CarbonylContact C-O 3.41Å; F1255-S1261 WeakPolarHBondContact CA-O 3.46Å; F1255-L1269 WeakPolarHBondContact O-CD1 3.3Å; F1255-L1269 WeakPolarHBondContact O-CD2 3.33Å |
| 1256 | C | 85.1 | Confident | 69.8 | Low | 3 Ų | 3 | 96 Ų | 96 | 2% | 0.02 | 51% | 0.514 | C | S | . | . | trans | -80.2 | 124.5 | 168.9 | -170.4 | 0 | 0 | 0 | 0 | 111.1 | L1258 C1259 G1260 S1261 F1263 L1269 H1272 | C1256-L1258 PolarHBondContact O-N 3.03Å; C1256-L1258 PolarHBondContact SG-N 2.9Å; C1256-C1259 PolarHBondContact O-N 3.33Å; C1256-G1260 VanDerWaalsContact O-CA 3.3Å; C1256-G1260 WeakPolarHBondContact O-CA 3.09Å; C1256-G1260 PolarHBondContact O-N 3.15Å; C1256-S1261 PolarHBondContact N-O 3.39Å; C1256-F1263 HydrophobicContact CB-CE2 4.1Å; C1256-L1269 HydrophobicContact CB-CD1 3.93Å; C1256-H1272 VanDerWaalsContact CB-CD2 3.42Å; C1256-H1272 WeakPolarHBondContact CB-CD2 3.36Å; C1256-H1272 WeakPolarHBondContact CB-NE2 3.39Å; C1256-H1272 PolarHBondContact SG-CD2 3.04Å; C1256-H1272 PolarHBondContact SG-NE2 2.88Å | ||
| 1257 | H | 85.1 | Confident | 71.9 | Confident | 145 Ų | 145 | 93.4 Ų | 93.4 | 67% | 0.671 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -15.3 | 173.4 | 56.4 | -82.9 | 0 | 0 | 0 | 113.4 | ||
| 1258 | L | 77.8 | Confident | 74.3 | Confident | 80 Ų | 80 | 85.9 Ų | 85.9 | 42% | 0.419 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -7.1 | -176.4 | -57.8 | 168.7 | 0 | 0 | 0 | 114.2 | C1256 V1273 H1276 T1277 | C1256-L1258 PolarHBondContact O-N 3.03Å; C1256-L1258 PolarHBondContact SG-N 2.9Å; L1258-V1273 HydrophobicContact CD1-CG1 4.35Å; L1258-H1276 HydrophobicContact CB-CB 3.87Å; L1258-H1276 HydrophobicContact CD1-CB 3.38Å; L1258-H1276 HydrophobicContact CG-CB 4.22Å; L1258-T1277 HydrophobicContact CD1-CG2 3.99Å |
| 1259 | C | 85.1 | Confident | 76.7 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 41% | 0.412 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -157 | 7.1 | 172.1 | 70.5 | 0 | 0 | 0 | 0 | 116.3 | C1256 S1261 H1272 H1276 | C1256-C1259 PolarHBondContact O-N 3.33Å; C1259-S1261 PolarHBondContact O-N 3.3Å; C1259-S1261 VanDerWaalsContact O-N 3.07Å; C1259-S1261 VanDerWaalsContact SG-CB 3.53Å; C1259-S1261 PolarHBondContact SG-OG 3.14Å; C1259-H1272 PolarHBondContact SG-CE1 2.88Å; C1259-H1272 PolarHBondContact SG-NE2 3.04Å; C1259-H1276 PolarHBondContact SG-NE2 3.41Å |
| 1260 | G | 81.5 | Confident | 79 | Confident | 51 Ų | 51 | 85.7 Ų | 85.7 | 53% | 0.526 | 47% | 0.466 | S | S | . | . | trans | 69.5 | -0.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116 | F1255 C1256 G1262 | F1255-G1260 WeakPolarHBondContact CD1-O 3.48Å; C1256-G1260 VanDerWaalsContact O-CA 3.3Å; C1256-G1260 WeakPolarHBondContact O-CA 3.09Å; C1256-G1260 PolarHBondContact O-N 3.15Å; G1260-G1262 PolarHBondContact O-N 3.05Å | ||
| 1261 | S | 85.3 | Confident | 80.6 | Confident | 54 Ų | 54 | 82 Ų | 82 | 38% | 0.378 | 45% | 0.449 | S | S | . | . | trans | -62.5 | 131.3 | 179.6 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | F1255 C1256 C1259 F1263 | F1255-S1261 CarbonylContact C-O 3.41Å; F1255-S1261 WeakPolarHBondContact CA-O 3.46Å; C1256-S1261 PolarHBondContact N-O 3.39Å; C1259-S1261 PolarHBondContact O-N 3.3Å; C1259-S1261 VanDerWaalsContact O-N 3.07Å; C1259-S1261 VanDerWaalsContact SG-CB 3.53Å; C1259-S1261 PolarHBondContact SG-OG 3.14Å; S1261-F1263 VanDerWaalsContact O-CD2 3.23Å; S1261-F1263 WeakPolarHBondContact O-CD2 3.26Å; S1261-F1263 WeakPolarHBondContact O-CE2 3.38Å | ||
| 1262 | G | 85 | Confident | 82.4 | Confident | 49 Ų | 49 | 75.4 Ų | 75.4 | 51% | 0.505 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 135.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1260 | G1260-G1262 PolarHBondContact O-N 3.05Å |
| 1263 | F | 91.2 | Very high | 84.1 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 20% | 0.202 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.9 | 180 | -62.3 | -84.9 | 0 | 0 | 0 | 113 | L1254 C1256 S1261 S1265 L1269 H1272 | L1254-F1263 PolarHBondContact N-O 3.2Å; L1254-F1263 VanDerWaalsContact N-O 3.09Å; L1254-F1263 WeakPolarHBondContact O-CB 3.32Å; L1254-F1263 WeakPolarHBondContact O-CD2 3.46Å; L1254-F1263 PolarHBondContact O-N 3.38Å; C1256-F1263 HydrophobicContact CB-CE2 4.1Å; S1261-F1263 VanDerWaalsContact O-CD2 3.23Å; S1261-F1263 WeakPolarHBondContact O-CD2 3.26Å; S1261-F1263 WeakPolarHBondContact O-CE2 3.38Å; F1263-S1265 VanDerWaalsContact C-N 3.31Å; F1263-S1265 PolarHBondContact O-N 3.23Å; F1263-L1269 HydrophobicContact CB-CB 4.04Å; F1263-L1269 HydrophobicContact CD2-CB 4.17Å; F1263-L1269 HydrophobicContact CD2-CD1 3.81Å; F1263-L1269 HydrophobicContact CE2-CD1 4.29Å; F1263-L1269 HydrophobicContact CG-CB 4.22Å; F1263-H1272 HydrophobicContact CD1-CB 4.48Å; F1263-H1272 HydrophobicContact CE1-CB 3.72Å; F1263-H1272 AromaticContact CE1-CG 3.86Å; F1263-H1272 HydrophobicContact CE2-CB 3.99Å; F1263-H1272 AromaticContact CE2-CD2 3.14Å; F1263-H1272 WeakPolarHBondContact CE2-CD2 3.3Å; F1263-H1272 AromaticContact CE2-CG 3.55Å; F1263-H1272 AromaticContact CE2-NE2 3.6Å; F1263-H1272 HydrophobicContact CZ-CB 3.47Å; F1263-H1272 VanDerWaalsContact CZ-CB 3.47Å; F1263-H1272 AromaticContact CZ-CD2 3.24Å; F1263-H1272 WeakPolarHBondContact CZ-CD2 3.36Å; F1263-H1272 AromaticContact CZ-CE1 3.81Å; F1263-H1272 AromaticContact CZ-CG 3.1Å; F1263-H1272 AromaticContact CZ-ND1 3.51Å; F1263-H1272 AromaticContact CZ-NE2 3.65Å |
| 1264 | S | 85.2 | Confident | 84.9 | Confident | 119 Ų | 119 | 71 Ų | 71 | 83% | 0.832 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -81.6 | 0.4 | 179 | 60.3 | 0 | 0 | 0 | 0 | 115 | ||
| 1265 | S | 85.1 | Confident | 84.5 | Confident | 40 Ų | 40 | 73.5 Ų | 73.5 | 28% | 0.28 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -157.9 | 151.6 | 175.8 | 83.2 | 0 | 0 | 0 | 0 | 112.5 | F1263 S1267 S1268 L1269 | F1263-S1265 VanDerWaalsContact C-N 3.31Å; F1263-S1265 PolarHBondContact O-N 3.23Å; S1265-S1267 PolarHBondContact O-N 2.76Å; S1265-S1268 PolarHBondContact O-N 2.77Å; S1265-S1268 VanDerWaalsContact O-N 3.11Å; S1265-S1268 WeakPolarHBondContact OG-CB 3.22Å; S1265-S1268 PolarHBondContact OG-N 3.42Å; S1265-S1268 PolarHBondContact OG-OG 2.74Å; S1265-L1269 PolarHBondContact O-N 2.99Å |
| 1266 | R | 88.2 | Confident | 83.9 | Confident | 162 Ų | 162 | 72.3 Ų | 72.3 | 61% | 0.611 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.5 | -27.6 | 177.5 | -161.5 | 172.5 | -179.1 | 113.8 | -6.2 | 112.1 | L1254 R1270 | L1254-R1266 HydrophobicContact CD1-CB 3.87Å; R1266-R1270 VanDerWaalsContact O-CB 3.28Å; R1266-R1270 WeakPolarHBondContact O-CB 3.21Å; R1266-R1270 VanDerWaalsContact O-CG 3.29Å; R1266-R1270 WeakPolarHBondContact O-CG 3.09Å; R1266-R1270 PolarHBondContact O-N 3.06Å |
| 1267 | S | 83.5 | Confident | 83.3 | Confident | 95 Ų | 95 | 75.5 Ų | 75.5 | 66% | 0.664 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -69.7 | -42.6 | 172.9 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | S1265 L1271 | S1265-S1267 PolarHBondContact O-N 2.76Å; S1267-L1271 VanDerWaalsContact O-CB 3.3Å; S1267-L1271 WeakPolarHBondContact O-CB 3.32Å; S1267-L1271 PolarHBondContact O-N 3.44Å |
| 1268 | S | 87.3 | Confident | 82 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 33% | 0.329 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 175.5 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | S1265 L1271 H1272 | S1265-S1268 PolarHBondContact O-N 2.77Å; S1265-S1268 VanDerWaalsContact O-N 3.11Å; S1265-S1268 WeakPolarHBondContact OG-CB 3.22Å; S1265-S1268 PolarHBondContact OG-N 3.42Å; S1265-S1268 PolarHBondContact OG-OG 2.74Å; S1268-L1271 PolarHBondContact O-N 3.3Å; S1268-H1272 WeakPolarHBondContact O-CB 3.5Å; S1268-H1272 PolarHBondContact O-N 3.48Å |
| 1269 | L | 90.3 | Very high | 80.9 | Confident | 25 Ų | 25 | 71 Ų | 71 | 13% | 0.131 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.8 | -52.9 | 174.6 | 172.6 | 59 | 0 | 0 | 0 | 111.1 | L1254 F1255 C1256 F1263 S1265 L1271 H1272 V1273 | L1254-L1269 HydrophobicContact CB-CB 4.23Å; L1254-L1269 HydrophobicContact CB-CD2 3.84Å; L1254-L1269 HydrophobicContact CD2-CD2 4.35Å; F1255-L1269 WeakPolarHBondContact O-CD1 3.3Å; F1255-L1269 WeakPolarHBondContact O-CD2 3.33Å; C1256-L1269 HydrophobicContact CB-CD1 3.93Å; F1263-L1269 HydrophobicContact CB-CB 4.04Å; F1263-L1269 HydrophobicContact CD2-CB 4.17Å; F1263-L1269 HydrophobicContact CD2-CD1 3.81Å; F1263-L1269 HydrophobicContact CE2-CD1 4.29Å; F1263-L1269 HydrophobicContact CG-CB 4.22Å; S1265-L1269 PolarHBondContact O-N 2.99Å; L1269-L1271 VanDerWaalsContact C-N 3.29Å; L1269-L1271 PolarHBondContact O-N 3.42Å; L1269-H1272 PolarHBondContact O-N 3.4Å; L1269-H1272 VanDerWaalsContact O-N 3.09Å; L1269-V1273 HydrophobicContact CD1-CG2 3.77Å; L1269-V1273 HydrophobicContact CG-CG2 4.27Å; L1269-V1273 WeakPolarHBondContact O-CG2 3.22Å; L1269-V1273 PolarHBondContact O-N 2.95Å |
| 1270 | R | 84.6 | Confident | 79.5 | Confident | 151 Ų | 151 | 79.7 Ų | 79.7 | 57% | 0.57 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -56.9 | -42 | 177.9 | -81.7 | 177.7 | 169.6 | 176.3 | -3.8 | 112.2 | R1266 H1272 V1273 R1274 | R1266-R1270 VanDerWaalsContact O-CB 3.28Å; R1266-R1270 WeakPolarHBondContact O-CB 3.21Å; R1266-R1270 VanDerWaalsContact O-CG 3.29Å; R1266-R1270 WeakPolarHBondContact O-CG 3.09Å; R1266-R1270 PolarHBondContact O-N 3.06Å; R1270-H1272 VanDerWaalsContact C-N 3.32Å; R1270-H1272 PolarHBondContact O-N 3.31Å; R1270-V1273 PolarHBondContact O-N 2.96Å; R1270-R1274 WeakPolarHBondContact O-CG 3.44Å; R1270-R1274 PolarHBondContact O-N 2.71Å; R1270-R1274 VanDerWaalsContact O-N 3.16Å |
| 1271 | L | 78.5 | Confident | 78.5 | Confident | 56 Ų | 56 | 78.3 Ų | 78.3 | 29% | 0.293 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 177.8 | 176.4 | 59.9 | 0 | 0 | 0 | 112.1 | S1267 S1268 L1269 H1292 | S1267-L1271 VanDerWaalsContact O-CB 3.3Å; S1267-L1271 WeakPolarHBondContact O-CB 3.32Å; S1267-L1271 PolarHBondContact O-N 3.44Å; S1268-L1271 PolarHBondContact O-N 3.3Å; L1269-L1271 VanDerWaalsContact C-N 3.29Å; L1269-L1271 PolarHBondContact O-N 3.42Å; L1271-H1292 WeakPolarHBondContact CD1-O 3.45Å; L1271-H1292 HydrophobicContact CD2-CB 4.46Å; L1271-H1292 WeakPolarHBondContact CD2-O 3.4Å |
| 1272 | H | 87.5 | Confident | 78 | Confident | 29 Ų | 29 | 79.6 Ų | 79.6 | 13% | 0.134 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -75.2 | -38.5 | 177.5 | 163.3 | 82.1 | 0 | 0 | 0 | 112.7 | C1256 C1259 F1263 S1268 L1269 R1270 R1274 L1275 H1276 | C1256-H1272 VanDerWaalsContact CB-CD2 3.42Å; C1256-H1272 WeakPolarHBondContact CB-CD2 3.36Å; C1256-H1272 WeakPolarHBondContact CB-NE2 3.39Å; C1256-H1272 PolarHBondContact SG-CD2 3.04Å; C1256-H1272 PolarHBondContact SG-NE2 2.88Å; C1259-H1272 PolarHBondContact SG-CE1 2.88Å; C1259-H1272 PolarHBondContact SG-NE2 3.04Å; F1263-H1272 HydrophobicContact CD1-CB 4.48Å; F1263-H1272 HydrophobicContact CE1-CB 3.72Å; F1263-H1272 AromaticContact CE1-CG 3.86Å; F1263-H1272 HydrophobicContact CE2-CB 3.99Å; F1263-H1272 AromaticContact CE2-CD2 3.14Å; F1263-H1272 WeakPolarHBondContact CE2-CD2 3.3Å; F1263-H1272 AromaticContact CE2-CG 3.55Å; F1263-H1272 AromaticContact CE2-NE2 3.6Å; F1263-H1272 HydrophobicContact CZ-CB 3.47Å; F1263-H1272 VanDerWaalsContact CZ-CB 3.47Å; F1263-H1272 AromaticContact CZ-CD2 3.24Å; F1263-H1272 WeakPolarHBondContact CZ-CD2 3.36Å; F1263-H1272 AromaticContact CZ-CE1 3.81Å; F1263-H1272 AromaticContact CZ-CG 3.1Å; F1263-H1272 AromaticContact CZ-ND1 3.51Å; F1263-H1272 AromaticContact CZ-NE2 3.65Å; S1268-H1272 WeakPolarHBondContact O-CB 3.5Å; S1268-H1272 PolarHBondContact O-N 3.48Å; L1269-H1272 PolarHBondContact O-N 3.4Å; L1269-H1272 VanDerWaalsContact O-N 3.09Å; R1270-H1272 VanDerWaalsContact C-N 3.32Å; R1270-H1272 PolarHBondContact O-N 3.31Å; H1272-R1274 PolarHBondContact O-N 3.34Å; H1272-L1275 WeakPolarHBondContact O-CA 3.3Å; H1272-L1275 VanDerWaalsContact O-CB 3.26Å; H1272-L1275 WeakPolarHBondContact O-CB 3.27Å; H1272-L1275 PolarHBondContact O-N 2.79Å; H1272-H1276 AromaticContact CE1-CD2 3.7Å; H1272-H1276 AromaticContact CE1-NE2 3.3Å; H1272-H1276 PolarHBondContact CE1-NE2 2.78Å; H1272-H1276 VanDerWaalsContact CE1-NE2 3.3Å; H1272-H1276 AromaticContact NE2-CD2 3.59Å; H1272-H1276 AromaticContact NE2-NE2 3.37Å; H1272-H1276 PolarHBondContact NE2-NE2 3.14Å; H1272-H1276 PolarHBondContact O-N 2.76Å |
| 1273 | V | 82.9 | Confident | 77.4 | Confident | 25 Ų | 25 | 78.7 Ų | 78.7 | 15% | 0.152 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.3 | -39.4 | 172 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | L1258 L1269 R1270 L1275 H1276 T1277 | L1258-V1273 HydrophobicContact CD1-CG1 4.35Å; L1269-V1273 HydrophobicContact CD1-CG2 3.77Å; L1269-V1273 HydrophobicContact CG-CG2 4.27Å; L1269-V1273 WeakPolarHBondContact O-CG2 3.22Å; L1269-V1273 PolarHBondContact O-N 2.95Å; R1270-V1273 PolarHBondContact O-N 2.96Å; V1273-L1275 PolarHBondContact O-N 3.36Å; V1273-L1275 VanDerWaalsContact O-N 3.15Å; V1273-H1276 WeakPolarHBondContact O-CB 3.3Å; V1273-H1276 PolarHBondContact O-N 3.03Å; V1273-T1277 HydrophobicContact CG1-CG2 4.02Å; V1273-T1277 PolarHBondContact O-N 3.28Å; V1273-T1277 PolarHBondContact O-OG1 3.23Å |
| 1274 | R | 81.1 | Confident | 76.8 | Confident | 94 Ų | 94 | 76.5 Ų | 76.5 | 36% | 0.355 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.6 | -21.2 | 173 | -68.6 | 178.2 | -163.8 | 169.2 | 2.5 | 114.6 | R1270 H1272 T1277 T1279 Y1282 | R1270-R1274 WeakPolarHBondContact O-CG 3.44Å; R1270-R1274 PolarHBondContact O-N 2.71Å; R1270-R1274 VanDerWaalsContact O-N 3.16Å; H1272-R1274 PolarHBondContact O-N 3.34Å; R1274-T1277 WeakPolarHBondContact CA-OG1 3.48Å; R1274-T1279 WeakPolarHBondContact CG-OG1 3.48Å; R1274-Y1282 PolarHBondContact NH1-OH 3.28Å |
| 1275 | L | 75.5 | Confident | 76.3 | Confident | 105 Ų | 105 | 74.7 Ų | 74.7 | 55% | 0.55 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -78.9 | -26.9 | 174.3 | -58 | 175.5 | 0 | 0 | 0 | 111.9 | H1272 V1273 | H1272-L1275 WeakPolarHBondContact O-CA 3.3Å; H1272-L1275 VanDerWaalsContact O-CB 3.26Å; H1272-L1275 WeakPolarHBondContact O-CB 3.27Å; H1272-L1275 PolarHBondContact O-N 2.79Å; V1273-L1275 PolarHBondContact O-N 3.36Å; V1273-L1275 VanDerWaalsContact O-N 3.15Å |
| 1276 | H | 76.2 | Confident | 76.1 | Confident | 81 Ų | 81 | 77.5 Ų | 77.5 | 38% | 0.375 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -79.8 | -48.1 | 171.8 | -76.7 | -80.5 | 0 | 0 | 0 | 112 | L1258 C1259 H1272 V1273 G1278 | L1258-H1276 HydrophobicContact CB-CB 3.87Å; L1258-H1276 HydrophobicContact CD1-CB 3.38Å; L1258-H1276 HydrophobicContact CG-CB 4.22Å; C1259-H1276 PolarHBondContact SG-NE2 3.41Å; H1272-H1276 AromaticContact CE1-CD2 3.7Å; H1272-H1276 AromaticContact CE1-NE2 3.3Å; H1272-H1276 PolarHBondContact CE1-NE2 2.78Å; H1272-H1276 VanDerWaalsContact CE1-NE2 3.3Å; H1272-H1276 AromaticContact NE2-CD2 3.59Å; H1272-H1276 AromaticContact NE2-NE2 3.37Å; H1272-H1276 PolarHBondContact NE2-NE2 3.14Å; H1272-H1276 PolarHBondContact O-N 2.76Å; V1273-H1276 WeakPolarHBondContact O-CB 3.3Å; V1273-H1276 PolarHBondContact O-N 3.03Å; H1276-G1278 PolarHBondContact O-N 2.86Å |
| 1277 | T | 72.5 | Confident | 75.8 | Confident | 71 Ų | 71 | 72 Ų | 72 | 44% | 0.436 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -74 | 5.2 | -175 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | L1258 V1273 R1274 T1279 | L1258-T1277 HydrophobicContact CD1-CG2 3.99Å; V1273-T1277 HydrophobicContact CG1-CG2 4.02Å; V1273-T1277 PolarHBondContact O-N 3.28Å; V1273-T1277 PolarHBondContact O-OG1 3.23Å; R1274-T1277 WeakPolarHBondContact CA-OG1 3.48Å; T1277-T1279 PolarHBondContact O-N 3.12Å; T1277-T1279 PolarHBondContact OG1-OG1 3.46Å |
| 1278 | G | 58.3 | Low | 75.3 | Confident | 55 Ų | 55 | 73.7 Ų | 73.7 | 57% | 0.567 | 38% | 0.384 | S | S | * | . | trans | 64.3 | -8.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | H1276 R1280 | H1276-G1278 PolarHBondContact O-N 2.86Å; G1278-R1280 PolarHBondContact O-N 2.91Å | ||
| 1279 | T | 54.9 | Low | 74.7 | Confident | 76 Ų | 76 | 72.5 Ų | 72.5 | 47% | 0.466 | 38% | 0.375 | S | S | . | . | trans | -58.4 | 103.8 | -177.1 | 55.4 | 0 | 0 | 0 | 0 | 110.1 | R1274 T1277 G1281 | R1274-T1279 WeakPolarHBondContact CG-OG1 3.48Å; T1277-T1279 PolarHBondContact O-N 3.12Å; T1277-T1279 PolarHBondContact OG1-OG1 3.46Å; T1279-G1281 PolarHBondContact O-N 2.96Å | ||
| 1280 | R | 54.7 | Low | 74 | Confident | 242 Ų | 242 | 75.6 Ų | 75.6 | 91% | 0.913 | 40% | 0.395 | S | S | * | . | trans | -54.9 | 129 | -159.6 | -69.4 | 173.9 | 173.8 | 161.9 | -3.1 | 111.3 | G1278 | G1278-R1280 PolarHBondContact O-N 2.91Š| ||
| 1281 | G | 61.7 | Low | 73.8 | Confident | 22 Ų | 22 | 70.4 Ų | 70.4 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | trans | -57.6 | 163.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1279 G1283 | T1279-G1281 PolarHBondContact O-N 2.96Å; G1281-G1283 PolarHBondContact O-N 3.05Å | ||
| 1282 | Y | 74.6 | Confident | 73.5 | Confident | 81 Ų | 81 | 73.3 Ų | 73.3 | 32% | 0.318 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 96.8 | -173.6 | -62.7 | -82.2 | 0 | 0 | 0 | 112.4 | R1274 F1291 P1294 | R1274-Y1282 PolarHBondContact NH1-OH 3.28Å; Y1282-F1291 WeakPolarHBondContact CB-O 3.17Å; Y1282-F1291 PolarHBondContact N-O 2.82Å; Y1282-F1291 VanDerWaalsContact N-O 3.12Å; Y1282-F1291 WeakPolarHBondContact O-CB 3.32Å; Y1282-F1291 WeakPolarHBondContact O-CD2 3.36Å; Y1282-F1291 PolarHBondContact O-N 3.37Å; Y1282-P1294 HydrophobicContact CD1-CB 4Å; Y1282-P1294 HydrophobicContact CD2-CB 4.1Å; Y1282-P1294 HydrophobicContact CD2-CG 4.4Å; Y1282-P1294 HydrophobicContact CE1-CB 3.85Å; Y1282-P1294 HydrophobicContact CE1-CG 4.39Å; Y1282-P1294 HydrophobicContact CE2-CB 3.98Å; Y1282-P1294 VanDerWaalsContact CE2-CD 3.5Å; Y1282-P1294 HydrophobicContact CE2-CG 3.9Å; Y1282-P1294 HydrophobicContact CG-CB 4.12Å |
| 1283 | G | 71.4 | Confident | 72.9 | Confident | 30 Ų | 30 | 75.1 Ų | 75.1 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 137.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | G1281 S1289 R1297 | G1281-G1283 PolarHBondContact O-N 3.05Å; G1283-S1289 CarbonylContact C-O 3.56Å; G1283-S1289 WeakPolarHBondContact CA-O 3.48Å; G1283-R1297 VanDerWaalsContact O-CZ 3.28Å; G1283-R1297 PolarHBondContact O-NE 2.89Å; G1283-R1297 PolarHBondContact O-NH2 3.38Å |
| 1284 | C | 78.2 | Confident | 72.7 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.007 | 41% | 0.411 | C | S | . | . | trans | -78.6 | 125.1 | 169.6 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | Y1286 N1288 S1289 F1291 H1300 L1301 | C1284-Y1286 VanDerWaalsContact C-N 3.33Å; C1284-Y1286 PolarHBondContact O-N 2.85Å; C1284-N1288 WeakPolarHBondContact O-CA 3.3Å; C1284-N1288 PolarHBondContact O-N 3.01Å; C1284-S1289 PolarHBondContact N-O 3.33Å; C1284-F1291 HydrophobicContact CB-CE2 4.08Å; C1284-H1300 WeakPolarHBondContact CB-NE2 3.23Å; C1284-H1300 PolarHBondContact SG-CD2 2.9Å; C1284-H1300 PolarHBondContact SG-NE2 2.78Å; C1284-L1301 HydrophobicContact CB-CD2 4.31Å | ||
| 1285 | P | 75.6 | Confident | 72.5 | Confident | 80 Ų | 80 | 76 Ų | 76 | 52% | 0.519 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -33 | 179 | 29.1 | -32.5 | 0 | 0 | 0 | 112.1 | C1287 L1301 | P1285-C1287 VanDerWaalsContact C-N 3.33Å; P1285-C1287 PolarHBondContact O-N 2.33Å; P1285-L1301 HydrophobicContact CG-CD2 4.46Å |
| 1286 | Y | 80.4 | Confident | 73 | Confident | 100 Ų | 100 | 75.4 Ų | 75.4 | 39% | 0.392 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -17.8 | -175.3 | -53.7 | -67.1 | 0 | 0 | 0 | 115.1 | C1284 L1301 C1304 K1305 H1308 | C1284-Y1286 VanDerWaalsContact C-N 3.33Å; C1284-Y1286 PolarHBondContact O-N 2.85Å; Y1286-L1301 HydrophobicContact CD2-CD2 4.08Å; Y1286-L1301 HydrophobicContact CE2-CD2 4.13Å; Y1286-C1304 HydrophobicContact CD2-CB 4.4Å; Y1286-K1305 HydrophobicContact CE2-CB 4.12Å; Y1286-K1305 HydrophobicContact CE2-CG 4.43Å; Y1286-H1308 PolarHBondContact O-CE1 3.16Å; Y1286-H1308 VanDerWaalsContact O-CE1 3.3Å; Y1286-H1308 PolarHBondContact O-NE2 2.61Å |
| 1287 | C | 81.8 | Confident | 73.5 | Confident | 47 Ų | 47 | 75.5 Ų | 75.5 | 32% | 0.318 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -150.8 | 16.6 | 178.5 | 68.3 | 0 | 0 | 0 | 0 | 114.4 | P1285 S1289 H1300 | P1285-C1287 VanDerWaalsContact C-N 3.33Å; P1285-C1287 PolarHBondContact O-N 2.33Å; C1287-S1289 PolarHBondContact O-N 3.01Å; C1287-S1289 PolarHBondContact SG-OG 2.93Å; C1287-H1300 PolarHBondContact SG-CE1 2.81Å; C1287-H1300 PolarHBondContact SG-NE2 3.43Å |
| 1288 | N | 73.5 | Confident | 74.1 | Confident | 130 Ų | 130 | 78.5 Ų | 78.5 | 70% | 0.695 | 42% | 0.417 | S | S | * | . | trans | 50.6 | 18.2 | -179 | -67.7 | -26.1 | 0 | 0 | 0 | 116.6 | C1284 V1290 | C1284-N1288 WeakPolarHBondContact O-CA 3.3Å; C1284-N1288 PolarHBondContact O-N 3.01Å; N1288-V1290 PolarHBondContact O-N 3.01Å | ||
| 1289 | S | 74.8 | Confident | 75.3 | Confident | 22 Ų | 22 | 82.7 Ų | 82.7 | 15% | 0.154 | 42% | 0.416 | C | S | . | . | trans | -74.7 | 127 | 178.8 | 61.4 | 0 | 0 | 0 | 0 | 112 | G1283 C1284 C1287 F1291 H1300 | G1283-S1289 CarbonylContact C-O 3.56Å; G1283-S1289 WeakPolarHBondContact CA-O 3.48Å; C1284-S1289 PolarHBondContact N-O 3.33Å; C1287-S1289 PolarHBondContact O-N 3.01Å; C1287-S1289 PolarHBondContact SG-OG 2.93Å; S1289-F1291 WeakPolarHBondContact O-CD2 3.17Å; S1289-F1291 WeakPolarHBondContact O-CE2 3.34Å; S1289-F1291 WeakPolarHBondContact OG-CE2 3.31Å; S1289-F1291 VanDerWaalsContact OG-CZ 3.3Å; S1289-F1291 WeakPolarHBondContact OG-CZ 3.41Å; S1289-H1300 PolarHBondContact OG-CE1 3.15Å; S1289-H1300 PolarHBondContact OG-NE2 2.98Å | ||
| 1290 | V | 76.3 | Confident | 77 | Confident | 90 Ų | 90 | 81.1 Ų | 81.1 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 131 | -176 | -179.5 | 0 | 0 | 0 | 0 | 111 | N1288 | N1288-V1290 PolarHBondContact O-N 3.01Å |
| 1291 | F | 78.7 | Confident | 78.5 | Confident | 41 Ų | 41 | 71.4 Ų | 71.4 | 18% | 0.18 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129 | 179.4 | -61.3 | -85.5 | 0 | 0 | 0 | 112.8 | Y1282 C1284 S1289 N1293 H1296 R1297 H1300 | Y1282-F1291 WeakPolarHBondContact CB-O 3.17Å; Y1282-F1291 PolarHBondContact N-O 2.82Å; Y1282-F1291 VanDerWaalsContact N-O 3.12Å; Y1282-F1291 WeakPolarHBondContact O-CB 3.32Å; Y1282-F1291 WeakPolarHBondContact O-CD2 3.36Å; Y1282-F1291 PolarHBondContact O-N 3.37Å; C1284-F1291 HydrophobicContact CB-CE2 4.08Å; S1289-F1291 WeakPolarHBondContact O-CD2 3.17Å; S1289-F1291 WeakPolarHBondContact O-CE2 3.34Å; S1289-F1291 WeakPolarHBondContact OG-CE2 3.31Å; S1289-F1291 VanDerWaalsContact OG-CZ 3.3Å; S1289-F1291 WeakPolarHBondContact OG-CZ 3.41Å; F1291-N1293 PolarHBondContact O-N 3.05Å; F1291-H1296 HydrophobicContact CD1-CB 3.96Å; F1291-R1297 HydrophobicContact CB-CB 3.99Å; F1291-R1297 HydrophobicContact CD2-CB 3.77Å; F1291-R1297 HydrophobicContact CD2-CG 4.13Å; F1291-R1297 HydrophobicContact CG-CB 4Å; F1291-H1300 HydrophobicContact CE1-CB 3.79Å; F1291-H1300 HydrophobicContact CE2-CB 3.87Å; F1291-H1300 AromaticContact CE2-CD2 3.44Å; F1291-H1300 VanDerWaalsContact CE2-CD2 3.44Å; F1291-H1300 WeakPolarHBondContact CE2-CD2 3.5Å; F1291-H1300 AromaticContact CE2-CG 3.63Å; F1291-H1300 HydrophobicContact CZ-CB 3.35Å; F1291-H1300 AromaticContact CZ-CD2 3.47Å; F1291-H1300 VanDerWaalsContact CZ-CD2 3.47Å; F1291-H1300 WeakPolarHBondContact CZ-CD2 3.43Å; F1291-H1300 AromaticContact CZ-CG 3.16Å; F1291-H1300 AromaticContact CZ-ND1 3.65Å |
| 1292 | H | 72.9 | Confident | 79.6 | Confident | 118 Ų | 118 | 75.6 Ų | 75.6 | 55% | 0.546 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -67 | -14.6 | 170.5 | -57.5 | -67.4 | 0 | 0 | 0 | 113.9 | L1271 | L1271-H1292 WeakPolarHBondContact CD1-O 3.45Å; L1271-H1292 HydrophobicContact CD2-CB 4.46Å; L1271-H1292 WeakPolarHBondContact CD2-O 3.4Å |
| 1293 | N | 74.2 | Confident | 80 | Confident | 67 Ų | 67 | 78.4 Ų | 78.4 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -133.3 | 127.4 | -176.1 | -177.4 | -43.8 | 0 | 0 | 0 | 110.2 | F1291 S1295 H1296 R1297 | F1291-N1293 PolarHBondContact O-N 3.05Å; N1293-S1295 VanDerWaalsContact C-N 3.26Å; N1293-S1295 PolarHBondContact O-N 3.32Å; N1293-S1295 WeakPolarHBondContact OD1-CA 3.47Å; N1293-S1295 VanDerWaalsContact OD1-CB 3.22Å; N1293-S1295 WeakPolarHBondContact OD1-CB 3.2Å; N1293-S1295 PolarHBondContact OD1-N 2.98Å; N1293-S1295 PolarHBondContact OD1-OG 3.12Å; N1293-H1296 HydrophobicContact CB-CB 4.18Å; N1293-H1296 WeakPolarHBondContact O-CA 3.43Å; N1293-H1296 WeakPolarHBondContact O-CB 3.38Å; N1293-H1296 PolarHBondContact O-N 2.94Å; N1293-R1297 PolarHBondContact O-N 3.42Å |
| 1294 | P | 79.7 | Confident | 80.5 | Confident | 62 Ų | 62 | 77.4 Ų | 77.4 | 40% | 0.403 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65 | -28.1 | -177.8 | 24.5 | -30.3 | 0 | 0 | 0 | 112.7 | Y1282 H1296 R1297 K1298 | Y1282-P1294 HydrophobicContact CD1-CB 4Å; Y1282-P1294 HydrophobicContact CD2-CB 4.1Å; Y1282-P1294 HydrophobicContact CD2-CG 4.4Å; Y1282-P1294 HydrophobicContact CE1-CB 3.85Å; Y1282-P1294 HydrophobicContact CE1-CG 4.39Å; Y1282-P1294 HydrophobicContact CE2-CB 3.98Å; Y1282-P1294 VanDerWaalsContact CE2-CD 3.5Å; Y1282-P1294 HydrophobicContact CE2-CG 3.9Å; Y1282-P1294 HydrophobicContact CG-CB 4.12Å; P1294-H1296 VanDerWaalsContact C-N 3.32Å; P1294-R1297 PolarHBondContact O-N 2.98Å; P1294-K1298 WeakPolarHBondContact O-CB 3.14Å; P1294-K1298 PolarHBondContact O-N 2.94Å |
| 1295 | S | 77.1 | Confident | 80.6 | Confident | 74 Ų | 74 | 82.1 Ų | 82.1 | 52% | 0.517 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.9 | -29.4 | 171.1 | -48.2 | 0 | 0 | 0 | 0 | 112.6 | N1293 R1299 | N1293-S1295 VanDerWaalsContact C-N 3.26Å; N1293-S1295 PolarHBondContact O-N 3.32Å; N1293-S1295 WeakPolarHBondContact OD1-CA 3.47Å; N1293-S1295 VanDerWaalsContact OD1-CB 3.22Å; N1293-S1295 WeakPolarHBondContact OD1-CB 3.2Å; N1293-S1295 PolarHBondContact OD1-N 2.98Å; N1293-S1295 PolarHBondContact OD1-OG 3.12Å; S1295-R1299 WeakPolarHBondContact O-CB 3.23Å; S1295-R1299 PolarHBondContact O-N 3.29Å |
| 1296 | H | 84.8 | Confident | 80.7 | Confident | 94 Ų | 94 | 81.5 Ų | 81.5 | 44% | 0.435 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -75.7 | -40.6 | 172.1 | -75.8 | -176.2 | 0 | 0 | 0 | 111.6 | F1291 N1293 P1294 R1299 H1300 | F1291-H1296 HydrophobicContact CD1-CB 3.96Å; N1293-H1296 HydrophobicContact CB-CB 4.18Å; N1293-H1296 WeakPolarHBondContact O-CA 3.43Å; N1293-H1296 WeakPolarHBondContact O-CB 3.38Å; N1293-H1296 PolarHBondContact O-N 2.94Å; P1294-H1296 VanDerWaalsContact C-N 3.32Å; H1296-R1299 PolarHBondContact CD2-NH1 3.01Å; H1296-R1299 PolarHBondContact NE2-NH1 2.82Å; H1296-R1299 VanDerWaalsContact NE2-NH1 3.12Å; H1296-R1299 PolarHBondContact O-N 2.92Å; H1296-H1300 VanDerWaalsContact O-CB 3.32Å; H1296-H1300 WeakPolarHBondContact O-CB 3.48Å; H1296-H1300 PolarHBondContact O-N 3.44Å |
| 1297 | R | 88.4 | Confident | 80.2 | Confident | 83 Ų | 83 | 85.7 Ų | 85.7 | 31% | 0.313 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -55.5 | -52.9 | 167 | 179.8 | 179.3 | -179.1 | -124.4 | 19.4 | 110.6 | G1283 F1291 N1293 P1294 R1299 H1300 L1301 | G1283-R1297 VanDerWaalsContact O-CZ 3.28Å; G1283-R1297 PolarHBondContact O-NE 2.89Å; G1283-R1297 PolarHBondContact O-NH2 3.38Å; F1291-R1297 HydrophobicContact CB-CB 3.99Å; F1291-R1297 HydrophobicContact CD2-CB 3.77Å; F1291-R1297 HydrophobicContact CD2-CG 4.13Å; F1291-R1297 HydrophobicContact CG-CB 4Å; N1293-R1297 PolarHBondContact O-N 3.42Å; P1294-R1297 PolarHBondContact O-N 2.98Å; R1297-R1299 PolarHBondContact O-N 3.05Å; R1297-H1300 CarbonylContact O-C 3.5Å; R1297-H1300 WeakPolarHBondContact O-CA 3.25Å; R1297-H1300 WeakPolarHBondContact O-CB 3.23Å; R1297-H1300 PolarHBondContact O-N 3.35Å; R1297-L1301 HydrophobicContact CG-CD1 3.77Å; R1297-L1301 HydrophobicContact CG-CG 3.91Å; R1297-L1301 WeakPolarHBondContact O-CG 3.47Å; R1297-L1301 PolarHBondContact O-N 2.92Å |
| 1298 | K | 84.4 | Confident | 79.7 | Confident | 134 Ų | 134 | 86.9 Ų | 86.9 | 58% | 0.583 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -57.9 | -44.9 | -178.6 | -171.6 | 168.8 | -176.4 | 170.2 | 0 | 112.3 | P1294 H1300 L1301 L1302 | P1294-K1298 WeakPolarHBondContact O-CB 3.14Å; P1294-K1298 PolarHBondContact O-N 2.94Å; K1298-H1300 VanDerWaalsContact C-N 3.28Å; K1298-H1300 PolarHBondContact O-N 2.91Å; K1298-L1301 PolarHBondContact O-N 3.44Å; K1298-L1302 HydrophobicContact CG-CD1 4.49Å; K1298-L1302 WeakPolarHBondContact O-CD1 3.18Å; K1298-L1302 WeakPolarHBondContact O-CG 3.17Å; K1298-L1302 PolarHBondContact O-N 2.85Å; K1298-L1302 VanDerWaalsContact O-N 3.15Å |
| 1299 | R | 84.2 | Confident | 78.7 | Confident | 142 Ų | 142 | 86.2 Ų | 86.2 | 54% | 0.536 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.2 | -30.4 | 175.5 | -167.2 | -172.1 | -60.5 | 136.5 | 3.8 | 112.7 | S1295 H1296 R1297 | S1295-R1299 WeakPolarHBondContact O-CB 3.23Å; S1295-R1299 PolarHBondContact O-N 3.29Å; H1296-R1299 PolarHBondContact CD2-NH1 3.01Å; H1296-R1299 PolarHBondContact NE2-NH1 2.82Å; H1296-R1299 VanDerWaalsContact NE2-NH1 3.12Å; H1296-R1299 PolarHBondContact O-N 2.92Å; R1297-R1299 PolarHBondContact O-N 3.05Å |
| 1300 | H | 88.8 | Confident | 77.3 | Confident | 43 Ų | 43 | 89.2 Ų | 89.2 | 20% | 0.199 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -77.5 | -45.9 | 174.3 | 168.4 | 83.9 | 0 | 0 | 0 | 112 | C1284 C1287 S1289 F1291 H1296 R1297 K1298 L1302 K1303 C1304 | C1284-H1300 WeakPolarHBondContact CB-NE2 3.23Å; C1284-H1300 PolarHBondContact SG-CD2 2.9Å; C1284-H1300 PolarHBondContact SG-NE2 2.78Å; C1287-H1300 PolarHBondContact SG-CE1 2.81Å; C1287-H1300 PolarHBondContact SG-NE2 3.43Å; S1289-H1300 PolarHBondContact OG-CE1 3.15Å; S1289-H1300 PolarHBondContact OG-NE2 2.98Å; F1291-H1300 HydrophobicContact CE1-CB 3.79Å; F1291-H1300 HydrophobicContact CE2-CB 3.87Å; F1291-H1300 AromaticContact CE2-CD2 3.44Å; F1291-H1300 VanDerWaalsContact CE2-CD2 3.44Å; F1291-H1300 WeakPolarHBondContact CE2-CD2 3.5Å; F1291-H1300 AromaticContact CE2-CG 3.63Å; F1291-H1300 HydrophobicContact CZ-CB 3.35Å; F1291-H1300 AromaticContact CZ-CD2 3.47Å; F1291-H1300 VanDerWaalsContact CZ-CD2 3.47Å; F1291-H1300 WeakPolarHBondContact CZ-CD2 3.43Å; F1291-H1300 AromaticContact CZ-CG 3.16Å; F1291-H1300 AromaticContact CZ-ND1 3.65Å; H1296-H1300 VanDerWaalsContact O-CB 3.32Å; H1296-H1300 WeakPolarHBondContact O-CB 3.48Å; H1296-H1300 PolarHBondContact O-N 3.44Å; R1297-H1300 CarbonylContact O-C 3.5Å; R1297-H1300 WeakPolarHBondContact O-CA 3.25Å; R1297-H1300 WeakPolarHBondContact O-CB 3.23Å; R1297-H1300 PolarHBondContact O-N 3.35Å; K1298-H1300 VanDerWaalsContact C-N 3.28Å; K1298-H1300 PolarHBondContact O-N 2.91Å; H1300-L1302 VanDerWaalsContact C-N 3.28Å; H1300-L1302 PolarHBondContact O-N 2.78Å; H1300-K1303 CarbonylContact O-C 2.93Å; H1300-K1303 WeakPolarHBondContact O-CA 3.48Å; H1300-K1303 WeakPolarHBondContact O-CB 3.48Å; H1300-K1303 PolarHBondContact O-N 3.39Å; H1300-C1304 PolarHBondContact NE2-SG 3.41Å; H1300-C1304 WeakPolarHBondContact O-CB 3.29Å; H1300-C1304 PolarHBondContact O-N 3.49Å |
| 1301 | L | 86.8 | Confident | 75.7 | Confident | 38 Ų | 38 | 89.4 Ų | 89.4 | 20% | 0.199 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -51.8 | -47.2 | 175.9 | -72.6 | 171.5 | 0 | 0 | 0 | 111.3 | C1284 P1285 Y1286 R1297 K1298 K1303 C1304 K1305 | C1284-L1301 HydrophobicContact CB-CD2 4.31Å; P1285-L1301 HydrophobicContact CG-CD2 4.46Å; Y1286-L1301 HydrophobicContact CD2-CD2 4.08Å; Y1286-L1301 HydrophobicContact CE2-CD2 4.13Å; R1297-L1301 HydrophobicContact CG-CD1 3.77Å; R1297-L1301 HydrophobicContact CG-CG 3.91Å; R1297-L1301 WeakPolarHBondContact O-CG 3.47Å; R1297-L1301 PolarHBondContact O-N 2.92Å; K1298-L1301 PolarHBondContact O-N 3.44Å; L1301-K1303 PolarHBondContact O-N 3.14Å; L1301-C1304 PolarHBondContact O-N 3.34Å; L1301-C1304 VanDerWaalsContact O-N 3.13Å; L1301-K1305 WeakPolarHBondContact O-CB 3.32Å; L1301-K1305 PolarHBondContact O-N 3.28Å |
| 1302 | L | 85.7 | Confident | 73.6 | Confident | 111 Ų | 111 | 93.4 Ų | 93.4 | 58% | 0.581 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -56.2 | -29.9 | 174.3 | -77.2 | 162.3 | 0 | 0 | 0 | 113.7 | K1298 H1300 | K1298-L1302 HydrophobicContact CG-CD1 4.49Å; K1298-L1302 WeakPolarHBondContact O-CD1 3.18Å; K1298-L1302 WeakPolarHBondContact O-CG 3.17Å; K1298-L1302 PolarHBondContact O-N 2.85Å; K1298-L1302 VanDerWaalsContact O-N 3.15Å; H1300-L1302 VanDerWaalsContact C-N 3.28Å; H1300-L1302 PolarHBondContact O-N 2.78Å |
| 1303 | K | 82.5 | Confident | 71.6 | Confident | 140 Ų | 140 | 96.2 Ų | 96.2 | 61% | 0.609 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -95.9 | -19.9 | 177.8 | -68.1 | -173.6 | 175.7 | -161.9 | 0 | 113.9 | H1300 L1301 R1307 | H1300-K1303 CarbonylContact O-C 2.93Å; H1300-K1303 WeakPolarHBondContact O-CA 3.48Å; H1300-K1303 WeakPolarHBondContact O-CB 3.48Å; H1300-K1303 PolarHBondContact O-N 3.39Å; L1301-K1303 PolarHBondContact O-N 3.14Å; K1303-R1307 VanDerWaalsContact O-CD 3.32Å; K1303-R1307 WeakPolarHBondContact O-CD 3.5Å; K1303-R1307 VanDerWaalsContact O-CG 3.25Å; K1303-R1307 WeakPolarHBondContact O-CG 3.5Å |
| 1304 | C | 81.7 | Confident | 69.5 | Low | 8 Ų | 8 | 100.6 Ų | 100.6 | 5% | 0.054 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -85.2 | -48.4 | 179.1 | -143.4 | 0 | 0 | 0 | 0 | 109.1 | Y1286 H1300 L1301 A1306 R1307 H1308 | Y1286-C1304 HydrophobicContact CD2-CB 4.4Å; H1300-C1304 PolarHBondContact NE2-SG 3.41Å; H1300-C1304 WeakPolarHBondContact O-CB 3.29Å; H1300-C1304 PolarHBondContact O-N 3.49Å; L1301-C1304 PolarHBondContact O-N 3.34Å; L1301-C1304 VanDerWaalsContact O-N 3.13Å; C1304-A1306 VanDerWaalsContact C-N 3.3Å; C1304-A1306 PolarHBondContact O-N 3.3Å; C1304-R1307 WeakPolarHBondContact O-CA 3.41Å; C1304-R1307 WeakPolarHBondContact O-CB 3.14Å; C1304-R1307 PolarHBondContact O-N 2.95Å; C1304-H1308 PolarHBondContact O-CD2 3.37Å; C1304-H1308 VanDerWaalsContact O-CD2 3.26Å; C1304-H1308 PolarHBondContact O-N 3.47Å; C1304-H1308 VanDerWaalsContact O-N 3.13Å |
| 1305 | K | 80.8 | Confident | 67.2 | Low | 100 Ų | 100 | 104.4 Ų | 104.4 | 44% | 0.435 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -53.9 | -48.4 | 175.6 | -165.9 | -179.8 | 174 | 173.3 | 0 | 111 | Y1286 L1301 R1307 H1308 Q1309 | Y1286-K1305 HydrophobicContact CE2-CB 4.12Å; Y1286-K1305 HydrophobicContact CE2-CG 4.43Å; L1301-K1305 WeakPolarHBondContact O-CB 3.32Å; L1301-K1305 PolarHBondContact O-N 3.28Å; K1305-R1307 PolarHBondContact O-N 3.39Å; K1305-H1308 PolarHBondContact O-N 2.87Å; K1305-H1308 VanDerWaalsContact O-N 3.1Å; K1305-Q1309 HydrophobicContact CG-CG 4.13Å; K1305-Q1309 WeakPolarHBondContact O-CG 3.48Å; K1305-Q1309 PolarHBondContact O-N 3.25Å |
| 1306 | A | 76.6 | Confident | 64.9 | Low | 67 Ų | 67 | 106.7 Ų | 106.7 | 55% | 0.554 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.3 | 4.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | C1304 | C1304-A1306 VanDerWaalsContact C-N 3.3Å; C1304-A1306 PolarHBondContact O-N 3.3Å |
| 1307 | R | 71.3 | Confident | 62 | Low | 189 Ų | 189 | 106.1 Ų | 106.1 | 71% | 0.713 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -116.4 | -14.4 | 172.5 | -80 | 176.3 | 170.8 | -157 | -9 | 113.5 | K1303 C1304 K1305 | K1303-R1307 VanDerWaalsContact O-CD 3.32Å; K1303-R1307 WeakPolarHBondContact O-CD 3.5Å; K1303-R1307 VanDerWaalsContact O-CG 3.25Å; K1303-R1307 WeakPolarHBondContact O-CG 3.5Å; C1304-R1307 WeakPolarHBondContact O-CA 3.41Å; C1304-R1307 WeakPolarHBondContact O-CB 3.14Å; C1304-R1307 PolarHBondContact O-N 2.95Å; K1305-R1307 PolarHBondContact O-N 3.39Å |
| 1308 | H | 69.9 | Low | 59 | Low | 71 Ų | 71 | 109.2 Ų | 109.2 | 33% | 0.329 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -96.8 | -38.4 | 173.5 | -73.4 | -90.6 | 0 | 0 | 0 | 110.1 | Y1286 C1304 K1305 S1310 N1311 | Y1286-H1308 PolarHBondContact O-CE1 3.16Å; Y1286-H1308 VanDerWaalsContact O-CE1 3.3Å; Y1286-H1308 PolarHBondContact O-NE2 2.61Å; C1304-H1308 PolarHBondContact O-CD2 3.37Å; C1304-H1308 VanDerWaalsContact O-CD2 3.26Å; C1304-H1308 PolarHBondContact O-N 3.47Å; C1304-H1308 VanDerWaalsContact O-N 3.13Å; K1305-H1308 PolarHBondContact O-N 2.87Å; K1305-H1308 VanDerWaalsContact O-N 3.1Å; H1308-S1310 PolarHBondContact O-N 3.05Å; H1308-N1311 WeakPolarHBondContact O-CB 3.43Å; H1308-N1311 PolarHBondContact O-N 3.06Å; H1308-N1311 VanDerWaalsContact O-N 3.13Å |
| 1309 | Q | 53.1 | Low | 56.1 | Low | 116 Ų | 116 | 112.2 Ų | 112.2 | 54% | 0.542 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.4 | -2 | 174.5 | -68 | -173.5 | -73.4 | 0 | 0 | 115.6 | K1305 | K1305-Q1309 HydrophobicContact CG-CG 4.13Å; K1305-Q1309 WeakPolarHBondContact O-CG 3.48Å; K1305-Q1309 PolarHBondContact O-N 3.25Å |
| 1310 | S | 46.4 | Very low | 53.1 | Low | 85 Ų | 85 | 110 Ų | 110 | 59% | 0.594 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 19.7 | 175.6 | 66.7 | 0 | 0 | 0 | 0 | 112.5 | H1308 | H1308-S1310 PolarHBondContact O-N 3.05Š|
| 1311 | N | 41.5 | Very low | 50 | Low | 94 Ų | 94 | 112.9 Ų | 112.9 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -135.4 | -0.3 | -169.6 | -111.7 | 93.3 | 0 | 0 | 0 | 113.7 | H1308 | H1308-N1311 WeakPolarHBondContact O-CB 3.43Å; H1308-N1311 PolarHBondContact O-N 3.06Å; H1308-N1311 VanDerWaalsContact O-N 3.13Å |
| 1312 | D | 35.4 | Very low | 47.1 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 67% | 0.668 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -113.5 | 14.9 | -169.9 | -52.1 | -30 | 0 | 0 | 0 | 112.4 | ||
| 1313 | E | 30.6 | Very low | 44.1 | Very low | 178 Ų | 178 | 119 Ų | 119 | 83% | 0.832 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -105.6 | 7.2 | 179.8 | -75.2 | 178.7 | 170.4 | 0 | 0 | 114 | ||
| 1314 | L | 30.9 | Very low | 41.3 | Very low | 159 Ų | 159 | 119.9 Ų | 119.9 | 83% | 0.832 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -141.1 | 78.3 | 170.6 | -79 | 101.4 | 0 | 0 | 0 | 111.1 | ||
| 1315 | T | 29.9 | Very low | 38.6 | Very low | 141 Ų | 141 | 125 Ų | 125 | 87% | 0.865 | 69% | 0.691 | S | S | * | * | trans | 172.2 | 84.1 | 145.1 | 43.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1316 | S | 29.5 | Very low | 35.8 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 85% | 0.853 | 71% | 0.705 | S | S | * | * | trans | -164.5 | 63.4 | 166.7 | 61.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1317 | A | 23.8 | Very low | 33.4 | Very low | 83 Ų | 83 | 131.9 Ų | 131.9 | 69% | 0.686 | 72% | 0.721 | S | S | * | * | trans | -142.6 | 128.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1318 | N | 24.6 | Very low | 31 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | 68.5 | 137.2 | -177.5 | -41.1 | -14.5 | 0 | 0 | 0 | 113 | ||||
| 1319 | F | 24.7 | Very low | 28.8 | Very low | 196 Ų | 196 | 133.2 Ų | 133.2 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | cis | -130.2 | 155.9 | 13.5 | -105.1 | -92.4 | 0 | 0 | 0 | 112.8 | ||||
| 1320 | S | 19.9 | Very low | 27.3 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | trans | -103 | 167.8 | 165.3 | 51.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1321 | S | 23.6 | Very low | 26.3 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 57.1 | 112.3 | 158.7 | 59.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1322 | T | 27.8 | Very low | 25.4 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | -146.7 | 142.7 | 108.6 | 30 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1323 | L | 21.2 | Very low | 25 | Very low | 134 Ų | 134 | 142 Ų | 142 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | -73.1 | 160.3 | 162.5 | -92.5 | 64.8 | 0 | 0 | 0 | 109.1 | ||||
| 1324 | D | 25.2 | Very low | 24.5 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | -166.8 | 161.6 | 109.9 | -99.9 | -32.1 | 0 | 0 | 0 | 113.5 | |||||
| 1325 | N | 23.1 | Very low | 24.4 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | trans | -101.3 | 170.4 | -156.9 | -69.5 | -49.7 | 0 | 0 | 0 | 114.7 | ||||
| 1326 | N | 21.8 | Very low | 24 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 63.9 | 127.2 | 149.3 | -63 | -17.6 | 0 | 0 | 0 | 119.4 | ||||
| 1327 | I | 26.8 | Very low | 23.7 | Very low | 174 Ų | 174 | 141 Ų | 141 | 89% | 0.892 | 76% | 0.763 | S | S | * | * | -150.2 | 132.6 | 113.9 | -96.1 | 147.7 | 0 | 0 | 0 | 107.8 | |||||
| 1328 | F | 21.6 | Very low | 24.2 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 77% | 0.772 | 76% | 0.76 | S | S | * | * | trans | -75.7 | 152.5 | 171.9 | -106.5 | -111 | 0 | 0 | 0 | 110.2 | ||||
| 1329 | S | 22.6 | Very low | 24 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | 161.5 | 144.7 | 119.7 | -73.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1330 | H | 21.6 | Very low | 24.1 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | -44.1 | 145.6 | 172.7 | -78.8 | -115.5 | 0 | 0 | 0 | 115.7 | ||||
| 1331 | D | 26.3 | Very low | 24.2 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | -135.7 | 116.2 | 126.5 | -102.6 | -38.1 | 0 | 0 | 0 | 108.8 | |||||
| 1332 | V | 22.2 | Very low | 24.3 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 65% | 0.648 | 76% | 0.764 | S | S | * | * | trans | -118.7 | 110.4 | 173.2 | 172.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1333 | M | 27 | Very low | 24.2 | Very low | 178 Ų | 178 | 146 Ų | 146 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -120.5 | 119.1 | 168.1 | -84.7 | -69.5 | 176.3 | 0 | 0 | 109.4 | ||||
| 1334 | N | 20.2 | Very low | 24.4 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | trans | -58.5 | 150.1 | 169.2 | -76.1 | -37.1 | 0 | 0 | 0 | 111.3 | ||||
| 1335 | I | 28.6 | Very low | 24.4 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | -150.9 | 131.1 | 125.5 | -91.4 | 140.2 | 0 | 0 | 0 | 106.1 | |||||
| 1336 | N | 22.1 | Very low | 24.6 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | trans | -98.6 | 166.2 | -173.2 | -77 | -24.3 | 0 | 0 | 0 | 113.1 | ||||
| 1337 | H | 23.9 | Very low | 24.9 | Very low | 168 Ų | 168 | 145 Ų | 145 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | trans | 75.4 | 152.7 | 151.8 | -71.7 | -58.8 | 0 | 0 | 0 | 119.3 | ||||
| 1338 | P | 33.5 | Very low | 24.9 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 61% | 0.61 | 76% | 0.762 | S | S | * | * | -138 | 179.9 | -56.6 | 35.5 | -16.5 | 0 | 0 | 0 | 113.3 | |||||
| 1339 | E | 20.9 | Very low | 24.9 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | 21.9 | 118 | 143.7 | -67.7 | 144.4 | -146.3 | 0 | 0 | 120 | ||||
| 1340 | E | 25.5 | Very low | 24.9 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | -167.5 | 124.4 | 108.1 | -106.1 | 179.7 | -171.5 | 0 | 0 | 111.1 | |||||
| 1341 | E | 21.6 | Very low | 25.1 | Very low | 141 Ų | 141 | 149 Ų | 149 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | trans | -91.6 | 114 | 173.1 | -67 | -172.2 | 148.9 | 0 | 0 | 110.6 | N1446 | E1341-N1446 PolarHBondContact OE2-ND2 2.75Š| ||
| 1342 | T | 27.4 | Very low | 25.1 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | -146.3 | 89.3 | 156.4 | 29.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1343 | I | 24.4 | Very low | 25.1 | Very low | 148 Ų | 148 | 149 Ų | 149 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 21.2 | 109.4 | 132 | -54.4 | 166.4 | 0 | 0 | 0 | 116.5 | ||||
| 1344 | C | 26.7 | Very low | 25 | Very low | 123 Ų | 123 | 148 Ų | 148 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | trans | -131.2 | 75.8 | 154.4 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | A1346 | C1344-A1346 PolarHBondContact O-N 2.95Å; C1344-A1346 VanDerWaalsContact O-N 3.16Å | ||
| 1345 | E | 24.6 | Very low | 25.4 | Very low | 188 Ų | 188 | 147.6 Ų | 147.6 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | trans | -82.4 | 81.4 | 175.3 | -75.1 | -155.4 | 131 | 0 | 0 | 112.6 | ||||
| 1346 | A | 28 | Very low | 25.2 | Very low | 74 Ų | 74 | 144.9 Ų | 144.9 | 61% | 0.612 | 75% | 0.75 | S | S | * | * | trans | -149.2 | 129.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C1344 | C1344-A1346 PolarHBondContact O-N 2.95Å; C1344-A1346 VanDerWaalsContact O-N 3.16Å | ||
| 1347 | N | 28.4 | Very low | 25.5 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 92.2 | 92.5 | 167.5 | -58.2 | -56.1 | 0 | 0 | 0 | 120 | ||||
| 1348 | K | 26.4 | Very low | 25.8 | Very low | 185 Ų | 185 | 143 Ų | 143 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | 43.6 | 122.2 | 112.5 | -75.6 | 172 | -178.4 | 160.5 | 0 | 119.4 | |||||
| 1349 | M | 22 | Very low | 25.4 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | 90.3 | 140.2 | 142.5 | -69.7 | -159.9 | 174.4 | 0 | 0 | 120.7 | ||||
| 1350 | C | 22.4 | Very low | 25.9 | Very low | 109 Ų | 109 | 144 Ų | 144 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | 72.2 | 104.7 | 159.4 | -70 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1351 | R | 25.6 | Very low | 26 | Very low | 234 Ų | 234 | 138.5 Ų | 138.5 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | 176 | 129.2 | 117.9 | -85.9 | 145.6 | -161 | -147.7 | 6.5 | 106.2 | |||||
| 1352 | S | 25.2 | Very low | 26.3 | Very low | 85 Ų | 85 | 138.9 Ų | 138.9 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | 58.9 | 140.7 | 60.3 | 78.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1353 | F | 22.6 | Very low | 26.5 | Very low | 185 Ų | 185 | 138 Ų | 138 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | 81.3 | 117.1 | -171.1 | -59.6 | -89.6 | 0 | 0 | 0 | 113 | ||||
| 1354 | K | 25.7 | Very low | 26.9 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 68% | 0.683 | 76% | 0.762 | S | S | * | * | cis | 85.2 | 129.4 | 41.7 | -166.9 | -170.2 | 171 | -83.2 | 0 | 109.6 | ||||
| 1355 | D | 27.3 | Very low | 27.2 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | trans | 72.2 | 73.7 | 175.6 | -47.2 | -36.5 | 0 | 0 | 0 | 115.3 | ||||
| 1356 | C | 25.5 | Very low | 27.7 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | -93.7 | 94.4 | 149.2 | -172.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1357 | I | 27 | Very low | 28.3 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | trans | -89.9 | 109.6 | 157.9 | -63.7 | 168.8 | 0 | 0 | 0 | 103.9 | D1359 | I1357-D1359 VanDerWaalsContact CG2-OD2 3.28Å; I1357-D1359 WeakPolarHBondContact CG2-OD2 3.47Å | ||
| 1358 | C | 31.1 | Very low | 28.7 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | trans | -103.6 | 81.8 | 169.9 | 50.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1359 | D | 25.8 | Very low | 29.1 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | trans | -71.6 | 152.1 | 156.3 | -69.2 | -47.4 | 0 | 0 | 0 | 108.7 | I1357 | I1357-D1359 VanDerWaalsContact CG2-OD2 3.28Å; I1357-D1359 WeakPolarHBondContact CG2-OD2 3.47Å | ||
| 1360 | N | 30.6 | Very low | 29.7 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 64.6 | 147.5 | 169.5 | -60.9 | -12.7 | 0 | 0 | 0 | 118.8 | ||
| 1361 | G | 27.6 | Very low | 30.3 | Very low | 71 Ų | 71 | 137.2 Ų | 137.2 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | trans | 90.4 | 102 | 146.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1363 | G1361-S1363 PolarHBondContact O-N 3.01Š| ||
| 1362 | V | 28.8 | Very low | 30.6 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 91% | 0.909 | 73% | 0.728 | S | S | * | * | trans | -44.7 | 104.1 | 162.1 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1363 | S | 31.2 | Very low | 30.9 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -133.5 | 108.2 | 157.6 | 73 | 0 | 0 | 0 | 0 | 109.2 | G1361 | G1361-S1363 PolarHBondContact O-N 3.01Š| ||
| 1364 | E | 31.9 | Very low | 31.2 | Very low | 164 Ų | 164 | 131 Ų | 131 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | trans | -63.2 | 164.7 | 168.6 | -60.2 | -175.1 | 137.6 | 0 | 0 | 110 | ||||
| 1365 | H | 32.6 | Very low | 31.3 | Very low | 166 Ų | 166 | 134 Ų | 134 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | 80.7 | 50.4 | -178.8 | -46.9 | -44.7 | 0 | 0 | 0 | 119.1 | ||||
| 1366 | C | 36.3 | Very low | 31.2 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 64% | 0.642 | 76% | 0.758 | S | S | * | * | trans | -97.5 | 56.4 | 146.2 | -163.5 | 0 | 0 | 0 | 0 | 111.8 | K1368 | C1366-K1368 PolarHBondContact O-N 3.43Å; C1366-K1368 VanDerWaalsContact O-N 3.16Å | ||
| 1367 | T | 40.9 | Very low | 31.4 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -6.3 | -173.9 | 49.3 | 0 | 0 | 0 | 0 | 115 | ||
| 1368 | K | 36.1 | Very low | 31.4 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 8.6 | -179.3 | -69.4 | 178.9 | -179.2 | 170 | 0 | 115 | C1366 | C1366-K1368 PolarHBondContact O-N 3.43Å; C1366-K1368 VanDerWaalsContact O-N 3.16Å |
| 1369 | C | 34.1 | Very low | 31.1 | Very low | 45 Ų | 45 | 141.6 Ų | 141.6 | 30% | 0.304 | 77% | 0.768 | S | S | . | * | trans | -111.3 | 92.4 | 172.5 | -169.4 | 0 | 0 | 0 | 0 | 113.4 | K1371 C1372 | C1369-K1371 PolarHBondContact O-N 3.09Å; C1369-C1372 PolarHBondContact O-N 3.43Å; C1369-C1372 VanDerWaalsContact SG-SG 3.68Å | ||
| 1370 | T | 34.5 | Very low | 31.1 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 87% | 0.871 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 21.4 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1371 | K | 35 | Very low | 30.7 | Very low | 193 Ų | 193 | 145.6 Ų | 145.6 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | -5.6 | 176.8 | -84.6 | -178.8 | -179.2 | 164.4 | 0 | 115 | C1369 | C1369-K1371 PolarHBondContact O-N 3.09Š|
| 1372 | C | 31.8 | Very low | 30.5 | Very low | 92 Ų | 92 | 146.7 Ų | 146.7 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -25.2 | -178.8 | -66.7 | 0 | 0 | 0 | 0 | 113.5 | C1369 L1374 | C1369-C1372 PolarHBondContact O-N 3.43Å; C1369-C1372 VanDerWaalsContact SG-SG 3.68Å; C1372-L1374 PolarHBondContact O-N 3.49Å |
| 1373 | T | 31.5 | Very low | 30.4 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 54.1 | 178.1 | 33.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1374 | L | 30.8 | Very low | 29.9 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151 | 24.5 | 169.8 | -115.4 | 173.2 | 0 | 0 | 0 | 113 | C1372 | C1372-L1374 PolarHBondContact O-N 3.49Š|
| 1375 | Y | 25.9 | Very low | 29.6 | Very low | 221 Ų | 221 | 151.7 Ų | 151.7 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -151.9 | 71.8 | 176 | -144.1 | -81.9 | 0 | 0 | 0 | 111.8 | ||
| 1376 | L | 26 | Very low | 29.2 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -172.2 | 88.6 | 156.5 | -102.8 | 168.7 | 0 | 0 | 0 | 106.2 | ||||
| 1377 | D | 29.2 | Very low | 28.6 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -161 | 31.2 | 178.9 | -122.3 | -10.1 | 0 | 0 | 0 | 112.3 | ||||
| 1378 | I | 27.5 | Very low | 27.8 | Very low | 160 Ų | 160 | 153.3 Ų | 153.3 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -146.2 | 88.9 | 159 | -53.8 | -179.4 | 0 | 0 | 0 | 107.3 | ||
| 1379 | L | 24.9 | Very low | 27.1 | Very low | 149 Ų | 149 | 150.2 Ų | 150.2 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 174.3 | 124.4 | 140.8 | -97.4 | 165.9 | 0 | 0 | 0 | 109.6 | ||
| 1380 | L | 25.1 | Very low | 26.8 | Very low | 143 Ų | 143 | 157.3 Ų | 157.3 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | 63.8 | 115.6 | 159.4 | -48 | 172 | 0 | 0 | 0 | 115.2 | ||||
| 1381 | Y | 23.3 | Very low | 26.2 | Very low | 233 Ų | 233 | 156.8 Ų | 156.8 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | cis | 62.2 | 60.8 | 24.5 | -123.8 | -68.5 | 0 | 0 | 0 | 114.4 | ||||
| 1382 | S | 23.6 | Very low | 25.7 | Very low | 95 Ų | 95 | 154.5 Ų | 154.5 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | trans | -161.9 | 81.4 | 159 | 54 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1383 | K | 26.2 | Very low | 25.2 | Very low | 205 Ų | 205 | 156.3 Ų | 156.3 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -98.8 | 91.1 | 158.1 | -109.4 | -166.3 | 176.9 | -171 | 0 | 107.3 | ||||
| 1384 | E | 20.9 | Very low | 24.7 | Very low | 182 Ų | 182 | 156.8 Ų | 156.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -67.3 | 127.5 | 159.3 | -67.6 | 170.9 | 171.4 | 0 | 0 | 107.3 | ||||
| 1385 | I | 24.7 | Very low | 24.3 | Very low | 139 Ų | 139 | 156.2 Ų | 156.2 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -114.2 | 136.8 | 160.6 | -68.4 | 178.7 | 0 | 0 | 0 | 104.7 | T1387 | I1385-T1387 PolarHBondContact O-N 3.31Š| ||
| 1386 | P | 25.3 | Very low | 24.1 | Very low | 116 Ų | 116 | 151 Ų | 151 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | -66.7 | 125.2 | -164.5 | -18.9 | 31.9 | 0 | 0 | 0 | 111.9 | N1388 | P1386-N1388 PolarHBondContact O-N 2.95Š| ||
| 1387 | T | 23.2 | Very low | 24 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | -70 | 107.6 | 156 | 47.2 | 0 | 0 | 0 | 0 | 107.6 | I1385 | I1385-T1387 PolarHBondContact O-N 3.31Š| ||
| 1388 | N | 24.8 | Very low | 23.5 | Very low | 152 Ų | 152 | 148.6 Ų | 148.6 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -111.3 | 133.3 | 166 | -129 | 4.4 | 0 | 0 | 0 | 108.1 | P1386 | P1386-N1388 PolarHBondContact O-N 2.95Š| ||
| 1389 | D | 21.2 | Very low | 23.3 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | -66.9 | 141.2 | -165.1 | -58.3 | -70.6 | 0 | 0 | 0 | 114.6 | ||||
| 1390 | K | 27.7 | Very low | 23.8 | Very low | 194 Ų | 194 | 145 Ų | 145 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | 168.9 | 109.9 | 132.3 | -88.5 | 149.7 | -167.9 | 177.6 | 0 | 108.1 | ||||
| 1391 | V | 22 | Very low | 23.7 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | 78.7 | 142.5 | 77.9 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1392 | I | 24.7 | Very low | 23.5 | Very low | 146 Ų | 146 | 139 Ų | 139 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | 87.3 | 84.5 | -178.7 | -42.4 | -166 | 0 | 0 | 0 | 116.1 | ||||
| 1393 | N | 20.2 | Very low | 23.5 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | 44.2 | 144.8 | 111.5 | -66.8 | -5.9 | 0 | 0 | 0 | 122 | |||||
| 1394 | N | 22.5 | Very low | 23.3 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | trans | 74.1 | 145.6 | 145.5 | -67.4 | -2.1 | 0 | 0 | 0 | 116.9 | ||||
| 1395 | Q | 21.7 | Very low | 23.3 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | cis | -170.4 | 166.2 | -9.3 | -117.4 | 168.9 | -7.9 | 0 | 0 | 108.7 | ||||
| 1396 | V | 21.4 | Very low | 23.1 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | trans | 74.1 | 110.4 | 136.7 | 162.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1397 | L | 22.9 | Very low | 22.8 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | trans | 70 | 117.3 | 130.7 | -56.5 | -179.4 | 0 | 0 | 0 | 122.3 | ||||
| 1398 | D | 20.5 | Very low | 22.8 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | 42 | 129.6 | 111.7 | -50.3 | -15 | 0 | 0 | 0 | 120.9 | |||||
| 1399 | V | 23.2 | Very low | 23.1 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | 167.9 | 136.9 | 102.3 | 159.5 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 1400 | P | 35.1 | Very low | 23.2 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | trans | -88.9 | 166 | -177 | 36.9 | -36.8 | 0 | 0 | 0 | 112.4 | ||||
| 1401 | N | 22.1 | Very low | 22.9 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 84% | 0.84 | 73% | 0.727 | S | S | * | * | -166.1 | 155.6 | 125.1 | -101.4 | -34.5 | 0 | 0 | 0 | 115.5 | |||||
| 1402 | S | 20.1 | Very low | 22.9 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | trans | -48.6 | 162.1 | 171.7 | 47.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1403 | I | 24.3 | Very low | 22.9 | Very low | 166 Ų | 166 | 127.1 Ų | 127.1 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | -173.8 | 147.1 | 110.2 | -91.3 | 155.9 | 0 | 0 | 0 | 112.1 | |||||
| 1404 | N | 21.1 | Very low | 22.9 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 49% | 0.487 | 73% | 0.732 | S | S | . | * | trans | -62.4 | 156 | -173.3 | -76 | -44.2 | 0 | 0 | 0 | 118.7 | Y1523 | N1404-Y1523 PolarHBondContact ND2-OH 3.44Å; N1404-Y1523 WeakPolarHBondContact OD1-CE2 3.34Å; N1404-Y1523 PolarHBondContact OD1-OH 3.25Å | ||
| 1405 | N | 20.6 | Very low | 23 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | trans | 30.7 | 135.2 | 136.1 | -70.7 | -35.3 | 0 | 0 | 0 | 122.3 | ||||
| 1406 | S | 20.2 | Very low | 22.9 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | trans | 77.9 | 134.1 | 136.8 | 73.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 1407 | G | 19.4 | Very low | 22.9 | Very low | 66 Ų | 66 | 127.5 Ų | 127.5 | 68% | 0.68 | 74% | 0.74 | S | S | * | * | trans | 123.9 | 139 | 147.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1408 | S | 24.1 | Very low | 22.8 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | 61.4 | 120.3 | 160.8 | 62.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1409 | K | 29.9 | Very low | 22.7 | Very low | 197 Ų | 197 | 129.6 Ų | 129.6 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | trans | -70.9 | 144.3 | 137.8 | -62.1 | 176 | 176 | -178.2 | 0 | 108.5 | ||||
| 1410 | P | 24.7 | Very low | 22.8 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | -104.7 | 133.2 | 129.9 | -10.9 | 29.8 | 0 | 0 | 0 | 108.6 | |||||
| 1411 | V | 20.8 | Very low | 22.1 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | 74.2 | 124 | 71.3 | 174.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1412 | N | 21.4 | Very low | 22.1 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 14 | 140.9 | 155.1 | -56.4 | -13.6 | 0 | 0 | 0 | 119.6 | ||||
| 1413 | I | 25.1 | Very low | 22.2 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | -163.6 | 146.4 | 94.7 | -93.4 | 152.1 | 0 | 0 | 0 | 109.9 | |||||
| 1414 | S | 19.8 | Very low | 22.2 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | trans | -95.8 | 132.6 | 171.3 | 176.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 1415 | T | 24.9 | Very low | 22.3 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -144.7 | 114.9 | 165.7 | -5.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1416 | A | 19.9 | Very low | 22.5 | Very low | 74 Ų | 74 | 135.5 Ų | 135.5 | 61% | 0.612 | 76% | 0.756 | S | S | * | * | trans | -73.2 | 168.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1417 | Y | 20.4 | Very low | 22.6 | Very low | 209 Ų | 209 | 136.2 Ų | 136.2 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | -173.5 | 132.7 | 106.9 | -116.4 | -115.3 | 0 | 0 | 0 | 113.2 | |||||
| 1418 | L | 21.9 | Very low | 22.7 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | trans | 45.9 | 118.8 | 148.6 | -66.5 | -177.4 | 0 | 0 | 0 | 122.9 | ||||
| 1419 | E | 18.2 | Very low | 22.5 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -57.7 | 147 | 139.9 | -59.1 | 161.4 | 138.9 | 0 | 0 | 111.1 | ||||
| 1420 | I | 25 | Very low | 22.3 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | trans | -131.3 | 132.8 | 160.9 | -64.5 | -179.2 | 0 | 0 | 0 | 107.3 | ||||
| 1421 | T | 20.6 | Very low | 22.3 | Very low | 105 Ų | 105 | 143 Ų | 143 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | trans | -103 | 165.1 | -178.8 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1422 | D | 21.5 | Very low | 22.8 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | 75.3 | 130.2 | 152.5 | -54.4 | -42.2 | 0 | 0 | 0 | 121.4 | ||||
| 1423 | H | 21.8 | Very low | 22.9 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | trans | 47 | 120.8 | 152.5 | -66.3 | -64.5 | 0 | 0 | 0 | 119.5 | ||||
| 1424 | D | 24.7 | Very low | 22.8 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | -164.8 | 138.5 | 90.6 | -100.1 | -21.8 | 0 | 0 | 0 | 116.4 | |||||
| 1425 | I | 23.3 | Very low | 23 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | 56.3 | 130.5 | 127.6 | -59.4 | 171.7 | 0 | 0 | 0 | 123.2 | |||||
| 1426 | N | 24.4 | Very low | 22.9 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 79.4 | 101.1 | 153.8 | -79.9 | -22.3 | 0 | 0 | 0 | 123.6 | ||||
| 1427 | N | 22.7 | Very low | 23 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | 37.3 | 134 | 113.7 | -75.1 | -18.9 | 0 | 0 | 0 | 123.1 | |||||
| 1428 | N | 21.8 | Very low | 23 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 96.4 | 116.5 | 144.3 | -71.9 | -11.5 | 0 | 0 | 0 | 121.7 | ||||
| 1429 | S | 20.8 | Very low | 23 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 61.3 | 116.4 | 135.4 | 62.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1430 | E | 25.6 | Very low | 23.2 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | 160 | 110.4 | 127.8 | -87 | 172.9 | -174.9 | 0 | 0 | 107.8 | |||||
| 1431 | K | 23.1 | Very low | 23 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | 49.8 | 145.4 | 83 | -82.6 | -168.4 | 178.2 | 177.6 | 0 | 115 | |||||
| 1432 | P | 31.3 | Very low | 23.1 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 63% | 0.63 | 76% | 0.76 | S | S | * | * | cis | -137.7 | 159.2 | -33 | 37.6 | -21.8 | 0 | 0 | 0 | 113.6 | ||||
| 1433 | F | 24.1 | Very low | 23.1 | Very low | 216 Ų | 216 | 142.7 Ų | 142.7 | 95% | 0.947 | 76% | 0.761 | S | S | * | * | trans | -128.6 | 123.8 | 144.3 | -111.3 | -81.6 | 0 | 0 | 0 | 109.9 | ||||
| 1434 | T | 23.1 | Very low | 23.2 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | -93.5 | 132.6 | -173.9 | 41.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1435 | S | 24.2 | Very low | 23.3 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | -168.7 | 112.3 | 127.2 | 20.7 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1436 | H | 22.6 | Very low | 23.3 | Very low | 164 Ų | 164 | 137 Ų | 137 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -67.1 | 138.9 | 162.3 | -73.6 | -97.2 | 0 | 0 | 0 | 109 | ||||
| 1437 | N | 22.6 | Very low | 23.5 | Very low | 158 Ų | 158 | 134 Ų | 134 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | -157.5 | 127.4 | 104.9 | -101.7 | -16.6 | 0 | 0 | 0 | 112.4 | |||||
| 1438 | I | 19.9 | Very low | 23.6 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | trans | -108.4 | 113.9 | 171.1 | -65.3 | 165.9 | 0 | 0 | 0 | 106.2 | ||||
| 1439 | S | 22.2 | Very low | 23.5 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -162.1 | 105.2 | 156.9 | -34.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1440 | N | 21.5 | Very low | 23.6 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | 79 | 111.2 | 85.5 | -77 | -4.3 | 0 | 0 | 0 | 113.4 | |||||
| 1441 | T | 21.5 | Very low | 23.5 | Very low | 116 Ų | 116 | 139 Ų | 139 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | trans | 51 | 107.9 | 134.7 | 63.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1442 | I | 22.8 | Very low | 23.5 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | 170.9 | 128.6 | 109.3 | -87.8 | 154.5 | 0 | 0 | 0 | 110.8 | |||||
| 1443 | D | 21.4 | Very low | 23.1 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 49.9 | 132.3 | 151.7 | -68.4 | -35.6 | 0 | 0 | 0 | 126.2 | ||||
| 1444 | V | 23.9 | Very low | 23.1 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | 61.8 | 95.8 | 136.1 | -176.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1445 | A | 25.7 | Very low | 23.1 | Very low | 92 Ų | 92 | 137.6 Ų | 137.6 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -154.1 | 112.2 | 132.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1447 | A1445-G1447 PolarHBondContact O-N 3.19Š| ||
| 1446 | N | 25 | Very low | 23 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 59% | 0.588 | 76% | 0.762 | S | S | * | * | trans | 7.4 | 98.7 | 155.1 | -63.1 | -49.6 | 0 | 0 | 0 | 119 | E1341 | E1341-N1446 PolarHBondContact OE2-ND2 2.75Š| ||
| 1447 | G | 27.1 | Very low | 23.2 | Very low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | -130.1 | 70.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1445 Q1449 | A1445-G1447 PolarHBondContact O-N 3.19Å; G1447-Q1449 PolarHBondContact O-N 3.48Å | ||
| 1448 | Q | 24.6 | Very low | 23.2 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -64.9 | 82.8 | -176.6 | -69.8 | -178.8 | -14.2 | 0 | 0 | 113.9 | ||||
| 1449 | Q | 21 | Very low | 23.5 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -83.7 | 114.7 | 141.4 | -75.7 | -171.2 | -6.5 | 0 | 0 | 108.4 | G1447 | G1447-Q1449 PolarHBondContact O-N 3.48Š| ||
| 1450 | C | 22.4 | Very low | 23.5 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | -176.7 | 139.3 | 117.4 | -105.8 | 0 | 0 | 0 | 0 | 112.4 | Y1452 | C1450-Y1452 PolarHBondContact O-N 3.28Š| |||
| 1451 | H | 23.3 | Very low | 23.6 | Very low | 174 Ų | 174 | 138 Ų | 138 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -60.3 | 125.6 | 159.7 | -81.2 | -133.5 | 0 | 0 | 0 | 109.7 | ||||
| 1452 | Y | 23.9 | Very low | 23.8 | Very low | 215 Ų | 215 | 140.8 Ų | 140.8 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -109.3 | 88.3 | 152.8 | -113.4 | -83.6 | 0 | 0 | 0 | 110.1 | C1450 | C1450-Y1452 PolarHBondContact O-N 3.28Š| ||
| 1453 | L | 22 | Very low | 23.7 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 71% | 0.707 | 78% | 0.783 | S | S | * | * | trans | -86.1 | 149.4 | 149.9 | -95.2 | 168.8 | 0 | 0 | 0 | 108 | ||||
| 1454 | L | 23.6 | Very low | 24.1 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | 78.1 | 122.2 | 163 | -62.1 | 159.8 | 0 | 0 | 0 | 119.1 | ||||
| 1455 | A | 23.4 | Very low | 23.9 | Very low | 97 Ų | 97 | 143.3 Ų | 143.3 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | 76 | 147.9 | 133.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1456 | S | 23.8 | Very low | 24.1 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -82 | 152.1 | 175.9 | 48.7 | 0 | 0 | 0 | 0 | 112 | ||
| 1457 | T | 25.4 | Very low | 24 | Very low | 130 Ų | 130 | 149.4 Ų | 149.4 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | 56.7 | 97 | 153.8 | 54.3 | 0 | 0 | 0 | 0 | 116.2 | D1459 | T1457-D1459 PolarHBondContact O-N 3.39Š| ||
| 1458 | C | 23.4 | Very low | 23.8 | Very low | 129 Ų | 129 | 152.2 Ų | 152.2 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -64.8 | 123.5 | 154.6 | -57.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1459 | D | 24.7 | Very low | 23.8 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -142.5 | 106.9 | 150 | -144.4 | -14.4 | 0 | 0 | 0 | 105.1 | T1457 | T1457-D1459 PolarHBondContact O-N 3.39Š| ||
| 1460 | M | 22.2 | Very low | 24.2 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -117.2 | 107.7 | -177.3 | -81.5 | -74.9 | -69 | 0 | 0 | 106.7 | ||||
| 1461 | N | 24.9 | Very low | 24.2 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -139.6 | 146.1 | 166.2 | -100.6 | -29.4 | 0 | 0 | 0 | 109.6 | ||||
| 1462 | E | 24.6 | Very low | 24.2 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | 69.2 | 98.1 | 174.9 | -60.6 | 175 | 178.7 | 0 | 0 | 115.3 | ||||
| 1463 | L | 22.6 | Very low | 24.1 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | 65.4 | 99.5 | 85.5 | -86.8 | 135.7 | 0 | 0 | 0 | 113.6 | |||||
| 1464 | N | 27.9 | Very low | 24.4 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | -154.2 | 137 | 116.2 | -103.4 | -41.9 | 0 | 0 | 0 | 111.7 | |||||
| 1465 | Q | 21.1 | Very low | 24.3 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | -77.6 | 150.1 | 172.7 | -63 | 161.9 | -16.4 | 0 | 0 | 109 | ||||
| 1466 | H | 28.4 | Very low | 24.3 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | 165.7 | 116.4 | 127.1 | -91.6 | -75.3 | 0 | 0 | 0 | 111.6 | |||||
| 1467 | F | 22.9 | Very low | 24.4 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | trans | 60 | 153 | 142.2 | -73.6 | -121.9 | 0 | 0 | 0 | 119.7 | ||||
| 1468 | I | 23 | Very low | 24.2 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | cis | -155.1 | 152 | -30.5 | -114.8 | -177 | 0 | 0 | 0 | 104.3 | ||||
| 1469 | P | 25.9 | Very low | 24 | Very low | 113 Ų | 113 | 148 Ų | 148 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -81.2 | 151.2 | -165.7 | 32.1 | -36.6 | 0 | 0 | 0 | 114.6 | ||||
| 1470 | V | 28.4 | Very low | 23.9 | Very low | 152 Ų | 152 | 149 Ų | 149 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -114 | 133.8 | 155.1 | 178.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1471 | N | 22.4 | Very low | 23.9 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | -106.1 | 159.2 | -160.1 | -150.9 | 13.9 | 0 | 0 | 0 | 112.4 | ||||
| 1472 | N | 23.8 | Very low | 23.8 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | 61.6 | 110.6 | 158.1 | -63.1 | -17.6 | 0 | 0 | 0 | 120.4 | ||||
| 1473 | N | 22.2 | Very low | 23.9 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 68% | 0.684 | 77% | 0.765 | S | S | * | * | 43.1 | 116.9 | 119.8 | -54.5 | -3.6 | 0 | 0 | 0 | 119.5 | |||||
| 1474 | L | 27.1 | Very low | 23.9 | Very low | 183 Ų | 183 | 143.5 Ų | 143.5 | 96% | 0.958 | 76% | 0.762 | S | S | * | * | -129.2 | 117.2 | 128.6 | -146.5 | 78.8 | 0 | 0 | 0 | 109.6 | |||||
| 1475 | D | 22.8 | Very low | 23.9 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | trans | -80.4 | 154.3 | 179.5 | -75.6 | -66.3 | 0 | 0 | 0 | 112.4 | ||||
| 1476 | N | 22.4 | Very low | 24 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | 64.1 | 146.3 | 158.7 | -55.1 | -42 | 0 | 0 | 0 | 115.8 | ||||
| 1477 | V | 25.7 | Very low | 24.1 | Very low | 129 Ų | 129 | 143 Ų | 143 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | cis | -141.4 | 118.4 | 28.1 | 173.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1478 | I | 22.2 | Very low | 24.2 | Very low | 172 Ų | 172 | 141 Ų | 141 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | -133.8 | 91.1 | 158.3 | -57.3 | -177.9 | 0 | 0 | 0 | 108.7 | ||||
| 1479 | N | 19.6 | Very low | 24.4 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -146.4 | 111 | 165.6 | -108.9 | -27.3 | 0 | 0 | 0 | 108.6 | ||||
| 1480 | I | 22.8 | Very low | 24.3 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | -177 | 141.3 | 122.3 | -91.7 | 156 | 0 | 0 | 0 | 109.5 | |||||
| 1481 | H | 21.1 | Very low | 24.1 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 73% | 0.731 | 77% | 0.766 | S | S | * | * | trans | -90.6 | 161.1 | -175.9 | -121.5 | -91.2 | 0 | 0 | 0 | 112.4 | ||||
| 1482 | D | 22.1 | Very low | 24.1 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | 58.1 | 122.3 | 153.1 | -59.1 | -20.2 | 0 | 0 | 0 | 119 | ||||
| 1483 | S | 27.1 | Very low | 24 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | -176.1 | 144.8 | 67.6 | 40.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1484 | N | 22.3 | Very low | 24 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | trans | 4.8 | 129.2 | 156.9 | -43.4 | -70.2 | 0 | 0 | 0 | 120.5 | ||||
| 1485 | N | 28.8 | Very low | 23.8 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | -162.1 | 148.4 | 100.4 | -100.7 | -32.5 | 0 | 0 | 0 | 113.9 | |||||
| 1486 | D | 24 | Very low | 23.8 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -68.7 | 146.2 | 171.8 | -70 | -68.6 | 0 | 0 | 0 | 111.6 | ||||
| 1487 | I | 29 | Very low | 23.8 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | -178.2 | 117.4 | 121.4 | -90.9 | 153 | 0 | 0 | 0 | 112 | |||||
| 1488 | N | 25.2 | Very low | 23.8 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 30.5 | 138.3 | 148.5 | -56.7 | -47.8 | 0 | 0 | 0 | 124 | ||||
| 1489 | N | 26.5 | Very low | 23.8 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | 93.1 | 106.3 | 147.7 | -60.7 | -19.2 | 0 | 0 | 0 | 118.6 | ||||
| 1490 | D | 24.4 | Very low | 24 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | 17.8 | 115.9 | 126.6 | -56.3 | -20.8 | 0 | 0 | 0 | 117.3 | |||||
| 1491 | I | 24.3 | Very low | 24.1 | Very low | 157 Ų | 157 | 143 Ų | 143 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | -167.4 | 126.6 | 119.7 | -94.9 | 149.2 | 0 | 0 | 0 | 110.9 | |||||
| 1492 | N | 22.9 | Very low | 24.2 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | 24.8 | 107 | 154.4 | -51.1 | -19.8 | 0 | 0 | 0 | 120.2 | ||||
| 1493 | A | 22.5 | Very low | 24.2 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | trans | -84.2 | 103.9 | 143.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1494 | V | 22.3 | Very low | 23.9 | Very low | 118 Ų | 118 | 146 Ų | 146 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | trans | -125.6 | 100 | 158.7 | 175.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1495 | V | 21.9 | Very low | 23.8 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -111.6 | 129.3 | 164.5 | 174.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 1496 | L | 23 | Very low | 23.5 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -86.2 | 145.9 | 177.9 | -66.2 | 162.2 | 0 | 0 | 0 | 108.5 | ||||
| 1497 | Y | 22.3 | Very low | 23.9 | Very low | 225 Ų | 225 | 145 Ų | 145 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -92.9 | 136.9 | 160.8 | -71.9 | -94.8 | 0 | 0 | 0 | 107.8 | ||||
| 1498 | S | 25.3 | Very low | 23.6 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -146.4 | 138.2 | 165.8 | 52.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1499 | D | 23.5 | Very low | 23.4 | Very low | 144 Ų | 144 | 142 Ų | 142 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -93.5 | 164.3 | -163.2 | -51.5 | -73.9 | 0 | 0 | 0 | 113.7 | ||||
| 1500 | E | 23.8 | Very low | 23.2 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | 74.8 | 113.1 | 161.6 | -59.1 | -173 | -171.9 | 0 | 0 | 121 | ||||
| 1501 | N | 25.1 | Very low | 23 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | 68.8 | 111.7 | 140.4 | -63.6 | -24.9 | 0 | 0 | 0 | 123.3 | ||||
| 1502 | I | 23.1 | Very low | 23 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | 84.6 | 130.6 | 128.8 | -64.3 | 173.1 | 0 | 0 | 0 | 120.6 | |||||
| 1503 | F | 21.3 | Very low | 23 | Very low | 195 Ų | 195 | 132.2 Ų | 132.2 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | trans | 76.4 | 143.6 | 162.8 | -86.6 | -59.1 | 0 | 0 | 0 | 123.1 | ||||
| 1504 | D | 20.1 | Very low | 23 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 66% | 0.658 | 70% | 0.695 | S | S | * | * | trans | -72.9 | 149.1 | -177.3 | -51.9 | -85.8 | 0 | 0 | 0 | 114.4 | ||||
| 1505 | F | 20.3 | Very low | 23.1 | Very low | 202 Ų | 202 | 136.5 Ų | 136.5 | 89% | 0.886 | 71% | 0.706 | S | S | * | * | 178 | 163 | 102.1 | -113.1 | -90.7 | 0 | 0 | 0 | 113.3 | |||||
| 1506 | V | 22.3 | Very low | 23.1 | Very low | 123 Ų | 123 | 136 Ų | 136 | 75% | 0.745 | 70% | 0.703 | S | S | * | * | trans | -109.6 | 167 | -179.2 | 168 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1507 | P | 32.5 | Very low | 23 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | cis | -120.6 | -169.8 | -14.3 | 33.3 | -14.2 | 0 | 0 | 0 | 112.9 | ||||
| 1508 | C | 23.3 | Very low | 22.9 | Very low | 69 Ų | 69 | 134 Ų | 134 | 47% | 0.466 | 70% | 0.702 | S | S | . | * | -166.4 | 106.1 | 113.9 | -103 | 0 | 0 | 0 | 0 | 114.6 | N1095 | N1095-C1508 PolarHBondContact ND2-SG 3.4Å; N1095-C1508 PolarHBondContact OD1-SG 3.39Å | |||
| 1509 | E | 21.2 | Very low | 22.7 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | 47 | 101.5 | 120.9 | -71.6 | -174.7 | 173.1 | 0 | 0 | 122.4 | |||||
| 1510 | D | 21.6 | Very low | 22.7 | Very low | 121 Ų | 121 | 135 Ų | 135 | 65% | 0.647 | 70% | 0.699 | S | S | * | * | 101.9 | 150.8 | 95.6 | -140.8 | 9.8 | 0 | 0 | 0 | 120.7 | |||||
| 1511 | I | 21.8 | Very low | 23 | Very low | 55 Ų | 55 | 132.1 Ų | 132.1 | 28% | 0.282 | 70% | 0.695 | S | S | . | * | trans | 77.8 | 86.6 | 158.4 | -55.8 | 148.8 | 0 | 0 | 0 | 118.4 | R1099 | R1099-I1511 HydrophobicContact CB-CG2 4.32Å; R1099-I1511 HydrophobicContact CG-CB 4.33Å; R1099-I1511 HydrophobicContact CG-CD1 3.69Å; R1099-I1511 HydrophobicContact CG-CG1 3.61Å; R1099-I1511 HydrophobicContact CG-CG2 3.62Å | ||
| 1512 | Y | 24.1 | Very low | 22.8 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 55% | 0.545 | 70% | 0.701 | S | S | . | * | -153.6 | 117.2 | 87.1 | -121.6 | -70.2 | 0 | 0 | 0 | 112.7 | R1099 N1100 | R1099-Y1512 WeakPolarHBondContact CA-OH 3.32Å; R1099-Y1512 WeakPolarHBondContact CB-OH 3.41Å; N1100-Y1512 WeakPolarHBondContact CA-OH 3.43Å; N1100-Y1512 PolarHBondContact N-OH 3.42Å; N1100-Y1512 PolarHBondContact ND2-OH 3.31Å; N1100-Y1512 PolarHBondContact OD1-OH 2.83Å | |||
| 1513 | S | 22.3 | Very low | 22.9 | Very low | 65 Ų | 65 | 135 Ų | 135 | 46% | 0.455 | 70% | 0.696 | S | S | . | * | trans | -88.8 | 143.2 | -171 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1514 | N | 21.8 | Very low | 22.9 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | trans | 62.6 | 102.2 | 143.5 | -56.9 | -13.9 | 0 | 0 | 0 | 119.3 | ||||
| 1515 | N | 23.8 | Very low | 22.9 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 96% | 0.957 | 69% | 0.692 | S | S | * | * | trans | -96.5 | 94.5 | 137.1 | -84.1 | -30.7 | 0 | 0 | 0 | 108.1 | ||||
| 1516 | T | 23.8 | Very low | 23 | Very low | 122 Ų | 122 | 130 Ų | 130 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | trans | -67.8 | 154.3 | 177.7 | -17.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1517 | L | 20.2 | Very low | 23.3 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 83% | 0.832 | 69% | 0.691 | S | S | * | * | trans | -64.9 | 161.8 | 174.9 | -80 | 87.4 | 0 | 0 | 0 | 112.7 | ||||
| 1518 | H | 20.9 | Very low | 22.8 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 80% | 0.796 | 70% | 0.703 | S | S | * | * | trans | -30.3 | 136 | 156.9 | -79.6 | -86.1 | 0 | 0 | 0 | 114.5 | ||||
| 1519 | N | 21.2 | Very low | 22.6 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | -177.2 | 122.9 | 112 | -88.2 | -18.1 | 0 | 0 | 0 | 111.6 | |||||
| 1520 | N | 22.5 | Very low | 22.8 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | 158.8 | 133.7 | 128.7 | -85.2 | -0.9 | 0 | 0 | 0 | 112 | |||||
| 1521 | P | 29.2 | Very low | 22.8 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -103.7 | 134 | 160 | 35.3 | -25.6 | 0 | 0 | 0 | 111.3 | ||||
| 1522 | E | 21.3 | Very low | 22.8 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | 174.7 | 172.6 | 144.5 | -102.7 | 170.7 | -168.8 | 0 | 0 | 111.8 | ||||
| 1523 | Y | 26 | Very low | 22.7 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | trans | 74.7 | 114.4 | -169.5 | -71.2 | -92.4 | 0 | 0 | 0 | 115.5 | N1404 | N1404-Y1523 PolarHBondContact ND2-OH 3.44Å; N1404-Y1523 WeakPolarHBondContact OD1-CE2 3.34Å; N1404-Y1523 PolarHBondContact OD1-OH 3.25Å | ||
| 1524 | L | 20 | Very low | 22.6 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 72% | 0.723 | 79% | 0.792 | S | S | * | * | cis | 82.2 | 120.6 | 44.7 | -79.1 | 162.1 | 0 | 0 | 0 | 115.9 | ||||
| 1525 | N | 20.8 | Very low | 22.7 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 57.8 | 114.5 | 152 | -61.8 | -12.3 | 0 | 0 | 0 | 120.2 | ||||
| 1526 | T | 23.2 | Very low | 22.7 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | 170.1 | 173.4 | 106.6 | 39 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1527 | A | 28 | Very low | 22.7 | Very low | 87 Ų | 87 | 143 Ų | 143 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | 70.5 | 95.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1528 | L | 22.3 | Very low | 22.9 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | 65.6 | 124.7 | 84 | -89.7 | 91.7 | 0 | 0 | 0 | 115.1 | |||||
| 1529 | E | 18.9 | Very low | 23.2 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -42.9 | 138.9 | 169.5 | -58.6 | 163.7 | 157.2 | 0 | 0 | 113.4 | ||||
| 1530 | N | 25.8 | Very low | 23.4 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | trans | -160.2 | 148 | 149.5 | -96.2 | -58.2 | 0 | 0 | 0 | 109.8 | ||||
| 1531 | E | 20.3 | Very low | 23.4 | Very low | 177 Ų | 177 | 141 Ų | 141 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -70.1 | 163.1 | -161.3 | -77.8 | -152.5 | 145.6 | 0 | 0 | 117.1 | M1533 | E1531-M1533 PolarHBondContact O-N 2.87Š| ||
| 1532 | P | 23.3 | Very low | 23.2 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -64.4 | 118.5 | -177.8 | 25.2 | -35.9 | 0 | 0 | 0 | 113.3 | S1534 | P1532-S1534 PolarHBondContact O-N 3Š| ||
| 1533 | M | 21.8 | Very low | 23.4 | Very low | 186 Ų | 186 | 139.3 Ų | 139.3 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | -59.2 | 108 | 168.6 | -89.1 | -73.1 | -156.5 | 0 | 0 | 111.9 | E1531 | E1531-M1533 PolarHBondContact O-N 2.87Š| ||
| 1534 | S | 20.2 | Very low | 23.5 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -75.7 | 145.2 | 160.2 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | P1532 | P1532-S1534 PolarHBondContact O-N 3Š| ||
| 1535 | S | 22.7 | Very low | 23.7 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 171.4 | 154.4 | 142.3 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1536 | S | 23.8 | Very low | 23.9 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | 66.9 | 70.7 | 175.6 | 67.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1537 | T | 23.5 | Very low | 24.1 | Very low | 124 Ų | 124 | 140 Ų | 140 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | 62.8 | 110.4 | 91.1 | 64.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1538 | N | 25 | Very low | 23.8 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | -167.8 | 123.4 | 115.1 | -94.4 | -47.2 | 0 | 0 | 0 | 112.3 | |||||
| 1539 | N | 26.6 | Very low | 24.1 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 72.1 | 84.1 | 151.3 | -54.7 | -15.3 | 0 | 0 | 0 | 119.6 | ||||
| 1540 | I | 25.6 | Very low | 24.4 | Very low | 161 Ų | 161 | 139 Ų | 139 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | 35.4 | 118 | 110.2 | -58 | 174 | 0 | 0 | 0 | 116.7 | |||||
| 1541 | T | 22.6 | Very low | 24.7 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -106.7 | 136.3 | 168 | 47.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1542 | T | 25.7 | Very low | 25 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | -156.2 | 167.6 | 147.1 | 40.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1543 | D | 24.3 | Very low | 25 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | 70.5 | 82 | 172.5 | -53 | -12.6 | 0 | 0 | 0 | 117.4 | ||||
| 1544 | N | 28.1 | Very low | 25.3 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | -175.1 | 132 | 94.3 | -90.3 | -61.8 | 0 | 0 | 0 | 111.3 | |||||
| 1545 | A | 25.4 | Very low | 25.7 | Very low | 89 Ų | 89 | 136.3 Ų | 136.3 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -109.9 | -179.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1546 | I | 25 | Very low | 26 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | trans | 78.1 | 96.6 | 172.6 | -41.5 | 171.3 | 0 | 0 | 0 | 114.9 | ||||
| 1547 | I | 26.5 | Very low | 26.2 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | -168.3 | 137.7 | 108.9 | -90.8 | 166.8 | 0 | 0 | 0 | 108 | |||||
| 1548 | S | 22 | Very low | 26.6 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -88.4 | 153.6 | -177.8 | -49.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1549 | S | 29.7 | Very low | 26.5 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -156.3 | 119.3 | 155.3 | 59.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1550 | H | 23.6 | Very low | 26.8 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -76 | 145.5 | 171.2 | -64.7 | -31.1 | 0 | 0 | 0 | 112.3 | ||||
| 1551 | I | 32.4 | Very low | 26.8 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -144 | 142.3 | 142.8 | -62.6 | -169.9 | 0 | 0 | 0 | 108.2 | ||||
| 1552 | H | 26.7 | Very low | 27.1 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -80.3 | 165.4 | 179.2 | -74.9 | -106.2 | 0 | 0 | 0 | 114 | ||||
| 1553 | G | 22.6 | Very low | 27 | Very low | 58 Ų | 58 | 140.3 Ų | 140.3 | 60% | 0.598 | 78% | 0.778 | S | S | * | * | 115.7 | 91.6 | 120.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1554 | D | 28.8 | Very low | 27.2 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | 74.3 | 103.7 | 126.3 | -45.8 | -16.4 | 0 | 0 | 0 | 121.3 | |||||
| 1555 | D | 28.1 | Very low | 27.1 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | 88.6 | 142.9 | 117.1 | -66.3 | -7.5 | 0 | 0 | 0 | 124.8 | |||||
| 1556 | N | 29.6 | Very low | 27.1 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | 72.7 | 90.4 | 160.6 | -67.6 | -48.6 | 0 | 0 | 0 | 119.9 | ||||
| 1557 | N | 28.7 | Very low | 27.4 | Very low | 135 Ų | 135 | 143 Ų | 143 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | 35.9 | 115.2 | 111.6 | -64.5 | -28.7 | 0 | 0 | 0 | 117.9 | |||||
| 1558 | N | 31.6 | Very low | 27.5 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | -159.1 | 138.6 | 99.4 | -106.9 | -32.7 | 0 | 0 | 0 | 115.2 | |||||
| 1559 | L | 23.3 | Very low | 27.8 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | trans | -88 | 134.3 | 174.4 | 176.4 | 74.4 | 0 | 0 | 0 | 109.2 | T1561 | L1559-T1561 HydrophobicContact CD1-CG2 4.09Š| ||
| 1560 | T | 31.7 | Very low | 27.8 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | -151.2 | 86.3 | 147.9 | -20.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1561 | T | 26.5 | Very low | 28 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 61% | 0.607 | 77% | 0.773 | S | S | * | * | trans | -72.3 | 121.6 | 161.9 | 43.4 | 0 | 0 | 0 | 0 | 109.9 | L1559 | L1559-T1561 HydrophobicContact CD1-CG2 4.09Š| ||
| 1562 | H | 28.1 | Very low | 27.8 | Very low | 169 Ų | 169 | 141 Ų | 141 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | trans | -155.3 | 98.9 | 146.3 | -100.9 | -73.7 | 0 | 0 | 0 | 110.9 | ||||
| 1563 | L | 23.7 | Very low | 27.9 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | 27.9 | 113.2 | 113.2 | -66.3 | 160.2 | 0 | 0 | 0 | 117.1 | |||||
| 1564 | T | 29.5 | Very low | 28.2 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | -165.9 | 119.6 | 97.4 | 21.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1565 | K | 25.6 | Very low | 28.3 | Very low | 186 Ų | 186 | 144 Ų | 144 | 81% | 0.809 | 78% | 0.778 | S | S | * | * | trans | -77.3 | 160 | 151.4 | -68 | 172.4 | 179.8 | 169.2 | 0 | 107.5 | ||||
| 1566 | N | 24.4 | Very low | 28.7 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | 87 | 77.7 | 167.7 | -50.1 | -12.1 | 0 | 0 | 0 | 117.3 | ||||
| 1567 | T | 31.8 | Very low | 29 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -130.9 | 52 | 137.2 | 44 | 0 | 0 | 0 | 0 | 111.3 | I1569 | T1567-I1569 VanDerWaalsContact C-N 3.28Å; T1567-I1569 PolarHBondContact O-N 3.44Å; T1567-I1569 VanDerWaalsContact O-N 3.13Å | ||
| 1568 | T | 28.9 | Very low | 29 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | trans | -72.7 | 90.8 | 148.6 | 45.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1569 | I | 27.5 | Very low | 29.2 | Very low | 152 Ų | 152 | 147 Ų | 147 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | 173.6 | 105.3 | 150.5 | -86.9 | 146.2 | 0 | 0 | 0 | 105.8 | T1567 | T1567-I1569 VanDerWaalsContact C-N 3.28Å; T1567-I1569 PolarHBondContact O-N 3.44Å; T1567-I1569 VanDerWaalsContact O-N 3.13Å | ||
| 1570 | M | 29.7 | Very low | 29.7 | Very low | 145 Ų | 145 | 151.2 Ų | 151.2 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | trans | -168.1 | 113.9 | 132.8 | -99.1 | -54.3 | 172.1 | 0 | 0 | 108.9 | ||||
| 1571 | K | 28.5 | Very low | 30.1 | Very low | 182 Ų | 182 | 151.2 Ų | 151.2 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 44.7 | 97 | 145.3 | -64.7 | 170.6 | -174.8 | 171.3 | 0 | 116.9 | K1573 | K1571-K1573 PolarHBondContact O-N 3.49Š| ||
| 1572 | A | 27.8 | Very low | 30.9 | Very low | 101 Ų | 101 | 156.1 Ų | 156.1 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -48.7 | 120.5 | 150.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1573 | K | 28.8 | Very low | 31.9 | Very low | 201 Ų | 201 | 157.1 Ų | 157.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -163.1 | 141.8 | 148.9 | -108 | 164.1 | -173.9 | -176.5 | 0 | 110 | K1571 | K1571-K1573 PolarHBondContact O-N 3.49Š| ||
| 1574 | S | 29.3 | Very low | 33.1 | Very low | 108 Ų | 108 | 159.2 Ų | 159.2 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 78.8 | 129.3 | -179.3 | 78.9 | 0 | 0 | 0 | 0 | 118.8 | ||
| 1575 | N | 31.3 | Very low | 34.5 | Very low | 140 Ų | 140 | 160 Ų | 160 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | 85.8 | 47.2 | 149.8 | -58.5 | -7.7 | 0 | 0 | 0 | 122.4 | ||||
| 1576 | I | 36 | Very low | 36.7 | Very low | 177 Ų | 177 | 162.1 Ų | 162.1 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | trans | -131.5 | 85.3 | 143.4 | -52 | -178.8 | 0 | 0 | 0 | 112.4 | ||||
| 1577 | K | 35.3 | Very low | 39.8 | Very low | 153 Ų | 153 | 159.1 Ų | 159.1 | 67% | 0.665 | 78% | 0.782 | S | S | * | * | trans | -148.9 | 124.8 | 160 | -114 | 174.2 | 176.2 | 174.3 | 0 | 104.8 | ||||
| 1578 | Y | 30.5 | Very low | 42.6 | Very low | 199 Ų | 199 | 155.9 Ų | 155.9 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | cis | -139.4 | 141.1 | 23.5 | -84.8 | -91.7 | 0 | 0 | 0 | 114.6 | Y1580 | Y1578-Y1580 PolarHBondContact O-N 2.87Š| ||
| 1579 | S | 34.1 | Very low | 45.8 | Very low | 108 Ų | 108 | 154.2 Ų | 154.2 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -89.6 | 97.6 | 170.6 | -174.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1580 | Y | 34.5 | Very low | 49 | Very low | 224 Ų | 224 | 147 Ų | 147 | 88% | 0.878 | 71% | 0.705 | S | S | * | * | trans | -128.3 | 42.1 | 169.2 | -141.2 | -90.4 | 0 | 0 | 0 | 114.4 | Y1578 | Y1578-Y1580 PolarHBondContact O-N 2.87Š| ||
| 1581 | N | 41 | Very low | 52 | Low | 137 Ų | 137 | 145.2 Ų | 145.2 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | trans | -115 | 20.6 | 174.1 | -100.1 | -53.6 | 0 | 0 | 0 | 114.4 | K1583 | N1581-K1583 VanDerWaalsContact C-N 3.33Å; N1581-K1583 PolarHBondContact O-N 3.3Å | ||
| 1582 | K | 42.1 | Very low | 55 | Low | 203 Ų | 203 | 141.1 Ų | 141.1 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 57.5 | -175.7 | -153.9 | 170.3 | -175.3 | 175.2 | 0 | 114.3 | ||
| 1583 | K | 49 | Very low | 58.2 | Low | 189 Ų | 189 | 138.3 Ų | 138.3 | 82% | 0.822 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | 25.9 | 160.7 | -124.2 | 162 | -167 | 155.8 | 0 | 114.6 | N1581 Q1585 | N1581-K1583 VanDerWaalsContact C-N 3.33Å; N1581-K1583 PolarHBondContact O-N 3.3Å; K1583-Q1585 VanDerWaalsContact C-N 3.27Å; K1583-Q1585 PolarHBondContact O-N 2.84Å |
| 1584 | F | 50.4 | Low | 61.2 | Low | 184 Ų | 184 | 135.8 Ų | 135.8 | 81% | 0.807 | 65% | 0.653 | S | S | * | * | trans | -68.3 | 85.1 | 151.6 | -74.1 | -88.8 | 0 | 0 | 0 | 109.6 | R1586 | F1584-R1586 PolarHBondContact O-N 2.77Š| ||
| 1585 | Q | 58.8 | Low | 64.3 | Low | 160 Ų | 160 | 136.5 Ų | 136.5 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | trans | -60.9 | 108.2 | 156.1 | -80.8 | -177 | -24.9 | 0 | 0 | 107.3 | K1583 L1587 | K1583-Q1585 VanDerWaalsContact C-N 3.27Å; K1583-Q1585 PolarHBondContact O-N 2.84Å; Q1585-L1587 PolarHBondContact O-N 3.48Å; Q1585-L1587 VanDerWaalsContact O-N 3.08Å | ||
| 1586 | R | 71.1 | Confident | 67.3 | Low | 229 Ų | 229 | 133.9 Ų | 133.9 | 86% | 0.864 | 63% | 0.631 | S | S | * | * | trans | -47.2 | 115.1 | 177.8 | -165.4 | 173.1 | -176.7 | 174.1 | 0.9 | 108.5 | F1584 | F1584-R1586 PolarHBondContact O-N 2.77Š| ||
| 1587 | L | 88.5 | Confident | 70.2 | Confident | 81 Ų | 81 | 127.4 Ų | 127.4 | 42% | 0.424 | 60% | 0.597 | S | S | . | * | trans | -74 | 137.5 | -178.3 | -68.4 | 173.1 | 0 | 0 | 0 | 109.1 | Q1585 N1589 T1598 | Q1585-L1587 PolarHBondContact O-N 3.48Å; Q1585-L1587 VanDerWaalsContact O-N 3.08Å; L1587-N1589 PolarHBondContact O-N 3.36Å; L1587-N1589 PolarHBondContact O-OD1 2.81Å; L1587-T1598 HydrophobicContact CD2-CG2 4.23Å | ||
| 1588 | F | 92.2 | Very high | 73 | Confident | 76 Ų | 76 | 125.2 Ų | 125.2 | 33% | 0.333 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.7 | 107.3 | -178.3 | -64.3 | -85.2 | 0 | 0 | 0 | 108.5 | F1597 K1599 N1600 L1603 | F1588-F1597 HydrophobicContact CB-CB 4.41Å; F1588-F1597 PolarHBondContact N-O 3.27Å; F1588-F1597 WeakPolarHBondContact O-CB 3.49Å; F1588-F1597 WeakPolarHBondContact O-CD2 3.26Å; F1588-F1597 PolarHBondContact O-N 3.01Å; F1588-K1599 VanDerWaalsContact CD2-C 3.45Å; F1588-N1600 HydrophobicContact CD1-CB 3.59Å; F1588-N1600 HydrophobicContact CD2-CB 4.27Å; F1588-N1600 HydrophobicContact CE1-CB 3.5Å; F1588-N1600 VanDerWaalsContact CE1-CB 3.5Å; F1588-N1600 HydrophobicContact CE2-CB 4.17Å; F1588-N1600 HydrophobicContact CG-CB 4Å; F1588-N1600 HydrophobicContact CZ-CB 3.8Å; F1588-L1603 HydrophobicContact CB-CB 3.85Å; F1588-L1603 HydrophobicContact CB-CD2 3.75Å; F1588-L1603 HydrophobicContact CB-CG 4.4Å |
| 1589 | N | 94.7 | Very high | 76 | Confident | 89 Ų | 89 | 122 Ų | 122 | 48% | 0.476 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 132 | -173.5 | -61.8 | -12.7 | 0 | 0 | 0 | 110.2 | L1587 T1591 T1596 | L1587-N1589 PolarHBondContact O-N 3.36Å; L1587-N1589 PolarHBondContact O-OD1 2.81Å; N1589-T1591 PolarHBondContact O-N 2.85Å; N1589-T1596 WeakPolarHBondContact OD1-CB 3.47Å; N1589-T1596 WeakPolarHBondContact OD1-CG2 3.15Å |
| 1590 | C | 95.1 | Very high | 79 | Confident | 1 Ų | 1 | 120.5 Ų | 120.5 | 1% | 0.007 | 57% | 0.57 | C | S | . | * | trans | -74.4 | 122.6 | 175.2 | -178 | 0 | 0 | 0 | 0 | 110.9 | I1592 C1593 H1594 K1595 F1597 L1603 H1610 | C1590-I1592 VanDerWaalsContact C-N 3.25Å; C1590-I1592 PolarHBondContact O-N 2.84Å; C1590-C1593 PolarHBondContact O-N 3.16Å; C1590-H1594 WeakPolarHBondContact O-CA 3.21Å; C1590-H1594 PolarHBondContact O-N 2.98Å; C1590-K1595 PolarHBondContact N-O 2.9Å; C1590-F1597 HydrophobicContact CB-CE2 4.28Å; C1590-L1603 VanDerWaalsContact CA-CD1 3.44Å; C1590-L1603 HydrophobicContact CB-CD1 3.48Å; C1590-L1603 VanDerWaalsContact CB-CD1 3.48Å; C1590-H1610 PolarHBondContact SG-CD2 3.45Å; C1590-H1610 PolarHBondContact SG-NE2 3.09Å | ||
| 1591 | T | 92.8 | Very high | 81.8 | Confident | 107 Ų | 107 | 113.6 Ų | 113.6 | 66% | 0.656 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -34 | 179.2 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | N1589 H1594 | N1589-T1591 PolarHBondContact O-N 2.85Å; T1591-H1594 PolarHBondContact O-CE1 3.46Å |
| 1592 | I | 92.2 | Very high | 84.4 | Confident | 97 Ų | 97 | 108.4 Ų | 108.4 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -23.1 | -172.3 | -62.6 | 169.5 | 0 | 0 | 0 | 113.7 | C1590 H1610 | C1590-I1592 VanDerWaalsContact C-N 3.25Å; C1590-I1592 PolarHBondContact O-N 2.84Å; I1592-H1610 HydrophobicContact CB-CB 4.4Å; I1592-H1610 HydrophobicContact CD1-CB 3.56Å; I1592-H1610 HydrophobicContact CG2-CB 4.08Å |
| 1593 | C | 94.9 | Very high | 87 | Confident | 42 Ų | 42 | 99.4 Ų | 99.4 | 28% | 0.284 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.8 | 12.2 | -179.6 | 76.9 | 0 | 0 | 0 | 0 | 115.4 | C1590 K1595 H1606 H1610 | C1590-C1593 PolarHBondContact O-N 3.16Å; C1593-K1595 PolarHBondContact O-N 3.47Å; C1593-H1606 PolarHBondContact SG-NE2 3.3Å; C1593-H1610 VanDerWaalsContact SG-CE1 3.54Å; C1593-H1610 PolarHBondContact SG-NE2 3.34Å; C1593-H1610 VanDerWaalsContact SG-NE2 3.39Å |
| 1594 | H | 92.1 | Very high | 89.1 | Confident | 148 Ų | 148 | 94 Ų | 94 | 69% | 0.685 | 47% | 0.47 | S | S | * | . | trans | 52.4 | 20 | 175 | -44.4 | -64.7 | 0 | 0 | 0 | 115.4 | C1590 T1591 | C1590-H1594 WeakPolarHBondContact O-CA 3.21Å; C1590-H1594 PolarHBondContact O-N 2.98Å; T1591-H1594 PolarHBondContact O-CE1 3.46Å | ||
| 1595 | K | 94.8 | Very high | 91.3 | Very high | 122 Ų | 122 | 90.2 Ų | 90.2 | 53% | 0.53 | 45% | 0.45 | S | S | . | . | trans | -71.5 | 130.9 | 172.2 | -74.3 | 177.5 | -173.1 | 165.5 | 0 | 109.8 | C1590 C1593 F1597 | C1590-K1595 PolarHBondContact N-O 2.9Å; C1593-K1595 PolarHBondContact O-N 3.47Å; K1595-F1597 HydrophobicContact CB-CE2 3.66Å; K1595-F1597 HydrophobicContact CB-CZ 3.87Å; K1595-F1597 VanDerWaalsContact O-CD2 3.3Å; K1595-F1597 WeakPolarHBondContact O-CD2 3.48Å; K1595-F1597 VanDerWaalsContact O-CE2 3.22Å; K1595-F1597 WeakPolarHBondContact O-CE2 3.24Å | ||
| 1596 | T | 94.2 | Very high | 93 | Very high | 85 Ų | 85 | 83.6 Ų | 83.6 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 136.7 | -177.6 | 71.7 | 0 | 0 | 0 | 0 | 110.8 | N1589 | N1589-T1596 WeakPolarHBondContact OD1-CB 3.47Å; N1589-T1596 WeakPolarHBondContact OD1-CG2 3.15Å |
| 1597 | F | 95.5 | Very high | 94.1 | Very high | 42 Ų | 42 | 74.8 Ų | 74.8 | 18% | 0.184 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 139.7 | -176.9 | -61.7 | -88 | 0 | 0 | 0 | 110.4 | F1588 C1590 K1595 K1599 L1603 H1606 | F1588-F1597 HydrophobicContact CB-CB 4.41Å; F1588-F1597 PolarHBondContact N-O 3.27Å; F1588-F1597 WeakPolarHBondContact O-CB 3.49Å; F1588-F1597 WeakPolarHBondContact O-CD2 3.26Å; F1588-F1597 PolarHBondContact O-N 3.01Å; C1590-F1597 HydrophobicContact CB-CE2 4.28Å; K1595-F1597 HydrophobicContact CB-CE2 3.66Å; K1595-F1597 HydrophobicContact CB-CZ 3.87Å; K1595-F1597 VanDerWaalsContact O-CD2 3.3Å; K1595-F1597 WeakPolarHBondContact O-CD2 3.48Å; K1595-F1597 VanDerWaalsContact O-CE2 3.22Å; K1595-F1597 WeakPolarHBondContact O-CE2 3.24Å; F1597-K1599 PolarHBondContact O-N 2.74Å; F1597-L1603 HydrophobicContact CB-CB 4.21Å; F1597-L1603 HydrophobicContact CD2-CB 3.97Å; F1597-L1603 HydrophobicContact CD2-CD1 3.7Å; F1597-L1603 HydrophobicContact CD2-CG 4.47Å; F1597-L1603 HydrophobicContact CE2-CD1 3.93Å; F1597-L1603 HydrophobicContact CG-CB 4.25Å; F1597-H1606 HydrophobicContact CE1-CB 3.92Å; F1597-H1606 HydrophobicContact CE2-CB 4.01Å; F1597-H1606 AromaticContact CE2-CD2 3.3Å; F1597-H1606 WeakPolarHBondContact CE2-CD2 3.25Å; F1597-H1606 AromaticContact CE2-CG 3.71Å; F1597-H1606 HydrophobicContact CZ-CB 3.49Å; F1597-H1606 VanDerWaalsContact CZ-CB 3.49Å; F1597-H1606 AromaticContact CZ-CD2 3.32Å; F1597-H1606 WeakPolarHBondContact CZ-CD2 3.37Å; F1597-H1606 AromaticContact CZ-CG 3.25Å; F1597-H1606 AromaticContact CZ-ND1 3.91Å; F1597-H1606 AromaticContact CZ-NE2 3.98Å |
| 1598 | T | 94.7 | Very high | 94.4 | Very high | 106 Ų | 106 | 74.4 Ų | 74.4 | 65% | 0.65 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -79.7 | -0.1 | -178.4 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | L1587 | L1587-T1598 HydrophobicContact CD2-CG2 4.23Š|
| 1599 | K | 94.5 | Very high | 94.4 | Very high | 133 Ų | 133 | 75.8 Ų | 75.8 | 58% | 0.578 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -151.6 | 136 | -179.4 | -65.2 | -168.6 | 177.2 | -166.5 | 0 | 109.7 | F1588 F1597 S1601 S1602 L1603 | F1588-K1599 VanDerWaalsContact CD2-C 3.45Å; F1597-K1599 PolarHBondContact O-N 2.74Å; K1599-S1601 VanDerWaalsContact C-N 3.29Å; K1599-S1601 PolarHBondContact O-N 2.92Å; K1599-S1602 WeakPolarHBondContact O-CB 3.24Å; K1599-S1602 PolarHBondContact O-N 2.89Å; K1599-L1603 PolarHBondContact O-N 3.13Å |
| 1600 | N | 95.6 | Very high | 94.2 | Very high | 75 Ų | 75 | 74.1 Ų | 74.1 | 40% | 0.401 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56 | -43.3 | 178.6 | -160.9 | 9.2 | 0 | 0 | 0 | 112.4 | F1588 S1602 L1603 I1604 | F1588-N1600 HydrophobicContact CD1-CB 3.59Å; F1588-N1600 HydrophobicContact CD2-CB 4.27Å; F1588-N1600 HydrophobicContact CE1-CB 3.5Å; F1588-N1600 VanDerWaalsContact CE1-CB 3.5Å; F1588-N1600 HydrophobicContact CE2-CB 4.17Å; F1588-N1600 HydrophobicContact CG-CB 4Å; F1588-N1600 HydrophobicContact CZ-CB 3.8Å; N1600-S1602 PolarHBondContact O-N 3.46Å; N1600-L1603 CarbonylContact O-C 3.38Å; N1600-L1603 WeakPolarHBondContact O-CA 3.43Å; N1600-L1603 WeakPolarHBondContact O-CB 3.34Å; N1600-L1603 PolarHBondContact O-N 3.18Å; N1600-I1604 WeakPolarHBondContact O-CG1 3.46Å; N1600-I1604 PolarHBondContact O-N 3.34Å |
| 1601 | S | 94.3 | Very high | 94 | Very high | 79 Ų | 79 | 78.7 Ų | 78.7 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.9 | -21.5 | 176.3 | 60 | 0 | 0 | 0 | 0 | 114.6 | K1599 R1605 | K1599-S1601 VanDerWaalsContact C-N 3.29Å; K1599-S1601 PolarHBondContact O-N 2.92Å; S1601-R1605 WeakPolarHBondContact O-CB 3.49Å; S1601-R1605 PolarHBondContact O-N 3.18Å |
| 1602 | S | 95.8 | Very high | 93.8 | Very high | 29 Ų | 29 | 83.8 Ų | 83.8 | 20% | 0.203 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -84.1 | -31.3 | 171.2 | -65.8 | 0 | 0 | 0 | 0 | 112.9 | K1599 N1600 H1606 | K1599-S1602 WeakPolarHBondContact O-CB 3.24Å; K1599-S1602 PolarHBondContact O-N 2.89Å; N1600-S1602 PolarHBondContact O-N 3.46Å; S1602-H1606 WeakPolarHBondContact O-CB 3.42Å; S1602-H1606 PolarHBondContact O-N 2.79Å |
| 1603 | L | 95.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 83.4 Ų | 83.4 | 7% | 0.068 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.9 | -56.6 | 170.5 | 172.4 | 60.8 | 0 | 0 | 0 | 110.9 | F1588 C1590 F1597 K1599 N1600 R1605 H1606 E1607 | F1588-L1603 HydrophobicContact CB-CB 3.85Å; F1588-L1603 HydrophobicContact CB-CD2 3.75Å; F1588-L1603 HydrophobicContact CB-CG 4.4Å; C1590-L1603 VanDerWaalsContact CA-CD1 3.44Å; C1590-L1603 HydrophobicContact CB-CD1 3.48Å; C1590-L1603 VanDerWaalsContact CB-CD1 3.48Å; F1597-L1603 HydrophobicContact CB-CB 4.21Å; F1597-L1603 HydrophobicContact CD2-CB 3.97Å; F1597-L1603 HydrophobicContact CD2-CD1 3.7Å; F1597-L1603 HydrophobicContact CD2-CG 4.47Å; F1597-L1603 HydrophobicContact CE2-CD1 3.93Å; F1597-L1603 HydrophobicContact CG-CB 4.25Å; K1599-L1603 PolarHBondContact O-N 3.13Å; N1600-L1603 CarbonylContact O-C 3.38Å; N1600-L1603 WeakPolarHBondContact O-CA 3.43Å; N1600-L1603 WeakPolarHBondContact O-CB 3.34Å; N1600-L1603 PolarHBondContact O-N 3.18Å; L1603-R1605 PolarHBondContact O-N 3.47Å; L1603-R1605 VanDerWaalsContact O-N 3.16Å; L1603-H1606 CarbonylContact O-C 3.47Å; L1603-H1606 VanDerWaalsContact O-CA 3.3Å; L1603-H1606 WeakPolarHBondContact O-CA 3.4Å; L1603-H1606 VanDerWaalsContact O-CB 3.27Å; L1603-H1606 WeakPolarHBondContact O-CB 3.34Å; L1603-H1606 PolarHBondContact O-N 3.47Å; L1603-E1607 HydrophobicContact CD1-CG 3.83Å; L1603-E1607 WeakPolarHBondContact CD1-OE1 3.46Å; L1603-E1607 HydrophobicContact CG-CG 4.26Å; L1603-E1607 PolarHBondContact O-N 2.87Å |
| 1604 | I | 94.4 | Very high | 93.7 | Very high | 76 Ų | 76 | 86.4 Ų | 86.4 | 39% | 0.39 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -52.7 | -43.6 | 179.6 | -65.4 | 164.9 | 0 | 0 | 0 | 111.1 | N1600 H1606 E1607 R1608 | N1600-I1604 WeakPolarHBondContact O-CG1 3.46Å; N1600-I1604 PolarHBondContact O-N 3.34Å; I1604-H1606 VanDerWaalsContact C-N 3.28Å; I1604-H1606 PolarHBondContact O-N 3.17Å; I1604-E1607 PolarHBondContact O-N 2.84Å; I1604-R1608 WeakPolarHBondContact O-CG 3.35Å; I1604-R1608 PolarHBondContact O-N 2.74Å |
| 1605 | R | 95.1 | Very high | 93.8 | Very high | 104 Ų | 104 | 82.4 Ų | 82.4 | 39% | 0.392 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.8 | -26.6 | 177.6 | -174.3 | 175.4 | 69 | 148.8 | -14.3 | 113.5 | S1601 L1603 Q1627 | S1601-R1605 WeakPolarHBondContact O-CB 3.49Å; S1601-R1605 PolarHBondContact O-N 3.18Å; L1603-R1605 PolarHBondContact O-N 3.47Å; L1603-R1605 VanDerWaalsContact O-N 3.16Å; R1605-Q1627 HydrophobicContact CG-CG 3.88Å |
| 1606 | H | 94.2 | Very high | 93.9 | Very high | 21 Ų | 21 | 79.5 Ų | 79.5 | 10% | 0.097 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -79.6 | -39.4 | 172.7 | 164.5 | 63.9 | 0 | 0 | 0 | 111.9 | C1593 F1597 S1602 L1603 I1604 R1608 I1609 H1610 | C1593-H1606 PolarHBondContact SG-NE2 3.3Å; F1597-H1606 HydrophobicContact CE1-CB 3.92Å; F1597-H1606 HydrophobicContact CE2-CB 4.01Å; F1597-H1606 AromaticContact CE2-CD2 3.3Å; F1597-H1606 WeakPolarHBondContact CE2-CD2 3.25Å; F1597-H1606 AromaticContact CE2-CG 3.71Å; F1597-H1606 HydrophobicContact CZ-CB 3.49Å; F1597-H1606 VanDerWaalsContact CZ-CB 3.49Å; F1597-H1606 AromaticContact CZ-CD2 3.32Å; F1597-H1606 WeakPolarHBondContact CZ-CD2 3.37Å; F1597-H1606 AromaticContact CZ-CG 3.25Å; F1597-H1606 AromaticContact CZ-ND1 3.91Å; F1597-H1606 AromaticContact CZ-NE2 3.98Å; S1602-H1606 WeakPolarHBondContact O-CB 3.42Å; S1602-H1606 PolarHBondContact O-N 2.79Å; L1603-H1606 CarbonylContact O-C 3.47Å; L1603-H1606 VanDerWaalsContact O-CA 3.3Å; L1603-H1606 WeakPolarHBondContact O-CA 3.4Å; L1603-H1606 VanDerWaalsContact O-CB 3.27Å; L1603-H1606 WeakPolarHBondContact O-CB 3.34Å; L1603-H1606 PolarHBondContact O-N 3.47Å; I1604-H1606 VanDerWaalsContact C-N 3.28Å; I1604-H1606 PolarHBondContact O-N 3.17Å; H1606-R1608 VanDerWaalsContact C-N 3.25Å; H1606-R1608 PolarHBondContact O-N 3.41Å; H1606-I1609 WeakPolarHBondContact O-CB 3.47Å; H1606-I1609 VanDerWaalsContact O-CG1 3.27Å; H1606-I1609 WeakPolarHBondContact O-CG1 3.15Å; H1606-I1609 PolarHBondContact O-N 3.05Å; H1606-H1610 AromaticContact CD2-NE2 3.87Å; H1606-H1610 AromaticContact CE1-CE1 3.85Å; H1606-H1610 AromaticContact CE1-NE2 3.42Å; H1606-H1610 PolarHBondContact CE1-NE2 3.44Å; H1606-H1610 AromaticContact NE2-CD2 3.95Å; H1606-H1610 AromaticContact NE2-CE1 3.82Å; H1606-H1610 AromaticContact NE2-NE2 3.02Å; H1606-H1610 PolarHBondContact NE2-NE2 2.74Å |
| 1607 | E | 94.4 | Very high | 94 | Very high | 45 Ų | 45 | 78.9 Ų | 78.9 | 21% | 0.21 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.4 | -28.4 | -179.8 | -72.5 | 169.6 | 153.1 | 0 | 0 | 113.3 | L1603 I1604 I1609 H1610 N1611 | L1603-E1607 HydrophobicContact CD1-CG 3.83Å; L1603-E1607 WeakPolarHBondContact CD1-OE1 3.46Å; L1603-E1607 HydrophobicContact CG-CG 4.26Å; L1603-E1607 PolarHBondContact O-N 2.87Å; I1604-E1607 PolarHBondContact O-N 2.84Å; E1607-I1609 PolarHBondContact O-N 3.08Å; E1607-H1610 PolarHBondContact O-N 3.15Å; E1607-N1611 PolarHBondContact O-N 3.44Å |
| 1608 | R | 94.6 | Very high | 94.1 | Very high | 72 Ų | 72 | 76.9 Ų | 76.9 | 27% | 0.272 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -51.1 | -24 | 166 | -70.7 | 175.3 | -169.9 | -171.5 | -3 | 114 | I1604 H1606 R1612 I1613 T1626 | I1604-R1608 WeakPolarHBondContact O-CG 3.35Å; I1604-R1608 PolarHBondContact O-N 2.74Å; H1606-R1608 VanDerWaalsContact C-N 3.25Å; H1606-R1608 PolarHBondContact O-N 3.41Å; R1608-R1612 CarbonylContact O-C 3.57Å; R1608-R1612 VanDerWaalsContact O-CA 3.31Å; R1608-R1612 WeakPolarHBondContact O-CA 3.43Å; R1608-R1612 PolarHBondContact O-N 3.46Å; R1608-R1612 VanDerWaalsContact O-N 3.15Å; R1608-I1613 PolarHBondContact O-N 3Å; R1608-I1613 VanDerWaalsContact O-N 3.12Å; R1608-T1626 WeakPolarHBondContact CD-O 3.18Å; R1608-T1626 PolarHBondContact NH1-O 3.18Å |
| 1609 | I | 92.4 | Very high | 94 | Very high | 105 Ų | 105 | 79.7 Ų | 79.7 | 54% | 0.538 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.1 | -40.1 | 175.5 | -56.6 | 173.1 | 0 | 0 | 0 | 110.9 | H1606 E1607 R1612 | H1606-I1609 WeakPolarHBondContact O-CB 3.47Å; H1606-I1609 VanDerWaalsContact O-CG1 3.27Å; H1606-I1609 WeakPolarHBondContact O-CG1 3.15Å; H1606-I1609 PolarHBondContact O-N 3.05Å; E1607-I1609 PolarHBondContact O-N 3.08Å; I1609-R1612 PolarHBondContact O-N 3.01Å |
| 1610 | H | 92 | Very high | 94 | Very high | 54 Ų | 54 | 80.4 Ų | 80.4 | 25% | 0.25 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -73.3 | -49.7 | -180 | -57.6 | -51.5 | 0 | 0 | 0 | 111.2 | C1590 I1592 C1593 H1606 E1607 R1612 | C1590-H1610 PolarHBondContact SG-CD2 3.45Å; C1590-H1610 PolarHBondContact SG-NE2 3.09Å; I1592-H1610 HydrophobicContact CB-CB 4.4Å; I1592-H1610 HydrophobicContact CD1-CB 3.56Å; I1592-H1610 HydrophobicContact CG2-CB 4.08Å; C1593-H1610 VanDerWaalsContact SG-CE1 3.54Å; C1593-H1610 PolarHBondContact SG-NE2 3.34Å; C1593-H1610 VanDerWaalsContact SG-NE2 3.39Å; H1606-H1610 AromaticContact CD2-NE2 3.87Å; H1606-H1610 AromaticContact CE1-CE1 3.85Å; H1606-H1610 AromaticContact CE1-NE2 3.42Å; H1606-H1610 PolarHBondContact CE1-NE2 3.44Å; H1606-H1610 AromaticContact NE2-CD2 3.95Å; H1606-H1610 AromaticContact NE2-CE1 3.82Å; H1606-H1610 AromaticContact NE2-NE2 3.02Å; H1606-H1610 PolarHBondContact NE2-NE2 2.74Å; E1607-H1610 PolarHBondContact O-N 3.15Å; H1610-R1612 PolarHBondContact O-N 3.01Å; H1610-R1612 VanDerWaalsContact O-N 3.12Å |
| 1611 | N | 90.5 | Very high | 94 | Very high | 97 Ų | 97 | 80 Ų | 80 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -71.4 | -7.5 | 178.1 | -56.2 | 7 | 0 | 0 | 0 | 111.6 | E1607 I1613 | E1607-N1611 PolarHBondContact O-N 3.44Å; N1611-I1613 HydrophobicContact CB-CD1 3.61Å; N1611-I1613 HydrophobicContact CB-CG1 3.69Å; N1611-I1613 PolarHBondContact O-N 3.27Å |
| 1612 | R | 88.7 | Confident | 94 | Very high | 215 Ų | 215 | 78.7 Ų | 78.7 | 81% | 0.811 | 39% | 0.386 | S | S | * | . | trans | 56.5 | 15.2 | -175 | -53.5 | -177.8 | -178.1 | -173.4 | 2 | 114.5 | R1608 I1609 H1610 K1614 | R1608-R1612 CarbonylContact O-C 3.57Å; R1608-R1612 VanDerWaalsContact O-CA 3.31Å; R1608-R1612 WeakPolarHBondContact O-CA 3.43Å; R1608-R1612 PolarHBondContact O-N 3.46Å; R1608-R1612 VanDerWaalsContact O-N 3.15Å; I1609-R1612 PolarHBondContact O-N 3.01Å; H1610-R1612 PolarHBondContact O-N 3.01Å; H1610-R1612 VanDerWaalsContact O-N 3.12Å; R1612-K1614 PolarHBondContact O-N 3.13Å | ||
| 1613 | I | 91 | Very high | 94 | Very high | 89 Ų | 89 | 78.9 Ų | 78.9 | 46% | 0.456 | 39% | 0.389 | S | S | . | . | trans | -69.7 | 123.2 | -177.8 | -59.8 | 170.3 | 0 | 0 | 0 | 109.7 | R1608 N1611 | R1608-I1613 PolarHBondContact O-N 3Å; R1608-I1613 VanDerWaalsContact O-N 3.12Å; N1611-I1613 HydrophobicContact CB-CD1 3.61Å; N1611-I1613 HydrophobicContact CB-CG1 3.69Å; N1611-I1613 PolarHBondContact O-N 3.27Å | ||
| 1614 | K | 94.1 | Very high | 94 | Very high | 104 Ų | 104 | 80.2 Ų | 80.2 | 45% | 0.452 | 40% | 0.4 | S | S | . | . | trans | -123.4 | 81.3 | 179.9 | -75 | 166.7 | 148 | -138.4 | 0 | 108.8 | R1612 F1616 S1624 F1625 T1626 | R1612-K1614 PolarHBondContact O-N 3.13Å; K1614-F1616 VanDerWaalsContact C-N 3.25Å; K1614-F1616 PolarHBondContact O-N 3.32Å; K1614-S1624 WeakPolarHBondContact CD-O 3.4Å; K1614-S1624 WeakPolarHBondContact CD-OG 3.49Å; K1614-S1624 WeakPolarHBondContact CE-O 3.41Å; K1614-S1624 PolarHBondContact NZ-O 3.42Å; K1614-F1625 CarbonylContact C-O 3.27Å; K1614-F1625 VanDerWaalsContact CA-O 3.29Å; K1614-F1625 WeakPolarHBondContact CA-O 3.49Å; K1614-T1626 HydrophobicContact CG-CG2 3.76Å | ||
| 1615 | P | 92.8 | Very high | 94.1 | Very high | 65 Ų | 65 | 78.8 Ų | 78.8 | 42% | 0.422 | 39% | 0.391 | S | S | . | . | trans | -77.4 | -8 | -166.2 | 31.5 | -33.9 | 0 | 0 | 0 | 113.9 | F1625 | P1615-F1625 WeakPolarHBondContact CD-O 3.44Š| ||
| 1616 | F | 96.7 | Very high | 94.1 | Very high | 61 Ų | 61 | 75.5 Ų | 75.5 | 27% | 0.268 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 104.8 | -178.7 | -54.5 | -72.4 | 0 | 0 | 0 | 109.4 | K1614 S1624 F1625 S1628 L1631 | K1614-F1616 VanDerWaalsContact C-N 3.25Å; K1614-F1616 PolarHBondContact O-N 3.32Å; F1616-S1624 CarbonylContact O-C 3.59Å; F1616-S1624 WeakPolarHBondContact O-CA 3.37Å; F1616-F1625 HydrophobicContact CB-CB 4.37Å; F1616-F1625 PolarHBondContact N-O 3.11Å; F1616-F1625 PolarHBondContact O-N 3.4Å; F1616-S1628 VanDerWaalsContact CD2-N 3.25Å; F1616-L1631 HydrophobicContact CB-CB 3.88Å; F1616-L1631 HydrophobicContact CB-CD2 3.74Å; F1616-L1631 HydrophobicContact CB-CG 4.41Å |
| 1617 | V | 96.5 | Very high | 94.2 | Very high | 72 Ų | 72 | 76.3 Ų | 76.3 | 44% | 0.436 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 137.8 | -178.6 | -172 | 0 | 0 | 0 | 0 | 109.9 | L1631 | V1617-L1631 WeakPolarHBondContact O-CD2 3.35Å |
| 1618 | C | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 40% | 0.397 | C | S | . | . | trans | -82 | 116.1 | 175 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | Y1620 C1621 G1622 A1623 F1625 L1631 H1634 H1638 | C1618-Y1620 VanDerWaalsContact C-N 3.28Å; C1618-Y1620 PolarHBondContact O-N 3.49Å; C1618-C1621 PolarHBondContact O-N 2.9Å; C1618-G1622 WeakPolarHBondContact O-CA 3.46Å; C1618-G1622 PolarHBondContact O-N 2.75Å; C1618-A1623 HydrophobicContact CB-CB 4.35Å; C1618-A1623 WeakPolarHBondContact CB-O 3.15Å; C1618-A1623 PolarHBondContact N-O 3.21Å; C1618-F1625 HydrophobicContact CB-CE2 4.31Å; C1618-L1631 VanDerWaalsContact CA-CD1 3.41Å; C1618-L1631 HydrophobicContact CB-CD1 3.49Å; C1618-L1631 VanDerWaalsContact CB-CD1 3.49Å; C1618-H1634 PolarHBondContact SG-CD2 2.94Å; C1618-H1634 PolarHBondContact SG-NE2 3.05Å; C1618-H1638 PolarHBondContact SG-CD2 3.23Å; C1618-H1638 PolarHBondContact SG-NE2 3.09Å; C1618-H1638 VanDerWaalsContact SG-NE2 3.35Å | ||
| 1619 | H | 94.2 | Very high | 94.2 | Very high | 164 Ų | 164 | 80.4 Ų | 80.4 | 76% | 0.759 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -41.7 | 179.5 | -57.5 | 93 | 0 | 0 | 0 | 112.4 | C1621 E1635 | H1619-C1621 VanDerWaalsContact C-N 3.33Å; H1619-C1621 PolarHBondContact O-N 3.17Å; H1619-E1635 IonicContact ND1-OE1 3.9Å |
| 1620 | Y | 93.8 | Very high | 94.3 | Very high | 148 Ų | 148 | 77 Ų | 77 | 58% | 0.58 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18 | -179.4 | -59.8 | -74.4 | 0 | 0 | 0 | 116.4 | C1618 H1638 I1639 | C1618-Y1620 VanDerWaalsContact C-N 3.28Å; C1618-Y1620 PolarHBondContact O-N 3.49Å; Y1620-H1638 VanDerWaalsContact CB-CD2 3.49Å; Y1620-H1638 WeakPolarHBondContact CB-CD2 3.48Å; Y1620-H1638 HydrophobicContact CD1-CB 4.37Å; Y1620-H1638 HydrophobicContact CD2-CB 3.88Å; Y1620-H1638 AromaticContact CD2-CD2 3.84Å; Y1620-H1638 HydrophobicContact CE2-CB 4.49Å; Y1620-H1638 HydrophobicContact CG-CB 3.81Å; Y1620-H1638 AromaticContact CG-CD2 3.98Å; Y1620-H1638 AromaticContact CG-CG 3.92Å; Y1620-I1639 HydrophobicContact CE2-CG1 4.49Å |
| 1621 | C | 95.8 | Very high | 94.5 | Very high | 67 Ų | 67 | 75.2 Ų | 75.2 | 45% | 0.453 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -154.5 | 10.4 | -174.9 | 79.6 | 0 | 0 | 0 | 0 | 116.2 | C1618 H1619 A1623 H1634 H1638 | C1618-C1621 PolarHBondContact O-N 2.9Å; H1619-C1621 VanDerWaalsContact C-N 3.33Å; H1619-C1621 PolarHBondContact O-N 3.17Å; C1621-A1623 PolarHBondContact O-N 2.86Å; C1621-A1623 WeakPolarHBondContact SG-CB 3.23Å; C1621-H1634 PolarHBondContact SG-NE2 3.26Å; C1621-H1638 PolarHBondContact SG-NE2 2.88Å; C1621-H1638 VanDerWaalsContact SG-NE2 3.43Å |
| 1622 | G | 94.9 | Very high | 94.7 | Very high | 52 Ų | 52 | 74.1 Ų | 74.1 | 54% | 0.536 | 39% | 0.385 | S | S | . | . | trans | 64.2 | 6.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | C1618 S1624 | C1618-G1622 WeakPolarHBondContact O-CA 3.46Å; C1618-G1622 PolarHBondContact O-N 2.75Å; G1622-S1624 PolarHBondContact O-N 2.9Å | ||
| 1623 | A | 96 | Very high | 95 | Very high | 32 Ų | 32 | 64.8 Ų | 64.8 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | trans | -71 | 125.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | C1618 C1621 F1625 | C1618-A1623 HydrophobicContact CB-CB 4.35Å; C1618-A1623 WeakPolarHBondContact CB-O 3.15Å; C1618-A1623 PolarHBondContact N-O 3.21Å; C1621-A1623 PolarHBondContact O-N 2.86Å; C1621-A1623 WeakPolarHBondContact SG-CB 3.23Å; A1623-F1625 HydrophobicContact CB-CE2 3.84Å; A1623-F1625 HydrophobicContact CB-CZ 3.99Å; A1623-F1625 WeakPolarHBondContact O-CD2 3.35Å; A1623-F1625 WeakPolarHBondContact O-CE2 3.2Å | ||
| 1624 | S | 95.5 | Very high | 95.2 | Very high | 41 Ų | 41 | 62.1 Ų | 62.1 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137.7 | -175.2 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | K1614 F1616 G1622 | K1614-S1624 WeakPolarHBondContact CD-O 3.4Å; K1614-S1624 WeakPolarHBondContact CD-OG 3.49Å; K1614-S1624 WeakPolarHBondContact CE-O 3.41Å; K1614-S1624 PolarHBondContact NZ-O 3.42Å; F1616-S1624 CarbonylContact O-C 3.59Å; F1616-S1624 WeakPolarHBondContact O-CA 3.37Å; G1622-S1624 PolarHBondContact O-N 2.9Å |
| 1625 | F | 96.5 | Very high | 95.3 | Very high | 46 Ų | 46 | 58.9 Ų | 58.9 | 20% | 0.202 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150 | -172.2 | -59 | -86.6 | 0 | 0 | 0 | 111.7 | K1614 P1615 F1616 C1618 A1623 L1631 H1634 | K1614-F1625 CarbonylContact C-O 3.27Å; K1614-F1625 VanDerWaalsContact CA-O 3.29Å; K1614-F1625 WeakPolarHBondContact CA-O 3.49Å; P1615-F1625 WeakPolarHBondContact CD-O 3.44Å; F1616-F1625 HydrophobicContact CB-CB 4.37Å; F1616-F1625 PolarHBondContact N-O 3.11Å; F1616-F1625 PolarHBondContact O-N 3.4Å; C1618-F1625 HydrophobicContact CB-CE2 4.31Å; A1623-F1625 HydrophobicContact CB-CE2 3.84Å; A1623-F1625 HydrophobicContact CB-CZ 3.99Å; A1623-F1625 WeakPolarHBondContact O-CD2 3.35Å; A1623-F1625 WeakPolarHBondContact O-CE2 3.2Å; F1625-L1631 HydrophobicContact CB-CB 4.33Å; F1625-L1631 HydrophobicContact CD2-CB 3.86Å; F1625-L1631 HydrophobicContact CD2-CD1 3.85Å; F1625-L1631 HydrophobicContact CD2-CG 4.48Å; F1625-L1631 HydrophobicContact CE2-CD1 4.01Å; F1625-L1631 HydrophobicContact CG-CB 4.29Å; F1625-H1634 HydrophobicContact CE1-CB 4.09Å; F1625-H1634 HydrophobicContact CE2-CB 3.97Å; F1625-H1634 AromaticContact CE2-CD2 3.46Å; F1625-H1634 VanDerWaalsContact CE2-CD2 3.46Å; F1625-H1634 WeakPolarHBondContact CE2-CD2 3.36Å; F1625-H1634 AromaticContact CE2-CG 3.68Å; F1625-H1634 HydrophobicContact CZ-CB 3.53Å; F1625-H1634 AromaticContact CZ-CD2 3.51Å; F1625-H1634 AromaticContact CZ-CG 3.26Å; F1625-H1634 AromaticContact CZ-ND1 3.66Å; F1625-H1634 AromaticContact CZ-NE2 3.99Å |
| 1626 | T | 95 | Very high | 95.5 | Very high | 36 Ų | 36 | 57.1 Ų | 57.1 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -80.9 | -15.1 | 179 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | R1608 K1614 | R1608-T1626 WeakPolarHBondContact CD-O 3.18Å; R1608-T1626 PolarHBondContact NH1-O 3.18Å; K1614-T1626 HydrophobicContact CG-CG2 3.76Å |
| 1627 | Q | 95.2 | Very high | 95.4 | Very high | 38 Ų | 38 | 58.2 Ų | 58.2 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -143 | 133.3 | -171 | -59.9 | 179 | 49.1 | 0 | 0 | 110.4 | R1605 Y1629 S1630 L1631 | R1605-Q1627 HydrophobicContact CG-CG 3.88Å; Q1627-Y1629 HydrophobicContact CB-CD1 4.22Å; Q1627-Y1629 HydrophobicContact CB-CE1 3.87Å; Q1627-Y1629 PolarHBondContact O-N 3.25Å; Q1627-Y1629 PolarHBondContact OE1-OH 3.07Å; Q1627-S1630 VanDerWaalsContact O-CB 3.29Å; Q1627-S1630 WeakPolarHBondContact O-CB 3.19Å; Q1627-S1630 PolarHBondContact O-N 2.86Å; Q1627-L1631 PolarHBondContact O-N 3.38Å |
| 1628 | S | 95.4 | Very high | 95.2 | Very high | 62 Ų | 62 | 58.4 Ų | 58.4 | 43% | 0.434 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.3 | -45.3 | -173.6 | 152.8 | 0 | 0 | 0 | 0 | 113.2 | F1616 S1630 L1631 T1632 | F1616-S1628 VanDerWaalsContact CD2-N 3.25Å; S1628-S1630 PolarHBondContact O-N 3.16Å; S1628-S1630 VanDerWaalsContact O-N 3.09Å; S1628-L1631 CarbonylContact O-C 3.6Å; S1628-L1631 WeakPolarHBondContact O-CA 3.45Å; S1628-L1631 VanDerWaalsContact O-CB 3.31Å; S1628-L1631 WeakPolarHBondContact O-CB 3.3Å; S1628-L1631 PolarHBondContact O-N 3.04Å; S1628-T1632 PolarHBondContact O-N 2.77Å; S1628-T1632 PolarHBondContact O-OG1 2.98Å |
| 1629 | Y | 93.3 | Very high | 95 | Very high | 141 Ų | 141 | 62.8 Ų | 62.8 | 55% | 0.553 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.8 | -24.5 | 178.5 | 76.2 | -98.4 | 0 | 0 | 0 | 113.3 | Q1627 S1633 | Q1627-Y1629 HydrophobicContact CB-CD1 4.22Å; Q1627-Y1629 HydrophobicContact CB-CE1 3.87Å; Q1627-Y1629 PolarHBondContact O-N 3.25Å; Q1627-Y1629 PolarHBondContact OE1-OH 3.07Å; Y1629-S1633 WeakPolarHBondContact O-CB 3.47Å; Y1629-S1633 PolarHBondContact O-N 3.41Å |
| 1630 | S | 95.3 | Very high | 94.9 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 24% | 0.238 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74 | -33.8 | 174.6 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | Q1627 S1628 H1634 | Q1627-S1630 VanDerWaalsContact O-CB 3.29Å; Q1627-S1630 WeakPolarHBondContact O-CB 3.19Å; Q1627-S1630 PolarHBondContact O-N 2.86Å; S1628-S1630 PolarHBondContact O-N 3.16Å; S1628-S1630 VanDerWaalsContact O-N 3.09Å; S1630-H1634 VanDerWaalsContact O-CB 3.28Å; S1630-H1634 WeakPolarHBondContact O-CB 3.32Å; S1630-H1634 PolarHBondContact O-N 3.02Å |
| 1631 | L | 96.3 | Very high | 94.9 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.4 | -55.6 | 169.3 | 169 | 61.3 | 0 | 0 | 0 | 110.3 | F1616 V1617 C1618 F1625 Q1627 S1628 S1633 H1634 E1635 | F1616-L1631 HydrophobicContact CB-CB 3.88Å; F1616-L1631 HydrophobicContact CB-CD2 3.74Å; F1616-L1631 HydrophobicContact CB-CG 4.41Å; V1617-L1631 WeakPolarHBondContact O-CD2 3.35Å; C1618-L1631 VanDerWaalsContact CA-CD1 3.41Å; C1618-L1631 HydrophobicContact CB-CD1 3.49Å; C1618-L1631 VanDerWaalsContact CB-CD1 3.49Å; F1625-L1631 HydrophobicContact CB-CB 4.33Å; F1625-L1631 HydrophobicContact CD2-CB 3.86Å; F1625-L1631 HydrophobicContact CD2-CD1 3.85Å; F1625-L1631 HydrophobicContact CD2-CG 4.48Å; F1625-L1631 HydrophobicContact CE2-CD1 4.01Å; F1625-L1631 HydrophobicContact CG-CB 4.29Å; Q1627-L1631 PolarHBondContact O-N 3.38Å; S1628-L1631 CarbonylContact O-C 3.6Å; S1628-L1631 WeakPolarHBondContact O-CA 3.45Å; S1628-L1631 VanDerWaalsContact O-CB 3.31Å; S1628-L1631 WeakPolarHBondContact O-CB 3.3Å; S1628-L1631 PolarHBondContact O-N 3.04Å; L1631-S1633 VanDerWaalsContact C-N 3.28Å; L1631-S1633 PolarHBondContact O-N 3.08Å; L1631-H1634 CarbonylContact O-C 3.52Å; L1631-H1634 VanDerWaalsContact O-CA 3.31Å; L1631-H1634 WeakPolarHBondContact O-CA 3.47Å; L1631-H1634 VanDerWaalsContact O-CB 3.3Å; L1631-H1634 WeakPolarHBondContact O-CB 3.46Å; L1631-H1634 PolarHBondContact O-N 3.44Å; L1631-E1635 HydrophobicContact CD1-CG 3.78Å; L1631-E1635 WeakPolarHBondContact CD1-OE1 3.48Å; L1631-E1635 HydrophobicContact CG-CG 4.27Å; L1631-E1635 PolarHBondContact O-N 3.05Å |
| 1632 | T | 95.3 | Very high | 94.8 | Very high | 73 Ų | 73 | 56.9 Ų | 56.9 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.2 | -41.7 | -179 | -47.8 | 0 | 0 | 0 | 0 | 112.1 | S1628 H1634 E1635 L1636 | S1628-T1632 PolarHBondContact O-N 2.77Å; S1628-T1632 PolarHBondContact O-OG1 2.98Å; T1632-H1634 PolarHBondContact O-N 3.42Å; T1632-E1635 WeakPolarHBondContact CA-OE2 3.44Å; T1632-E1635 PolarHBondContact O-N 3.46Å; T1632-L1636 PolarHBondContact O-N 3.04Å |
| 1633 | S | 94.8 | Very high | 94.7 | Very high | 20 Ų | 20 | 58 Ų | 58 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.6 | -20.1 | 175.2 | 179.2 | 0 | 0 | 0 | 0 | 114.1 | Y1629 L1631 Q1655 | Y1629-S1633 WeakPolarHBondContact O-CB 3.47Å; Y1629-S1633 PolarHBondContact O-N 3.41Å; L1631-S1633 VanDerWaalsContact C-N 3.28Å; L1631-S1633 PolarHBondContact O-N 3.08Å; S1633-Q1655 WeakPolarHBondContact OG-CG 3.21Å; S1633-Q1655 PolarHBondContact OG-NE2 3.09Å |
| 1634 | H | 95.4 | Very high | 94.7 | Very high | 32 Ų | 32 | 61 Ų | 61 | 15% | 0.148 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -86.4 | -35.1 | 173.4 | 165.4 | 82.4 | 0 | 0 | 0 | 111.4 | C1618 C1621 F1625 S1630 L1631 T1632 L1636 I1637 H1638 | C1618-H1634 PolarHBondContact SG-CD2 2.94Å; C1618-H1634 PolarHBondContact SG-NE2 3.05Å; C1621-H1634 PolarHBondContact SG-NE2 3.26Å; F1625-H1634 HydrophobicContact CE1-CB 4.09Å; F1625-H1634 HydrophobicContact CE2-CB 3.97Å; F1625-H1634 AromaticContact CE2-CD2 3.46Å; F1625-H1634 VanDerWaalsContact CE2-CD2 3.46Å; F1625-H1634 WeakPolarHBondContact CE2-CD2 3.36Å; F1625-H1634 AromaticContact CE2-CG 3.68Å; F1625-H1634 HydrophobicContact CZ-CB 3.53Å; F1625-H1634 AromaticContact CZ-CD2 3.51Å; F1625-H1634 AromaticContact CZ-CG 3.26Å; F1625-H1634 AromaticContact CZ-ND1 3.66Å; F1625-H1634 AromaticContact CZ-NE2 3.99Å; S1630-H1634 VanDerWaalsContact O-CB 3.28Å; S1630-H1634 WeakPolarHBondContact O-CB 3.32Å; S1630-H1634 PolarHBondContact O-N 3.02Å; L1631-H1634 CarbonylContact O-C 3.52Å; L1631-H1634 VanDerWaalsContact O-CA 3.31Å; L1631-H1634 WeakPolarHBondContact O-CA 3.47Å; L1631-H1634 VanDerWaalsContact O-CB 3.3Å; L1631-H1634 WeakPolarHBondContact O-CB 3.46Å; L1631-H1634 PolarHBondContact O-N 3.44Å; T1632-H1634 PolarHBondContact O-N 3.42Å; H1634-L1636 VanDerWaalsContact C-N 3.26Å; H1634-L1636 PolarHBondContact O-N 3.17Å; H1634-I1637 WeakPolarHBondContact O-CA 3.44Å; H1634-I1637 WeakPolarHBondContact O-CB 3.38Å; H1634-I1637 VanDerWaalsContact O-CG1 3.29Å; H1634-I1637 WeakPolarHBondContact O-CG1 3.43Å; H1634-I1637 PolarHBondContact O-N 2.97Å; H1634-H1638 AromaticContact CD2-NE2 3.81Å; H1634-H1638 AromaticContact CE1-NE2 3.6Å; H1634-H1638 AromaticContact NE2-CD2 3.96Å; H1634-H1638 AromaticContact NE2-NE2 3.07Å; H1634-H1638 PolarHBondContact NE2-NE2 2.86Å |
| 1635 | E | 95.6 | Very high | 94.7 | Very high | 37 Ų | 37 | 64.9 Ų | 64.9 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -35.4 | 175.1 | -72.7 | 166.2 | 149 | 0 | 0 | 111.9 | H1619 L1631 T1632 I1637 H1638 I1639 | H1619-E1635 IonicContact ND1-OE1 3.9Å; L1631-E1635 HydrophobicContact CD1-CG 3.78Å; L1631-E1635 WeakPolarHBondContact CD1-OE1 3.48Å; L1631-E1635 HydrophobicContact CG-CG 4.27Å; L1631-E1635 PolarHBondContact O-N 3.05Å; T1632-E1635 WeakPolarHBondContact CA-OE2 3.44Å; T1632-E1635 PolarHBondContact O-N 3.46Å; E1635-I1637 PolarHBondContact O-N 3.28Å; E1635-H1638 PolarHBondContact O-N 2.91Å; E1635-I1639 PolarHBondContact O-N 3.32Å |
| 1636 | L | 95.7 | Very high | 94.7 | Very high | 27 Ų | 27 | 62.8 Ų | 62.8 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.3 | -12 | 168.2 | -66.3 | 175.4 | 0 | 0 | 0 | 114.7 | T1632 H1634 G1640 E1641 P1643 R1654 | T1632-L1636 PolarHBondContact O-N 3.04Å; H1634-L1636 VanDerWaalsContact C-N 3.26Å; H1634-L1636 PolarHBondContact O-N 3.17Å; L1636-G1640 CarbonylContact O-C 3.16Å; L1636-G1640 PolarHBondContact O-N 3.02Å; L1636-E1641 HydrophobicContact CD2-CB 3.91Å; L1636-P1643 HydrophobicContact CD1-CG 4.07Å; L1636-R1654 HydrophobicContact CB-CB 4.45Å; L1636-R1654 HydrophobicContact CB-CG 4.35Å; L1636-R1654 HydrophobicContact CD1-CB 4.43Å; L1636-R1654 WeakPolarHBondContact CD1-O 3.47Å; L1636-R1654 WeakPolarHBondContact O-CD 3.47Å; L1636-R1654 PolarHBondContact O-NE 3.27Å |
| 1637 | I | 94.8 | Very high | 94.6 | Very high | 85 Ų | 85 | 66.4 Ų | 66.4 | 44% | 0.436 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -77.3 | -39.7 | 171.7 | -56.6 | 175 | 0 | 0 | 0 | 110.6 | H1634 E1635 G1640 | H1634-I1637 WeakPolarHBondContact O-CA 3.44Å; H1634-I1637 WeakPolarHBondContact O-CB 3.38Å; H1634-I1637 VanDerWaalsContact O-CG1 3.29Å; H1634-I1637 WeakPolarHBondContact O-CG1 3.43Å; H1634-I1637 PolarHBondContact O-N 2.97Å; E1635-I1637 PolarHBondContact O-N 3.28Å; I1637-G1640 PolarHBondContact O-N 3.1Å |
| 1638 | H | 93.6 | Very high | 94.5 | Very high | 76 Ų | 76 | 70.6 Ų | 70.6 | 35% | 0.352 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -75.7 | -44.6 | -178.7 | -57.4 | -62.1 | 0 | 0 | 0 | 111.8 | C1618 Y1620 C1621 H1634 E1635 G1640 | C1618-H1638 PolarHBondContact SG-CD2 3.23Å; C1618-H1638 PolarHBondContact SG-NE2 3.09Å; C1618-H1638 VanDerWaalsContact SG-NE2 3.35Å; Y1620-H1638 VanDerWaalsContact CB-CD2 3.49Å; Y1620-H1638 WeakPolarHBondContact CB-CD2 3.48Å; Y1620-H1638 HydrophobicContact CD1-CB 4.37Å; Y1620-H1638 HydrophobicContact CD2-CB 3.88Å; Y1620-H1638 AromaticContact CD2-CD2 3.84Å; Y1620-H1638 HydrophobicContact CE2-CB 4.49Å; Y1620-H1638 HydrophobicContact CG-CB 3.81Å; Y1620-H1638 AromaticContact CG-CD2 3.98Å; Y1620-H1638 AromaticContact CG-CG 3.92Å; C1621-H1638 PolarHBondContact SG-NE2 2.88Å; C1621-H1638 VanDerWaalsContact SG-NE2 3.43Å; H1634-H1638 AromaticContact CD2-NE2 3.81Å; H1634-H1638 AromaticContact CE1-NE2 3.6Å; H1634-H1638 AromaticContact NE2-CD2 3.96Å; H1634-H1638 AromaticContact NE2-NE2 3.07Å; H1634-H1638 PolarHBondContact NE2-NE2 2.86Å; E1635-H1638 PolarHBondContact O-N 2.91Å; H1638-G1640 PolarHBondContact O-N 3.15Å |
| 1639 | I | 92.7 | Very high | 94.4 | Very high | 91 Ų | 91 | 70.4 Ų | 70.4 | 47% | 0.467 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -69.7 | -10.9 | 173.7 | -44.6 | 173.5 | 0 | 0 | 0 | 110.9 | Y1620 E1635 E1641 | Y1620-I1639 HydrophobicContact CE2-CG1 4.49Å; E1635-I1639 PolarHBondContact O-N 3.32Å; I1639-E1641 HydrophobicContact CG2-CG 3.97Å; I1639-E1641 PolarHBondContact O-N 3.43Å |
| 1640 | G | 92.5 | Very high | 94.3 | Very high | 35 Ų | 35 | 69 Ų | 69 | 36% | 0.361 | 37% | 0.369 | S | S | . | . | trans | 76.3 | -25.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1636 I1637 H1638 R1654 | L1636-G1640 CarbonylContact O-C 3.16Å; L1636-G1640 PolarHBondContact O-N 3.02Å; I1637-G1640 PolarHBondContact O-N 3.1Å; H1638-G1640 PolarHBondContact O-N 3.15Å; G1640-R1654 PolarHBondContact O-NH2 2.88Å | ||
| 1641 | E | 93 | Very high | 94.2 | Very high | 108 Ų | 108 | 69 Ų | 69 | 51% | 0.505 | 37% | 0.371 | S | S | . | . | trans | -45.9 | 147.2 | -176.9 | -80.4 | -173 | -160.2 | 0 | 0 | 116 | L1636 I1639 R1654 | L1636-E1641 HydrophobicContact CD2-CB 3.91Å; I1639-E1641 HydrophobicContact CG2-CG 3.97Å; I1639-E1641 PolarHBondContact O-N 3.43Å; E1641-R1654 WeakPolarHBondContact O-CG 3.08Å; E1641-R1654 PolarHBondContact O-NE 3.46Å | ||
| 1642 | K | 94.6 | Very high | 94.2 | Very high | 112 Ų | 112 | 70.5 Ų | 70.5 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | trans | -139.2 | 72.3 | 178.9 | -63.7 | 170.1 | -172.5 | 164.9 | 0 | 110.2 | Y1644 S1652 F1653 R1654 | K1642-Y1644 PolarHBondContact O-N 3.02Å; K1642-S1652 WeakPolarHBondContact O-CB 3.3Å; K1642-F1653 CarbonylContact C-O 3.5Å; K1642-F1653 VanDerWaalsContact C-O 3.27Å; K1642-R1654 HydrophobicContact CG-CG 4.04Å | ||
| 1643 | P | 93.1 | Very high | 94.3 | Very high | 76 Ų | 76 | 69.3 Ų | 69.3 | 49% | 0.494 | 37% | 0.371 | S | S | . | . | trans | -65.6 | -12.2 | -167.9 | 23.2 | -34.2 | 0 | 0 | 0 | 115.6 | L1636 | L1636-P1643 HydrophobicContact CD1-CG 4.07Š| ||
| 1644 | Y | 96.1 | Very high | 94.3 | Very high | 96 Ų | 96 | 72 Ų | 72 | 38% | 0.376 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 79.3 | -178 | -55.4 | -81.8 | 0 | 0 | 0 | 111.3 | K1642 F1653 R1654 Q1655 | K1642-Y1644 PolarHBondContact O-N 3.02Å; Y1644-F1653 WeakPolarHBondContact CB-O 3.48Å; Y1644-F1653 WeakPolarHBondContact CD2-O 3.33Å; Y1644-F1653 PolarHBondContact N-O 2.71Å; Y1644-F1653 WeakPolarHBondContact O-CD2 3.13Å; Y1644-F1653 PolarHBondContact O-N 3.48Å; Y1644-R1654 WeakPolarHBondContact CE2-O 3.43Å; Y1644-Q1655 VanDerWaalsContact CD2-C 3.42Å |
| 1645 | K | 95.2 | Very high | 94.3 | Very high | 122 Ų | 122 | 73.6 Ų | 73.6 | 53% | 0.53 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 138.3 | 175.7 | -169.2 | 170.9 | 179.9 | -173.5 | 0 | 112.2 | N1650 S1652 | K1645-N1650 WeakPolarHBondContact CE-OD1 3.32Å; K1645-N1650 PolarHBondContact NZ-OD1 2.86Å; K1645-S1652 WeakPolarHBondContact CG-OG 3.14Å |
| 1646 | C | 96.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.007 | 39% | 0.392 | C | S | . | . | trans | -81.5 | 125.2 | 168.1 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | Q1648 N1650 A1651 F1653 L1659 H1662 L1663 | C1646-Q1648 PolarHBondContact O-N 2.99Å; C1646-Q1648 PolarHBondContact SG-N 3.13Å; C1646-Q1648 VanDerWaalsContact SG-N 3.43Å; C1646-N1650 WeakPolarHBondContact O-CA 3.41Å; C1646-N1650 PolarHBondContact O-N 3.26Å; C1646-N1650 VanDerWaalsContact O-N 3.13Å; C1646-A1651 HydrophobicContact CB-CB 4.38Å; C1646-A1651 VanDerWaalsContact CB-O 3.27Å; C1646-A1651 WeakPolarHBondContact CB-O 3.39Å; C1646-A1651 PolarHBondContact N-O 2.81Å; C1646-F1653 HydrophobicContact CB-CE2 4.4Å; C1646-L1659 HydrophobicContact CB-CD1 3.67Å; C1646-H1662 PolarHBondContact SG-NE2 2.85Å; C1646-L1663 VanDerWaalsContact SG-CD2 3.58Å | ||
| 1647 | S | 93.1 | Very high | 94.2 | Very high | 112 Ų | 112 | 76.2 Ų | 76.2 | 78% | 0.783 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -8.9 | 177.7 | 55 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1648 | Q | 92.5 | Very high | 94.3 | Very high | 126 Ų | 126 | 74.2 Ų | 74.2 | 59% | 0.589 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -9.4 | -174.7 | -65 | -169.2 | -0.6 | 0 | 0 | 115 | C1646 H1667 | C1646-Q1648 PolarHBondContact O-N 2.99Å; C1646-Q1648 PolarHBondContact SG-N 3.13Å; C1646-Q1648 VanDerWaalsContact SG-N 3.43Å; Q1648-H1667 WeakPolarHBondContact CB-CE1 3.44Å; Q1648-H1667 WeakPolarHBondContact CB-ND1 3.3Å; Q1648-H1667 PolarHBondContact O-CE1 3.3Å; Q1648-H1667 PolarHBondContact OE1-ND1 3.13Å |
| 1649 | C | 93.7 | Very high | 94.4 | Very high | 59 Ų | 59 | 71.8 Ų | 71.8 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.5 | 19.2 | 171.9 | 69 | 0 | 0 | 0 | 0 | 113.8 | A1651 H1662 H1667 | C1649-A1651 PolarHBondContact O-N 2.92Å; C1649-A1651 VanDerWaalsContact SG-CB 3.53Å; C1649-H1662 PolarHBondContact SG-CE1 3.05Å; C1649-H1662 PolarHBondContact SG-NE2 3.2Å; C1649-H1667 PolarHBondContact SG-NE2 2.95Å |
| 1650 | N | 89.6 | Confident | 94.5 | Very high | 111 Ų | 111 | 74.3 Ų | 74.3 | 59% | 0.594 | 40% | 0.397 | S | S | * | . | trans | 57 | -0.3 | -176.6 | -73 | -38.6 | 0 | 0 | 0 | 116.8 | K1645 C1646 S1652 | K1645-N1650 WeakPolarHBondContact CE-OD1 3.32Å; K1645-N1650 PolarHBondContact NZ-OD1 2.86Å; C1646-N1650 WeakPolarHBondContact O-CA 3.41Å; C1646-N1650 PolarHBondContact O-N 3.26Å; C1646-N1650 VanDerWaalsContact O-N 3.13Å; N1650-S1652 PolarHBondContact O-N 3.13Å | ||
| 1651 | A | 95 | Very high | 94.7 | Very high | 33 Ų | 33 | 79.8 Ų | 79.8 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | trans | -64.7 | 118.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1646 C1649 F1653 | C1646-A1651 HydrophobicContact CB-CB 4.38Å; C1646-A1651 VanDerWaalsContact CB-O 3.27Å; C1646-A1651 WeakPolarHBondContact CB-O 3.39Å; C1646-A1651 PolarHBondContact N-O 2.81Å; C1649-A1651 PolarHBondContact O-N 2.92Å; C1649-A1651 VanDerWaalsContact SG-CB 3.53Å; A1651-F1653 HydrophobicContact CB-CE2 3.91Å; A1651-F1653 HydrophobicContact CB-CZ 3.93Å; A1651-F1653 WeakPolarHBondContact O-CD2 3.46Å; A1651-F1653 WeakPolarHBondContact O-CE2 3.31Å | ||
| 1652 | S | 95.7 | Very high | 94.7 | Very high | 48 Ų | 48 | 75.9 Ų | 75.9 | 34% | 0.336 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 138.9 | 179.8 | -61.7 | 0 | 0 | 0 | 0 | 113.1 | K1642 K1645 N1650 | K1642-S1652 WeakPolarHBondContact O-CB 3.3Å; K1645-S1652 WeakPolarHBondContact CG-OG 3.14Å; N1650-S1652 PolarHBondContact O-N 3.13Å |
| 1653 | F | 96.4 | Very high | 94.7 | Very high | 48 Ų | 48 | 73 Ų | 73 | 21% | 0.211 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 152.4 | -177 | -57.2 | -86.2 | 0 | 0 | 0 | 111.7 | K1642 Y1644 C1646 A1651 Q1655 N1658 L1659 H1662 | K1642-F1653 CarbonylContact C-O 3.5Å; K1642-F1653 VanDerWaalsContact C-O 3.27Å; Y1644-F1653 WeakPolarHBondContact CB-O 3.48Å; Y1644-F1653 WeakPolarHBondContact CD2-O 3.33Å; Y1644-F1653 PolarHBondContact N-O 2.71Å; Y1644-F1653 WeakPolarHBondContact O-CD2 3.13Å; Y1644-F1653 PolarHBondContact O-N 3.48Å; C1646-F1653 HydrophobicContact CB-CE2 4.4Å; A1651-F1653 HydrophobicContact CB-CE2 3.91Å; A1651-F1653 HydrophobicContact CB-CZ 3.93Å; A1651-F1653 WeakPolarHBondContact O-CD2 3.46Å; A1651-F1653 WeakPolarHBondContact O-CE2 3.31Å; F1653-Q1655 VanDerWaalsContact C-N 3.34Å; F1653-N1658 HydrophobicContact CB-CB 4.22Å; F1653-N1658 HydrophobicContact CD1-CB 3.93Å; F1653-N1658 HydrophobicContact CG-CB 4.27Å; F1653-L1659 HydrophobicContact CB-CB 4.44Å; F1653-L1659 HydrophobicContact CD2-CB 3.82Å; F1653-L1659 HydrophobicContact CD2-CD1 3.9Å; F1653-L1659 HydrophobicContact CD2-CG 4.46Å; F1653-L1659 HydrophobicContact CE2-CD1 4Å; F1653-L1659 HydrophobicContact CG-CB 4.35Å; F1653-H1662 HydrophobicContact CE1-CB 4.08Å; F1653-H1662 HydrophobicContact CE2-CB 3.83Å; F1653-H1662 AromaticContact CE2-CD2 3.5Å; F1653-H1662 VanDerWaalsContact CE2-CD2 3.5Å; F1653-H1662 WeakPolarHBondContact CE2-CD2 3.47Å; F1653-H1662 AromaticContact CE2-CG 3.62Å; F1653-H1662 HydrophobicContact CZ-CB 3.43Å; F1653-H1662 VanDerWaalsContact CZ-CB 3.43Å; F1653-H1662 AromaticContact CZ-CD2 3.69Å; F1653-H1662 AromaticContact CZ-CG 3.32Å; F1653-H1662 AromaticContact CZ-ND1 3.78Å |
| 1654 | R | 94.9 | Very high | 94.8 | Very high | 76 Ų | 76 | 74.2 Ų | 74.2 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -80.4 | -11.6 | 173.5 | -62.3 | -168.8 | 170.3 | 116.8 | -0.2 | 114.4 | L1636 G1640 E1641 K1642 Y1644 | L1636-R1654 HydrophobicContact CB-CB 4.45Å; L1636-R1654 HydrophobicContact CB-CG 4.35Å; L1636-R1654 HydrophobicContact CD1-CB 4.43Å; L1636-R1654 WeakPolarHBondContact CD1-O 3.47Å; L1636-R1654 WeakPolarHBondContact O-CD 3.47Å; L1636-R1654 PolarHBondContact O-NE 3.27Å; G1640-R1654 PolarHBondContact O-NH2 2.88Å; E1641-R1654 WeakPolarHBondContact O-CG 3.08Å; E1641-R1654 PolarHBondContact O-NE 3.46Å; K1642-R1654 HydrophobicContact CG-CG 4.04Å; Y1644-R1654 WeakPolarHBondContact CE2-O 3.43Å |
| 1655 | Q | 95.2 | Very high | 94.7 | Very high | 66 Ų | 66 | 75.4 Ų | 75.4 | 31% | 0.308 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -139.3 | 135.1 | -178 | -65.4 | 179.2 | -16.7 | 0 | 0 | 111.6 | S1633 Y1644 F1653 C1657 N1658 L1659 | S1633-Q1655 WeakPolarHBondContact OG-CG 3.21Å; S1633-Q1655 PolarHBondContact OG-NE2 3.09Å; Y1644-Q1655 VanDerWaalsContact CD2-C 3.42Å; F1653-Q1655 VanDerWaalsContact C-N 3.34Å; Q1655-C1657 PolarHBondContact O-N 2.99Å; Q1655-C1657 PolarHBondContact OE1-SG 3.18Å; Q1655-C1657 VanDerWaalsContact OE1-SG 3.36Å; Q1655-N1658 HydrophobicContact CB-CB 4.49Å; Q1655-N1658 PolarHBondContact O-N 3.22Å; Q1655-N1658 PolarHBondContact OE1-ND2 3.1Å; Q1655-N1658 VanDerWaalsContact OE1-ND2 3.14Å; Q1655-L1659 PolarHBondContact O-N 2.92Å |
| 1656 | S | 95.4 | Very high | 94.5 | Very high | 43 Ų | 43 | 73.3 Ų | 73.3 | 30% | 0.301 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.1 | -36 | 175.3 | -173.5 | 0 | 0 | 0 | 0 | 113.3 | N1658 L1659 K1660 | S1656-N1658 VanDerWaalsContact C-N 3.31Å; S1656-N1658 PolarHBondContact O-N 3.3Å; S1656-L1659 PolarHBondContact O-N 2.99Å; S1656-K1660 WeakPolarHBondContact O-CG 3.13Å; S1656-K1660 PolarHBondContact O-N 3.39Å |
| 1657 | C | 94.6 | Very high | 94.2 | Very high | 76 Ų | 76 | 75.5 Ų | 75.5 | 51% | 0.514 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.7 | -31 | 178.2 | 60.1 | 0 | 0 | 0 | 0 | 112.9 | Q1655 R1661 | Q1655-C1657 PolarHBondContact O-N 2.99Å; Q1655-C1657 PolarHBondContact OE1-SG 3.18Å; Q1655-C1657 VanDerWaalsContact OE1-SG 3.36Å; C1657-R1661 VanDerWaalsContact O-CB 3.31Å; C1657-R1661 WeakPolarHBondContact O-CB 3.32Å; C1657-R1661 PolarHBondContact O-N 3.47Å |
| 1658 | N | 96 | Very high | 93.6 | Very high | 43 Ų | 43 | 75.9 Ų | 75.9 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -73.8 | -40.9 | 174.2 | -75.5 | -44.1 | 0 | 0 | 0 | 111.3 | F1653 Q1655 S1656 R1661 H1662 | F1653-N1658 HydrophobicContact CB-CB 4.22Å; F1653-N1658 HydrophobicContact CD1-CB 3.93Å; F1653-N1658 HydrophobicContact CG-CB 4.27Å; Q1655-N1658 HydrophobicContact CB-CB 4.49Å; Q1655-N1658 PolarHBondContact O-N 3.22Å; Q1655-N1658 PolarHBondContact OE1-ND2 3.1Å; Q1655-N1658 VanDerWaalsContact OE1-ND2 3.14Å; S1656-N1658 VanDerWaalsContact C-N 3.31Å; S1656-N1658 PolarHBondContact O-N 3.3Å; N1658-R1661 PolarHBondContact O-N 3.16Å; N1658-R1661 PolarHBondContact OD1-NH2 3.13Å; N1658-H1662 VanDerWaalsContact O-CB 3.3Å; N1658-H1662 WeakPolarHBondContact O-CB 3.25Å; N1658-H1662 PolarHBondContact O-N 3.25Å |
| 1659 | L | 96.2 | Very high | 92.2 | Very high | 25 Ų | 25 | 76.4 Ų | 76.4 | 13% | 0.131 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.1 | -48.4 | 170 | 173.8 | 60.3 | 0 | 0 | 0 | 111.4 | C1646 F1653 Q1655 S1656 R1661 H1662 L1663 | C1646-L1659 HydrophobicContact CB-CD1 3.67Å; F1653-L1659 HydrophobicContact CB-CB 4.44Å; F1653-L1659 HydrophobicContact CD2-CB 3.82Å; F1653-L1659 HydrophobicContact CD2-CD1 3.9Å; F1653-L1659 HydrophobicContact CD2-CG 4.46Å; F1653-L1659 HydrophobicContact CE2-CD1 4Å; F1653-L1659 HydrophobicContact CG-CB 4.35Å; Q1655-L1659 PolarHBondContact O-N 2.92Å; S1656-L1659 PolarHBondContact O-N 2.99Å; L1659-R1661 VanDerWaalsContact C-N 3.33Å; L1659-R1661 PolarHBondContact O-N 2.79Å; L1659-H1662 WeakPolarHBondContact O-CB 3.41Å; L1659-H1662 PolarHBondContact O-N 3.16Å; L1659-L1663 HydrophobicContact CD1-CD1 4.01Å; L1659-L1663 HydrophobicContact CD1-CG 3.98Å; L1659-L1663 HydrophobicContact CG-CD1 3.99Å; L1659-L1663 HydrophobicContact CG-CG 4.4Å; L1659-L1663 WeakPolarHBondContact O-CB 3.43Å; L1659-L1663 WeakPolarHBondContact O-CG 3.44Å; L1659-L1663 PolarHBondContact O-N 2.73Å |
| 1660 | K | 95.6 | Very high | 90.3 | Very high | 144 Ų | 144 | 79 Ų | 79 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.3 | -40.4 | 177 | -73.1 | 178.6 | -177.1 | -177.8 | 0 | 112.8 | S1656 K1664 | S1656-K1660 WeakPolarHBondContact O-CG 3.13Å; S1656-K1660 PolarHBondContact O-N 3.39Å; K1660-K1664 WeakPolarHBondContact O-CB 3.43Å; K1660-K1664 PolarHBondContact O-N 3.39Å |
| 1661 | R | 95.3 | Very high | 88 | Confident | 151 Ų | 151 | 78.7 Ų | 78.7 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66 | -41.6 | 175.7 | 177.8 | 169.6 | 62.4 | 106.1 | -3.2 | 111.5 | C1657 N1658 L1659 K1664 L1665 | C1657-R1661 VanDerWaalsContact O-CB 3.31Å; C1657-R1661 WeakPolarHBondContact O-CB 3.32Å; C1657-R1661 PolarHBondContact O-N 3.47Å; N1658-R1661 PolarHBondContact O-N 3.16Å; N1658-R1661 PolarHBondContact OD1-NH2 3.13Å; L1659-R1661 VanDerWaalsContact C-N 3.33Å; L1659-R1661 PolarHBondContact O-N 2.79Å; R1661-K1664 PolarHBondContact O-N 3.21Å; R1661-L1665 HydrophobicContact CG-CD1 3.69Å; R1661-L1665 HydrophobicContact CG-CG 4.37Å; R1661-L1665 WeakPolarHBondContact O-CB 3.42Å; R1661-L1665 VanDerWaalsContact O-CG 3.26Å; R1661-L1665 WeakPolarHBondContact O-CG 3.2Å; R1661-L1665 PolarHBondContact O-N 3.22Å |
| 1662 | H | 94.8 | Very high | 85.5 | Confident | 26 Ų | 26 | 83.6 Ų | 83.6 | 12% | 0.12 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.6 | -50.4 | 175 | 161 | 74.8 | 0 | 0 | 0 | 111.6 | C1646 C1649 F1653 N1658 L1659 K1664 L1665 V1666 H1667 | C1646-H1662 PolarHBondContact SG-NE2 2.85Å; C1649-H1662 PolarHBondContact SG-CE1 3.05Å; C1649-H1662 PolarHBondContact SG-NE2 3.2Å; F1653-H1662 HydrophobicContact CE1-CB 4.08Å; F1653-H1662 HydrophobicContact CE2-CB 3.83Å; F1653-H1662 AromaticContact CE2-CD2 3.5Å; F1653-H1662 VanDerWaalsContact CE2-CD2 3.5Å; F1653-H1662 WeakPolarHBondContact CE2-CD2 3.47Å; F1653-H1662 AromaticContact CE2-CG 3.62Å; F1653-H1662 HydrophobicContact CZ-CB 3.43Å; F1653-H1662 VanDerWaalsContact CZ-CB 3.43Å; F1653-H1662 AromaticContact CZ-CD2 3.69Å; F1653-H1662 AromaticContact CZ-CG 3.32Å; F1653-H1662 AromaticContact CZ-ND1 3.78Å; N1658-H1662 VanDerWaalsContact O-CB 3.3Å; N1658-H1662 WeakPolarHBondContact O-CB 3.25Å; N1658-H1662 PolarHBondContact O-N 3.25Å; L1659-H1662 WeakPolarHBondContact O-CB 3.41Å; L1659-H1662 PolarHBondContact O-N 3.16Å; H1662-K1664 PolarHBondContact O-N 2.92Å; H1662-L1665 PolarHBondContact O-N 2.8Å; H1662-V1666 WeakPolarHBondContact ND1-CG2 3.4Å; H1662-V1666 WeakPolarHBondContact O-CB 3.42Å; H1662-V1666 PolarHBondContact O-N 3.14Å; H1662-H1667 AromaticContact CE1-CD2 3.76Å; H1662-H1667 AromaticContact CE1-NE2 3.52Å; H1662-H1667 AromaticContact NE2-CD2 3.34Å; H1662-H1667 PolarHBondContact NE2-CD2 3.01Å; H1662-H1667 VanDerWaalsContact NE2-CD2 3.34Å; H1662-H1667 AromaticContact NE2-NE2 3.21Å; H1662-H1667 PolarHBondContact NE2-NE2 3.4Å |
| 1663 | L | 94.4 | Very high | 82.8 | Confident | 50 Ų | 50 | 90 Ų | 90 | 26% | 0.262 | 45% | 0.451 | S | S | . | . | I | π-helix | trans | -54.8 | -36.6 | 173.3 | -71.9 | 170.4 | 0 | 0 | 0 | 112 | C1646 L1659 H1667 K1668 | C1646-L1663 VanDerWaalsContact SG-CD2 3.58Å; L1659-L1663 HydrophobicContact CD1-CD1 4.01Å; L1659-L1663 HydrophobicContact CD1-CG 3.98Å; L1659-L1663 HydrophobicContact CG-CD1 3.99Å; L1659-L1663 HydrophobicContact CG-CG 4.4Å; L1659-L1663 WeakPolarHBondContact O-CB 3.43Å; L1659-L1663 WeakPolarHBondContact O-CG 3.44Å; L1659-L1663 PolarHBondContact O-N 2.73Å; L1663-H1667 HydrophobicContact CD2-CB 4.47Å; L1663-H1667 WeakPolarHBondContact O-CB 3.28Å; L1663-H1667 PolarHBondContact O-N 3.46Å; L1663-K1668 PolarHBondContact O-N 2.9Å |
| 1664 | K | 94.5 | Very high | 82.2 | Confident | 102 Ų | 102 | 92.2 Ų | 92.2 | 44% | 0.443 | 46% | 0.464 | S | S | . | . | I | π-helix | trans | -76.6 | -26.4 | 176.9 | -171.7 | 165.9 | -173.9 | 178.5 | 0 | 114.7 | K1660 R1661 H1662 K1668 | K1660-K1664 WeakPolarHBondContact O-CB 3.43Å; K1660-K1664 PolarHBondContact O-N 3.39Å; R1661-K1664 PolarHBondContact O-N 3.21Å; H1662-K1664 PolarHBondContact O-N 2.92Å; K1664-K1668 VanDerWaalsContact O-O 3.05Å |
| 1665 | L | 93.1 | Very high | 81.5 | Confident | 122 Ų | 122 | 93 Ų | 93 | 64% | 0.639 | 47% | 0.473 | S | S | * | . | I | π-helix | trans | -103.7 | -19.7 | -173.6 | -68.6 | 176.8 | 0 | 0 | 0 | 114.4 | R1661 H1662 | R1661-L1665 HydrophobicContact CG-CD1 3.69Å; R1661-L1665 HydrophobicContact CG-CG 4.37Å; R1661-L1665 WeakPolarHBondContact O-CB 3.42Å; R1661-L1665 VanDerWaalsContact O-CG 3.26Å; R1661-L1665 WeakPolarHBondContact O-CG 3.2Å; R1661-L1665 PolarHBondContact O-N 3.22Å; H1662-L1665 PolarHBondContact O-N 2.8Å |
| 1666 | V | 91.8 | Very high | 80.7 | Confident | 78 Ų | 78 | 94.5 Ų | 94.5 | 47% | 0.473 | 48% | 0.482 | S | S | . | . | I | π-helix | trans | -114.4 | -32.6 | -174.8 | -178.1 | 0 | 0 | 0 | 0 | 112 | H1662 | H1662-V1666 WeakPolarHBondContact ND1-CG2 3.4Å; H1662-V1666 WeakPolarHBondContact O-CB 3.42Å; H1662-V1666 PolarHBondContact O-N 3.14Å |
| 1667 | H | 90.5 | Very high | 79.9 | Confident | 46 Ų | 46 | 97.5 Ų | 97.5 | 21% | 0.213 | 49% | 0.493 | C | S | . | . | I | π-helix | trans | -113.9 | -49.5 | -167.2 | -73.1 | -61.1 | 0 | 0 | 0 | 113 | Q1648 C1649 H1662 L1663 N1669 | Q1648-H1667 WeakPolarHBondContact CB-CE1 3.44Å; Q1648-H1667 WeakPolarHBondContact CB-ND1 3.3Å; Q1648-H1667 PolarHBondContact O-CE1 3.3Å; Q1648-H1667 PolarHBondContact OE1-ND1 3.13Å; C1649-H1667 PolarHBondContact SG-NE2 2.95Å; H1662-H1667 AromaticContact CE1-CD2 3.76Å; H1662-H1667 AromaticContact CE1-NE2 3.52Å; H1662-H1667 AromaticContact NE2-CD2 3.34Å; H1662-H1667 PolarHBondContact NE2-CD2 3.01Å; H1662-H1667 VanDerWaalsContact NE2-CD2 3.34Å; H1662-H1667 AromaticContact NE2-NE2 3.21Å; H1662-H1667 PolarHBondContact NE2-NE2 3.4Å; L1663-H1667 HydrophobicContact CD2-CB 4.47Å; L1663-H1667 WeakPolarHBondContact O-CB 3.28Å; L1663-H1667 PolarHBondContact O-N 3.46Å; H1667-N1669 PolarHBondContact O-N 3.48Å; H1667-N1669 VanDerWaalsContact O-N 3.09Å |
| 1668 | K | 79.8 | Confident | 79 | Confident | 120 Ų | 120 | 98.9 Ų | 98.9 | 52% | 0.522 | 49% | 0.491 | S | S | . | . | trans | -80.2 | 86.1 | 167.2 | -65.6 | -172.2 | 161.6 | -133.5 | 0 | 109.1 | L1663 K1664 E1670 | L1663-K1668 PolarHBondContact O-N 2.9Å; K1664-K1668 VanDerWaalsContact O-O 3.05Å; K1668-E1670 IonicContact NZ-OE1 3.55Å; K1668-E1670 PolarHBondContact O-N 3.47Å | ||
| 1669 | N | 63.7 | Low | 77.8 | Confident | 137 Ų | 137 | 102.6 Ų | 102.6 | 73% | 0.733 | 51% | 0.509 | S | S | * | . | trans | -69.7 | 42.8 | 167.6 | -71.9 | -26.7 | 0 | 0 | 0 | 112.3 | H1667 C1671 | H1667-N1669 PolarHBondContact O-N 3.48Å; H1667-N1669 VanDerWaalsContact O-N 3.09Å; N1669-C1671 VanDerWaalsContact C-N 3.25Å; N1669-C1671 PolarHBondContact O-N 3.42Å | ||
| 1670 | E | 52.9 | Low | 76.5 | Confident | 113 Ų | 113 | 108.1 Ų | 108.1 | 53% | 0.528 | 54% | 0.536 | S | S | . | . | trans | -65.2 | 90.9 | 159.6 | -73.8 | 170.7 | -152.4 | 0 | 0 | 106.8 | K1668 I1672 | K1668-E1670 IonicContact NZ-OE1 3.55Å; K1668-E1670 PolarHBondContact O-N 3.47Å; E1670-I1672 PolarHBondContact O-N 3.26Å | ||
| 1671 | C | 41.2 | Very low | 75 | Confident | 106 Ų | 106 | 105.4 Ų | 105.4 | 72% | 0.716 | 53% | 0.529 | S | S | * | . | trans | -61.7 | 101.1 | -177.7 | -148.3 | 0 | 0 | 0 | 0 | 109.9 | N1669 L1673 | N1669-C1671 VanDerWaalsContact C-N 3.25Å; N1669-C1671 PolarHBondContact O-N 3.42Å; C1671-L1673 VanDerWaalsContact C-N 3.25Å; C1671-L1673 PolarHBondContact O-N 3.26Å | ||
| 1672 | I | 44 | Very low | 73.4 | Confident | 135 Ų | 135 | 101.6 Ų | 101.6 | 69% | 0.692 | 53% | 0.525 | S | S | * | . | trans | -78.9 | 80.3 | 172.7 | -51.6 | 179.4 | 0 | 0 | 0 | 108.5 | E1670 | E1670-I1672 PolarHBondContact O-N 3.26Š| ||
| 1673 | L | 39.6 | Very low | 71.4 | Confident | 184 Ų | 184 | 108.5 Ų | 108.5 | 96% | 0.963 | 56% | 0.562 | S | S | * | * | trans | -95.9 | 0 | 164.2 | -82.3 | 165.7 | 0 | 0 | 0 | 111.5 | C1671 | C1671-L1673 VanDerWaalsContact C-N 3.25Å; C1671-L1673 PolarHBondContact O-N 3.26Å |
Retrieved 1,673 of 1,673 residues in 1667.5 ms
(Link to these results)